data_19526
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR structure of SLED domain of Scml2
;
_BMRB_accession_number 19526
_BMRB_flat_file_name bmr19526.str
_Entry_type original
_Submission_date 2013-09-24
_Accession_date 2013-09-24
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Solution NMR structure of SLED domain from Sex Comb on Midleg-like 2 (Scml2)'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bezsonova Irina . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 635
"13C chemical shifts" 468
"15N chemical shifts" 115
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2014-04-22 original author .
stop_
_Original_release_date 2014-04-22
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution NMR Structure of the DNA-binding Domain from Scml2 (Sex Comb onMidleg-like 2)'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 24727478
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bezsonova Irina . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year 2014
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'SLED domain of Scml2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'SLED domain of Scml2' $SLED_Scml2
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_SLED_Scml2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common SLED_Scml2
_Molecular_mass 13112.994
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 119
_Mol_residue_sequence
;
GSHMMSTVCVYVNKHGNFGP
HLDPKRIQQLPDHFGPGPVN
VVLRRIVQACVDCALETKTV
FGYLKPDNRGGEVITASFDG
ETHSIQLPPVNSASFALRFL
ENFCHSLQCDNLLSSQPFS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 350 GLY 2 351 SER 3 352 HIS 4 353 MET 5 354 MET
6 355 SER 7 356 THR 8 357 VAL 9 358 CYS 10 359 VAL
11 360 TYR 12 361 VAL 13 362 ASN 14 363 LYS 15 364 HIS
16 365 GLY 17 366 ASN 18 367 PHE 19 368 GLY 20 369 PRO
21 370 HIS 22 371 LEU 23 372 ASP 24 373 PRO 25 374 LYS
26 375 ARG 27 376 ILE 28 377 GLN 29 378 GLN 30 379 LEU
31 380 PRO 32 381 ASP 33 382 HIS 34 383 PHE 35 384 GLY
36 385 PRO 37 386 GLY 38 387 PRO 39 388 VAL 40 389 ASN
41 390 VAL 42 391 VAL 43 392 LEU 44 393 ARG 45 394 ARG
46 395 ILE 47 396 VAL 48 397 GLN 49 398 ALA 50 399 CYS
51 400 VAL 52 401 ASP 53 402 CYS 54 403 ALA 55 404 LEU
56 405 GLU 57 406 THR 58 407 LYS 59 408 THR 60 409 VAL
61 410 PHE 62 411 GLY 63 412 TYR 64 413 LEU 65 414 LYS
66 415 PRO 67 416 ASP 68 417 ASN 69 418 ARG 70 419 GLY
71 420 GLY 72 421 GLU 73 422 VAL 74 423 ILE 75 424 THR
76 425 ALA 77 426 SER 78 427 PHE 79 428 ASP 80 429 GLY
81 430 GLU 82 431 THR 83 432 HIS 84 433 SER 85 434 ILE
86 435 GLN 87 436 LEU 88 437 PRO 89 438 PRO 90 439 VAL
91 440 ASN 92 441 SER 93 442 ALA 94 443 SER 95 444 PHE
96 445 ALA 97 446 LEU 98 447 ARG 99 448 PHE 100 449 LEU
101 450 GLU 102 451 ASN 103 452 PHE 104 453 CYS 105 454 HIS
106 455 SER 107 456 LEU 108 457 GLN 109 458 CYS 110 459 ASP
111 460 ASN 112 461 LEU 113 462 LEU 114 463 SER 115 464 SER
116 465 GLN 117 466 PRO 118 467 PHE 119 468 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-25
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2MEM "Solution Nmr Structure Of Sled Domain Of Scml2" 100.00 119 100.00 100.00 8.91e-82
DBJ BAG61234 "unnamed protein product [Homo sapiens]" 97.48 345 99.14 100.00 2.00e-78
DBJ BAG64181 "unnamed protein product [Homo sapiens]" 97.48 577 99.14 100.00 1.22e-75
EMBL CAB38943 "SCML2 protein [Homo sapiens]" 97.48 700 99.14 100.00 1.13e-74
GB AAH51913 "SCML2 protein, partial [Homo sapiens]" 97.48 733 99.14 100.00 1.19e-74
GB AAH64617 "Sex comb on midleg-like 2 (Drosophila) [Homo sapiens]" 97.48 700 99.14 100.00 1.13e-74
GB ABM54391 "SCML2 [Pan paniscus]" 52.94 99 98.41 100.00 2.15e-37
GB ABM67362 "SCML2 [Hylobates klossii]" 50.42 96 98.33 100.00 5.38e-35
GB EAW98937 "sex comb on midleg-like 2 (Drosophila), isoform CRA_a [Homo sapiens]" 97.48 700 99.14 100.00 1.13e-74
REF NP_001248288 "sex comb on midleg-like protein 2 [Macaca mulatta]" 97.48 701 99.14 100.00 7.83e-75
REF NP_006080 "sex comb on midleg-like protein 2 [Homo sapiens]" 97.48 700 99.14 100.00 1.13e-74
REF XP_003819585 "PREDICTED: sex comb on midleg-like protein 2 isoform X1 [Pan paniscus]" 97.48 700 99.14 100.00 8.46e-75
REF XP_003924181 "PREDICTED: sex comb on midleg-like protein 2 isoform X1 [Saimiri boliviensis boliviensis]" 97.48 701 99.14 100.00 1.42e-74
REF XP_004063918 "PREDICTED: sex comb on midleg-like protein 2 [Gorilla gorilla gorilla]" 97.48 671 99.14 100.00 1.18e-74
SP Q9UQR0 "RecName: Full=Sex comb on midleg-like protein 2" 97.48 700 99.14 100.00 1.13e-74
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$SLED_Scml2 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$SLED_Scml2 'recombinant technology' . Escherichia coli . pET28b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$SLED_Scml2 . mM 0.3 1.0 '[U-100% 13C; U-100% 15N]'
HEPES 50 mM . . 'natural abundance'
NaCl 250 mM . . 'natural abundance'
DTT 2 mM . . 'natural abundance'
H2O 90 % . . 'natural abundance'
