Sf_category,Sf_framecode,Entry_ID,Sf_ID,ID,Name,Proton_shifts_flag,Carbon_shifts_flag,Nitrogen_shifts_flag,Phosphorus_shifts_flag,Other_shifts_flag,Details chem_shift_reference,chem_shift_reference_par_set_one,1000,12,1,,,,,,, chem_shift_reference,ref_1,10001,32,1,,,,,,,"The 13C chemical shift was referenced to the methyl signal of hexamethyl benzene resonating at 19.2 ppm which gives chemical shift relative to DSS (2, 2- dimethylsilapentane-5-sulfonic acid) (Morcombe and Zilm, 2003). The 15N chemical shift reference was computed from the ratios of resonance frequencies in the IUPAC recommendations." chem_shift_reference,reference_1,10002,45,1,,,,,,, chem_shift_reference,reference_1,10004,70,1,,,,,,, chem_shift_reference,DSS,10005,99,1,,,,,,, chem_shift_reference,reference_1,10006,118,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios" chem_shift_reference,reference_1,10008,137,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were alculated based on their gyromagnetic ratios" chem_shift_reference,reference_1,10009,156,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios" chem_shift_reference,chem_shift_reference_par_set_one,1001,169,1,,,,,,, chem_shift_reference,default_reference,10010,191,1,,,,,,, chem_shift_reference,reference_1,10011,210,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,10012,229,1,,,,,,, chem_shift_reference,reference_1,10013,250,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios" chem_shift_reference,reference_1,10014,270,1,,,,,,, chem_shift_reference,chemical_shift_reference,10015,294,1,,,,,,, chem_shift_reference,reference_1,10016,317,1,,,,,,, chem_shift_reference,reference_1,10017,343,1,,,,,,, chem_shift_reference,Chem_shift_reference_1,10018,366,1,,,,,,, chem_shift_reference,chemical_shift_referencing,10019,392,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1002,405,1,,,,,,, chem_shift_reference,reference_1,10021,427,1,,,,,,,"The 13C chemical shift was referenced to the methylene signal of adamantane resonating at 31.5 ppm which gives chemical shift relative to DSS. The 15N chemical shift reference was computed from the ratios of resonance frequencies in the IUPAC recommendations." chem_shift_reference,reference_1,10022,448,1,,,,,,, chem_shift_reference,reference_1,10023,468,1,,,,,,, chem_shift_reference,cs_reference_1,10024,488,1,,,,,,, chem_shift_reference,reference_1,10025,506,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10026,525,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10027,554,1,,,,,,, chem_shift_reference,reference_1,10028,572,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 298 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios" chem_shift_reference,reference_1,10029,591,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1003,604,1,,,,,,, chem_shift_reference,reference_1,10030,623,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10031,642,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10032,661,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10033,680,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10034,699,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10035,718,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10036,737,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10037,756,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10038,777,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10039,796,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1004,809,1,,,,,,, chem_shift_reference,reference_1,10040,828,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10041,847,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1099,7279,1,,,,,,, chem_shift_reference,reference_1,10042,866,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10043,885,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10044,904,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10045,923,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10046,942,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10047,961,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10048,980,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10049,999,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1005,1012,1,,,,,,, chem_shift_reference,reference_1,10050,1031,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10051,1050,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10052,1074,1,,,,,,, chem_shift_reference,reference_1,10053,1101,1,,,,,,, chem_shift_reference,reference_1,10054,1120,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10055,1139,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10056,1158,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10057,1179,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10058,1198,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10059,1217,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1006,1230,1,,,,,,, chem_shift_reference,reference_1,10060,1249,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10061,1268,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,10062,1286,1,,,,,,, chem_shift_reference,reference_1,10063,1305,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10064,1325,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10065,1344,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10066,1363,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10067,1382,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10068,1401,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10069,1420,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1007,1433,1,,,,,,, chem_shift_reference,reference_1,10070,1452,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10071,1471,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10072,1490,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10073,1510,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11075,8682,1,,,,,,, chem_shift_reference,reference_1,10074,1529,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10075,1549,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10076,1568,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10077,1588,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_referencing_1,10078,1612,1,,,,,,, chem_shift_reference,reference_1,10079,1631,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1008,1644,1,,,,,,, chem_shift_reference,reference_1,10080,1663,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10081,1682,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10082,1701,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10083,1720,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10084,1740,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10085,1759,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10086,1778,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10087,1797,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10088,1816,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10089,1835,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1009,1848,1,,,,,,, chem_shift_reference,reference_1,10090,1867,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10091,1886,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10092,1906,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10093,1926,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10094,1946,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10095,1965,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_referencing_1,10096,1987,1,,,,,,, chem_shift_reference,reference_1,10097,2007,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10098,2028,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10099,2048,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1010,2061,1,,,,,,, chem_shift_reference,reference_1,10100,2081,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10101,2100,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10102,2122,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10103,2141,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10104,2159,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1100,7293,1,,,,,,, chem_shift_reference,reference_1,10105,2178,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10106,2197,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10107,2216,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10108,2236,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10109,2254,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1011,2267,1,,,,,,, chem_shift_reference,reference_1,10110,2287,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10111,2305,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10112,2323,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10113,2342,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10114,2361,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10115,2380,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10116,2398,1,,,,,,, chem_shift_reference,reference_1,10117,2416,1,,,,,,, chem_shift_reference,reference_1,10118,2444,1,,,,,,, chem_shift_reference,reference_1,10119,2462,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1012,2475,1,,,,,,, chem_shift_reference,reference_1,10120,2494,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10121,2513,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10122,2532,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10123,2551,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10124,2570,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10125,2587,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10126,2604,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10127,2621,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10128,2639,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10129,2657,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1013,2670,1,,,,,,, chem_shift_reference,reference_1,10130,2688,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10131,2706,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,Ref_1,10132,2721,1,,,,,,, chem_shift_reference,Ref_1,10133,2736,1,,,,,,, chem_shift_reference,Ref_1,10134,2751,1,,,,,,, chem_shift_reference,Ref_1,10135,2766,1,,,,,,, chem_shift_reference,reference_1,10136,2784,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,L-PGDS_reference,10137,2797,1,,,,,,, chem_shift_reference,reference_1,10138,2818,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10139,2843,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1014,2856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11000,7311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11076,8709,1,,,,,,, chem_shift_reference,reference_1,10140,2878,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10141,2896,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10142,2914,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10143,2932,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10144,2952,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10145,2972,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10146,2990,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10147,3008,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10148,3028,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10149,3046,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1015,3059,1,,,,,,, chem_shift_reference,reference_1,10150,3077,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10151,3097,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10152,3117,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10153,3137,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10154,3157,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10155,3177,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10156,3197,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10157,3217,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10158,3237,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10159,3255,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1016,3268,1,,,,,,, chem_shift_reference,reference_1,10160,3286,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10161,3304,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10162,3322,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10163,3340,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10164,3358,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10165,3376,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10166,3396,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10167,3416,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10168,3436,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10169,3456,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1017,3469,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1107,8585,1,,,,,,, chem_shift_reference,reference_1,10170,3489,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10171,3509,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10172,3529,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10173,3549,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10174,3569,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10175,3589,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10176,3609,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10177,3629,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10178,3649,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10179,3669,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1018,3682,1,,,,,,, chem_shift_reference,reference_1,10180,3702,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10181,3722,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10182,3742,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10183,3762,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10184,3782,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10185,3802,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10186,3822,1,,,,,,,"""Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10187,3842,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10188,3862,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10189,3882,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1019,3895,1,,,,,,, chem_shift_reference,reference_1,10190,3915,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10191,3935,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10192,3955,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10193,3973,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10194,3991,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10195,4009,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10196,4029,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10197,4049,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10198,4069,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10199,4089,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,102,4102,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1020,4115,1,,,,,,, chem_shift_reference,reference_1,10200,4135,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10201,4155,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10202,4175,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10203,4195,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10204,4215,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10205,4235,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10206,4255,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10207,4275,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10208,4295,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10209,4315,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1021,4328,1,,,,,,, chem_shift_reference,reference_1,10210,4348,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10211,4366,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10212,4384,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10213,4403,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10214,4422,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10215,4440,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10216,4460,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10217,4480,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10218,4500,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10219,4520,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1022,4533,1,,,,,,, chem_shift_reference,reference_1,10220,4553,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10221,4573,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10222,4593,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10223,4613,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10224,4633,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10225,4653,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10226,4673,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10227,4693,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10228,4713,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10229,4733,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1023,4746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11070,8601,1,,,,,,, chem_shift_reference,reference_1,10230,4766,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10231,4786,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10232,4806,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10233,4826,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10234,4846,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10235,4864,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10236,4883,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10237,4901,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10238,4919,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10239,4937,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1024,4951,1,,,,,,, chem_shift_reference,reference_1,10240,4969,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10241,4987,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10242,5005,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10243,5025,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10244,5045,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10245,5063,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10246,5083,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10247,5103,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10248,5121,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10249,5139,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1025,5152,1,,,,,,, chem_shift_reference,reference_1,10250,5170,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10251,5188,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10252,5206,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10253,5224,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10254,5242,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10255,5260,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10256,5278,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10257,5298,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10258,5316,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10259,5334,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11072,8619,1,,,,,,, chem_shift_reference,chemical_shift_reference,11073,8644,1,,,,,,, chem_shift_reference,reference_1,10260,5352,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10261,5370,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10262,5388,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10263,5406,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10264,5424,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10265,5442,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10266,5460,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10267,5478,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10268,5496,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10269,5514,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1027,5527,1,,,,,,, chem_shift_reference,reference_1,10270,5545,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10271,5563,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10272,5581,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10273,5599,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10274,5617,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10275,5635,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10276,5653,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10277,5671,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10278,5689,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10279,5707,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1028,5720,1,,,,,,, chem_shift_reference,reference_1,10280,5738,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10281,5756,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10282,5774,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10283,5792,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10284,5810,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10285,5828,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10286,5846,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10287,5864,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 98K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10288,5882,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10289,5900,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1029,5913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11074,8661,1,,,,,,, chem_shift_reference,reference_1,10290,5931,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10291,5949,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10292,5967,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10293,5985,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10294,6003,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10295,6021,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10296,6039,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10297,6057,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10298,6075,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10299,6093,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,103,6106,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1030,6119,1,,,,,,, chem_shift_reference,reference_1,10300,6137,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10301,6155,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10302,6173,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10303,6193,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10304,6213,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10305,6233,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10306,6253,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10307,6273,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10308,6293,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10309,6313,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1031,6326,1,,,,,,, chem_shift_reference,reference_1,10310,6346,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10311,6364,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10312,6382,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10313,6400,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10314,6418,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10315,6436,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10316,6454,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10317,6472,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios.""" chem_shift_reference,reference_1,10318,6490,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10319,6508,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1032,6521,1,,,,,,, chem_shift_reference,reference_1,10320,6539,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10321,6557,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10322,6575,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10323,6593,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10324,6611,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10325,6629,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10326,6647,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10327,6665,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10328,6683,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10329,6701,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1033,6714,1,,,,,,, chem_shift_reference,reference_1,10330,6732,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10331,6750,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10332,6768,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10333,6786,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10334,6804,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10335,6822,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10336,6856,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10337,6874,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,10338,6892,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1037,6905,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1039,6918,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,104,6931,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1042,6945,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1043,6959,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1044,6973,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1045,6987,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1046,7000,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1049,7013,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,105,7026,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1053,7039,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1056,7053,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1058,7068,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,106,7081,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1061,7094,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1062,7107,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1065,7120,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1066,7133,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,107,7146,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1071,7159,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1072,7172,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,108,7185,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,109,7198,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1093,7211,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1095,7226,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1096,7239,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1097,7252,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1098,7265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11001,7333,1,,,,,,,"Proton resonances were calibated with respect the signal of 2,2-dimethylsilapentane-5-sulfonic acid(DSS). Nitrogen chemical shifts were referenced indirectly to the 1H standard using a conversion factor derived from the ratio of NMR frequencies. Carbon resonances were calibrated using the signal of dioxane at 69.4 ppm (298K) as secondary reference." chem_shift_reference,chemical_shift_reference_1,11002,7350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11003,7367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11004,7384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11005,7402,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11006,7421,1,,,,,,,"Digital lock system by Brucker instrument was used to set chemical shift reference. The DHO signal showed 4.704 ppm at 300K." chem_shift_reference,chemical_shift_reference_1,11007,7444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11008,7467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11009,7486,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1101,7499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11010,7524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11011,7540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11012,7562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11013,7577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11014,7608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11016,7624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11017,7663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11018,7684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11019,7707,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1102,7720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11020,7747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11021,7766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11022,7782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11024,7800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11026,7818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11027,7834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11028,7854,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11029,7877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11030,7899,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11031,7917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11032,7936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11033,7955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11034,7972,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11035,7988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11036,8007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11037,8023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11038,8045,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1104,8058,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11040,8077,1,,,,,,,"We have used the water signal to locate the midpoint of the 1H axis, and then have given it a reference value where the temperature and the pH have been taken into account. In this case the value is 4.793 ppm. For the 13C axis, we then calculated the position of the transmitter using the DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the carbonyl carbon region of the protein 13C spectrum. The midpoint of the aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the spectrum. For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H midpoint using the indirect shift ratio of liquid ammonia, 0.101329118." chem_shift_reference,chemical_shift_reference_1,11041,8093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11042,8113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11043,8131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11044,8148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11045,8163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11046,8178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11047,8193,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11048,8208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11049,8223,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1105,8236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11050,8250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11051,8266,1,,,,,,,separate tube (no insert) similar to the experimental sample tube chem_shift_reference,chemical_shift_reference_1,11052,8282,1,,,,,,,separate tube (no insert) similar to the experimental sample tube chem_shift_reference,chemical_shift_reference_1,11053,8300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11054,8321,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11055,8335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11056,8353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11057,8372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11058,8390,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11059,8409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11060,8430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11061,8452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11062,8468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11063,8482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11064,8505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11065,8526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11067,8542,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11068,8556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11069,8570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11077,8732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11078,8750,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1108,8766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11080,8783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11081,8812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11082,8835,1,,,,,,, chem_shift_reference,reference_1,11083,8853,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11084,8871,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11085,8889,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11086,8907,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11087,8925,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11088,8943,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11089,8961,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1109,8977,1,,,,,,, chem_shift_reference,reference_1,11090,8995,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11091,9013,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11092,9031,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11093,9051,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11094,9070,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11095,9088,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11096,9106,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11097,9124,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11098,9142,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11099,9160,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1110,9176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11100,9194,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11101,9212,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11102,9230,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11103,9248,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11104,9266,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11105,9284,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11106,9302,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11107,9320,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11108,9338,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11109,9356,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1111,9372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11423,15424,1,,,,,,, chem_shift_reference,reference_1,11110,9390,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11111,9408,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11112,9426,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11113,9444,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11114,9462,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11115,9486,1,,,,,,, chem_shift_reference,reference_1,11116,9504,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11117,9522,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11118,9540,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11119,9558,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1112,9574,1,,,,,,, chem_shift_reference,reference_1,11120,9592,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11121,9610,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11122,9628,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11123,9646,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11124,9664,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11125,9682,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11126,9700,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11127,9718,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11128,9736,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11129,9754,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1113,9770,1,,,,,,, chem_shift_reference,reference_1,11130,9790,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11131,9810,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11132,9828,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11133,9846,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11134,9864,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11135,9882,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11136,9900,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11137,9918,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11138,9936,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11139,9954,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1114,9970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11424,15443,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11425,15458,1,,,,,,, chem_shift_reference,reference_1,11140,9988,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11141,10006,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11142,10024,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11143,10042,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11144,10060,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11145,10078,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11146,10098,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11147,10116,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11148,10134,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11149,10150,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1115,10166,1,,,,,,, chem_shift_reference,reference_1,11150,10184,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11151,10204,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11152,10222,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11153,10240,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11154,10258,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11155,10275,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11156,10293,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11157,10313,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11158,10331,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11159,10351,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1116,10367,1,,,,,,, chem_shift_reference,reference_1,11160,10385,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11161,10405,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11162,10425,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11163,10445,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11164,10465,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11165,10485,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11166,10505,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11167,10525,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11168,10545,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11169,10565,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1117,10581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11426,15476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11427,15493,1,,,,,,, chem_shift_reference,reference_1,11170,10601,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11171,10621,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11172,10640,1,,,,,,,"The 13C chemical shift was referenced to DSS by using the methine carbon signal of adamantane under MAS at 40.5 ppm relative to DSS. The 15N chemical shift was referenced to that of liquid NH3 deduced from the 13C chemical shift using the 15N/13C ratio following the IUPAC recommendation." chem_shift_reference,reference_1,11173,10658,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11175,10674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11176,10692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11177,10706,1,,,,,,, chem_shift_reference,reference_1,11178,10724,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11179,10742,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11180,10760,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11181,10778,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11182,10797,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11183,10815,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11184,10833,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11185,10851,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11186,10869,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11187,10887,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11188,10905,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11189,10923,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11190,10942,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11191,10960,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11192,10978,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11193,10996,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11194,11014,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11195,11032,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11196,11050,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11197,11068,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11198,11086,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11199,11104,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,112,11117,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1120,11130,1,,,,,,, chem_shift_reference,reference_1,11200,11148,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11201,11166,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11428,15508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11429,15522,1,,,,,,, chem_shift_reference,reference_1,11202,11184,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11203,11202,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11204,11220,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11205,11240,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11206,11259,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11207,11278,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11208,11297,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11209,11315,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11210,11333,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11211,11352,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11212,11371,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11213,11389,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11214,11407,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11215,11425,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11216,11444,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11217,11462,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11218,11480,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11219,11499,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11220,11517,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11221,11535,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11222,11553,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11223,11571,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11224,11589,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11225,11607,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11226,11625,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11227,11643,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11228,11661,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11229,11679,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11230,11697,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11231,11716,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11232,11734,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11430,15536,1,,,,,,, chem_shift_reference,reference_1,11233,11752,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11234,11772,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11235,11790,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11236,11808,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11237,11829,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11238,11849,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11239,11869,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11240,11887,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11242,11905,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11244,11923,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11245,11941,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11246,11959,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11247,11978,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11248,11996,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11249,12017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11250,12038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11251,12056,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11252,12075,1,,,,,,, chem_shift_reference,reference_1,11253,12093,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11254,12111,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11255,12129,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11256,12147,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11257,12165,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11258,12183,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11259,12201,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11260,12219,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11261,12237,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11262,12255,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11263,12273,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11264,12291,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11265,12309,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11266,12327,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11267,12345,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11268,12363,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11269,12381,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1127,12394,1,,,,,,, chem_shift_reference,reference_1,11270,12412,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11271,12430,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11272,12448,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11273,12466,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11274,12484,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11275,12502,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11276,12520,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11277,12538,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11278,12556,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11279,12574,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1128,12587,1,,,,,,, chem_shift_reference,reference_1,11280,12605,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11281,12623,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11282,12641,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11283,12659,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11284,12677,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11285,12695,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11286,12713,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11287,12733,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11288,12751,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11289,12771,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1129,12784,1,,,,,,, chem_shift_reference,reference_1,11290,12802,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11291,12820,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11292,12838,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11293,12858,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11294,12876,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11295,12894,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11296,12912,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11297,12930,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11298,12948,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11299,12966,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11300,12984,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11301,13002,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11302,13022,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11303,13040,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11304,13058,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11305,13078,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11306,13098,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11307,13118,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11308,13138,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11309,13158,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11310,13176,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11311,13194,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11312,13214,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11313,13234,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11314,13254,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11315,13274,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11316,13294,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11317,13314,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11318,13332,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11319,13352,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11320,13370,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11321,13390,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11322,13408,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11323,13428,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11324,13448,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11325,13468,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11326,13488,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11327,13508,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11328,13528,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11431,15550,1,,,,,,, chem_shift_reference,reference_1,11329,13546,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1133,13559,1,,,,,,, chem_shift_reference,reference_1,11330,13577,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11331,13597,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11332,13617,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11333,13637,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11334,13655,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11335,13675,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11336,13695,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11337,13713,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11338,13731,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11339,13751,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1134,13764,1,,,,,,, chem_shift_reference,reference_1,11340,13784,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11341,13804,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11342,13824,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11343,13844,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11344,13864,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11345,13882,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11346,13900,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11347,13920,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11348,13938,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11349,13958,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1135,13971,1,,,,,,, chem_shift_reference,reference_1,11350,13991,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11351,14009,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11352,14029,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11353,14049,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11354,14069,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11355,14087,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11356,14105,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11357,14123,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11358,14144,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11359,14166,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1136,14179,1,,,,,,, chem_shift_reference,reference_1,11360,14201,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11361,14223,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11362,14243,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11363,14263,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11364,14283,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11365,14304,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11366,14324,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11367,14343,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11368,14363,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11369,14383,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1137,14396,1,,,,,,, chem_shift_reference,reference_1,11370,14410,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11371,14424,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11372,14438,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11373,14452,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11374,14467,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11375,14482,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11376,14496,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11377,14516,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11378,14536,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11379,14556,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1138,14569,1,,,,,,, chem_shift_reference,reference_1,11380,14589,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11381,14609,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11382,14629,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11383,14649,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11384,14669,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11385,14689,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11386,14709,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11387,14729,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11388,14747,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11389,14765,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1139,14778,1,,,,,,, chem_shift_reference,reference_1,11390,14796,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11391,14816,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11392,14836,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11393,14856,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11394,14876,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11395,14896,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11396,14916,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11397,14934,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11398,14952,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11399,14970,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,114,14983,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1140,14996,1,,,,,,, chem_shift_reference,reference_1,11400,15014,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11401,15034,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11402,15052,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11403,15072,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11404,15090,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11405,15109,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11406,15129,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11407,15149,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11408,15170,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11409,15190,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11410,15210,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11411,15230,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11412,15250,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11413,15269,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11414,15289,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11415,15309,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11416,15329,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,reference_1,11417,15347,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11419,15363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11420,15379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11422,15403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11434,15565,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11435,15581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11436,15596,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11437,15617,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11438,15637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11439,15651,1,,,,,,,TSP chem_shift_reference,chem_shift_reference_par_set_one,1144,15664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11440,15682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11441,15696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11442,15712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11443,15732,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1145,15745,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11450,15762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11451,15779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11452,15799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11453,15813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11454,15830,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11456,15846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11457,15862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11458,15876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11459,15891,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11460,15906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11461,15921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11462,15936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11463,15956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11466,15970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11467,15984,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11468,16003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11469,16026,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1147,16041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11470,16066,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11471,16081,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11472,16102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11473,16117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11474,16137,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11475,16157,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11476,16177,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11477,16197,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11478,16217,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11479,16237,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chem_shift_reference_par_set_one,1148,16252,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11480,16272,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11481,16292,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11482,16312,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11483,16332,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11484,16352,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11485,16372,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11486,16392,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11487,16412,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11488,16432,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_1,11489,16454,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1149,16469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11490,16486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11491,16505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11492,16523,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11493,16538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11494,16553,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11495,16570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11496,16591,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11497,16609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11498,16626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11499,16645,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,115,16658,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1150,16673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11500,16692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11501,16711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11502,16737,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11504,16757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11505,16774,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,11506,16796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11507,16812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11508,16839,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1151,16852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11511,16867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11512,16882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11513,16897,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11514,16911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11515,16925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11516,16943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11519,16960,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1152,16973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11520,16990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11521,17007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11522,17021,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11523,17045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11524,17058,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11525,17076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11526,17092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11527,17107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11528,17128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11529,17149,1,,,,,,,Chemical shift correction using NMRPipe Bruker program chem_shift_reference,chem_shift_reference_par_set_one,1153,17162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11530,17176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11531,17200,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11532,17221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11534,17240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11535,17256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11536,17272,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11537,17288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11538,17304,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11539,17320,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1154,17333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11540,17350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11541,17367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11542,17382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11543,17401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11544,17425,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11545,17440,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11546,17458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11547,17475,1,,,,,,,"DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid)" chem_shift_reference,chemical_shift_reference_1,11548,17496,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11549,17515,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1155,17528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11550,17543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11551,17561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11552,17579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11553,17597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11554,17615,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11555,17631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11556,17647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11557,17664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11558,17681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11559,17701,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1156,17714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11560,17734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11561,17753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11562,17772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11563,17791,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11564,17804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11565,17818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11566,17832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11567,17846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11568,17860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11569,17881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11570,17912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11572,17929,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11573,17947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11574,17964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11575,17981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11578,18004,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1158,18018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11580,18033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11581,18048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11582,18063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11583,18079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11584,18093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11585,18107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11587,18127,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11588,18147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11589,18163,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1159,18176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11590,18201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11591,18218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11592,18236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11593,18251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11594,18275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11595,18290,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11596,18307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11597,18328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11599,18348,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,116,18361,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1160,18374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11601,18389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11607,18409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11608,18430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,11609,18446,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1161,18460,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1162,18473,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1163,18486,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1164,18499,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1165,18512,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1166,18525,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1167,18538,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1168,18551,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,117,18564,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1170,18580,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1171,18595,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1174,18608,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1175,18622,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1176,18636,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1177,18650,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1178,18663,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1179,18676,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1181,18689,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1182,18702,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1183,18715,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1184,18728,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1192,18743,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1194,18759,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1198,18772,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,120,18785,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1200,18798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12000,18812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12002,18826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12003,18849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12009,18869,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1201,18882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12010,18899,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12011,18916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12014,18931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12016,18945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12018,18960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12019,18976,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1202,18989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12020,19004,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12021,19019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12022,19036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12024,19052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12026,19069,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1203,19082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12032,19103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12033,19117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12035,19133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12036,19149,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12038,19165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12039,19181,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1204,19194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12040,19209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,12041,19223,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1205,19236,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1206,19249,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1207,19262,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1208,19275,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1209,19288,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,121,19301,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1210,19314,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1211,19327,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1212,19340,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1213,19353,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1214,19366,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1215,19379,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1216,19392,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1217,19405,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1218,19418,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1219,19431,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,122,19444,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1220,19457,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1221,19470,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1222,19483,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1225,19496,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1226,19509,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1227,19522,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1228,19535,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,123,19548,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1230,19561,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,126,19574,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,127,19587,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,131,19603,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,132,19616,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1323,19629,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1324,19642,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,133,19655,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1333,19668,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1334,19681,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1336,19694,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1337,19707,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1338,19720,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1339,19733,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1343,19746,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1344,19759,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1346,19772,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1347,19785,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1348,19798,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1358,19811,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,136,19824,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1360,19837,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1374,19850,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1375,19863,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1376,19876,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1377,19889,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1378,19902,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1379,19915,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1381,19928,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,139,19941,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1393,19955,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1394,19969,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1396,19982,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1397,19995,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1398,20008,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1399,20021,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,140,20034,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1400,20047,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1403,20059,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1404,20075,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,141,20088,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1413,20101,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1414,20114,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1416,20128,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,142,20141,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1439,20154,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,144,20168,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1440,20181,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1441,20194,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1442,20207,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1443,20220,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1444,20233,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1445,20248,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1446,20263,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1447,20276,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1448,20289,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1449,20302,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1450,20315,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1451,20328,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1452,20341,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1453,20354,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1454,20367,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1455,20380,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1457,20393,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1459,20406,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,146,20420,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1461,20433,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1463,20446,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1465,20459,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1467,20472,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1469,20485,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1471,20498,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1474,20511,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1475,20525,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1476,20538,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1477,20551,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1478,20564,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1479,20577,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,148,20590,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1480,20603,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1481,20617,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1482,20631,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1483,20644,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1484,20657,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1485,20670,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1486,20684,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,1487,20698,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,149,20711,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1494,20724,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1495,20737,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1496,20750,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1497,20763,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,150,20776,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1500,20789,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15000,20814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15001,20834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15002,20858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15003,20880,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15007,20896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15008,20910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15009,20924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15010,20938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15011,20952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15012,20966,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15013,20989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15014,21012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15016,21035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15019,21051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15020,21071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15021,21092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15023,21108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15025,21122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15026,21148,1,,,,,,,4.866 ppm at 15 degree for HDO was used reference chem_shift_reference,chemical_shift_reference_1,15027,21171,1,,,,,,,4.866 ppm for HDO was used for calibration at 288.15K chem_shift_reference,chemical_shift_reference_1,15028,21188,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1503,21202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15031,21219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15032,21235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15033,21251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15034,21266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15035,21282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15036,21297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15037,21311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15038,21327,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15039,21346,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15040,21361,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15041,21376,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15042,21391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15043,21406,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15044,21421,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15045,21437,1,,,,,,, chem_shift_reference,DSS,15046,21451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15047,21468,1,,,,,,, chem_shift_reference,chemical_shift_reference,15048,21489,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15049,21503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15050,21520,1,,,,,,,Chemical shifts were measure for the sample 2 in presence od DPC micelles chem_shift_reference,chemical_shift_reference_1,15051,21535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15052,21550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15053,21565,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15054,21580,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15055,21603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15056,21628,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15057,21646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15058,21666,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15059,21682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15060,21696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15061,21718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15063,21739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15064,21760,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15065,21787,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15066,21812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15067,21837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15068,21857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15069,21874,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15070,21889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15071,21904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15072,21923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15073,21940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15074,21959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15075,21977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15076,21992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15077,22007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15078,22022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15079,22047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15080,22070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15081,22092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15082,22106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15083,22131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15084,22156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15085,22177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15086,22196,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15087,22213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15088,22231,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15089,22259,1,,,,,,, chem_shift_reference,chemical_shift_reference,15090,22285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15091,22303,1,,,,,,,"H1:DSS(0.0ppm) C13: 13C-acetate(25.85ppm) N15: 15N-urea(78.98ppm)" chem_shift_reference,chemical_shift_reference_1,15092,22318,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15093,22334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15094,22353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15095,22371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15097,22388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15098,22407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15099,22421,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,151,22434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15100,22457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15101,22472,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15102,22488,1,,,,,,,DSS as 0 ppm 1H chemical shift chem_shift_reference,chemical_shift_reference_1,15103,22506,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15104,22524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15105,22541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15106,22558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15107,22575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15108,22590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15109,22608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15110,22630,1,,,,,,, chem_shift_reference,chem_shift_reference_1,15111,22647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15112,22669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15113,22695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15114,22714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15115,22732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15116,22751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15117,22770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15118,22785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15120,22815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15121,22829,1,,,,,,,All chemical shifts referenced indirectly to DSS. 13C chemical shifts are not corrected for the 2H isotope affect. chem_shift_reference,chemical_shift_reference_1,15122,22849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15123,22865,1,,,,,,, chem_shift_reference,external_DSS,15124,22882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15125,22900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15126,22919,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15127,22939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15128,22968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15129,22985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15130,23000,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15131,23017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15132,23035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15133,23054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15134,23074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15135,23090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15136,23106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15137,23123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15138,23141,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15139,23174,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15140,23194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15141,23208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15142,23225,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15143,23244,1,,,,,,,"The chemical shift of water at 20C has previously been determined with respect to dioxane at 3.743ppm." chem_shift_reference,chemical_shift_reference_1,15145,23307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15148,23324,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15149,23339,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1515,23352,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15150,23374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15152,23392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15153,23412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15154,23443,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15156,23464,1,,,,,,,"All shifts are referenced to the CH peak of solid adamantane at 40.48ppm accd. to the recomendations of Morcombe and Zilm (JMR 165, 165-174)." chem_shift_reference,chemical_shift_reference_2,15156,23465,2,,,,,,,"Reference to DSS indirectly, using adamantane low field 13C peak (40.48 ppm) as a secondary reference, according to C. R. Morcomebe and K. W. Zilm, 2003, J. Magn. Reson., 162, 479-486." chem_shift_reference,chemical_shift_reference_1,15157,23486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15158,23511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15159,23529,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1516,23545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15160,23568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15161,23584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15162,23601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15163,23622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15164,23637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15166,23653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15167,23697,1,,,,,,, chem_shift_reference,chemical-shift-reference-1,15168,23719,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15169,23737,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1517,23750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15170,23767,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15171,23784,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15172,23807,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15173,23825,1,,,,,,, chem_shift_reference,chemical_shift_reference,15174,23841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15175,23859,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15176,23876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15177,23895,1,,,,,,,referenced using internal standard DSS chem_shift_reference,chemical_shift_reference_1,15178,23910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15179,23926,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1518,23940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15180,23956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15189,24098,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1519,24112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15190,24137,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15192,24172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15193,24188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15194,24202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15195,24221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15196,24237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15197,24251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15198,24268,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15199,24282,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1520,24295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15200,24314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15201,24328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15202,24349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15203,24382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15204,24400,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15206,24417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15207,24438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15208,24463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15209,24485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15210,24507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15211,24527,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15212,24543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15213,24558,1,,,,,,,"Referenced 1H to internal TSP, N and C indirectly" chem_shift_reference,chemical_shift_reference_1,15214,24572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15215,24593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15217,24626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15218,24644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15219,24665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15221,24682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15222,24699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15223,24716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15224,24736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15225,24752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15226,24766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15227,24785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15228,24803,1,,,,,,, chem_shift_reference,proton,15229,24820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15230,24848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15231,24869,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15232,24884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15233,24900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15234,24916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15235,24931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15236,24947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15237,24963,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15238,24982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15239,25000,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15240,25020,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15241,25038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15242,25056,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15243,25074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15244,25090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15245,25104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15246,25118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15247,25135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15248,25151,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15249,25167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15250,25183,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15252,25203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15253,25221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15256,25278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15257,25302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15258,25350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15259,25378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15261,25399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15263,25417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15264,25437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15265,25458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15266,25476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15267,25492,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15268,25514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15269,25534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15270,25560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15271,25583,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15272,25604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15273,25624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15274,25641,1,,,,,,,referenced using tsp chem_shift_reference,chemical_shift_reference_1,15275,25661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15276,25680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15277,25702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15278,25725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15279,25743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15280,25758,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15281,25799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15282,25817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15283,25833,1,,,,,,,"All shifts are referenced to the CH peak of solid adamantane at 40.48ppm according to the recommendations of Morcombe and Zilm (J. Magn. Reson. 2003, 162, 479-486)." chem_shift_reference,chemical_shift_reference_1,15284,25849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15285,25864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15286,25879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15287,25894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15288,25915,1,,,,,,, chem_shift_reference,chemical_shift_reference,15289,25936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15290,25960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15291,25975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15292,25990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15293,26006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15294,26023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15295,26043,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15296,26061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15298,26076,1,,,,,,,"Indirect chemical shift reference to 1H, employing DSS as standard" chem_shift_reference,chemical_shift_reference,15299,26091,1,,,,,,, chem_shift_reference,chemical_shift_reference,15300,26112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15301,26139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15302,26155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15303,26172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15304,26189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15305,26206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15306,26226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15309,26242,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15312,26261,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15313,26277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15314,26297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15315,26316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15316,26330,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15317,26379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15318,26399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15319,26420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15320,26441,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15322,26457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15323,26472,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15324,26493,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15325,26509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15326,26525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15327,26543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15329,26568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15330,26584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15331,26607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15332,26623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15333,26644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15334,26668,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15335,26715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15336,26732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15337,26757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15338,26798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15339,26840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15340,26857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15341,26898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15342,26921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15343,26949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15344,26970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15345,26989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15346,27009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15347,27030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15348,27054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15349,27073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15350,27104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15351,27128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15352,27150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15353,27175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15354,27195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15355,27213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15356,27240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15357,27257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15358,27273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15359,27289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15360,27307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15361,27336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15362,27358,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15363,27379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15364,27398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15366,27424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15367,27439,1,,,,,,,H2O chem_shift_reference,chemical_shift_reference_1,15368,27454,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15369,27468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15370,27487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15371,27506,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15372,27528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15373,27555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15374,27577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15375,27602,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15376,27622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15377,27644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15378,27662,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15379,27677,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1538,27690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15380,27706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15381,27729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15382,27746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15383,27765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15384,27787,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15385,27805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15386,27843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15388,27861,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15389,27882,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1539,27895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15390,27912,1,,,,,,, chem_shift_reference,KIA7BRMBlist,15391,27930,1,,,,,,, chem_shift_reference,KIA7FBRMBlist,15392,27948,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15393,27981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15394,27997,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15395,28017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15396,28037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15397,28053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15398,28069,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15399,28084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15400,28103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15401,28122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15402,28143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15403,28157,1,,,,,,, chem_shift_reference,chemical_shift_reference_DSS,15404,28175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15405,28192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15406,28210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15407,28229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15408,28250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15409,28269,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1541,28282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15410,28298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15411,28321,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15412,28335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15413,28349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15415,28366,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15417,28396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15418,28420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15419,28439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1542,28456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15420,28472,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15421,28488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15422,28507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15423,28522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15424,28536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15425,28555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15426,28570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15427,28589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15429,28613,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1543,28626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15430,28647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15431,28661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15433,28688,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15434,28714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15435,28735,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15436,28749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15437,28772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15438,28793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15439,28812,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1544,28825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15440,28840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15441,28856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15442,28875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15443,28894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15444,28916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15446,28957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15447,28976,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15448,28991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15449,29009,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1545,29022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15450,29045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15451,29068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15452,29091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15453,29113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15454,29138,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15455,29163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15456,29188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15457,29215,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15458,29236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15459,29250,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1546,29263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15460,29277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15461,29294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15462,29313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15463,29334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15464,29349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15465,29368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15466,29387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15467,29409,1,,,,,,,19F for aluminum tetrafluoride ion chem_shift_reference,chemical_shift_reference_1,15468,29428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15469,29448,1,,,,,,, chem_shift_reference,chem_shift_reference,15470,29476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15471,29499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15473,29514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15474,29530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15475,29550,1,,,,,,,"Chemical shift referencing was done using the correction values provided by the REFCOR subroutine of the PREDITOR program (Wang and Wishart 2005, JBNMR 31, 143)." chem_shift_reference,chemical_shift_reference_1,15476,29576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15477,29599,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15478,29619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15479,29634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15480,29648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15481,29664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15482,29705,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15483,29724,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15485,29744,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15486,29761,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15487,29784,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15488,29806,1,,,,,,,"1H, 15N and 13C are referenced relative to the frequency of the 2H lock resonance of water" chem_shift_reference,chemical_shift_reference_1,15489,29830,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15490,29846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15491,29870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15492,29889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15493,29906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15494,29923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15495,29940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15496,29957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15497,29973,1,,,,,,, chem_shift_reference,Chemical_Shift_Reference_for_UbcH7,15498,29988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15499,30007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15500,30026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15501,30046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15502,30061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15503,30076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15504,30093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15505,30111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15506,30125,1,,,,,,, chem_shift_reference,chemical_shift_reference,15507,30145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15508,30159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15509,30175,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1551,30188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15510,30212,1,,,,,,,DSS as a internal reference chem_shift_reference,chemical_shift_reference_1,15511,30230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15512,30245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15513,30260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15514,30275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15515,30299,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15517,30316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15518,30333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15519,30349,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1552,30362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15520,30382,1,,,,,,,"1H referenced to TSP, 13C to DSS, 15N indirectly with the ratio of 0.101329118" chem_shift_reference,chemical_shift_reference_1,15521,30400,1,,,,,,,15N and 1H chemical shifts of the backbone and the side chain H-N groups are deposited. chem_shift_reference,chemical_shift_reference_1,15522,30418,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15524,30434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15525,30463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15527,30484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15528,30519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15529,30537,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1553,30552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15530,30572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15531,30590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15532,30608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15533,30628,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15534,30644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15535,30661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15536,30680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15537,30699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15538,30716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15539,30739,1,,,,,,,"Method of Wishart et al., 1995. Indirect methods." chem_shift_reference,chemical_shift_reference_1,15540,30756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15541,30782,1,,,,,,,"1H, 13C and 15N referencing was performed using the referencing feature included in NMRPipe" chem_shift_reference,chemical_shift_reference_1,15542,30815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15543,30833,1,,,,,,, chem_shift_reference,YW12D_SDS_assignment.BMRB,15544,30847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15545,30868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15546,30885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15547,30907,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15548,30923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15549,30941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15550,30960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15551,30974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15552,30993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15553,31015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15554,31043,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15555,31057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15557,31071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15558,31085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15559,31101,1,,,,,,,direct reference to internal DSS chem_shift_reference,chemical_shift_reference_1,15560,31118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15561,31134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15562,31164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15563,31189,1,,,,,,,10 mM internal DSS chem_shift_reference,chemical_shift_reference_1,15564,31205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15565,31229,1,,,,,,,reference peak = dioxane chem_shift_reference,chemical_shift_reference_1,15566,31252,1,,,,,,, chem_shift_reference,DSS,15567,31271,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15568,31314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15569,31335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15570,31353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15571,31374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15572,31395,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15573,31419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15574,31437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15575,31461,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15576,31486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15577,31507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15578,31525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15579,31545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15580,31561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15581,31575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15582,31591,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15583,31607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15584,31631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15585,31651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15586,31669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15587,31683,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15589,31698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15590,31715,1,,,,,,,Dioxane chem_shift_reference,chemical_shift_reference_1,15591,31734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15592,31755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15593,31779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15594,31799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15595,31821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15596,31842,1,,,,,,, chem_shift_reference,chem_shift_reference,15597,31862,1,,,,,,, chem_shift_reference,chem_shift_reference,15598,31882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15599,31898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15601,31912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15602,31928,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15603,31974,1,,,,,,,referenced directly to DSS (in