D2O 10 % . . '[U-100% 2H]'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details '50 mM HEPES, pH 7.2, 250 mM NaCl, 2mM DTT'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 250 . mM
pH 7.2 . pH
pressure 1 . atm
temperature 273 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl carbons' ppm 0 na indirect . . . 0.2514
DSS H 1 'methyl carbons' ppm 0 internal direct . . . 1.0000
DSS N 15 'methyl carbons' ppm 0 na indirect . . . 0.1010
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'SLED domain of Scml2'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 352 3 HIS HA H 4.523 0.04 1
2 352 3 HIS HB2 H 3.010 0.04 2
3 352 3 HIS HB3 H 2.952 0.04 2
4 352 3 HIS C C 175.278 0.40 1
5 352 3 HIS CA C 56.560 0.40 1
6 352 3 HIS CB C 30.832 0.40 1
7 353 4 MET H H 8.237 0.04 1
8 353 4 MET HA H 3.712 0.04 1
9 353 4 MET HB2 H 1.840 0.04 2
10 353 4 MET HB3 H 1.970 0.04 2
11 353 4 MET HG2 H 2.406 0.04 2
12 353 4 MET HG3 H 2.325 0.04 2
13 353 4 MET CA C 55.533 0.40 1
14 353 4 MET CB C 32.769 0.40 1
15 353 4 MET CG C 31.881 0.40 1
16 353 4 MET N N 121.809 0.40 1
17 354 5 MET HA H 4.566 0.04 1
18 354 5 MET HB2 H 2.025 0.04 2
19 354 5 MET HB3 H 2.025 0.04 2
20 354 5 MET HG2 H 2.561 0.04 2
21 354 5 MET HG3 H 2.613 0.04 2
22 354 5 MET C C 176.111 0.40 1
23 354 5 MET CA C 55.274 0.40 1
24 354 5 MET CB C 32.729 0.40 1
25 354 5 MET CG C 31.879 0.40 1
26 355 6 SER H H 8.302 0.04 1
27 355 6 SER HA H 4.464 0.04 1
28 355 6 SER HB2 H 3.836 0.04 2
29 355 6 SER HB3 H 3.836 0.04 2
30 355 6 SER C C 173.575 0.40 1
31 355 6 SER CA C 58.925 0.40 1
32 355 6 SER CB C 64.029 0.40 1
33 355 6 SER N N 118.671 0.40 1
34 356 7 THR H H 8.011 0.04 1
35 356 7 THR HA H 4.834 0.04 1
36 356 7 THR HB H 3.760 0.04 1
37 356 7 THR HG2 H 0.954 0.04 1
38 356 7 THR C C 173.087 0.40 1
39 356 7 THR CA C 60.303 0.40 1
40 356 7 THR CB C 72.009 0.40 1
41 356 7 THR CG2 C 21.327 0.40 1
42 356 7 THR N N 115.456 0.40 1
43 357 8 VAL H H 8.562 0.04 1
44 357 8 VAL HA H 4.481 0.04 1
45 357 8 VAL HB H 1.787 0.04 1
46 357 8 VAL HG1 H 0.879 0.04 2
47 357 8 VAL HG2 H 0.603 0.04 2
48 357 8 VAL C C 171.401 0.40 1
49 357 8 VAL CA C 60.284 0.40 1
50 357 8 VAL CB C 35.849 0.40 1
51 357 8 VAL CG1 C 21.393 0.40 2
52 357 8 VAL CG2 C 20.091 0.40 2
53 357 8 VAL N N 117.923 0.40 1
54 358 9 CYS H H 7.865 0.04 1
55 358 9 CYS HA H 4.976 0.04 1
56 358 9 CYS HB2 H 2.607 0.04 2
57 358 9 CYS HB3 H 2.182 0.04 2
58 358 9 CYS C C 172.572 0.40 1
59 358 9 CYS CA C 57.114 0.40 1
60 358 9 CYS CB C 29.140 0.40 1
61 358 9 CYS N N 125.284 0.40 1
62 359 10 VAL H H 8.481 0.04 1
63 359 10 VAL HA H 4.355 0.04 1
64 359 10 VAL HB H 1.608 0.04 1
65 359 10 VAL HG1 H 0.789 0.04 2
66 359 10 VAL HG2 H 0.503 0.04 2
67 359 10 VAL C C 173.812 0.40 1
68 359 10 VAL CA C 60.846 0.40 1
69 359 10 VAL CB C 35.405 0.40 1
70 359 10 VAL CG1 C 23.007 0.40 2
71 359 10 VAL CG2 C 21.193 0.40 2
72 359 10 VAL N N 125.792 0.40 1
73 360 11 TYR H H 9.475 0.04 1
74 360 11 TYR HA H 4.629 0.04 1
75 360 11 TYR HB2 H 3.246 0.04 2
76 360 11 TYR HB3 H 2.734 0.04 2
77 360 11 TYR HD1 H 6.396 0.04 3
78 360 11 TYR HE1 H 6.396 0.04 3
79 360 11 TYR C C 174.724 0.40 1
80 360 11 TYR CA C 58.565 0.40 1
81 360 11 TYR CB C 40.074 0.40 1
82 360 11 TYR CD1 C 133.925 0.40 3
83 360 11 TYR CE1 C 117.421 0.40 3
84 360 11 TYR N N 127.355 0.40 1
85 361 12 VAL H H 7.988 0.04 1
86 361 12 VAL HA H 4.631 0.04 1
87 361 12 VAL HB H 1.915 0.04 1
88 361 12 VAL HG1 H 0.799 0.04 2
89 361 12 VAL HG2 H 0.587 0.04 2
90 361 12 VAL C C 175.388 0.40 1
91 361 12 VAL CA C 60.913 0.40 1
92 361 12 VAL CB C 34.079 0.40 1
93 361 12 VAL CG1 C 21.371 0.40 2
94 361 12 VAL CG2 C 20.951 0.40 2
95 361 12 VAL N N 120.276 0.40 1
96 362 13 ASN H H 9.161 0.04 1
97 362 13 ASN HA H 4.017 0.04 1
98 362 13 ASN HB2 H 2.714 0.04 2
99 362 13 ASN HB3 H 0.731 0.04 2
100 362 13 ASN HD21 H 6.641 0.04 2
101 362 13 ASN HD22 H 6.641 0.04 2
102 362 13 ASN C C 175.159 0.40 1
103 362 13 ASN CA C 51.243 0.40 1
104 362 13 ASN CB C 36.264 0.40 1
105 362 13 ASN N N 126.964 0.40 1
106 362 13 ASN ND2 N 110.307 0.40 1
107 363 14 LYS H H 8.314 0.04 1
108 363 14 LYS HA H 3.870 0.04 1
109 363 14 LYS HB2 H 1.838 0.04 2
110 363 14 LYS HB3 H 1.391 0.04 2
111 363 14 LYS HG2 H 1.353 0.04 2
112 363 14 LYS HG3 H 1.078 0.04 2
113 363 14 LYS HD2 H 1.449 0.04 2
114 363 14 LYS HD3 H 1.428 0.04 2
115 363 14 LYS HE2 H 2.878 0.04 2
116 363 14 LYS HE3 H 2.494 0.04 2
117 363 14 LYS C C 176.047 0.40 1
118 363 14 LYS CA C 57.107 0.40 1
119 363 14 LYS CB C 31.373 0.40 1
120 363 14 LYS CG C 26.165 0.40 1
121 363 14 LYS CD C 29.080 0.40 1
122 363 14 LYS CE C 42.551 0.40 1
123 363 14 LYS N N 123.352 0.40 1
124 364 15 HIS H H 7.570 0.04 1
125 364 15 HIS HA H 4.689 0.04 1
126 364 15 HIS HB2 H 3.218 0.04 2
127 364 15 HIS HB3 H 2.763 0.04 2
128 364 15 HIS HD2 H 6.971 0.04 1
129 364 15 HIS C C 174.715 0.40 1
130 364 15 HIS CA C 55.012 0.40 1
131 364 15 HIS CB C 29.891 0.40 1
132 364 15 HIS CD2 C 120.778 0.40 1
133 364 15 HIS N N 116.075 0.40 1
134 365 16 GLY H H 6.994 0.04 1
135 365 16 GLY HA2 H 3.818 0.04 2
136 365 16 GLY HA3 H 3.178 0.04 2
137 365 16 GLY C C 170.520 0.40 1
138 365 16 GLY CA C 44.529 0.40 1
139 365 16 GLY N N 108.156 0.40 1
140 366 17 ASN H H 7.784 0.04 1
141 366 17 ASN HA H 4.346 0.04 1
142 366 17 ASN HB2 H 2.704 0.04 2
143 366 17 ASN HB3 H 2.513 0.04 2
144 366 17 ASN HD21 H 7.648 0.04 2
145 366 17 ASN HD22 H 7.648 0.04 2
146 366 17 ASN C C 175.230 0.40 1
147 366 17 ASN CA C 52.012 0.40 1
148 366 17 ASN CB C 38.691 0.40 1
149 366 17 ASN N N 116.480 0.40 1
150 366 17 ASN ND2 N 113.862 0.40 1
151 367 18 PHE H H 8.008 0.04 1
152 367 18 PHE HA H 4.516 0.04 1
153 367 18 PHE HB2 H 3.174 0.04 2
154 367 18 PHE HB3 H 2.868 0.04 2
155 367 18 PHE HD2 H 6.886 0.04 3
156 367 18 PHE HE2 H 6.956 0.04 3
157 367 18 PHE C C 175.900 0.40 1
158 367 18 PHE CA C 56.533 0.40 1
159 367 18 PHE CB C 38.597 0.40 1
160 367 18 PHE CD2 C 131.004 0.40 3
161 367 18 PHE CE2 C 129.176 0.40 3
162 367 18 PHE N N 122.388 0.40 1
163 368 19 GLY H H 7.876 0.04 1
164 368 19 GLY HA2 H 3.699 0.04 2
165 368 19 GLY HA3 H 3.699 0.04 2
166 368 19 GLY CA C 45.856 0.40 1
167 368 19 GLY N N 104.827 0.40 1
168 369 20 PRO HA H 4.287 0.04 1
169 369 20 PRO HB2 H 1.885 0.04 2
170 369 20 PRO HB3 H 1.196 0.04 2
171 369 20 PRO HG2 H 1.563 0.04 2
172 369 20 PRO HG3 H 0.607 0.04 2
173 369 20 PRO HD2 H 3.456 0.04 2
174 369 20 PRO HD3 H 3.264 0.04 2
175 369 20 PRO C C 177.708 0.40 1
176 369 20 PRO CA C 63.706 0.40 1
177 369 20 PRO CB C 32.371 0.40 1
178 369 20 PRO CG C 25.261 0.40 1
179 369 20 PRO CD C 49.193 0.40 1
180 370 21 HIS H H 9.004 0.04 1
181 370 21 HIS HA H 4.824 0.04 1
182 370 21 HIS HB2 H 2.986 0.04 2
183 370 21 HIS HB3 H 2.909 0.04 2
184 370 21 HIS HD2 H 6.894 0.04 1
185 370 21 HIS C C 176.449 0.40 1
186 370 21 HIS CA C 56.534 0.40 1
187 370 21 HIS CB C 32.481 0.40 1
188 370 21 HIS CD2 C 120.341 0.40 1
189 370 21 HIS N N 115.028 0.40 1
190 371 22 LEU H H 6.418 0.04 1
191 371 22 LEU HA H 4.600 0.04 1
192 371 22 LEU HB2 H 1.753 0.04 2
193 371 22 LEU HB3 H 0.857 0.04 2
194 371 22 LEU HG H 1.714 0.04 1
195 371 22 LEU HD1 H 0.827 0.04 2
196 371 22 LEU HD2 H 0.604 0.04 2
197 371 22 LEU C C 174.200 0.40 1
198 371 22 LEU CA C 53.438 0.40 1
199 371 22 LEU CB C 44.013 0.40 1
200 371 22 LEU CG C 26.385 0.40 1
201 371 22 LEU CD1 C 25.677 0.40 2
202 371 22 LEU CD2 C 23.178 0.40 2
203 371 22 LEU N N 118.831 0.40 1
204 372 23 ASP H H 8.647 0.04 1
205 372 23 ASP HA H 4.542 0.04 1
206 372 23 ASP HB2 H 2.824 0.04 2
207 372 23 ASP HB3 H 2.294 0.04 2
208 372 23 ASP CA C 50.994 0.40 1
209 372 23 ASP CB C 42.051 0.40 1
210 372 23 ASP N N 121.305 0.40 1
211 373 24 PRO HA H 3.676 0.04 1
212 373 24 PRO HB2 H 2.300 0.04 2
213 373 24 PRO HB3 H 1.939 0.04 2
214 373 24 PRO HG2 H 2.090 0.04 2
215 373 24 PRO HG3 H 1.986 0.04 2
216 373 24 PRO HD2 H 3.931 0.04 2
217 373 24 PRO HD3 H 4.308 0.04 2
218 373 24 PRO C C 178.307 0.40 1
219 373 24 PRO CA C 65.051 0.40 1
220 373 24 PRO CB C 32.584 0.40 1
221 373 24 PRO CG C 27.889 0.40 1
222 373 24 PRO CD C 51.308 0.40 1
223 374 25 LYS H H 7.822 0.04 1
224 374 25 LYS HA H 3.876 0.04 1
225 374 25 LYS HB2 H 1.796 0.04 2
226 374 25 LYS HB3 H 1.675 0.04 2
227 374 25 LYS HG2 H 1.375 0.04 2
228 374 25 LYS HG3 H 1.300 0.04 2
229 374 25 LYS HD2 H 1.584 0.04 2
230 374 25 LYS HD3 H 1.584 0.04 2
231 374 25 LYS HE2 H 2.887 0.04 2
232 374 25 LYS HE3 H 2.887 0.04 2
233 374 25 LYS C C 179.536 0.40 1
234 374 25 LYS CA C 58.895 0.40 1
235 374 25 LYS CB C 31.988 0.40 1
236 374 25 LYS CG C 25.287 0.40 1
237 374 25 LYS CD C 28.978 0.40 1
238 374 25 LYS CE C 41.964 0.40 1
239 374 25 LYS N N 114.433 0.40 1
240 375 26 ARG H H 6.934 0.04 1
241 375 26 ARG HA H 4.071 0.04 1
242 375 26 ARG HB2 H 2.252 0.04 2
243 375 26 ARG HB3 H 1.681 0.04 2
244 375 26 ARG HG2 H 1.567 0.04 2
245 375 26 ARG HG3 H 1.567 0.04 2
246 375 26 ARG HD2 H 3.277 0.04 2
247 375 26 ARG HD3 H 3.087 0.04 2
248 375 26 ARG C C 179.533 0.40 1
249 375 26 ARG CA C 58.171 0.40 1
250 375 26 ARG CB C 30.703 0.40 1
251 375 26 ARG CG C 28.354 0.40 1
252 375 26 ARG CD C 43.367 0.40 1
253 375 26 ARG N N 116.776 0.40 1
254 376 27 ILE H H 7.859 0.04 1
255 376 27 ILE HA H 3.608 0.04 1
256 376 27 ILE HB H 1.463 0.04 1
257 376 27 ILE HG12 H 1.078 0.04 2
258 376 27 ILE HG13 H 0.631 0.04 2
259 376 27 ILE HG2 H 0.166 0.04 1
260 376 27 ILE HD1 H 0.427 0.04 1
261 376 27 ILE C C 178.165 0.40 1
262 376 27 ILE CA C 62.301 0.40 1
263 376 27 ILE CB C 35.290 0.40 1
264 376 27 ILE CG1 C 26.519 0.40 1
265 376 27 ILE CG2 C 17.182 0.40 1
266 376 27 ILE CD1 C 9.682 0.40 1
267 376 27 ILE N N 122.312 0.40 1
268 377 28 GLN H H 7.436 0.04 1
269 377 28 GLN HA H 3.675 0.04 1
270 377 28 GLN HB2 H 2.070 0.04 2
271 377 28 GLN HB3 H 1.949 0.04 2
272 377 28 GLN HG2 H 2.484 0.04 2
273 377 28 GLN HG3 H 2.404 0.04 2
274 377 28 GLN HE21 H 7.181 0.04 2
275 377 28 GLN HE22 H 7.181 0.04 2
276 377 28 GLN C C 176.527 0.40 1
277 377 28 GLN CA C 58.008 0.40 1
278 377 28 GLN CB C 28.114 0.40 1
279 377 28 GLN CG C 33.564 0.40 1
280 377 28 GLN N N 113.627 0.40 1
281 377 28 GLN NE2 N 111.093 0.40 1
282 378 29 GLN H H 6.911 0.04 1
283 378 29 GLN HA H 4.151 0.04 1