samples) chem_shift_reference,chemical_shift_reference_1,15604,32003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15605,32029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15606,32048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15607,32065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15608,32087,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15609,32107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15610,32143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15611,32170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15612,32187,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15613,32205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15614,32222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15615,32243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15616,32264,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15617,32285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15618,32304,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1562,32317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15620,32333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15621,32350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15622,32368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15623,32384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15624,32403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15625,32424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15626,32441,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15627,32455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15628,32479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15629,32507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15632,32525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15633,32547,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15634,32562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15635,32585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15636,32607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15637,32630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15638,32648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15639,32664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15640,32681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15641,32696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15642,32713,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15643,32728,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15644,32750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15645,32775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15646,32793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15647,32807,1,,,,,,, chem_shift_reference,R642S_gH626-644_shift_reference_1,15648,32822,1,,,,,,, chem_shift_reference,L627S_gH626-644_shift_reference_1,15649,32837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15650,32857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15651,32881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15652,32921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15653,32945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15654,32960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15655,32987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15656,33017,1,,,,,,, chem_shift_reference,Act_holo-acp_chemical_shifts,15658,33035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15659,33049,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1566,33062,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15660,33082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15661,33104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15662,33132,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15663,33151,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15664,33170,1,,,,,,,"Chemical shift referencing was done using the correction values provided by the REFCOR subroutine of the PREDITOR program (Wang and Wishart, 2005, JBNMR 31, 143)." chem_shift_reference,chemical_shift_reference_1,15665,33187,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15666,33204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15667,33218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15669,33234,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1567,33247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15670,33269,1,,,,,,,all shifts referenced via 1H water shift and calibrated temperature chem_shift_reference,chemical_shift_reference_1,15671,33293,1,,,,,,,all shifts referenced via 1H water shift and calibrated temperature chem_shift_reference,chemical_shift_reference,15672,33308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15673,33328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15674,33343,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15676,33360,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15677,33381,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15678,33400,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15679,33421,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15680,33439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15681,33453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15682,33467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15683,33509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15684,33529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15685,33547,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15687,33563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15688,33577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15689,33591,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15690,33621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15691,33639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15692,33656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15693,33678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15694,33692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15695,33710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15697,33728,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15698,33748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15700,33771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15701,33800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15702,33826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15703,33844,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15704,33865,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15705,33883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15706,33906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15707,33924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15708,33940,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1571,33956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15710,33974,1,,,,,,,"For the 13C axis, we calculated the position of the transmitter using the DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the carbonyl carbon region of the protein 13C spectrum. The midpoint of the aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the spectrum. For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H midpoint using the indirect shift ratio of liquid ammonia, 0.101329118." chem_shift_reference,chemical_shift_reference_1,15711,33989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15712,34004,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15713,34019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15714,34034,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15715,34054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15716,34073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15717,34104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15718,34126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15719,34142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15720,34165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15721,34185,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15722,34206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15723,34224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15726,34314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15727,34336,1,,,,,,, chem_shift_reference,chemical_shift_reference,15728,34355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15729,34378,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1573,34391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15730,34407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15731,34423,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15732,34437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15733,34453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15734,34483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15735,34505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15736,34519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15737,34544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15738,34560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15739,34574,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1574,34588,1,,,,,,, chem_shift_reference,K7D8_REF_1,15740,34611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15741,34626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15742,34643,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15743,34661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15744,34675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15745,34695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15746,34712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15747,34732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15748,34749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15749,34767,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1575,34781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15750,34805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15751,34824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15752,34840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15753,34856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15755,34876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15756,34892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15757,34908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15758,34924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15759,34940,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1576,34953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15760,34968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15761,34989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15762,35012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15763,35036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15764,35050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15765,35073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15766,35089,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15767,35105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15768,35119,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15769,35136,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1577,35150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15770,35170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15773,35193,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15774,35225,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15775,35241,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15776,35263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15777,35282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15778,35317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15779,35331,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1578,35344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15780,35364,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15781,35384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15782,35399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15783,35415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15784,35434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15785,35450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15786,35474,1,,,,,,,DSS added for chemical shift referencing chem_shift_reference,chemical_shift_reference_1,15787,35492,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15788,35512,1,,,,,,,"1H chemical shifts were referenced to the proton resonance of DSS at 0 ppm, while 15N and 13C shifts were referenced indirectly using the ratios 0.101329118 and 0.251449530, respectively" chem_shift_reference,chemical_shift_reference_1,15789,35533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15790,35553,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15791,35577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15792,35594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15793,35612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15795,35630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15796,35652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15797,35674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15798,35694,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15799,35708,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1580,35721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15800,35738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15801,35760,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15802,35778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15803,35798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15804,35828,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15805,35848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15806,35868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15807,35886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15808,35906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15809,35931,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1581,35944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15810,35966,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15811,35992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15812,36016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15813,36033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15814,36050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15816,36072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15817,36087,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15818,36103,1,,,,,,,external 13C referencing using adamantane relative to DSS chem_shift_reference,chemical_shift_reference_1,15819,36150,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1582,36165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15820,36181,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15821,36228,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15822,36258,1,,,,,,,Internal DSS was used to reference the proton Spectrum. chem_shift_reference,chemical_shift_reference_1,15823,36278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15824,36302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15825,36347,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15826,36372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15827,36386,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15828,36404,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15829,36450,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1583,36467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15830,36483,1,,,,,,,Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3. chem_shift_reference,chemical_shift_reference_1,15831,36499,1,,,,,,,Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3. chem_shift_reference,chemical_shift_reference_1,15832,36517,1,,,,,,,Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3. chem_shift_reference,chemical_shift_reference_1,15833,36542,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15834,36567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15835,36592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15836,36613,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15837,36639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15839,36659,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1584,36672,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15840,36692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15841,36717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15843,36744,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15844,36782,1,,,,,,,Internal DSS was used to reference the proton spectrum chem_shift_reference,chemical_shift_reference_1,15845,36802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15846,36836,1,,,,,,,Internal DSS was used to reference the proton spectrum chem_shift_reference,chemical_shift_reference_1,15847,36860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15848,36882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15849,36925,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1585,36939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15850,36968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15851,36994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15852,37015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15853,37035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15854,37054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15855,37079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15856,37112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15857,37142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15858,37166,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15859,37192,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1586,37205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15860,37229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15863,37250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15864,37269,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15865,37285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15866,37302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15867,37320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15868,37336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15869,37356,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1587,37369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15870,37386,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15871,37406,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15873,37430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15874,37454,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15875,37473,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15876,37488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15877,37509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15878,37524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15879,37545,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1588,37558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15880,37576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15881,37594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15882,37609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15883,37625,1,,,,,,,"all chemical shifts referenced to 2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)" chem_shift_reference,chemical_shift_reference_1,15884,37639,1,,,,,,,"all chemical shifts are referenced with 2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)" chem_shift_reference,chemical_shift_reference_1,15885,37656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15887,37675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15888,37693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15889,37711,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1589,37725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15890,37742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15891,37760,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15892,37777,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15893,37797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15894,37817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15895,37837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15896,37859,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15897,37881,1,,,,,,, chem_shift_reference,DSS,15898,37901,1,,,,,,,Indirect referencing to DSS according to Wishart et al J Biomol NMR 1995 chem_shift_reference,chemical_shift_reference_1,15899,37918,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1590,37931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15900,37952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15901,37968,1,,,,,,,HDO peak was referenced to DSS peak (external referencing); 13C and 15N chemical shifts were indirectly referenced. chem_shift_reference,chemical_shift_reference_1,15902,38011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15903,38036,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1591,38253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15911,38295,1,,,,,,,13C chemical shifts determined with fully deuterated protein chem_shift_reference,chemical_shift_reference_1,15912,38315,1,,,,,,,"2,2-dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)" chem_shift_reference,chemical_shift_reference_1,15913,38341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15914,38362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15915,38388,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,15915,38389,2,,,,,,, chem_shift_reference,chemical_shift_reference_3,15915,38390,3,,,,,,, chem_shift_reference,chemical_shift_reference_1,15916,38414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15917,38436,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15918,38455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15919,38476,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1592,38489,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15921,38504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15922,38518,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15924,38560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15925,38581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15926,38604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15927,38621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15928,38640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15930,38655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15931,38671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15932,38690,1,,,,,,,referencing of 1H chemical shifts relative to the water frequency at 4.682 ppm at 305K and 13C and 15N using the conversion factors of the BMRB chem_shift_reference,chemical_shift_reference_1,15933,38706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15934,38723,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15935,38755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15936,38779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15937,38802,1,,,,,,,"Internally referenced to the residual CH2-signal of trifluoroethanol (CF3CD2OH, TFE-d2) which was used as solvent in a 50% aqueous solution. The reference signal was set to 3.95 ppm." chem_shift_reference,chemical_shift_reference_1,15938,38820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15939,38843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15940,38860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15941,38881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15942,38895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15943,38915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15944,38945,1,,,,,,, chem_shift_reference,DSS,15945,38960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15946,38977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15948,38993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15949,39011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15950,39026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15951,39042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15952,39060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15953,39074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15954,39092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15955,39112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15956,39136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15957,39150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15958,39173,1,,,,,,, chem_shift_reference,chem_shift_reference_1,15959,39190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15960,39207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15961,39222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15962,39247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15963,39272,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15964,39295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15965,39317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15966,39337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15967,39354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15968,39370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15969,39385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15970,39401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15971,39416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15972,39430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15973,39447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15974,39463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15975,39478,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15977,39502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15978,39516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15979,39530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15980,39544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15981,39560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15983,39579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15986,39604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15987,39619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15988,39634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15989,39655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15990,39673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15991,39691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15992,39709,1,,,,,,,Referenced with DSS chem_shift_reference,chemical_shift_reference_1,15993,39726,1,,,,,,,only backbone atoms are deposited chem_shift_reference,chemical_shift_reference_1,15994,39743,1,,,,,,,only backbone atoms are deposited chem_shift_reference,chemical_shift_reference_1,15995,39764,1,,,,,,,"referencing of 1H shifts to the water line at 4.48 ppm at 47 C, 15N and 13C scale using the conversion factors of the BMRB" chem_shift_reference,chemical_shift_reference_1,15996,39782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15997,39797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15998,39814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,15999,39863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16000,39882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16001,39902,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16002,39920,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16003,39935,1,,,,,,, chem_shift_reference,chemical_shift_reference,16005,39955,1,,,,,,, chem_shift_reference,ref1,16006,39977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16007,40000,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16008,40019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16009,40038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16010,40053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16011,40068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16012,40086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16014,40104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16015,40122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16016,40142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16018,40160,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16019,40180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16020,40201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16021,40219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16022,40240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16023,40262,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16024,40282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16025,40301,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16026,40318,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16027,40334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16028,40353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16029,40377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16030,40399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16031,40416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16032,40439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16033,40459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16034,40484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16035,40501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16037,40523,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16038,40540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16039,40555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16040,40570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16041,40588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16042,40603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16043,40622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16044,40640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16045,40657,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16046,40673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16047,40689,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16048,40705,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16049,40721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16050,40739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16051,40762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16052,40781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16053,40800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16054,40817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16055,40834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16056,40855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16057,40871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16058,40893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16059,40910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16060,40935,1,,,,,,,referenced to standard compound (e.g. adamantane) that was referenced to DSS chem_shift_reference,chemical_shift_reference_1,16061,40956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16062,40976,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16063,40993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16064,41020,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16065,41051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16066,41074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16067,41090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16068,41110,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16069,41127,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16070,41149,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16071,41163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16072,41189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16073,41207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16074,41221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16075,41235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16076,41249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16077,41263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16078,41277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16079,41291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16080,41305,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16082,41320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16083,41341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16084,41367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16085,41381,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16087,41396,1,,,,,,,"4.70 ppm for H2O 1H chemical shifts, 15N and 13C shifts are determined indirectly from gyromagnetic ratios by UXNMR software" chem_shift_reference,chemical_shift_reference_1,16088,41417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16089,41437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16090,41459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16091,41485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16093,41506,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16094,41525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16096,41554,1,,,,,,,internal DSS chem_shift_reference,chemical_shift_reference_1,16097,41584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16098,41602,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16099,41628,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,161,41644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16100,41671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16101,41693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16102,41721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16103,41746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16104,41763,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16105,41779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16107,41806,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16108,41826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16109,41849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16110,41875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16111,41892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16112,41906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16113,41925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16114,41947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16115,41964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16116,41981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16117,41998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16118,42019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16119,42042,1,,,,,,, chem_shift_reference,reference,16120,42060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16121,42082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16122,42096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16123,42110,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16124,42128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16126,42145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16127,42168,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16129,42188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16130,42204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16131,42219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16133,42234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16134,42250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16135,42267,1,,,,,,,"Carbon and nitrogen were referenced indirectly based on the proton referencing and the ratio of gyromagnetic ratios. It was done automatically with the program nmrPipe." chem_shift_reference,chemical_shift_reference_1,16136,42284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16137,42300,1,,,,,,,re-referenced with PREDITOR from the Wishart Laboratory chem_shift_reference,chemical_shift_reference_1,16138,42323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16139,42339,1,,,,,,,"Chemical shifts were analyzed with PREDITOR (Wishart Laboratory). The following corrections were made: CA = -0.09, CB = 0.16, CO = -0.05, HA = 0.13, N = 2.14, HN = 0.11." chem_shift_reference,chemical_shift_reference_1,16140,42356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16141,42372,1,,,,,,,"Chemical shifts were analysed with PREDITOR (Wishart laboratory). The following corrections were made: CA = -0.44, CB = 0.41, CO = -0.31, HA = 0.05, N = 1.12, HN = 0.04" chem_shift_reference,chemical_shift_reference_1,16142,42391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16143,42410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16144,42429,1,,,,,,,The protein was ~50% deuterated but no corrections were made to the carbon chemical shifts. chem_shift_reference,chemical_shift_reference_1,16145,42447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16146,42464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16147,42482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16148,42501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16149,42520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16150,42537,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16151,42554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16152,42571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16153,42596,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16154,42621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16155,42643,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16156,42665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16157,42689,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16158,42706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16159,42725,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1616,42739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16160,42756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16161,42783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16162,42803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16163,42824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16164,42852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16165,42867,1,,,,,,,Referenced using TMSP chem_shift_reference,chemical_shift_reference_1,16166,42882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16167,42898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16168,42916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16169,42930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16170,42944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16171,42958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16172,42972,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16173,42992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16174,43016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16175,43030,1,,,,,,, chem_shift_reference,bmrb_deposit_reference.str,16176,43050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16177,43067,1,,,,,,,All chemical shifts were referenced to DSS chem_shift_reference,chemical_shift_reference_1,16178,43083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16179,43105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16180,43126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16181,43147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16182,43162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16183,43184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16184,43206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16185,43227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16186,43273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16187,43293,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16188,43313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16189,43331,1,,,,,,, chem_shift_reference,chem_shift_reference,16190,43354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16191,43371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16192,43389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16193,43409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16194,43429,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16195,43445,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16196,43463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16197,43481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16198,43495,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16199,43513,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,162,43526,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1620,43539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16200,43557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16201,43575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16202,43593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16203,43610,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16204,43626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16205,43640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16206,43656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16207,43670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16208,43686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16209,43704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16210,43725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16211,43739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16212,43756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16213,43770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16214,43793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16215,43818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16216,43840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16217,43856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16218,43872,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16219,43897,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16221,43915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16222,43938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16223,43959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16225,43984,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16226,44009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16228,44024,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16229,44044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16230,44074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16231,44088,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16233,44106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16235,44135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16236,44149,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16237,44171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16238,44196,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16239,44218,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1624,44232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16240,44253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16241,44272,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16243,44290,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16244,44308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16245,44326,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16246,44343,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16247,44360,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16248,44377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16408,47585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16249,44401,1,,,,,,,referenced with DSS chem_shift_reference,chemical_shift_reference_1,16250,44428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16251,44452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16252,44470,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16253,44491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16254,44510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16255,44533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16256,44552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16257,44566,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16258,44590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16259,44610,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16260,44626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16261,44646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16262,44661,1,,,,,,, chem_shift_reference,IUPAC-IUB_Chemical_Shift_Reference_Ratios,16263,44678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16264,44696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16265,44714,1,,,,,,, chem_shift_reference,DSS,16266,44742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16267,44773,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16268,44793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16269,44808,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16270,44838,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16271,44855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16272,44882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16273,44900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16274,44915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16275,44933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16276,44960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16277,44982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16278,45007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16279,45023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16280,45038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16281,45055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16282,45070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16283,45095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16284,45120,1,,,,,,, chem_shift_reference,shift-ref,16285,45135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16286,45150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16287,45167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16288,45184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16289,45199,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16290,45216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16291,45233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16292,45250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16293,45265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16294,45285,1,,,,,,,"The chemical shift of water at 20C has previously been determined with respect to dioxane at 3.743ppm." chem_shift_reference,chemical_shifts_for_reduced_FATC,16295,45307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16296,45322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16297,45337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16298,45363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16299,45382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16300,45396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16301,45410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16302,45424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16303,45438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16304,45452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16305,45469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16306,45497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16307,45531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16309,45552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16310,45567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16311,45585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16312,45612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16313,45637,1,,,,,,,Internal DSS used to reference proton spectrum chem_shift_reference,chemical_shift_reference_1,16314,45655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16315,45676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16316,45697,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16317,45721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16318,45742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16319,45757,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1632,45770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16320,45787,1,,,,,,, chem_shift_reference,Chemical_Shift_Reference_for_UbcH8,16321,45804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16322,45825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16323,45840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16325,45858,1,,,,,,, chem_shift_reference,13C-adamantane,16327,45878,1,,,,,,, chem_shift_reference,chemical_shift_reference,16328,45892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16329,45908,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1633,45921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16330,45936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16332,45950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16333,45964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16334,45978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16335,45995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16336,46017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16337,46036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16338,46060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16339,46083,1,,,,,,,Referenced to water frequency at 298K chem_shift_reference,chem_shift_reference_par_set_one,1634,46096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16340,46114,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16341,46130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16342,46148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16343,46169,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16344,46192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16345,46216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16347,46236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16348,46263,1,,,,,,,final chemical shift from NOESY chem_shift_reference,chemical_shift_reference_1,16349,46288,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1635,46301,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16350,46320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16352,46341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16353,46365,1,,,,,,, chem_shift_reference,chemical_shift_reference_DSS,16354,46388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16355,46423,1,,,,,,,Internal DSS used to reference protons chem_shift_reference,chemical_shift_reference_1,16356,46438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16357,46470,1,,,,,,,Internal DSS was used to reference proton spectrum chem_shift_reference,chemical_shift_reference_1,16359,46484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16360,46505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16361,46532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16362,46548,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16363,46563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16364,46589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16365,46614,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16366,46635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16367,46653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16368,46681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16370,46710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16371,46736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16372,46762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16373,46791,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16374,46816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16375,46843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16376,46873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16377,46903,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16378,46927,1,,,,,,, chem_shift_reference,IL_1a_Chemical_shifts,16379,46946,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1638,46959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16380,46981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16381,46995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16382,47025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16384,47050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16385,47090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16386,47118,1,,,,,,,50 uM DSS internal std. chem_shift_reference,chemical_shift_reference_1,16387,47152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16388,47172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16389,47192,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1639,47205,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,16390,47227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16391,47253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16392,47273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16393,47298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16394,47314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16395,47329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16396,47348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16397,47366,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16398,47382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16399,47398,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1640,47411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16400,47438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16401,47455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16402,47473,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16403,47493,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16404,47511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16405,47529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16406,47548,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16407,47562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16409,47609,1,,,,,,,19F chem_shift_reference,chemical_shift_reference_1,16411,47627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16412,47644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16413,47660,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1642,47785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16424,47882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16425,47909,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16426,47932,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16428,47960,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1643,47975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16430,47995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16431,48026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16435,48045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16436,48064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16437,48083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16438,48102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16439,48123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16440,48146,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16441,48171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16442,48188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16443,48208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16444,48230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16445,48245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16446,48259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16447,48273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16448,48290,1,,,,,,,"Referencing according to Morcombe and Zilm, J Magn Reson 162, 479 (2003)" chem_shift_reference,chemical_shift_reference_1,16449,48308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16450,48323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16451,48341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16452,48356,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1646,48534,1,,,,,,, chem_shift_reference,TSP_reference,16463,48605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16464,48627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16465,48649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16466,48663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16467,48680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16468,48698,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1647,48743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16470,48759,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16471,48774,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16472,48795,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16473,48817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16475,48838,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16476,48865,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16477,48886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16478,48902,1,,,,,,, chem_shift_reference,chemical_shift_reference_set,16479,48918,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1648,48931,1,,,,,,, chem_shift_reference,reference_1,16480,48952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16481,48980,1,,,,,,,"1H proton chemical shifts are referenced to internal DSS. Indirect chemical shift referencing of 15N and 13C (relative to 1H DSS set to 0 ppm) and recalibration to a temperature of T=62 oC (T=335 K). The temperature of the NMR sample in the probe is derived from the following temperature calibration samples: a sample of DSS in 90%/10% H2O/D2O and a sample of neat MeOH. The temperature corrections for the indirect chemical shift ratios of 13C and 15N are done according to the temperature correction given in: Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D., ""1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR,"" J. Biomol. NMR 6, 135-140 (1995). The indirect chemical shift ratios used at 62 oC are: 15N (0 ppm DSS)= 0.101329128 13C (0 ppm DSS)= 0.251449567 Chemical shifts of 15N and 13C are therefore +0.097 ppm and +0.148 ppm, respectively, compared to standard IUPAC indirect chemical shift referencing rules." chem_shift_reference,chemical_shift_reference_1,16482,49002,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16483,49032,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16484,49053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16485,49073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16486,49107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16487,49126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16489,49140,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1649,49153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16490,49175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16491,49199,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16492,49224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16493,49243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16494,49259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16495,49274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16496,49297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16497,49313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16498,49356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16499,49374,1,,,,,,,external referencing to DSS chem_shift_reference,chem_shift_reference_par_set_one,1650,49387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16500,49401,1,,,,,,,external referencing to DSS chem_shift_reference,chemical_shift_reference_1,16501,49415,1,,,,,,,external referencing to DSS chem_shift_reference,chemical_shift_reference_1,16502,49433,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16503,49450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16504,49467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16505,49486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16506,49503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16507,49524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16508,49540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16509,49559,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1651,49572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16510,49590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16511,49605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16512,49620,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16514,49637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16515,49658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16516,49673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16517,49693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16518,49708,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16519,49728,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1652,49741,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16520,49760,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16521,49787,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16522,49807,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,16522,49808,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,16523,49828,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16524,49849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16525,49868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16526,49889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16527,49908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16528,49927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16529,49944,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1653,49957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16530,49974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16531,49991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16532,50008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16533,50025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16534,50039,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16536,50055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16537,50073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16538,50094,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16539,50112,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1654,50126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16540,50144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16541,50159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16542,50175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16543,50189,1,,,,,,,Not corrected for 2H isotope effect. chem_shift_reference,chemical_shift_reference_1,16544,50207,1,,,,,,,13c referencing: tms/10% dioxane chem_shift_reference,chemical_shift_reference_1,16545,50229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16546,50246,1,,,,,,,Not corrected for 2H isotope effect. chem_shift_reference,chemical_shift_reference_1,16547,50260,1,,,,,,,Not corrected for 2H isotope effect. chem_shift_reference,chemical_shift_reference_1,16548,50274,1,,,,,,,Not corrected for 2H isotope effect. chem_shift_reference,chemical_shift_reference_1,16549,50296,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1655,50313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16550,50327,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16551,50342,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16555,50361,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16556,50402,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16557,50429,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16558,50453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16559,50475,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1656,50489,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16560,50513,1,,,,,,,50 uM DSS internat standard at 298 K frequency was zeroed on spectrometer & center freq. recalculated chem_shift_reference,chemical_shift_reference_1,16561,50554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16562,50590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16563,50613,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16564,50637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16565,50654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16566,50673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16567,50688,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16568,50708,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16569,50736,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1657,50752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16570,50776,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16571,50792,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16572,50834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16574,50854,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16575,50873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16576,50894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16577,50913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16578,50940,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1658,50982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16585,51170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16586,51185,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16587,51207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16588,51223,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16589,51238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16590,51259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16591,51273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16592,51302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16593,51320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16594,51345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16595,51362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16596,51383,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16597,51398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16598,51423,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16599,51440,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1660,51453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16600,51469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16601,51487,1,,,,,,,DSS in sample chem_shift_reference,chemical_shift_reference_1,16602,51502,1,,,,,,,Proton is directly referenced to DSS. 13C and 15N are referenced indirectly to proton chemical shift. chem_shift_reference,chemical_shift_reference_1,16603,51525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16604,51551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16605,51573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16606,51592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16607,51611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16608,51628,1,,,,,,, chem_shift_reference,chem_shift_reference,16609,51654,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1661,51668,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16610,51687,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16611,51710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16612,51734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16613,51756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16614,51773,1,,,,,,,"The 1H chemical shifts were referenced indirectly to TMS at 0 ppm via the H2O signal, and the 13C and 15N chemical shifts were referenced indirectly using absolute frequency ratios" chem_shift_reference,chemical_shift_reference_1,16615,51791,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16616,51805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16617,51824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16618,51838,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16619,51857,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1662,51870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16620,51891,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16621,51908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16622,51924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16623,51944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16624,51961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16626,51977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16627,51994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16628,52013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16629,52029,1,,,,,,,DSS is used for directly 1H referencing chem_shift_reference,chem_shift_reference_par_set_one,1663,52042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16630,52059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16632,52091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16633,52117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16634,52134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16635,52156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16636,52178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16637,52197,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16638,52217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16639,52239,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1664,52254,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16640,52277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16641,52294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16642,52310,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16643,52325,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16646,52345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16647,52394,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16648,52439,1,,,,,,,Internal DSS was used to reference the proton spectrum chem_shift_reference,chemical_shift_reference_1,16649,52464,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1665,52480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16652,52504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16653,52522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16654,52546,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16655,52570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16656,52597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16657,52642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16658,52665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16659,52707,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1666,52722,1,,,,,,, chem_shift_reference,TMS_used_as_reference,16660,52739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16661,52756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16662,52781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16663,52798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16664,52814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16665,52841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16666,52857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16667,52872,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16668,52891,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16669,52911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16670,52926,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16671,52946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16672,52964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16673,52979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16674,53001,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16675,53022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16676,53036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16677,53055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16678,53077,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16679,53091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16680,53105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16681,53130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16682,53153,1,,,,,,, chem_shift_reference,shift_ref,16683,53172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16684,53193,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16685,53224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16686,53249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16687,53270,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16688,53323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16689,53346,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1669,53359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16690,53373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16691,53421,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16692,53445,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16693,53463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16694,53484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16695,53512,1,,,,,,,"Indirect referencing according to Wishart, DS, et al. (1995) J. Biomol. NMR 6:135-140." chem_shift_reference,shift_ref,16696,53527,1,,,,,,, chem_shift_reference,shift_ref,16697,53541,1,,,,,,, chem_shift_reference,shift_ref,16698,53557,1,,,,,,, chem_shift_reference,chemical_shift_gH617-644,16699,53574,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1670,53587,1,,,,,,, chem_shift_reference,chemical_shift_gH626-639,16700,53603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16701,53619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16703,53637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16704,53655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16705,53673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16706,53688,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16707,53709,1,,,,,,,"13C were referenced indirectly, with 0 ppm corresponding to TMS signal" chem_shift_reference,chemical_shift_reference_1,16708,53725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16709,53746,1,,,,,,,"13C were referenced indirectly, with 0 ppm corresponding to TMS signal" chem_shift_reference,chemical_shift_reference_1,16710,53761,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16711,53780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16712,53794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16713,53808,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16714,53835,1,,,,,,,H2O dataset chem_shift_reference,chemical_shift_reference_2,16714,53836,2,,,,,,,D2O dataset chem_shift_reference,chemical_shift_reference_1,16715,53858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16716,53875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16717,53892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16718,53909,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16719,53928,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1672,53941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16720,53957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16721,53979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16722,53995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16723,54011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16726,54025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16727,54041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16729,54057,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1673,54070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16731,54086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16732,54102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16733,54118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16734,54134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16735,54148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16736,54168,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16737,54190,1,,,,,,,rereferenced with RCI server chem_shift_reference,chemical_shift_reference_1,16738,54213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16739,54227,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1674,54240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16740,54257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16741,54274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16742,54288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16743,54309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16744,54338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16745,54355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16746,54378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16747,54397,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16748,54411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16749,54426,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1675,54439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16750,54458,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1676,54632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16764,54720,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,16766,54736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16767,54751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16768,54766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16769,54782,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1677,54796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16770,54820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16771,54839,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16772,54858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16773,54877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16774,54898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16777,54917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16778,54941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16779,54960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16780,54978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16781,54992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16782,55040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16783,55060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16784,55079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16785,55098,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16786,55118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16787,55134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16788,55154,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16789,55172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16790,55198,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16791,55224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16792,55248,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16794,55287,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16795,55314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16796,55342,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16797,55362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16798,55377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16799,55392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16800,55407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16801,55427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16802,55442,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16803,55458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16804,55474,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16805,55498,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16806,55536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16807,55566,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16808,55597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16809,55621,1,,,,,,,"2,2-dimethyl-2-silapentane-5-sulfonate sodium salt (DSS)" chem_shift_reference,chemical_shift_reference_1,16810,55646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16811,55675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16812,55694,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16813,55718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16814,55738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16815,55757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16816,55781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16817,55800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16818,55815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16819,55831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16822,55904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16824,55925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16831,55939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16832,55954,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16833,55992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16834,56023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16835,56042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16912,57501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16837,56057,1,,,,,,,"CA, CB, C' and N shifts corrected using CheckShift server" chem_shift_reference,chemical_shift_reference_1,16838,56073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16839,56095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16840,56114,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16841,56136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16842,56158,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16843,56178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16845,56194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16846,56221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16847,56236,1,,,,,,,H referencing was performed using DSS signal set to 0ppm. N and C referencing relative to H from DSS chem_shift_reference,chemical_shift_reference_1,16848,56250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16849,56269,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16850,56284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16851,56312,1,,,,,,, chem_shift_reference,chem_shift_reference_1,16852,56340,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16853,56357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16854,56374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16856,56390,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16857,56407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16858,56432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16859,56462,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16860,56518,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16861,56546,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16862,56567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16863,56585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16864,56605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16865,56632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16866,56651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16867,56665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16868,56682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16869,56699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16870,56716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16871,56739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16872,56764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16873,56784,1,,,,,,,"All shifts are referenced to the CH peak of solid adamantane at 40.48ppm accd. to the recomendations of Morcombe and Zilm (JMR 165, 165-174)" chem_shift_reference,chemical_shift_reference_1,16874,56802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16876,56821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16877,56852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16878,56870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16879,56889,1,,,,,,,using TSP for referencing chem_shift_reference,chemical_shift_reference_1,16880,56915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16881,56937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16882,56952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16883,56970,1,,,,,,, chem_shift_reference,chem_shift_reference,16884,56986,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16885,57012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16886,57028,1,,,,,,,DSS in sample for direct 1H referencing chem_shift_reference,chemical_shift_reference_1,16887,57045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16888,57063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16889,57083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16890,57101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16891,57117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16892,57133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16893,57148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16894,57165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16895,57189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16897,57212,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16898,57227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16899,57250,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,169,57263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16900,57280,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16901,57310,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16902,57330,1,,,,,,, chem_shift_reference,DSS,16904,57348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16905,57364,1,,,,,,,referenced to DSS for proton and IUPAC for other nuclei chem_shift_reference,chemical_shift_reference_1,16907,57393,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16908,57424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16909,57443,1,,,,,,,"We have used the water signal to locate the midpoint of the 1H axis, and then have given it a reference value where the temperature and the pH have been taken into account. In this case the value is 4.783 ppm. For the 13C axis, we then calculated the position of the transmitter using the DSS indirect shift ratio and ended up with this value of 175.571 ppm, in the carbonyl carbon region of the protein 13C spectrum. The midpoint of the aliphatic 13C spectrum is at 118 or 128 ppms from this value, depending on the spectrum. For the 15N axis, we calculated the midpoint of the 15N spectrum from the 1H midpoint using the indirect shift ratio of liquid ammonia, 0.101329118." chem_shift_reference,chemical_shift_reference_1,16910,57463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16911,57484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16913,57516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16914,57530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16915,57549,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16916,57570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16917,57586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16918,57611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16919,57633,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1692,57646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16920,57666,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16921,57685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16922,57701,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16923,57717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16925,57738,1,,,,,,, chem_shift_reference,chem_shift_reference_1,16926,57756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16927,57775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16928,57793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16929,57813,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1693,57826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16930,57841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16931,57870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16932,57888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16933,57911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16934,57944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16935,57966,1,,,,,,, chem_shift_reference,reference,16936,57994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16937,58009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16939,58029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16940,58051,1,,,,,,, chem_shift_reference,chem_shift_reference_1,16941,58075,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16942,58109,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16943,58131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16944,58155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16945,58171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16946,58189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16947,58209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16948,58223,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16949,58237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16950,58259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16951,58280,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16952,58300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16953,58319,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16954,58341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16955,58357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16956,58378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16957,58405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16958,58423,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16959,58439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1696,58452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16960,58469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16961,58497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16963,58563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16964,58578,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16965,58592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16966,58607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16967,58629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16968,58650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16969,58674,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1697,58688,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,16970,58709,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16971,58724,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16977,58745,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16978,58770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16979,58796,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1698,58813,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,16980,58829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16981,58850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16982,58864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16983,58880,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16984,58896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16986,58913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16988,58946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16989,58963,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1699,58977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16991,59006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16992,59024,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16994,59048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16995,59068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16996,59085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16997,59105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16998,59152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,16999,59174,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1700,59190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17000,59206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17001,59226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17002,59245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17003,59259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17005,59283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17006,59302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17007,59320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17008,59356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17009,59378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17010,59396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17011,59416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17013,59455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17014,59474,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17015,59490,1,,,,,,, chem_shift_reference,reference_1,17016,59513,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17017,59538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17018,59557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17019,59577,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1702,59590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17020,59618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17021,59650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17022,59681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17023,59705,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17024,59731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17025,59759,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17026,59794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17027,59814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17028,59829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17029,59849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17030,59887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17031,59918,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17032,59946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17033,59968,1,,,,,,,Internal DSS was used to reference the proton spectrum chem_shift_reference,chemical_shift_reference_1,17034,59990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17035,60022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17036,60050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17038,60082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17039,60114,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1704,60130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17040,60150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17041,60171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17042,60190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17043,60206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17044,60221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17045,60239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17046,60260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17047,60286,1,,,,,,, chem_shift_reference,Chemical_Shift_Reference,17048,60307,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1705,60320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17050,60336,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1706,60483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17062,60535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17063,60554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17064,60573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17065,60588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17066,60607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17067,60627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17068,60641,1,,,,,,,Water was used for the direct 1H referencing. 13C and 15N were referenced indirectly chem_shift_reference,chem_shift_reference_par_set_one,1707,60674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17070,60695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17071,60716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17072,60742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17073,60767,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17074,60784,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17075,60801,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17076,60818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17077,60835,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17078,60858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17079,60879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17080,60904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17081,60929,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17082,60951,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17083,60967,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17084,60987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17085,61007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17086,61024,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17087,61047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17088,61072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17089,61087,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1709,61100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17090,61120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17091,61141,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17092,61159,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,171,61301,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1710,61314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17103,61385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17104,61403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17105,61422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17106,61448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17107,61464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17108,61479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17109,61495,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17110,61517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17111,61531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17112,61551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17113,61571,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1712,61665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17124,61753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17125,61782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17126,61802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17127,61827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17128,61847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17129,61870,1,,,,,,,All nuclei are indirectedly referenced to DSS (5 mM in D2O) chem_shift_reference,chem_shift_reference_par_set_one,1713,61883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17130,61902,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17131,61918,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17132,61941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17133,61961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17134,61982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17135,61997,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17136,62012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17137,62027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17138,62046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17139,62070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17141,62086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17143,62103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17144,62126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17145,62142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17146,62164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17147,62180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17148,62198,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17149,62243,1,,,,,,,"15N chemical shifts were corrected for 2H isotope effects as described in Gardner, Rosen & Kay, Biochemistry 36, 1389-1401 (1997)." chem_shift_reference,chemical_shift_reference_1,17150,62266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17151,62286,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17152,62300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17153,62325,1,,,,,,,referenced to TSPSA chem_shift_reference,chemical_shift_reference_1,17154,62350,1,,,,,,,referenced to TSPSA chem_shift_reference,chemical_shift_reference_1,17155,62375,1,,,,,,,referenced to TSPSA chem_shift_reference,chemical_shift_reference_1,17156,62400,1,,,,,,,referenced to TSPSA chem_shift_reference,chemical_shift_reference_1,17157,62419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17158,62438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17159,62453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17160,62471,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17161,62498,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17162,62514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17163,62530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17165,62558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17166,62586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17169,62621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17170,62639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17171,62658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17172,62673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17173,62690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17174,62710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17175,62758,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17176,62807,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17177,62831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17188,63025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17189,63041,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1719,63056,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17190,63073,1,,,,,,,referenced with DSS chem_shift_reference,chemical_shift_reference_1,17191,63108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17192,63148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17193,63168,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17194,63185,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17195,63204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17196,63223,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17199,63238,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1720,63254,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17200,63281,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17201,63299,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17202,63313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17203,63330,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17204,63344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17205,63361,1,,,,,,, chem_shift_reference,Ref1,17206,63381,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17207,63413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17208,63444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17209,63464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17210,63491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17211,63510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17212,63524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17213,63546,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17214,63563,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1722,63655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17226,63783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17227,63813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17228,63830,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17229,63849,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1723,63863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17231,63877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17232,63898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17233,63917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17234,63936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17235,63955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17236,63979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17237,63995,1,,,,,,, chem_shift_reference,chem_shift_reference,17238,64018,1,,,,,,, chem_shift_reference,chem_shift_reference,17239,64040,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1724,64053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17240,64071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17241,64088,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17242,64107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17243,64126,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17244,64148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17245,64166,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17246,64192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17247,64211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17249,64230,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1725,64243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17250,64257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17251,64275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17252,64291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17253,64308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17254,64325,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17255,64343,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17256,64357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17257,64383,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17258,64399,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1726,64415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17260,64430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17261,64455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17262,64482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17263,64507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17264,64531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17265,64556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17266,64581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17267,64601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17268,64619,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1727,64632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17270,64650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17271,64671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17272,64691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17273,64717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17274,64749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17275,64766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17276,64780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17277,64798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17278,64814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17279,64829,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1728,64842,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17280,64870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17281,64890,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17282,64912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17283,64935,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17284,64952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17285,64972,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17286,64986,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17287,65008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17288,65023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17289,65046,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1729,65059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17290,65074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17291,65091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17292,65120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17293,65141,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17294,65161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17295,65181,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17296,65195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17297,65209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17298,65224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17299,65238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17300,65252,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17301,65269,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17302,65289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17303,65309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17304,65334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17305,65356,1,,,,,,, chem_shift_reference,chemical_shift_references,17306,65377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17307,65402,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17308,65420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17309,65444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17310,65469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17311,65494,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17312,65519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17313,65536,1,,,,,,, chem_shift_reference,chemical_shift_reference,17314,65550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17315,65573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17316,65589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17318,65608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17319,65627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17320,65646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17321,65663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17322,65680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17323,65706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17324,65727,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17325,65747,1,,,,,,,Spectra referenced with DSS chem_shift_reference,chemical_shift_reference_1,17326,65762,1,,,,,,,external sample of sucrose/DSS (Bruker) chem_shift_reference,chemical_shift_reference_1,17327,65784,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17328,65804,1,,,,,,,DSS was used as the standard chem_shift_reference,chemical_shift_reference_1,17329,65823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17330,65839,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17331,65855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17332,65873,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1734,65961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17343,66008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17344,66033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17345,66056,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17346,66078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17347,66097,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17350,66114,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17351,66134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17352,66150,1,,,,,,, chem_shift_reference,acam_chem_shift_ref,17353,66168,1,,,,,,, chem_shift_reference,hiCa_acam_chem_shift_ref,17354,66186,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17355,66204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17356,66220,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17357,66238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17358,66258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17359,66287,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1736,66305,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17360,66334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17361,66352,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17362,66369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17363,66389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17364,66412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17365,66432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17367,66446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17368,66463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17369,66484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17370,66536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17371,66561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17373,66579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17374,66593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17375,66611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17376,66629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17377,66645,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17378,66666,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17379,66685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17380,66703,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17381,66718,1,,,,,,, chem_shift_reference,DSS,17382,66734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17383,66755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17384,66786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17385,66804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17386,66822,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17387,66840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17388,66860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17389,66902,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1739,66916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17390,66953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17391,66969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17392,66992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17393,67020,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17394,67044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17395,67061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17396,67082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17397,67100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17398,67116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17399,67136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17400,67150,1,,,,,,, chem_shift_reference,chemical_shift_reference,17401,67167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17402,67189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17403,67213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17404,67229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17405,67244,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17406,67267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17407,67291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17408,67313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17409,67333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17410,67352,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17411,67368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17412,67394,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17413,67410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17414,67426,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17415,67448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17416,67465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17417,67483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17418,67503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17419,67523,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17420,67539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17421,67560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17422,67582,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17423,67603,1,,,,,,, chem_shift_reference,HCN,17424,67620,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17425,67639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17426,67656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17427,67670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17428,67685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17429,67713,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1743,67730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17430,67749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17431,67769,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17432,67785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17433,67799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17434,67813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17435,67827,1,,,,,,, chem_shift_reference,DSS,17436,67856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17437,67876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17438,67896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17439,67912,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1744,67925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17440,67950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17441,67970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17442,67990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17443,68007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17444,68022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17445,68037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17446,68052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17447,68072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17448,68091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17449,68114,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,17449,68115,2,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1745,68128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17450,68144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17451,68166,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17452,68187,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17453,68206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17454,68221,1,,,,,,,DSS as 0 ppm 1H chemical shift chem_shift_reference,chemical_shift_reference_1,17455,68236,1,,,,,,,DSS as 0 ppm 1H chemical shift chem_shift_reference,chemical_shift_reference_1,17456,68256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17458,68288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17466,68431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17467,68449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17468,68466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17471,68511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17472,68526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17473,68541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17474,68557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17475,68575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17476,68589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17477,68607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17478,68630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17479,68657,1,,,,,,,Internal referencing to the H2O signal at 4.70ppm