284 378 29 GLN HB2 H 2.195 0.04 2
285 378 29 GLN HB3 H 1.877 0.04 2
286 378 29 GLN HG2 H 2.420 0.04 2
287 378 29 GLN HG3 H 2.269 0.04 2
288 378 29 GLN HE21 H 7.355 0.04 2
289 378 29 GLN HE22 H 7.355 0.04 2
290 378 29 GLN C C 176.485 0.40 1
291 378 29 GLN CA C 55.275 0.40 1
292 378 29 GLN CB C 29.305 0.40 1
293 378 29 GLN CG C 33.998 0.40 1
294 378 29 GLN N N 113.878 0.40 1
295 378 29 GLN NE2 N 111.991 0.40 1
296 379 30 LEU H H 7.368 0.04 1
297 379 30 LEU HA H 4.209 0.04 1
298 379 30 LEU HB2 H 1.844 0.04 2
299 379 30 LEU HB3 H 1.361 0.04 2
300 379 30 LEU HG H 0.865 0.04 1
301 379 30 LEU HD1 H 0.865 0.04 2
302 379 30 LEU HD2 H 1.993 0.04 2
303 379 30 LEU CA C 54.029 0.40 1
304 379 30 LEU CB C 40.701 0.40 1
305 379 30 LEU CG C 23.240 0.40 1
306 379 30 LEU CD1 C 25.898 0.40 2
307 379 30 LEU CD2 C 26.690 0.40 2
308 379 30 LEU N N 120.809 0.40 1
309 380 31 PRO HA H 4.202 0.04 1
310 380 31 PRO HB2 H 1.805 0.04 2
311 380 31 PRO HB3 H 1.228 0.04 2
312 380 31 PRO HG2 H 1.216 0.04 2
313 380 31 PRO HG3 H 0.670 0.04 2
314 380 31 PRO HD2 H 3.397 0.04 2
315 380 31 PRO HD3 H 3.025 0.04 2
316 380 31 PRO C C 173.563 0.40 1
317 380 31 PRO CA C 62.226 0.40 1
318 380 31 PRO CB C 31.809 0.40 1
319 380 31 PRO CG C 26.543 0.40 1
320 380 31 PRO CD C 49.710 0.40 1
321 381 32 ASP H H 7.938 0.04 1
322 381 32 ASP HA H 4.226 0.04 1
323 381 32 ASP HB2 H 2.789 0.04 2
324 381 32 ASP HB3 H 2.602 0.04 2
325 381 32 ASP C C 176.275 0.40 1
326 381 32 ASP CA C 56.506 0.40 1
327 381 32 ASP CB C 41.676 0.40 1
328 381 32 ASP N N 114.823 0.40 1
329 382 33 HIS H H 6.907 0.04 1
330 382 33 HIS HA H 5.004 0.04 1
331 382 33 HIS HB2 H 2.831 0.04 2
332 382 33 HIS HB3 H 2.018 0.04 2
333 382 33 HIS C C 171.825 0.40 1
334 382 33 HIS CA C 54.485 0.40 1
335 382 33 HIS CB C 31.499 0.40 1
336 382 33 HIS N N 109.071 0.40 1
337 383 34 PHE H H 9.270 0.04 1
338 383 34 PHE HA H 4.416 0.04 1
339 383 34 PHE HB2 H 2.696 0.04 2
340 383 34 PHE HB3 H 2.516 0.04 2
341 383 34 PHE HD2 H 6.835 0.04 3
342 383 34 PHE C C 174.826 0.40 1
343 383 34 PHE CA C 56.869 0.40 1
344 383 34 PHE CB C 42.487 0.40 1
345 383 34 PHE CD2 C 131.999 0.40 3
346 383 34 PHE N N 118.808 0.40 1
347 384 35 GLY H H 8.620 0.04 1
348 384 35 GLY HA2 H 4.642 0.04 2
349 384 35 GLY HA3 H 3.200 0.04 2
350 384 35 GLY CA C 43.554 0.40 1
351 384 35 GLY N N 109.983 0.40 1
352 385 36 PRO HA H 4.793 0.04 1
353 385 36 PRO HB2 H 2.165 0.04 2
354 385 36 PRO HB3 H 1.841 0.04 2
355 385 36 PRO HG2 H 1.868 0.04 2
356 385 36 PRO HG3 H 1.709 0.04 2
357 385 36 PRO HD2 H 3.503 0.04 2
358 385 36 PRO HD3 H 3.503 0.04 2
359 385 36 PRO C C 176.664 0.40 1
360 385 36 PRO CA C 60.975 0.40 1
361 385 36 PRO CB C 34.365 0.40 1
362 385 36 PRO CG C 25.642 0.40 1
363 385 36 PRO CD C 51.021 0.40 1
364 386 37 GLY H H 8.149 0.04 1
365 386 37 GLY HA2 H 4.363 0.04 2
366 386 37 GLY HA3 H 3.887 0.04 2
367 386 37 GLY CA C 45.305 0.40 1
368 386 37 GLY N N 111.540 0.40 1
369 387 38 PRO HA H 4.560 0.04 1
370 387 38 PRO HB2 H 2.453 0.04 2
371 387 38 PRO HB3 H 1.911 0.04 2
372 387 38 PRO HG2 H 2.049 0.04 2
373 387 38 PRO HG3 H 1.968 0.04 2
374 387 38 PRO HD2 H 3.641 0.04 2
375 387 38 PRO HD3 H 3.352 0.04 2
376 387 38 PRO C C 178.960 0.40 1
377 387 38 PRO CA C 62.677 0.40 1
378 387 38 PRO CB C 32.718 0.40 1
379 387 38 PRO CG C 27.619 0.40 1
380 387 38 PRO CD C 49.907 0.40 1
381 388 39 VAL H H 8.199 0.04 1
382 388 39 VAL HA H 3.408 0.04 1
383 388 39 VAL HB H 1.678 0.04 1
384 388 39 VAL HG1 H 0.617 0.04 2
385 388 39 VAL HG2 H 0.583 0.04 2
386 388 39 VAL C C 174.968 0.40 1
387 388 39 VAL CA C 66.130 0.40 1
388 388 39 VAL CB C 31.487 0.40 1
389 388 39 VAL CG1 C 21.648 0.40 2
390 388 39 VAL CG2 C 21.591 0.40 2
391 388 39 VAL N N 120.620 0.40 1
392 389 40 ASN H H 8.482 0.04 1
393 389 40 ASN HA H 3.999 0.04 1
394 389 40 ASN HB2 H 2.698 0.04 2
395 389 40 ASN HB3 H 2.698 0.04 2
396 389 40 ASN C C 175.824 0.40 1
397 389 40 ASN CA C 57.233 0.40 1
398 389 40 ASN CB C 37.039 0.40 1
399 389 40 ASN N N 115.337 0.40 1
400 390 41 VAL H H 6.572 0.04 1
401 390 41 VAL HA H 3.369 0.04 1
402 390 41 VAL HB H 1.877 0.04 1
403 390 41 VAL HG1 H 0.869 0.04 2
404 390 41 VAL HG2 H 0.803 0.04 2
405 390 41 VAL C C 177.214 0.40 1
406 390 41 VAL CA C 65.722 0.40 1
407 390 41 VAL CB C 32.628 0.40 1
408 390 41 VAL CG1 C 21.658 0.40 2
409 390 41 VAL CG2 C 20.790 0.40 2
410 390 41 VAL N N 120.067 0.40 1
411 391 42 VAL H H 7.999 0.04 1
412 391 42 VAL HA H 3.194 0.04 1
413 391 42 VAL HB H 1.465 0.04 1
414 391 42 VAL HG1 H 0.748 0.04 2
415 391 42 VAL HG2 H 0.560 0.04 2
416 391 42 VAL C C 177.129 0.40 1
417 391 42 VAL CA C 67.411 0.40 1
418 391 42 VAL CB C 31.914 0.40 1
419 391 42 VAL CG1 C 22.517 0.40 2
420 391 42 VAL CG2 C 21.905 0.40 2
421 391 42 VAL N N 119.134 0.40 1
422 392 43 LEU H H 8.138 0.04 1
423 392 43 LEU HA H 3.678 0.04 1
424 392 43 LEU HB2 H 1.695 0.04 2
425 392 43 LEU HB3 H 1.136 0.04 2
426 392 43 LEU HG H 1.158 0.04 1
427 392 43 LEU HD1 H 0.434 0.04 2
428 392 43 LEU HD2 H 0.692 0.04 2
429 392 43 LEU C C 177.318 0.40 1
430 392 43 LEU CA C 58.536 0.40 1