chem_shift_reference,chemical_shift_reference_1,17481,68684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17482,68704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17483,68723,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17484,68754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17485,68771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17487,68786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17488,68804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17489,68824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17490,68853,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17491,68871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17492,68887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17493,68911,1,,,,,,,referenced to water frequency at 298K to be 4.773 ppm chem_shift_reference,chemical_shift_reference_1,17494,68931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17495,68946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17496,68977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17497,68992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17498,69008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17499,69023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17500,69038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17501,69057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17502,69079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17503,69103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17504,69134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17505,69149,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17506,69165,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17507,69184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17508,69210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17509,69230,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1751,69244,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17510,69265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17511,69282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17512,69298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17513,69318,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17514,69339,1,,,,,,,"1H referenced from H2O resonance frequency, heteronuclei - from IUPAC referencing ratio values." chem_shift_reference,chemical_shift_reference_1,17515,69361,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17517,69379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17518,69396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17519,69414,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1752,69427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17520,69444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17521,69464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17523,69490,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17524,69517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17525,69540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17526,69557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17527,69575,1,,,,,,,Digital lock system by Bruker instrument was used to set chemical shift reference. DHO signal showed 4.704 ppm at 300K. chem_shift_reference,chemical_shift_reference_1,17528,69591,1,,,,,,,Digital lock system by Bruker instrument was used to set chemical shift reference. DHO signal showed 4.704 ppm at 300K. chem_shift_reference,chemical_shift_reference_1,17529,69612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17530,69640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17531,69658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17532,69677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17533,69697,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17534,69720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17535,69743,1,,,,,,,11B - referenced to 0.80M borate from tris borate EDTA 198K pH 8.36 chem_shift_reference,chemical_shift_reference_1,17536,69763,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17537,69779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17538,69799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17539,69821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17540,69841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17541,69862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17542,69883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17543,69903,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17544,69924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17545,69945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17546,69961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17547,69980,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17549,69994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17550,70011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17551,70033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17552,70052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17553,70074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17554,70093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17555,70108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17556,70124,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17557,70139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17558,70159,1,,,,,,,1mM 3-(trimethylsilyl-)-1-propanesulfonic acid sodium (DSS) was used for chemical shift referencing chem_shift_reference,chemical_shift_reference_1,17559,70177,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1756,70190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17560,70208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17561,70231,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17562,70249,1,,,,,,, chem_shift_reference,reference_1,17563,70266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17564,70283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17565,70300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17566,70316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17567,70333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17568,70348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17569,70371,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1757,70384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17570,70399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17571,70420,1,,,,,,, chem_shift_reference,i6_tyrASL,17572,70439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17573,70459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17574,70485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17575,70499,1,,,,,,, chem_shift_reference,TMSP,17576,70517,1,,,,,,,Chemical shifts were referenced to TMSP chem_shift_reference,chemical_shift_reference_1,17577,70537,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17578,70560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17579,70583,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17580,70597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17581,70617,1,,,,,,, chem_shift_reference,TMSP,17582,70635,1,,,,,,,Chemical shifts were referenced to TMSP chem_shift_reference,chemical_shift_reference_1,17583,70654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17584,70673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17585,70692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17586,70711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17588,70729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17589,70747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17590,70764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17591,70781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17592,70799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17593,70824,1,,,,,,,Chemical shifts were referenced to TFE. chem_shift_reference,chemical_shift_reference_1,17594,70845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17595,70874,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17596,70895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17597,70912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17598,70931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17599,70951,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1760,70964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17600,70984,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17601,71001,1,,,,,,, chem_shift_reference,PMM_chemical_shift_reference,17602,71019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17603,71040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17604,71064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17606,71079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17607,71098,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17608,71117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17609,71139,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1761,71152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17610,71174,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17611,71205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17612,71232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17613,71259,1,,,,,,,"LACS offset CACB:0.15ppm CO:0.25ppm HA:-0.06ppm" chem_shift_reference,chemical_shift_reference_1,17614,71287,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17615,71303,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17616,71320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17617,71334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17618,71359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17619,71380,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1762,71393,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17620,71409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17621,71428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17622,71445,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17623,71463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17625,71482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17626,71501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17627,71520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17628,71546,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17629,71568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17630,71584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17631,71601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17632,71619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17633,71639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17634,71659,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17635,71673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17636,71687,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17637,71701,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17638,71718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17639,71735,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17640,71754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17641,71769,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17642,71783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17643,71801,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17644,71815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17645,71836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17646,71861,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17647,71875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17648,71890,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17649,71905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17650,71922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17651,71938,1,,,,,,, chem_shift_reference,PMM(S108C)_chemical_shift_reference,17652,71956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17653,71979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17654,71994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17655,72010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17656,72026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17657,72047,1,,,,,,,TMS at 0.000ppm chem_shift_reference,chemical_shift_reference_1,17658,72068,1,,,,,,,TMS at 0.000ppm chem_shift_reference,chemical_shift_reference_1,17659,72089,1,,,,,,,TMS at 0.000ppm chem_shift_reference,chem_shift_reference_par_set_one,1766,72102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17660,72121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17661,72140,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17662,72159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17663,72175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17664,72189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17665,72205,1,,,,,,,"All shifts referenced to water frequency, using DSS standard for carbon and proton shifts, and 15N shifts referenced to anhydrous liquid ammonia" chem_shift_reference,chemical_shift_reference_1,17667,72221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17668,72237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17669,72254,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1767,72267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17670,72298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17671,72316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17672,72333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17673,72353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17674,72372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17675,72391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17678,72410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17679,72427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17680,72450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17681,72464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17682,72479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17683,72507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17685,72526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17686,72548,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17687,72567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17688,72598,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17689,72620,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1769,72633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17690,72647,1,,,,,,, chem_shift_reference,ref1,17691,72661,1,,,,,,,using gamma ratios chem_shift_reference,chemical_shift_reference_1,17692,72675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17693,72695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17694,72711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17695,72731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17697,72753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17698,72769,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17699,72791,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1770,72804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17700,72818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17701,72841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17702,72884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17703,72904,1,,,,,,,1H with DSS and heteronuclei with indirect referencing. chem_shift_reference,chemical_shift_reference_1,17704,72925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17705,72945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17706,72966,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17707,72987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17708,73002,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17709,73017,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1771,73030,1,,,,,,, chem_shift_reference,chemical_shift_reference_Adam,17710,73060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17711,73083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17713,73103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17714,73124,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17715,73138,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17716,73165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17717,73188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17719,73222,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1772,73235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17720,73251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17721,73265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17722,73281,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17723,73302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17724,73323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17725,73339,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17726,73354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17727,73370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17728,73385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17729,73415,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1773,73428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17731,73444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17732,73471,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17733,73486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17734,73507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17735,73535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17736,73586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17737,73615,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17738,73641,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17739,73665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17740,73686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17741,73704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17742,73722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17743,73743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17744,73758,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17745,73773,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17746,73789,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17747,73815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17748,73833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17749,73858,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1775,73873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17750,73894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17751,73922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17752,73944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17753,73969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17754,73999,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17755,74018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17756,74035,1,,,,,,,Chemical shift referencing was done using TSP as DSS caused aggregation of hPrP(121-230). chem_shift_reference,chemical_shift_reference_1,17757,74053,1,,,,,,,Chemical shift referencing was done using TSP as DSS caused aggregation of hPrP(121-230). chem_shift_reference,chemical_shift_reference_1,17758,74070,1,,,,,,,Chemical shift referencing was done using TSP as DSS caused aggregation of hPrP(121-230). chem_shift_reference,chemical_shift_reference_1,17759,74088,1,,,,,,,Chemical shift referencing was done using TSP as DSS caused aggregation of hPrP(121-230). chem_shift_reference,chemical_shift_reference_1,17760,74102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17761,74117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17762,74136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17763,74153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17764,74167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17765,74188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17766,74203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17767,74227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17768,74247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17769,74262,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1777,74277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17770,74297,1,,,,,,, chem_shift_reference,chemical_shift_reference,17771,74316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17772,74338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17773,74354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17774,74377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17775,74396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17776,74415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17777,74431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17779,74446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17780,74465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17781,74479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17782,74493,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17783,74516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17784,74544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17785,74562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17786,74577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17787,74592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17788,74609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17789,74624,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1779,74639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17790,74657,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17791,74674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17792,74691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17793,74706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17794,74721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17795,74736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17796,74751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17797,74768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17798,74785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17799,74803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17803,74821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17804,74844,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17805,74869,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17806,74889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17807,74918,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17808,74935,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17809,74983,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1781,75002,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17810,75020,1,,,,,,,All chemical shifts referenced indirectly to DSS via adamantane spectra acquired immediately before data acquisition. chem_shift_reference,chemical_shift_reference_1,17811,75042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17812,75063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17813,75079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17814,75101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17815,75117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17816,75134,1,,,,,,,H2O at 4.72 ppm chem_shift_reference,chemical_shift_reference_1,17817,75152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17818,75172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17819,75189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17820,75206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17821,75227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17822,75241,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17823,75259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17824,75284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17825,75302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17826,75320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17827,75344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17828,75367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17829,75381,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1783,75396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17830,75413,1,,,,,,,Water was used as the reference for 1H (4.75 ppm at 298K). The gamma ratios were used for 13C and 15N. chem_shift_reference,chemical_shift_reference_1,17831,75430,1,,,,,,,Water was used as the reference for 1H (4.75 ppm at 298K). The gamma ratios were used for 13C and 15N. chem_shift_reference,chemical_shift_reference_1,17832,75446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17833,75460,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17834,75482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17835,75500,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17836,75517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17837,75534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17838,75552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17839,75574,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17840,75597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17841,75619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17842,75634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17843,75648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17844,75665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17845,75685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17846,75706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17847,75727,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17848,75748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17849,75770,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1785,75785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17850,75808,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17851,75829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17852,75852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17853,75868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17855,75885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17856,75899,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17857,75920,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17858,75949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17859,75967,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17860,75993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17861,76015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17862,76041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17863,76058,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17864,76072,1,,,,,,,DSS reference chem_shift_reference,chemical_shift_reference_1,17865,76092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17866,76111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17867,76128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17868,76147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17869,76168,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1787,76183,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17870,76204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17871,76225,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17872,76246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17873,76267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17874,76288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17875,76309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17876,76329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17877,76351,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17878,76367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17879,76390,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17880,76404,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17881,76418,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17882,76437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17883,76464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17884,76491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17885,76508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17886,76524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17887,76547,1,,,,,,,"13C referenced indirectly to 1H 31P referenced to 85% H3PO4 in external tube" chem_shift_reference,chemical_shift_reference_1,17888,76563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17889,76577,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1789,76592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17890,76614,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17891,76632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17892,76649,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17893,76666,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17894,76683,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17895,76700,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17896,76717,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17897,76734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17898,76751,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,17899,76768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17900,76804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17901,76820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17902,76849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17903,76868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17904,76887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17905,76904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17906,76923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17907,76949,1,,,,,,, chem_shift_reference,chem_shift_reference_1,17908,76964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17909,76979,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1791,76994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17910,77010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17911,77030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17912,77044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17913,77058,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17914,77076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17915,77092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17916,77108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17917,77124,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17918,77138,1,,,,,,, chem_shift_reference,cs1,17919,77152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17920,77166,1,,,,,,,Referenced to DSS chem_shift_reference,chemical_shift_reference_1,17921,77184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17922,77202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17923,77219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17924,77235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17925,77253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17926,77276,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17927,77297,1,,,,,,, chem_shift_reference,reference_1,17928,77320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17929,77344,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1793,77359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17930,77377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17931,77396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17932,77414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17934,77429,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17935,77445,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17936,77466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17937,77484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17938,77500,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17939,77517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17940,77532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17941,77554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17942,77575,1,,,,,,,Referencing to DSS chem_shift_reference,Chemical_shift_reference,17943,77592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17944,77607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17945,77626,1,,,,,,,1H chemical shift reference is TMSP chem_shift_reference,chemical_shift_reference_1,17946,77646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17947,77669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17948,77691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17949,77705,1,,,,,,,DSS as reference chem_shift_reference,chem_shift_reference_par_set_one,1795,77720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17950,77734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17952,77752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17953,77770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17955,77785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17956,77804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17957,77819,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17958,77833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17959,77847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17960,77867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17961,77889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17962,77913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17963,77930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17964,77947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17965,77975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17966,77999,1,,,,,,, chem_shift_reference,E6N_shifts,17967,78022,1,,,,,,, chem_shift_reference,E6Ndimer_shifts,17968,78044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17969,78065,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1797,78080,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17970,78103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17971,78151,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17972,78183,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17973,78205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17974,78220,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17975,78239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17976,78258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17977,78277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17978,78296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17979,78314,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1798,78327,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17980,78341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17981,78356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17982,78375,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17983,78395,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17985,78414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17986,78433,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17987,78448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17988,78462,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17989,78481,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1799,78494,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17990,78511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17991,78528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17992,78545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17993,78560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17994,78577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17995,78599,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17996,78619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17997,78637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17998,78654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,17999,78671,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,18,78685,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,180,78698,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1800,78711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18000,78731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18001,78749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18002,78771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18003,78791,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18004,78816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18005,78837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18006,78858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18007,78879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18008,78900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18009,78914,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1801,78927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18010,78947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18011,78961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18012,78985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18013,79007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18014,79023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18015,79043,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18016,79065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18017,79084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18018,79103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18019,79119,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1802,79132,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18020,79148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18021,79165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18022,79180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18023,79195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18024,79211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18025,79226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18026,79246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18027,79263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18028,79278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18029,79296,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1803,79309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18031,79330,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18032,79379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18034,79399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18035,79415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18036,79431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18037,79459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18039,79493,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18040,79509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18041,79524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18042,79540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18043,79560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18044,79578,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18045,79595,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18046,79618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18047,79633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18048,79655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18049,79672,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18050,79690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18051,79712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18052,79733,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18053,79754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18054,79771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18055,79786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18056,79801,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18057,79816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18058,79831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18059,79846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18060,79861,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18061,79876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18062,79891,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18063,79906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18064,79921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18065,79936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18066,79951,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18067,79966,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18068,79981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18069,79996,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18070,80011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18071,80026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18072,80041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18073,80056,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18074,80071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18075,80086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18076,80101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18077,80116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18078,80131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18079,80148,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1808,80162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18080,80182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18081,80205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18082,80224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18083,80240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18084,80258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18085,80274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18086,80292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18087,80318,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18088,80345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18089,80362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18090,80384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18091,80406,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18092,80437,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18093,80457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18094,80480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18095,80503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18096,80520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18097,80540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18098,80568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18099,80599,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,181,80612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18101,80630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18102,80646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18103,80670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18104,80689,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,18104,80690,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,18105,80710,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,18105,80711,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,18106,80734,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,18106,80735,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,18107,80750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18108,80766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18109,80781,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1811,80794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18110,80808,1,,,,,,, chem_shift_reference,water_reference,18111,80824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18112,80855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18113,80871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18114,80886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18115,80906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18118,80954,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18119,80978,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1812,80991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18121,81012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18122,81032,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18123,81049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18124,81063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18125,81082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18126,81097,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18127,81112,1,,,,,,,DSS reference for 13C shifts. Liquid NH3 reference for 15N shifts. chem_shift_reference,chemical_shift_reference_1,18128,81127,1,,,,,,,DSS reference for 13C shifts. Liquid NH3 reference for 15N shifts. chem_shift_reference,chemical_shift_reference_1,18129,81142,1,,,,,,,DSS reference for 13C shifts. chem_shift_reference,chem_shift_reference_par_set_one,1813,81155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18130,81170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18131,81185,1,,,,,,,DSS reference for 13C shifts. chem_shift_reference,chemical_shift_reference_1,18132,81203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18133,81217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18134,81234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18135,81253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18137,81271,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18138,81288,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1814,81301,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18141,81320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18142,81339,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18145,81377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18146,81394,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18147,81409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18148,81423,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1815,81436,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18151,81458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18152,81476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18153,81490,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18154,81507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18155,81525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18156,81569,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18157,81584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18158,81629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18159,81647,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1816,81660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18160,81678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18161,81706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18162,81723,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18163,81738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18164,81753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18165,81774,1,,,,,,,Chemical shifts were referenced to TSP indirectly using water signal as an internal reference. chem_shift_reference,chemical_shift_reference_1,18166,81803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18167,81823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18169,81845,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1817,81859,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18170,81875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18171,81892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18175,81906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18176,81923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18177,81940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18178,81960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18179,81979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18180,82016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18181,82037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18182,82057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18183,82074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18184,82089,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18185,82106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18186,82130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18187,82155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18188,82171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18189,82187,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1819,82200,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18190,82217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18191,82240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18192,82270,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18193,82294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18194,82315,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18195,82336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18196,82353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18197,82368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18198,82384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18199,82401,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,182,82414,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1820,82427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18200,82444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18201,82459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18202,82477,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18203,82496,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18204,82510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18205,82525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18206,82543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18207,82558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18208,82573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18209,82591,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1821,82604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18210,82623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18211,82638,1,,,,,,,DSS was used as internal reference. chem_shift_reference,chemical_shift_reference_1,18214,82663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18215,82703,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18216,82721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18217,82743,1,,,,,,,13C chemical shifts should be adjusted by adding 2.8ppm. chem_shift_reference,chemical_shift_reference_1,18218,82770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18219,82790,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1822,82803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18220,82827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18221,82851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18222,82874,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18223,82898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18224,82915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18225,82947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18226,82983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18227,83016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18228,83046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18229,83075,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18230,83101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18231,83136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18232,83164,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,18232,83165,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,18234,83180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18235,83195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18236,83213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18237,83229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18238,83253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18239,83267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18240,83281,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18242,83297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18243,83314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18244,83341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18245,83357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18246,83373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18248,83391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18249,83406,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1825,83419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18250,83435,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18251,83457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18252,83483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18253,83499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18254,83515,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18255,83536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18256,83554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18257,83571,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1826,83593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18260,83607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18261,83630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18262,83649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18263,83687,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18265,83704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18266,83722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18267,83738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18268,83754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18269,83772,1,,,,,,,"1H chemical shifts were referenced to internal 3- (trimethyl-silyl)-1-propanesulfonic acid, sodium salt (DSS). The 13C and 15N chemical shifts were referenced indirectly to DSS." chem_shift_reference,chemical_shift_reference_1,18276,83787,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18277,83806,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18278,83827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18279,83844,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18280,83860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18281,83876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18282,83896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18283,83911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18284,83926,1,,,,,,, chem_shift_reference,chem_shift_reference_N_H,18285,83945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18286,83960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18287,83975,1,,,,,,,referenced to tetramethylsilane chem_shift_reference,chemical_shift_reference_1,18288,83993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18289,84008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18290,84035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18291,84051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18292,84070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18293,84086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18294,84102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18295,84118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18296,84138,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18297,84155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18298,84172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18299,84192,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,183,84205,1,,,,,,, chem_shift_reference,ABU8-1_chemical_shift,18300,84222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18301,84239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18302,84264,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18303,84280,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18306,84331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18307,84351,1,,,,,,, chem_shift_reference,chem_shift_reference_N_H,18308,84370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18309,84385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18310,84401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18312,84417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18313,84436,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18314,84456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18315,84476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18316,84491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18317,84510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18318,84538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18319,84554,1,,,,,,, chem_shift_reference,chem_shift_reference_1,18320,84576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18321,84593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18322,84612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18323,84631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18324,84648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18325,84667,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18326,84689,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18327,84709,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18328,84738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18329,84755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18331,84777,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18332,84797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18333,84815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18334,84833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18335,84851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18336,84867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18337,84906,1,,,,,,,"LACS offset: CA/CB: 0.11 ppm HA: -0.08 ppm CO: -0.14 ppm" chem_shift_reference,chemical_shift_reference_1,18338,84925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18339,84939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18340,84955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18341,84975,1,,,,,,,Referenced relative to DSS. chem_shift_reference,chemical_shift_reference_1,18342,84991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18344,85007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18345,85028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18346,85047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18347,85065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18348,85079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18349,85098,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18350,85112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18351,85170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18352,85206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18353,85223,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18354,85240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18355,85257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18356,85278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18357,85296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18358,85315,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18359,85331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18360,85350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18361,85369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18362,85388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18363,85409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18364,85428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18365,85444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18366,85459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18367,85474,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18368,85489,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18369,85504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18370,85519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18371,85533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18372,85573,1,,,,,,,"lacs offset: CA/CB: 0.09ppm HA: -0.08 ppm C: 0.29ppm" chem_shift_reference,chemical_shift_reference_1,18373,85588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18374,85609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18375,85625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18376,85640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18377,85656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18378,85676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18379,85698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18380,85730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18381,85751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18385,85766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18386,85781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18387,85804,1,,,,,,,Chemical Shifts reference to internal DSS chem_shift_reference,ref,18388,85822,1,,,,,,, chem_shift_reference,ref,18389,85845,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1839,85862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18390,85884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18391,85904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18392,85923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18393,85944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18394,85966,1,,,,,,, chem_shift_reference,chemical_shift_reference_Adam,18395,85983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18396,85998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18397,86013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18398,86030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18399,86044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18400,86063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18403,86080,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18404,86108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18405,86122,1,,,,,,, chem_shift_reference,reference,18406,86139,1,,,,,,, chem_shift_reference,reference,18407,86156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18408,86170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18409,86184,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1841,86197,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18410,86211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18411,86235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18412,86249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18413,86265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18414,86283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18415,86306,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18416,86321,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18417,86336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18418,86354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18419,86377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18420,86395,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18421,86411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18422,86435,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18423,86463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18424,86487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18425,86508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18426,86527,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18427,86549,1,,,,,,,19F Chemical Shifts chem_shift_reference,chemical_shift_reference_1,18428,86565,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18429,86592,1,,,,,,,External DSS standard chem_shift_reference,chem_shift_reference_par_set_one,1843,86605,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,18430,86631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18431,86651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18432,86666,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18433,86686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18434,86706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18435,86726,1,,,,,,, chem_shift_reference,chem_shift_reference_1,18437,86744,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18438,86772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18439,86799,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1844,86817,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,18440,86834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18441,86851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18442,86870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18443,86894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18445,86913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18446,86927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18447,86948,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18448,86964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18449,86980,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1845,86993,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,18452,87010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18453,87029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18454,87048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18455,87068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18458,87085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18459,87107,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1846,87120,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,18461,87144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18462,87175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18463,87193,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18464,87214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18465,87253,1,,,,,,,LACS offset: CA/CB/CO: 0.08 ppm; HA: -0.05 ppm chem_shift_reference,chemical_shift_reference_1,18466,87275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18467,87296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18468,87320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18469,87365,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18470,87382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18471,87396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18472,87410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18473,87426,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18474,87440,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18475,87456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18477,87476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18478,87503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18479,87517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18480,87536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18481,87552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18484,87569,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18485,87590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18486,87609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18487,87639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18488,87660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18489,87690,1,,,,,,,"LACS offset: CA/CB: 0.06 ppm HA: -0.04 ppm CO: 0.72 ppm" chem_shift_reference,chemical_shift_reference_1,18490,87710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18491,87725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18492,87747,1,,,,,,, chem_shift_reference,chemical_shift_reference_Adam,18493,87775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18494,87790,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18495,87807,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18496,87832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18497,87860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18498,87879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18499,87898,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,185,87911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18500,87930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18501,87949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18502,87969,1,,,,,,, chem_shift_reference,DSS,18503,87995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18504,88010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18505,88027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18506,88049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18507,88071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18508,88092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18509,88109,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1851,88122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18510,88136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18511,88161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18513,88175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18514,88197,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18515,88219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18516,88233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18517,88252,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18518,88276,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18519,88294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18520,88313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18521,88337,1,,,,,,, chem_shift_reference,DSS,18522,88359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18523,88380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18524,88401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18526,88432,1,,,,,,,"lacs offset: CA/CB: 0.00ppm CO: 0.69ppm, HA: -0.03ppm" chem_shift_reference,chemical_shift_reference_1,18527,88449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18528,88463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18529,88482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18530,88499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18531,88514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18532,88533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18533,88556,1,,,,,,,referenced to TSPSA chem_shift_reference,chemical_shift_reference_1,18534,88578,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18535,88599,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18536,88615,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18537,88630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18538,88645,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18539,88664,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1854,88677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18540,88694,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18541,88714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18542,88731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18543,88748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18544,88766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18545,88790,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18546,88821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18547,88851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18548,88867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18549,88888,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1855,88901,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18550,88916,1,,,,,,,"Chemical shifts were referenced with respect to external 2,2-dimethyl-2-silapentane-5-sulfonate" chem_shift_reference,chemical_shift_reference_1,18551,88946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18552,88968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18553,88988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18555,89008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18556,89031,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18557,89053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18559,89108,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1856,89121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18560,89142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18561,89171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18562,89188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18563,89218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18565,89233,1,,,,,,, chem_shift_reference,TL-domain_referencing,18566,89253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18567,89267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18568,89284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18569,89308,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1857,89322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18570,89347,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18571,89365,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18572,89385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18573,89405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18574,89422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18575,89438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18576,89452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18577,89467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18578,89482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18579,89509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18659,91114,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1858,89522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18580,89536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18581,89555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18582,89575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18583,89595,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18584,89615,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18585,89630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18586,89651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18587,89671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18588,89685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18589,89705,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1859,89718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18590,89736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18591,89761,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18592,89780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18593,89800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18595,89818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18596,89839,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18598,89856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18599,89883,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,186,89896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18600,89935,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18601,89986,1,,,,,,,13C chemical shifts referenced to Bruker standars. For IUPAC values substract 2.56 ppm chem_shift_reference,chemical_shift_reference_1,18602,90009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18603,90030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18604,90055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18605,90079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18606,90099,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18607,90116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18608,90135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18609,90154,1,,,,,,,13C chemical shifts referenced to Bruker standards chem_shift_reference,chemical_shift_reference_1,18610,90171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18611,90187,1,,,,,,,Pressure and methanol induced A_state of ubiquitin chem_shift_reference,chemical_shift_reference_1,18612,90201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18613,90216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18614,90234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18615,90252,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18617,90303,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18618,90325,1,,,,,,, chem_shift_reference,water,18619,90338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18620,90354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18621,90370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18622,90391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18623,90411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18624,90428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18625,90446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18626,90465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18627,90484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18628,90501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18629,90542,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18630,90558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18631,90574,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18632,90598,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18633,90629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18634,90644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18635,90658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18636,90681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18637,90699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18638,90734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18639,90755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18640,90776,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18641,90794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18642,90819,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18643,90837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18644,90855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18645,90873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18647,90892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18648,90906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18649,90920,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1865,90931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18650,90957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18651,90971,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18652,90986,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18653,91006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18654,91027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18655,91047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18656,91064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18657,91079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18658,91097,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1866,91128,1,,,,,,, chem_shift_reference,methanol,18661,91142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18662,91171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18663,91189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18664,91209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18665,91227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18666,91247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18667,91264,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18668,91282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18669,91300,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1867,91313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18670,91336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18671,91362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18672,91387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18673,91408,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18676,91433,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18677,91452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18678,91467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18679,91482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18680,91497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18681,91512,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18682,91528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18683,91545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18684,91561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18686,91594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18687,91611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18688,91633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18689,91647,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1869,91660,1,,,,,,, chem_shift_reference,H2O,18690,91677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18691,91693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18692,91708,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18693,91726,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18694,91743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18695,91762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18696,91777,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18697,91794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18698,91823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18699,91842,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,187,91855,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1870,91868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18700,91884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18701,91905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18702,91929,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18703,91957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18704,91975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18705,91989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18706,92013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18707,92031,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18708,92051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18709,92070,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1871,92083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18710,92101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18711,92122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18712,92139,1,,,,,,,data was reference to water at 4.773 and 13c and 15n via appropriate ratios (iupac for biomolecules). chem_shift_reference,chemical_shift_reference_1,18713,92162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18714,92185,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18715,92208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18716,92228,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18717,92250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18718,92265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18719,92280,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1872,92293,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18720,92309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18721,92328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18722,92353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18723,92373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18724,92392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18725,92413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18726,92430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18728,92457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18729,92486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18730,92519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18731,92534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18732,92553,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18733,92568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18734,92588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18735,92611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18736,92631,1,,,,,,, chem_shift_reference,SH3C_Ubi,18737,92654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18738,92673,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1874,92686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18740,92702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18741,92729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18748,92747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18749,92766,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1875,92779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18750,92797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18753,92817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18754,92833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18755,92852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18756,92873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18757,92893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18758,92914,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18759,92934,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1876,92947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18760,92963,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18761,92982,1,,,,,,, chem_shift_reference,Chemical_shift_referencing,18762,93001,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18763,93018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18764,93038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18765,93055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18766,93071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18767,93086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18768,93103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18769,93120,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1877,93133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18770,93153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18771,93177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18772,93191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18773,93208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18774,93232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18775,93253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18776,93270,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18777,93288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18778,93317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18779,93333,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1878,93346,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18780,93369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18781,93392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18782,93409,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18783,93425,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18784,93441,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18785,93456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18786,93472,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18787,93495,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18788,93511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18789,93534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18791,93551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18792,93569,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18793,93589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18794,93607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18795,93622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18796,93640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18797,93657,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18798,93675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18799,93692,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,188,93705,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18800,93725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18801,93743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18802,93764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18803,93780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18804,93798,1,,,,,,, chem_shift_reference,DSS,18805,93823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18806,93843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18807,93863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18808,93885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18809,93899,1,,,,,,,referenced to TMS using pentet peak of CD2HOH methanol solvent species located at 3.31 ppm from TMS peak at 0 ppm chem_shift_reference,chem_shift_reference_par_set_one,1881,93912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18811,93932,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18812,93954,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18813,93973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18814,93990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18815,94006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18816,94027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18817,94046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18818,94066,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18819,94083,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1882,94096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18820,94113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18821,94130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18822,94147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18823,94162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18824,94184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18825,94206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18826,94230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18827,94252,1,,,,,,, chem_shift_reference,DSS,18828,94270,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18829,94284,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1883,94297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18830,94311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18831,94326,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18832,94347,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18833,94374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18834,94401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18835,94424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18836,94442,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18837,94465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18838,94487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18839,94506,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1884,94519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18840,94543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18841,94575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18842,94607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18843,94627,1,,,,,,,H2O was used as the reference for 1H (4.75 ppm at 298K). The magnetogyric ratios were used for 13C and 15N. chem_shift_reference,chemical_shift_reference_1,18844,94650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18845,94671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18846,94691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18847,94707,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18848,94725,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18849,94742,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1885,94756,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18850,94777,1,,,,,,, chem_shift_reference,chemical_shift_reference,18851,94796,1,,,,,,, chem_shift_reference,chemical_shift_reference,18852,94814,1,,,,,,,"External DSS referencing for proton, 15N and 13C by frequency ratio" chem_shift_reference,chemical_shift_reference_1,18853,94832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18854,94847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18855,94864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18856,94879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18857,94925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18858,94977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18859,94997,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1886,95011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18860,95027,1,,,,,,, chem_shift_reference,L1,18861,95051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18862,95072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18863,95109,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18864,95139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18865,95170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18867,95190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18868,95208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18869,95239,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1887,95258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18870,95275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18871,95290,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18872,95309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18873,95331,1,,,,,,,referenced with external Sucrose/DSS sample chem_shift_reference,chemical_shift_reference_1,18874,95353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18875,95373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18876,95389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18877,95412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18878,95431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18879,95450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18880,95472,1,,,,,,, chem_shift_reference,chem_shift_reference_1,18881,95503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18882,95522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18883,95541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18884,95562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18885,95576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18887,95594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18888,95621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18889,95644,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1889,95658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18890,95679,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18891,95699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18892,95719,1,,,,,,, chem_shift_reference,DSS,18893,95748,1,,,,,,, chem_shift_reference,DSS,18894,95778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18895,95795,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18896,95817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18897,95841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18898,95860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18899,95876,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,189,95889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18900,95911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18901,95927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18902,95941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18904,95982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18905,95997,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18906,96013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18907,96030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18908,96050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18909,96071,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1891,96087,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18910,96109,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18911,96133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18912,96148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18913,96168,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18914,96188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18915,96203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18916,96225,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18917,96246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18918,96265,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18919,96283,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1892,96296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18920,96317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18921,96335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18922,96351,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18923,96369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18924,96387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18925,96405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18926,96419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18927,96434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18928,96449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18929,96466,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1893,96480,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,18930,96497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18931,96517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18933,96534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18934,96556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18935,96578,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18937,96599,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18938,96618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18939,96638,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18940,96653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18941,96670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18942,96691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18943,96714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18944,96733,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18945,96751,1,,,,,,,Chemical shift reference to water and then indirectly to heteronuclei chem_shift_reference,chemical_shift_reference_1,18946,96772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18947,96786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18948,96800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18949,96814,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1895,96827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18950,96849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18951,96867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18952,96895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18953,96916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18954,96935,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18955,96959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18956,96983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18958,97006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18959,97025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18961,97043,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18963,97064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18964,97083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18965,97100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18966,97115,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18967,97136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18968,97152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18969,97167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18970,97187,1,,,,,,,TSP chem_shift_reference,chemical_shift_reference_1,18971,97212,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18972,97241,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18973,97259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18974,97279,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18975,97298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18976,97323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18977,97344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18978,97371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18979,97388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18980,97407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18981,97424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18982,97447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18984,97464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18985,97481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18986,97499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18987,97525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18988,97545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18989,97572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18990,97597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18991,97616,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18992,97635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18993,97652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18994,97670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18995,97687,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18998,97701,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,18999,97715,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,19,97728,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,190,97743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19000,97768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19001,97791,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19002,97812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19003,97836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19004,97856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19005,97876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19006,97894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19007,97916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19008,97938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19009,97954,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19010,97974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19011,97994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19012,98013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19013,98035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19014,98061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19015,98082,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19017,98096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19018,98114,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19023,98135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19024,98152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19025,98167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19026,98182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19027,98199,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19028,98214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19029,98230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19030,98244,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19031,98260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19032,98274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19033,98293,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19034,98312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19035,98335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19036,98359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19037,98374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19038,98398,1,,,,,,, chem_shift_reference,DSS,19039,98428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19040,98456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19041,98473,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19042,98495,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19043,98516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19044,98531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19045,98551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19046,98573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19047,98603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19048,98634,1,,,,,,,External DSS. chem_shift_reference,chemical_shift_reference_1,19049,98655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19050,98682,1,,,,,,,1H referenced to H2O shift; 13C and 15N referenced indirectly to 1H chem_shift_reference,chemical_shift_reference_1,19051,98699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19052,98714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19053,98729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19054,98749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19055,98763,1,,,,,,,referenced with Sodium DSP chem_shift_reference,chemical_shift_reference_1,19056,98782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19057,98797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19058,98813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19059,98831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19060,98847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19061,98862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19062,98878,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19063,98894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19064,98911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19065,98927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19066,98953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19067,98976,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19068,99005,1,,,,,,,DSS freq: 800.1899131 chem_shift_reference,chemical_shift_reference_1,19069,99028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19070,99049,1,,,,,,,Used the deuterium proton signal as reference chem_shift_reference,chemical_shift_reference_1,19071,99070,1,,,,,,,Used the deuterium proton signal as reference chem_shift_reference,chemical_shift_reference_1,19072,99085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19074,99104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19075,99120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19076,99136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19077,99152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19078,99168,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19079,99189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19080,99208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19081,99227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19082,99249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19083,99263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19084,99277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19085,99291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19086,99309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19087,99324,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19088,99340,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19089,99357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19090,99379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19091,99398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19092,99415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19093,99434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19094,99449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19095,99463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19098,99481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19099,99496,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,191,99509,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference_1,19101,99524,1,,,,,,, chem_shift_reference,methanol,19102,99540,1,,,,,,, chem_shift_reference,ar1248_chemical_shift_reference_1,19103,99556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19104,99570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19105,99588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19106,99608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19107,99625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19108,99652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19109,99669,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1911,99682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19110,99695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19111,99712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19112,99730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19113,99748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19114,99764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19115,99778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19116,99796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19117,99813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19118,99837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19119,99855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19120,99873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19121,99891,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19122,99909,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19123,99927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19124,99942,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19125,99956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19126,99979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19128,100014,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19129,100028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19130,100042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19131,100056,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19132,100070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19133,100084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19134,100099,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19135,100113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19136,100128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19137,100143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19138,100160,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19139,100174,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19140,100189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19141,100206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19142,100225,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19281,102889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19143,100241,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,19144,100260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19145,100282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19146,100300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19147,100317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19148,100331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19149,100347,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19150,100367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19151,100384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19152,100403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19153,100428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19154,100449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19155,100464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19156,100486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19157,100503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19158,100525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19159,100548,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19160,100566,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19161,100584,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19162,100606,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19163,100625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19164,100645,1,,,,,,,"The 13C and 15N chemical shifts were referenced indirectly to DSS, using the absolute frequency ratios, which give corrections of 2.664 ppm and 0.127 ppm, for 13C and 15N, respectively." chem_shift_reference,chemical_shift_reference_1,19165,100665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19167,100685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19168,100711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19169,100738,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1917,100752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19170,100766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19171,100782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19172,100798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19173,100815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19174,100829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19175,100848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19176,100867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19177,100886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19178,100904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19179,100923,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1918,100937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19180,100953,1,,,,,,,"natural abundance (unlabeled) - protons only. Complete, confident assignment of very small Trp-cage miniproteins requires only 1H." chem_shift_reference,chemical_shift_reference_1,19181,100967,1,,,,,,,Internal reference of Chemical shift: DMSO methyl at 2.54 ppm chem_shift_reference,chemical_shift_reference_1,19182,100985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19183,101002,1,,,,,,,"natural abundance (unlabeled) - protons only. Complete, confident assignment of very small Trp-cage miniproteins requires only 1H." chem_shift_reference,chemical_shift_reference_1,19184,101016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19185,101036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19186,101053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19187,101071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19188,101088,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19189,101106,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1919,101122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19190,101143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19191,101159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19192,101178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19193,101198,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19194,101216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19195,101234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19196,101254,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19197,101275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19198,101295,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,192,101308,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1920,101321,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19200,101341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19201,101361,1,,,,,,, chem_shift_reference,reference,19202,101378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19203,101397,1,,,,,,, chem_shift_reference,chem_shift_reference,19204,101412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19205,101428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19206,101448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19207,101462,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19208,101485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19209,101502,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1921,101515,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19282,102910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19283,102930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19285,102962,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19210,101535,1,,,,,,,"The observed 1H chemical shifts were referenced with respect to H2O or HOD signal, which was taken as 4.754 ppm downfield from external sodium 3-trimethylsilylpropionate-2,2,3,3-d4 (TSP) in D2O (0.0 ppm) at 300 K. The nitrogen chemical shift was referenced to external 15NH4Cl (3 mM in 1M HCl) at 300 K, which is 24.93 ppm downfield from liquid NH3." chem_shift_reference,chemical_shift_reference_1,19211,101555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19212,101575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19213,101596,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19214,101617,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19215,101634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19216,101651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19217,101665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19218,101684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19219,101701,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19220,101717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19221,101733,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19222,101759,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19223,101784,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19224,101803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19225,101823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19226,101851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19227,101868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19228,101885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19229,101908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19230,101926,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19231,101946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19232,101973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19233,101993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19234,102013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19235,102037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19236,102054,1,,,,,,,Calibrated with water chemical shift in 1H dimension. Indirectly calibrated 13C and 15N with the suggested corresponding chemical shift ratios. chem_shift_reference,chemical_shift_reference_1,19237,102073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19238,102088,1,,,,,,, chem_shift_reference,ref,19239,102105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19240,102123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19241,102141,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19242,102160,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,19243,102177,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,19244,102194,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,19245,102213,1,,,,,,,"1H chemical shifts were referenced to the methyl signal of DSS, and 15N and 13C chemical shifts were indirectly referenced to DSS (0 ppm for 1H)." chem_shift_reference,chemical_shift_reference_1,19246,102228,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19247,102244,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19248,102262,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19249,102278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19250,102295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19251,102315,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19252,102331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19253,102349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19254,102369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19255,102388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19256,102413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19257,102432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19258,102451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19259,102470,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19260,102499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19261,102516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19262,102533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19263,102550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19264,102567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19266,102588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19267,102605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19268,102630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19269,102647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19270,102663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19271,102680,1,,,,,,, chem_shift_reference,Water_resonance,19272,102700,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19273,102720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19274,102738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19275,102758,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19276,102780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19277,102802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19278,102824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19279,102846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19280,102868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19286,102983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19287,103000,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19288,103022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19290,103042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19291,103057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19292,103074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19293,103090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19294,103105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19295,103121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19296,103139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19297,103157,1,,,,,,,Proton chemical shifts were referenced against external DSS while nitrogen chemical shifts were referenced indirectly to DSS using the absolute frequency ratio. chem_shift_reference,chemical_shift_reference_1,19298,103172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19299,103201,1,,,,,,,Internal DSS was used to reference proton spectrum chem_shift_reference,chem_shift_reference_par_set_one,193,103217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19300,103236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19301,103255,1,,,,,,,"Proton chemical shifts were referenced to external 2,2-dimethyl-2-silapentanesulfonic acid." chem_shift_reference,chemical_shift_reference_1,19302,103275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19303,103295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19304,103312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19305,103332,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19306,103354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19307,103371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19308,103386,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19309,103403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19311,103427,1,,,,,,, chem_shift_reference,DSS,19312,103454,1,,,,,,, chem_shift_reference,DSS,19314,103483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19315,103509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19317,103523,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19318,103540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19319,103564,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19320,103579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19321,103593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19322,103614,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19323,103633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19324,103651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19325,103668,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19327,103696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19328,103730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19329,103762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19330,103779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19331,103804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19332,103818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19333,103841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19334,103858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19335,103875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19336,103893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19337,103908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19338,103923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19339,103938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19340,103957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19342,103972,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19344,103988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19345,104003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19346,104018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19347,104033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19348,104047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19349,104061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19350,104075,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19351,104090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19353,104113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19354,104129,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19355,104145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19356,104175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19357,104194,1,,,,,,,backbone chemical shift assignments for Val66 prodomain isoform of BDNF chem_shift_reference,chemical_shift_reference_1,19358,104210,1,,,,,,,backbone chemical shift assignments for Val66 prodomain isoform of BDNF chem_shift_reference,chemical_shift_reference_1,19362,104258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19363,104283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19364,104301,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19365,104320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19366,104336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19367,104357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19368,104374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19369,104393,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19370,104411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19371,104430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19372,104446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19374,104465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19375,104486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19376,104509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19377,104528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19379,104546,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19380,104567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19381,104585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19382,104607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19383,104622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19384,104643,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19385,104664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19386,104680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19387,104707,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19389,104751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19390,104770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19391,104789,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19392,104804,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19393,104821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19394,104847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19395,104866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19396,104883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19397,104902,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19398,104922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19399,104940,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,194,104953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19400,104975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19402,104996,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19403,105015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19404,105046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19406,105065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19407,105081,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19408,105097,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19409,105113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19410,105129,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19411,105145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19412,105162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19413,105181,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19414,105201,1,,,,,,, chem_shift_reference,DIC4fd.proj,19415,105219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19416,105237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19417,105255,1,,,,,,, chem_shift_reference,DSS,19418,105272,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19419,105291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19421,105326,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19422,105363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19423,105381,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19424,105397,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19425,105415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19426,105433,1,,,,,,, chem_shift_reference,chemical_shift_reference_for_BldD-CTD,19427,105451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19428,105466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19429,105483,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,19429,105484,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,19430,105499,1,,,,,,,reference with ammonium sulfate at 26 ppm chem_shift_reference,chemical_shift_reference_1,19431,105519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19432,105539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19433,105558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19435,105577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19436,105600,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19437,105617,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19438,105632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19439,105655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19440,105674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19441,105696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19442,105718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19443,105732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19444,105755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19446,105770,1,,,,,,, chem_shift_reference,chem_shift_reference,19447,105794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19448,105815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19449,105832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19450,105851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19451,105867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19452,105887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19453,105905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19454,105938,1,,,,,,,reference for 15N was (15NH4)2SO4 chem_shift_reference,chemical_shift_reference_1,19455,105968,1,,,,,,,reference for 15N was (15NH4)2SO4 chem_shift_reference,chemical_shift_reference_1,19456,105996,1,,,,,,,reference for 15N was (15NH4)2SO4 chem_shift_reference,chemical_shift_reference_1,19457,106025,1,,,,,,,reference for 15N was (15NH4)2SO4 chem_shift_reference,chemical_shift_reference_1,19458,106045,1,,,,,,, chem_shift_reference,ref_1,19459,106065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19460,106085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19461,106105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19462,106125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19463,106144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19464,106171,1,,,,,,, chem_shift_reference,DSS,19466,106189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19467,106206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19468,106221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19469,106236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19470,106251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19471,106266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19472,106289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19473,106312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19474,106332,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19476,106348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19477,106363,1,,,,,,, chem_shift_reference,TNRC6Bm1_reference_1,19478,106377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19479,106396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19480,106413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19481,106430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19482,106458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19483,106478,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19484,106497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19485,106511,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19486,106538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19487,106557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19488,106575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19489,106590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19490,106607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19491,106630,1,,,,,,,"1H chemical shift are referenced to internal DSS (present at trace concentrations of 1 to 2 uM). 15N chemical shifts are referenced indirectly by the chemical shift ratio 0.101329118 (IUPAC) 13C chemical shifts are externally referenced to DSS 0 ppm from a natural abundance 13C-1H HSQC spectrum of DSS 20 mM recorded under similar conditions as the protein sample." chem_shift_reference,chemical_shift_reference_1,19493,106649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19494,106666,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19495,106681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19496,106696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19497,106714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19498,106735,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19499,106752,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,195,106765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19500,106782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19501,106802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19502,106829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19503,106845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19504,106862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19505,106879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19506,106896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19507,106910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19508,106927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19510,106944,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19511,106964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19512,106988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19513,107012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19514,107036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19515,107060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19516,107084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19517,107100,1,,,,,,,"13C,15N shifts referenced to DSS 1H shifts referenced to H2O" chem_shift_reference,chemical_shift_reference_1,19518,107123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19519,107139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19520,107157,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19521,107175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19522,107204,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19523,107223,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19524,107240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19525,107258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19526,107277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19527,107294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19528,107311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19530,107325,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19531,107342,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19532,107359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19533,107375,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19534,107401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19535,107421,1,,,,,,,Referenced to H2O chem_shift_reference,chemical_shift_reference_1,19536,107438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19538,107456,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19539,107475,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19540,107493,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19541,107515,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19542,107544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19544,107572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19545,107594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19546,107622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19547,107651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19548,107680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19549,107707,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19550,107732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19551,107751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19552,107775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19553,107797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19554,107821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19555,107839,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19556,107857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19557,107882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19558,107903,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19559,107924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19560,107943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19561,107959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19562,107981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19563,108009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19564,108028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19565,108051,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19566,108072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19567,108095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19568,108115,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19569,108133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19570,108152,1,,,,,,,Referenced to solvent chem_shift_reference,chemical_shift_reference_1,19571,108172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19572,108193,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19573,108208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19575,108229,1,,,,,,,"13C chemical shifts referenced relative to DSS. 15N chemical shifts referenced indirectly to liquid ammonia." chem_shift_reference,chemical_shift_reference_1,19576,108246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19577,108266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19578,108285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19579,108306,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19580,108324,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19581,108341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19582,108359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19583,108377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19584,108393,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19585,108408,1,,,,,,, chem_shift_reference,chem_shift_reference_1,19586,108424,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19587,108443,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19589,108461,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19590,108476,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19591,108491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19592,108510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19593,108532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19594,108555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19595,108574,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19596,108590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19597,108605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19598,108619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19599,108633,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,196,108646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19600,108661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19601,108679,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19602,108709,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19603,108726,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19604,108746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19605,108768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19606,108788,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19607,108805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19608,108832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19609,108850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19610,108873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19611,108893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19613,108913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19614,108933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19615,108948,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19616,108968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19617,108983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19618,109000,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19619,109026,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19620,109048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19621,109070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19622,109091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19623,109112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19624,109128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19625,109146,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19626,109163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19627,109182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19628,109200,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19629,109218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19632,109237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19633,109256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19634,109285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19635,109303,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19637,109319,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19638,109337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19641,109353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19642,109370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19643,109390,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19644,109412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19645,109433,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19646,109460,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19648,109479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19649,109498,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19650,109517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19651,109536,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19653,109559,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19654,109583,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19655,109602,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19656,109621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19657,109638,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19658,109654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19659,109679,1,,,,,,,Chemical Shifts were referenced to water peak position chem_shift_reference,chemical_shift_reference_1,19660,109697,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19661,109722,1,,,,,,,Chemical Shifts were referenced to water peak position chem_shift_reference,chemical_shift_reference_1,19662,109755,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19663,109770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19664,109790,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19666,109811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19667,109826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19668,109854,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19669,109870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19670,109886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19671,109905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19672,109919,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19673,109937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19674,109953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19675,109969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19677,109985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19678,110001,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19679,110017,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1968,110031,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19680,110049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19681,110071,1,,,,,,, chem_shift_reference,DSS,19682,110096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19683,110121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19684,110145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19685,110167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19686,110184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19687,110202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19688,110218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19689,110233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19692,110259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19693,110279,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19694,110300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19695,110320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19696,110340,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19697,110358,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19698,110388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19699,110415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19700,110430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19701,110444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19702,110465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19703,110484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19704,110504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19707,110541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19708,110558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19709,110593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19710,110616,1,,,,,,, chem_shift_reference,DSS,19711,110635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19712,110649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19713,110664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19714,110685,1,,,,,,, chem_shift_reference,DSS,19715,110702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19716,110721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19717,110743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19718,110765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19719,110781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19720,110796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19721,110811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19722,110826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19723,110845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19724,110867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19725,110886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19726,110919,1,,,,,,,Referenced via the absolute 1H frequency of DSS chem_shift_reference,chemical_shift_reference_1,19727,110945,1,,,,,,, chem_shift_reference,VK1_chemical_shift_reference,19728,110961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19729,110978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19730,110995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19731,111015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19732,111034,1,,,,,,,proton referencing via solvent frequency (4.63 ppm at 310 K) chem_shift_reference,chemical_shift_reference_1,19733,111050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19734,111067,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19735,111091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19736,111109,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19737,111128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19738,111152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19739,111167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19740,111191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19741,111211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19742,111226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19743,111240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19744,111256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19745,111271,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19746,111295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19747,111313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19748,111333,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19749,111363,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1975,111376,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19750,111394,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19751,111411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19752,111429,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19753,111448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19754,111466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19755,111487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19757,111502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19758,111517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19759,111537,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19763,111560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19764,111579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19765,111597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19766,111625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19767,111641,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19768,111661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19769,111677,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1977,111690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19771,111710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19773,111729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19774,111748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19775,111767,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19776,111789,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19777,111812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19778,111839,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19779,111863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19782,111879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19783,111901,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19784,111923,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19787,111942,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19788,111961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19789,111984,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19791,112010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19792,112029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19796,112044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19797,112058,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19798,112074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19799,112090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19800,112105,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19801,112124,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19803,112142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19805,112155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19806,112176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19807,112196,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19808,112216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19809,112234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19810,112251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19811,112266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19813,112283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19814,112297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19815,112311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19816,112337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19817,112363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19818,112380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19819,112400,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19821,112417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19822,112439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19823,112453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19824,112469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19825,112483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19826,112504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19828,112521,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19829,112539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19830,112553,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19831,112568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19832,112586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19833,112604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19834,112621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19835,112648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19836,112676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19837,112704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19838,112720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19839,112736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19840,112751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19841,112766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19842,112795,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19843,112823,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19844,112837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19845,112853,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19846,112873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19847,112893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19848,112912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19849,112930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19850,112950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19851,112973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19852,112994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19853,113011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19854,113032,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19855,113055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19856,113078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19857,113103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19858,113127,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19859,113146,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19860,113165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19861,113184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19862,113203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19863,113223,1,,,,,,, chem_shift_reference,Linear_analysis_of_chemical_shifts,19864,113239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19865,113253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19866,113268,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19867,113288,1,,,,,,,"15N chemical shift reference: In all spectra 15N chemical shifts were referenced to the nitrogen signal of an aqueous solution of 15N- labeled ammonium sulphate [(15NH4)2SO4] (5%, pH 3.1) at 26.8 ppm. 13C chemical shift reference: 13C spectra were referenced to the carbonyl carbon resonance of Glycine at 178.4 ppm with respect to TMS." chem_shift_reference,chemical_shift_reference_1,19869,113309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19870,113328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19872,113356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19873,113372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19874,113387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19875,113402,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19876,113435,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19878,113451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19879,113466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19880,113491,1,,,,,,,"reference spectra was measured afterwards, as possible influence of DSS on the sample wanted to be avoided. The chemical shifts list are not shifted." chem_shift_reference,chemical_shift_reference_1,19881,113513,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19882,113533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19883,113553,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19884,113569,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19885,113585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19886,113599,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19887,113614,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19888,113634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19889,113654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19890,113672,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19891,113689,1,,,,,,, chem_shift_reference,none,19892,113706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19893,113726,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,199,113739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19901,113753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19902,113773,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19904,113797,1,,,,,,, chem_shift_reference,DSS,19905,113814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19906,113829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19907,113846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19908,113864,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1991,113877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19910,113900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19911,113918,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19912,113941,1,,,,,,,"Chemical shifts were referenced to the chemical shift of water resonance at the corresponding temperature, with respect to DSS." chem_shift_reference,chemical_shift_reference_2,19912,113942,2,,,,,,,"Chemical shifts were referenced to the chemical shift of water resonance at the corresponding temperature, with respect to DSS." chem_shift_reference,chemical_shift_reference_1,19913,113962,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19914,113979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19915,113994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19916,114011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19917,114028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19921,114049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19922,114064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19923,114079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19925,114095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19926,114110,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19927,114128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19928,114145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19929,114164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19930,114182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19931,114199,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19932,114219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19933,114234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19934,114254,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19935,114276,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19936,114297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19937,114320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19938,114341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19939,114361,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19940,114380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19941,114401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19942,114416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19943,114430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19945,114449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19946,114465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19947,114483,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19948,114500,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19949,114520,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1995,114535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19951,114560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19952,114579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19953,114600,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19954,114616,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19955,114636,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19957,114656,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,19958,114680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19959,114698,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1996,114711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19960,114731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19961,114754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19962,114768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19963,114786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19966,114809,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19967,114825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19968,114845,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1997,114858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19970,114877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19971,114898,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19972,114915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19973,114933,1,,,,,,, chem_shift_reference,BA42,19974,114949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19976,114965,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19977,114989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19978,115008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19979,115027,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1998,115040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19980,115059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19981,115079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19982,115093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19984,115111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19985,115132,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19986,115152,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19987,115171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19988,115190,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19989,115214,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,1999,115227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19990,115243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19991,115260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19992,115274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19993,115289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19994,115309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19995,115323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19996,115339,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19998,115357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,19999,115371,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,200,115384,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2000,115397,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20001,115413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20002,115436,1,,,,,,, chem_shift_reference,TSP,20003,115452,1,,,,,,, chem_shift_reference,TSP,20004,115470,1,,,,,,,TSP as reference chem_shift_reference,TSP,20005,115488,1,,,,,,,TSP as reference chem_shift_reference,chemical_shift_reference_1,20007,115509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20008,115528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20009,115549,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2001,115562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20012,115612,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20013,115629,1,,,,,,, chem_shift_reference,DSS,20014,115650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20015,115673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20016,115690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20017,115708,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20018,115726,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20019,115750,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2002,115765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20020,115786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20022,115803,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20023,115829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20024,115848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20025,115869,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20026,115886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20027,115911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20028,115929,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20029,115951,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2003,115968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20030,115988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20031,116012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20032,116035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20033,116060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20034,116080,1,,,,,,,DSS (0.0 ppm) as internal standard chem_shift_reference,chemical_shift_reference_1,20036,116096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20037,116113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20038,116130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20039,116147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20040,116166,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20041,116184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20042,116202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20043,116220,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20044,116242,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20045,116262,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20046,116282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20047,116303,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20048,116329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20049,116356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20050,116376,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20051,116395,1,,,,,,, chem_shift_reference,chemical_shift_Reference,20052,116416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20053,116435,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20054,116458,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20055,116481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20056,116497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20057,116513,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20058,116529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20059,116545,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2006,116560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20060,116574,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20061,116590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20062,116606,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20063,116624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20064,116640,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20065,116657,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20066,116674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20067,116690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20068,116706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20069,116724,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20070,116742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20071,116759,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20072,116776,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20073,116793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20074,116809,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20075,116827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20076,116845,1,,,,,,, chem_shift_reference,1H,20078,116865,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20079,116887,1,,,,,,, chem_shift_reference,DSS,20080,116907,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20081,116926,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20082,116946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20084,116974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20085,116994,1,,,,,,,Internal DSS was used to reference the spectra chem_shift_reference,chemical_shift_reference_1,20086,117010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20087,117029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20088,117048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20089,117067,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20090,117084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20091,117101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20092,117120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20093,117137,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20094,117155,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20095,117172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20098,117189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20101,117206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20102,117224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20103,117243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20104,117263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20105,117280,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20107,117300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20108,117318,1,,,,,,,4.7 ppm of H2O peak chem_shift_reference,chemical_shift_reference_1,20109,117334,1,,,,,,,Chemical shift was referenced to the internal standard DSS (contained in the D2O) chem_shift_reference,chemical_shift_reference_1,20110,117353,1,,,,,,,All 15N and 13C shifts are from natural abundance spectra and were referenced to the water resonance line (indirect referencing) chem_shift_reference,chemical_shift_reference_1,20111,117373,1,,,,,,,4.7 ppm of H2O peak chem_shift_reference,chemical_shift_reference_1,20112,117391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20113,117413,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,20113,117414,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,20114,117431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20115,117447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,20116,117463,1,,,,,,, chem_shift_reference,chem_shift_reference_1,20117,117480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20118,117497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20119,117513,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2012,117529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20121,117544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20122,117563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20123,117580,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20124,117597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20125,117613,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20126,117633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20127,117649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,20128,117670,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2013,117683,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2014,117696,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2024,117709,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2030,117722,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2031,117735,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2038,117748,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2039,117761,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2040,117774,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2042,117787,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2043,117800,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2047,117814,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2048,117828,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2049,117841,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2050,117854,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2051,117867,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2052,117880,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2053,117893,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2059,117907,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2060,117920,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2061,117933,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2062,117948,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2063,117961,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2065,117974,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2066,117987,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2067,118000,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2068,118013,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2069,118026,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2070,118039,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2071,118052,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2074,118065,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2075,118078,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2076,118091,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2077,118104,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2078,118117,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,21,118130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21000,118144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21001,118167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21002,118182,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,21006,118201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21007,118221,1,,,,,,, chem_shift_reference,1H,21008,118237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21009,118256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21010,118275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21011,118292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21013,118306,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21014,118324,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21015,118341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21018,118360,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21019,118374,1,,,,,,, chem_shift_reference,chemical_shift_reference_DMSO,21022,118388,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21023,118402,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21024,118418,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21025,118432,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21026,118446,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21027,118464,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_DMSO,21028,118482,1,,,,,,,Relative to DMSO at 2.50 ppm chem_shift_reference,chemical_shift_reference_1,21031,118504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21032,118527,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21033,118551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21034,118575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21035,118591,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21036,118606,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21037,118622,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21038,118638,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21039,118653,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21040,118668,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21041,118684,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21042,118700,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21045,118715,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21046,118730,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21047,118745,1,,,,,,,referenced CD3CN to 1.94ppm chem_shift_reference,chemical_shift_reference_1,21053,118766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21054,118787,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21056,118805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21057,118821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21058,118836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21059,118851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21062,118868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21064,118886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21065,118904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21066,118922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21067,118940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21068,118958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21069,118976,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21070,118995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21071,119014,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21072,119033,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21073,119052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21074,119073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21075,119095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21076,119117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21077,119139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21078,119161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21079,119177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21082,119195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21084,119211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21085,119227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,21086,119243,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2113,119256,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2114,119269,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2115,119282,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2116,119295,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2117,119308,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2118,119322,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2151,119335,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,216,119350,1,,,,,,, chem_shift_reference,chemical_shift_reference,2169,119376,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,217,119391,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2173,119404,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,218,119419,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,219,119434,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2192,119447,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2193,119460,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2196,119473,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2197,119486,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2198,119499,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2199,119515,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,220,119530,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2200,119544,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2201,119557,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2202,119572,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2203,119587,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2204,119600,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2205,119613,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2206,119626,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2207,119639,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2208,119652,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2209,119665,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,221,119680,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2217,119693,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2218,119707,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2219,119720,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,222,119735,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2220,119748,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2221,119761,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2222,119774,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2223,119788,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2224,119801,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2225,119814,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2226,119827,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2227,119840,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2228,119853,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2229,119866,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,223,119881,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2231,119894,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2232,119907,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2233,119920,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2234,119933,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2235,119946,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2236,119959,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,224,119974,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2247,119987,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2249,120000,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,225,120015,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,226,120030,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2261,120043,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2262,120056,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2263,120069,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2265,120080,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2266,120092,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2267,120106,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2268,120120,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2269,120134,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,227,120149,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2270,120163,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2271,120177,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2272,120189,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2274,120202,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2275,120215,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2276,120231,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2277,120246,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2278,120259,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2279,120277,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,228,120290,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2281,120303,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2282,120317,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2283,120330,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2284,120343,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2285,120356,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2288,120369,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,229,120385,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,23,120398,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2324,120412,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2325,120426,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2326,120440,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2327,120453,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2328,120468,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2329,120481,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,233,120496,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2331,120509,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2338,120522,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,234,120537,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2345,120550,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2346,120563,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2347,120576,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2348,120589,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,235,120605,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2352,120618,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2353,120631,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,236,120644,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2366,120660,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2367,120676,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2368,120690,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,237,120703,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2371,120716,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,238,120729,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2384,120742,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,239,120755,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2395,120768,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2396,120781,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,24,120796,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,240,120809,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,241,120822,1,,,,,,, chem_shift_reference,chemical_shift_reference,2410,120839,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,242,120852,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2425,120865,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2426,120878,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,243,120891,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2431,120904,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2432,120917,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2433,120930,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2434,120943,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2435,120955,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2436,120967,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2437,120979,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2438,120992,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2439,121005,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,244,121018,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2440,121031,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2442,121044,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2443,121057,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2446,121070,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,245,121084,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2454,121096,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2455,121109,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2457,121122,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,246,121133,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,2463,121146,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,247,121159,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2472,121172,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2473,121185,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2474,121198,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2475,121211,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2476,121224,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,248,121237,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2488,121250,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2489,121263,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,249,121277,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2498,121290,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,25,121303,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,250,121317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25000,121338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25001,121355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25002,121374,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25003,121390,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25004,121405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25005,121430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25007,121447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25008,121463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25009,121477,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25010,121494,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25011,121508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25012,121522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25016,121582,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25018,121609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25019,121629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25020,121644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25021,121659,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25022,121679,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25023,121693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25024,121707,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25025,121724,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25026,121752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25027,121770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25028,121788,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25029,121802,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25030,121820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25031,121836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25032,121850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25033,121869,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25034,121890,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25035,121917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25036,121938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25037,121958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25038,121978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25039,121998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25040,122018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25041,122040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25042,122063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25043,122086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25044,122103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25046,122119,1,,,,,,,Proton chemical shifts were referenced against external DSS and nitrogen chemical shifts references indirectly to DSS using the absolute frequency ratio. chem_shift_reference,chemical_shift_reference_1,25047,122138,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25048,122159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25049,122173,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25050,122192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25052,122210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25059,122229,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2506,122242,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25060,122260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25061,122285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25062,122311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25063,122335,1,,,,,,,"TROSY-type data was corrected to reference non-trosy shifts (approximately H:+0.048, N:-0.428, C:+0.372 ppm)" chem_shift_reference,chemical_shift_reference_1,25064,122357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25065,122385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25066,122405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25067,122430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25068,122448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25069,122464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25070,122487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25071,122508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25072,122526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25076,122540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25077,122558,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,25077,122559,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,25078,122575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25079,122594,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25080,122616,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25081,122635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25082,122655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25083,122673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25084,122687,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25085,122704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25086,122722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25087,122742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25088,122762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25092,122779,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25093,122796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25094,122811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25096,122829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25098,122850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25099,122864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25100,122883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25101,122910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25102,122931,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25104,122946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25106,122961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25107,122978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25108,122995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25109,123017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25110,123037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25112,123052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25114,123074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25115,123096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25116,123121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25118,123135,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,25119,123150,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2512,123163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25120,123178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25121,123195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25122,123218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25123,123236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25124,123255,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25125,123273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25127,123294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25128,123308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25129,123323,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2513,123336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25130,123354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25131,123368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25132,123388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25134,123404,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25135,123422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25136,123439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25137,123461,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25138,123480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25139,123501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25140,123519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25141,123537,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25142,123552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25143,123574,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25145,123597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25146,123618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25147,123634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25148,123652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25149,123669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25150,123684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25151,123702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25152,123717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25153,123736,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25154,123753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25155,123770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25156,123788,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25157,123806,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25158,123825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25159,123845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25160,123864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25161,123882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25162,123900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25163,123921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25164,123946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25165,123974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25166,123998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25167,124016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25168,124035,1,,,,,,, chem_shift_reference,RCB-1_chemical_shifts,25169,124059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25171,124076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25172,124106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25173,124120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25174,124136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25175,124157,1,,,,,,, chem_shift_reference,H,25176,124175,1,,,,,,, chem_shift_reference,chemical_shift_reference,25177,124194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25178,124211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25179,124232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25180,124253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25181,124271,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25182,124288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25183,124305,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25184,124322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25185,124339,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25186,124355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25187,124372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25188,124397,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25189,124412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25190,124427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25191,124441,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25192,124464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25193,124492,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25194,124513,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25195,124533,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25196,124551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25197,124568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25199,124584,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,252,124597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25200,124611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25201,124625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25202,124639,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25203,124653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25204,124667,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25205,124686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25206,124700,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25207,124714,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25208,124733,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25209,124748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25210,124766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25211,124780,1,,,,,,, chem_shift_reference,TSP-d4,25212,124798,1,,,,,,,"3-(trimethylsilyl)-propionic-2,2,3,3 2H4 acid" chem_shift_reference,chemical_shift_reference_1,25213,124816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25214,124834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25215,124848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25217,124863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25218,124877,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25219,124896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25220,124915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25221,124937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25222,124953,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25223,124974,1,,,,,,,Chemical shift reference to water and then indirectly to heteronuclei chem_shift_reference,chemical_shift_reference_1,25224,124990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25225,125009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25226,125028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25227,125048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25228,125068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25229,125092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25230,125121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25231,125135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25232,125159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25233,125176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25234,125194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25235,125214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25236,125230,1,,,,,,,F19 assignment for residue 14 (PFF) chem_shift_reference,chemical_shift_reference_1,25237,125257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25238,125277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25239,125292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25240,125312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25241,125331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25242,125351,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25243,125369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25244,125385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25247,125401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25248,125421,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25249,125441,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25250,125463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25251,125484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25253,125499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25254,125516,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25257,125531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25259,125549,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25260,125567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25261,125585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25263,125602,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25264,125620,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25265,125636,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25266,125654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25267,125668,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25268,125686,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25269,125706,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2527,125719,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25270,125737,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25271,125754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25272,125768,1,,,,,,, chem_shift_reference,Chem_shift_reference_1,25273,125783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25274,125797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25275,125816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25276,125835,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25277,125854,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25278,125870,1,,,,,,,Note...Ca/Cb uncorrected for deuteration. chem_shift_reference,chem_shift_reference_par_set_one,2528,125883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25280,125904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25281,125924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25282,125942,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25283,125959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25284,125980,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25285,125999,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25286,126016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25287,126037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25288,126061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25289,126081,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2529,126096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25290,126113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25291,126131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25292,126147,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,25293,126163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25294,126183,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25295,126201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25296,126227,1,,,,,,,1H-15N backbone. chem_shift_reference,chemical_shift_reference_1,25297,126246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25298,126270,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25299,126284,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,253,126297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25300,126313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25301,126327,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25302,126351,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25303,126365,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25304,126379,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25305,126393,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25306,126414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25307,126434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25308,126448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25309,126465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25310,126482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25311,126499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25312,126526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25313,126554,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25314,126571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25315,126588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25316,126606,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25317,126625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25318,126644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25319,126663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25320,126682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25321,126701,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25322,126720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25323,126739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25324,126761,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25325,126775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25326,126794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25327,126814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25328,126830,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25329,126845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25330,126862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25331,126882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25332,126902,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25333,126917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25334,126933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25335,126947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25336,126964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25337,126985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25338,127005,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25339,127024,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25340,127042,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25341,127060,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25342,127087,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25343,127108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25344,127125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25345,127142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25346,127156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25347,127184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25348,127212,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25349,127230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25350,127249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25351,127267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25352,127281,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25353,127295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25354,127309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25355,127323,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25356,127337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25357,127351,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25358,127367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25359,127383,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25360,127399,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25361,127415,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25362,127431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25363,127450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25364,127466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25365,127480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25366,127497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25367,127515,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25368,127530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25369,127550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25370,127567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25372,127600,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25375,127624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25376,127645,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25377,127661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25378,127681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25379,127697,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25380,127711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25381,127731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25382,127746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25383,127765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25384,127781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25385,127797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25386,127821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25387,127837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25389,127854,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2539,127871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25390,127888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25391,127907,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25393,127921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25394,127937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25395,127952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25396,127970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25397,127989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25398,128010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25399,128025,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,254,128038,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25400,128057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25401,128073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25402,128088,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25403,128104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25404,128118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25405,128133,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25406,128147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25407,128163,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25408,128177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25409,128191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25410,128207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25411,128224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25413,128240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25414,128262,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25415,128283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25416,128301,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25417,128316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25418,128336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25419,128353,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2542,128366,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25420,128387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25421,128403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25422,128428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25423,128450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25424,128464,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25425,128490,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25426,128505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25427,128532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25428,128550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25429,128565,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25430,128581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25432,128598,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25433,128618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25434,128635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25435,128654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25436,128677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25437,128693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25439,128715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25440,128734,1,,,,,,,113Cd chemical shifts chem_shift_reference,chemical_shift_reference_1,25441,128751,1,,,,,,,backbone assignments chem_shift_reference,chemical_shift_reference_1,25442,128775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25443,128798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25445,128813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25446,128828,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25447,128843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25448,128868,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25449,128887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25451,128908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25452,128928,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25453,128945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25454,128963,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25455,128981,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25456,128996,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25457,129011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25458,129029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25459,129051,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2546,129064,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25460,129085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25461,129106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25462,129125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25463,129144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25464,129164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25465,129184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25466,129198,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25467,129214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25468,129233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25469,129254,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2547,129267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25470,129282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25471,129296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25472,129310,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25473,129332,1,,,,,,, chem_shift_reference,TSP-d4,25474,129348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25475,129367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25476,129389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25477,129408,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25478,129422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25479,129438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25481,129453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25482,129478,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25483,129497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25484,129521,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25485,129546,1,,,,,,, chem_shift_reference,TSP,25486,129563,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25487,129580,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25488,129604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25489,129630,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25490,129650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25491,129670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25492,129689,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25493,129710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25494,129727,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25495,129754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25496,129773,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25497,129792,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25498,129811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25499,129830,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,255,129843,1,,,,,,, chem_shift_reference,chem_shift_reference_1,25500,129859,1,,,,,,, chem_shift_reference,chem_shift_reference_1,25501,129876,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25502,129893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25504,129929,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25505,129943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25506,129963,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25507,129980,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25508,129999,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25509,130047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25510,130061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25511,130081,1,,,,,,, chem_shift_reference,TSP,25512,130107,1,,,,,,,Referencing using the water signal relative to TSP as implemented in NMRPipe. chem_shift_reference,chemical_shift_reference_1,25513,130130,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25514,130148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25515,130165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25516,130182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25517,130197,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25518,130220,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25519,130237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25520,130257,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25521,130274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25522,130291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25523,130308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25524,130328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25525,130347,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25526,130381,1,,,,,,, chem_shift_reference,chemical_shift_reference_dss,25527,130412,1,,,,,,,Chemical shifts were referenced with respect to DSS. chem_shift_reference,chemical_shift_reference_1,25528,130432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25529,130452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25530,130469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25531,130488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25532,130503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25533,130523,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25534,130538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25535,130552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25536,130571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25537,130586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25538,130607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25539,130623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25540,130646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25541,130663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25542,130680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25543,130698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25544,130715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25545,130734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25546,130753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25548,130768,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25549,130783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25551,130806,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25552,130826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25553,130844,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25554,130858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25555,130875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25556,130896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25557,130913,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25558,130940,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25559,130960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25560,130974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25561,130988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25562,131012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25564,131037,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25565,131055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25566,131072,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25567,131090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25568,131108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25569,131127,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25570,131145,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25571,131183,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25572,131197,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25573,131221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25574,131245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25575,131264,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25576,131287,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25577,131310,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25582,131326,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25584,131345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25585,131363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25586,131382,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,25586,131383,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,25587,131401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25588,131434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25590,131452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25591,131468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25592,131485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25593,131504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25595,131519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25596,131540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25597,131559,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25598,131575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25599,131591,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,256,131605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25600,131619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25601,131647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25602,131662,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25603,131683,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25604,131704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25605,131722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25606,131738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25607,131754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25609,131771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25610,131789,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25611,131814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25612,131846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25613,131866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25614,131883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25615,131900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25616,131916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25617,131933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25618,131949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25619,131966,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25620,131982,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25621,131998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25622,132014,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25623,132030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25624,132046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25625,132063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25626,132079,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25627,132097,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25628,132111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25629,132125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25630,132142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25631,132161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25632,132176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25634,132194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25636,132211,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25638,132232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25639,132250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25640,132274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25642,132298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25643,132314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25645,132340,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25646,132354,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25647,132368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25648,132382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25649,132410,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25650,132429,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25651,132450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25652,132490,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25653,132509,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25654,132532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25655,132559,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25656,132576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25657,132600,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25658,132627,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,25658,132628,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,25659,132651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25660,132678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25661,132717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25662,132747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25663,132772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25664,132797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25665,132818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25666,132850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25667,132870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25668,132888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25669,132910,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25670,132924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25671,132946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25672,132968,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25673,132987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25674,133005,1,,,,,,,Not corrected for TROSY and not isotope corrected. chem_shift_reference,chemical_shift_reference_1,25675,133020,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25676,133034,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25677,133052,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25678,133069,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25679,133086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25680,133103,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25681,133120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25682,133137,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25683,133154,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25684,133181,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,25685,133214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25686,133232,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25688,133246,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25689,133262,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25690,133282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25691,133296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25692,133314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25693,133334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25694,133356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25696,133370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25697,133384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25698,133399,1,,,,,,, chem_shift_reference,Ref1,25699,133413,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,257,133426,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25700,133447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25701,133469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25702,133484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25703,133498,1,,,,,,, chem_shift_reference,IUPAC_referenced,25704,133514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25705,133531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25706,133550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25707,133569,1,,,,,,,"Ub methyl chemical shifts (parkin R0RBR-bound) were assigned by comparison to free WT Ub (BMRB ID 4769) and following chemical shift pertubations upon incremental parkin R0RBR titrations." chem_shift_reference,chemical_shift_reference_1,25708,133585,1,,,,,,,"Ub S65E methyl chemical shifts were assigned by comparison with free WT Ub methyl chemical shifts (BMRB ID 4769). Backbone amide chemical shifts were assigned with the acquired 2D 1H-15N HSQC and 3D HNCA, and were cross-checked with WT Ub (ID 4769)." chem_shift_reference,chemical_shift_reference_1,25709,133605,1,,,,,,,Ub S65E methyl chemical shifts (parkin R0RBR-bound) were assigned by comparison with free and parkin-bound WT Ub methyl chemical shifts (BMRB ID 