431 392 43 LEU CB C 41.671 0.40 1
432 392 43 LEU CG C 26.426 0.40 1
433 392 43 LEU CD1 C 25.882 0.40 2
434 392 43 LEU CD2 C 24.210 0.40 2
435 392 43 LEU N N 117.128 0.40 1
436 393 44 ARG H H 7.198 0.04 1
437 393 44 ARG HA H 3.407 0.04 1
438 393 44 ARG HB2 H 1.846 0.04 2
439 393 44 ARG HB3 H 1.607 0.04 2
440 393 44 ARG HG2 H 1.530 0.04 2
441 393 44 ARG HG3 H 1.400 0.04 2
442 393 44 ARG HD2 H 3.321 0.04 2
443 393 44 ARG HD3 H 3.384 0.04 2
444 393 44 ARG C C 177.184 0.40 1
445 393 44 ARG CA C 59.816 0.40 1
446 393 44 ARG CB C 28.695 0.40 1
447 393 44 ARG CG C 26.087 0.40 1
448 393 44 ARG CD C 43.105 0.40 1
449 393 44 ARG N N 116.738 0.40 1
450 394 45 ARG H H 8.108 0.04 1
451 394 45 ARG HA H 3.728 0.04 1
452 394 45 ARG HB2 H 1.754 0.04 2
453 394 45 ARG HB3 H 1.754 0.04 2
454 394 45 ARG HG2 H 1.541 0.04 2
455 394 45 ARG HG3 H 1.541 0.04 2
456 394 45 ARG HD2 H 3.138 0.04 2
457 394 45 ARG HD3 H 3.060 0.04 2
458 394 45 ARG C C 179.665 0.40 1
459 394 45 ARG CA C 59.877 0.40 1
460 394 45 ARG CB C 30.526 0.40 1
461 394 45 ARG CG C 28.354 0.40 1
462 394 45 ARG CD C 44.261 0.40 1
463 394 45 ARG N N 115.560 0.40 1
464 395 46 ILE H H 8.059 0.04 1
465 395 46 ILE HA H 2.757 0.04 1
466 395 46 ILE HB H 1.265 0.04 1
467 395 46 ILE HG12 H 1.012 0.04 2
468 395 46 ILE HG13 H -0.312 0.04 2
469 395 46 ILE HG2 H 0.506 0.04 1
470 395 46 ILE HD1 H 0.352 0.04 1
471 395 46 ILE C C 177.187 0.40 1
472 395 46 ILE CA C 64.340 0.40 1
473 395 46 ILE CB C 38.192 0.40 1
474 395 46 ILE CG1 C 28.500 0.40 1
475 395 46 ILE CG2 C 19.161 0.40 1
476 395 46 ILE CD1 C 15.652 0.40 1
477 395 46 ILE N N 119.091 0.40 1
478 396 47 VAL H H 8.226 0.04 1
479 396 47 VAL HA H 3.194 0.04 1
480 396 47 VAL HB H 1.783 0.04 1
481 396 47 VAL HG1 H 0.554 0.04 2
482 396 47 VAL HG2 H 0.633 0.04 2
483 396 47 VAL C C 177.735 0.40 1
484 396 47 VAL CA C 67.929 0.40 1
485 396 47 VAL CB C 31.160 0.40 1
486 396 47 VAL CG1 C 23.051 0.40 2
487 396 47 VAL CG2 C 23.562 0.40 2
488 396 47 VAL N N 121.155 0.40 1
489 397 48 GLN H H 8.748 0.04 1
490 397 48 GLN HA H 3.723 0.04 1
491 397 48 GLN HB2 H 1.974 0.04 2
492 397 48 GLN HB3 H 2.270 0.04 2
493 397 48 GLN HG2 H 2.355 0.04 2
494 397 48 GLN HG3 H 2.218 0.04 2
495 397 48 GLN HE21 H 6.813 0.04 2
496 397 48 GLN HE22 H 6.813 0.04 2
497 397 48 GLN C C 177.242 0.40 1
498 397 48 GLN CA C 58.448 0.40 1
499 397 48 GLN CB C 29.590 0.40 1
500 397 48 GLN CG C 33.999 0.40 1
501 397 48 GLN N N 118.553 0.40 1
502 397 48 GLN NE2 N 112.108 0.40 1
503 398 49 ALA H H 7.853 0.04 1
504 398 49 ALA HA H 4.215 0.04 1
505 398 49 ALA HB H 1.518 0.04 1
506 398 49 ALA C C 180.149 0.40 1
507 398 49 ALA CA C 55.379 0.40 1
508 398 49 ALA CB C 18.061 0.40 1
509 398 49 ALA N N 119.896 0.40 1
510 399 50 CYS H H 8.032 0.04 1
511 399 50 CYS HA H 3.772 0.04 1
512 399 50 CYS HB2 H 3.327 0.04 2
513 399 50 CYS HB3 H 2.238 0.04 2
514 399 50 CYS C C 176.862 0.40 1
515 399 50 CYS CA C 65.964 0.40 1
516 399 50 CYS CB C 27.177 0.40 1
517 399 50 CYS N N 116.259 0.40 1
518 400 51 VAL H H 8.009 0.04 1
519 400 51 VAL HA H 3.362 0.04 1
520 400 51 VAL HB H 2.358 0.04 1
521 400 51 VAL HG1 H 1.040 0.04 2
522 400 51 VAL HG2 H 0.934 0.04 2
523 400 51 VAL C C 178.997 0.40 1
524 400 51 VAL CA C 67.531 0.40 1
525 400 51 VAL CB C 31.630 0.40 1
526 400 51 VAL CG1 C 22.336 0.40 2
527 400 51 VAL CG2 C 23.532 0.40 2
528 400 51 VAL N N 118.686 0.40 1
529 401 52 ASP H H 8.879 0.04 1
530 401 52 ASP HA H 4.417 0.04 1
531 401 52 ASP HB2 H 2.886 0.04 2
532 401 52 ASP HB3 H 2.723 0.04 2
533 401 52 ASP C C 177.829 0.40 1
534 401 52 ASP CA C 57.033 0.40 1
535 401 52 ASP CB C 40.100 0.40 1
536 401 52 ASP N N 120.816 0.40 1
537 402 53 CYS H H 7.713 0.04 1
538 402 53 CYS HA H 4.212 0.04 1
539 402 53 CYS HB2 H 2.849 0.04 2
540 402 53 CYS HB3 H 2.738 0.04 2
541 402 53 CYS C C 172.782 0.40 1
542 402 53 CYS CA C 60.279 0.40 1
543 402 53 CYS CB C 28.407 0.40 1
544 402 53 CYS N N 116.191 0.40 1
545 403 54 ALA H H 7.418 0.04 1
546 403 54 ALA HA H 4.282 0.04 1
547 403 54 ALA HB H 1.349 0.04 1
548 403 54 ALA C C 178.085 0.40 1
549 403 54 ALA CA C 53.100 0.40 1
550 403 54 ALA CB C 20.886 0.40 1
551 403 54 ALA N N 123.018 0.40 1
552 404 55 LEU H H 8.120 0.04 1
553 404 55 LEU HA H 4.082 0.04 1
554 404 55 LEU HB2 H 1.627 0.04 2
555 404 55 LEU HB3 H 1.454 0.04 2
556 404 55 LEU HG H 1.177 0.04 1
557 404 55 LEU HD1 H 0.764 0.04 2
558 404 55 LEU HD2 H 0.834 0.04 2
559 404 55 LEU CA C 57.824 0.40 1
560 404 55 LEU CB C 42.154 0.40 1
561 404 55 LEU CG C 27.897 0.40 1
562 404 55 LEU CD1 C 25.793 0.40 2
563 404 55 LEU CD2 C 23.491 0.40 2
564 404 55 LEU N N 122.923 0.40 1
565 405 56 GLU HA H 4.563 0.04 1
566 405 56 GLU HB2 H 1.966 0.04 2
567 405 56 GLU HB3 H 1.788 0.04 2
568 405 56 GLU HG2 H 2.101 0.04 2
569 405 56 GLU HG3 H 2.041 0.04 2
570 405 56 GLU C C 175.383 0.40 1
571 405 56 GLU CA C 54.539 0.40 1
572 405 56 GLU CB C 30.486 0.40 1
573 405 56 GLU CG C 36.159 0.40 1
574 406 57 THR H H 8.453 0.04 1
575 406 57 THR HA H 3.413 0.04 1
576 406 57 THR HB H 3.765 0.04 1