4769). chem_shift_reference,chemical_shift_reference_1,25710,133622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25711,133641,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25712,133659,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25713,133678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25714,133698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25715,133718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25716,133738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25717,133757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25718,133778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25719,133799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25720,133818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25721,133833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25722,133847,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25723,133870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25724,133892,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25725,133911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25726,133925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25727,133945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25728,133965,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25729,133983,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2573,133996,1,,,,,,, chem_shift_reference,chemical_shift_reference_set,25730,134011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25731,134028,1,,,,,,, chem_shift_reference,chemical_shifts,25732,134047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25734,134065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25735,134083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25736,134101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25737,134121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25738,134139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25739,134157,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2574,134170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25740,134189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25741,134209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25742,134227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25743,134241,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25744,134258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25745,134275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25746,134297,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25748,134312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25749,134327,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2575,134340,1,,,,,,, chem_shift_reference,chemical_shift_reference,25750,134355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25751,134370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25752,134394,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25753,134416,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25754,134432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25755,134454,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25756,134471,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25757,134488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25758,134503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25759,134520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25760,134535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25761,134550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25762,134568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25763,134589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25764,134606,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25765,134622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25766,134647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25767,134663,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25768,134682,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25769,134696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25770,134719,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25771,134734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25772,134749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25773,134764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25774,134782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25775,134800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25776,134824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25777,134846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25778,134864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25779,134880,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25780,134900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25781,134919,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25782,134936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25783,134952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25784,134971,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25785,134988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25786,135007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25787,135027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25788,135051,1,,,,,,,DSS scale using adamantane as a secondary reference. chem_shift_reference,dss,25789,135073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25790,135089,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25791,135106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25792,135122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25793,135143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25794,135171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25796,135192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25797,135210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25798,135238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25799,135273,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,258,135287,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2580,135300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25800,135320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25801,135337,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25802,135353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25803,135368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25804,135386,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25805,135401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25806,135419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25807,135451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25808,135467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25809,135482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25810,135507,1,,,,,,,19F chemichal shift deposited referenced relative to trifluoroacetic acid (TFA) chem_shift_reference,chemical_shift_reference_1,25811,135531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25813,135548,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25814,135567,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25816,135581,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25817,135595,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25818,135609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25819,135623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25820,135642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25821,135657,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25825,135676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25826,135702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25827,135718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25828,135735,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25829,135754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25830,135771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25831,135796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25832,135812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25833,135831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25834,135852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25835,135870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25836,135887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25837,135908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25838,135924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25839,135946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25840,135985,1,,,,,,,19F chem_shift_reference,TSP,25844,136003,1,,,,,,,SIGMA 293040 0.75 wt % TSP chem_shift_reference,TSP,25845,136022,1,,,,,,,SIGMA 293040 0.75 wt % TSP chem_shift_reference,chemical_shift_reference_1,25846,136040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25847,136059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25848,136078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25849,136093,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25850,136117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25851,136138,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25852,136153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25853,136175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25854,136196,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25855,136217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25856,136235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25857,136249,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25858,136263,1,,,,,,, chem_shift_reference,chemical_shift_referencing,25859,136292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25860,136313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25861,136332,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25863,136349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25864,136367,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25865,136386,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25866,136403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25867,136422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25868,136447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25869,136470,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25870,136489,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25871,136506,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25872,136524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25873,136538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25874,136560,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25875,136577,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25877,136593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25878,136609,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25879,136625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25880,136641,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25881,136658,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,25881,136659,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,25882,136677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25883,136694,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25885,136712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25886,136737,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25887,136754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25888,136794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25889,136820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25890,136845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25891,136871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25892,136896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25893,136919,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25894,136946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25895,136969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25896,136985,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25897,137001,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25898,137016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25899,137037,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,259,137050,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2590,137063,1,,,,,,, chem_shift_reference,1H,25900,137078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25901,137100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25902,137119,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25903,137136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25904,137153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25905,137167,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25906,137184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25907,137207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25908,137229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25909,137250,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2591,137263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25910,137282,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25911,137296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25912,137311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25913,137333,1,,,,,,,DSS as internal reference chem_shift_reference,chemical_shift_reference_1,25914,137358,1,,,,,,,DSS as internal reference chem_shift_reference,chemical_shift_reference,25915,137380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25916,137401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25917,137420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25918,137438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25919,137455,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2592,137468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25920,137485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25921,137502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25922,137519,1,,,,,,, chem_shift_reference,chem_shift_reference_1,25923,137539,1,,,,,,, chem_shift_reference,cs_ref,25924,137557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25925,137572,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25926,137588,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25927,137608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25928,137623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25929,137642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25930,137661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25931,137675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25932,137689,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25933,137710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25934,137729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25935,137747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25939,137764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25941,137780,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25942,137795,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25943,137817,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25944,137834,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25945,137858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25946,137882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25947,137896,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25948,137915,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25949,137933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25950,137951,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25951,137969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25952,137986,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25953,138012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25954,138027,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25955,138044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25956,138059,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25957,138078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25958,138107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25959,138129,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25961,138143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25962,138162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25963,138180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25964,138200,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25965,138214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25966,138228,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25967,138248,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25968,138263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25969,138277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25970,138292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25971,138311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25972,138325,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25973,138339,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25974,138359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25975,138378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25976,138395,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25979,138419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25982,138440,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25983,138462,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25984,138485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25985,138504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25986,138524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25987,138544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25988,138561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25989,138579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25990,138596,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25991,138615,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25992,138632,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25993,138653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25994,138677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25995,138698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25996,138716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25997,138740,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25998,138764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,25999,138788,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,26,138801,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,260,138814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26000,138838,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26001,138859,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26002,138882,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26003,138921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26004,138964,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26005,138997,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26006,139013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26007,139029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26008,139045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26009,139061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26010,139081,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26011,139101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26012,139123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26016,139147,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26021,139165,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26022,139184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26024,139205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26025,139240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26026,139263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26027,139280,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26028,139299,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26029,139317,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26030,139336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26031,139360,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26032,139376,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26033,139392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26034,139411,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26035,139431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26036,139446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26037,139460,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26038,139474,1,,,,,,, chem_shift_reference,DSS,26040,139488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26041,139514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26042,139540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26043,139564,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26044,139580,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26045,139611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26046,139635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26047,139655,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26048,139678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26049,139692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26050,139706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26051,139720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26052,139742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26053,139763,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26054,139777,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26055,139796,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26056,139810,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26057,139828,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26058,139843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26059,139868,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2606,139881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26060,139906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26061,139924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26062,139938,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26063,139952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26064,139969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26065,139986,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26066,140003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26068,140018,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26069,140036,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2607,140049,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2608,140062,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2609,140075,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,261,140088,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2610,140101,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2611,140114,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2612,140127,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2613,140140,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2614,140153,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2615,140166,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2616,140179,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2617,140192,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2618,140205,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2619,140218,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,262,140231,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2620,140244,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2621,140257,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2622,140270,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2623,140283,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2624,140296,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2625,140309,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2627,140322,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2628,140335,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,263,140348,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2630,140361,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2631,140374,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2632,140387,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2638,140400,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2639,140413,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,264,140426,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2640,140439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2641,140452,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2642,140465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26509,140662,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2651,140675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26512,140738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26517,140860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26518,140879,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2652,140911,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26526,140977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26527,140992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26528,141008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26529,141024,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26530,141041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26531,141057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26532,141074,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26534,141111,1,,,,,,,H2O used for referencing chem_shift_reference,chemical_shift_reference_1,26535,141129,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26536,141144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26537,141161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26538,141179,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26541,141195,1,,,,,,, chem_shift_reference,DSS,26543,141212,1,,,,,,,1H DSS Direct 1.000000; C13 DSS Indirect 0.25144953; N15 DSS Indirect 0.101329118 chem_shift_reference,chemical_shift_reference_1,26544,141226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26545,141241,1,,,,,,, chem_shift_reference,DSS,26546,141260,1,,,,,,,1H DSS Direct 1.000000; C13 DSS Indirect 0.25144953; N15 DSS Indirect 0.101329118 chem_shift_reference,chemical_shift_reference_1,26547,141275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26548,141291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26549,141308,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26550,141322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26551,141338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26552,141353,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26553,141369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26554,141385,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26557,141401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26558,141419,1,,,,,,,Referencing was done using TSP-d4. chem_shift_reference,chemical_shift_reference_1,26562,141436,1,,,,,,, chem_shift_reference,2_2-dimethyl-2-silapentane-sulfonic_acid,26564,141465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26565,141482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26568,141500,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26569,141519,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26570,141534,1,,,,,,,1H chemical shifts were referenced to water and indirect chemical shift referencing was used for 13C and 15N. chem_shift_reference,chemical_shift_reference_1,26571,141550,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26573,141564,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26574,141578,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26575,141593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26576,141608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26577,141626,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26578,141644,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26579,141658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26580,141690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26582,141709,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26583,141728,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26584,141747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26585,141764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26586,141778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26587,141794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26588,141810,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26589,141824,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26590,141838,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26591,141852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26592,141869,1,,,,,,,This is for the free LcrG file chem_shift_reference,chemical_shift_reference_2,26592,141870,2,,,,,,,This is for the file LcrG in complex with LcrV chem_shift_reference,chemical_shift_reference_1,26593,141887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26594,141901,1,,,,,,,1H chemical shifts were referenced to water at the relevant temperature 273 ? K or 15N referencing chem_shift_reference,chemical_shift_reference_1,26595,141916,1,,,,,,,1H referencing was done using water at the appropriate temperature and 15N and 13C referencing was done indirectly using the appropriate ratios. chem_shift_reference,chemical_shift_reference_1,26597,141930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26598,141946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26599,141962,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26600,141978,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26601,141994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26602,142010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26603,142029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26604,142045,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26605,142062,1,,,,,,,Chemical shifts assigned by comparison with free UblD chemical shifts (ID 5500) chem_shift_reference,chemical_shift_reference_1,26607,142076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26608,142090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26609,142106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26610,142120,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26611,142136,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26612,142150,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26613,142164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26614,142178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26615,142197,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,26615,142198,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,26616,142217,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26617,142233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26618,142251,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26619,142267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26620,142285,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26623,142300,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26624,142314,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26625,142330,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26626,142350,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26627,142371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26628,142387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26629,142403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26630,142419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26631,142434,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26632,142450,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26634,142468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26635,142482,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26636,142503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26637,142524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26638,142540,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26639,142558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26640,142583,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,26640,142584,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,26641,142601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26642,142619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26643,142635,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26644,142649,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26645,142665,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26646,142680,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26647,142695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26648,142710,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26649,142724,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26650,142740,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26651,142757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26652,142773,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26653,142788,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26654,142802,1,,,,,,,Use of DSS as an internal reference (aqueous solution). chem_shift_reference,chemical_shift_reference_1,26655,142816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26656,142832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26657,142849,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26658,142867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26659,142884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26660,142904,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26661,142922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26662,142939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26663,142955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26664,142969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26672,143020,1,,,,,,,1H reference to water chem_shift_reference,chemical_shift_reference_1,26674,143036,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26675,143052,1,,,,,,, chem_shift_reference,chemical_shift,26676,143068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26677,143085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26678,143100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26679,143116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26680,143134,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26681,143148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26682,143162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26683,143176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26684,143192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26685,143208,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26686,143224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26687,143239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26688,143260,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26690,143279,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26691,143296,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26692,143311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26693,143328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26694,143349,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26695,143368,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26697,143382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26698,143398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26700,143413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26701,143428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26702,143448,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26703,143467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26705,143481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26706,143499,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26708,143514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26709,143529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26715,143742,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26716,143762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26717,143782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26718,143797,1,,,,,,, chem_shift_reference,Ash1_420-500_reference,26719,143811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26720,143825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26721,143845,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26722,143863,1,,,,,,,"Sample U-2H labeled, no correction applied for 2H isotope effects" chem_shift_reference,chemical_shift_reference_1,26723,143883,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26724,143908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26725,143925,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26726,143943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26727,143959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26728,143973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26730,143987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26731,144003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26732,144022,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26733,144039,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26734,144054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26735,144069,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26738,144085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26739,144100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26740,144115,1,,,,,,,Bruker referencing chem_shift_reference,chemical_shift_reference_1,26741,144137,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26742,144162,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26743,144182,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26744,144203,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26745,144218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26746,144234,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26748,144253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26750,144273,1,,,,,,,Referenced to internal H2O standard chem_shift_reference,chemical_shift_reference_1,26751,144292,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26752,144309,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26753,144327,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26754,144344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26755,144359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26756,144381,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26757,144403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26758,144421,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26759,144439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26760,144454,1,,,,,,,CHEMICAL SHIFT REFERENCED WITH RESPECT TO DSS chem_shift_reference,chemical_shift_reference_1,26761,144469,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26762,144484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26763,144501,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26764,144515,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26765,144531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26766,144556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26767,144571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26768,144586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26769,144604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26770,144620,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26771,144637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26772,144653,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26773,144669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26774,144683,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26775,144704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26776,144726,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26777,144748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26778,144767,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26779,144786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26780,144809,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26782,144826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26783,144841,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26784,144856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26785,144871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26786,144888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26787,144908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26788,144928,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26789,144946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26790,144963,1,,,,,,, chem_shift_reference,DSS,26791,144988,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26792,145016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26793,145030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26794,145049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26795,145068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26796,145087,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26797,145106,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26798,145125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26799,145144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26800,145160,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26801,145177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26802,145195,1,,,,,,, chem_shift_reference,chem_shift_reference,26803,145216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26804,145231,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26805,145250,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26806,145267,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26807,145286,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26808,145307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26809,145322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26810,145341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26811,145355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26812,145373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26813,145389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26814,145406,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26815,145431,1,,,,,,,Chemical shifts were referenced to H2O chem_shift_reference,chemical_shift_reference_1,26816,145446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26818,145463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26819,145480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26820,145495,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26821,145514,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26822,145528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26823,145547,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26824,145570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26825,145586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26826,145605,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26827,145623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26828,145641,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26829,145659,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26830,145677,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26831,145695,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26832,145712,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26833,145727,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26834,145741,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26835,145758,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26836,145775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26837,145792,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26838,145811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26839,145825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26840,145843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26841,145860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26842,145886,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26843,145903,1,,,,,,,TSP internal reference chem_shift_reference,chemical_shift_reference_1,26844,145921,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26846,145960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26847,145979,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26848,146001,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26849,146016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26850,146032,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26851,146055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26852,146069,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26853,146084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26854,146102,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26855,146118,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26857,146132,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26858,146149,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26860,146164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26861,146188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26862,146205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26863,146222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26864,146238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26866,146253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26867,146275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26870,146293,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26871,146307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26873,146322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26874,146338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26875,146355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26876,146372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26877,146388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26878,146405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26879,146422,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26880,146438,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26881,146452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26882,146466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26883,146481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26884,146497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26885,146513,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26886,146529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26887,146544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26888,146559,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26889,146575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26890,146590,1,,,,,,,Chemical shifts were referenced to the downfield 13C peak of adamantane at 40.48 ppm. chem_shift_reference,chemical_shift_reference_1,26893,146631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26894,146646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26901,146661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26902,146676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26903,146691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26904,146706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26905,146722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26906,146738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26907,146753,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26908,146769,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26909,146786,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26910,146800,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26912,146818,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26913,146837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26914,146856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26915,146870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26916,146889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26919,146912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26920,146927,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26921,146942,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26922,146958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26923,146977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26924,146995,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26925,147013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26926,147031,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26927,147048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26928,147065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26929,147085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26932,147099,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26933,147116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26934,147139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26935,147156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26936,147172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26937,147188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26938,147202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26939,147216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26940,147236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26942,147251,1,,,,,,,"PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: -0.11ppm CA: -0.37ppm CB: -0.33ppm N: -0.23ppm" chem_shift_reference,chemical_shift_reference_1,26943,147269,1,,,,,,,"1H DSS, with IUPAC indirect referencing ratios used to reference 13C and 15N" chem_shift_reference,chemical_shift_reference_1,26944,147286,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26945,147302,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26946,147320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26947,147338,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26948,147352,1,,,,,,,referenced with DSS chem_shift_reference,chemical_shift_reference_1,26949,147366,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26951,147382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26953,147403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26954,147417,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26955,147432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26956,147451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26957,147465,1,,,,,,,DSS methyl protons chem_shift_reference,chemical_shift_reference_1,26958,147480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26959,147502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26960,147524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26961,147539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26962,147557,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26963,147575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26964,147603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26965,147619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26966,147634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26967,147651,1,,,,,,,Used DSS as reference chem_shift_reference,chemical_shift_reference_1,26968,147668,1,,,,,,,Used DSS as reference chem_shift_reference,chemical_shift_reference_1,26969,147685,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26970,147699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26971,147715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26972,147730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26973,147750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26974,147764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26975,147781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26976,147799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26977,147820,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26978,147837,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26979,147854,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26980,147871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26981,147887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26982,147905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26983,147924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26984,147943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26985,147959,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26986,147974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26990,147991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26991,148008,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26992,148028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26993,148047,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26994,148061,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26995,148077,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26996,148096,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26997,148112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26998,148128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,26999,148145,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,27,148159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27000,148175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27001,148191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27002,148207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27003,148222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27004,148240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27005,148258,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27007,148276,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27008,148294,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27010,148312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27012,148356,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27013,148372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27014,148388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27015,148404,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27016,148419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27017,148443,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27019,148460,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27020,148477,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27022,148500,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27023,148517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27024,148534,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27025,148551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27026,148568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27027,148582,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27028,148606,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27030,148627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27031,148642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27032,148658,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27033,148673,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27034,148688,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27035,148702,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27036,148721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27037,148743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27038,148764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27039,148778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27040,148792,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27041,148812,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27043,148829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27044,148846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27045,148864,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27046,148879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27047,148895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27048,148914,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27049,148936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27050,148958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27051,148973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27052,148992,1,,,,,,, chem_shift_reference,KRAS22RT_293K,27053,149007,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27055,149025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27056,149041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27057,149057,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27058,149073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27060,149091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27061,149108,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27062,149125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27063,149141,1,,,,,,,"referenced to water, water resonance predicted by bruk2pipe. 13C, 15N indirect reference by bruk2pipe." chem_shift_reference,chemical_shift_reference_1,27064,149159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27065,149173,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27066,149189,1,,,,,,, chem_shift_reference,chemical_shift_reference_HNCaCb,27067,149206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27069,149223,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2707,149236,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27070,149252,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27071,149268,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27072,149284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27073,149313,1,,,,,,,TMSP as reference chem_shift_reference,chemical_shift_reference_1,27074,149328,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27075,149344,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27076,149359,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27077,149375,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27078,149401,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27079,149422,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2708,149436,1,,,,,,, chem_shift_reference,chemical_shift_reference,27080,149451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27081,149467,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27082,149484,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27083,149503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27084,149520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27085,149535,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27086,149561,1,,,,,,,"1H chemical shifts were referenced to water signal (4.75 ppm at 303 K). Indirect referencing for 13C, 15N- chemical shifts was used." chem_shift_reference,chemical_shift_reference_1,27087,149579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27088,149593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27089,149609,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2709,149624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27090,149643,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27091,149662,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27092,149679,1,,,,,,,referenced to DSS chem_shift_reference,chemical_shift_reference_1,27093,149696,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27094,149713,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27095,149731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27096,149748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27097,149769,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27098,149788,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27099,149803,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2710,149816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27104,149831,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27106,149846,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27108,149860,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27109,149875,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2711,149888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27110,149905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27111,149925,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27112,149941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27113,149955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27119,149970,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2712,149983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27120,149998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27121,150013,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27122,150030,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27123,150045,1,,,,,,,"1H shifts externally referenced, 15N and 13C shifts indirectly referenced" chem_shift_reference,chemical_shift_reference_1,27124,150060,1,,,,,,,"1H shifts externally referenced, 15N and 13C shifts indirectly referenced" chem_shift_reference,chemical_shift_reference_1,27125,150075,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27126,150091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27127,150107,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27128,150121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27129,150136,1,,,,,,, chem_shift_reference,DSS,27130,150154,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27131,150172,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27133,150194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27134,150214,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27135,150237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27136,150253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27137,150268,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27138,150283,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27139,150298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27141,150331,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27142,150348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27143,150372,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27144,150405,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27145,150420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27146,150445,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27147,150463,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27148,150481,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27151,150502,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27152,150519,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27153,150536,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27154,150553,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27155,150569,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27156,150585,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27157,150601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27158,150618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27159,150634,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27160,150650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27161,150667,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27162,150681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27165,150699,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27166,150715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27167,150738,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27168,150757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27169,150771,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27170,150785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27172,150827,1,,,,,,, chem_shift_reference,Chem_shift_reference,27173,150843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27174,150862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27175,150879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27176,150893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27177,150907,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27179,150924,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2718,150943,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27180,150961,1,,,,,,,"1H directly referenced to upfield tri-methyl group of DSS. 13C and 15N nuclei are indirectly referenced using their respective gyromagnetic ratios to 1H as recommended by Markley, Wuthrich, et al." chem_shift_reference,chemical_shift_reference_1,27183,150975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27184,150990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27185,151006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27186,151020,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27187,151035,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27188,151049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27189,151064,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2719,151077,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27190,151094,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27191,151111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27192,151128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27193,151144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27195,151176,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27196,151191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27197,151206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27198,151221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27199,151240,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27201,151254,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27202,151269,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27203,151284,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27204,151298,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27205,151312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27206,151329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27207,151345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27208,151362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27209,151378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27210,151392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27211,151412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27212,151428,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27213,151442,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27214,151457,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27215,151474,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27216,151492,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27217,151508,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,27217,151509,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,27218,151526,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,27218,151527,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,27219,151543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27220,151558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27221,151575,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27224,151592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27225,151607,1,,,,,,,"13C and 15N were referenced using indirect referencing for multidimensional heteronuclear according to Wishart et al., 1995" chem_shift_reference,chemical_shift_reference_1,27226,151622,1,,,,,,,"13C and 15N were referenced using indirect referencing for multidimensional heteronuclear according to Wishart et al., 1995" chem_shift_reference,chemical_shift_reference_1,27227,151636,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27228,151652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27229,151667,1,,,,,,,"13C and 15N were referenced using indirect referencing for multidimensional heteronuclear according to Wishart et al., 1995" chem_shift_reference,chemical_shift_reference_1,27230,151681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27231,151697,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27232,151715,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27234,151729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27235,151747,1,,,,,,, chem_shift_reference,standard,27236,151763,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27237,151778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27238,151794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27239,151815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27240,151836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27241,151850,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27242,151866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27243,151881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27244,151899,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27246,151934,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27247,151950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27248,151969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27249,151989,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27250,152005,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27251,152023,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27252,152039,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27254,152056,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27259,152142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27260,152159,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27261,152178,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27262,152194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27263,152210,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27264,152224,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27265,152239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27266,152260,1,,,,,,,DSS in the sample buffer was used as a standard chem_shift_reference,chemical_shift_reference_1,27267,152274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27268,152289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27269,152307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27270,152323,1,,,,,,,Referenced using TMSP chem_shift_reference,chemical_shift_reference_1,27271,152346,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27272,152363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27273,152380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27274,152398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27275,152414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27276,152430,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27277,152451,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27278,152468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27279,152486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27280,152504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27281,152522,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27282,152537,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27284,152558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27285,152580,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27286,152601,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27287,152616,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27288,152631,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27289,152651,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27290,152667,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27292,152681,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27293,152698,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27294,152713,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27295,152730,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27296,152746,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27297,152764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27298,152781,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27299,152796,1,,,,,,,"1H shifts externally referenced, 15N and 13C shifts indirectly referenced" chem_shift_reference,Standard,27300,152811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27301,152826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27302,152843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27303,152862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27304,152879,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27305,152895,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27306,152912,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27307,152930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27312,152945,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27313,152969,1,,,,,,, chem_shift_reference,E1_Y245G_chemical_shift_reference,27314,152985,1,,,,,,,"Chemical shift of internal water reference was used to establish all chemical shifts. Water chemical shift relative to TMS was 4.496667 at 323 K." chem_shift_reference,chemical_shift_reference_1,27315,152999,1,,,,,,, chem_shift_reference,DSS,27316,153015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27317,153029,1,,,,,,,Referenced with DSS chem_shift_reference,chemical_shift_reference_1,27320,153044,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27321,153063,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27322,153083,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27323,153098,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27324,153113,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27325,153128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27326,153142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27327,153156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27328,153170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27332,153187,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27333,153202,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27334,153216,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27336,153230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27337,153245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27338,153259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27339,153274,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27341,153289,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27342,153307,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27343,153324,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27344,153341,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27345,153358,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27346,153375,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27348,153389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27349,153407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27351,153453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27352,153468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27353,153487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27354,153505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27355,153520,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27356,153539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27357,153556,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27358,153571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27359,153587,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27360,153603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27361,153618,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27362,153636,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27363,153656,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27364,153676,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27365,153691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27366,153711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27367,153731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27368,153751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27369,153772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27370,153793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27371,153814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27372,153835,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27373,153858,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,27373,153859,2,,,,,,, chem_shift_reference,chemical_shift_reference_1,27374,153873,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27375,153887,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27376,153901,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27377,153920,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27378,153939,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27379,153958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27380,153976,1,,,,,,,"H, N, Ca, Cb" chem_shift_reference,chemical_shift_reference_1,27381,153992,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27382,154011,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27383,154031,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27384,154050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27385,154069,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27386,154088,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27387,154104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27388,154123,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27389,154142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27390,154161,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27391,154180,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27392,154195,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27393,154210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27394,154226,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27395,154245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27396,154264,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27397,154287,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27398,154305,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27399,154323,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,274,154336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27400,154354,1,,,,,,,TMS chem_shift_reference,chemical_shift_reference_1,27401,154369,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27402,154384,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27403,154400,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27404,154419,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27405,154433,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27406,154447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27407,154465,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27408,154479,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27409,154503,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27410,154528,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27411,154545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27412,154562,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27413,154576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27414,154590,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27415,154607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27416,154621,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27417,154646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27418,154660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27419,154674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27420,154690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27421,154704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27422,154718,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27424,154733,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27425,154750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27426,154765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27429,154782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27430,154799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27431,154833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27432,154852,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27433,154866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27434,154884,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27435,154903,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27436,154920,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27437,154935,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27438,154952,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27439,154971,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27440,154987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27441,155003,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27442,155019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27443,155034,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27445,155050,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27446,155066,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27447,155091,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27448,155121,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27449,155144,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27450,155160,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27451,155175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27452,155209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27453,155230,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27455,155253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27457,155273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27458,155291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27459,155316,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27460,155335,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27461,155355,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27462,155371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27463,155389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27464,155402,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27466,155432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27467,155447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27468,155468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27469,155485,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27470,155502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27471,155517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27472,155531,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27473,155551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27475,155568,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27476,155582,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27477,155597,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27478,155624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27479,155642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27480,155660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27481,155675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27482,155691,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27483,155706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27484,155722,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27485,155737,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27488,155752,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27489,155770,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27490,155785,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27491,155801,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27492,155816,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27493,155840,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27494,155856,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27495,155872,1,,,,,,, chem_shift_reference,backbone_resonance_assignments,27496,155887,1,,,,,,,please refer to the paper. chem_shift_reference,chemical_shift_reference_1,27497,155905,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27498,155930,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27499,155944,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,275,155957,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27500,155975,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27501,155990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27502,156005,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27503,156019,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27506,156040,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27508,156054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27509,156070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27510,156086,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27511,156100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27512,156114,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27513,156128,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27514,156142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27515,156156,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27516,156170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27517,156184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27518,156200,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27519,156222,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27520,156239,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27521,156259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27522,156279,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27523,156304,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27524,156318,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27525,156334,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27526,156348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27527,156362,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27528,156378,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27529,156392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27530,156407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27531,156426,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27532,156440,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27533,156457,1,,,,,,,"Backbone assignment of 1H, 13C and 15N." chem_shift_reference,chemical_shift_reference_1,27536,156512,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27537,156530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27538,156551,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27539,156570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27540,156586,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27541,156604,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27542,156618,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27543,156633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27544,156647,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27545,156661,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27546,156675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27547,156690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27548,156707,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27549,156723,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27550,156743,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27552,156757,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27553,156775,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27554,156793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27555,156809,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27556,156825,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27557,156840,1,,,,,,,"PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: -0.06ppm CA: -0.38ppm CB: 0.71ppm N: 0.77ppm" chem_shift_reference,chemical_shift_reference_1,27558,156855,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27559,156870,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27560,156888,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27561,156908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27562,156922,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27563,156937,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27564,156955,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27565,156970,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27566,156987,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27569,157032,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27570,157049,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27571,157065,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27572,157090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27573,157104,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27574,157119,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27575,157135,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27576,157151,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27577,157170,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27578,157192,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27579,157207,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27580,157221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27581,157238,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27582,157252,1,,,,,,,The compound used for referencing is: 3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt. chem_shift_reference,chemical_shift_reference_1,27583,157266,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27584,157282,1,,,,,,,Chemical shifts referenced to TMS chem_shift_reference,chemical_shift_reference_1,27585,157297,1,,,,,,,Chemical shifts referenced to TMS chem_shift_reference,chemical_shift_reference_1,27586,157312,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27587,157329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27588,157346,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27589,157364,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27590,157382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27591,157398,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27592,157414,1,,,,,,, chem_shift_reference,AmiC-NTD_chemical_shift_reference,27593,157431,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27594,157449,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27595,157474,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27596,157488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27598,157502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27599,157516,1,,,,,,,Referenced to external DSS sample. chem_shift_reference,chem_shift_reference_par_set_one,276,157529,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27600,157544,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27601,157559,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27602,157576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27603,157592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27605,157611,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27606,157629,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27607,157646,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27608,157660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27609,157675,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27610,157690,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27611,157704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27612,157721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27613,157737,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27614,157751,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27616,157765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27617,157783,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27618,157799,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27619,157813,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27620,157829,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27621,157843,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27622,157857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27623,157871,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27624,157885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27625,157899,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27626,157917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27627,157932,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27628,157946,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27629,157961,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2763,157974,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27630,157990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27631,158009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27632,158028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27633,158046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27634,158062,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27636,158116,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27637,158132,1,,,,,,,13C dioxane methyl group pp 61.3 external NMR tube chem_shift_reference,chemical_shift_reference_1,27638,158150,1,,,,,,,13C dioxane methyl group pp 61.3 external NMR tube chem_shift_reference,chemical_shift_reference_1,27639,158164,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2764,158177,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27640,158191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27641,158206,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27642,158219,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27643,158233,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27645,158247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27646,158273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27647,158295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27648,158313,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27649,158328,1,,,,,,,"1H shifts externally referenced, 15N and 13C shifts indirectly referenced" chem_shift_reference,chemical_shift_reference_1,27651,158343,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27652,158357,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27653,158373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27654,158391,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27655,158413,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27656,158436,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27659,158454,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27661,158471,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27662,158486,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27664,158504,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27666,158525,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27667,158539,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27668,158555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27669,158573,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27670,158589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27671,158607,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27672,158625,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27673,158643,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27674,158660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27676,158684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27677,158700,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27678,158717,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27679,158734,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2768,158747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27680,158764,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27681,158782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27682,158805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27683,158822,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27684,158836,1,,,,,,,"PANAV (http://panav.wishartlab.com/) is an efficient chemical shift validation and re-referencing tool which has been used here to validate the chemical shift referencing. According to this online application tool, the chemical shifts may be deviated from the reference database shifts as per the following: CO: -0.11ppm CA: -0.37ppm CB: -0.33ppm N: -0.23ppm." chem_shift_reference,chemical_shift_reference_1,27687,158851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27688,158869,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27690,158885,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27691,158901,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27692,158918,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27693,158933,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27694,158947,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27695,158961,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27696,158976,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27698,158990,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27699,159010,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27700,159034,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27701,159053,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27702,159067,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27703,159081,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27704,159095,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27705,159112,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27706,159129,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27707,159143,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27708,159159,1,,,,,,,"For referencing heteronuclei chemical shifts we have used the SSP program, based on a method found to be highly effective for both disordered and folded proteins (J. A. Marsh et al, Protein Sci. 2006, 15,12, 2795)" chem_shift_reference,chem_shift_reference_1,27709,159175,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27711,159194,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27712,159213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27713,159227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27714,159243,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27715,159259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27716,159275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27717,159291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27718,159310,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27719,159329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27720,159348,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27721,159370,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27722,159414,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27724,159453,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27725,159473,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27726,159491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27728,159510,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27729,159526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27730,159545,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27732,159566,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27733,159589,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27734,159610,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27737,159633,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27738,159654,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27739,159677,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27741,159700,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27742,159716,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27743,159732,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27744,159747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27746,159765,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27747,159782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27750,159798,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27751,159814,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27752,159835,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27753,159851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27754,159866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27755,159881,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27756,159900,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27757,159917,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27759,159936,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27761,159950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27762,159966,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27763,159982,1,,,,,,, chem_shift_reference,chem_shift_reference_1,27764,159999,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27767,160015,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27768,160029,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27769,160048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27770,160068,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27771,160084,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27772,160099,1,,,,,,, chem_shift_reference,DSS,27774,160127,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27775,160142,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27776,160157,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27777,160173,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27778,160188,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27779,160209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27780,160229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27781,160248,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27782,160263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27783,160277,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27784,160291,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27785,160309,1,,,,,,, chem_shift_reference,reference_1,27786,160329,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27787,160355,1,,,,,,,All spectra were referenced using the internal referencing of NMRPipe chem_shift_reference,chemical_shift_reference_1,27788,160371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27789,160387,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27790,160403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27791,160423,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27792,160444,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27793,160459,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27794,160494,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27795,160508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27796,160524,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27797,160541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27798,160555,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27799,160570,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27800,160591,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27801,160608,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27802,160622,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27803,160636,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27804,160650,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27805,160664,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27806,160678,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27807,160692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27808,160706,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27809,160720,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27810,160734,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27811,160748,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27812,160766,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27813,160782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27814,160797,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27815,160815,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27816,160833,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27817,160848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27818,160863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27819,160878,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27820,160893,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27821,160908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27825,160928,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27826,160950,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27827,160969,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27828,160983,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27829,160998,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27830,161017,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27831,161034,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27832,161048,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27833,161062,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27834,161078,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27835,161092,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27836,161109,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27837,161125,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27839,161140,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2784,161153,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27840,161171,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27841,161189,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27842,161209,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27843,161229,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27844,161245,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27845,161260,1,,,,,,,Chemical shifts were referenced with DSS in the rotor chem_shift_reference,chemical_shift_reference_1,27847,161277,1,,,,,,, chem_shift_reference,DSS,27848,161293,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2785,161306,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27850,161320,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27851,161336,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27852,161352,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27853,161371,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27854,161389,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27856,161407,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27857,161424,1,,,,,,, chem_shift_reference,Reference,27859,161439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2786,161452,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27860,161466,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27861,161480,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27862,161497,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27863,161512,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27864,161527,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27865,161543,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27866,161561,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27867,161576,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27868,161592,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27869,161610,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2787,161623,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27872,161643,1,,,,,,, chem_shift_reference,reference_label_1,27873,161670,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27874,161693,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27875,161721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27876,161750,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27878,161772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27879,161793,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27880,161811,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27881,161826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27882,161842,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27883,161858,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27884,161875,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27886,161889,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27887,161904,1,,,,,,, chem_shift_reference,IUPAC_reference,27888,161925,1,,,,,,, chem_shift_reference,IUPAC_reference,27890,161954,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27893,161977,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27894,161991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27895,162009,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27900,162025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27901,162041,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27903,162055,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27904,162071,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27905,162085,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27911,162100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27912,162115,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27913,162131,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27914,162148,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27915,162169,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27916,162191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27917,162210,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27920,162227,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27922,162244,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27923,162259,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27924,162275,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27925,162290,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27926,162305,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27927,162322,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27928,162339,1,,,,,,, chem_shift_reference,IUPAC_reference,27929,162363,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27930,162382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27931,162396,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27932,162412,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27934,162432,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27935,162447,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27943,162463,1,,,,,,,13C and 15N chemical shifts were referenced by indirect referencing (Wishart et al. 1995) chem_shift_reference,DSS,27944,162477,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27945,162491,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27946,162507,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27947,162524,1,,,,,,,13C and 15N chemical shifts were referenced by indirect referencing (Wishart et al. 1995) chem_shift_reference,DSS,27948,162538,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27949,162554,1,,,,,,, chem_shift_reference,reference_1,27950,162571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27951,162587,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27952,162603,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27953,162619,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27954,162637,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27955,162652,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27956,162668,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27957,162684,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27958,162700,1,,,,,,,DSS chem_shift_reference,chemical_shift_reference_1,27959,162721,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27960,162739,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27961,162754,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27962,162772,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27964,162805,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27965,162821,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27967,162836,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27968,162851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27969,162866,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27970,162880,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27971,162894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27972,162908,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27973,162926,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27974,162941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27975,162956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27976,162973,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27977,162993,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27978,163016,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27979,163030,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2798,163043,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27980,163057,1,,,,,,,DSS reference chem_shift_reference,chemical_shift_reference_1,27981,163077,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27982,163097,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27983,163117,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27984,163132,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27986,163146,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27987,163164,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27988,163184,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27989,163200,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2799,163213,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27990,163231,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27992,163247,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27993,163263,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27994,163278,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27995,163295,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27996,163311,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27997,163330,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27998,163345,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,27999,163360,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,280,163373,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28000,163388,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28001,163403,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28002,163420,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28003,163439,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28005,163454,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28006,163470,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28011,163487,1,,,,,,,reference : DSS chem_shift_reference,chemical_shift_reference_1,28012,163505,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28015,163526,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28016,163541,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28017,163558,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28019,163575,1,,,,,,,"reference : DSS, internal" chem_shift_reference,chem_shift_reference_par_set_one,2802,163591,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28020,163608,1,,,,,,,Internal DSS chem_shift_reference,chemical_shift_reference_1,28021,163627,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28022,163646,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28025,163660,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28026,163674,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28027,163688,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28028,163704,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28030,163731,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28031,163745,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28033,163762,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28034,163778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28035,163795,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28036,163809,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28037,163827,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28038,163844,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2804,163857,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28042,163880,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28045,163906,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28046,163924,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28047,163941,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28048,163956,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28049,163971,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28050,163991,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28051,164006,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28052,164025,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28053,164039,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28054,164054,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28056,164070,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28057,164090,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28058,164111,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28060,164154,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28065,164169,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28066,164191,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28077,164205,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28086,164221,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28088,164237,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28092,164253,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28094,164269,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28095,164286,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28096,164303,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28097,164326,1,,,,,,,"Three 19F resonances of trifluoromagnesate present in the transition state analogue complex of the P146A variant of beta-phosphoglucomutase, a catalytic Mg ion, glucose 6-phosphate and trifluoromagnesate (MgF3-) have also been deposited." chem_shift_reference,chemical_shift_reference_1,28098,164343,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28107,164360,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28108,164377,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28111,164392,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28113,164408,1,,,,,,,DSS was internal chem_shift_reference,chemical_shift_reference_1,28114,164427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28123,164446,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28124,164468,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28125,164488,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28126,164508,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28127,164530,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28128,164552,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28129,164571,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28130,164593,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28133,164614,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28136,164628,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28137,164642,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,28138,164656,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,283,164669,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,284,164682,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,285,164698,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2852,164711,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2853,164724,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2856,164737,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2858,164750,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,286,164766,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2868,164779,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,287,164792,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,288,164805,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,289,164819,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,29,164832,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,290,164845,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,291,164858,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2917,164871,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,292,164884,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2928,164897,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,293,164910,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2935,164923,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2936,164936,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2939,164949,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,294,164962,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2940,164975,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2941,164988,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2948,165001,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,295,165014,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2950,165027,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2951,165040,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2956,165053,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2957,165066,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2958,165079,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2959,165092,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2960,165107,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2968,165122,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,298,165135,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2990,165148,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2991,165161,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,2999,165174,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3,165187,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,30,165200,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,300,165213,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3000,165226,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30000,165244,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30002,165272,1,,,,,,,External DSS sample chem_shift_reference,chem_shift_reference_1,30003,165297,1,,,,,,,Referenced using an external DSS sample chem_shift_reference,chem_shift_reference_1,30004,165325,1,,,,,,,External DSS reference chem_shift_reference,chem_shift_reference_1,30005,165345,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30006,165363,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30007,165379,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30008,165398,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30009,165415,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30010,165436,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30011,165453,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30012,165478,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30013,165495,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30015,165514,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30016,165532,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30017,165549,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30019,165569,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30020,165594,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30021,165617,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30022,165634,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30023,165652,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30024,165669,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30025,165687,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30026,165708,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30027,165725,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30028,165744,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30029,165763,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30030,165785,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30031,165800,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30032,165820,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30033,165839,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30034,165863,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30035,165887,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30037,165904,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30038,165923,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30038,165924,2,,,,,,, chem_shift_reference,chem_shift_reference_3,30038,165925,3,,,,,,, chem_shift_reference,chem_shift_reference_1,30039,165946,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30040,165964,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30042,165986,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30043,166018,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30044,166039,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30044,166040,2,,,,,,, chem_shift_reference,chem_shift_reference_3,30044,166041,3,,,,,,, chem_shift_reference,chem_shift_reference_1,30045,166059,1,,,,,,,internal chemical shift referencing chem_shift_reference,chem_shift_reference_1,30046,166076,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30047,166096,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30048,166114,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30049,166130,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30050,166149,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30051,166165,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30052,166185,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30053,166205,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30054,166225,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30055,166242,1,,,,,,,NONE chem_shift_reference,chem_shift_reference_1,30056,166257,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30057,166274,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30058,166290,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30059,166306,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30060,166322,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30061,166342,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30062,166362,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30063,166394,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30064,166417,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30065,166435,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30066,166459,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30067,166480,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30068,166498,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30069,166518,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30070,166535,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30071,166555,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30072,166573,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30073,166591,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30074,166610,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30075,166633,1,,,,,,,All chemical shifts from 15-N and 13-C correlated experiments chem_shift_reference,chem_shift_reference_1,30076,166652,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30077,166672,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30078,166690,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30079,166707,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30080,166730,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30081,166753,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30082,166779,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30083,166803,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30084,166829,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30085,166855,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30086,166879,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30087,166905,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30088,166924,1,,,,,,,"15N, 13C, amide and alpha 1H chemical shifts referenced consistently with ones reported by Zhou et al JACS 129, pp 11791-11801 (2007) and Franks et al JACS 127, pp 12291-12305 (2005)" chem_shift_reference,chem_shift_reference_1,30089,166941,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30090,166965,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30091,166985,1,,,,,,,DSS chem_shift_reference,chem_shift_reference_2,30091,166986,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30092,167008,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30092,167009,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30093,167045,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30093,167046,2,,,,,,, chem_shift_reference,chem_shift_reference_3,30093,167047,3,,,,,,, chem_shift_reference,chem_shift_reference_4,30093,167048,4,,,,,,, chem_shift_reference,chem_shift_reference_1,30094,167075,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30097,167093,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30098,167113,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30099,167136,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,301,167149,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,30100,167170,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30101,167198,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30102,167219,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30105,167241,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30106,167259,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30107,167277,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30108,167302,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30109,167320,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30110,167337,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30111,167359,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30112,167381,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30113,167403,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30114,167425,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30115,167447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30116,167469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30117,167491,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30118,167509,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30119,167528,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30120,167546,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30121,167569,1,,,,,,,"Chemical shift referencing was done on Adamantane according to Morcombe at. al. (C.R. Morcombe, K.W. Zilm / Journal of Magnetic Resonance 162 (2003) 479-486)" chem_shift_reference,chem_shift_reference_1,30123,167588,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30124,167604,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30126,167624,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30127,167649,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30128,167668,1,,,,,,,DSS chem_shift_reference,chem_shift_reference_1,30129,167689,1,,,,,,,DSS chem_shift_reference,chem_shift_reference_1,30130,167710,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30131,167729,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30132,167752,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30133,167772,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30134,167798,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30135,167824,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30136,167847,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30137,167866,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30138,167885,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30139,167913,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30140,167933,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30141,167954,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30142,167973,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30143,167991,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30144,168016,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30145,168034,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30146,168053,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30147,168072,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30148,168091,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30148,168092,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30149,168111,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30150,168135,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30151,168158,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30151,168159,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30152,168182,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30153,168202,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30154,168221,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30155,168241,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30156,168261,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30157,168279,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30158,168307,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30159,168339,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30160,168359,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30161,168379,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30162,168401,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30163,168417,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30164,168435,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30165,168452,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30167,168469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30168,168486,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30170,168501,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30171,168516,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30172,168534,1,,,,,,,indirect referencing was used chem_shift_reference,chem_shift_reference_1,30176,168551,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30177,168580,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30178,168597,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30179,168616,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30180,168635,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30181,168652,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30184,168676,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30185,168696,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30186,168720,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30188,168737,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30189,168756,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30190,168780,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30191,168798,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30191,168799,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30192,168819,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30193,168838,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30194,168857,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30195,168872,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30196,168888,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30197,168910,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30198,168931,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30198,168932,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30199,168952,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,302,168967,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30200,168986,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30201,169009,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30202,169026,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30203,169044,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30204,169065,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30205,169086,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30206,169111,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30207,169135,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30208,169158,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30209,169175,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30210,169199,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30211,169219,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30212,169239,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30213,169259,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30214,169279,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30215,169299,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30216,169319,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30217,169339,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30218,169360,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30219,169380,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30220,169399,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30221,169423,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30222,169445,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30223,169467,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30224,169492,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30225,169514,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30225,169515,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30226,169540,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30226,169541,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30227,169563,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30229,169578,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30230,169593,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30231,169613,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30232,169630,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30233,169648,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30234,169667,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30235,169684,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30236,169700,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30237,169717,1,,,,,,,DSS chemical shift reference chem_shift_reference,chem_shift_reference_1,30238,169732,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30239,169751,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30240,169768,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30241,169786,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30242,169804,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30243,169828,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30244,169853,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30245,169874,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30246,169896,1,,,,,,,separate tube (no insert) similar to the experimental sample tube chem_shift_reference,chem_shift_reference_1,30247,169918,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30248,169939,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30249,169957,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30250,169979,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30250,169980,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30251,170001,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30251,170002,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30252,170023,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30252,170024,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30253,170047,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30254,170070,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30255,170093,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30256,170110,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30257,170133,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30258,170153,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30259,170169,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30260,170185,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30261,170209,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30262,170230,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30263,170251,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30265,170269,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30267,170288,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30268,170309,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30270,170327,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30271,170344,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30273,170365,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30274,170382,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30275,170406,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30276,170430,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30281,170447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30282,170469,1,,,,,,,Spectra taken at 25C were referenced to a water peak of 4.75 ppm. chem_shift_reference,chem_shift_reference_2,30282,170470,2,,,,,,,Spectra taken at 5C were referenced to a water peak of 4.96 ppm. chem_shift_reference,chem_shift_reference_1,30283,170493,1,,,,,,,Spectra taken at 25C were referenced to a water peak of 4.75 ppm chem_shift_reference,chem_shift_reference_2,30283,170494,2,,,,,,,Spectra taken at 3C were referenced to a water peak of 4.98 ppm chem_shift_reference,chem_shift_reference_1,30284,170514,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30285,170541,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30286,170563,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30287,170580,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30288,170601,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30289,170625,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30290,170643,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30291,170661,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30292,170678,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30293,170708,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30295,170727,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30296,170746,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30297,170765,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30298,170787,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30300,170812,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30301,170831,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30303,170847,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30304,170874,1,,,,,,,Chemical shift values referenced to DSS scale by measuring the 1-13C chemical shift of L-Alanine powder. chem_shift_reference,chem_shift_reference_1,30305,170904,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30306,170921,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30307,170941,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30308,170964,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30309,170984,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30310,171007,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30311,171025,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30312,171045,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30313,171069,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30314,171088,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30315,171104,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30316,171124,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30317,171146,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30318,171164,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30319,171184,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3032,171197,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30320,171214,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30321,171231,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30322,171250,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30323,171271,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30324,171290,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30325,171306,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30326,171322,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30327,171338,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30328,171361,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30328,171362,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30329,171384,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30329,171385,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30330,171409,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30331,171428,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30332,171447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30333,171469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30334,171485,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30335,171502,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30336,171521,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30337,171538,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30338,171555,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30339,171575,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30340,171594,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30341,171610,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30342,171632,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30343,171649,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30344,171668,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30345,171692,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30346,171711,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30347,171729,1,,,,,,,Tube containing the same solvent mixture as the sample spiked with TMS chem_shift_reference,chem_shift_reference_1,30348,171749,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30349,171771,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30350,171789,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30351,171810,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30352,171831,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30353,171858,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30354,171877,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30355,171897,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30356,171916,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30357,171936,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30358,171955,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30359,171975,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3036,171988,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30360,172010,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30361,172033,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30362,172054,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30363,172075,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30364,172097,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30365,172116,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30366,172135,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30367,172155,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30368,172178,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30370,172196,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30371,172213,1,,,,,,,referenced to water chem_shift_reference,chem_shift_reference_1,30372,172233,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30373,172256,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30374,172279,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30375,172298,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30376,172317,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30377,172336,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30378,172353,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30379,172376,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30380,172394,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30381,172414,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30382,172433,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30383,172453,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30385,172475,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30386,172492,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30388,172519,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30389,172535,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30390,172553,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30391,172571,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30394,172594,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30395,172616,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30396,172634,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30397,172655,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30398,172676,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30399,172694,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30400,172724,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30401,172753,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30402,172772,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30403,172804,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30404,172822,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30405,172841,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30406,172859,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30407,172877,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30408,172895,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30409,172917,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30410,172947,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30411,172964,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30412,172981,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30413,173000,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30414,173016,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30415,173032,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30416,173048,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30417,173065,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30418,173084,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30419,173101,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30420,173118,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30421,173139,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30422,173158,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30423,173175,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30424,173196,1,,,,,,,"(DSS) SODIUM 2,2-DIMETHYL- 2-SILAPENTANE-5-SULFONATE" chem_shift_reference,chem_shift_reference_1,30425,173220,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30426,173244,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30427,173259,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30428,173275,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30429,173291,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30430,173307,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30431,173325,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30432,173341,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30433,173357,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30434,173373,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30435,173389,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30436,173409,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30437,173428,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30438,173447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30439,173464,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30440,173482,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30441,173500,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30442,173518,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30443,173537,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30444,173559,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30445,173578,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30446,173596,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30447,173611,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30448,173627,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30449,173645,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30450,173663,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30451,173682,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30452,173710,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30453,173730,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30454,173747,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30456,173777,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30457,173796,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30458,173815,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30459,173832,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30460,173850,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30461,173868,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30462,173886,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30463,173904,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30464,173922,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30465,173940,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30466,173958,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30467,173976,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30468,173994,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30469,174013,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30470,174032,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30471,174048,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30472,174070,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30473,174093,1,,,,,,,Internal indirect water. chem_shift_reference,chem_shift_reference_1,30474,174111,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30475,174131,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30476,174146,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30477,174167,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30478,174189,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30479,174208,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30480,174226,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30481,174245,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30482,174265,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30483,174287,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30484,174313,1,,,,,,,Internal indirect water. chem_shift_reference,chem_shift_reference_1,30485,174336,1,,,,,,,internal indirect water chem_shift_reference,chem_shift_reference_1,30486,174354,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30487,174371,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30488,174388,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30489,174405,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30490,174422,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30491,174442,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30492,174463,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30493,174493,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30494,174522,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30495,174540,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30496,174558,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30497,174576,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30498,174597,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30499,174616,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30500,174638,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30501,174661,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30502,174684,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30503,174707,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30504,174726,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30505,174745,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30506,174767,1,,,,,,,internal indirect water chem_shift_reference,chem_shift_reference_1,30507,174786,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30508,174801,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30509,174817,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30510,174839,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30511,174863,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30512,174884,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30513,174902,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30514,174920,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30515,174941,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30516,174959,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30517,174993,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30518,175014,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30519,175033,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30520,175050,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30521,175066,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30522,175084,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30523,175107,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30524,175133,1,,,,,,,Relative to DSS chem_shift_reference,chem_shift_reference_1,30525,175150,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30527,175170,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30528,175197,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30529,175220,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30530,175236,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30531,175257,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30532,175279,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30533,175306,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30534,175325,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30535,175345,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30536,175365,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30537,175386,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30538,175404,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30543,175431,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30544,175455,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30545,175481,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30546,175501,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30547,175518,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30548,175536,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30550,175557,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30551,175585,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30552,175604,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30553,175625,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30554,175646,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30555,175666,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30556,175686,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30557,175703,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30558,175720,1,,,,,,,Relative to DSS chem_shift_reference,chem_shift_reference_1,30559,175738,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30560,175765,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30561,175783,1,,,,,,,The chemical shift reference are calibrate with 15N-1H-HSQC. chem_shift_reference,chem_shift_reference_1,30562,175803,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30565,175827,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30566,175844,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30567,175862,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30568,175881,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30569,175907,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30570,175933,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30571,175953,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30572,175974,1,,,,,,,13C chemical shifts are reported on the TMS scale and 15N chemical shifts are reported on the liquid ammonia scale chem_shift_reference,chem_shift_reference_1,30573,175991,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30574,176008,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30575,176028,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30576,176057,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30577,176075,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30579,176096,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30580,176117,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30583,176138,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30584,176164,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30585,176191,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30586,176205,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30587,176219,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30588,176233,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30590,176254,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30591,176278,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30592,176295,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30593,176311,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30594,176328,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30595,176345,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30596,176366,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30597,176384,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30598,176406,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30599,176426,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,306,176440,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30600,176457,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30601,176474,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30602,176497,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30603,176515,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30604,176532,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30605,176552,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30606,176574,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30607,176596,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30608,176619,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30609,176645,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30610,176666,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30611,176686,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30613,176702,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30614,176718,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30615,176750,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30616,176781,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30617,176800,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30618,176819,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30619,176837,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30620,176855,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30621,176873,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30622,176895,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30623,176914,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30625,176934,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30626,176952,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30627,176972,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30628,176993,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30629,177014,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30630,177033,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30631,177051,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30632,177071,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30633,177087,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30634,177107,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30635,177128,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30636,177149,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30637,177171,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30638,177193,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30639,177231,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30640,177269,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30641,177290,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30642,177311,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30643,177332,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30644,177357,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30645,177375,1,,,,,,,"13C chemical shifts were referenced to the tetramethylsilane (TMS) scale and 15N chemical shifts were referenced to the liquid ammonia scale." chem_shift_reference,chem_shift_reference_1,30747,179017,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30748,179038,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30646,177394,1,,,,,,,"13C chemical shifts were referenced to the tetramethylsilane (TMS) scale and 15N chemical shifts were referenced to the liquid ammonia scale." chem_shift_reference,chem_shift_reference_1,30647,177410,1,,,,,,,water chem_shift_reference,chem_shift_reference_1,30648,177427,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3065,177438,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,30650,177455,1,,,,,,,"4,4-dimethyl-4-silapentane-1-sulfonic acid" chem_shift_reference,chem_shift_reference_1,30651,177473,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30652,177490,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30653,177506,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30654,177526,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30655,177555,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30656,177583,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30657,177601,1,,,,,,, chem_shift_reference,chem_shift_reference_2,30657,177602,2,,,,,,, chem_shift_reference,chem_shift_reference_1,30658,177624,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30659,177648,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30660,177669,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30661,177694,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30662,177716,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30663,177738,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30664,177760,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30665,177776,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30666,177793,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30667,177811,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30668,177830,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30669,177850,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30670,177870,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30671,177890,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30672,177911,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30673,177932,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30674,177952,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30676,177968,1,,,,,,,DSS is used as internal reference chem_shift_reference,chem_shift_reference_1,30677,177992,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30678,178018,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30679,178035,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30680,178055,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30681,178076,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30684,178094,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30688,178117,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30690,178133,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30691,178156,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30693,178174,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30694,178199,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30695,178216,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30696,178239,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30697,178262,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30698,178285,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30699,178311,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,307,178325,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30700,178347,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30702,178371,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30703,178389,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30704,178410,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30705,178433,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30706,178452,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30707,178472,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30708,178492,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30710,178513,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30711,178532,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30712,178553,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30713,178576,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30714,178598,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30718,178622,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30719,178639,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30720,178658,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30722,178676,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30723,178695,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30724,178736,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30727,178761,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30729,178781,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30730,178802,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30734,178828,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30735,178854,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30738,178880,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30739,178906,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30740,178932,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30741,178962,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30744,178980,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30745,178999,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30749,179057,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30750,179078,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30755,179099,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30757,179120,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30758,179141,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30763,179163,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30765,179183,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30770,179214,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30771,179236,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30772,179259,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30774,179282,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3078,179295,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30783,179313,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30784,179331,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30788,179350,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30789,179375,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3079,179388,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30794,179413,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30795,179433,1,,,,,,, chem_shift_reference,chem_shift_reference_1,30799,179453,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,308,179466,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3084,179479,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3085,179492,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,309,179505,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,311,179518,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3118,179531,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3119,179544,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3127,179555,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,3128,179566,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,314,179579,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,316,179595,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,317,179611,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,32,179624,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,321,179638,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,325,179649,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,326,179662,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,327,179675,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,329,179689,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,330,179705,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,331,179720,1,,,,,,, chem_shift_reference,chemical_shift_reference,3322,179743,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,335,179756,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,336,179771,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,337,179786,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,338,179799,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,339,179812,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3394,179826,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,340,179839,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34000,179857,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34001,179875,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34002,179893,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34003,179914,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34004,179931,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34005,179951,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34006,179969,1,,,,,,,DSS used as internal standard set equal to 0.00 ppm for the protein peak. 13C and 15N were calculated based on frequency ratios chem_shift_reference,chem_shift_reference_1,34007,179987,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34008,180004,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34009,180020,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34010,180036,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34011,180053,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34012,180073,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34013,180096,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34014,180115,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34015,180134,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34016,180150,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34017,180169,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34018,180186,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34019,180208,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34022,180227,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34024,180245,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34025,180268,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34026,180291,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34027,180307,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34028,180326,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34029,180347,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34030,180368,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34031,180388,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34032,180409,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34033,180431,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34034,180450,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34035,180469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34036,180487,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34037,180509,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34038,180529,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34039,180548,1,,,,,,,indirect referncing chem_shift_reference,chem_shift_reference_par_set_one,3404,180563,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34040,180578,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34041,180598,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34042,180614,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34043,180631,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34044,180650,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34045,180669,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34046,180688,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34047,180706,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34048,180725,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34049,180743,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34050,180764,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34051,180782,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34052,180800,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34053,180825,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34054,180845,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34055,180864,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34056,180882,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34057,180907,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34058,180931,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34059,180948,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34060,180970,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34061,180994,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34062,181016,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34063,181035,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34064,181057,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34065,181078,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34066,181098,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34067,181118,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34068,181136,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34069,181156,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34070,181174,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34071,181192,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34072,181215,1,,,,,,,TSP internal standard chem_shift_reference,chem_shift_reference_1,34073,181236,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34074,181254,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34075,181272,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34076,181293,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34077,181316,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34078,181334,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34079,181360,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34080,181386,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34081,181401,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34082,181421,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34083,181440,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34084,181459,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34085,181478,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34086,181502,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34087,181520,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34088,181549,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34089,181586,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34090,181602,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34091,181618,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34092,181634,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34093,181654,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34094,181683,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34095,181704,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34098,181724,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34099,181744,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,341,181757,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34100,181780,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34101,181801,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34102,181823,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34103,181849,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34104,181875,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34105,181894,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34106,181913,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34108,181932,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34109,181950,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34110,181969,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34111,181987,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34112,182004,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34113,182023,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34114,182042,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34115,182070,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34116,182088,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34118,182106,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34119,182127,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34120,182144,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34121,182165,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34122,182184,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34123,182200,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34124,182216,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34125,182240,1,,,,,,,all chemical shifts are referenced to water signal chem_shift_reference,chem_shift_reference_1,34126,182260,1,,,,,,,"A small correction of -0.65 ppm was added to all 15N shifts in order to comply with the validation report. N.B. The indirect ratio given below for 15N does not reflect this additional correction." chem_shift_reference,chem_shift_reference_1,34127,182280,1,,,,,,,"A small correction of -0.88 ppm was added to all 15N shifts in order to comply with the validation report. N.B. The indirect ratio given below for 15N does not reflect this additional correction." chem_shift_reference,chem_shift_reference_1,34129,182300,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34130,182317,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34131,182349,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34132,182366,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34133,182383,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34134,182400,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34135,182418,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34136,182435,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34137,182451,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34138,182469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34139,182488,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34140,182511,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34141,182529,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34142,182547,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34143,182565,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34144,182585,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34145,182608,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34146,182632,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34149,182650,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34151,182677,1,,,,,,,DSS internal chem_shift_reference,chem_shift_reference_1,34152,182702,1,,,,,,,DSS internal chem_shift_reference,chem_shift_reference_1,34153,182719,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34154,182735,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34155,182756,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34157,182787,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34158,182817,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34159,182847,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34160,182870,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34161,182894,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34162,182913,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34163,182928,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34164,182950,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34165,182971,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34166,182989,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34167,183008,1,,,,,,,proton chemical shifts were referenced to the water resonance chem_shift_reference,chem_shift_reference_1,34168,183031,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34169,183045,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34170,183065,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34171,183083,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34172,183106,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34173,183123,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34174,183141,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34175,183159,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34176,183179,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34178,183201,1,,,,,,,"Internal chemical shift calibration, relative to DSS 1H resonance." chem_shift_reference,chem_shift_reference_1,34179,183217,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34180,183234,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34181,183251,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34182,183267,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34183,183287,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34184,183305,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34185,183322,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34186,183340,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34187,183357,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34188,183378,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34189,183396,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34190,183414,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34191,183432,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34193,183455,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34194,183479,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34195,183508,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34196,183534,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34198,183552,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34199,183572,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,342,183585,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34200,183603,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34201,183628,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34202,183645,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34203,183663,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34206,183681,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34207,183699,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34208,183720,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34209,183747,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34210,183765,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34211,183794,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34212,183815,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34213,183835,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34214,183855,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34215,183875,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34216,183891,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34217,183910,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34218,183933,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34219,183955,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34220,183978,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34221,183998,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34222,184017,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34223,184038,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34224,184058,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34225,184081,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34226,184108,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34227,184126,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34228,184146,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34229,184165,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34231,184188,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34232,184211,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34233,184233,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34234,184250,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34235,184267,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34236,184291,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34237,184307,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34238,184323,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34239,184340,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34240,184359,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34243,184378,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34244,184404,1,,,,,,,For spectra measured at 298K chem_shift_reference,chem_shift_reference_2,34244,184405,2,,,,,,,For spectra measured at 277K chem_shift_reference,chem_shift_reference_1,34245,184424,1,,,,,,,Spectra measured at 298K chem_shift_reference,chem_shift_reference_1,34246,184447,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34247,184466,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34248,184488,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34249,184504,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34250,184520,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34251,184537,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34252,184553,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34253,184569,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34254,184585,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34255,184609,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34256,184631,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34257,184657,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34258,184684,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34259,184712,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34260,184739,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34261,184761,1,,,,,,,referencing to water chem_shift_reference,chem_shift_reference_1,34262,184792,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34263,184811,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34264,184832,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34265,184851,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34266,184874,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34267,184891,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34268,184908,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34269,184929,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3427,184942,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34270,184958,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34271,184976,1,,,,,,,"1H, 13C" chem_shift_reference,chem_shift_reference_1,34272,184993,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34273,185011,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34274,185029,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34276,185054,1,,,,,,, chem_shift_reference,chem_shift_reference_2,34276,185055,2,,,,,,, chem_shift_reference,chem_shift_reference_1,34277,185081,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34278,185099,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34279,185117,1,,,,,,,0.2mM DSS added to the sample chem_shift_reference,chem_shift_reference_1,34280,185143,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34281,185160,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34282,185185,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34283,185204,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34284,185222,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34285,185242,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34286,185259,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34287,185281,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34288,185305,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34289,185333,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34290,185374,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34291,185400,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34292,185423,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34293,185445,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34294,185464,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34295,185487,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34296,185507,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34297,185524,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34298,185540,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34299,185561,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34300,185586,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34301,185607,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34302,185625,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34303,185648,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34304,185667,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34305,185684,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34306,185701,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34307,185725,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34308,185750,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34309,185767,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34311,185787,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34312,185809,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34313,185825,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34314,185843,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34315,185860,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34316,185877,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34318,185899,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34319,185915,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34320,185933,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34321,185957,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34322,185976,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34323,185997,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34324,186018,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34325,186034,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34326,186053,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34328,186077,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34329,186096,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3433,186107,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34330,186129,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34331,186146,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34332,186163,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34333,186181,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34334,186204,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34335,186222,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34336,186243,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34337,186260,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34338,186277,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34339,186299,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34340,186315,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34341,186334,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34342,186351,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34343,186367,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34344,186386,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34345,186403,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34346,186421,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34347,186440,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34348,186457,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34349,186473,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3435,186487,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34350,186503,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34351,186523,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34352,186543,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34353,186565,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34354,186582,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34355,186604,1,,,,,,,0 ppm chem_shift_reference,chem_shift_reference_1,34356,186627,1,,,,,,,0 ppm chem_shift_reference,chem_shift_reference_1,34357,186646,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34358,186665,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34359,186683,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3436,186697,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34360,186714,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34361,186732,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34362,186754,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34363,186771,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34365,186791,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34366,186809,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34367,186828,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34369,186847,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3437,186861,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34370,186878,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34371,186895,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34372,186913,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34373,186930,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34374,186949,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34376,186966,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34378,186987,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34379,187009,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34380,187026,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34381,187045,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34383,187062,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34384,187084,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34385,187101,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34387,187119,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34388,187138,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34389,187157,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34390,187176,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34391,187194,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34392,187216,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34393,187233,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34394,187254,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34395,187278,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34396,187301,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34397,187322,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34398,187340,1,,,,,,,For spectra measured at 298K chem_shift_reference,chem_shift_reference_2,34398,187341,2,,,,,,,For spectra measured at 277K chem_shift_reference,chem_shift_reference_1,34399,187361,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3440,187374,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34400,187394,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34401,187413,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34402,187432,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34403,187468,1,,,,,,,at 298 K chem_shift_reference,chem_shift_reference_2,34403,187469,2,,,,,,,at 313 K chem_shift_reference,chem_shift_reference_1,34406,187488,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34407,187508,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34408,187530,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34409,187550,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3441,187564,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34410,187582,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34411,187600,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34412,187618,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34413,187636,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34414,187653,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34416,187670,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34417,187687,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34418,187703,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34419,187720,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3442,187733,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34420,187749,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34421,187783,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34422,187813,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34423,187832,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34424,187856,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34425,187882,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34427,187907,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34428,187940,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34429,187962,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34430,187982,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34431,188005,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34432,188023,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34433,188040,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34434,188057,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34435,188077,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34436,188098,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34437,188117,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34438,188138,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34439,188156,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34440,188171,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34441,188194,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34443,188212,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34444,188232,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34445,188253,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34446,188271,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34447,188288,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34448,188305,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34451,188328,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34452,188345,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34454,188364,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34455,188387,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34456,188410,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34457,188428,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34459,188449,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34461,188477,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34462,188496,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34463,188513,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34465,188542,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34466,188559,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34467,188576,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34468,188595,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34469,188619,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34475,188638,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34476,188655,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34477,188675,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34480,188691,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34481,188711,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34482,188731,1,,,,,,,13C and 15N referencing was calculated with the calc_wishart.rw au-program from Topspin 3.1 written by Ruediger Weisemann at Bruker Biospin after Wishart et al. chem_shift_reference,chem_shift_reference_1,34483,188750,1,,,,,,,13C 15N referencing was achieved with the au program calc_wishart.rw in Topspin 3.5 written by Ruediger Weisemann (Bruker Biospin) after Wishart et al. chem_shift_reference,chem_shift_reference_1,34484,188771,1,,,,,,,13C 15N referencing was calculated using the au program calc_wishart.rw from Bruker Topspin 3.5 developed by Ruediger Weisemann (Bruker Biospin) after Wishart et al. chem_shift_reference,chem_shift_reference_1,34488,188791,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34489,188810,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3449,188823,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_1,34490,188841,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34492,188860,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34493,188881,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34494,188898,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34495,188915,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34496,188940,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34497,188966,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34498,188988,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34499,189009,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,345,189024,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34500,189047,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34502,189069,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34511,189086,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34514,189102,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34524,189122,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34525,189138,1,,,,,,, chem_shift_reference,chem_shift_reference_1,34533,189156,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3456,189169,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,346,189184,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3466,189197,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,3471,189211,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,3472,189225,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,3485,189238,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,349,189251,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,350,189264,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,351,189277,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3524,189290,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,3525,189303,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,353,189316,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,354,189329,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,3548,189342,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,355,189355,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,356,189368,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,357,189379,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,358,189392,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,359,189405,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,36,189419,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,360,189432,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36000,189456,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36001,189478,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36005,189501,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36006,189525,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36007,189549,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36008,189573,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36009,189591,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36011,189611,1,,,,,,, chem_shift_reference,chem_shift_reference_2,36012,189628,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36013,189651,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36014,189671,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36016,189687,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36017,189704,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36018,189722,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36019,189739,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36020,189758,1,,,,,,,"Non-labile and labile proton chemical shifts were measured at 278 and 273 K, respectively." chem_shift_reference,chem_shift_reference_1,36021,189777,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36022,189795,1,,,,,,,"Non-labile and labile proton chemical shifts were measured at 278 and 273 K, respectively." chem_shift_reference,chem_shift_reference_1,36023,189811,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36024,189827,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36025,189844,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36026,189860,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36027,189876,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36034,189895,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36037,189909,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36038,189925,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36040,189942,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36041,189960,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36044,189975,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36045,189993,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36047,190010,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36048,190029,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36049,190049,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36050,190068,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36051,190089,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36052,190110,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36053,190131,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36054,190152,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36055,190173,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36056,190194,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36057,190210,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36058,190228,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36059,190248,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36060,190267,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36061,190285,1,,,,,,,water chem_shift_reference,chem_shift_reference_1,36062,190301,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36064,190320,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36066,190338,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36068,190355,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36069,190370,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36070,190388,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36071,190407,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36072,190424,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36073,190440,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36074,190456,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36075,190474,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36077,190493,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36078,190512,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36079,190529,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36080,190544,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36081,190561,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36082,190578,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36083,190595,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36084,190612,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36085,190627,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36086,190650,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36087,190665,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36096,190682,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36097,190697,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36098,190712,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,361,190725,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36101,190748,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36103,190764,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36105,190781,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36106,190798,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36107,190815,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36109,190832,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36110,190849,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36111,190868,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36112,190884,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36114,190902,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36115,190920,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36116,190939,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36117,190961,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36119,190980,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36124,190995,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36125,191011,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36126,191027,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36129,191047,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36133,191067,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36136,191082,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36142,191102,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36143,191122,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36144,191138,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36146,191155,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36147,191171,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36148,191188,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36149,191205,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36150,191221,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36157,191238,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36158,191255,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36159,191276,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36160,191301,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36161,191320,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36162,191337,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36163,191356,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36165,191376,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36166,191399,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36167,191417,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36168,191435,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36170,191453,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36171,191469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36172,191491,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36174,191510,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36175,191527,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36176,191545,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36177,191564,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36179,191579,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36180,191594,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36181,191612,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36185,191627,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36186,191648,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36187,191670,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,362,191685,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36207,191703,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36220,191718,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36221,191735,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36228,191752,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36258,191769,1,,,,,,,Residual methyl group peak of acetic acid/d4 chem_shift_reference,chem_shift_reference_1,36263,191788,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36264,191806,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36265,191823,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36266,191840,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36273,191856,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36284,191882,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36288,191901,1,,,,,,,Chemical shift reference of 1H was based on the proton of water (4.771ppm at 293K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. chem_shift_reference,chem_shift_reference_1,36299,191918,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,363,191932,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36309,191952,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36320,191969,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36321,191991,1,,,,,,, chem_shift_reference,chem_shift_reference_1,36343,192012,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,364,192025,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,367,192040,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,369,192055,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,371,192068,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,372,192081,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,373,192094,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,374,192107,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,375,192120,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,376,192133,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,385,192146,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,386,192159,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,387,192172,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,388,192185,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,389,192198,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,39,192213,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,390,192227,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,391,192240,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,392,192253,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,393,192266,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,394,192279,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,395,192292,1,,,,,,, chem_shift_reference,chem_shift_ref,397,192312,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,398,192325,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,40,192338,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4001,192352,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,401,192371,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4010,192384,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4011,192398,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4012,192420,1,,,,,,,1H referenced to H2O - 4.77 PPM 25C chem_shift_reference,chemical_shift_reference,4019,192439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,402,192453,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4020,192466,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4022,192481,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4023,192494,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4024,192510,1,,,,,,, chem_shift_reference,chemical_shift_reference_DHFR(F98Y),4027,192531,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4028,192548,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4029,192564,1,,,,,,,all shifts indirectly referenced to DSS 1H shift chem_shift_reference,chemical_shift_reference_one,4030,192582,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4031,192596,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4032,192610,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4033,192623,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4034,192636,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4035,192652,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4036,192665,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4037,192680,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4038,192694,1,,,,,,,"protein samples did not contain DSS - separate sample of NMR buffer with DSS was used to obtain 1H 0 ppm frequency" chem_shift_reference,chemical_shift_reference,4039,192708,1,,,,,,,"Methods of reference follow the guidelines suggested in ""Wishart, D.S. and Sykes, B.D. Methods in Enzymology 239:363-385 Chemical shifts as tool for structure determination (1994)" chem_shift_reference,chemical_shift_reference_one,4040,192724,1,,,,,,, chem_shift_reference,chem_shift_reference,4041,192739,1,,,,,,,"Methods of reference follow the guidelines suggesed in ""Wishart, D.S. and Sykes, B.D. Methods in Enzymology 239:363-385 Chemical shifts as tool for structure dtermination (1994)" chem_shift_reference,chemical_shift_reference_one,4042,192755,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4043,192770,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4044,192783,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4045,192797,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4046,192811,1,,,,,,, chem_shift_reference,chem_shift_reference,4047,192825,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4048,192841,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4049,192859,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,405,192872,1,,,,,,, chem_shift_reference,chemical_shift_reference,4050,192887,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4051,192902,1,,,,,,, chem_shift_reference,chemical_shift_reference,4052,192921,1,,,,,,, chem_shift_reference,chemical_shift_reference,4053,192944,1,,,,,,, chem_shift_reference,chem_shift_reference_CMPcc_reduced,4054,192957,1,,,,,,,"DSS in water as described in Wishart D.S., Bigam C.G., Yao J., Abildgaard F., Dyson H.J., Oldfield E., Markley J.L., Sykes B.D. 1H, 13C and 15N chemical shift referencing in biomolecular NMR. J. Biomol. NMR 6, 135-140 (1995)." chem_shift_reference,chem_shift_reference_CMPcc_oxidized,4055,192973,1,,,,,,,"DSS in water as described in Wishart DS, Bigam CG, Yao J, Abildgaard F, Dyson HJ, Oldfield E, Markley JL, Sykes BD. 1995b. 1H, 13C and 15N chemical shift referencing in biomolecular NMR. J Biomol NMR 6:135-140." chem_shift_reference,chem_shift_reference_par_set_one,4056,192987,1,,,,,,, chem_shift_reference,chem_shift_reference_parameter_set_one,4057,193001,1,,,,,,, chem_shift_reference,chem_shift_reference_parameter_set_one,4058,193014,1,,,,,,, chem_shift_reference,chem_shift_reference_parameter_set_one,4059,193027,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4060,193042,1,,,,,,, chem_shift_reference,chemical_shift_reference_MbCO,4061,193061,1,,,,,,, chem_shift_reference,chem_shift_reference_MbCO,4062,193080,1,,,,,,,"All 1H chemical shifts were referenced to the VAL68 CGH3 resonance at -2.32 ppm relative to water at 4.68 ppm N15 chemical shifts were indirectly referenced to liquid NH3 by using the H1 frequency of the H2O resonance" chem_shift_reference,chemical_shift_reference,4063,193093,1,,,,,,, chem_shift_reference,chem_shift_reference,4064,193107,1,,,,,,, chem_shift_reference,chemical_shift_reference,4065,193120,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4066,193138,1,,,,,,,"15N assignments of Val8, Tyr11, Leu41, Val44" chem_shift_reference,chem_shift_reference_1,4067,193160,1,,,,,,, chem_shift_reference,chem_shift_reference,4068,193181,1,,,,,,, chem_shift_reference,chem_shift_reference_IGF-I,4069,193196,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,407,193211,1,,,,,,, chem_shift_reference,chem_shift_reference_FimC,4070,193227,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4071,193240,1,,,,,,, chem_shift_reference,chemical_shift_reference,4072,193255,1,,,,,,, chem_shift_reference,chem_shift_reference,4073,193279,1,,,,,,, chem_shift_reference,chem_shift_reference,4074,193303,1,,,,,,, chem_shift_reference,chem_shift_reference,4075,193317,1,,,,,,, chem_shift_reference,chem_shift_reference,4076,193330,1,,,,,,, chem_shift_reference,chem_shift_reference,4078,193344,1,,,,,,, chem_shift_reference,chem_shift_reference,4079,193360,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,408,193374,1,,,,,,, chem_shift_reference,chem_shift_reference,4080,193387,1,,,,,,, chem_shift_reference,chem_shift_reference,4081,193405,1,,,,,,, chem_shift_reference,chem_shift_reference,4082,193423,1,,,,,,, chem_shift_reference,chem_shift_reference,4083,193440,1,,,,,,, chem_shift_reference,chem_shift_reference,4084,193457,1,,,,,,, chem_shift_reference,chem_shift_reference,4085,193473,1,,,,,,, chem_shift_reference,chem_shift_reference,4086,193487,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4087,193503,1,,,,,,, chem_shift_reference,chemical_shift_reference,4088,193517,1,,,,,,, chem_shift_reference,chem_shift_ref,4089,193533,1,,,,,,, chem_shift_reference,chem_shift_ref,4090,193547,1,,,,,,, chem_shift_reference,chem_shift_reference,4091,193561,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4092,193574,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4093,193587,1,,,,,,, chem_shift_reference,chem_shift_reference,4094,193601,1,,,,,,, chem_shift_reference,chem_shift_reference,4095,193614,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4097,193632,1,,,,,,, chem_shift_reference,chemical_shift_reference,4098,193665,1,,,,,,,2.9M NH4Cl in 1M HCl chem_shift_reference,chemical_shift_reference_one,4099,193685,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,41,193699,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,410,193712,1,,,,,,, chem_shift_reference,chem_shift_reference,4100,193725,1,,,,,,, chem_shift_reference,chemical_shift_reference,4101,193736,1,,,,,,, chem_shift_reference,chemical_shift_reference,4102,193754,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4103,193771,1,,,,,,, chem_shift_reference,chemical_shift_reference,4104,193788,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4105,193804,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4106,193826,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4107,193841,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4108,193855,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4109,193884,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,411,193899,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4110,193916,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4111,193929,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4112,193940,1,,,,,,,"Methods of reference follow the guidelines suggested in ""Wishart, D.S. and Sykes, B.D. Methods in Enzymology 239:363-385 Chemical shifts as tool for structure determination (1994)" chem_shift_reference,chemical_shift_reference_one,4113,193953,1,,,,,,, chem_shift_reference,chemical_shift_reference,4114,193984,1,,,,,,, chem_shift_reference,chemical_shift_reference,4115,193999,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4116,194013,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4117,194027,1,,,,,,,"Method of Wishart and Sykes, Meth. Enzymol. 