577 406 57 THR HG2 H 1.231 0.04 1
578 406 57 THR C C 174.765 0.40 1
579 406 57 THR CA C 67.890 0.40 1
580 406 57 THR CB C 69.280 0.40 1
581 406 57 THR CG2 C 23.349 0.40 1
582 406 57 THR N N 123.081 0.40 1
583 407 58 LYS H H 8.608 0.04 1
584 407 58 LYS HA H 2.393 0.04 1
585 407 58 LYS HB2 H 0.949 0.04 2
586 407 58 LYS HB3 H 0.699 0.04 2
587 407 58 LYS HG2 H 0.628 0.04 2
588 407 58 LYS HG3 H 0.305 0.04 2
589 407 58 LYS HD2 H 1.325 0.04 2
590 407 58 LYS HD3 H 1.284 0.04 2
591 407 58 LYS HE2 H 2.640 0.04 2
592 407 58 LYS HE3 H 2.584 0.04 2
593 407 58 LYS C C 178.064 0.40 1
594 407 58 LYS CA C 59.647 0.40 1
595 407 58 LYS CB C 32.572 0.40 1
596 407 58 LYS CG C 24.148 0.40 1
597 407 58 LYS CD C 29.716 0.40 1
598 407 58 LYS CE C 41.848 0.40 1
599 407 58 LYS N N 117.773 0.40 1
600 408 59 THR H H 7.126 0.04 1
601 408 59 THR HA H 3.428 0.04 1
602 408 59 THR HB H 4.180 0.04 1
603 408 59 THR HG2 H 0.709 0.04 1
604 408 59 THR C C 175.430 0.40 1
605 408 59 THR CA C 65.482 0.40 1
606 408 59 THR CB C 68.195 0.40 1
607 408 59 THR CG2 C 21.524 0.40 1
608 408 59 THR N N 115.442 0.40 1
609 409 60 VAL H H 6.636 0.04 1
610 409 60 VAL HA H 3.366 0.04 1
611 409 60 VAL HB H 1.723 0.04 1
612 409 60 VAL HG1 H 0.846 0.04 2
613 409 60 VAL HG2 H 0.872 0.04 2
614 409 60 VAL C C 177.013 0.40 1
615 409 60 VAL CA C 66.921 0.40 1
616 409 60 VAL CB C 32.150 0.40 1
617 409 60 VAL CG1 C 21.630 0.40 2
618 409 60 VAL CG2 C 24.892 0.40 2
619 409 60 VAL N N 119.264 0.40 1
620 410 61 PHE H H 8.350 0.04 1
621 410 61 PHE HA H 3.837 0.04 1
622 410 61 PHE HB2 H 2.716 0.04 2
623 410 61 PHE HB3 H 2.617 0.04 2
624 410 61 PHE C C 177.325 0.40 1
625 410 61 PHE CA C 61.442 0.40 1
626 410 61 PHE CB C 40.078 0.40 1
627 410 61 PHE N N 118.326 0.40 1
628 411 62 GLY H H 7.338 0.04 1
629 411 62 GLY HA2 H 3.829 0.04 2
630 411 62 GLY HA3 H 3.542 0.04 2
631 411 62 GLY C C 174.461 0.40 1
632 411 62 GLY CA C 45.957 0.40 1
633 411 62 GLY N N 102.220 0.40 1
634 412 63 TYR H H 7.304 0.04 1
635 412 63 TYR HA H 4.362 0.04 1
636 412 63 TYR HB2 H 3.093 0.04 2
637 412 63 TYR HB3 H 2.907 0.04 2
638 412 63 TYR HD1 H 6.887 0.04 3
639 412 63 TYR HE1 H 6.396 0.04 3
640 412 63 TYR C C 176.330 0.40 1
641 412 63 TYR CA C 59.354 0.40 1
642 412 63 TYR CB C 37.731 0.40 1
643 412 63 TYR CD1 C 133.925 0.40 3
644 412 63 TYR CE1 C 117.421 0.40 3
645 412 63 TYR N N 117.518 0.40 1
646 413 64 LEU H H 7.332 0.04 1
647 413 64 LEU HA H 4.244 0.04 1
648 413 64 LEU HB2 H 1.483 0.04 2
649 413 64 LEU HB3 H 0.886 0.04 2
650 413 64 LEU HG H 1.396 0.04 1
651 413 64 LEU HD1 H 0.374 0.04 2
652 413 64 LEU HD2 H 0.343 0.04 2
653 413 64 LEU C C 175.509 0.40 1
654 413 64 LEU CA C 53.918 0.40 1
655 413 64 LEU CB C 41.568 0.40 1
656 413 64 LEU CG C 26.727 0.40 1
657 413 64 LEU CD1 C 25.805 0.40 2
658 413 64 LEU CD2 C 23.081 0.40 2
659 413 64 LEU N N 121.224 0.40 1
660 414 65 LYS H H 8.571 0.04 1
661 414 65 LYS HA H 4.492 0.04 1
662 414 65 LYS HB2 H 1.721 0.04 2
663 414 65 LYS HB3 H 1.661 0.04 2
664 414 65 LYS HG2 H 1.410 0.04 2
665 414 65 LYS HG3 H 1.293 0.04 2
666 414 65 LYS HD2 H 2.875 0.04 2
667 414 65 LYS HD3 H 1.570 0.04 2
668 414 65 LYS HE2 H 1.580 0.04 2
669 414 65 LYS HE3 H 2.880 0.04 2
670 414 65 LYS CA C 53.283 0.40 1
671 414 65 LYS CB C 32.657 0.40 1
672 414 65 LYS CG C 24.675 0.40 1
673 414 65 LYS CD C 28.862 0.40 1
674 414 65 LYS CE C 42.302 0.40 1
675 414 65 LYS N N 124.753 0.40 1
676 415 66 PRO HA H 4.293 0.04 1
677 415 66 PRO HB2 H 2.176 0.04 2
678 415 66 PRO HB3 H 1.899 0.04 2
679 415 66 PRO HG2 H 1.923 0.04 2
680 415 66 PRO HG3 H 1.882 0.04 2
681 415 66 PRO HD2 H 3.779 0.04 2
682 415 66 PRO HD3 H 3.537 0.04 2
683 415 66 PRO C C 175.988 0.40 1
684 415 66 PRO CA C 63.828 0.40 1
685 415 66 PRO CB C 32.447 0.40 1
686 415 66 PRO CG C 27.425 0.40 1
687 415 66 PRO CD C 50.797 0.40 1
688 416 67 ASP H H 8.134 0.04 1
689 416 67 ASP HA H 4.593 0.04 1
690 416 67 ASP HB2 H 2.572 0.04 2
691 416 67 ASP HB3 H 2.372 0.04 2
692 416 67 ASP C C 175.522 0.40 1
693 416 67 ASP CA C 53.044 0.40 1
694 416 67 ASP CB C 43.178 0.40 1
695 416 67 ASP N N 122.538 0.40 1
696 417 68 ASN H H 8.985 0.04 1
697 417 68 ASN HA H 4.706 0.04 1
698 417 68 ASN HB2 H 2.796 0.04 2
699 417 68 ASN HB3 H 2.497 0.04 2
700 417 68 ASN C C 175.776 0.40 1
701 417 68 ASN CA C 53.105 0.40 1
702 417 68 ASN CB C 38.952 0.40 1
703 417 68 ASN N N 120.148 0.40 1
704 418 69 ARG H H 7.893 0.04 1
705 418 69 ARG HA H 4.297 0.04 1
706 418 69 ARG HB2 H 1.897 0.04 2
707 418 69 ARG HB3 H 1.509 0.04 2
708 418 69 ARG HG2 H 1.633 0.04 2
709 418 69 ARG HG3 H 1.482 0.04 2
710 418 69 ARG HD2 H 3.168 0.04 2
711 418 69 ARG HD3 H 3.004 0.04 2
712 418 69 ARG C C 176.089 0.40 1
713 418 69 ARG CA C 56.233 0.40 1
714 418 69 ARG CB C 31.657 0.40 1
715 418 69 ARG CG C 26.766 0.40 1
716 418 69 ARG CD C 43.706 0.40 1
717 418 69 ARG N N 118.912 0.40 1
718 419 70 GLY H H 8.309 0.04 1
719 419 70 GLY HA2 H 3.961 0.04 2
720 419 70 GLY HA3 H 3.535 0.04 2
721 419 70 GLY C C 174.846 0.40 1
722 419 70 GLY CA C 45.932 0.40 1
723 419 70 GLY N N 108.419 0.40 1