239, 363-392, (1994)." chem_shift_reference,chem_shift_reference_par_set_one,412,194040,1,,,,,,, chem_shift_reference,chemical_shift_reference,4120,194063,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4121,194078,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4122,194092,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4123,194105,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4124,194120,1,,,,,,, chem_shift_reference,chem_shift_reference_one,4125,194134,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4126,194147,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4127,194160,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4128,194175,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4129,194193,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,413,194208,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4130,194224,1,,,,,,,"The 15N and 13C referencing was done using the indirect referencing according to the article Wishart and Sykes, (1994), J. Biomol. NMR 4, 171-180" chem_shift_reference,chemical_shift_reference_one,4131,194240,1,,,,,,,"The 15N and 13C referencing was done using the indirect referencing according to the article Wishart and Sykes, (1994), J.B. NMR, 4 171-180" chem_shift_reference,chemical_shift_reference_one,4132,194255,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4133,194268,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4134,194285,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4135,194301,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4136,194321,1,,,,,,,"Internal TMS referencing for proton, 15N and 13C by frequency ratio" chem_shift_reference,chemical_shift_reference_one,4137,194339,1,,,,,,,"15N assignments of Val8, Tyr11, Leu41, Val44" chem_shift_reference,chemical_shift_reference_one,4138,194355,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,414,194369,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4140,194384,1,,,,,,, chem_shift_reference,reference,4141,194411,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4142,194428,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4143,194443,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4144,194456,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4145,194478,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4146,194494,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4147,194510,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4148,194522,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4149,194542,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,415,194555,1,,,,,,, chem_shift_reference,chemical_shift_reference,4150,194572,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4151,194588,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4152,194604,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4153,194621,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4154,194642,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4155,194660,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4156,194676,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4157,194690,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4158,194705,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4159,194731,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,416,194744,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4160,194758,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4161,194778,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4162,194794,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4163,194808,1,,,,,,, chem_shift_reference,chemical_shift_reference,4164,194833,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4165,194851,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4166,194872,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4167,194893,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4168,194907,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4169,194928,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,417,194941,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4170,194961,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4171,194977,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4172,194997,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4173,195025,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4174,195042,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4175,195058,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4176,195075,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4177,195097,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4179,195113,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,418,195127,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4180,195143,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4181,195164,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4182,195180,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4183,195195,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4184,195230,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4185,195248,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4186,195264,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4187,195284,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4188,195301,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4189,195322,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,419,195336,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4190,195351,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4191,195365,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4192,195380,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4193,195409,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4194,195429,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4195,195445,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4197,195468,1,,,,,,, chem_shift_reference,chemical_shift_reference,4198,195482,1,,,,,,,The nitromethane was a 1:1 solution with CDCL3. chem_shift_reference,chemical_shift_reference_one,4199,195498,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,42,195512,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,420,195527,1,,,,,,, chem_shift_reference,chemical_shift_reference,4200,195547,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4201,195565,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4202,195585,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4203,195606,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4204,195626,1,,,,,,, chem_shift_reference,chemical_shift_ref,4205,195658,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4206,195673,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4207,195693,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4208,195708,1,,,,,,, chem_shift_reference,chemical_shift_reference,4209,195745,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,421,195759,1,,,,,,, chem_shift_reference,chemical_shift_reference,4210,195773,1,,,,,,, chem_shift_reference,chem_shift_ref,4211,195788,1,,,,,,, chem_shift_reference,chemical_shift_ref,4213,195827,1,,,,,,, chem_shift_reference,chemical_shift_reference,4214,195847,1,,,,,,, chem_shift_reference,chemical_shift_reference,4215,195864,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4216,195877,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4217,195891,1,,,,,,, chem_shift_reference,chem_shift_ref,4218,195905,1,,,,,,, chem_shift_reference,chemical_shift_reference,4219,195924,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,422,195938,1,,,,,,, chem_shift_reference,chem_shift_ref,4220,195954,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4221,195970,1,,,,,,, chem_shift_reference,chemical_shift_reference,4222,195990,1,,,,,,, chem_shift_reference,chemical_shift_reference,4223,196004,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4224,196024,1,,,,,,, chem_shift_reference,chemical_shift_reference,4225,196044,1,,,,,,, chem_shift_reference,chemical_shift_reference,4226,196070,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4227,196084,1,,,,,,, chem_shift_reference,chemical_shift_reference,4228,196098,1,,,,,,, chem_shift_reference,chemical_shift_reference,4229,196116,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,423,196131,1,,,,,,, chem_shift_reference,chemical_shift_reference,4230,196151,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4231,196169,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,4231,196170,2,,,,,,, chem_shift_reference,chemical_shift_reference_one,4232,196189,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4233,196209,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4234,196227,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4235,196242,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4236,196257,1,,,,,,, chem_shift_reference,chemical_shift_reference,4237,196283,1,,,,,,, chem_shift_reference,chem_shift_reference,4239,196300,1,,,,,,, chem_shift_reference,chem_shift_ref,4240,196328,1,,,,,,,"The chemical shifts reported for this entry are referenced to the chemical shift of the dC17 H5-H6 NOE cross peak from the major conformer of this molecule (reported as 5.18 and 7.18 ppm, respectively). The reference is Yeh, H. J. C. et al. (1995) Biochemistry 34, 1364-1375." chem_shift_reference,chemical_shift_reference_one,4241,196355,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4242,196373,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4243,196397,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4244,196414,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4246,196459,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4247,196476,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4248,196516,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4249,196541,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4250,196563,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4251,196575,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4252,196592,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4253,196617,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4254,196632,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4255,196647,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4256,196662,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4257,196684,1,,,,,,, chem_shift_reference,chemical_shift_reference,4258,196698,1,,,,,,, chem_shift_reference,chemical_shift_reference,4259,196718,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,426,196731,1,,,,,,, chem_shift_reference,chemical_shift_reference,4260,196751,1,,,,,,, chem_shift_reference,chemical_shift_reference,4261,196767,1,,,,,,, chem_shift_reference,chem_shift_ref,4262,196793,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4263,196816,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4264,196840,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4265,196874,1,,,,,,,"Proton was referenced to water (4.772 ppm at 25C) and then the 15N and 13C were referenced based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference_one,4266,196887,1,,,,,,, chem_shift_reference,chemical_shift_reference,4267,196902,1,,,,,,,"Internal TMS referencing for proton, 15N and 13C by frequency ratio" chem_shift_reference,chemical_shift_reference,4268,196938,1,,,,,,, chem_shift_reference,chemical_shift_reference,4269,196964,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4270,196981,1,,,,,,, chem_shift_reference,chemical_shift_reference,4271,197007,1,,,,,,, chem_shift_reference,chemical_shift_reference,4272,197029,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4273,197048,1,,,,,,, chem_shift_reference,chemical_shift_reference,4276,197069,1,,,,,,, chem_shift_reference,chemical_shift_reference,4278,197096,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4279,197113,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,428,197127,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4280,197140,1,,,,,,, chem_shift_reference,chemical_shift_reference,4281,197170,1,,,,,,, chem_shift_reference,chemical_shift_reference,4282,197201,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4283,197218,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4284,197252,1,,,,,,, chem_shift_reference,chemical_shift_reference,4285,197267,1,,,,,,, chem_shift_reference,chemical_shift_reference,4286,197287,1,,,,,,, chem_shift_reference,chemical_shift_reference,4287,197305,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4288,197319,1,,,,,,, chem_shift_reference,chemical_shift_reference,4289,197341,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,429,197355,1,,,,,,, chem_shift_reference,chemical_shift_reference,4290,197373,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4291,197391,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4292,197406,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4293,197436,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4294,197450,1,,,,,,, chem_shift_reference,chemical_shift_reference,4295,197469,1,,,,,,, chem_shift_reference,chemical_shift_reference,4296,197505,1,,,,,,, chem_shift_reference,chemical_shift_reference,4297,197521,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4298,197538,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4299,197552,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,430,197566,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4300,197583,1,,,,,,, chem_shift_reference,chemical_shift_reference_p14a,4301,197600,1,,,,,,, chem_shift_reference,chemical_shift_reference,4302,197614,1,,,,,,, chem_shift_reference,chemical_shift_reference,4303,197631,1,,,,,,, chem_shift_reference,chemical_shift_reference,4304,197646,1,,,,,,, chem_shift_reference,chemical_shift_reference,4305,197661,1,,,,,,, chem_shift_reference,chemical_shift_reference,4306,197685,1,,,,,,, chem_shift_reference,chemical_shift_reference,4307,197704,1,,,,,,, chem_shift_reference,chemical_shift_reference,4308,197727,1,,,,,,, chem_shift_reference,chemical_shift_reference,4309,197750,1,,,,,,, chem_shift_reference,chemical_shift_reference,4310,197771,1,,,,,,, chem_shift_reference,chemical_shift_reference,4311,197787,1,,,,,,, chem_shift_reference,chemical_shift_reference,4312,197808,1,,,,,,, chem_shift_reference,chemical_shift_reference,4313,197831,1,,,,,,, chem_shift_reference,chemical_shift_reference,4314,197852,1,,,,,,, chem_shift_reference,chemical_shift_reference,4315,197875,1,,,,,,, chem_shift_reference,chemical_shift_reference,4316,197909,1,,,,,,, chem_shift_reference,chemical_shift_reference,4317,197928,1,,,,,,, chem_shift_reference,chemical_shift_reference,4318,197941,1,,,,,,, chem_shift_reference,chem_shift_reference_Rubredoxin-ox,4319,197962,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,432,197980,1,,,,,,, chem_shift_reference,chem_shift_reference_Rubredoxin-re,4320,198001,1,,,,,,, chem_shift_reference,chemical_shift_reference,4321,198021,1,,,,,,, chem_shift_reference,chemical_shift_reference,4322,198038,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4323,198052,1,,,,,,, chem_shift_reference,chemical_shift_reference,4324,198069,1,,,,,,, chem_shift_reference,chemical_shift_reference,4325,198086,1,,,,,,, chem_shift_reference,chemical_shift_reference,4326,198103,1,,,,,,, chem_shift_reference,chemical_shift_reference,4327,198119,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4328,198134,1,,,,,,, chem_shift_reference,chemical_shift_reference,4329,198157,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,433,198170,1,,,,,,, chem_shift_reference,chemical_shift_reference,4330,198185,1,,,,,,, chem_shift_reference,chemical_shift_reference,4331,198198,1,,,,,,, chem_shift_reference,chemical_shift_reference,4332,198217,1,,,,,,,"The chemical shift of water at 20C has previously been determined with respect to dioxane at 3.743ppm. 15N chemical shifts were referenced using the method of Live et al." chem_shift_reference,chemical_shift_reference,4333,198231,1,,,,,,, chem_shift_reference,csReference1,4334,198245,1,,,,,,, chem_shift_reference,chemical_shift_reference,4335,198272,1,,,,,,, chem_shift_reference,chemical_shift_reference,4336,198296,1,,,,,,, chem_shift_reference,chemical_shift_reference,4337,198317,1,,,,,,, chem_shift_reference,chemical_shift_reference,4338,198339,1,,,,,,, chem_shift_reference,chemical_shift_reference,4339,198359,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,434,198372,1,,,,,,, chem_shift_reference,chemical_shift_reference,4340,198405,1,,,,,,, chem_shift_reference,chemical_shift_reference,4341,198431,1,,,,,,, chem_shift_reference,chemical_shift_reference,4342,198455,1,,,,,,, chem_shift_reference,chem_shift_reference,4343,198468,1,,,,,,, chem_shift_reference,chemical_shift_reference,4344,198493,1,,,,,,, chem_shift_reference,Chemical_shift_reference,4345,198513,1,,,,,,, chem_shift_reference,chemical_shift_reference,4346,198531,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4347,198549,1,,,,,,, chem_shift_reference,chemical_shift_reference,4348,198571,1,,,,,,,"proton chemical shifts were referenced indirectly to DSS using the water peak as 4.73 ppm at 37C" chem_shift_reference,chemical_shift_reference_set_1,4349,198595,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,435,198609,1,,,,,,, chem_shift_reference,chemical_shift_reference,4350,198629,1,,,,,,, chem_shift_reference,chemical_shift_reference,4351,198645,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_one,4352,198669,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4353,198684,1,,,,,,, chem_shift_reference,chemical_shift_reference,4354,198702,1,,,,,,, chem_shift_reference,chemical_shift_reference,4355,198720,1,,,,,,, chem_shift_reference,chemical_shift_reference,4357,198742,1,,,,,,, chem_shift_reference,chemical_shift_reference,4358,198763,1,,,,,,, chem_shift_reference,chemical_shift_reference,4359,198786,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,436,198802,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4360,198819,1,,,,,,, chem_shift_reference,chemical_shift_reference,4361,198842,1,,,,,,, chem_shift_reference,chemical_shift_reference,4362,198866,1,,,,,,, chem_shift_reference,chemical_shift_reference,4363,198884,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4364,198906,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4367,198966,1,,,,,,, chem_shift_reference,chemical_shift_reference,4368,198994,1,,,,,,, chem_shift_reference,chemical_shift_reference,4369,199012,1,,,,,,,Proton shifts were referenced to the shift of water (4.732 ppm) at 30C. chem_shift_reference,chem_shift_reference_par_set_one,437,199028,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4370,199051,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4371,199068,1,,,,,,, chem_shift_reference,chemical_shift_reference,4372,199082,1,,,,,,, chem_shift_reference,chemical_shift_reference,4373,199101,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4374,199116,1,,,,,,,"Proton chemical shifts referenced directly to external DSS (concentration 10 mM) in D2O. Carbon and nitrogen chemical shifts are indirectly referenced to 0 ppm proton, based on the method by Wishart et al. Reference: Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D., ""1H, 13C and 15N Chemical Shift Referencing in Biomolecular NMR,"" J. Biomol. NMR 6, 135-140 (1995). Note that the given indirectly referenced 13C and 15N chemical shifts are not corrected for temperature and pH, as recommended by the IUPAC-IUBMB-IUPAB Task Group." chem_shift_reference,chemical_shift_reference_one,4375,199130,1,,,,,,,"Internal reference with DSS and TSP, we found no difference." chem_shift_reference,chemical_shift_reference,4376,199148,1,,,,,,,"Internal TMS referencing for proton, 15N and 13C by frequency ratio" chem_shift_reference,chemical_shift_reference_set_one,4377,199172,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4378,199192,1,,,,,,, chem_shift_reference,chemical_shift_reference,4379,199217,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,438,199232,1,,,,,,, chem_shift_reference,chemical_shift_reference,4380,199248,1,,,,,,, chem_shift_reference,chemical_shift_reference,4381,199267,1,,,,,,, chem_shift_reference,chemical_shift_reference,4382,199285,1,,,,,,, chem_shift_reference,chemical_shift_reference,4383,199300,1,,,,,,, chem_shift_reference,chemical_shift_reference,4384,199321,1,,,,,,,"1H is referenced directly by assigning to the detected H2O signal (at 303K) a value of 4.725167 ppm. 13C and 15N shifts are referenced indirectly to 1H. The errors in the chemical shift of a particular atom are upper limit estimates from the spectral resolution in the spectrum where the corresponding signal was assigned. H and N are obtained from HSQC, C' from HNCO, and aliphatic/aromatic H and C from 4D-C,C-NOESY." chem_shift_reference,chemical_shift_reference,4385,199345,1,,,,,,, chem_shift_reference,chemical_shift_reference,4386,199366,1,,,,,,, chem_shift_reference,chemical_shift_reference,4387,199382,1,,,,,,, chem_shift_reference,chemical_shift_reference,4388,199403,1,,,,,,, chem_shift_reference,chemical_shift_references_set_1,4389,199421,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,439,199436,1,,,,,,, chem_shift_reference,chemical_shift_reference,4391,199463,1,,,,,,,Chemical shift of solvent was used for referencing chem_shift_reference,chemical_shift_reference_set_1,4392,199479,1,,,,,,, chem_shift_reference,chemical_shift_reference,4393,199494,1,,,,,,, chem_shift_reference,chemical_shift_reference,4394,199512,1,,,,,,, chem_shift_reference,chemical_shift_reference,4395,199528,1,,,,,,, chem_shift_reference,chemical_shift_reference,4396,199553,1,,,,,,, chem_shift_reference,chemical_shift_reference,4397,199567,1,,,,,,, chem_shift_reference,chemical_shift_reference,4398,199583,1,,,,,,, chem_shift_reference,chemical_shift_reference,4399,199598,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,44,199611,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,440,199624,1,,,,,,, chem_shift_reference,chemical_shift_reference,4400,199640,1,,,,,,, chem_shift_reference,chemical_shift_reference,4401,199672,1,,,,,,, chem_shift_reference,chemical_shift_reference,4402,199695,1,,,,,,, chem_shift_reference,chemical_shifts_reference_set_1,4403,199720,1,,,,,,, chem_shift_reference,chemical_shift_reference,4404,199742,1,,,,,,, chem_shift_reference,chemical_shift_reference,4405,199756,1,,,,,,, chem_shift_reference,chemical_shift_reference,4406,199774,1,,,,,,, chem_shift_reference,chemical_shift_reference,4407,199796,1,,,,,,, chem_shift_reference,chemical_shift_reference,4408,199814,1,,,,,,, chem_shift_reference,chemical_shift_reference,4409,199832,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,441,199846,1,,,,,,, chem_shift_reference,chemical_shift_reference,4410,199867,1,,,,,,, chem_shift_reference,chem_shift_ref,4411,199888,1,,,,,,, chem_shift_reference,chem_shift_ref,4412,199904,1,,,,,,, chem_shift_reference,chem_shift_ref,4413,199940,1,,,,,,, chem_shift_reference,chem_shift_ref,4414,199959,1,,,,,,, chem_shift_reference,chem_shift_ref,4415,199979,1,,,,,,, chem_shift_reference,chemical_shift_reference,4416,199999,1,,,,,,, chem_shift_reference,chemical_shift_reference,4417,200028,1,,,,,,, chem_shift_reference,chemical_shift_reference,4418,200053,1,,,,,,, chem_shift_reference,chemical_shift_reference,4419,200079,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,442,200093,1,,,,,,, chem_shift_reference,chemical_shift_reference,4420,200109,1,,,,,,, chem_shift_reference,chemical_shift_reference,4421,200122,1,,,,,,, chem_shift_reference,chemical_shift_reference,4422,200143,1,,,,,,, chem_shift_reference,chem_shift_ref,4423,200173,1,,,,,,, chem_shift_reference,chem_shift_ref,4424,200199,1,,,,,,, chem_shift_reference,chem_shift_ref,4425,200225,1,,,,,,, chem_shift_reference,chemical_shift_reference,4426,200241,1,,,,,,, chem_shift_reference,chemical_shift_reference,4427,200256,1,,,,,,, chem_shift_reference,chemical_shift_reference,4428,200283,1,,,,,,, chem_shift_reference,chem_shift_ref,4429,200311,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,443,200325,1,,,,,,, chem_shift_reference,chem_shift_ref,4430,200345,1,,,,,,, chem_shift_reference,chemical_shift_reference,4431,200373,1,,,,,,,"The reference is to TMS and 2.81 ppm should be added to all carbon values when compared with TSP." chem_shift_reference,chemical_shift_reference,4432,200394,1,,,,,,, chem_shift_reference,chemical_shift_reference,4433,200416,1,,,,,,, chem_shift_reference,chemical_shift_reference,4434,200442,1,,,,,,, chem_shift_reference,chemical_shift_reference,4435,200461,1,,,,,,, chem_shift_reference,chemical_shift_reference,4436,200483,1,,,,,,, chem_shift_reference,chem_shift_ref,4437,200524,1,,,,,,, chem_shift_reference,chemical_shift_reference,4438,200551,1,,,,,,, chem_shift_reference,chemical_shift_reference,4439,200566,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,444,200579,1,,,,,,, chem_shift_reference,chemical_shift_reference,4440,200594,1,,,,,,, chem_shift_reference,chemical_shift_reference,4441,200609,1,,,,,,, chem_shift_reference,chemical_shift_reference,4442,200624,1,,,,,,, chem_shift_reference,chemical_shift_reference,4443,200644,1,,,,,,, chem_shift_reference,chemical_shift_reference,4444,200664,1,,,,,,, chem_shift_reference,chemical_shift_reference,4445,200707,1,,,,,,,"The ratio used to calculate the 13C and 15N chemical shift is based on the 1H chemical shift of the H2O signal at 295K." chem_shift_reference,chemical_shift_reference,4446,200734,1,,,,,,, chem_shift_reference,chemical_shift_reference,4447,200755,1,,,,,,, chem_shift_reference,chemical_shift_reference,4448,200786,1,,,,,,, chem_shift_reference,chemical_shift_reference,4449,200812,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4451,200838,1,,,,,,, chem_shift_reference,chem_shift_ref,4452,200867,1,,,,,,, chem_shift_reference,chemical_shift_reference,4453,200901,1,,,,,,, chem_shift_reference,chemical_shift_reference,4454,200927,1,,,,,,, chem_shift_reference,chemical_shift_reference,4455,200949,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4456,200966,1,,,,,,, chem_shift_reference,chemical_shift_reference,4457,200991,1,,,,,,, chem_shift_reference,chemical_shift_reference,4458,201005,1,,,,,,, chem_shift_reference,chemical_shift_reference,4459,201020,1,,,,,,, chem_shift_reference,chemical_shift_reference,4460,201060,1,,,,,,, chem_shift_reference,chemical_shift_reference,4461,201076,1,,,,,,, chem_shift_reference,chemical_shift_reference,4462,201098,1,,,,,,, chem_shift_reference,chemical_shift_reference,4463,201131,1,,,,,,, chem_shift_reference,chemical_shift_reference,4464,201146,1,,,,,,, chem_shift_reference,chemical_shift_reference,4465,201171,1,,,,,,, chem_shift_reference,standard_referencing,4466,201190,1,,,,,,,"All chemical shifts were related to the 1H chemical shift of H2O at pH 6.6 and 298K the 15N chemical shift corresponding to 76.016153 is calculated as 119.591ppm." chem_shift_reference,chemical_shift_reference,4467,201227,1,,,,,,, chem_shift_reference,chemical_shift_reference,4468,201242,1,,,,,,, chem_shift_reference,chemical_shift_reference,4469,201256,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,447,201270,1,,,,,,, chem_shift_reference,chemical_shift_reference,4470,201291,1,,,,,,, chem_shift_reference,chemical_shift_reference,4471,201325,1,,,,,,, chem_shift_reference,chemical_shift_reference,4472,201350,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4473,201370,1,,,,,,, chem_shift_reference,chem_shift_ref,4475,201387,1,,,,,,, chem_shift_reference,chem_shift_ref,4476,201402,1,,,,,,, chem_shift_reference,chem_shift_ref,4477,201418,1,,,,,,, chem_shift_reference,chem_shift_ref,4478,201431,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,448,201444,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4483,201460,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4486,201474,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4487,201492,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4488,201508,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,449,201523,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4490,201536,1,,,,,,, chem_shift_reference,chem_shift_ref,4491,201551,1,,,,,,, chem_shift_reference,chem_shift_ref,4492,201572,1,,,,,,, chem_shift_reference,chem_shift_ref,4493,201596,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4494,201609,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4496,201638,1,,,,,,, chem_shift_reference,chem_shift_ref,4497,201667,1,,,,,,, chem_shift_reference,chem_shift_ref,4498,201683,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,45,201696,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,450,201710,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4500,201730,1,,,,,,, chem_shift_reference,chemical_shift_reference,4503,201759,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4506,201778,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4507,201794,1,,,,,,, chem_shift_reference,chem_shift_ref,4509,201813,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,451,201827,1,,,,,,, chem_shift_reference,chemical_shift_reference,4510,201859,1,,,,,,, chem_shift_reference,chemical_shift_reference,4514,201884,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4516,201908,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4519,201933,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,452,201947,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4524,201995,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4526,202019,1,,,,,,, chem_shift_reference,chemical_shift_reference,4527,202038,1,,,,,,, chem_shift_reference,chemical_shift_reference,4528,202062,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,453,202077,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4536,202099,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,454,202113,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4540,202126,1,,,,,,, chem_shift_reference,chemical_shift_reference,4541,202144,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4542,202166,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4547,202193,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,455,202209,1,,,,,,, chem_shift_reference,chem_shift_ref,4550,202230,1,,,,,,, chem_shift_reference,chemical_shift_reference,4552,202262,1,,,,,,, chem_shift_reference,chemical_shift_reference,4553,202286,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4554,202329,1,,,,,,, chem_shift_reference,chemical_shift_reference,4555,202349,1,,,,,,, chem_shift_reference,chemical_shift_reference,4556,202370,1,,,,,,, chem_shift_reference,chemical_shift_ref,4557,202392,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4558,202415,1,,,,,,, chem_shift_reference,chemical_shift_reference,4559,202442,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,456,202456,1,,,,,,, chem_shift_reference,chemical_shift_reference,4560,202488,1,,,,,,, chem_shift_reference,chemical_shift_reference,4561,202512,1,,,,,,, chem_shift_reference,chemical_shift_reference,4562,202532,1,,,,,,, chem_shift_reference,chemical_shift_reference,4563,202557,1,,,,,,, chem_shift_reference,chemical_shift_reference,4564,202584,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,4565,202599,1,,,,,,, chem_shift_reference,chemical_shift_reference,4566,202639,1,,,,,,, chem_shift_reference,chemical_shift_reference,4567,202663,1,,,,,,, chem_shift_reference,chemical_shift_reference,4568,202687,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,457,202701,1,,,,,,, chem_shift_reference,chemical_shift_reference,4570,202718,1,,,,,,, chem_shift_reference,chemical_shift_reference,4571,202737,1,,,,,,, chem_shift_reference,chemical_shift_reference,4572,202760,1,,,,,,, chem_shift_reference,chemical_shift_reference_label,4573,202775,1,,,,,,,"The 15N and 13C referencing was done using the indirect referencing according to the article Wishart and Sykes (1994), J.Biomol. NMR 4, 171-180." chem_shift_reference,chemical_shift_reference_label,4574,202793,1,,,,,,, chem_shift_reference,chemical_shift_reference,4575,202816,1,,,,,,, chem_shift_reference,chemical_shift_reference,4576,202835,1,,,,,,, chem_shift_reference,chemical_shift_reference,4577,202876,1,,,,,,, chem_shift_reference,chemical_shift_reference,4578,202906,1,,,,,,, chem_shift_reference,chemical_shift_reference,4579,202940,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,458,202954,1,,,,,,, chem_shift_reference,chemical_shift_reference,4580,202976,1,,,,,,, chem_shift_reference,chemical_shift_reference,4581,203000,1,,,,,,, chem_shift_reference,chemical_shift_reference,4583,203015,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4584,203045,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4585,203064,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4587,203082,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4588,203109,1,,,,,,, chem_shift_reference,chemical_shift_reference,4589,203133,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,459,203148,1,,,,,,, chem_shift_reference,chemical_shift_reference,4590,203167,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4591,203187,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4592,203208,1,,,,,,, chem_shift_reference,chemical_shift_reference,4593,203229,1,,,,,,, chem_shift_reference,chemical_shift_reference,4595,203248,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4596,203266,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4597,203284,1,,,,,,, chem_shift_reference,chemical_shift_reference,4598,203302,1,,,,,,, chem_shift_reference,chemical_shift_reference,4599,203334,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,46,203347,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,460,203361,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4600,203377,1,,,,,,, chem_shift_reference,chemical_shift_reference,4601,203398,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4602,203417,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4603,203436,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4604,203459,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4607,203473,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4609,203491,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,461,203505,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4610,203524,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4612,203542,1,,,,,,, chem_shift_reference,chemical_shift_reference,4614,203559,1,,,,,,, chem_shift_reference,chemical_shift_reference,4615,203575,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4616,203588,1,,,,,,, chem_shift_reference,chemical_shift_reference,4617,203606,1,,,,,,, chem_shift_reference,chemical_shift_reference,4618,203620,1,,,,,,, chem_shift_reference,chemical_shift_reference,4619,203640,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,462,203654,1,,,,,,, chem_shift_reference,chemical_shift_reference,4620,203667,1,,,,,,, chem_shift_reference,chemical_shift_reference,4621,203682,1,,,,,,, chem_shift_reference,chemical_shift_reference,4622,203695,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4623,203710,1,,,,,,, chem_shift_reference,chemical_shift_reference,4628,203727,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,463,203742,1,,,,,,, chem_shift_reference,chemical_shift_reference,4633,203807,1,,,,,,, chem_shift_reference,chemical_shift_reference,4636,203857,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4637,203875,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4638,203893,1,,,,,,, chem_shift_reference,chemical_shift_reference,4639,203912,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,464,203926,1,,,,,,, chem_shift_reference,chemical_shift_reference,4640,203941,1,,,,,,, chem_shift_reference,chemical_shift_reference,4641,203959,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4642,203974,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4643,203990,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4644,204011,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4645,204031,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4646,204052,1,,,,,,, chem_shift_reference,chemical_shift_reference,4647,204071,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4648,204090,1,,,,,,, chem_shift_reference,chemical_shift_reference,4649,204112,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,465,204126,1,,,,,,, chem_shift_reference,chemical_shift_reference,4650,204140,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4651,204155,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4652,204170,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4653,204185,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4654,204200,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4655,204215,1,,,,,,, chem_shift_reference,chemical_shift_reference,4656,204231,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,466,204245,1,,,,,,, chem_shift_reference,chemical_shift_reference,4661,204263,1,,,,,,, chem_shift_reference,chemical_shift_reference,4663,204276,1,,,,,,, chem_shift_reference,chemical_shift_reference,4664,204294,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4666,204317,1,,,,,,, chem_shift_reference,chemical_shift_reference,4668,204340,1,,,,,,, chem_shift_reference,chemical_shift_reference,4669,204355,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,467,204369,1,,,,,,, chem_shift_reference,chemical_shift_reference,4670,204384,1,,,,,,, chem_shift_reference,chemical_shift_reference,4671,204402,1,,,,,,, chem_shift_reference,chemical_shift_reference,4673,204425,1,,,,,,, chem_shift_reference,chemical_shift_reference,4674,204439,1,,,,,,, chem_shift_reference,chem_ref_1,4675,204453,1,,,,,,, chem_shift_reference,chemical_shift_reference,4676,204467,1,,,,,,,"13C and 15N were referenced using standard ratios (Wishart et al., 1995)" chem_shift_reference,chemical_shift_reference,4677,204489,1,,,,,,, chem_shift_reference,chemical_shift_reference,4678,204504,1,,,,,,, chem_shift_reference,chemical_shift_reference,4679,204520,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,468,204534,1,,,,,,, chem_shift_reference,chemical_shift_reference,4680,204547,1,,,,,,, chem_shift_reference,chemical_shift_reference,4681,204566,1,,,,,,, chem_shift_reference,chemical_shift_reference,4682,204590,1,,,,,,, chem_shift_reference,chemical_shift_reference,4683,204612,1,,,,,,, chem_shift_reference,chemical_shift_reference,4684,204628,1,,,,,,, chem_shift_reference,chemical_shift_reference,4685,204645,1,,,,,,, chem_shift_reference,chemical_shift_reference,4686,204659,1,,,,,,, chem_shift_reference,chemical_shift_reference,4687,204677,1,,,,,,, chem_shift_reference,chemical_shift_reference,4688,204694,1,,,,,,, chem_shift_reference,chemical_shift_reference,4689,204714,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,469,204737,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4692,204754,1,,,,,,,"for P31, the reference is Trimethyl phosphate, 3.456 ppm downfield from phosphoric acid" chem_shift_reference,chemical_shift_reference,4694,204773,1,,,,,,, chem_shift_reference,chemical_shift_reference,4695,204791,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4696,204804,1,,,,,,, chem_shift_reference,chemical_shift_reference,4697,204818,1,,,,,,, chem_shift_reference,chemical_shift_reference,4698,204841,1,,,,,,, chem_shift_reference,chemical_shift_reference,4699,204855,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,470,204869,1,,,,,,, chem_shift_reference,chemical_shift_reference,4700,204889,1,,,,,,, chem_shift_reference,chemical_shift_reference,4701,204912,1,,,,,,, chem_shift_reference,chemical_shift_reference,4702,204936,1,,,,,,, chem_shift_reference,chemical_shift_reference,4703,204955,1,,,,,,, chem_shift_reference,chemical_shift_reference,4704,204972,1,,,,,,,"Referenced to 2.9 M NH4Cl in 1 M HCl at 29.43 ppm. This yields 15N shifts 1.6 ppm greater than obtained using liquid NH3 HN, N, CA, and CB shifts for the free (apo) BCX, as originally reported in Plesniak, Wakarchuk, and McIntosh, Protein Science, 5, 1118-1135, 1996 HN, N, CA, and CB shifts for BCX covalently modified with 2-deoxy-2fluoro-xylobiose at Glu78 (2FXb-BCX). These shifts correspond to the primary reference of Connelly, Withers, and McIntosh, Protein Science. Original assignments reported in Plesniak, Wakarchuk and McIntosh, Protein Sceince, 5: 1118-1135 (1996)" chem_shift_reference,chemical_shift_reference,4706,204996,1,,,,,,, chem_shift_reference,chemical_shift_reference,4707,205023,1,,,,,,, chem_shift_reference,chemical_shift_reference,4708,205052,1,,,,,,, chem_shift_reference,chemical_shift_reference,4709,205079,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,471,205093,1,,,,,,, chem_shift_reference,chemical_shift_reference,4710,205122,1,,,,,,, chem_shift_reference,chem_shift_ref,4711,205140,1,,,,,,, chem_shift_reference,chemical_shift_reference,4712,205157,1,,,,,,, chem_shift_reference,chemical_shift_reference,4713,205175,1,,,,,,, chem_shift_reference,chemical_shift_reference,4714,205193,1,,,,,,, chem_shift_reference,chemical_shift_reference,4715,205211,1,,,,,,, chem_shift_reference,chemical_shift_reference,4716,205229,1,,,,,,, chem_shift_reference,chemical_shift_reference,4717,205243,1,,,,,,, chem_shift_reference,chemical_shift_reference,4718,205264,1,,,,,,, chem_shift_reference,chemical_shift_reference,4719,205295,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,472,205309,1,,,,,,, chem_shift_reference,chemical_shift_reference,4720,205322,1,,,,,,, chem_shift_reference,chemical_shift_reference_label,4721,205345,1,,,,,,, chem_shift_reference,chemical_shift_reference,4722,205362,1,,,,,,, chem_shift_reference,chemical_shift_reference,4723,205382,1,,,,,,, chem_shift_reference,chemical_shift_reference,4724,205404,1,,,,,,, chem_shift_reference,chemical_shift_reference,4725,205428,1,,,,,,, chem_shift_reference,chem_shift_ref,4726,205445,1,,,,,,, chem_shift_reference,chemical_shift_reference,4727,205478,1,,,,,,, chem_shift_reference,chemical_shift_reference,4728,205492,1,,,,,,, chem_shift_reference,chemical_shift_reference,4729,205521,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,473,205536,1,,,,,,, chem_shift_reference,chemical_shift_reference,4731,205549,1,,,,,,, chem_shift_reference,chemical_shift_reference,4732,205569,1,,,,,,, chem_shift_reference,chemical_shift_reference,4733,205590,1,,,,,,, chem_shift_reference,chemical_shift_reference,4734,205613,1,,,,,,, chem_shift_reference,chem_shift_ref,4735,205640,1,,,,,,, chem_shift_reference,chemical_shift_reference,4736,205653,1,,,,,,, chem_shift_reference,chemical_shift_reference,4737,205687,1,,,,,,, chem_shift_reference,chemical_shift_reference,4739,205731,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,474,205745,1,,,,,,, chem_shift_reference,chemical_shift_reference,4740,205770,1,,,,,,, chem_shift_reference,chemical_shift_reference,4741,205798,1,,,,,,, chem_shift_reference,chemical_shift_reference,4742,205834,1,,,,,,, chem_shift_reference,chemical_shift_reference,4743,205861,1,,,,,,, chem_shift_reference,chemical_shift_reference,4744,205882,1,,,,,,, chem_shift_reference,chemical_shift_reference,4745,205900,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4746,205929,1,,,,,,,"Internal TSP referenced to external TSP (in a co-axial capillary) because of susceptibility effects in the sample. All reported chemical shifts are relative to external TSP." chem_shift_reference,chemical_shift_reference_GGXGG,4747,205966,1,,,,,,, chem_shift_reference,chemical_shift_reference,4748,206018,1,,,,,,, chem_shift_reference,chemical_shift_reference,4749,206038,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,475,206054,1,,,,,,, chem_shift_reference,chemical_shift_reference,4750,206073,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,4751,206088,1,,,,,,, chem_shift_reference,chemical_shift_reference,4752,206124,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4753,206152,1,,,,,,,"Internal TSP referenced to external TSP (in a co-axial capillary) because of susceptibility effects in the sample. All reported chemical shifts are relative to external TSP." chem_shift_reference,chemical_shift_reference,4754,206174,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4755,206190,1,,,,,,, chem_shift_reference,chemical_shift_reference,4757,206221,1,,,,,,, chem_shift_reference,chemical_shift_reference,4758,206236,1,,,,,,, chem_shift_reference,chemical_shift_reference,4759,206259,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,476,206272,1,,,,,,, chem_shift_reference,chemical_shift_reference,4760,206291,1,,,,,,, chem_shift_reference,chem_shift_ref,4761,206306,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4762,206324,1,,,,,,, chem_shift_reference,chemical_shift_reference,4763,206345,1,,,,,,, chem_shift_reference,chemical_shift_reference,4765,206366,1,,,,,,, chem_shift_reference,chemical_shift_reference,4766,206391,1,,,,,,, chem_shift_reference,chemical_shift_reference,4767,206410,1,,,,,,, chem_shift_reference,chemical_shift_reference,4768,206426,1,,,,,,, chem_shift_reference,chemical_shift_reference,4769,206443,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,477,206456,1,,,,,,, chem_shift_reference,chemical_shift_reference,4770,206475,1,,,,,,, chem_shift_reference,csr,4771,206490,1,,,,,,, chem_shift_reference,chemical_shift_reference,4772,206512,1,,,,,,, chem_shift_reference,chemical_shift_reference,4773,206529,1,,,,,,, chem_shift_reference,chemical_shift_reference,4774,206553,1,,,,,,, chem_shift_reference,chemical_shift_ref,4775,206578,1,,,,,,, chem_shift_reference,chemical_shift_reference,4777,206614,1,,,,,,, chem_shift_reference,chemical_shift_reference,4778,206633,1,,,,,,, chem_shift_reference,chemical_shift_reference,4779,206656,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,478,206669,1,,,,,,, chem_shift_reference,chemical_shift_reference,4780,206697,1,,,,,,, chem_shift_reference,chemical_shift_reference,4781,206720,1,,,,,,, chem_shift_reference,chemical_shift_reference,4782,206750,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4784,206764,1,,,,,,, chem_shift_reference,chemical_shift_reference,4785,206781,1,,,,,,, chem_shift_reference,chemical_shift_reference,4786,206801,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4787,206832,1,,,,,,, chem_shift_reference,chemical_shift_reference,4788,206863,1,,,,,,, chem_shift_reference,chemical_shift_reference,4789,206898,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,479,206911,1,,,,,,, chem_shift_reference,chemical_shift_reference,4790,206926,1,,,,,,, chem_shift_reference,chemical_shift_reference,4791,206951,1,,,,,,, chem_shift_reference,chemical_shift_reference,4792,206977,1,,,,,,, chem_shift_reference,chemical_shift_reference,4793,207006,1,,,,,,, chem_shift_reference,chemical_shift_reference,4794,207025,1,,,,,,, chem_shift_reference,chemical_shift_reference,4795,207044,1,,,,,,, chem_shift_reference,chemical_shift_reference,4796,207075,1,,,,,,, chem_shift_reference,chemical_shift_reference,4797,207091,1,,,,,,, chem_shift_reference,chemical_shift_reference,4798,207111,1,,,,,,, chem_shift_reference,chemical_shift_reference,4799,207128,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,48,207141,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,480,207154,1,,,,,,, chem_shift_reference,chemical_shift_reference,4800,207176,1,,,,,,, chem_shift_reference,chemical_shift_reference,4801,207197,1,,,,,,, chem_shift_reference,chemical_shift_reference,4802,207224,1,,,,,,, chem_shift_reference,chemical_shift_reference,4803,207246,1,,,,,,, chem_shift_reference,chemical_shift_reference,4804,207268,1,,,,,,, chem_shift_reference,chemical_shift_reference,4805,207293,1,,,,,,, chem_shift_reference,chemical_shift_reference,4806,207315,1,,,,,,, chem_shift_reference,chemical_shift_reference,4807,207337,1,,,,,,, chem_shift_reference,chemical_shift_reference,4808,207362,1,,,,,,, chem_shift_reference,chemical_shift_reference,4809,207387,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,481,207400,1,,,,,,, chem_shift_reference,chemical_shift_reference,4810,207425,1,,,,,,, chem_shift_reference,chemical_shift_reference,4811,207440,1,,,,,,,"The chemical shift of water at 20C has previously been determined with respect to dioxane at 3.743ppm. 15N chemical shifts were referenced using the method of Live et al." chem_shift_reference,chemical_shift_reference,4812,207456,1,,,,,,,chemical shift reference is 4.65ppm for water at 40 degree C chem_shift_reference,chemical_shift_reference,4813,207475,1,,,,,,, chem_shift_reference,chemical_shift_reference,4814,207492,1,,,,,,, chem_shift_reference,chemical_shift_reference,4815,207511,1,,,,,,, chem_shift_reference,chemical_shift_reference,4816,207537,1,,,,,,, chem_shift_reference,chemical_shift_reference,4817,207563,1,,,,,,, chem_shift_reference,chemical_shift_reference,4818,207577,1,,,,,,, chem_shift_reference,chemical_shift_reference,4819,207590,1,,,,,,, chem_shift_reference,chemical_shift_reference,4820,207613,1,,,,,,, chem_shift_reference,chemical_shift_reference,4821,207638,1,,,,,,, chem_shift_reference,chemical_shift_reference,4825,207703,1,,,,,,, chem_shift_reference,chemical_shift_reference,4827,207721,1,,,,,,, chem_shift_reference,chemical_shift_reference,4828,207739,1,,,,,,, chem_shift_reference,chemical_shift_reference,4829,207767,1,,,,,,, chem_shift_reference,chemical_shift_reference,4830,207782,1,,,,,,, chem_shift_reference,chemical_shift_reference,4831,207802,1,,,,,,, chem_shift_reference,chemical_shift_reference,4832,207820,1,,,,,,, chem_shift_reference,chemical_shift_reference,4833,207851,1,,,,,,, chem_shift_reference,chemical_shift_reference,4834,207877,1,,,,,,, chem_shift_reference,chemical_shift_reference,4835,207894,1,,,,,,, chem_shift_reference,chemical_shift_reference,4836,207920,1,,,,,,, chem_shift_reference,chemical_shift_reference,4837,207941,1,,,,,,, chem_shift_reference,chemical_shift_reference,4838,207957,1,,,,,,, chem_shift_reference,chemical_shift_reference,4839,207991,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4840,208007,1,,,,,,, chem_shift_reference,chemical_shift_reference,4841,208031,1,,,,,,, chem_shift_reference,chemical_shift_reference,4842,208049,1,,,,,,, chem_shift_reference,chemical_shift_reference,4843,208063,1,,,,,,, chem_shift_reference,chemical_shift_reference,4844,208084,1,,,,,,, chem_shift_reference,chemical_shift_reference,4845,208100,1,,,,,,, chem_shift_reference,chemical_shift_reference,4846,208115,1,,,,,,, chem_shift_reference,chemical_shift_reference,4847,208130,1,,,,,,, chem_shift_reference,chemical_shift_reference,4848,208145,1,,,,,,, chem_shift_reference,chemical_shift_reference,4849,208158,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,485,208171,1,,,,,,, chem_shift_reference,chemical_shift_reference,4850,208189,1,,,,,,, chem_shift_reference,chemical_shift_reference,4851,208216,1,,,,,,, chem_shift_reference,chemical_shift_reference,4852,208236,1,,,,,,, chem_shift_reference,chemical_shift_reference,4853,208257,1,,,,,,, chem_shift_reference,chemical_shift_reference,4854,208279,1,,,,,,, chem_shift_reference,chemical_shift_reference,4855,208306,1,,,,,,, chem_shift_reference,chemical_shift_reference,4856,208325,1,,,,,,, chem_shift_reference,chemical_shift_reference,4857,208342,1,,,,,,, chem_shift_reference,chemical_shift_reference,4858,208361,1,,,,,,, chem_shift_reference,chemical_shift_reference,4859,208383,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,486,208396,1,,,,,,, chem_shift_reference,chemical_shift_reference,4860,208419,1,,,,,,, chem_shift_reference,chemical_shift_reference,4862,208438,1,,,,,,, chem_shift_reference,chemical_shift_reference,4863,208457,1,,,,,,, chem_shift_reference,chemical_shift_reference,4864,208470,1,,,,,,, chem_shift_reference,chemical_shift_reference,4865,208487,1,,,,,,, chem_shift_reference,chemical_shift_reference,4866,208507,1,,,,,,, chem_shift_reference,chemical_shift_reference,4867,208528,1,,,,,,, chem_shift_reference,chemical_shift_reference,4868,208552,1,,,,,,, chem_shift_reference,chemical_shift_reference,4869,208576,1,,,,,,, chem_shift_reference,chemical_shift_reference,4870,208607,1,,,,,,, chem_shift_reference,chemical_shift_reference,4871,208634,1,,,,,,, chem_shift_reference,chemical_shift_reference,4872,208654,1,,,,,,, chem_shift_reference,chemical_shift_reference,4873,208689,1,,,,,,,"15N Chemical shifts are referenced to external 15NH4Cl (2.9 M in 1 M HCl) at 20 C, 24.93 ppm relative to NH3 (Levy and Lichter (1979) Nitrogen-15 nuclear magnetic resonance spectroscopy. John Wiley & Sons, New York)." chem_shift_reference,chemical_shift_reference,4874,208706,1,,,,,,, chem_shift_reference,chemical_shift_reference,4875,208728,1,,,,,,, chem_shift_reference,chemical_shift_reference,4876,208743,1,,,,,,, chem_shift_reference,chemical_shift_reference,4877,208764,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,4878,208786,1,,,,,,, chem_shift_reference,chemical_shift_reference,4879,208817,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,488,208830,1,,,,,,, chem_shift_reference,chemical_shift_reference,4880,208856,1,,,,,,, chem_shift_reference,chemical_shift_reference,4881,208884,1,,,,,,,"1H chemical shifts were referenced using internal TSP as a standard and pH-corrected values are reported here in ppm relative to DSS" chem_shift_reference,chemical_shift_reference,4882,208900,1,,,,,,, chem_shift_reference,chemical_shift_reference,4883,208913,1,,,,,,, chem_shift_reference,chemical_shift_reference,4884,208942,1,,,,,,, chem_shift_reference,chemical_shift_reference,4885,208964,1,,,,,,, chem_shift_reference,chemical_shift_reference,4886,208987,1,,,,,,,"1H chemical shifts were referenced using internal TSP as a standard and pH-corrected values are reported here in ppm relative to DSS TSP is the internal chemical shift reference since this compound was present in the sample. However, the values reported are in ppm relative to DSS. The referencing for entry 4886 is similar to that for entry 4881." chem_shift_reference,chemical_shift_reference,4887,209003,1,,,,,,, chem_shift_reference,chemical_shift_reference,4888,209017,1,,,,,,, chem_shift_reference,chemical_shift_reference,4889,209035,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,489,209048,1,,,,,,, chem_shift_reference,chemical_shift_reference,4890,209069,1,,,,,,, chem_shift_reference,chemical_shift_reference,4891,209086,1,,,,,,, chem_shift_reference,chemical_shift_reference,4892,209110,1,,,,,,, chem_shift_reference,chemical_shift_reference,4893,209125,1,,,,,,, chem_shift_reference,chemical_shift_reference,4894,209139,1,,,,,,, chem_shift_reference,chemical_shift_reference,4895,209160,1,,,,,,, chem_shift_reference,chemical_shift_reference,4896,209189,1,,,,,,, chem_shift_reference,chemical_shift_reference,4897,209212,1,,,,,,, chem_shift_reference,chemical_shift_reference,4898,209248,1,,,,,,, chem_shift_reference,chemical_shift_reference,4899,209273,1,,,,,,,"Wishart, et al. (1995), J Biol NMR, 6, 135-140" chem_shift_reference,chem_shift_reference_par_set_one,49,209286,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,490,209299,1,,,,,,, chem_shift_reference,chemical_shift_reference,4900,209315,1,,,,,,, chem_shift_reference,chemical_shift_reference,4901,209347,1,,,,,,, chem_shift_reference,chemical_shift_reference,4902,209377,1,,,,,,, chem_shift_reference,chemical_shift_reference,4905,209401,1,,,,,,, chem_shift_reference,chemical_shift_reference,4906,209433,1,,,,,,, chem_shift_reference,chemical_shift_reference,4907,209451,1,,,,,,, chem_shift_reference,chemical_shift_reference,4908,209478,1,,,,,,, chem_shift_reference,chemical_shift_reference,4909,209499,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,491,209512,1,,,,,,, chem_shift_reference,chemical_shift_reference,4910,209529,1,,,,,,, chem_shift_reference,chemical_shift_reference,4911,209558,1,,,,,,, chem_shift_reference,chemical_shift_reference,4912,209581,1,,,,,,, chem_shift_reference,chemical_shift_reference,4913,209594,1,,,,,,, chem_shift_reference,chemical_shift_reference,4914,209613,1,,,,,,, chem_shift_reference,chemical_shift_reference,4915,209634,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4916,209656,1,,,,,,, chem_shift_reference,chemical_shift_reference,4917,209678,1,,,,,,, chem_shift_reference,chemical_shift_reference,4918,209705,1,,,,,,, chem_shift_reference,chemical_shift_reference,4919,209729,1,,,,,,, chem_shift_reference,chemical_shift_reference,4920,209752,1,,,,,,, chem_shift_reference,chemical_shift_reference,4921,209781,1,,,,,,, chem_shift_reference,chemical_shift_reference,4922,209807,1,,,,,,, chem_shift_reference,chemical_shift_reference,4923,209821,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4924,209835,1,,,,,,, chem_shift_reference,chemical_shift_reference,4925,209857,1,,,,,,, chem_shift_reference,chemical_shift_reference,4926,209871,1,,,,,,, chem_shift_reference,chemical_shift_reference,4994,211534,1,,,,,,, chem_shift_reference,chemical_shift_reference,4995,211577,1,,,,,,, chem_shift_reference,chemical_shift_reference,4996,211596,1,,,,,,, chem_shift_reference,chemical_shift_reference,4927,209900,1,,,,,,,"1H is referenced directly by assigning to the detected H2O signal (at 300K) a value of 4.754 ppm. 13C and 15N shifts are referenced indirectly to 1H. The errors in the chemical shift of a particular atom are upper limit estimates from the spectral resolution in the spectrum where the corresponding signal was assigned." chem_shift_reference,chemical_shift_reference,4928,209925,1,,,,,,, chem_shift_reference,chemical_shift_reference,4929,209954,1,,,,,,, chem_shift_reference,chemical_shift_reference,4930,209971,1,,,,,,, chem_shift_reference,chemical_shift_reference,4931,209992,1,,,,,,, chem_shift_reference,chemical_shift_reference,4932,210009,1,,,,,,, chem_shift_reference,chemical_shift_reference,4933,210035,1,,,,,,, chem_shift_reference,chemical_shift_reference,4934,210059,1,,,,,,, chem_shift_reference,chemical_shift_reference,4935,210088,1,,,,,,, chem_shift_reference,chemical_shift_reference,4936,210107,1,,,,,,, chem_shift_reference,chemical_shift_reference,4937,210124,1,,,,,,, chem_shift_reference,chemical_shift_reference,4938,210138,1,,,,,,, chem_shift_reference,chemical_shift_reference,4939,210163,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,494,210176,1,,,,,,, chem_shift_reference,chemical_shift_reference,4940,210194,1,,,,,,, chem_shift_reference,chemical_shift_reference,4941,210220,1,,,,,,, chem_shift_reference,chemical_shift_reference,4942,210235,1,,,,,,, chem_shift_reference,chemical_shift_reference,4943,210256,1,,,,,,, chem_shift_reference,chemical_shift_reference,4944,210287,1,,,,,,, chem_shift_reference,chemical_shift_reference,4945,210310,1,,,,,,, chem_shift_reference,chemical_shift_reference,4946,210326,1,,,,,,,"Chemical shifts are expressed relative to DSS and measured with respect to the water resonance that has a chemical shift of 4.71ppm at 303K and pH5.0." chem_shift_reference,chemical_shift_reference,4947,210344,1,,,,,,,"Chemical shifts are expressed relative to DSS and measured with respect to the water resonance that has a chemical shift of 4.71ppm at 303K and pH5.0." chem_shift_reference,chemical_shift_ref_1,4948,210363,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,495,210377,1,,,,,,, chem_shift_reference,chemical_shift_reference,4950,210398,1,,,,,,, chem_shift_reference,chemical_shift_reference,4951,210421,1,,,,,,, chem_shift_reference,chemical_shift_reference,4952,210434,1,,,,,,, chem_shift_reference,chemical_shift_reference,4953,210466,1,,,,,,, chem_shift_reference,chemical_shift_reference,4954,210486,1,,,,,,, chem_shift_reference,chemical_shift_reference,4955,210502,1,,,,,,, chem_shift_reference,chem_shift_reference,4956,210517,1,,,,,,, chem_shift_reference,chemical_shift_reference,4957,210532,1,,,,,,, chem_shift_reference,chemical_shift_reference,4958,210558,1,,,,,,, chem_shift_reference,chemical_shift_reference,4959,210593,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.713ppm at 303K), and then those of 15N and 13C were calculated based on their gyromagnetic ratios. In the case of 15N, correction value (+1.731ppm) was added to the calculated chemical shift values." chem_shift_reference,chem_shift_reference_par_set_one,496,210606,1,,,,,,, chem_shift_reference,chemical_shift_reference,4960,210625,1,,,,,,,"The chemical shift are nominally reported versus TSP. The internal water peak was used to set the reference scale and was assigned a value of 4.484 ppm at 323K. The meso peak at 9.00 ppm is largely temeperature independent." chem_shift_reference,chemical_shift_reference,4961,210655,1,,,,,,, chem_shift_reference,chemical_shift_reference,4963,210700,1,,,,,,, chem_shift_reference,chemical_shift_reference,4964,210734,1,,,,,,, chem_shift_reference,chemical_shift_reference,4965,210769,1,,,,,,, chem_shift_reference,chemical_shift_reference,4966,210786,1,,,,,,, chem_shift_reference,chemical_shift_reference,4967,210805,1,,,,,,, chem_shift_reference,chemical_shift_reference,4968,210819,1,,,,,,, chem_shift_reference,chemical_shift_reference,4969,210834,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,497,210847,1,,,,,,, chem_shift_reference,chemical_shift_reference,4971,210961,1,,,,,,, chem_shift_reference,chemical_shift_reference,4972,210985,1,,,,,,, chem_shift_reference,chemical_shift_reference,4973,211007,1,,,,,,, chem_shift_reference,chemical_shift_reference,4974,211021,1,,,,,,, chem_shift_reference,chemical_shift_reference,4975,211039,1,,,,,,, chem_shift_reference,chemical_shift_reference,4976,211062,1,,,,,,, chem_shift_reference,chemical_shift_reference,4977,211085,1,,,,,,, chem_shift_reference,chemical_shift_reference,4978,211123,1,,,,,,, chem_shift_reference,chemical_shift_reference,4979,211145,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,498,211160,1,,,,,,, chem_shift_reference,chemical_shift_reference,4980,211184,1,,,,,,, chem_shift_reference,chemical_shift_reference,4981,211210,1,,,,,,, chem_shift_reference,chemical_shift_reference,4982,211243,1,,,,,,, chem_shift_reference,chemical_shift_reference,4983,211270,1,,,,,,, chem_shift_reference,chemical_shift_reference,4984,211286,1,,,,,,, chem_shift_reference,chemical_shift_reference,4985,211318,1,,,,,,, chem_shift_reference,chemical_shift_reference,4986,211338,1,,,,,,, chem_shift_reference,chemical_shift_reference,4987,211373,1,,,,,,, chem_shift_reference,chemical_shift_reference,4988,211392,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,4989,211409,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,499,211425,1,,,,,,, chem_shift_reference,chemical_shift_reference,4990,211440,1,,,,,,, chem_shift_reference,chemical_shift_reference,4991,211453,1,,,,,,, chem_shift_reference,chemical_shift_reference,4992,211482,1,,,,,,, chem_shift_reference,chemical_shift_reference,4993,211505,1,,,,,,, chem_shift_reference,chemical_shift_reference,4997,211616,1,,,,,,, chem_shift_reference,chemical_shift_reference,4998,211640,1,,,,,,, chem_shift_reference,chemical_shift_reference,4999,211665,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,5,211676,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,50,211689,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,500,211705,1,,,,,,, chem_shift_reference,chemical_shift_reference,5000,211727,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50000,211745,1,,,,,,,external DSS chem_shift_reference,chem_shift_reference_1,50001,211770,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50003,211789,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50004,211802,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50007,211819,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50008,211833,1,,,,,,,stardard chem_shift_reference,chem_shift_reference_1,50009,211851,1,,,,,,,"Proton chemical shifts were referenced to the water line at 4.53 ppm at 320 K, from which the nitrogen and carbon scales were derived indirectly by using the conversion factors of 0.10132900 (15N) and 0.25144954 (13C)." chem_shift_reference,chem_shift_reference_1,50010,211867,1,,,,,,,Empirical CS values of water at a given temperature as compared to DSS chem_shift_reference,chem_shift_reference_1,50011,211882,1,,,,,,,Values for reference found experimentally by measure the CS of water at given temperatures. chem_shift_reference,chem_shift_reference_1,50014,211926,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50017,211944,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50019,211960,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50021,211992,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50022,212005,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50023,212018,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50024,212031,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50025,212046,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50026,212060,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50027,212073,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50028,212088,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50030,212106,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50031,212119,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50032,212132,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50033,212145,1,,,,,,, chem_shift_reference,chemical_shift_reference,5004,212159,1,,,,,,, chem_shift_reference,chemical_shift_reference,5005,212182,1,,,,,,, chem_shift_reference,chemical_shift_reference,5006,212197,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5007,212223,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50074,212236,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50075,212256,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50077,212269,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50078,212282,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50079,212295,1,,,,,,, chem_shift_reference,chemical_shift_reference,5008,212315,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50084,212328,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50085,212341,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50088,212357,1,,,,,,, chem_shift_reference,chemical_shift_reference,5009,212381,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50090,212396,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50093,212414,1,,,,,,,"We reported only the HN, CA, Cb and N" chem_shift_reference,chem_shift_reference_1,50095,212430,1,,,,,,,external DSS referencing chem_shift_reference,chem_shift_reference_1,50096,212446,1,,,,,,,DSS external referencing chem_shift_reference,chem_shift_reference_1,50097,212461,1,,,,,,,DSS external referencing chem_shift_reference,chem_shift_reference_1,50098,212474,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50099,212487,1,,,,,,, chem_shift_reference,chemical_shift_reference,5010,212525,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50100,212538,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50101,212551,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50102,212564,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50103,212577,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50104,212592,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50105,212605,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50106,212620,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50107,212636,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50108,212654,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50109,212667,1,,,,,,,standard chem_shift_reference,chemical_shift_reference,5011,212690,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50110,212707,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50113,212721,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50114,212738,1,,,,,,,"All spectra were calibrated in CARA software by the ""correction value"" in ppm." chem_shift_reference,chem_shift_reference_1,50115,212752,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50118,212773,1,,,,,,,The appllied correction value (in ppm) was used to calibrate the spectra in CARA software. chem_shift_reference,chem_shift_reference_1,50119,212789,1,EB1linker-wt,,,,,, chem_shift_reference,chemical_shift_reference,5012,212806,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50120,212822,1,EB1linker-4D,,,,,, chem_shift_reference,chem_shift_reference_1,50121,212838,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50122,212852,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50123,212865,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50125,212879,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50126,212895,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50127,212909,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50128,212946,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50129,212971,1,,,,,,, chem_shift_reference,chemical_shift_reference,5013,212991,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50130,213004,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50131,213017,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50132,213030,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50133,213043,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50134,213056,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50135,213069,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50138,213085,1,Backbone Assignment,,,,,, chem_shift_reference,chem_shift_reference_1,50139,213099,1,,,,,,, chem_shift_reference,chemical_shift_reference,5014,213129,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50141,213143,1,DSS chemical shift reference,,,,,, chem_shift_reference,chem_shift_reference_1,50142,213156,1,NB-SUMO1reference,,,,,, chem_shift_reference,chem_shift_reference_1_ref1,50152,213174,1,ref1,,,,,, chem_shift_reference,chem_shift_reference_1_1,50153,213187,1,1,,,,,, chem_shift_reference,chem_shift_reference_1,50158,213206,1,chemical_shifts,,,,,, chem_shift_reference,chem_shift_reference_1_H2O,50159,213219,1,H2O,,,,,, chem_shift_reference,chem_shift_reference_1_1H__13C__15N,50160,213234,1,"1H, 13C, 15N",,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50161,213247,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_hyen_L,50162,213260,1,hyen L,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50163,213273,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50164,213286,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50165,213299,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_chemical_shift_references,50166,213325,1,chemical shift references,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50172,213349,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50173,213366,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50174,213381,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50175,213396,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50176,213411,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50177,213426,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50178,213441,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50179,213456,1,DSS,,,,,, chem_shift_reference,chemical_shift_reference,5018,213475,1,,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50180,213490,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50181,213505,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50182,213520,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_DSS,50183,213535,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1_A5,50185,213548,1,A5,,,,,, chem_shift_reference,chem_shift_reference_1,50186,213561,1,star_file,,,,,, chem_shift_reference,chem_shift_reference_1,50187,213577,1,R1Zf1wt,,,,,, chem_shift_reference,chemical_shift_reference,5019,213600,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50191,213616,1,R1Zf1C191G,,,,,, chem_shift_reference,chem_shift_reference_1,50192,213629,1,MLF,,,,,, chem_shift_reference,chem_shift_reference_1,50196,213642,1,Set 1,,,,,, chem_shift_reference,chem_shift_reference_1,50198,213657,1,VAMP2(1-96),,,,,, chem_shift_reference,chem_shift_reference_1,50199,213671,1,VAMP2(1-96),,,,,, chem_shift_reference,chemical_shift_reference,5020,213689,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50202,213715,1,Teixobactin-Lipid2,,,,,, chem_shift_reference,chem_shift_reference_1,50203,213731,1,15N-Acetyl-Glycine,,,,,, chem_shift_reference,chem_shift_reference_1,50204,213744,1,water,,,,,, chem_shift_reference,chem_shift_reference_1,50205,213763,1,FH8_IDR_HP63,,,,,, chem_shift_reference,chem_shift_reference_1,50206,213782,1,Referenced vs. water,,,,,, chem_shift_reference,chem_shift_reference_1,50207,213798,1,chem_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50208,213813,1,chem_shift_reference_1,,,,,, chem_shift_reference,chemical_shift_ref_1,5021,213831,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50211,213845,1,1,,,,,, chem_shift_reference,chem_shift_reference_1,50212,213866,1,RefSet1,,,,,, chem_shift_reference,chem_shift_reference_1,50213,213888,1,ChemShiftRef,,,,,, chem_shift_reference,chem_shift_reference_1,50214,213904,1,H,,,,,, chem_shift_reference,chem_shift_reference_1,50215,213922,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50216,213937,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50218,213951,1,UvrD_CTD,,,,,, chem_shift_reference,chem_shift_reference_1,50219,213965,1,IUPAC,,,,,, chem_shift_reference,chemical_shift_reference,5022,213988,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50220,214006,1,chemical shift reference 1,,,,,, chem_shift_reference,chem_shift_reference_1,50221,214021,1,chemical shift reference 1,,,,,, chem_shift_reference,chem_shift_reference_1,50228,214039,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50229,214056,1,DSS,,,,,, chem_shift_reference,chemical_shift_reference,5023,214073,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50353,215401,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50231,214087,1,BRCA1 219-504,,,,,, chem_shift_reference,chem_shift_reference_1,50238,214108,1,chemical shift reference 1,,,,,, chem_shift_reference,chemical_shift_ref_1,5024,214130,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50241,214147,1,Water,,,,,, chem_shift_reference,chem_shift_reference_1,50242,214162,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50243,214187,1,chemical shift reference 1,,,,,, chem_shift_reference,chem_shift_reference_1,50244,214204,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50245,214218,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50246,214233,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50247,214248,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50248,214262,1,TSP,,,,,, chem_shift_reference,chem_shift_reference_1,50249,214276,1,TSP,,,,,, chem_shift_reference,chemical_shift_ref_1,5025,214301,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50250,214332,1,chemical_shift_reference_1,,,,,, chem_shift_reference,chem_shift_reference_1,50253,214346,1,water,,,,,, chem_shift_reference,chem_shift_reference_1,50254,214364,1,reference 1,,,,,, chem_shift_reference,chem_shift_reference_1,50255,214378,1,reference 1,,,,,, chem_shift_reference,chem_shift_reference_1,50257,214393,1,reference 1,,,,,, chem_shift_reference,chemical_shift_reference,5026,214414,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50260,214433,1,water proton,,,,,, chem_shift_reference,chem_shift_reference_1,50261,214448,1,Water,,,,,, chem_shift_reference,chem_shift_reference_1,50262,214464,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50263,214478,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50264,214492,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50265,214507,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50267,214526,1,water proton,,,,,, chem_shift_reference,chem_shift_reference_1,50268,214550,1,1,,,,,,The DMSO protons is set as 2.5 ppm. chem_shift_reference,chemical_shift_reference,5027,214581,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50273,214598,1,CRES_liquid_state_chemical_shifts,,,,,, chem_shift_reference,chem_shift_reference_1,50274,214615,1,Orb2 referenced with DSS according to IUPAC norms,,,,,, chem_shift_reference,chem_shift_reference_1,50275,214631,1,Solid State CRES assignments reference,,,,,, chem_shift_reference,chem_shift_reference_1,50276,214645,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50277,214661,1,internal DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50278,214679,1,DSS,,,,,, chem_shift_reference,chemical_shift_ref_1,5028,214698,1,,,,,,, chem_shift_reference,chemical_shift_reference,5029,214712,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50298,214746,1,pBAF,,,,,, chem_shift_reference,chem_shift_reference_1,50299,214763,1,SPF45inhibitor,,,,,, chem_shift_reference,chemical_shift_reference,5030,214784,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50300,214800,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50301,214813,1,reference,,,,,, chem_shift_reference,chem_shift_reference_1,50302,214829,1,IUPAC referenced,,,,,, chem_shift_reference,chem_shift_reference_1,50308,214845,1,Internal DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50309,214858,1,1,,,,,, chem_shift_reference,chemical_shift_reference,5031,214882,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50315,214895,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50316,214908,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50317,214921,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50318,214934,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50319,214947,1,DSS,,,,,, chem_shift_reference,chemical_shift_reference,5032,214968,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50320,214981,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50321,214994,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50322,215007,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50323,215020,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50329,215036,1,DSS,,,,,, chem_shift_reference,chemical_shift_ref_1,5033,215053,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50334,215108,1,Reference_Set_1,,,,,, chem_shift_reference,chem_shift_reference_1,50335,215125,1,sample_1,,,,,, chem_shift_reference,chem_shift_reference_1,50336,215141,1,yarp_2149,,,,,, chem_shift_reference,chem_shift_reference_1,50339,215157,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chemical_shift_reference,5034,215174,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50340,215192,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50341,215207,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50342,215226,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50343,215247,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50344,215263,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50346,215278,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50347,215296,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50348,215315,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50349,215336,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50350,215351,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50351,215370,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50352,215386,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chemical_shift_ref_1,5036,215424,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50369,215442,1,AK3 apo,,,,,, chem_shift_reference,chemical_shift_reference,5037,215459,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50371,215474,1,na,,,,,, chem_shift_reference,chemical_shift_reference,5038,215489,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50385,215504,1,IUPAC,,,,,, chem_shift_reference,chem_shift_reference_1,50386,215522,1,"1H, 13C, 15N backbone; 1H 13C ILV",,,,,, chem_shift_reference,chem_shift_reference_1,50387,215538,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50388,215555,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50389,215569,1,Rec3 Chemical Shift Referencing,,,,,, chem_shift_reference,chemical_shift_reference,5039,215582,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50392,215604,1,Chemical shift reference DSS,,,,,, chem_shift_reference,chemical_shift_reference,5040,215625,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50405,215646,1,chemical shift reference,,,,,, chem_shift_reference,chem_shift_reference_1,50407,215661,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50408,215675,1,DSS,,,,,, chem_shift_reference,chem_shift_reference_1,50409,215689,1,DSS,,,,,, chem_shift_reference,chemical_shift_reference,5041,215711,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50412,215731,1,peaklist_1,,,,,, chem_shift_reference,chem_shift_reference_2,50412,215732,2,peak_list_2,,,,,, chem_shift_reference,chem_shift_reference_1,50414,215749,1,chem_shift_reference_1,,,,,, chem_shift_reference,chemical_shift_reference,5042,215763,1,,,,,,, chem_shift_reference,chemical_shift_reference,5043,215781,1,,,,,,, chem_shift_reference,chemical_shift_reference,5044,215809,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50454,215834,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50455,215857,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50456,215879,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50457,215901,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50458,215923,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50459,215944,1,chemical_shift_reference,,,,,, chem_shift_reference,chemical_shift_ref_1,5046,215969,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50460,215986,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50461,216006,1,chemical_shift_reference,,,,,, chem_shift_reference,chem_shift_reference_1,50463,216027,1,L-Phenylseptin Chemichal Shift,,,,,, chem_shift_reference,chemical_shift_reference,5047,216046,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50478,216061,1,GHRICDmp_shiftlist,,,,,, chem_shift_reference,chemical_shift_reference,5048,216084,1,,,,,,, chem_shift_reference,chemical_shift_reference,5049,216099,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,505,216113,1,,,,,,, chem_shift_reference,chemical_shift_reference,5050,216130,1,,,,,,, chem_shift_reference,chem_shift_reference_1,50509,216145,1,1,,,,,, chem_shift_reference,chemical_shift_reference,5051,216173,1,,,,,,, chem_shift_reference,chemical_shift_reference,5052,216187,1,,,,,,, chem_shift_reference,chemical_shift_reference,5053,216213,1,,,,,,, chem_shift_reference,chemical_shift_reference,5054,216247,1,,,,,,, chem_shift_reference,chemical_shift_reference,5055,216276,1,,,,,,, chem_shift_reference,csref,5056,216293,1,,,,,,, chem_shift_reference,chemical_shift_reference,5057,216309,1,,,,,,, chem_shift_reference,chemical_shift_reference,5058,216333,1,,,,,,, chem_shift_reference,chemical_shift_reference,5059,216358,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,506,216372,1,,,,,,, chem_shift_reference,chemical_shift_reference,5060,216401,1,,,,,,, chem_shift_reference,chemical_shift_reference,5061,216415,1,,,,,,, chem_shift_reference,chemical_shift_reference,5062,216445,1,,,,,,, chem_shift_reference,chemical_shift_reference,5064,216470,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5065,216503,1,,,,,,, chem_shift_reference,chemical_shift_reference,5066,216525,1,,,,,,, chem_shift_reference,chemical_shift_reference,5067,216544,1,,,,,,, chem_shift_reference,chemical_shift_reference,5068,216564,1,,,,,,, chem_shift_reference,chemical_shift_reference,5069,216584,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,507,216597,1,,,,,,, chem_shift_reference,chemical_shift_reference,5070,216624,1,,,,,,, chem_shift_reference,chemical_shift_reference,5071,216654,1,,,,,,, chem_shift_reference,chemical_shift_reference,5072,216677,1,,,,,,, chem_shift_reference,chemical_shift_reference,5073,216692,1,,,,,,, chem_shift_reference,chemical_shift_reference,5074,216709,1,,,,,,, chem_shift_reference,chemical_shift_reference,5075,216727,1,,,,,,, chem_shift_reference,chemical_shift_reference,5076,216745,1,,,,,,, chem_shift_reference,chemical_shift_reference,5077,216793,1,,,,,,, chem_shift_reference,chemical_shift_reference,5078,216814,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,508,216858,1,,,,,,, chem_shift_reference,chemical_shift_reference,5081,216907,1,,,,,,, chem_shift_reference,chemical_shift_reference,5082,216922,1,,,,,,, chem_shift_reference,chemical_shift_reference,5083,216940,1,,,,,,, chem_shift_reference,chemical_shift_reference,5084,216965,1,,,,,,, chem_shift_reference,chemical_shift_reference,5085,216995,1,,,,,,, chem_shift_reference,chemical_shift_reference,5086,217016,1,,,,,,, chem_shift_reference,chemical_shift_reference,5087,217035,1,,,,,,, chem_shift_reference,chemical_shift_reference,5088,217053,1,,,,,,, chem_shift_reference,chemical_shift_reference,5089,217072,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,509,217086,1,,,,,,, chem_shift_reference,chemical_shift_reference,5090,217099,1,,,,,,,"Chemical shift assignment were made based on TROSY experiments performed with a deuterated sample. Isotopic efect were corrected with a factor of +0.23 ppm in case of 15N (Gardner et al., 1996) and according to the number of deuterons one and two bond away from the 13Ca and 13Cb nucleus (Venters et al., 1996). TROSY effect were corrected based on a JHN of 93 Hz. The chemical shifts 620-624 correspond to a Ser that has a previous Pro. Instead of Ser150 it could be Ser2 but this last assignment is not provable because Ser2 is in the floppy N-terminus of the protein." chem_shift_reference,chemical_shift_reference,5091,217121,1,,,,,,, chem_shift_reference,chemical_shift_reference,5092,217140,1,,,,,,, chem_shift_reference,chemical_shift_reference,5093,217171,1,,,,,,, chem_shift_reference,chemical_shift_reference,5094,217194,1,,,,,,, chem_shift_reference,chemical_shift_reference,5096,217220,1,,,,,,, chem_shift_reference,chemical_shift_reference,5097,217240,1,,,,,,, chem_shift_reference,chemical_shift_reference,5098,217258,1,,,,,,, chem_shift_reference,chemical_shift_reference,5099,217289,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,510,217303,1,,,,,,, chem_shift_reference,chemical_shift_reference,5100,217336,1,,,,,,, chem_shift_reference,chemical_shift_reference,5101,217360,1,,,,,,, chem_shift_reference,chemical_shift_reference,5102,217381,1,,,,,,, chem_shift_reference,chemical_shift_reference,5103,217402,1,,,,,,, chem_shift_reference,chemical_shift_reference,5104,217416,1,,,,,,, chem_shift_reference,chemical_shift_reference,5105,217430,1,,,,,,, chem_shift_reference,chemical_shift_reference,5106,217453,1,,,,,,, chem_shift_reference,chemical_shift_reference,5107,217479,1,,,,,,, chem_shift_reference,chemical_shift_reference,5108,217498,1,,,,,,, chem_shift_reference,chemical_shift_reference,5109,217517,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,511,217532,1,,,,,,, chem_shift_reference,chemical_shift_reference,5110,217552,1,,,,,,, chem_shift_reference,chemical_shift_reference,5111,217572,1,,,,,,, chem_shift_reference,chemical_shift_reference,5112,217597,1,,,,,,, chem_shift_reference,chemical_shift_reference,5113,217619,1,,,,,,, chem_shift_reference,chemical_shift_reference,5114,217635,1,,,,,,, chem_shift_reference,chemical_shift_reference,5115,217668,1,,,,,,, chem_shift_reference,chemical_shift_reference,5116,217699,1,,,,,,, chem_shift_reference,chemical_shift_reference,5117,217722,1,,,,,,, chem_shift_reference,chemical_shift_reference,5119,217751,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,512,217765,1,,,,,,, chem_shift_reference,chemical_shift_reference,5120,217780,1,,,,,,, chem_shift_reference,chemical_shift_reference,5121,217800,1,,,,,,, chem_shift_reference,chemical_shift_reference,5122,217818,1,,,,,,, chem_shift_reference,chemical_shift_reference,5123,217834,1,,,,,,, chem_shift_reference,chemical_shift_reference,5124,217849,1,,,,,,, chem_shift_reference,chemical_shift_reference,5125,217865,1,,,,,,, chem_shift_reference,chemical_shift_reference,5126,217890,1,,,,,,, chem_shift_reference,chemical_shift_reference,5127,217903,1,,,,,,, chem_shift_reference,chemical_shift_reference,5128,217928,1,,,,,,, chem_shift_reference,chemical_shift_reference,5129,217954,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,513,217968,1,,,,,,, chem_shift_reference,chemical_shift_reference,5130,217981,1,,,,,,, chem_shift_reference,chemical_shift_reference,5131,218013,1,,,,,,, chem_shift_reference,chemical_shift_ref,5132,218030,1,,,,,,, chem_shift_reference,chemical_shift_ref,5133,218045,1,,,,,,, chem_shift_reference,chemical_shift_reference,5134,218068,1,,,,,,, chem_shift_reference,chemical_shift_reference,5135,218092,1,,,,,,, chem_shift_reference,chemical_shift_reference,5136,218112,1,,,,,,, chem_shift_reference,chemical_shift_reference,5137,218131,1,,,,,,, chem_shift_reference,chemical_shift_reference,5138,218150,1,,,,,,, chem_shift_reference,chemical_shift_reference,5139,218169,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,514,218183,1,,,,,,, chem_shift_reference,chemical_shift_reference,5140,218202,1,,,,,,, chem_shift_reference,chemical_shift_reference,5141,218226,1,,,,,,, chem_shift_reference,chemical_shift_reference,5142,218239,1,,,,,,, chem_shift_reference,chemical_shift_reference,5143,218255,1,,,,,,, chem_shift_reference,chemical_shift_reference,5144,218271,1,,,,,,, chem_shift_reference,chemical_shift_reference,5145,218296,1,,,,,,, chem_shift_reference,chemical_shift_reference,5147,218320,1,,,,,,, chem_shift_reference,chemical_shift_reference,5148,218359,1,,,,,,, chem_shift_reference,chemical_shift_reference,5149,218375,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,515,218389,1,,,,,,, chem_shift_reference,chemical_shift_reference,5150,218405,1,,,,,,, chem_shift_reference,chemical_shift_reference,5151,218428,1,,,,,,, chem_shift_reference,chemical_shift_reference,5152,218452,1,,,,,,, chem_shift_reference,chemical_shift_reference,5153,218475,1,,,,,,, chem_shift_reference,chemical_shift_reference,5154,218494,1,,,,,,, chem_shift_reference,chemical_shift_reference,5155,218521,1,,,,,,, chem_shift_reference,chemical_shift_reference,5156,218553,1,,,,,,, chem_shift_reference,chemical_shift_reference,5157,218581,1,,,,,,, chem_shift_reference,chemical_shift_reference,5158,218602,1,,,,,,, chem_shift_reference,chemical_shift_reference,5159,218634,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,516,218647,1,,,,,,, chem_shift_reference,chemical_shift_reference,5160,218664,1,,,,,,, chem_shift_reference,chemical_shift_reference,5161,218685,1,,,,,,, chem_shift_reference,chemical_shift_reference,5162,218698,1,,,,,,, chem_shift_reference,chemical_shift_reference,5163,218716,1,,,,,,, chem_shift_reference,chemical_shift_reference,5164,218734,1,,,,,,, chem_shift_reference,chemical_shift_reference,5165,218754,1,,,,,,, chem_shift_reference,chemical_shift_reference,5166,218778,1,,,,,,, chem_shift_reference,chemical_shift_reference,5167,218800,1,,,,,,, chem_shift_reference,chemical_shift_reference,5169,218820,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,517,218834,1,,,,,,, chem_shift_reference,chemical_shift_reference,5170,218857,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5171,218876,1,,,,,,, chem_shift_reference,chemical_shift_reference,5172,218901,1,,,,,,, chem_shift_reference,chemical_shift_reference,5173,218915,1,,,,,,, chem_shift_reference,chemical_shift_reference,5174,218928,1,,,,,,, chem_shift_reference,chemical_shift_reference,5175,218942,1,,,,,,, chem_shift_reference,chem_shift_ref,5176,218960,1,,,,,,, chem_shift_reference,chemical_shift_reference,5177,218994,1,,,,,,, chem_shift_reference,chemical_shift_reference,5178,219009,1,,,,,,, chem_shift_reference,chemical_shift_reference,5179,219023,1,,,,,,, chem_shift_reference,chem_shift_ref,5180,219057,1,,,,,,, chem_shift_reference,chemical_shift_reference,5181,219084,1,,,,,,, chem_shift_reference,chemical_shift_reference,5182,219101,1,,,,,,, chem_shift_reference,chemical_shift_reference,5183,219125,1,,,,,,, chem_shift_reference,chemical_shift_reference,5184,219153,1,,,,,,, chem_shift_reference,chemical_shift_reference,5185,219170,1,,,,,,, chem_shift_reference,chemical_shift_reference,5186,219186,1,,,,,,, chem_shift_reference,chemical_shift_reference,5187,219213,1,,,,,,, chem_shift_reference,chemical_shift_reference,5188,219228,1,,,,,,, chem_shift_reference,chemical_shift_reference,5189,219259,1,,,,,,, chem_shift_reference,chemical_shift_reference,5190,219272,1,,,,,,, chem_shift_reference,chemical_shift_reference,5191,219285,1,,,,,,, chem_shift_reference,chemical_shift_reference,5192,219300,1,,,,,,, chem_shift_reference,chemical_shift_reference,5193,219321,1,,,,,,, chem_shift_reference,chemical_shift_reference,5194,219348,1,,,,,,, chem_shift_reference,chemical_shift_reference,5197,219380,1,,,,,,, chem_shift_reference,chemical_shift_reference,5198,219402,1,,,,,,, chem_shift_reference,chemical_shift_reference,5199,219429,1,,,,,,, chem_shift_reference,chemical_shift_reference,5200,219445,1,,,,,,, chem_shift_reference,chemical_shift_reference,5201,219464,1,,,,,,, chem_shift_reference,chemical_shift_reference,5202,219490,1,,,,,,, chem_shift_reference,chemical_shift_reference,5203,219514,1,,,,,,, chem_shift_reference,chemical_shift_reference,5204,219535,1,,,,,,, chem_shift_reference,chemical_shift_reference,5205,219554,1,,,,,,, chem_shift_reference,chemical_shift_reference,5206,219581,1,,,,,,, chem_shift_reference,chemical_shift_reference,5207,219605,1,,,,,,, chem_shift_reference,chemical_shift_reference,5208,219630,1,,,,,,, chem_shift_reference,chemical_shift_reference,5209,219654,1,,,,,,, chem_shift_reference,chemical_shift_reference,5210,219675,1,,,,,,, chem_shift_reference,chemical_shift_reference,5211,219695,1,,,,,,, chem_shift_reference,chemical_shift_reference,5212,219719,1,,,,,,, chem_shift_reference,chemical_shift_reference,5213,219742,1,,,,,,, chem_shift_reference,chemical_shift_reference,5214,219766,1,,,,,,, chem_shift_reference,chemical_shift_reference,5215,219789,1,,,,,,, chem_shift_reference,chemical_shift_reference,5216,219810,1,,,,,,, chem_shift_reference,chemical_shift_reference,5217,219830,1,,,,,,, chem_shift_reference,chemical_shift_reference,5218,219846,1,,,,,,, chem_shift_reference,chemical_shift_reference,5219,219872,1,,,,,,, chem_shift_reference,chemical_shift_reference,5220,219890,1,,,,,,, chem_shift_reference,chemical_shift_reference,5221,219918,1,,,,,,, chem_shift_reference,chemical_shift_reference,5222,219934,1,,,,,,, chem_shift_reference,chemical_shift_reference,5223,219962,1,,,,,,, chem_shift_reference,chemical_shift_reference,5224,219987,1,,,,,,, chem_shift_reference,chemical_shift_reference,5225,220021,1,,,,,,, chem_shift_reference,chemical_shift_reference,5226,220050,1,,,,,,, chem_shift_reference,chemical_shift_reference,5227,220075,1,,,,,,, chem_shift_reference,chemical_shift_reference,5228,220115,1,,,,,,, chem_shift_reference,chemical_shift_reference,5231,220146,1,,,,,,, chem_shift_reference,chemical_shift_reference,5232,220186,1,,,,,,, chem_shift_reference,chemical_shift_reference,5233,220201,1,,,,,,, chem_shift_reference,chemical_shift_reference,5234,220223,1,,,,,,, chem_shift_reference,chemical_shift_reference,5235,220237,1,,,,,,, chem_shift_reference,chemical_shift_reference,5236,220254,1,,,,,,, chem_shift_reference,chemical_shift_reference,5237,220279,1,,,,,,, chem_shift_reference,chemical_shift_reference,5238,220294,1,,,,,,, chem_shift_reference,chemical_shift_reference,5239,220310,1,,,,,,, chem_shift_reference,chemical_shift_reference,5240,220338,1,,,,,,, chem_shift_reference,chemical_shift_reference,5241,220366,1,,,,,,, chem_shift_reference,chemical_shift_reference,5242,220385,1,,,,,,, chem_shift_reference,chemical_shift_reference,5243,220402,1,,,,,,, chem_shift_reference,chemical_shift_reference,5244,220431,1,,,,,,, chem_shift_reference,chemical_shift_reference,5245,220457,1,,,,,,, chem_shift_reference,chemical_shift_reference,5246,220479,1,,,,,,, chem_shift_reference,chemical_shift_reference,5247,220507,1,,,,,,, chem_shift_reference,chemical_shift_reference,5248,220531,1,,,,,,, chem_shift_reference,chemical_shift_reference,5249,220554,1,,,,,,, chem_shift_reference,chemical_shift_reference,5250,220568,1,,,,,,, chem_shift_reference,chemical_shift_reference,5251,220583,1,,,,,,, chem_shift_reference,chemical_shift_reference,5252,220601,1,,,,,,, chem_shift_reference,chemical_shift_reference,5253,220619,1,,,,,,, chem_shift_reference,chemical_shift_reference,5254,220632,1,,,,,,, chem_shift_reference,chemical_shift_reference,5255,220645,1,,,,,,, chem_shift_reference,chemical_shift_reference,5256,220667,1,,,,,,, chem_shift_reference,chemical_shift_reference,5257,220681,1,,,,,,, chem_shift_reference,chemical_shift_reference,5259,220704,1,,,,,,, chem_shift_reference,chemical_shift_reference,5260,220728,1,,,,,,, chem_shift_reference,chemical_shift_reference,5261,220744,1,,,,,,, chem_shift_reference,chemical_shift_reference,5262,220763,1,,,,,,, chem_shift_reference,chemical_shift_reference,5263,220776,1,,,,,,, chem_shift_reference,chemical_shift_reference,5264,220796,1,,,,,,, chem_shift_reference,chemical_shift_reference,5265,220814,1,,,,,,, chem_shift_reference,chemical_shift_reference,5266,220841,1,,,,,,, chem_shift_reference,chemical_shift_reference,5267,220868,1,,,,,,, chem_shift_reference,chemical_shift_reference,5268,220884,1,,,,,,, chem_shift_reference,chemical_shift_reference,5269,220907,1,,,,,,, chem_shift_reference,chemical_shift_reference,5270,220930,1,,,,,,, chem_shift_reference,chemical_shift_reference,5271,220955,1,,,,,,, chem_shift_reference,chemical_shift_reference,5272,220982,1,,,,,,, chem_shift_reference,chemical_shift_reference,5273,220999,1,,,,,,, chem_shift_reference,chemical_shift_reference,5274,221014,1,,,,,,, chem_shift_reference,chemical_shift_reference,5275,221065,1,,,,,,, chem_shift_reference,chemical_shift_reference,5276,221081,1,,,,,,, chem_shift_reference,chemical_shift_reference,5277,221099,1,,,,,,, chem_shift_reference,chemical_shift_reference,5278,221120,1,,,,,,, chem_shift_reference,chemical_shift_reference,5279,221138,1,,,,,,, chem_shift_reference,chemical_shift_reference,5280,221176,1,,,,,,, chem_shift_reference,chemical_shift_reference,5281,221192,1,,,,,,, chem_shift_reference,chemical_shift_reference,5282,221215,1,,,,,,, chem_shift_reference,chemical_shift_reference,5283,221235,1,,,,,,, chem_shift_reference,chemical_shift_reference,5284,221258,1,,,,,,, chem_shift_reference,chemical_shift_reference,5285,221279,1,,,,,,, chem_shift_reference,chemical_shift_reference,5286,221301,1,,,,,,, chem_shift_reference,chemical_shift_reference,5287,221317,1,,,,,,, chem_shift_reference,chemical_shift_reference,5288,221340,1,,,,,,, chem_shift_reference,chemical_shift_reference,5289,221358,1,,,,,,, chem_shift_reference,chemical_shift_reference,5290,221376,1,,,,,,, chem_shift_reference,chemical_shift_reference,5291,221393,1,,,,,,, chem_shift_reference,chemical_shift_reference,5292,221412,1,,,,,,, chem_shift_reference,chemical_shift_reference,5293,221443,1,,,,,,, chem_shift_reference,chemical_shift_reference,5294,221469,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5295,221482,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5296,221497,1,,,,,,, chem_shift_reference,chemical_shift_reference,5297,221537,1,,,,,,, chem_shift_reference,chemical_shift_reference,5298,221562,1,,,,,,, chem_shift_reference,chemical_shift_reference,5299,221590,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,53,221605,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,530,221618,1,,,,,,, chem_shift_reference,chemical_shift_reference,5300,221655,1,,,,,,, chem_shift_reference,chemical_shift_reference,5301,221675,1,,,,,,, chem_shift_reference,chemical_shift_reference,5303,221722,1,,,,,,, chem_shift_reference,chemical_shift_reference,5304,221747,1,,,,,,, chem_shift_reference,chemical_shift_reference,5305,221770,1,,,,,,, chem_shift_reference,chemical_shift_reference,5306,221790,1,,,,,,, chem_shift_reference,chemical_shift_reference,5308,221829,1,,,,,,, chem_shift_reference,chemical_shift_reference,5309,221863,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,531,221876,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference,5310,221899,1,,,,,,, chem_shift_reference,chemical_shift_reference,5311,221929,1,,,,,,, chem_shift_reference,chemical_shift_reference,5312,221952,1,,,,,,, chem_shift_reference,chemical_shift_reference,5313,221965,1,,,,,,, chem_shift_reference,chemical_shift_reference,5314,221988,1,,,,,,, chem_shift_reference,chemical_shift_reference,5315,222022,1,,,,,,, chem_shift_reference,chemical_shift_reference,5316,222039,1,,,,,,, chem_shift_reference,chemical_shift_reference,5317,222063,1,,,,,,, chem_shift_reference,chemical_shift_reference,5318,222082,1,,,,,,, chem_shift_reference,chemical_shift_reference,5319,222107,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,532,222121,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference,5320,222143,1,,,,,,, chem_shift_reference,chemical_shift_reference,5321,222172,1,,,,,,, chem_shift_reference,chemical_shift_reference,5322,222187,1,,,,,,, chem_shift_reference,chemical_shift_reference,5323,222207,1,,,,,,, chem_shift_reference,chemical_shift_reference,5324,222228,1,,,,,,, chem_shift_reference,chemical_shift_reference,5325,222246,1,,,,,,, chem_shift_reference,chemical_shift_reference,5326,222275,1,,,,,,, chem_shift_reference,chemical_shift_reference,5327,222297,1,,,,,,, chem_shift_reference,chemical_shift_reference,5328,222321,1,,,,,,, chem_shift_reference,chemical_shift_reference,5329,222340,1,,,,,,, chem_shift_reference,chemical_shift_reference,5332,222414,1,,,,,,, chem_shift_reference,chemical_shift_reference,5333,222437,1,,,,,,, chem_shift_reference,chemical_shift_reference,5334,222462,1,,,,,,, chem_shift_reference,chemical_shift_reference,5335,222483,1,,,,,,, chem_shift_reference,chemical_shift_reference,5337,222507,1,,,,,,, chem_shift_reference,chemical_shift_reference,5338,222524,1,,,,,,, chem_shift_reference,chemical_shift_reference,5339,222540,1,,,,,,, chem_shift_reference,chemical_shift_reference,5340,222555,1,,,,,,, chem_shift_reference,chemical_shift_reference,5341,222590,1,,,,,,, chem_shift_reference,chemical_shift_reference,5342,222608,1,,,,,,, chem_shift_reference,chemical_shift_referencing,5343,222638,1,,,,,,, chem_shift_reference,chemical_shift_reference,5344,222658,1,,,,,,, chem_shift_reference,chemical_shift_reference,5345,222678,1,,,,,,, chem_shift_reference,chemical_shift_reference,5346,222698,1,,,,,,, chem_shift_reference,chemical_shift_reference,5347,222726,1,,,,,,, chem_shift_reference,chemical_shift_reference,5348,222744,1,,,,,,, chem_shift_reference,chemical_shift_reference,5349,222761,1,,,,,,, chem_shift_reference,chemical_shift_reference,5350,222777,1,,,,,,, chem_shift_reference,chemical_shift_reference,5351,222799,1,,,,,,, chem_shift_reference,chemical_shift_reference,5352,222815,1,,,,,,, chem_shift_reference,chemical_shift_reference,5353,222842,1,,,,,,, chem_shift_reference,chemical_shift_reference,5354,222860,1,,,,,,, chem_shift_reference,chemical_shift_reference,5355,222891,1,,,,,,, chem_shift_reference,chemical_shift_reference,5356,222906,1,,,,,,, chem_shift_reference,chemical_shift_reference,5357,222921,1,,,,,,, chem_shift_reference,chemical_shift_reference,5358,222935,1,,,,,,, chem_shift_reference,chemical_shift_reference,5359,222948,1,,,,,,, chem_shift_reference,chemical_shift_reference,5360,222968,1,,,,,,, chem_shift_reference,chemical_shift_reference,5361,222986,1,,,,,,, chem_shift_reference,chemical_shift_reference,5362,223014,1,,,,,,, chem_shift_reference,chemical_shift_reference,5363,223050,1,,,,,,, chem_shift_reference,chemical_shift_reference,5364,223071,1,,,,,,, chem_shift_reference,chemical_shift_reference,5365,223101,1,,,,,,, chem_shift_reference,chemical_shift_reference,5366,223124,1,,,,,,, chem_shift_reference,chemical_shift_reference,5368,223142,1,,,,,,, chem_shift_reference,chemical_shift_reference,5369,223165,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,537,223179,1,,,,,,, chem_shift_reference,chemical_shift_reference,5370,223202,1,,,,,,, chem_shift_reference,chemical_shift_reference,5371,223217,1,,,,,,, chem_shift_reference,chemical_shift_reference,5372,223238,1,,,,,,, chem_shift_reference,chemical_shift_reference,5373,223253,1,,,,,,, chem_shift_reference,chemical_shift_reference,5374,223278,1,,,,,,, chem_shift_reference,chemical_shift_reference,5375,223297,1,,,,,,, chem_shift_reference,chemical_shift_reference,5376,223319,1,,,,,,, chem_shift_reference,chemical_shift_reference,5377,223346,1,,,,,,, chem_shift_reference,chemical_shift_reference,5378,223369,1,,,,,,, chem_shift_reference,chemical_shift_reference,5379,223390,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,538,223403,1,,,,,,, chem_shift_reference,chemical_shift_reference,5381,223420,1,,,,,,, chem_shift_reference,chemical_shift_reference,5382,223434,1,,,,,,, chem_shift_reference,chemical_shift_reference,5383,223449,1,,,,,,, chem_shift_reference,chemical_shift_reference,5384,223463,1,,,,,,, chem_shift_reference,chemical_shift_reference,5385,223478,1,,,,,,, chem_shift_reference,chemical_shift_reference,5386,223510,1,,,,,,, chem_shift_reference,chemical_shift_reference,5387,223534,1,,,,,,, chem_shift_reference,chemical_shift_reference,5388,223560,1,,,,,,, chem_shift_reference,chemical_shift_reference,5389,223592,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,539,223605,1,,,,,,, chem_shift_reference,chemical_shift_reference,5390,223626,1,,,,,,, chem_shift_reference,chemical_shift_reference,5391,223644,1,,,,,,, chem_shift_reference,chemical_shift_reference,5392,223663,1,,,,,,, chem_shift_reference,chemical_shift_reference,5393,223688,1,,,,,,, chem_shift_reference,chemical_shift_reference,5394,223708,1,,,,,,,"The water proton resonance was referenced to 5.08 ppm at 5 degrees (exchangeable protons) and 4.8 ppm for 20 degrees (non-exchangeable protons)." chem_shift_reference,chemical_shift_reference,5395,223731,1,,,,,,,"The water proton resonance was referenced to 5.08 ppm at 5 degrees for observation of exchangeable protons, and 4.8 ppm at 20 degrees for observation of non-exchangeable protons." chem_shift_reference,chemical_shift_reference,5396,223768,1,,,,,,, chem_shift_reference,chemical_shift_reference,5397,223800,1,,,,,,, chem_shift_reference,chemical_shift_reference,5398,223821,1,,,,,,, chem_shift_reference,chemical_shift_reference,5399,223848,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,540,223861,1,,,,,,, chem_shift_reference,chemical_shift_reference,5400,223877,1,,,,,,, chem_shift_reference,chemical_shift_reference,5401,223901,1,,,,,,, chem_shift_reference,chemical_shift_reference,5402,223914,1,,,,,,, chem_shift_reference,chemical_shift_reference,5403,223940,1,,,,,,, chem_shift_reference,chemical_shift_reference,5404,223972,1,,,,,,, chem_shift_reference,chemical_shift_reference,5405,223992,1,,,,,,, chem_shift_reference,chemical_shift_reference,5406,224025,1,,,,,,, chem_shift_reference,chemical_shift_reference,5407,224054,1,,,,,,, chem_shift_reference,chemical_shift_reference,5408,224079,1,,,,,,, chem_shift_reference,chemical_shift_reference,5409,224100,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,541,224113,1,,,,,,, chem_shift_reference,chemical_shift_reference,5410,224130,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5411,224143,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5412,224157,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5413,224171,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5414,224185,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5415,224199,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5416,224213,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5417,224227,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5418,224241,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5419,224255,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5420,224269,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5421,224283,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5422,224297,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5423,224311,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5424,224325,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5425,224339,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5426,224353,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5427,224367,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5428,224381,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5429,224395,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,543,224412,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5430,224425,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5431,224439,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5432,224453,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5433,224467,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5434,224481,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5435,224495,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5436,224509,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5437,224523,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5438,224537,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5439,224551,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,544,224568,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5440,224581,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5441,224595,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5442,224609,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5443,224623,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5444,224637,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5445,224651,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5446,224665,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5447,224679,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5448,224693,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5449,224707,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,545,224724,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5450,224737,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5451,224752,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5452,224767,1,,,,,,, chem_shift_reference,chem_shift_reference_1,5453,224782,1,,,,,,, chem_shift_reference,chemical_shift_reference,5454,224800,1,,,,,,, chem_shift_reference,chemical_shift_reference,5455,224823,1,,,,,,, chem_shift_reference,chemical_shift_reference,5456,224837,1,,,,,,, chem_shift_reference,chemical_shift_reference,5457,224854,1,,,,,,, chem_shift_reference,chemical_shift_reference,5458,224885,1,,,,,,, chem_shift_reference,chemical_shift_reference,5459,224898,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,546,224914,1,,,,,,, chem_shift_reference,chemical_shift_reference,5461,224943,1,,,,,,, chem_shift_reference,chemical_shift_reference,5462,224966,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5463,224985,1,,,,,,, chem_shift_reference,chemical_shift_reference,5464,225007,1,,,,,,, chem_shift_reference,chemical_shift_reference,5465,225028,1,,,,,,, chem_shift_reference,chemical_shift_reference,5466,225049,1,,,,,,, chem_shift_reference,chemical_shift_reference,5467,225075,1,,,,,,, chem_shift_reference,chemical_shift_reference,5468,225093,1,,,,,,, chem_shift_reference,chemical_shift_reference,5469,225109,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,547,225122,1,,,,,,, chem_shift_reference,chemical_shift_reference,5470,225138,1,,,,,,, chem_shift_reference,chemical_shift_reference,5471,225162,1,,,,,,, chem_shift_reference,chemical_shift_reference,5472,225178,1,,,,,,, chem_shift_reference,chemical_shift_reference,5473,225194,1,,,,,,, chem_shift_reference,chemical_shift_reference,5474,225224,1,,,,,,, chem_shift_reference,chemical_shift_reference,5475,225242,1,,,,,,, chem_shift_reference,chemical_shift_reference,5476,225262,1,,,,,,, chem_shift_reference,chemical_shift_reference,5477,225282,1,,,,,,, chem_shift_reference,chemical_shift_reference,5478,225302,1,,,,,,, chem_shift_reference,chemical_shift_reference,5479,225322,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,548,225336,1,,,,,,, chem_shift_reference,chemical_shift_reference,5480,225380,1,,,,,,, chem_shift_reference,chemical_shift_reference,5481,225402,1,,,,,,, chem_shift_reference,chemical_shift_reference,5482,225432,1,,,,,,, chem_shift_reference,chemical_shift_reference,5483,225469,1,,,,,,, chem_shift_reference,chemical_shift_reference,5484,225493,1,,,,,,, chem_shift_reference,chemical_shift_reference,5485,225518,1,,,,,,, chem_shift_reference,chemical_shift_reference,5486,225539,1,,,,,,, chem_shift_reference,chemical_shift_reference,5487,225560,1,,,,,,, chem_shift_reference,chemical_shift_reference,5488,225579,1,,,,,,, chem_shift_reference,chemical_shift_reference,5489,225597,1,,,,,,, chem_shift_reference,chemical_shift_reference,5490,225623,1,,,,,,, chem_shift_reference,chemical_shift_reference,5491,225641,1,,,,,,, chem_shift_reference,chemical_shift_reference,5492,225657,1,,,,,,, chem_shift_reference,chemical_shift_reference,5493,225677,1,,,,,,, chem_shift_reference,chemical_shift_reference,5494,225697,1,,,,,,, chem_shift_reference,chemical_shift_reference,5495,225712,1,,,,,,, chem_shift_reference,chemical_shift_reference,5496,225737,1,,,,,,, chem_shift_reference,chemical_shift_reference,5497,225754,1,,,,,,, chem_shift_reference,chemical_shift_reference,5498,225771,1,,,,,,, chem_shift_reference,chemical_shift_reference,5499,225792,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,55,225805,1,,,,,,, chem_shift_reference,chemical_shift_reference,5500,225829,1,,,,,,, chem_shift_reference,chemical_shift_reference,5501,225845,1,,,,,,, chem_shift_reference,chemical_shift_reference,5502,225861,1,,,,,,, chem_shift_reference,chemical_shift_reference,5503,225880,1,,,,,,, chem_shift_reference,chemical_shift_reference,5504,225908,1,,,,,,, chem_shift_reference,chemical_shift_reference,5505,225940,1,,,,,,, chem_shift_reference,chemical_shift_reference,5506,225966,1,,,,,,, chem_shift_reference,chemical_shift_reference,5507,225984,1,,,,,,, chem_shift_reference,chemical_shift_reference,5508,226001,1,,,,,,, chem_shift_reference,chemical_shift_reference,5509,226018,1,,,,,,, chem_shift_reference,chemical_shift_reference,5510,226035,1,,,,,,, chem_shift_reference,chemical_shift_reference,5511,226063,1,,,,,,, chem_shift_reference,chemical_shift_reference,5512,226076,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,5513,226109,1,,,,,,, chem_shift_reference,chemical_shift_reference,5514,226132,1,,,,,,, chem_shift_reference,chemical_shift_reference,5515,226159,1,,,,,,, chem_shift_reference,chemical_shift_reference,5516,226175,1,,,,,,, chem_shift_reference,chemical_shift_reference,5517,226198,1,,,,,,, chem_shift_reference,chemical_shift_reference,5518,226213,1,,,,,,, chem_shift_reference,chemical_shift_reference,5519,226237,1,,,,,,, chem_shift_reference,chemical_shift_reference,5520,226265,1,,,,,,, chem_shift_reference,chemical_shift_reference,5521,226312,1,,,,,,, chem_shift_reference,chemical_shift_reference,5522,226368,1,,,,,,, chem_shift_reference,chemical_shift_reference,5523,226382,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,5524,226423,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,5524,226424,2,,,,,,, chem_shift_reference,chemical_shift_reference,5525,226452,1,,,,,,, chem_shift_reference,chemical_shift_reference,5527,226469,1,,,,,,, chem_shift_reference,chemical_shift_reference,5528,226496,1,,,,,,, chem_shift_reference,chemical_shift_reference,5529,226519,1,,,,,,, chem_shift_reference,chemical_shift_reference,5530,226543,1,,,,,,, chem_shift_reference,chemical_shift_reference,5531,226569,1,,,,,,, chem_shift_reference,chemical_shift_reference,5532,226595,1,,,,,,, chem_shift_reference,chemical_shift_reference,5534,226629,1,,,,,,, chem_shift_reference,chemical_shift_reference,5535,226647,1,,,,,,, chem_shift_reference,chemical_shift_reference,5536,226674,1,,,,,,, chem_shift_reference,chemical_shift_reference,5537,226701,1,,,,,,, chem_shift_reference,chemical_shift_reference,5538,226729,1,,,,,,, chem_shift_reference,chemical_shift_reference,5539,226744,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,554,226757,1,,,,,,, chem_shift_reference,chemical_shift_reference,5540,226781,1,,,,,,, chem_shift_reference,chemical_shift_reference,5541,226808,1,,,,,,, chem_shift_reference,chemical_shift_reference,5542,226822,1,,,,,,, chem_shift_reference,chemical_shift_reference,5543,226838,1,,,,,,, chem_shift_reference,chemical_shift_reference,5544,226858,1,,,,,,, chem_shift_reference,chemical_shift_reference,5545,226874,1,,,,,,, chem_shift_reference,chemical_shift_reference,5547,226918,1,,,,,,, chem_shift_reference,chemical_shift_reference,5548,226943,1,,,,,,, chem_shift_reference,chemical_shift_reference,5549,226977,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,555,226996,1,,,,,,, chem_shift_reference,chemical_shift_reference,5550,227018,1,,,,,,, chem_shift_reference,chemical_shift_reference,5551,227043,1,,,,,,, chem_shift_reference,chemical_shift_reference,5552,227065,1,,,,,,, chem_shift_reference,chemical_shift_reference,5553,227086,1,,,,,,, chem_shift_reference,chemical_shift_reference,5554,227106,1,,,,,,, chem_shift_reference,chemical_shift_reference,5555,227130,1,,,,,,, chem_shift_reference,chemical_shift_reference,5556,227152,1,,,,,,, chem_shift_reference,chemical_shift_reference,5557,227176,1,,,,,,, chem_shift_reference,chemical_shift_reference,5558,227200,1,,,,,,, chem_shift_reference,chemical_shift_reference,5559,227226,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,556,227239,1,,,,,,, chem_shift_reference,chemical_shift_reference,5560,227264,1,,,,,,, chem_shift_reference,chemical_shift_reference,5561,227287,1,,,,,,, chem_shift_reference,chemical_shift_reference,5562,227303,1,,,,,,, chem_shift_reference,chemical_shift_reference,5563,227318,1,,,,,,, chem_shift_reference,chemical_shift_reference,5564,227346,1,,,,,,, chem_shift_reference,chemical_shift_reference,5565,227360,1,,,,,,, chem_shift_reference,chemical_shift_reference,5566,227373,1,,,,,,, chem_shift_reference,chemical_shift_reference,5567,227386,1,,,,,,, chem_shift_reference,chemical_shift_reference,5568,227412,1,,,,,,, chem_shift_reference,chemical_shift_reference,5569,227440,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,557,227542,1,,,,,,, chem_shift_reference,chemical_shift_reference,5570,227568,1,,,,,,, chem_shift_reference,chemical_shift_reference,5571,227592,1,,,,,,, chem_shift_reference,chemical_shift_reference,5572,227605,1,,,,,,, chem_shift_reference,chemical_shift_reference,5573,227618,1,,,,,,, chem_shift_reference,chemical_shift_reference,5574,227634,1,,,,,,, chem_shift_reference,chemical_shift_reference,5575,227652,1,,,,,,, chem_shift_reference,chemical_shift_reference,5576,227674,1,,,,,,, chem_shift_reference,chemical_shift_reference,5577,227694,1,,,,,,, chem_shift_reference,chemical_shift_reference,5578,227723,1,,,,,,, chem_shift_reference,chemical_shift_reference,5579,227752,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,558,227765,1,,,,,,, chem_shift_reference,chemical_shift_reference,5580,227787,1,,,,,,, chem_shift_reference,chemical_shift_reference,5581,227809,1,,,,,,, chem_shift_reference,chemical_shift_reference,5582,227831,1,,,,,,, chem_shift_reference,chemical_shift_reference,5583,227851,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,5584,227876,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,5584,227877,2,,,,,,, chem_shift_reference,chemical_shift_reference,5585,227897,1,,,,,,, chem_shift_reference,chemical_shift_reference,5586,227917,1,,,,,,, chem_shift_reference,chemical_shift_reference,5587,227937,1,,,,,,, chem_shift_reference,chemical_shift_reference,5588,227957,1,,,,,,, chem_shift_reference,chemical_shift_reference,5589,227996,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,559,228009,1,,,,,,, chem_shift_reference,chemical_shift_reference,5590,228035,1,,,,,,, chem_shift_reference,chemical_shift_reference,5591,228064,1,,,,,,, chem_shift_reference,chemical_shift_reference,5592,228088,1,,,,,,, chem_shift_reference,chemical_shift_reference,5593,228106,1,,,,,,, chem_shift_reference,chemical_shift_reference,5594,228139,1,,,,,,, chem_shift_reference,chemical_shift_reference,5595,228168,1,,,,,,, chem_shift_reference,chemical_shift_reference,5596,228242,1,,,,,,, chem_shift_reference,chemical_shift_reference,5597,228266,1,,,,,,, chem_shift_reference,chemical_shift_reference,5598,228280,1,,,,,,, chem_shift_reference,chemical_shift_reference,5599,228314,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,560,228327,1,,,,,,, chem_shift_reference,chemical_shift_reference,5600,228359,1,,,,,,, chem_shift_reference,chemical_shift_reference,5601,228394,1,,,,,,, chem_shift_reference,chemical_shift_reference,5602,228412,1,,,,,,, chem_shift_reference,chemical_shift_reference,5603,228442,1,,,,,,, chem_shift_reference,chemical_shift_reference,5604,228467,1,,,,,,, chem_shift_reference,chemical_shift_reference,5605,228504,1,,,,,,, chem_shift_reference,chemical_shift_reference,5606,228521,1,,,,,,, chem_shift_reference,chemical_shift_reference,5607,228546,1,,,,,,, chem_shift_reference,chemical_shift_reference,5608,228573,1,,,,,,, chem_shift_reference,chemical_shift_reference,5609,228588,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,561,228601,1,,,,,,, chem_shift_reference,chemical_shift_reference,5610,228622,1,,,,,,, chem_shift_reference,chemical_shift_reference,5611,228639,1,,,,,,, chem_shift_reference,chemical_shift_reference,5613,228677,1,,,,,,, chem_shift_reference,chemical_shift_reference,5614,228696,1,,,,,,, chem_shift_reference,chemical_shift_reference,5615,228714,1,,,,,,, chem_shift_reference,chemical_shift_reference,5616,228741,1,,,,,,, chem_shift_reference,chemical_shift_reference,5617,228758,1,,,,,,, chem_shift_reference,chemical_shift_reference,5618,228777,1,,,,,,, chem_shift_reference,chemical_shift_reference,5619,228801,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,562,228814,1,,,,,,, chem_shift_reference,chemical_shift_reference,5620,228851,1,,,,,,, chem_shift_reference,chemical_shift_reference,5621,228877,1,,,,,,, chem_shift_reference,chemical_shift_reference,5622,228898,1,,,,,,, chem_shift_reference,chemical_shift_reference,5623,228927,1,,,,,,, chem_shift_reference,chemical_shift_reference,5624,228952,1,,,,,,, chem_shift_reference,chemical_shift_reference,5625,228973,1,,,,,,, chem_shift_reference,chemical_shift_reference,5626,229001,1,,,,,,, chem_shift_reference,chemical_shift_reference,5627,229035,1,,,,,,, chem_shift_reference,chemical_shift_reference,5628,229053,1,,,,,,, chem_shift_reference,chemical_shift_reference,5629,229105,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,563,229118,1,,,,,,, chem_shift_reference,chemical_shift_reference,5630,229133,1,,,,,,, chem_shift_reference,chemical_shift_reference,5631,229162,1,,,,,,, chem_shift_reference,chemical_shift_reference,5632,229186,1,,,,,,, chem_shift_reference,chemical_shift_reference,5633,229203,1,,,,,,, chem_shift_reference,chemical_shift_reference,5634,229218,1,,,,,,, chem_shift_reference,chemical_shift_reference,5635,229232,1,,,,,,, chem_shift_reference,chemical_shift_reference,5636,229246,1,,,,,,, chem_shift_reference,chemical_shift_reference,5637,229260,1,,,,,,, chem_shift_reference,chemical_shift_reference,5638,229274,1,,,,,,, chem_shift_reference,chemical_shift_reference,5639,229288,1,,,,,,, chem_shift_reference,chemical_shift_reference,5640,229302,1,,,,,,, chem_shift_reference,chemical_shift_reference,5641,229316,1,,,,,,, chem_shift_reference,chemical_shift_reference,5642,229330,1,,,,,,, chem_shift_reference,chemical_shift_reference,5643,229344,1,,,,,,, chem_shift_reference,chemical_shift_reference,5644,229358,1,,,,,,, chem_shift_reference,chemical_shift_reference,5645,229372,1,,,,,,, chem_shift_reference,chemical_shift_reference,5646,229386,1,,,,,,, chem_shift_reference,chemical_shift_reference,5647,229400,1,,,,,,, chem_shift_reference,chemical_shift_reference,5648,229414,1,,,,,,, chem_shift_reference,chemical_shift_reference,5649,229428,1,,,,,,, chem_shift_reference,chemical_shift_reference,5650,229467,1,,,,,,, chem_shift_reference,chemical_shift_reference,5651,229482,1,,,,,,, chem_shift_reference,chemical_shift_reference,5652,229500,1,,,,,,, chem_shift_reference,chemical_shift_reference,5653,229529,1,,,,,,, chem_shift_reference,chemical_shift_reference,5654,229556,1,,,,,,, chem_shift_reference,chemical_shift_reference,5655,229574,1,,,,,,, chem_shift_reference,chemical_shift_reference_one,5656,229594,1,,,,,,, chem_shift_reference,chemical_shift_reference,5657,229608,1,,,,,,, chem_shift_reference,chemical_shift_reference,5658,229632,1,,,,,,, chem_shift_reference,chemical_shift_reference,5659,229655,1,,,,,,, chem_shift_reference,chemical_shift_reference,5660,229678,1,,,,,,, chem_shift_reference,chemical_shift_reference,5661,229708,1,,,,,,, chem_shift_reference,chemical_shift_reference,5662,229721,1,,,,,,, chem_shift_reference,chemical_shift_reference,5663,229734,1,,,,,,, chem_shift_reference,chemical_shift_reference,5664,229756,1,,,,,,, chem_shift_reference,chemical_shift_reference,5665,229781,1,,,,,,, chem_shift_reference,chemical_shift_reference,5666,229795,1,,,,,,, chem_shift_reference,chemical_shift_reference,5667,229819,1,,,,,,, chem_shift_reference,chemical_shift_reference,5668,229859,1,,,,,,, chem_shift_reference,chemical_shift_reference,5669,229890,1,,,,,,, chem_shift_reference,chemical_shift_reference,5670,229919,1,,,,,,, chem_shift_reference,chemical_shift_reference,5671,229944,1,,,,,,, chem_shift_reference,chemical_shift_reference,5672,229968,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5673,229991,1,,,,,,, chem_shift_reference,chemical_shift_reference,5674,230012,1,,,,,,, chem_shift_reference,chemical_shift_reference,5675,230029,1,,,,,,, chem_shift_reference,chemical_shift_reference,5676,230046,1,,,,,,, chem_shift_reference,chemical_shift_reference,5677,230063,1,,,,,,, chem_shift_reference,chemical_shift_reference,5678,230078,1,,,,,,, chem_shift_reference,chemical_shift_reference,5679,230109,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,568,230122,1,,,,,,, chem_shift_reference,chemical_shift_reference,5680,230147,1,,,,,,, chem_shift_reference,chemical_shift_reference,5681,230167,1,,,,,,, chem_shift_reference,chemical_shift_reference,5682,230186,1,,,,,,, chem_shift_reference,chemical_shift_reference,5683,230201,1,,,,,,, chem_shift_reference,chemical_shift_reference,5684,230221,1,,,,,,, chem_shift_reference,chemical_shift_reference,5685,230249,1,,,,,,, chem_shift_reference,chemical_shift_reference,5686,230275,1,,,,,,, chem_shift_reference,chemical_shift_reference,5687,230299,1,,,,,,, chem_shift_reference,chemical_shift_reference,5688,230329,1,,,,,,, chem_shift_reference,chemical_shift_reference,5689,230349,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,569,230362,1,,,,,,, chem_shift_reference,chemical_shift_reference,5690,230382,1,,,,,,, chem_shift_reference,chemical_shift_reference,5691,230443,1,,,,,,, chem_shift_reference,chemical_shift_reference,5692,230466,1,,,,,,, chem_shift_reference,chemical_shift_reference_label,5693,230491,1,,,,,,, chem_shift_reference,chemical_shift_reference,5694,230504,1,,,,,,, chem_shift_reference,chemical_shift_reference,5695,230528,1,,,,,,, chem_shift_reference,chemical_shift_reference,5696,230559,1,,,,,,, chem_shift_reference,chemical_shift_reference,5697,230579,1,,,,,,, chem_shift_reference,chemical_shift_reference,5698,230606,1,,,,,,, chem_shift_reference,chemical_shift_reference,5699,230624,1,,,,,,, chem_shift_reference,chemical_shift_reference,5700,230643,1,,,,,,, chem_shift_reference,chemical_shift_reference,5701,230679,1,,,,,,, chem_shift_reference,chemical_shift_reference,5702,230698,1,,,,,,, chem_shift_reference,chemical_shift_reference,5703,230720,1,,,,,,,"0.1 mM 3-(Trimethylsilyl)-1-propane sulfonic aicd (TSP) serves as an internal reference for protons and indirectly referenced for carbon and phosphorus using a chemical shift ratio." chem_shift_reference,chemical_shift_reference,5704,230740,1,,,,,,, chem_shift_reference,chemical_shift_reference,5705,230756,1,,,,,,, chem_shift_reference,chemical_shift_reference,5706,230783,1,,,,,,, chem_shift_reference,chemical_shift_reference,5707,230802,1,,,,,,, chem_shift_reference,chemical_shift_reference,5708,230830,1,,,,,,, chem_shift_reference,chemical_shift_reference,5709,230851,1,,,,,,, chem_shift_reference,chemical_shift_reference,5710,230865,1,,,,,,, chem_shift_reference,chemical_shift_reference,5711,230895,1,,,,,,, chem_shift_reference,chemical_shift_reference,5712,230917,1,,,,,,, chem_shift_reference,chemical_shift_reference,5713,230930,1,,,,,,, chem_shift_reference,chemical_shift_reference,5714,230946,1,,,,,,, chem_shift_reference,chemical_shift_reference,5716,230990,1,,,,,,, chem_shift_reference,chemical_shift_reference,5717,231009,1,,,,,,, chem_shift_reference,chemical_shift_reference,5718,231027,1,,,,,,, chem_shift_reference,chemical_shift_reference,5719,231041,1,,,,,,, chem_shift_reference,chemical_shift_reference,5720,231056,1,,,,,,, chem_shift_reference,chemical_shift_reference,5721,231077,1,,,,,,, chem_shift_reference,chemical_shift_reference,5722,231094,1,,,,,,, chem_shift_reference,chemical_shift_reference,5723,231117,1,,,,,,, chem_shift_reference,chemical_shift_reference,5724,231140,1,,,,,,, chem_shift_reference,chemical_shift_reference,5725,231161,1,,,,,,, chem_shift_reference,chemical_shift_reference,5726,231185,1,,,,,,, chem_shift_reference,chemical_shift_reference,5727,231208,1,,,,,,, chem_shift_reference,chemical_shift_reference,5728,231231,1,,,,,,, chem_shift_reference,chemical_shift_reference,5729,231246,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,573,231259,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,5730,231283,1,,,,,,, chem_shift_reference,chemical_shift_reference,5731,231303,1,,,,,,, chem_shift_reference,chemical_shift_reference,5732,231324,1,,,,,,, chem_shift_reference,chemical_shift_reference,5733,231342,1,,,,,,, chem_shift_reference,chemical_shift_reference,5734,231360,1,,,,,,, chem_shift_reference,chemical_shift_reference,5735,231374,1,,,,,,, chem_shift_reference,chemical_shift_reference,5736,231391,1,,,,,,, chem_shift_reference,chemical_shift_reference,5737,231407,1,,,,,,, chem_shift_reference,chemical_shift_reference,5738,231432,1,,,,,,, chem_shift_reference,chemical_shift_reference,5739,231460,1,,,,,,, chem_shift_reference,chemical_shift_reference,5740,231485,1,,,,,,, chem_shift_reference,chemical_shift_reference,5741,231508,1,,,,,,, chem_shift_reference,chemical_shift_reference,5742,231540,1,,,,,,, chem_shift_reference,chemical_shift_reference,5743,231559,1,,,,,,, chem_shift_reference,chemical_shift_reference,5744,231579,1,,,,,,, chem_shift_reference,chemical_shift_reference,5745,231606,1,,,,,,, chem_shift_reference,chemical_shift_reference,5746,231627,1,,,,,,, chem_shift_reference,chemical_shift_reference,5747,231651,1,,,,,,, chem_shift_reference,chemical_shift_reference,5748,231665,1,,,,,,, chem_shift_reference,chemical_shift_reference,5749,231681,1,,,,,,, chem_shift_reference,chemical_shift_reference,5750,231696,1,,,,,,, chem_shift_reference,chemical_shift_reference,5751,231710,1,,,,,,, chem_shift_reference,chemical_shift_reference,5752,231732,1,,,,,,, chem_shift_reference,chemical_shift_reference,5753,231754,1,,,,,,, chem_shift_reference,chemical_shift_reference,5754,231774,1,,,,,,, chem_shift_reference,chemical_shift_reference,5755,231798,1,,,,,,, chem_shift_reference,chemical_shift_reference,5756,231828,1,,,,,,, chem_shift_reference,chemical_shift_reference,5757,231847,1,,,,,,, chem_shift_reference,chemical_shift_reference,5758,231872,1,,,,,,, chem_shift_reference,chemical_shift_reference,5759,231889,1,,,,,,, chem_shift_reference,chemical_shift_reference,5760,231908,1,,,,,,, chem_shift_reference,chemical_shift_reference,5761,231930,1,,,,,,, chem_shift_reference,chemical_shift_reference,5762,231945,1,,,,,,, chem_shift_reference,chemical_shift_reference,5763,231970,1,,,,,,, chem_shift_reference,chemical_shift_reference,5764,232010,1,,,,,,, chem_shift_reference,chemical_shift_reference,5765,232023,1,,,,,,, chem_shift_reference,chemical_shift_reference,5766,232043,1,,,,,,, chem_shift_reference,chemical_shift_reference,5767,232062,1,,,,,,, chem_shift_reference,chemical_shift_reference,5768,232087,1,,,,,,, chem_shift_reference,chemical_shift_reference,5769,232109,1,,,,,,, chem_shift_reference,chemical_shift_reference,5770,232138,1,,,,,,, chem_shift_reference,chemical_shift_reference,5771,232153,1,,,,,,, chem_shift_reference,chemical_shift_reference,5772,232176,1,,,,,,, chem_shift_reference,chemical_shift_reference,5773,232199,1,,,,,,, chem_shift_reference,chemical_shift_reference,5774,232222,1,,,,,,, chem_shift_reference,chemical_shift_reference,5775,232241,1,,,,,,, chem_shift_reference,chemical_shift_reference,5776,232263,1,,,,,,, chem_shift_reference,chemical_shift_reference,5777,232285,1,,,,,,, chem_shift_reference,chemical_shift_reference,5778,232303,1,,,,,,, chem_shift_reference,chemical_shift_reference,5779,232331,1,,,,,,, chem_shift_reference,chemical_shift_reference,5780,232351,1,,,,,,,"The water chemical shift was calculated as proposed in the paper by Wishart et al., J.Biomol. NMR 6, 135-140 (1995) to reference in effect with respect to DSS=0 ppm." chem_shift_reference,chemical_shift_reference,5781,232371,1,,,,,,, chem_shift_reference,chemical_shift_reference,5782,232389,1,,,,,,, chem_shift_reference,chemical_shift_reference,5783,232406,1,,,,,,, chem_shift_reference,chemical_shift_reference,5784,232422,1,,,,,,, chem_shift_reference,chemical_shift_reference,5785,232444,1,,,,,,, chem_shift_reference,chemical_shift_reference,5786,232464,1,,,,,,, chem_shift_reference,chemical_shift_reference,5787,232485,1,,,,,,, chem_shift_reference,chemical_shift_reference,5788,232515,1,,,,,,, chem_shift_reference,chemical_shift_reference,5789,232543,1,,,,,,, chem_shift_reference,chemical_shift_reference,5790,232569,1,,,,,,, chem_shift_reference,chemical_shift_reference,5791,232588,1,,,,,,, chem_shift_reference,chemical_shift_reference,5792,232611,1,,,,,,, chem_shift_reference,chemical_shift_reference,5793,232633,1,,,,,,, chem_shift_reference,chemical_shift_reference,5794,232659,1,,,,,,, chem_shift_reference,chemical_shift_reference,5795,232677,1,,,,,,, chem_shift_reference,chemical_shift_reference,5796,232705,1,,,,,,, chem_shift_reference,chemical_shift_reference,5797,232719,1,,,,,,, chem_shift_reference,chemical_shift_reference,5798,232741,1,,,,,,, chem_shift_reference,chemical_shift_reference,5799,232767,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,58,232780,1,,,,,,, chem_shift_reference,chemical_shift_reference,5800,232808,1,,,,,,, chem_shift_reference,chemical_shift_reference,5801,232830,1,,,,,,, chem_shift_reference,chemical_shift_reference,5802,232858,1,,,,,,, chem_shift_reference,chemical_shift_reference,5803,232882,1,,,,,,, chem_shift_reference,chemical_shift_reference,5804,232905,1,,,,,,, chem_shift_reference,chemical_shift_reference,5805,232931,1,,,,,,, chem_shift_reference,chemical_shift_reference,5806,232951,1,,,,,,, chem_shift_reference,chemical_shift_reference,5807,232966,1,,,,,,, chem_shift_reference,chemical_shift_reference,5808,232989,1,,,,,,, chem_shift_reference,chemical_shift_reference,5809,233012,1,,,,,,, chem_shift_reference,chemical_shift_reference,5810,233037,1,,,,,,, chem_shift_reference,chemical_shift_reference,5811,233055,1,,,,,,, chem_shift_reference,chemical_shift_reference,5812,233069,1,,,,,,, chem_shift_reference,chemical_shift_reference,5813,233099,1,,,,,,, chem_shift_reference,chemical_shift_reference,5814,233129,1,,,,,,, chem_shift_reference,chemical_shift_reference,5815,233148,1,,,,,,, chem_shift_reference,chemical_shift_reference,5816,233176,1,,,,,,, chem_shift_reference,chemical_shift_reference,5817,233198,1,,,,,,, chem_shift_reference,chemical_shift_reference,5819,233254,1,,,,,,, chem_shift_reference,chemical_shift_reference,5820,233268,1,,,,,,, chem_shift_reference,chemical_shift_reference,5821,233283,1,,,,,,, chem_shift_reference,chemical_shift_reference,5822,233308,1,,,,,,, chem_shift_reference,chemical_shift_reference,5823,233323,1,,,,,,, chem_shift_reference,chemical_shift_reference,5824,233349,1,,,,,,, chem_shift_reference,chemical_shift_reference,5825,233366,1,,,,,,, chem_shift_reference,chemical_shift_reference,5826,233379,1,,,,,,, chem_shift_reference,chemical_shift_reference,5827,233400,1,,,,,,, chem_shift_reference,chemical_shift_reference,5828,233421,1,,,,,,, chem_shift_reference,chemical_shift_reference,5829,233438,1,,,,,,, chem_shift_reference,chemical_shift_reference,5830,233454,1,,,,,,, chem_shift_reference,chemical_shift_reference,5832,233469,1,,,,,,, chem_shift_reference,chemical_shift_reference,5833,233484,1,,,,,,, chem_shift_reference,chemical_shift_reference,5834,233507,1,,,,,,, chem_shift_reference,chemical_shift_reference,5836,233537,1,,,,,,, chem_shift_reference,chemical_shift_reference,5837,233560,1,,,,,,, chem_shift_reference,chemical_shift_reference,5838,233585,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,5840,233626,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,5840,233627,2,,,,,,, chem_shift_reference,chemical_shift_reference,5842,233696,1,,,,,,, chem_shift_reference,chemical_shift_reference,5843,233725,1,,,,,,, chem_shift_reference,chemical_shift_reference,5844,233778,1,,,,,,, chem_shift_reference,chemical_shift_reference,5845,233809,1,,,,,,, chem_shift_reference,chemical_shift_reference,5846,233835,1,,,,,,, chem_shift_reference,chemical_shift_reference,5847,233865,1,,,,,,, chem_shift_reference,chemical_shift_reference,5848,233883,1,,,,,,, chem_shift_reference,chemical_shift_reference,5849,233904,1,,,,,,, chem_shift_reference,chemical_shift_reference,5850,233926,1,,,,,,, chem_shift_reference,chemical_shift_reference,5851,233950,1,,,,,,, chem_shift_reference,chemical_shift_reference,5852,233990,1,,,,,,, chem_shift_reference,chemical_shift_reference,5853,234009,1,,,,,,, chem_shift_reference,chemical_shift_reference,5854,234043,1,,,,,,,The reference is described in Cavanagh et al. (1996) page 176. chem_shift_reference,chemical_shift_reference,5856,234062,1,,,,,,, chem_shift_reference,chemical_shift_reference,5857,234091,1,,,,,,, chem_shift_reference,chemical_shift_reference,5858,234121,1,,,,,,, chem_shift_reference,chemical_shift_reference,5859,234187,1,,,,,,, chem_shift_reference,chemical_shift_reference,5860,234205,1,,,,,,, chem_shift_reference,chemical_shift_reference,5861,234227,1,,,,,,, chem_shift_reference,chemical_shift_reference,5862,234248,1,,,,,,, chem_shift_reference,chemical_shift_reference,5863,234291,1,,,,,,, chem_shift_reference,chemical_shift_reference,5864,234307,1,,,,,,, chem_shift_reference,chemical_shift_reference,5865,234326,1,,,,,,, chem_shift_reference,chemical_shift_reference,5866,234354,1,,,,,,, chem_shift_reference,chemical_shift_reference,5867,234375,1,,,,,,,"C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe." chem_shift_reference,chemical_shift_reference,5868,234395,1,,,,,,, chem_shift_reference,chemical_shift_reference,5869,234414,1,,,,,,, chem_shift_reference,chemical_shift_reference,5870,234435,1,,,,,,, chem_shift_reference,chemical_shift_reference,5871,234448,1,,,,,,, chem_shift_reference,chemical_shift_reference,5872,234467,1,,,,,,, chem_shift_reference,chemical_shift_reference,5873,234493,1,,,,,,, chem_shift_reference,chemical_shift_reference,5874,234517,1,,,,,,, chem_shift_reference,chemical_shift_reference,5875,234554,1,,,,,,, chem_shift_reference,chemical_shift_reference,5876,234578,1,,,,,,, chem_shift_reference,chemical_shift_reference,5877,234600,1,,,,,,, chem_shift_reference,chemical_shift_reference,5878,234634,1,,,,,,, chem_shift_reference,chemical_shift_reference,5879,234652,1,,,,,,, chem_shift_reference,chemical_shift_reference,5880,234673,1,,,,,,,"C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe." chem_shift_reference,chemical_shift_reference,5881,234689,1,,,,,,, chem_shift_reference,chemical_shift_reference,5882,234715,1,,,,,,, chem_shift_reference,chemical_shift_reference,5883,234735,1,,,,,,, chem_shift_reference,chemical_shift_reference,5884,234752,1,,,,,,, chem_shift_reference,chemcia_shift_reference,5885,234783,1,,,,,,, chem_shift_reference,chemical_shift_reference,5886,234807,1,,,,,,, chem_shift_reference,chemical_shift_reference,5887,234839,1,,,,,,, chem_shift_reference,chemical_shift_reference,5888,234864,1,,,,,,, chem_shift_reference,chemical_shift_reference,5889,234882,1,,,,,,, chem_shift_reference,chemical_shift_reference,5890,234905,1,,,,,,, chem_shift_reference,chemical_shift_reference,5891,234937,1,,,,,,, chem_shift_reference,chemical_shift_reference,5892,234954,1,,,,,,, chem_shift_reference,chemical_shift_reference,5893,234977,1,,,,,,, chem_shift_reference,chemical_shift_reference,5894,235010,1,,,,,,, chem_shift_reference,chemical_shift_reference,5895,235039,1,,,,,,, chem_shift_reference,chemical_shift_reference,5896,235061,1,,,,,,, chem_shift_reference,chemical_shift_reference,5897,235074,1,,,,,,, chem_shift_reference,chemical_shift_reference,5898,235094,1,,,,,,,"Calibation followed the reference Journal of Biolmolecular NMR 6 (1995) 135-140. 1H, 13C and 15N chemical shift referencing in biomolecular NMR by Wishart et al." chem_shift_reference,chemical_shift_reference,5899,235113,1,,,,,,, chem_shift_reference,chemical_shift_reference,5900,235130,1,,,,,,, chem_shift_reference,chemical_shift_reference,5901,235162,1,,,,,,, chem_shift_reference,chemical_shift_reference,5902,235195,1,,,,,,, chem_shift_reference,chemical_shift_reference,5903,235208,1,,,,,,, chem_shift_reference,chemical_shift_reference,5904,235231,1,,,,,,, chem_shift_reference,chemical_shift_reference,5905,235267,1,,,,,,, chem_shift_reference,chemical_shift_reference,5906,235280,1,,,,,,, chem_shift_reference,chemical_shift_reference,5907,235301,1,,,,,,, chem_shift_reference,chemical_shift_reference,5908,235337,1,,,,,,, chem_shift_reference,chemical_shift_reference,5909,235362,1,,,,,,, chem_shift_reference,chemical_shift_reference,5910,235387,1,,,,,,, chem_shift_reference,chemical_shift_reference,5911,235408,1,,,,,,, chem_shift_reference,chemical_shift_reference,5912,235431,1,,,,,,, chem_shift_reference,chemical_shift_reference,5914,235471,1,,,,,,, chem_shift_reference,chemical_shift_reference,5915,235492,1,,,,,,, chem_shift_reference,chemical_shift_reference,5916,235515,1,,,,,,, chem_shift_reference,chemical_shift_reference,5917,235531,1,,,,,,, chem_shift_reference,chemical_shift_reference,5918,235551,1,,,,,,, chem_shift_reference,chemical_shift_reference,5919,235582,1,,,,,,, chem_shift_reference,chemical_shift_reference,5920,235597,1,,,,,,, chem_shift_reference,chemical_shift_reference,5921,235613,1,,,,,,, chem_shift_reference,chemical_shift_reference,5922,235632,1,,,,,,, chem_shift_reference,chemical_shift_reference,5923,235648,1,,,,,,, chem_shift_reference,chemical_shift_reference,5924,235678,1,,,,,,, chem_shift_reference,chemical_shift_reference,5925,235694,1,,,,,,, chem_shift_reference,chemical_shift_reference,5927,235731,1,,,,,,, chem_shift_reference,chemical_shift_reference,5928,235762,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.700 ppm at 300 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference,5929,235793,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.700 ppm at 300 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference,5930,235809,1,,,,,,, chem_shift_reference,chemical_shift_reference,5931,235838,1,,,,,,, chem_shift_reference,chemical_shift_reference,5932,235870,1,,,,,,, chem_shift_reference,chemical_shift_reference_set_1,5933,235898,1,,,,,,, chem_shift_reference,chemical_shift_reference,5934,235913,1,,,,,,, chem_shift_reference,chemical_shift_reference,5935,235936,1,,,,,,, chem_shift_reference,chemical_shift_reference,5936,235952,1,,,,,,, chem_shift_reference,chemical_shift_reference,5937,235981,1,,,,,,, chem_shift_reference,chemical_shift_reference,5938,235998,1,,,,,,, chem_shift_reference,chemical_shift_reference,5939,236032,1,,,,,,, chem_shift_reference,chemical_shift_reference,5940,236046,1,,,,,,, chem_shift_reference,chemical_shift_reference,5941,236063,1,,,,,,, chem_shift_reference,chemical_shift_reference,5942,236077,1,,,,,,, chem_shift_reference,chemical_shift_reference,5943,236100,1,,,,,,, chem_shift_reference,chemical_shift_reference,5944,236135,1,,,,,,, chem_shift_reference,chemical_shift_reference,5945,236169,1,,,,,,, chem_shift_reference,chemical_shift_reference,5946,236184,1,,,,,,, chem_shift_reference,chemical_shift_reference,5947,236210,1,,,,,,, chem_shift_reference,chemical_shift_reference,5948,236235,1,,,,,,, chem_shift_reference,chemical_shift_reference,5949,236260,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,595,236273,1,,,,,,, chem_shift_reference,chemical_shift_reference,5950,236286,1,,,,,,, chem_shift_reference,chemical_shift_reference,5951,236301,1,,,,,,, chem_shift_reference,chemical_shift_reference,5952,236314,1,,,,,,, chem_shift_reference,chemical_shift_reference,5953,236342,1,,,,,,, chem_shift_reference,chemical_shift_reference,5954,236367,1,,,,,,, chem_shift_reference,chemical_shift_reference,5955,236393,1,,,,,,, chem_shift_reference,chemical_shift_reference,5956,236408,1,,,,,,, chem_shift_reference,chemical_shift_reference,5958,236431,1,,,,,,, chem_shift_reference,chemical_shift_reference,5959,236449,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,596,236462,1,,,,,,, chem_shift_reference,chemical_shift_reference,5960,236479,1,,,,,,, chem_shift_reference,chemical_shift_reference,5961,236499,1,,,,,,, chem_shift_reference,chemical_shift_reference,5962,236516,1,,,,,,, chem_shift_reference,chemical_shift_reference,5963,236531,1,,,,,,, chem_shift_reference,chemical_shift_reference,5964,236546,1,,,,,,, chem_shift_reference,chemical_shift_reference,5965,236561,1,,,,,,, chem_shift_reference,chemical_shift_reference,5966,236576,1,,,,,,, chem_shift_reference,chemical_shift_reference,5967,236594,1,,,,,,, chem_shift_reference,chemical_shift_reference,5968,236624,1,,,,,,, chem_shift_reference,chemical_shift_reference,5969,236641,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,597,236655,1,,,,,,, chem_shift_reference,chemical_shift_reference,5970,236684,1,,,,,,, chem_shift_reference,chemical_shift_reference,5971,236711,1,,,,,,, chem_shift_reference,chemical_shift_reference,5972,236731,1,,,,,,, chem_shift_reference,chemical_shift_reference,5973,236755,1,,,,,,, chem_shift_reference,chemical_shift_reference,5974,236768,1,,,,,,, chem_shift_reference,chemical_shift_reference,5975,236793,1,,,,,,, chem_shift_reference,chemical_shift_reference,5976,236808,1,,,,,,, chem_shift_reference,chemical_shift_reference,5977,236829,1,,,,,,, chem_shift_reference,chemical_shift_reference,5978,236851,1,,,,,,, chem_shift_reference,chemical_shift_reference,5979,236871,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,598,236885,1,,,,,,, chem_shift_reference,chemical_shift_reference,5980,236905,1,,,,,,, chem_shift_reference,chemical_shift_reference,5981,236948,1,,,,,,, chem_shift_reference,chemical_shift_reference,5982,236963,1,,,,,,, chem_shift_reference,chemical_shift_reference,5983,236994,1,,,,,,, chem_shift_reference,chemical_shift_reference,5984,237018,1,,,,,,, chem_shift_reference,chemical_shift_reference,5985,237035,1,,,,,,, chem_shift_reference,chemical_shift_reference,5986,237052,1,,,,,,, chem_shift_reference,chemical_shift_reference,5987,237081,1,,,,,,, chem_shift_reference,chemical_shift_reference,5988,237099,1,,,,,,, chem_shift_reference,chemical_shift_reference,5989,237119,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,599,237134,1,,,,,,, chem_shift_reference,chemical_shift_reference,5991,237172,1,,,,,,, chem_shift_reference,chem_shift_reference_SC-CEN2-P1-XPC,5992,237203,1,,,,,,, chem_shift_reference,chemical_shift_reference,5993,237224,1,,,,,,, chem_shift_reference,chemical_shift_reference,5994,237242,1,,,,,,, chem_shift_reference,chemical_shift_reference,5995,237265,1,,,,,,, chem_shift_reference,chemical_shift_reference,5996,237314,1,,,,,,, chem_shift_reference,chemical_shift_reference,5997,237367,1,,,,,,, chem_shift_reference,chemical_shift_reference,5998,237398,1,,,,,,, chem_shift_reference,chemical_shift_reference,5999,237428,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,6,237439,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,60,237452,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,600,237465,1,,,,,,, chem_shift_reference,chemical_shift_reference,6000,237481,1,,,,,,, chem_shift_reference,chemical_shift_reference,6001,237500,1,,,,,,, chem_shift_reference,chemical_shift_reference,6002,237536,1,,,,,,, chem_shift_reference,chemical_shift_reference,6003,237561,1,,,,,,, chem_shift_reference,chemical_shift_reference,6004,237587,1,,,,,,, chem_shift_reference,chemical_shift_reference,6005,237617,1,,,,,,, chem_shift_reference,chemical_shift_reference,6006,237635,1,,,,,,, chem_shift_reference,chemical_shift_reference,6007,237650,1,,,,,,, chem_shift_reference,chemical_shift_reference,6008,237666,1,,,,,,, chem_shift_reference,chemical_shift_reference,6009,237688,1,,,,,,,"The chemical shifts of HDO referenced to TSP were first determined at different temperatures, and then HDO was used as reference for real samples." chem_shift_reference,chemical_shift_reference,6010,237712,1,,,,,,, chem_shift_reference,chemical_shift_reference,6011,237730,1,,,,,,, chem_shift_reference,chemical_shift_reference,6012,237749,1,,,,,,, chem_shift_reference,chemical_shift_reference,6013,237766,1,,,,,,, chem_shift_reference,chemical_shift_reference,6014,237792,1,,,,,,, chem_shift_reference,chemical_shift_reference,6015,237819,1,,,,,,, chem_shift_reference,chemical_shift_reference,6016,237842,1,,,,,,,"Chemical shift reference was calibrated based on the proton chemical shift of an external standard." chem_shift_reference,chemical_shift_reference,6017,237858,1,,,,,,, chem_shift_reference,chemical_shift_reference,6018,237872,1,,,,,,, chem_shift_reference,chemical_shift_reference,6019,237888,1,,,,,,, chem_shift_reference,chemical_shift_reference,6020,237905,1,,,,,,, chem_shift_reference,chemical_shift_reference,6021,237924,1,,,,,,, chem_shift_reference,chemical_shift_reference,6022,237946,1,,,,,,, chem_shift_reference,chemical_shift_reference,6023,237972,1,,,,,,, chem_shift_reference,chemical_shift_reference,6024,237991,1,,,,,,, chem_shift_reference,chemical_shift_reference,6025,238023,1,,,,,,, chem_shift_reference,chemical_shift_reference,6026,238056,1,,,,,,, chem_shift_reference,chemical_shift_reference,6027,238082,1,,,,,,, chem_shift_reference,chemical_shift_reference,6028,238110,1,,,,,,, chem_shift_reference,chemical_shift_reference,6029,238136,1,,,,,,, chem_shift_reference,chemical_shift_reference,6030,238155,1,,,,,,, chem_shift_reference,chemical_shift_reference,6031,238175,1,,,,,,, chem_shift_reference,chemical_shift_reference,6032,238204,1,,,,,,, chem_shift_reference,chemical_shift_reference,6033,238223,1,,,,,,, chem_shift_reference,chemical_shift_reference,6034,238240,1,,,,,,, chem_shift_reference,chemical_shift_reference,6035,238275,1,,,,,,, chem_shift_reference,chemical_shift_reference,6037,238292,1,,,,,,, chem_shift_reference,chemical_shift_reference,6038,238311,1,,,,,,, chem_shift_reference,chemical_shift_reference,6039,238334,1,,,,,,, chem_shift_reference,chemical_shift_reference,6040,238354,1,,,,,,, chem_shift_reference,chemical_shift_reference,6041,238371,1,,,,,,, chem_shift_reference,chemical_shift_reference,6043,238415,1,,,,,,, chem_shift_reference,chemical_shift_reference,6044,238429,1,,,,,,, chem_shift_reference,chemical_shift_reference,6045,238446,1,,,,,,, chem_shift_reference,chemical_shift_reference,6046,238460,1,,,,,,, chem_shift_reference,chemical_shift_reference,6047,238477,1,,,,,,, chem_shift_reference,chemical_shift_reference,6048,238499,1,,,,,,, chem_shift_reference,chemical_shift_reference,6049,238526,1,,,,,,, chem_shift_reference,chemical_shift_reference,6050,238547,1,,,,,,, chem_shift_reference,chemical_shift_reference,6051,238571,1,,,,,,, chem_shift_reference,chemical_shift_reference,6052,238594,1,,,,,,, chem_shift_reference,chemical_shift_reference,6053,238615,1,,,,,,, chem_shift_reference,chemical_shift_reference,6054,238631,1,,,,,,, chem_shift_reference,chemical_shift_reference,6055,238664,1,,,,,,, chem_shift_reference,chemical_shift_reference,6056,238688,1,,,,,,, chem_shift_reference,chemical_shift_reference,6057,238705,1,,,,,,, chem_shift_reference,chemical_shift_reference,6058,238729,1,,,,,,, chem_shift_reference,chemical_shift_reference,6059,238752,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,606,238767,1,,,,,,, chem_shift_reference,chemical_shift_reference,6060,238785,1,,,,,,, chem_shift_reference,chemical_shift_reference,6061,238814,1,,,,,,, chem_shift_reference,chemical_shift_reference,6062,238833,1,,,,,,, chem_shift_reference,chemical_shift_reference,6063,238851,1,,,,,,, chem_shift_reference,chemical_shift_reference,6064,238869,1,,,,,,, chem_shift_reference,chemical_shift_reference,6066,238885,1,,,,,,, chem_shift_reference,chemical_shift_reference,6067,238901,1,,,,,,, chem_shift_reference,chemical_shift_reference,6068,238927,1,,,,,,, chem_shift_reference,chemical_shift_reference,6069,238948,1,,,,,,, chem_shift_reference,chemical_shift_reference,6070,238963,1,,,,,,, chem_shift_reference,chemical_shift_reference,6071,238996,1,,,,,,, chem_shift_reference,chemical_shift_reference,6072,239010,1,,,,,,, chem_shift_reference,chemical_shift_reference,6073,239047,1,,,,,,, chem_shift_reference,chemical_shift_reference,6074,239065,1,,,,,,, chem_shift_reference,chemical_shift_reference,6075,239086,1,,,,,,, chem_shift_reference,chemical_shift_reference,6076,239114,1,,,,,,, chem_shift_reference,chemical_shift_reference,6077,239140,1,,,,,,, chem_shift_reference,chemical_shift_reference,6078,239153,1,,,,,,, chem_shift_reference,chemical_shift_reference,6079,239166,1,,,,,,, chem_shift_reference,chemical_shift_reference,6080,239184,1,,,,,,, chem_shift_reference,chemical_shift_reference,6081,239214,1,,,,,,, chem_shift_reference,chemical_shift_reference,6082,239229,1,,,,,,, chem_shift_reference,chemical_shift_reference,6083,239242,1,,,,,,, chem_shift_reference,chemical_shift_reference,6084,239255,1,,,,,,, chem_shift_reference,chemical_shift_reference,6085,239274,1,,,,,,, chem_shift_reference,chemical_shift_reference,6086,239299,1,,,,,,, chem_shift_reference,chemical_shift_reference,6087,239320,1,,,,,,, chem_shift_reference,chemical_shift_reference,6088,239338,1,,,,,,, chem_shift_reference,chemical_shift_reference,6089,239352,1,,,,,,, chem_shift_reference,chemical_shift_reference,6090,239376,1,,,,,,, chem_shift_reference,chemical_shift_reference,6091,239396,1,,,,,,, chem_shift_reference,chemical_shift_reference,6092,239413,1,,,,,,, chem_shift_reference,chemical_shift_reference,6093,239439,1,,,,,,, chem_shift_reference,chemical_shift_reference,6094,239461,1,,,,,,, chem_shift_reference,chemical_shift_reference,6095,239477,1,,,,,,, chem_shift_reference,chemical_shift_reference,6096,239508,1,,,,,,, chem_shift_reference,chemical_shift_reference,6097,239528,1,,,,,,, chem_shift_reference,chemical_shift_reference,6098,239549,1,,,,,,, chem_shift_reference,chemical_shift_reference,6099,239570,1,,,,,,, chem_shift_reference,chemical_shift_reference,6100,239588,1,,,,,,, chem_shift_reference,chemical_shift_reference,6101,239606,1,,,,,,, chem_shift_reference,chemical_shift_reference,6102,239626,1,,,,,,, chem_shift_reference,chemical_shift_reference,6103,239646,1,,,,,,, chem_shift_reference,chemical_shift_reference,6104,239670,1,,,,,,, chem_shift_reference,chemical_shift_reference,6105,239688,1,,,,,,, chem_shift_reference,chemical_shift_reference,6106,239704,1,,,,,,, chem_shift_reference,chemical_shift_reference,6107,239720,1,,,,,,, chem_shift_reference,chemical_shift_reference,6108,239739,1,,,,,,, chem_shift_reference,chemical_shift_reference,6109,239758,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,611,239772,1,,,,,,, chem_shift_reference,chemical_shift_reference,6110,239788,1,,,,,,, chem_shift_reference,chemical_shift_reference,6111,239805,1,,,,,,, chem_shift_reference,chemical_shift_reference,6112,239820,1,,,,,,, chem_shift_reference,chemical_shift_reference,6113,239837,1,,,,,,, chem_shift_reference,chemical_shift_reference,6114,239855,1,,,,,,, chem_shift_reference,chemical_shift_reference,6115,239872,1,,,,,,, chem_shift_reference,chemical_shift_reference,6116,239885,1,,,,,,, chem_shift_reference,chemical_shift_reference,6117,239900,1,,,,,,, chem_shift_reference,chemical_shift_reference,6118,239916,1,,,,,,, chem_shift_reference,chemical_shift_reference,6120,239930,1,,,,,,, chem_shift_reference,chemical_shift_reference,6121,239945,1,,,,,,, chem_shift_reference,chemical_shift_reference,6122,239959,1,,,,,,, chem_shift_reference,chemical_shift_reference,6123,239983,1,,,,,,, chem_shift_reference,chemical_shift_reference,6125,240000,1,,,,,,, chem_shift_reference,chemical_shift_reference,6126,240020,1,,,,,,, chem_shift_reference,chemical_shift_reference,6127,240037,1,,,,,,, chem_shift_reference,chemical_shift_reference,6128,240064,1,,,,,,, chem_shift_reference,chemical_shift_reference,6129,240082,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,613,240095,1,,,,,,, chem_shift_reference,chemical_shift_reference,6130,240111,1,,,,,,, chem_shift_reference,chemical_shift_reference,6131,240131,1,,,,,,, chem_shift_reference,chemical_shift_reference,6132,240151,1,,,,,,, chem_shift_reference,chemical_shift_reference,6133,240167,1,,,,,,, chem_shift_reference,chemical_shift_reference,6134,240183,1,,,,,,, chem_shift_reference,chemical_shift_reference,6135,240199,1,,,,,,, chem_shift_reference,chemical_shift_reference,6136,240216,1,,,,,,, chem_shift_reference,chemical_shift_reference,6137,240231,1,,,,,,, chem_shift_reference,chemical_shift_reference,6138,240244,1,,,,,,, chem_shift_reference,chemical_shift_reference,6139,240265,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,614,240277,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chemical_shift_reference,6140,240292,1,,,,,,, chem_shift_reference,chemical_shift_reference,6141,240307,1,,,,,,, chem_shift_reference,chemical_shift_reference,6142,240320,1,,,,,,, chem_shift_reference,chemical_shift_reference,6143,240333,1,,,,,,, chem_shift_reference,chemical_shift_reference,6144,240356,1,,,,,,, chem_shift_reference,chemical_shift_reference,6145,240382,1,,,,,,, chem_shift_reference,chemical_shift_reference,6146,240413,1,,,,,,, chem_shift_reference,chemical_shift_reference,6147,240431,1,,,,,,, chem_shift_reference,chemical_shift_reference,6148,240445,1,,,,,,, chem_shift_reference,chemical_shift_reference,6149,240460,1,,,,,,, chem_shift_reference,chemical_shift_reference,6150,240477,1,,,,,,, chem_shift_reference,chemical_shift_reference,6151,240496,1,,,,,,, chem_shift_reference,chemical_shift_reference,6152,240512,1,,,,,,, chem_shift_reference,chemical_shift_reference,6154,240528,1,,,,,,, chem_shift_reference,chemical_shift_reference,6155,240544,1,,,,,,, chem_shift_reference,chemical_shift_reference,6156,240562,1,,,,,,, chem_shift_reference,chemical_shift_reference,6157,240579,1,,,,,,, chem_shift_reference,chemical_shift_reference,6158,240597,1,,,,,,, chem_shift_reference,chemical_shift_reference,6159,240613,1,,,,,,, chem_shift_reference,chemical_shift_reference,6160,240628,1,,,,,,, chem_shift_reference,chemical_shift_reference,6161,240644,1,,,,,,, chem_shift_reference,chemical_shift_reference,6162,240660,1,,,,,,, chem_shift_reference,chemical_shift_reference,6163,240675,1,,,,,,, chem_shift_reference,chemical_shift_reference,6165,240693,1,,,,,,, chem_shift_reference,chemical_shift_reference,6166,240711,1,,,,,,, chem_shift_reference,chemical_shift_reference,6167,240736,1,,,,,,, chem_shift_reference,chemical_shift_reference,6168,240754,1,,,,,,, chem_shift_reference,chemical_shift_reference,6169,240770,1,,,,,,, chem_shift_reference,chemical_shift_reference,6170,240786,1,,,,,,, chem_shift_reference,chemical_shift_reference,6171,240803,1,,,,,,, chem_shift_reference,chemical_shift_reference,6172,240825,1,,,,,,, chem_shift_reference,chemical_shift_reference,6173,240849,1,,,,,,, chem_shift_reference,chemical_shift_reference,6174,240874,1,,,,,,, chem_shift_reference,chemical_shift_reference,6175,240891,1,,,,,,, chem_shift_reference,chemical_shift_reference,6176,240929,1,,,,,,, chem_shift_reference,chemical_shift_reference,6177,240957,1,,,,,,, chem_shift_reference,chemical_shift_reference,6178,240976,1,,,,,,, chem_shift_reference,chemical_shift_reference,6179,240992,1,,,,,,, chem_shift_reference,chemical_shift_reference,6180,241008,1,,,,,,, chem_shift_reference,chemical_shift_reference,6181,241021,1,,,,,,, chem_shift_reference,FluA(R95)_chemical_shift_reference,6182,241038,1,,,,,,, chem_shift_reference,chemical_shift_reference,6183,241056,1,,,,,,, chem_shift_reference,chemical_shift_reference,6184,241071,1,,,,,,, chem_shift_reference,chemical_shift_reference,6185,241092,1,,,,,,, chem_shift_reference,chemical_shift_reference,6186,241107,1,,,,,,, chem_shift_reference,chemical_shift_reference,6187,241129,1,,,,,,, chem_shift_reference,chemical_shift_reference,6188,241151,1,,,,,,, chem_shift_reference,chemical_shift_reference,6189,241171,1,,,,,,, chem_shift_reference,chemical_shift_reference,6190,241191,1,,,,,,, chem_shift_reference,chemical_shift_reference,6191,241215,1,,,,,,, chem_shift_reference,chemical_shift_reference,6192,241235,1,,,,,,, chem_shift_reference,chemical_shift_reference,6193,241250,1,,,,,,, chem_shift_reference,chemical_shift_reference,6194,241269,1,,,,,,, chem_shift_reference,chemical_shift_reference,6195,241290,1,,,,,,, chem_shift_reference,chemical_shift_reference,6196,241311,1,,,,,,, chem_shift_reference,chemical_shift_reference,6197,241332,1,,,,,,, chem_shift_reference,chemical_shift_reference,6198,241347,1,,,,,,, chem_shift_reference,chemical_shift_reference,6199,241363,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,62,241376,1,,,,,,, chem_shift_reference,chemical_shift_reference,6200,241391,1,,,,,,, chem_shift_reference,chemical_shift_reference,6201,241406,1,,,,,,, chem_shift_reference,chemical_shift_reference,6202,241432,1,,,,,,, chem_shift_reference,chemical_shift_reference,6203,241451,1,,,,,,, chem_shift_reference,chemical_shift_reference,6204,241472,1,,,,,,, chem_shift_reference,chemical_shift_reference,6205,241495,1,,,,,,, chem_shift_reference,chemical_shift_reference,6207,241510,1,,,,,,, chem_shift_reference,chemical_shift_reference,6208,241533,1,,,,,,, chem_shift_reference,chemical_shift_reference,6209,241555,1,,,,,,, chem_shift_reference,chemical_shift_reference,6210,241576,1,,,,,,, chem_shift_reference,chemical_shift_reference,6211,241606,1,,,,,,, chem_shift_reference,chemical_shift_reference,6212,241624,1,,,,,,, chem_shift_reference,chemical_shift_reference,6214,241639,1,,,,,,, chem_shift_reference,chemical_shift_reference,6216,241663,1,,,,,,, chem_shift_reference,chemical_shift_reference,6219,241725,1,,,,,,, chem_shift_reference,chemical_shift_reference,6220,241747,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,6221,241761,1,,,,,,, chem_shift_reference,chemical_shift_reference,6222,241777,1,,,,,,, chem_shift_reference,chemical_shift_reference,6223,241794,1,,,,,,, chem_shift_reference,chemical_shift_reference,6224,241818,1,,,,,,, chem_shift_reference,chemical_shift_reference,6225,241851,1,,,,,,, chem_shift_reference,chemical_shift_reference,6226,241867,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,6227,241889,1,,,,,,, chem_shift_reference,chemical_shift_reference_2,6227,241890,2,,,,,,, chem_shift_reference,chemical_shift_reference,6228,241905,1,,,,,,, chem_shift_reference,chemical_shift_reference,6229,241932,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,623,241945,1,,,,,,, chem_shift_reference,chemical_shift_reference,6230,241965,1,,,,,,, chem_shift_reference,chemical_shift_reference,6231,241986,1,,,,,,, chem_shift_reference,chemical_shift_reference,6232,242006,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,6233,242025,1,,,,,,, chem_shift_reference,chemical_shift_reference,6234,242039,1,,,,,,,1H: water(shift value 4.5819 at 45 degrees) chem_shift_reference,chemical_shift_reference,6235,242061,1,,,,,,, chem_shift_reference,chemical_shift_reference,6236,242084,1,,,,,,, chem_shift_reference,chemical_shift_reference,6237,242105,1,,,,,,, chem_shift_reference,chemical_shift_reference,6238,242141,1,,,,,,, chem_shift_reference,chemical_shift_reference,6239,242158,1,,,,,,, chem_shift_reference,chemical_shift_reference,6240,242185,1,,,,,,, chem_shift_reference,chemical_shift_reference,6241,242214,1,,,,,,, chem_shift_reference,chemical_shift_reference,6242,242229,1,,,,,,, chem_shift_reference,chemical_shift_reference,6244,242305,1,,,,,,, chem_shift_reference,chemical_shift_reference,6245,242328,1,,,,,,, chem_shift_reference,chemical_shift_reference,6246,242357,1,,,,,,, chem_shift_reference,chemical_shift_reference,6247,242377,1,,,,,,, chem_shift_reference,chemical_shift_reference,6248,242401,1,,,,,,, chem_shift_reference,chemical_shift_reference,6249,242416,1,,,,,,, chem_shift_reference,chemical_shift_reference,6250,242435,1,,,,,,, chem_shift_reference,chemical_shift_reference,6251,242455,1,,,,,,, chem_shift_reference,chemical_shift_reference,6252,242484,1,,,,,,, chem_shift_reference,chemical_shift_reference,6253,242510,1,,,,,,, chem_shift_reference,chemical_shift_reference,6254,242534,1,,,,,,, chem_shift_reference,chemical_shift_reference,6255,242563,1,,,,,,, chem_shift_reference,chemical_shift_reference,6256,242589,1,,,,,,, chem_shift_reference,chemical_shift_reference,6257,242604,1,,,,,,,"The chemical shift reference compound, DSS, was found to bind to the peptide sample, Ab(1-40), in these conditions. To verify the chemical shift reference, an external reference (DSS in a capillary) was added to the sample." chem_shift_reference,chemical_shift_reference,6258,242620,1,,,,,,, chem_shift_reference,chemical_shift_reference,6259,242638,1,,,,,,, chem_shift_reference,chemical_shift_reference,6260,242658,1,,,,,,, chem_shift_reference,chemical_shift_reference,6261,242685,1,,,,,,, chem_shift_reference,chemical_shift_reference,6262,242704,1,,,,,,, chem_shift_reference,chemical_shift_reference,6263,242726,1,,,,,,, chem_shift_reference,chemical_shift_reference,6264,242745,1,,,,,,, chem_shift_reference,chemical_shift_reference,6265,242776,1,,,,,,, chem_shift_reference,chemical_shift_reference,6266,242808,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6267,242833,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6268,242852,1,,,,,,, chem_shift_reference,chemical_shift_reference,6269,242869,1,,,,,,, chem_shift_reference,chemical_shift_reference,6270,242886,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6271,242901,1,,,,,,, chem_shift_reference,chemical_shift_reference,6272,242929,1,,,,,,, chem_shift_reference,chemical_shift_reference,6273,242948,1,,,,,,, chem_shift_reference,chemical_shift_reference,6274,242966,1,,,,,,, chem_shift_reference,chemical_shift_reference,6275,242997,1,,,,,,, chem_shift_reference,chemical_shift_reference,6276,243023,1,,,,,,, chem_shift_reference,chemical_shift_reference,6277,243042,1,,,,,,, chem_shift_reference,chemical_shift_reference,6278,243060,1,,,,,,, chem_shift_reference,chemical_shift_reference,6279,243094,1,,,,,,, chem_shift_reference,chemical_shift_reference,6280,243122,1,,,,,,, chem_shift_reference,chemical_shift_reference,6281,243148,1,,,,,,, chem_shift_reference,chemical_shift_reference,6282,243165,1,,,,,,, chem_shift_reference,chemical_shift_reference,6283,243189,1,,,,,,, chem_shift_reference,chemical_shift_reference,6284,243205,1,,,,,,, chem_shift_reference,chemical_shift_reference,6285,243219,1,,,,,,, chem_shift_reference,chemical_shift_reference,6286,243235,1,,,,,,, chem_shift_reference,chemical_shift_reference,6287,243262,1,,,,,,, chem_shift_reference,chemical_shift_reference,6288,243280,1,,,,,,, chem_shift_reference,chemical_shift_reference,6289,243308,1,,,,,,, chem_shift_reference,chemical_shift_reference,6290,243324,1,,,,,,, chem_shift_reference,chemical_shift_reference,6291,243353,1,,,,,,, chem_shift_reference,chemical_shift_reference,6292,243380,1,,,,,,, chem_shift_reference,chemical_shift_reference,6293,243398,1,,,,,,, chem_shift_reference,chemical_shift_reference,6294,243416,1,,,,,,, chem_shift_reference,chemical_shift_reference,6295,243454,1,,,,,,, chem_shift_reference,chemical_shift_reference,6296,243472,1,,,,,,, chem_shift_reference,chemical_shift_reference,6297,243502,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.698ppm at 298K), and then those of 15N and 13C were calculated based on their gyromagnetic ratios. In the case of 15N, correction value (+1.731ppm) was added to the calculated chemical shift values." chem_shift_reference,chemical_shift_reference,6298,243522,1,,,,,,, chem_shift_reference,chemical_shift_reference,6299,243538,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,63,243551,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,630,243567,1,,,,,,, chem_shift_reference,chemical_shift_reference,6300,243587,1,,,,,,, chem_shift_reference,chemical_shift_reference,6301,243614,1,,,,,,, chem_shift_reference,chemical_shift_reference,6302,243636,1,,,,,,, chem_shift_reference,chemical_shift_reference,6303,243657,1,,,,,,, chem_shift_reference,chemical_shift_reference,6304,243676,1,,,,,,, chem_shift_reference,chemical_shift_reference,6305,243697,1,,,,,,, chem_shift_reference,chemical_shift_reference,6306,243712,1,,,,,,, chem_shift_reference,chemical_shift_reference,6307,243732,1,,,,,,, chem_shift_reference,chemical_shift_reference,6308,243749,1,,,,,,, chem_shift_reference,chemical_shift_reference,6309,243762,1,,,,,,, chem_shift_reference,chemical_shift_reference,6310,243775,1,,,,,,, chem_shift_reference,chemical_shift_reference,6311,243801,1,,,,,,, chem_shift_reference,chemical_shift_reference,6312,243819,1,,,,,,, chem_shift_reference,chemical_shift_reference,6313,243840,1,,,,,,, chem_shift_reference,chemical_shift_reference,6314,243865,1,,,,,,, chem_shift_reference,chemical_shift_reference,6315,243878,1,,,,,,, chem_shift_reference,chemical_shift_reference,6317,243891,1,,,,,,, chem_shift_reference,chemical_shift_reference,6318,243929,1,,,,,,, chem_shift_reference,chemical_shift_reference,6319,243944,1,,,,,,, chem_shift_reference,chemical_shift_reference,6320,243969,1,,,,,,, chem_shift_reference,chemical_shift_reference,6321,243983,1,,,,,,, chem_shift_reference,chemical_shift_reference,6322,244009,1,,,,,,, chem_shift_reference,chemical_shift_reference,6324,244035,1,,,,,,, chem_shift_reference,chemical_shift_reference,6325,244057,1,,,,,,, chem_shift_reference,chemical_shift_reference,6326,244080,1,,,,,,, chem_shift_reference,chemical_shift_reference,6327,244102,1,,,,,,, chem_shift_reference,chemical_shift_reference,6328,244125,1,,,,,,, chem_shift_reference,chemical_shift_reference,6329,244149,1,,,,,,, chem_shift_reference,chemical_shift_reference,6330,244166,1,,,,,,, chem_shift_reference,chemical_shift_reference,6331,244195,1,,,,,,, chem_shift_reference,chemical_shift_reference,6332,244218,1,,,,,,, chem_shift_reference,chemical_shift_reference,6333,244243,1,,,,,,,"D.S. Wishart et al. J. Biomol. NMR, 6 (1995), 135-140" chem_shift_reference,chemical_shift_reference,6334,244267,1,,,,,,, chem_shift_reference,chemical_shift_reference,6335,244283,1,,,,,,, chem_shift_reference,chemical_shift_reference,6336,244302,1,,,,,,, chem_shift_reference,chemical_shift_reference,6337,244323,1,,,,,,, chem_shift_reference,chemical_shift_reference,6338,244343,1,,,,,,, chem_shift_reference,chemical_shift_reference,6339,244364,1,,,,,,, chem_shift_reference,chemical_shift_reference,6340,244385,1,,,,,,, chem_shift_reference,chemical_shift_reference,6341,244407,1,,,,,,, chem_shift_reference,chemical_shift_reference,6342,244429,1,,,,,,, chem_shift_reference,chemical_shift_reference,6343,244447,1,,,,,,, chem_shift_reference,chemical_shift_reference,6344,244462,1,,,,,,, chem_shift_reference,chemical_shift_reference,6345,244491,1,,,,,,, chem_shift_reference,chemical_shift_reference,6346,244523,1,,,,,,, chem_shift_reference,chemical_shift_reference,6347,244540,1,,,,,,, chem_shift_reference,chemical_shift_reference,6348,244558,1,,,,,,, chem_shift_reference,chemical_shift_reference,6349,244581,1,,,,,,, chem_shift_reference,chemical_shift_reference,6350,244603,1,,,,,,, chem_shift_reference,chemical_shift_reference,6351,244617,1,,,,,,, chem_shift_reference,chemical_shift_reference,6352,244642,1,,,,,,, chem_shift_reference,chemical_shift_reference,6353,244657,1,,,,,,, chem_shift_reference,chemical_shift_reference,6354,244674,1,,,,,,, chem_shift_reference,chemical_shift_reference,6355,244704,1,,,,,,, chem_shift_reference,chemical_shift_reference,6356,244733,1,,,,,,, chem_shift_reference,chemical_shift_reference,6357,244759,1,,,,,,, chem_shift_reference,chemical_shift_reference,6358,244795,1,,,,,,, chem_shift_reference,chemical_shift_reference,6359,244809,1,,,,,,, chem_shift_reference,chemical_shift_reference,6360,244831,1,,,,,,, chem_shift_reference,chemical_shift_reference,6361,244854,1,,,,,,, chem_shift_reference,chemical_shift_reference,6362,244886,1,,,,,,, chem_shift_reference,chemical_shift_reference,6363,244900,1,,,,,,, chem_shift_reference,chemical_shift_reference,6364,244921,1,,,,,,, chem_shift_reference,chemical_shift_reference,6365,244935,1,,,,,,, chem_shift_reference,chemical_shift_reference,6366,244957,1,,,,,,, chem_shift_reference,chemical_shift_reference,6367,244979,1,,,,,,, chem_shift_reference,chemical_shift_reference,6368,244998,1,,,,,,, chem_shift_reference,chemical_shift_reference,6369,245016,1,,,,,,, chem_shift_reference,chemical_shift_reference,6370,245032,1,,,,,,, chem_shift_reference,chemical_shift_reference,6371,245060,1,,,,,,, chem_shift_reference,chemical_shift_reference,6372,245090,1,,,,,,, chem_shift_reference,chemical_shift_reference,6373,245110,1,,,,,,, chem_shift_reference,chemical_shift_reference,6374,245133,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6375,245170,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6376,245186,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6377,245201,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6378,245214,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6379,245237,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6380,245250,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6381,245263,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6382,245277,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6383,245290,1,,,,,,, chem_shift_reference,chemical_shift_reference,6384,245309,1,,,,,,, chem_shift_reference,chemical_shift_reference,6385,245336,1,,,,,,, chem_shift_reference,chemical_shift_reference,6386,245355,1,,,,,,, chem_shift_reference,chemical_shift_reference,6387,245372,1,,,,,,, chem_shift_reference,chemical_shift_reference,6388,245392,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6389,245406,1,,,,,,, chem_shift_reference,chemical_shift_reference,6390,245423,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6391,245455,1,,,,,,, chem_shift_reference,chemical_shift_reference,6392,245477,1,,,,,,, chem_shift_reference,chemical_shift_reference,6393,245500,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6395,245531,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6396,245547,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6398,245568,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6399,245597,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,64,245610,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6400,245635,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6401,245661,1,,,,,,, chem_shift_reference,chemical_shift_reference,6402,245674,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6403,245689,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6404,245709,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6405,245725,1,,,,,,, chem_shift_reference,chemical_shift_reference,6406,245763,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6407,245783,1,,,,,,, chem_shift_reference,chemical_shift_reference,6408,245806,1,,,,,,, chem_shift_reference,chemical_shift_reference,6409,245829,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6410,245865,1,,,,,,, chem_shift_reference,chemical_shift_reference,6411,245882,1,,,,,,, chem_shift_reference,chemical_shift_reference,6412,245902,1,,,,,,, chem_shift_reference,chemical_shift_reference,6413,245922,1,,,,,,, chem_shift_reference,chemical_shift_reference,6414,245944,1,,,,,,, chem_shift_reference,chemical_shift_reference,6415,245967,1,,,,,,, chem_shift_reference,chemical_shift_reference,6416,246018,1,,,,,,, chem_shift_reference,chemical_shift_reference,6418,246050,1,,,,,,,"Chemical shift reference of 1H was based on the proton of water (4.800 ppm at 293 K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios." chem_shift_reference,chemical_shift_reference,6419,246068,1,,,,,,, chem_shift_reference,chemical_shift_reference,6420,246091,1,,,,,,, chem_shift_reference,chemical_shift_reference,6421,246108,1,,,,,,, chem_shift_reference,chemical_shift_reference,6422,246125,1,,,,,,, chem_shift_reference,chemical_shift_reference,6423,246143,1,,,,,,, chem_shift_reference,chemical_shift_reference,6424,246159,1,,,,,,, chem_shift_reference,chemical_shift_reference,6425,246176,1,,,,,,, chem_shift_reference,chemical_shift_reference,6426,246193,1,,,,,,, chem_shift_reference,chemical_shift_reference,6427,246226,1,,,,,,, chem_shift_reference,chemical_shift_reference,6428,246245,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6429,246273,1,,,,,,, chem_shift_reference,chemical_shift_reference,6430,246302,1,,,,,,, chem_shift_reference,chemical_shift_reference,6431,246327,1,,,,,,, chem_shift_reference,chemical_shift_reference,6432,246352,1,,,,,,, chem_shift_reference,chemical_shift_reference,6433,246374,1,,,,,,, chem_shift_reference,chemical_shift_reference,6434,246392,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6436,246415,1,,,,,,, chem_shift_reference,chemical_shift_reference,6437,246433,1,,,,,,, chem_shift_reference,chemical_shift_reference,6438,246466,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6439,246494,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,644,246507,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6440,246528,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6441,246546,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6442,246558,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6443,246585,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6444,246607,1,,,,,,, chem_shift_reference,chemical_shift_reference,6445,246633,1,,,,,,, chem_shift_reference,chemical_shift_reference,6446,246657,1,,,,,,, chem_shift_reference,chemical_shift_reference,6447,246677,1,,,,,,, chem_shift_reference,chemical_shift_reference,6448,246722,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6449,246751,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,645,246767,1,,,,,,, chem_shift_reference,chemical_shift_reference,6451,246783,1,,,,,,, chem_shift_reference,chemical_shift_reference,6452,246806,1,,,,,,, chem_shift_reference,chemical_shift_reference,6453,246833,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6454,246849,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6455,246863,1,,,,,,, chem_shift_reference,chemical_shift_reference,6456,246892,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6457,246907,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6458,246921,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6459,246951,1,,,,,,, chem_shift_reference,chemical_shift_reference,6460,246978,1,,,,,,, chem_shift_reference,chemical_shift_reference,6462,246995,1,,,,,,, chem_shift_reference,chemical_shift_reference,6463,247010,1,,,,,,, chem_shift_reference,chemical_shift_reference,6464,247033,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6465,247060,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6466,247081,1,,,,,,, chem_shift_reference,chemical_shift_reference,6467,247104,1,,,,,,, chem_shift_reference,chemical_shift_reference,6468,247124,1,,,,,,, chem_shift_reference,ref,6469,247147,1,,,,,,, chem_shift_reference,chemical_shift_reference,6473,247179,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6475,247229,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6476,247252,1,,,,,,, chem_shift_reference,chemical_shift_reference,6477,247290,1,,,,,,, chem_shift_reference,chemical_shift_reference,6478,247307,1,,,,,,, chem_shift_reference,chemical_shift_reference,6479,247343,1,,,,,,, chem_shift_reference,chemical_shift_reference,6480,247373,1,,,,,,, chem_shift_reference,chemical_shift_reference,6481,247400,1,,,,,,, chem_shift_reference,chemical_shift_reference,6482,247429,1,,,,,,, chem_shift_reference,chemical_shift_reference,6483,247456,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6484,247487,1,,,,,,, chem_shift_reference,chemical_shift_reference,6485,247506,1,,,,,,, chem_shift_reference,reference_1,6489,247548,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6493,247563,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6494,247585,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6495,247610,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6496,247634,1,,,,,,, chem_shift_reference,chemical_shift_reference,6498,247658,1,,,,,,, chem_shift_reference,chemical_shift_reference,6499,247676,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,65,247690,1,,,,,,, chem_shift_reference,chemical_shift_reference,6500,247709,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6501,247722,1,,,,,,, chem_shift_reference,reference_1,6502,247733,1,,,,,,, chem_shift_reference,chemical_shift_reference,6503,247764,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6504,247778,1,,,,,,, chem_shift_reference,chemical_shift_reference,6505,247817,1,,,,,,, chem_shift_reference,chemical_shift_reference,6506,247839,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,6507,247862,1,,,,,,, chem_shift_reference,chemical_shift_ref_1,6508,247884,1,,,,,,, chem_shift_reference,chemical_shift_reference,6509,247910,1,,,,,,, chem_shift_reference,chemical_shift_reference,6510,247927,1,,,,,,, chem_shift_reference,chemical_shift_reference,6511,247944,1,,,,,,, chem_shift_reference,chemical_shift_reference,6512,247968,1,,,,,,, chem_shift_reference,chemical_shift_reference,6513,247992,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6514,248006,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6515,248029,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6516,248048,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6517,248062,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6518,248078,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6519,248093,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6520,248106,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6521,248124,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6522,248141,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6524,248165,1,,,,,,,DSS for proton chemical shift reference chem_shift_reference,chemical_shift_referencing,6525,248178,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6526,248191,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6527,248207,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6528,248227,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6529,248252,1,,,,,,,"All spectra were referenced to H20 at 4.7 ppm at 303K. 15N and 13C were referenced according to the magnetogyric ratios 13C/1H=0.25144953 and 15N/1H=0.101329118 [Wishart, 1995]." chem_shift_reference,chem_shift_reference_par_set_one,653,248265,1,,,,,,, chem_shift_reference,chemical_shift_reference,6530,248289,1,,,,,,, chem_shift_reference,chemical_shift_reference,6531,248309,1,,,,,,, chem_shift_reference,chemical_shift_reference,6532,248327,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6533,248345,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6535,248362,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6536,248377,1,,,,,,, chem_shift_reference,normal_reference,6537,248393,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6538,248406,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6539,248426,1,,,,,,, chem_shift_reference,chemical_shift_reference,6540,248471,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6541,248486,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6542,248499,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6543,248517,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6546,248531,1,,,,,,, chem_shift_reference,chemical_shift_reference,6547,248554,1,,,,,,, chem_shift_reference,chemical_shift_reference,6549,248568,1,,,,,,, chem_shift_reference,chemical_shift_reference,6551,248594,1,,,,,,, chem_shift_reference,chemical_shift_reference,6552,248621,1,,,,,,, chem_shift_reference,chemical_shift_reference,6553,248648,1,,,,,,, chem_shift_reference,chemical_shift_reference,6554,248669,1,,,,,,, chem_shift_reference,chemical_shift_reference,6555,248690,1,,,,,,, chem_shift_reference,chemical_shift_reference,6556,248716,1,,,,,,, chem_shift_reference,chemical_shift_reference,6557,248737,1,,,,,,, chem_shift_reference,chemical_shift_reference,6558,248762,1,,,,,,, chem_shift_reference,chemical_shift_reference,6559,248788,1,,,,,,, chem_shift_reference,chemical_shift_reference,6560,248814,1,,,,,,, chem_shift_reference,chemical_shift_reference,6561,248834,1,,,,,,, chem_shift_reference,chemical_shift_reference,6562,248873,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6563,248889,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6564,248907,1,,,,,,, chem_shift_reference,reference_1,6565,248923,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6566,248938,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6567,248954,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6568,248969,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6569,248985,1,,,,,,, chem_shift_reference,chemical_shift_reference,6570,249017,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6571,249035,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6572,249050,1,,,,,,, chem_shift_reference,chemical_shift_reference,6573,249069,1,,,,,,, chem_shift_reference,chemical_shift_reference,6574,249098,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6575,249109,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6576,249127,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6577,249162,1,,,,,,,"No compounds were used for C13 and N15 referencing. Referencing was performed using the indirect referencing procedure reported by Wishart et al. 1995 J. Biomol. NMR 6(2) 135-140." chem_shift_reference,chemical_shift_referencing,6578,249185,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6579,249201,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6580,249222,1,,,,,,, chem_shift_reference,chemical_shift_reference,6581,249256,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6582,249278,1,,,,,,,DSS used as an external reference standard chem_shift_reference,chemical_shift_referencing,6583,249294,1,,,,,,, chem_shift_reference,chemical_shift_reference,6584,249315,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6585,249338,1,,,,,,, chem_shift_reference,chemical_shift_reference,6586,249364,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6587,249377,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6588,249389,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6589,249403,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6590,249426,1,,,,,,, chem_shift_reference,chemical_shift_reference,6591,249455,1,,,,,,, chem_shift_reference,Chromo-2_domain_shifts,6592,249469,1,,,,,,, chem_shift_reference,CD3_chemical_shifts,6593,249484,1,,,,,,, chem_shift_reference,chemical_shift_reference,6594,249510,1,,,,,,, chem_shift_reference,chemical_shift_reference,6596,249527,1,,,,,,, chem_shift_reference,chemical_shift_reference,6597,249556,1,,,,,,, chem_shift_reference,chemical_shift_reference,6598,249573,1,,,,,,, chem_shift_reference,chemical_shift_reference,6599,249596,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,66,249610,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,660,249623,1,,,,,,, chem_shift_reference,chemical_shift_reference,6600,249643,1,,,,,,, chem_shift_reference,chemical_shift_reference,6601,249659,1,,,,,,, chem_shift_reference,Chemical_shift_reference_set,6602,249683,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6603,249695,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6604,249713,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6605,249736,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6606,249753,1,,,,,,, chem_shift_reference,chemical_shift_reference,6607,249767,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6608,249780,1,,,,,,, chem_shift_reference,chemical_shift_reference,6609,249802,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,661,249815,1,,,,,,, chem_shift_reference,cs_ref_label,6610,249828,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6611,249845,1,,,,,,, chem_shift_reference,chemical_shift_reference,6612,249862,1,,,,,,, chem_shift_reference,chemical_shift_reference,6613,249884,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6615,249898,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6616,249916,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6617,249932,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6618,249950,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6619,249968,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,662,249981,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6620,250013,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6621,250028,1,,,,,,, chem_shift_reference,chemical_shift_reference,6622,250043,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6623,250058,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6624,250077,1,,,,,,,"1H,13C,15N chemical shifts indirectly referenced to DSS" chem_shift_reference,chemical_shift_referencing,6625,250090,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6626,250121,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6627,250137,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6628,250153,1,,,,,,, chem_shift_reference,chemical_shift_reference,6629,250170,1,,,,,,, chem_shift_reference,chemical_shift_reference,6631,250190,1,,,,,,, chem_shift_reference,chemical_shift_reference,6633,250220,1,,,,,,, chem_shift_reference,chemical_shift_reference,6634,250240,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6635,250263,1,,,,,,,"1H,13C,15N chemical shifts indirectly referenced to DSS" chem_shift_reference,chemical_shift_referencing,6636,250283,1,,,,,,, chem_shift_reference,chemical_shift_reference,6637,250308,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6638,250322,1,,,,,,, chem_shift_reference,chemical_shift_reference,6639,250347,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,664,250363,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6640,250394,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6642,250407,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6643,250420,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6644,250433,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6645,250447,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6646,250461,1,,,,,,, chem_shift_reference,chemical_shift_reference,6647,250487,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6648,250519,1,,,,,,, chem_shift_reference,chemical_shift_reference,6649,250539,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,665,250555,1,,,,,,, chem_shift_reference,DSS,6650,250579,1,,,,,,, chem_shift_reference,DSS,6651,250603,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6652,250621,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6653,250647,1,,,,,,, chem_shift_reference,chemical_shift_reference,6654,250662,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6655,250700,1,,,,,,, chem_shift_reference,chemical_shift_reference,6656,250726,1,,,,,,, chem_shift_reference,chemical_shift_reference,6657,250749,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,6658,250774,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6659,250790,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,666,250803,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6660,250819,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6661,250835,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6662,250851,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6663,250867,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6664,250883,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6665,250899,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6666,250915,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6667,250931,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6668,250947,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6669,250963,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,667,250979,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6670,250995,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6671,251011,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6672,251027,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6673,251043,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6674,251059,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6675,251075,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6676,251091,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6677,251107,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6678,251123,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6679,251139,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,668,251152,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6680,251167,1,,,,,,, chem_shift_reference,chemical_shift_reference,6681,251187,1,,,,,,,"All spectra were referenced internally to the residual 1H signal of F3CCDHOD, resonating at 3.98 ppm and TSP at 0 ppm where necessary." chem_shift_reference,chemical_shift_reference,6682,251221,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6683,251240,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6685,251257,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6686,251277,1,,,,,,, chem_shift_reference,chemical_shift_reference,6687,251302,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6688,251330,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6689,251348,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6690,251381,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6691,251411,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6692,251429,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6693,251485,1,,,,,,, chem_shift_reference,reference_1,6695,251510,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6696,251539,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6698,251552,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6699,251574,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6700,251589,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6702,251602,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6705,251618,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6707,251642,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6709,251659,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6710,251674,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6711,251692,1,,,,,,,"Referenced 1H to water, used PSSI to reference 13C and 15N PSSI is used to get the chemical shift offsets for the indirect referencing" chem_shift_reference,chemical_shift_referencing,6712,251706,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6713,251721,1,,,,,,, chem_shift_reference,chemical_shift_reference,6714,251740,1,,,,,,, chem_shift_reference,chemical_shift_reference,6715,251759,1,,,,,,, chem_shift_reference,chemical_shift_reference,6716,251778,1,,,,,,, chem_shift_reference,chemical_shift_reference,6717,251814,1,,,,,,, chem_shift_reference,chemical_shift_reference,6718,251842,1,,,,,,,Wishart et al. chem_shift_reference,chemical_shift_reference,6719,251865,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,672,251882,1,,,,,,, chem_shift_reference,chemical_shift_reference,6720,251904,1,,,,,,, chem_shift_reference,chemical_shift_reference,6721,251920,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6722,251934,1,,,,,,, chem_shift_reference,chemical_shift_reference,6723,251967,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6724,251986,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6725,252001,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6726,252017,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6727,252032,1,,,,,,, chem_shift_reference,chemical_shift_reference,6728,252048,1,,,,,,,"Chemical shift reference for carbon based on Tsp (0ppm). JMR 67(1986),565-569. Chemical shift reference for 1H based on water resonance at experimental temperature." chem_shift_reference,chemical_shift_referencing,6729,252064,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,673,252080,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6730,252090,1,,,,,,, chem_shift_reference,chemical_shift_reference,6731,252104,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6732,252116,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6733,252134,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6734,252148,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6735,252162,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6736,252176,1,,,,,,, chem_shift_reference,chemical_shift_reference,6737,252192,1,,,,,,, chem_shift_reference,chemical_shift_reference,6738,252213,1,,,,,,, chem_shift_reference,chemical_shift_reference,6739,252234,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,674,252247,1,,,,,,, chem_shift_reference,chemical_shift_reference,6740,252266,1,,,,,,, chem_shift_reference,chemical_shift_reference,6741,252289,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6742,252303,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6743,252316,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6744,252332,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6745,252347,1,,,,,,, chem_shift_reference,chemical_shift_reference,6746,252373,1,,,,,,, chem_shift_reference,chemical_shift_reference,6747,252404,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6748,252416,1,,,,,,, chem_shift_reference,reference_1,6749,252432,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6750,252444,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6751,252459,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6752,252473,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6753,252487,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6754,252500,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6755,252513,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6756,252532,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6757,252555,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6758,252588,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6759,252608,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,676,252621,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6760,252640,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6761,252656,1,,,,,,, chem_shift_reference,chemical_shift_reference,6762,252685,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6763,252705,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6766,252736,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6769,252765,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,677,252778,1,,,,,,, chem_shift_reference,chemical_shift_reference,6771,252806,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6774,252819,1,,,,,,,referenced to DSS chem_shift_reference,chemical_shift_referencing,6775,252833,1,,,,,,,referenced to DSS chem_shift_reference,chemical_shift_referencing,6776,252863,1,,,,,,, chem_shift_reference,chemical_shift_reference,6777,252886,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6778,252905,1,,,,,,, chem_shift_reference,chemical_shift_reference,6779,252922,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6780,252935,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6781,252948,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6782,252992,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6783,253005,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6784,253030,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6785,253063,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6786,253085,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6787,253101,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6788,253127,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6789,253144,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6790,253184,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6791,253201,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6792,253218,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6793,253231,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6794,253250,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6796,253277,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6797,253292,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6798,253308,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6799,253320,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,68,253333,1,,,,,,, chem_shift_reference,chemical_shift_reference,6800,253348,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6801,253374,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6802,253388,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6803,253400,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6804,253417,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6805,253434,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6806,253453,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6807,253469,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6808,253481,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6809,253497,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6810,253531,1,,,,,,, chem_shift_reference,chemical_shift_reference,6811,253553,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6812,253566,1,,,,,,, chem_shift_reference,chemical_shift_reference,6814,253596,1,,,,,,, chem_shift_reference,chemical_shift_reference,6815,253614,1,,,,,,, chem_shift_reference,chemical_shift_reference,6816,253639,1,,,,,,, chem_shift_reference,chemical_shift_reference,6817,253660,1,,,,,,, chem_shift_reference,chemical_shift_reference,6818,253677,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,682,253690,1,,,,,,, chem_shift_reference,chemical_shift_reference,6820,253716,1,,,,,,, chem_shift_reference,chemical_shift_reference,6821,253748,1,,,,,,, chem_shift_reference,chemical_shift_reference,6822,253772,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6823,253807,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6824,253829,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6825,253844,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6826,253869,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6827,253883,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6828,253898,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6829,253931,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6830,253945,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6831,253960,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6832,253984,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6833,254002,1,,,,,,, chem_shift_reference,chemical_shift_reference,6834,254040,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6835,254055,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6836,254075,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6837,254100,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6838,254145,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6839,254171,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6924,255667,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6925,255680,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6840,254192,1,,,,,,,"The water chemical shift was calibrated relative to DSS, taking into account the temperature, pH and ionic strength dependence of water as reported by Wishart et al. J. Biomol. NMR 6, 135 (1995)." chem_shift_reference,chemical_shift_reference,6841,254214,1,,,,,,, chem_shift_reference,chemical_shift_reference,6843,254241,1,,,,,,, chem_shift_reference,chemical_shift_reference,6844,254261,1,,,,,,, chem_shift_reference,chemical_shift_reference,6845,254286,1,,,,,,, chem_shift_reference,chemical_shift_reference,6846,254309,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6847,254321,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6849,254336,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6850,254355,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6851,254375,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6853,254387,1,,,,,,,"Wishart et al. (1995) J. Biomol. NMR 6, 135-140." chem_shift_reference,chemical_shift_referencing,6854,254410,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6855,254427,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6856,254444,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6857,254468,1,,,,,,,"The 13C chemical shifts were referenced indiretly to TPS using the shift ratio 0.25144954." chem_shift_reference,chemical_shift_referencing,6858,254488,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6859,254506,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6860,254536,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6861,254551,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6862,254568,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6863,254584,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6864,254598,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6865,254620,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6866,254642,1,,,,,,, chem_shift_reference,chemical_shift_reference,6867,254669,1,,,,,,, chem_shift_reference,chemical_shift_reference,6868,254691,1,,,,,,, chem_shift_reference,chemical_shift_reference,6869,254722,1,,,,,,, chem_shift_reference,chemical_shift_reference,6870,254742,1,,,,,,, chem_shift_reference,chemical_shift_reference,6872,254759,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6873,254774,1,,,,,,, chem_shift_reference,chemical_shift_reference,6874,254799,1,,,,,,, chem_shift_reference,chemical_shift_reference,6875,254828,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6876,254849,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6877,254866,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6878,254879,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6879,254900,1,,,,,,, chem_shift_reference,chemical_shift_reference,6880,254914,1,,,,,,, chem_shift_reference,chemical_shift_reference,6881,254943,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6882,254969,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6883,254985,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6884,254999,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6885,255014,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6886,255027,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6888,255048,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6890,255084,1,,,,,,, chem_shift_reference,chemical_shift_reference,6891,255104,1,,,,,,, chem_shift_reference,chemical_shift_reference,6892,255125,1,,,,,,, chem_shift_reference,chemical_shift_reference,6893,255140,1,,,,,,, chem_shift_reference,chemical_shift_reference,6894,255159,1,,,,,,, chem_shift_reference,chemical_shift_reference,6895,255189,1,,,,,,, chem_shift_reference,chemical_shift_reference,6896,255209,1,,,,,,, chem_shift_reference,chemical_shift_reference,6897,255227,1,,,,,,, chem_shift_reference,chemical_shift_reference,6898,255247,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6899,255261,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6900,255292,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6901,255304,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6902,255326,1,,,,,,, chem_shift_reference,chemical_shift_reference,6903,255342,1,,,,,,, chem_shift_reference,chemical_shift_reference,6904,255361,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6905,255378,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6906,255394,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6907,255407,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6908,255420,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6909,255436,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6910,255451,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6911,255467,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6912,255481,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6913,255495,1,,,,,,, chem_shift_reference,chemical_shift_reference,6914,255512,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6915,255528,1,,,,,,, chem_shift_reference,chemical_shift_reference,6916,255548,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6917,255561,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6918,255576,1,,,,,,, chem_shift_reference,TSP,6919,255593,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6920,255607,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6921,255622,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6922,255635,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6923,255650,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6926,255692,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6927,255705,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6928,255723,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6929,255742,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6930,255758,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6932,255770,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6933,255789,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6934,255804,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6935,255819,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6936,255837,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6938,255853,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6939,255868,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6940,255883,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6941,255899,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6942,255913,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6943,255927,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6944,255944,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6945,255957,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6946,255974,1,,,,,,, chem_shift_reference,reference_1,6947,255994,1,,,,,,, chem_shift_reference,reference_1,6948,256009,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6949,256021,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,695,256034,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6950,256046,1,,,,,,, chem_shift_reference,chemical_shift_reference,6951,256064,1,,,,,,, chem_shift_reference,chemical_shift_reference,6952,256082,1,,,,,,, chem_shift_reference,chemical_shift_reference,6953,256097,1,,,,,,, chem_shift_reference,chemical_shift_reference,6954,256111,1,,,,,,, chem_shift_reference,chemical_shift_reference,6955,256129,1,,,,,,, chem_shift_reference,chemical_shift_reference,6956,256145,1,,,,,,, chem_shift_reference,chemical_shift_reference,6957,256167,1,,,,,,, chem_shift_reference,chemical_shift_reference,6960,256185,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6962,256209,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6963,256222,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6964,256238,1,,,,,,, chem_shift_reference,chemical_shift_reference,6965,256259,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6966,256276,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6967,256293,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6968,256308,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6969,256321,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6970,256340,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6971,256354,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6972,256368,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6973,256382,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6974,256396,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6975,256407,1,,,,,,, chem_shift_reference,chemical_shift_reference,6976,256427,1,,,,,,, chem_shift_reference,chemical_shift_reference,6979,256447,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6980,256464,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6981,256475,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6982,256493,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6983,256511,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6984,256526,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6985,256546,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6986,256562,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6987,256580,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6988,256594,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6989,256611,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,699,256624,1,,,,,,, chem_shift_reference,chemical_shift_referencing,6990,256640,1,,,,,,, chem_shift_reference,TMS,6991,256656,1,,,,,,,"Carbon and Nitrogen dimension was referenced based of gyromagnetic ratio relativity of these nuclei and proton." chem_shift_reference,chemical_shift_referencing,6992,256677,1,,,,,,, chem_shift_reference,TMS,6993,256694,1,,,,,,,"Carbon and Nitrogen dimension was referenced based of gyromagnetic ratio relativity of these nuclei and proton." chem_shift_reference,chemical_shift_referencing,6995,256713,1,,,,,,, chem_shift_reference,TMS,6996,256730,1,,,,,,,"Carbon and Nitrogen dimension was referenced based of gyromagnetic ratio relativity of these nuclei and proton." chem_shift_reference,chemical_shift_referencing,6997,256748,1,,,,,,, chem_shift_reference,TMS,6998,256765,1,,,,,,,"Carbon and Nitrogen dimension was referenced based of gyromagnetic ratio relativity of these nuclei and proton." chem_shift_reference,chemical_shift_referencing,6999,256780,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,7,256793,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,700,256806,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7000,256819,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7001,256836,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7002,256848,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7003,256860,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7004,256873,1,,,,,,, chem_shift_reference,chemical_shift_reference,7005,256896,1,,,,,,, chem_shift_reference,chemical_shift_reference,7006,256918,1,,,,,,, chem_shift_reference,chemical_shift_reference,7007,256940,1,,,,,,, chem_shift_reference,chemical_shift_reference,7008,256962,1,,,,,,, chem_shift_reference,chemical_shift_reference,7009,256984,1,,,,,,, chem_shift_reference,chemical_shift_reference,7010,257002,1,,,,,,, chem_shift_reference,chemical_shift_reference,7011,257024,1,,,,,,, chem_shift_reference,chemical_shift_reference,7012,257045,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7013,257060,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7014,257073,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7015,257098,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7016,257118,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7017,257136,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7018,257153,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7019,257166,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7020,257180,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7021,257205,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7022,257230,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7023,257260,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7024,257285,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7025,257301,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7028,257316,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7029,257331,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7030,257346,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7031,257361,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7032,257388,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7033,257413,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7034,257431,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7035,257448,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7036,257467,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,704,257482,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7049,257496,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,705,257509,1,,,,,,, chem_shift_reference,reference_1,7050,257524,1,,,,,,, chem_shift_reference,reference_1,7051,257539,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7053,257551,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7054,257570,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7055,257595,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7056,257611,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7057,257636,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7058,257668,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7059,257702,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,706,257715,1,,,,,,, chem_shift_reference,chemical_shift_reference,7061,257732,1,,,,,,, chem_shift_reference,chemical_shift_reference,7063,257766,1,,,,,,, chem_shift_reference,chemical_shift_reference,7064,257785,1,,,,,,, chem_shift_reference,chemical_shift_reference,7065,257801,1,,,,,,, chem_shift_reference,chemical_shift_reference,7066,257831,1,,,,,,, chem_shift_reference,chemical_shift_reference,7067,257848,1,,,,,,, chem_shift_reference,chemical_shift_reference,7068,257878,1,,,,,,, chem_shift_reference,chemical_shift_reference,7069,257905,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,707,257918,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7070,257935,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7071,257957,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7072,257985,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7073,258000,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7074,258024,1,,,,,,, chem_shift_reference,chemical_shift_reference,7075,258051,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7078,258068,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7079,258082,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7080,258114,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7081,258147,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7082,258173,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7083,258188,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7084,258203,1,,,,,,, chem_shift_reference,chemical_shift_reference,7085,258231,1,,,,,,, chem_shift_reference,chemical_shift_reference,7086,258262,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7087,258276,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7088,258293,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7089,258317,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7090,258330,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7091,258342,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7092,258355,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7093,258373,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7094,258387,1,,,,,,, chem_shift_reference,chemical_shift_reference,7095,258411,1,,,,,,, chem_shift_reference,chemical_shift_reference,7097,258432,1,,,,,,, chem_shift_reference,chemical_shift_reference,7098,258462,1,,,,,,, chem_shift_reference,chemical_shift_reference,7099,258484,1,,,,,,, chem_shift_reference,chemical_shift_reference,7101,258504,1,,,,,,, chem_shift_reference,chemical_shift_reference,7102,258524,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7103,258536,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7104,258550,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7105,258565,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7106,258590,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7107,258603,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7108,258616,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7109,258629,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7110,258643,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7111,258663,1,,,,,,,"The spectra were referenced externally to TMS using the 13C adamantane methlene peak at 38.56. The referencing was then readjusted to DSS assuming a 2.0 ppm chemical shift difference between TMS and DSS. Igumenova et al. J. Am. Chem. Soc. 126, 6720 (2004)." chem_shift_reference,chemical_shift_referencing,7112,258680,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7113,258698,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7114,258713,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7115,258727,1,,,,,,, chem_shift_reference,chemical_shift_reference,7116,258746,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7117,258760,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7118,258780,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7119,258797,1,,,,,,, chem_shift_reference,chemical_shift_reference,7120,258817,1,,,,,,, chem_shift_reference,chemical_shift_reference,7121,258837,1,,,,,,, chem_shift_reference,chemical_shift_reference,7122,258856,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7123,258869,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7124,258886,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7125,258902,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7126,258924,1,,,,,,,'setref' macro from VNMR software. Solvent is 'D2O' chem_shift_reference,chemical_shift_referencing,7127,258955,1,,,,,,,Referenced against internal DSS chem_shift_reference,chemical_shift_referencing,7128,258973,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7129,258990,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7130,259002,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7131,259020,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7132,259033,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7133,259047,1,,,,,,, chem_shift_reference,chemical_shift_reference,7134,259063,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7135,259077,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7136,259091,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7137,259107,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7139,259128,1,,,,,,,"'setref' macro from VNMR software, Solvent is 'D2O'" chem_shift_reference,chemical_shift_referencing,7140,259152,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7141,259166,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7142,259178,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7144,259189,1,,,,,,, chem_shift_reference,chemical_shift_reference,7147,259203,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7149,259217,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7150,259238,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7151,259256,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7152,259266,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7153,259281,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7154,259296,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7155,259308,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7156,259324,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7157,259339,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7158,259362,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7159,259376,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7160,259390,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7161,259403,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7162,259419,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7165,259434,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7166,259447,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7167,259464,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7168,259478,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7169,259493,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7170,259513,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7171,259530,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7172,259543,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7173,259555,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7174,259570,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7175,259586,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7176,259598,1,,,,,,, chem_shift_reference,chemical_shift_reference,7177,259616,1,,,,,,, chem_shift_reference,chemical_shift_reference,7178,259639,1,,,,,,, chem_shift_reference,chemical_shift_reference,7179,259655,1,,,,,,, chem_shift_reference,chemical_shift_reference,7180,259674,1,,,,,,, chem_shift_reference,chemical_shift_reference,7181,259694,1,,,,,,, chem_shift_reference,chemical_shift_reference,7182,259713,1,,,,,,, chem_shift_reference,chemical_shift_reference,7184,259731,1,,,,,,, chem_shift_reference,chemical_shift_reference,7185,259747,1,,,,,,, chem_shift_reference,chemical_shift_reference,7186,259766,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7187,259787,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7188,259800,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7189,259816,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7190,259834,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7191,259855,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7192,259870,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7193,259884,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7194,259909,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7196,259926,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7199,259942,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7200,259958,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7201,259974,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7202,259994,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7203,260019,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7204,260044,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7205,260075,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7206,260104,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7207,260129,1,,,,,,,"All 1H dimensions were referenced to internal DSS, whereas 13C, 15N dimensions were indirectly referenced to DSS" chem_shift_reference,chemical_shift_referencing,7208,260147,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7209,260179,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7210,260210,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7211,260233,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7212,260254,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7213,260276,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7214,260298,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7215,260320,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7216,260341,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7218,260364,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7219,260401,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7220,260427,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7221,260459,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7222,260501,1,,,,,,, chem_shift_reference,chemical_shift_reference,7223,260544,1,,,,,,, chem_shift_reference,chemical_shift_reference,7224,260569,1,,,,,,, chem_shift_reference,chemical_shift_reference,7225,260605,1,,,,,,, chem_shift_reference,chemical_shift_reference,7226,260629,1,,,,,,, chem_shift_reference,chemical_shift_reference,7227,260654,1,,,,,,, chem_shift_reference,chemical_shift_reference,7228,260680,1,,,,,,, chem_shift_reference,chemical_shift_reference,7229,260703,1,,,,,,, chem_shift_reference,chemical_shift_reference,7230,260722,1,,,,,,, chem_shift_reference,chemical_shift_reference,7231,260744,1,,,,,,, chem_shift_reference,chemical_shift_reference,7232,260765,1,,,,,,, chem_shift_reference,chemical_shift_reference,7233,260790,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7234,260824,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7235,260848,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7236,260868,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7237,260888,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7238,260908,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7239,260928,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7240,260957,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7241,260973,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7242,261001,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7243,261021,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7244,261035,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7245,261057,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7246,261077,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7247,261106,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7248,261126,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7249,261154,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7250,261172,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7251,261190,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7252,261208,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7253,261226,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7254,261244,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7255,261262,1,,,,,,, chem_shift_reference,chemical_shift_reference,7256,261288,1,,,,,,, chem_shift_reference,chemical_shift_reference,7257,261309,1,,,,,,, chem_shift_reference,chemical_shift_reference,7258,261325,1,,,,,,, chem_shift_reference,chemical_shift_reference,7259,261345,1,,,,,,, chem_shift_reference,chemical_shift_reference,7260,261384,1,,,,,,, chem_shift_reference,chemical_shift_reference,7261,261415,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7262,261436,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7263,261455,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7264,261478,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7266,261503,1,,,,,,,referenced to external DSS chem_shift_reference,chemical_shift_referencing,7268,261516,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7269,261530,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7270,261544,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7271,261568,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7272,261596,1,,,,,,, chem_shift_reference,chemical_shift_reference,7273,261611,1,,,,,,, chem_shift_reference,chemical_shift_reference,7274,261652,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7276,261700,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7277,261714,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7278,261728,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7279,261743,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7280,261757,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7281,261780,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7282,261795,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7283,261809,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7284,261823,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7285,261849,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7286,261878,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7287,261905,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7288,261925,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7289,261946,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7290,261963,1,,,,,,, chem_shift_reference,chemical_shift_reference,7291,261987,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7292,262008,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7293,262029,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7294,262055,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7295,262080,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7296,262102,1,,,,,,,The chemical shifts are nominally reported versus TSP. The internal water peak was used to set the reference. chem_shift_reference,chemical_shift_reference,7297,262127,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7298,262152,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7299,262170,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7300,262194,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7301,262217,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7302,262232,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7303,262247,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7304,262260,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7305,262274,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7306,262290,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7307,262307,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7308,262333,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7309,262348,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7310,262361,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7311,262380,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7312,262411,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7313,262441,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7314,262461,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7315,262482,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7316,262500,1,,,,,,,1H chemical shifts referenced directly against external DSS; 15N and 13C referenced indirectly to DSS using absolute frequency ratios at 298K. chem_shift_reference,chemical_shift_referencing,7317,262518,1,,,,,,,"1H chemical shifts referenced directly against external DSS; 15N and 13C referenced indirectly to DSS using absolute frequency ratios at 298K." chem_shift_reference,chemical_shift_referencing,7318,262534,1,,,,,,,1H chemical shifts referenced directly against external DSS; 15N and 13C referenced indirectly to DSS using absolute frequency ratios at 298K. chem_shift_reference,chemical_shift_referencing,7319,262556,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7320,262571,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7321,262589,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7322,262603,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7323,262617,1,,,,,,, chem_shift_reference,DSS,7324,262648,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7325,262662,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7326,262675,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7327,262692,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7330,262709,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7339,262729,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7340,262745,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7341,262760,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7342,262778,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7349,262794,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7350,262810,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7351,262826,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7352,262844,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7354,262862,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7356,262878,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7357,262894,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7358,262907,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7359,262934,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,736,262947,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7360,262974,1,,,,,,, chem_shift_reference,chem_shift_ref,7361,262994,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7362,263012,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7364,263028,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7365,263046,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7366,263066,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7367,263083,1,,,,,,, chem_shift_reference,chemical_shift_referencing,7370,263100,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7371,263122,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7375,263139,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7376,263160,1,,,,,,,referenced using internal standard DSS chem_shift_reference,chemical_shift_reference_1,7377,263182,1,,,,,,,referenced using internal standard DSS chem_shift_reference,chemical_shift_reference_1,7381,263201,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7382,263218,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7383,263235,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7386,263256,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7387,263273,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7388,263288,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7389,263304,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7390,263331,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7391,263346,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7396,263380,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7401,263408,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7402,263427,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7406,263455,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7407,263472,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7408,263487,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7409,263502,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7410,263517,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7411,263532,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7412,263547,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7413,263562,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7414,263579,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7415,263624,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7416,263648,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7417,263671,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7418,263694,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7419,263711,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7420,263726,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7421,263741,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7422,263759,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7423,263782,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7424,263807,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7425,263832,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7426,263848,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7427,263863,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7428,263878,1,,,,,,, chem_shift_reference,chem_shift_reference_1,7429,263894,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7430,263916,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7432,263934,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7433,263958,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,7434,263974,1,,,,,,, chem_shift_reference,shift_ref,7435,263991,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,749,264004,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,750,264017,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,753,264030,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,754,264043,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,758,264058,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,759,264073,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,76,264086,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,760,264101,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,761,264116,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,779,264130,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,780,264143,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,781,264156,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,79,264169,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,791,264182,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,8,264193,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,80,264206,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,81,264219,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,810,264232,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,811,264246,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,812,264260,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,813,264274,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,814,264288,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,821,264301,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,822,264314,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,823,264327,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,824,264340,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,846,264354,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,848,264367,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,849,264380,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,86,264395,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,862,264409,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,87,264424,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,877,264440,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,878,264456,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,88,264469,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,883,264482,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,884,264495,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,887,264508,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,888,264522,1,,,,,,,The chemical shift reference is not available at this time. chem_shift_reference,chem_shift_reference_par_set_one,893,264535,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,9,264547,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,90,264560,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,907,264573,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,908,264586,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,909,264599,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,910,264612,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,911,264625,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,912,264638,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,913,264651,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,914,264664,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,915,264677,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,916,264690,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,918,264703,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,919,264716,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,920,264729,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,922,264746,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,923,264762,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,932,264775,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,934,264789,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,936,264802,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,937,264815,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,939,264828,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,94,264841,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,940,264854,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,944,264870,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,945,264883,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,946,264899,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,947,264915,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,948,264931,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,949,264947,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,95,264960,1,,,,,,, chem_shift_reference,chemical_shift_reference_1,9500,264981,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,956,264994,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,957,265007,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,96,265019,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,960,265032,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,961,265045,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,962,265058,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,963,265071,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,964,265084,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,965,265097,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,966,265110,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,967,265123,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,968,265138,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,969,265153,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,97,265167,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,970,265183,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,971,265198,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,975,265211,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,979,265224,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,994,265237,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,995,265250,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,996,265263,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,997,265276,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,998,265289,1,,,,,,, chem_shift_reference,chem_shift_reference_par_set_one,999,265302,1,,,,,,,