724 420 71 GLY H H 8.015 0.04 1
725 420 71 GLY HA2 H 3.941 0.04 2
726 420 71 GLY HA3 H 3.765 0.04 2
727 420 71 GLY C C 172.732 0.40 1
728 420 71 GLY CA C 43.680 0.40 1
729 420 71 GLY N N 108.971 0.40 1
730 421 72 GLU H H 8.377 0.04 1
731 421 72 GLU HA H 3.829 0.04 1
732 421 72 GLU HB2 H 1.818 0.04 2
733 421 72 GLU HB3 H 1.554 0.04 2
734 421 72 GLU HG2 H 2.436 0.04 2
735 421 72 GLU HG3 H 2.137 0.04 2
736 421 72 GLU C C 175.535 0.40 1
737 421 72 GLU CA C 55.873 0.40 1
738 421 72 GLU CB C 31.224 0.40 1
739 421 72 GLU CG C 36.332 0.40 1
740 421 72 GLU N N 116.748 0.40 1
741 422 73 VAL H H 8.257 0.04 1
742 422 73 VAL HA H 4.478 0.04 1
743 422 73 VAL HB H 1.742 0.04 1
744 422 73 VAL HG1 H 0.815 0.04 2
745 422 73 VAL HG2 H 0.734 0.04 2
746 422 73 VAL C C 175.544 0.40 1
747 422 73 VAL CA C 62.417 0.40 1
748 422 73 VAL CB C 33.760 0.40 1
749 422 73 VAL CG1 C 22.300 0.40 2
750 422 73 VAL CG2 C 22.037 0.40 2
751 422 73 VAL N N 119.246 0.40 1
752 423 74 ILE H H 8.924 0.04 1
753 423 74 ILE HA H 4.316 0.04 1
754 423 74 ILE HB H 1.844 0.04 1
755 423 74 ILE HG12 H 1.502 0.04 2
756 423 74 ILE HG13 H 0.920 0.04 2
757 423 74 ILE HG2 H 0.795 0.04 1
758 423 74 ILE HD1 H 0.659 0.04 1
759 423 74 ILE C C 175.218 0.40 1
760 423 74 ILE CA C 57.203 0.40 1
761 423 74 ILE CB C 37.669 0.40 1
762 423 74 ILE CG1 C 26.387 0.40 1
763 423 74 ILE CG2 C 16.872 0.40 1
764 423 74 ILE CD1 C 10.987 0.40 1
765 423 74 ILE N N 127.788 0.40 1
766 424 75 THR H H 8.920 0.04 1
767 424 75 THR HA H 5.574 0.04 1
768 424 75 THR HB H 3.809 0.04 1
769 424 75 THR HG2 H 0.955 0.04 1
770 424 75 THR C C 173.765 0.40 1
771 424 75 THR CA C 59.692 0.40 1
772 424 75 THR CB C 72.495 0.40 1
773 424 75 THR CG2 C 21.047 0.40 1
774 424 75 THR N N 117.789 0.40 1
775 425 76 ALA H H 8.481 0.04 1
776 425 76 ALA HA H 4.399 0.04 1
777 425 76 ALA HB H 0.749 0.04 1
778 425 76 ALA C C 175.323 0.40 1
779 425 76 ALA CA C 51.602 0.40 1
780 425 76 ALA CB C 23.187 0.40 1
781 425 76 ALA N N 122.011 0.40 1
782 426 77 SER H H 8.928 0.04 1
783 426 77 SER HA H 5.205 0.04 1
784 426 77 SER HB2 H 3.567 0.04 2
785 426 77 SER HB3 H 3.500 0.04 2
786 426 77 SER C C 173.809 0.40 1
787 426 77 SER CA C 56.733 0.40 1
788 426 77 SER CB C 63.905 0.40 1
789 426 77 SER N N 117.354 0.40 1
790 427 78 PHE H H 8.070 0.04 1
791 427 78 PHE HA H 4.682 0.04 1
792 427 78 PHE HB2 H 3.356 0.04 2
793 427 78 PHE HB3 H 2.843 0.04 2
794 427 78 PHE HD1 H 6.524 0.04 3
795 427 78 PHE HE1 H 6.314 0.04 3
796 427 78 PHE C C 175.190 0.40 1
797 427 78 PHE CA C 57.193 0.40 1
798 427 78 PHE CB C 39.421 0.40 1
799 427 78 PHE CD1 C 132.054 0.40 3
800 427 78 PHE CE1 C 130.480 0.40 3
801 427 78 PHE N N 118.541 0.40 1
802 428 79 ASP H H 9.523 0.04 1
803 428 79 ASP HA H 4.300 0.04 1
804 428 79 ASP HB2 H 2.976 0.04 2
805 428 79 ASP HB3 H 2.856 0.04 2
806 428 79 ASP C C 175.894 0.40 1
807 428 79 ASP CA C 55.753 0.40 1
808 428 79 ASP CB C 39.298 0.40 1
809 428 79 ASP N N 119.471 0.40 1
810 429 80 GLY H H 8.528 0.04 1
811 429 80 GLY HA2 H 3.986 0.04 2
812 429 80 GLY HA3 H 3.478 0.04 2
813 429 80 GLY C C 173.634 0.40 1
814 429 80 GLY CA C 45.734 0.40 1
815 429 80 GLY N N 104.321 0.40 1
816 430 81 GLU H H 7.376 0.04 1
817 430 81 GLU HA H 4.457 0.04 1
818 430 81 GLU HB2 H 1.491 0.04 2
819 430 81 GLU HB3 H 1.310 0.04 2
820 430 81 GLU HG2 H 1.768 0.04 2
821 430 81 GLU HG3 H 1.768 0.04 2
822 430 81 GLU C C 174.108 0.40 1
823 430 81 GLU CA C 54.264 0.40 1
824 430 81 GLU CB C 34.191 0.40 1
825 430 81 GLU CG C 35.790 0.40 1
826 430 81 GLU N N 118.392 0.40 1
827 431 82 THR H H 8.245 0.04 1
828 431 82 THR HA H 4.285 0.04 1
829 431 82 THR HB H 3.660 0.04 1
830 431 82 THR HG2 H 0.847 0.04 1
831 431 82 THR C C 173.086 0.40 1
832 431 82 THR CA C 62.344 0.40 1
833 431 82 THR CB C 69.472 0.40 1
834 431 82 THR CG2 C 21.563 0.40 1
835 431 82 THR N N 116.177 0.40 1
836 432 83 HIS H H 8.786 0.04 1
837 432 83 HIS HA H 4.483 0.04 1
838 432 83 HIS HB2 H 2.892 0.04 2
839 432 83 HIS HB3 H 2.062 0.04 2
840 432 83 HIS C C 173.522 0.40 1
841 432 83 HIS CA C 54.649 0.40 1
842 432 83 HIS CB C 32.778 0.40 1
843 432 83 HIS N N 126.549 0.40 1
844 433 84 SER H H 8.630 0.04 1
845 433 84 SER HA H 5.766 0.04 1
846 433 84 SER HB2 H 3.594 0.04 2
847 433 84 SER HB3 H 3.547 0.04 2
848 433 84 SER C C 173.435 0.40 1
849 433 84 SER CA C 57.375 0.40 1
850 433 84 SER CB C 66.281 0.40 1
851 433 84 SER N N 115.502 0.40 1
852 434 85 ILE H H 9.067 0.04 1
853 434 85 ILE HA H 4.510 0.04 1
854 434 85 ILE HB H 1.568 0.04 1
855 434 85 ILE HG12 H 1.192 0.04 2
856 434 85 ILE HG13 H 0.744 0.04 2
857 434 85 ILE HG2 H 0.596 0.04 1
858 434 85 ILE HD1 H 0.269 0.04 1
859 434 85 ILE C C 173.238 0.40 1
860 434 85 ILE CA C 59.345 0.40 1
861 434 85 ILE CB C 43.489 0.40 1
862 434 85 ILE CG1 C 27.252 0.40 1
863 434 85 ILE CG2 C 19.734 0.40 1
864 434 85 ILE CD1 C 15.292 0.40 1
865 434 85 ILE N N 121.303 0.40 1
866 435 86 GLN H H 8.135 0.04 1
867 435 86 GLN HA H 4.764 0.04 1
868 435 86 GLN HB2 H 1.656 0.04 2
869 435 86 GLN HB3 H 1.656 0.04 2
870 435 86 GLN HE21 H 6.782 0.04 2
871 435 86 GLN HE22 H 6.782 0.04 2
872 435 86 GLN C C 176.584 0.40 1
873 435 86 GLN CA C 54.171 0.40 1
874 435 86 GLN CB C 30.372 0.40 1
875 435 86 GLN N N 119.719 0.40 1
876 435 86 GLN NE2 N 110.18 0.40 1
877 436 87 LEU H H 8.756 0.04 1
878 436 87 LEU HA H 4.161 0.04 1
879 436 87 LEU HB2 H 1.469 0.04 2
880 436 87 LEU HB3 H 0.889 0.04 2
881 436 87 LEU HG H 0.399 0.04 1
882 436 87 LEU HD1 H 0.399 0.04 2
883 436 87 LEU HD2 H 0.503 0.04 2
884 436 87 LEU CA C 52.717 0.40 1
885 436 87 LEU CB C 40.260 0.40 1
886 436 87 LEU CG C 26.670 0.40 1
887 436 87 LEU CD1 C 25.671 0.40 2
888 436 87 LEU CD2 C 23.144 0.40 2
889 436 87 LEU N N 121.731 0.40 1
890 437 88 PRO HA H 4.472 0.04 1
891 437 88 PRO HB2 H 2.111 0.04 2
892 437 88 PRO HB3 H 1.557 0.04 2
893 437 88 PRO HG2 H 2.058 0.04 2
894 437 88 PRO HG3 H 1.716 0.04 2
895 437 88 PRO HD2 H 3.575 0.04 2
896 437 88 PRO HD3 H 2.909 0.04 2
897 437 88 PRO CA C 61.389 0.40 1
898 437 88 PRO CB C 30.180 0.40 1
899 437 88 PRO CG C 27.241 0.40 1
900 437 88 PRO CD C 49.555 0.40 1
901 438 89 PRO HA H 4.117 0.04 1
902 438 89 PRO HB2 H 1.808 0.04 2
903 438 89 PRO HB3 H 1.636 0.04 2
904 438 89 PRO HG2 H 1.835 0.04 2
905 438 89 PRO HG3 H 1.613 0.04 2
906 438 89 PRO HD2 H 3.492 0.04 2
907 438 89 PRO HD3 H 3.288 0.04 2
908 438 89 PRO C C 176.051 0.40 1
909 438 89 PRO CA C 62.915 0.40 1
910 438 89 PRO CB C 30.753 0.40 1
911 438 89 PRO CG C 27.922 0.40 1
912 438 89 PRO CD C 49.697 0.40 1
913 439 90 VAL H H 7.940 0.04 1
914 439 90 VAL HA H 3.931 0.04 1
915 439 90 VAL HB H 1.631 0.04 1
916 439 90 VAL HG1 H 0.717 0.04 2
917 439 90 VAL HG2 H 0.639 0.04 2
918 439 90 VAL CA C 61.197 0.40 1
919 439 90 VAL CB C 34.106 0.40 1
920 439 90 VAL CG1 C 22.331 0.40 2
921 439 90 VAL CG2 C 21.086 0.40 2
922 439 90 VAL N N 121.526 0.40 1
923 440 91 ASN HA H 4.788 0.04 1
924 440 91 ASN HB2 H 2.713 0.04 2
925 440 91 ASN HB3 H 2.626 0.04 2
926 440 91 ASN HD21 H 7.366 0.04 2
927 440 91 ASN HD22 H 7.366 0.04 2
928 440 91 ASN C C 174.227 0.40 1
929 440 91 ASN CA C 52.810 0.40 1
930 440 91 ASN CB C 40.085 0.40 1
931 440 91 ASN ND2 N 112.432 0.40 1
932 441 92 SER H H 7.356 0.04 1
933 441 92 SER HA H 4.811 0.04 1
934 441 92 SER HB2 H 4.124 0.04 2
935 441 92 SER HB3 H 3.852 0.04 2
936 441 92 SER C C 173.989 0.40 1
937 441 92 SER CA C 56.309 0.40 1
938 441 92 SER CB C 66.096 0.40 1
939 441 92 SER N N 111.640 0.40 1
940 442 93 ALA H H 9.007 0.04 1
941 442 93 ALA HA H 3.750 0.04 1
942 442 93 ALA HB H 1.406 0.04 1
943 442 93 ALA C C 178.819 0.40 1
944 442 93 ALA CA C 55.781 0.40 1
945 442 93 ALA CB C 17.984 0.40 1
946 442 93 ALA N N 126.621 0.40 1
947 443 94 SER H H 8.535 0.04 1
948 443 94 SER HA H 4.024 0.04 1
949 443 94 SER HB3 H 3.784 0.04 2
950 443 94 SER C C 177.346 0.40 1
951 443 94 SER CA C 61.536 0.40 1
952 443 94 SER CB C 61.888 0.40 1
953 443 94 SER N N 112.044 0.40 1
954 444 95 PHE H H 7.765 0.04 1
955 444 95 PHE HA H 4.197 0.04 1
956 444 95 PHE HB2 H 3.129 0.04 2
957 444 95 PHE HB3 H 3.054 0.04 2
958 444 95 PHE HD1 H 7.181 0.04 3
959 444 95 PHE C C 177.999 0.40 1
960 444 95 PHE CA C 61.065 0.40 1
961 444 95 PHE CB C 39.127 0.40 1
962 444 95 PHE CD1 C 131.69 0.40 3
963 444 95 PHE N N 121.807 0.40 1
964 445 96 ALA H H 7.819 0.04 1
965 445 96 ALA HA H 3.808 0.04 1
966 445 96 ALA HB H 1.303 0.04 1
967 445 96 ALA C C 178.449 0.40 1
968 445 96 ALA CA C 55.452 0.40 1
969 445 96 ALA CB C 18.226 0.40 1
970 445 96 ALA N N 121.823 0.40 1
971 446 97 LEU H H 8.349 0.04 1
972 446 97 LEU HA H 3.948 0.04 1
973 446 97 LEU HB2 H 1.798 0.04 2
974 446 97 LEU HB3 H 1.507 0.04 2
975 446 97 LEU HG H 1.770 0.04 1
976 446 97 LEU HD1 H 0.827 0.04 2
977 446 97 LEU HD2 H 0.704 0.04 2
978 446 97 LEU C C 179.665 0.40 1
979 446 97 LEU CA C 57.702 0.40 1
980 446 97 LEU CB C 40.517 0.40 1
981 446 97 LEU CG C 27.407 0.40 1
982 446 97 LEU CD1 C 25.099 0.40 2
983 446 97 LEU CD2 C 22.065 0.40 2
984 446 97 LEU N N 116.706 0.40 1
985 447 98 ARG H H 7.861 0.04 1
986 447 98 ARG HA H 4.037 0.04 1
987 447 98 ARG HB2 H 1.783 0.04 2
988 447 98 ARG HB3 H 1.783 0.04 2
989 447 98 ARG HG2 H 1.590 0.04 2
990 447 98 ARG HG3 H 1.590 0.04 2
991 447 98 ARG HD2 H 3.065 0.04 2
992 447 98 ARG HD3 H 3.065 0.04 2
993 447 98 ARG C C 178.344 0.40 1
994 447 98 ARG CA C 59.089 0.40 1
995 447 98 ARG CB C 30.070 0.40 1
996 447 98 ARG CG C 26.990 0.40 1
997 447 98 ARG CD C 43.228 0.40 1
998 447 98 ARG N N 121.262 0.40 1
999 448 99 PHE H H 8.288 0.04 1
1000 448 99 PHE HA H 3.832 0.04 1
1001 448 99 PHE HB2 H 3.142 0.04 2
1002 448 99 PHE HB3 H 2.683 0.04 2
1003 448 99 PHE C C 179.049 0.40 1
1004 448 99 PHE CA C 62.009 0.40 1
1005 448 99 PHE CB C 38.523 0.40 1
1006 448 99 PHE N N 121.152 0.40 1
1007 449 100 LEU H H 8.304 0.04 1
1008 449 100 LEU HA H 3.995 0.04 1
1009 449 100 LEU HB2 H 1.964 0.04 2
1010 449 100 LEU HB3 H 1.387 0.04 2
1011 449 100 LEU HG H 1.884 0.04 1
1012 449 100 LEU HD1 H 0.718 0.04 2
1013 449 100 LEU HD2 H 0.718 0.04 2
1014 449 100 LEU C C 178.491 0.40 1
1015 449 100 LEU CA C 57.757 0.40 1
1016 449 100 LEU CB C 41.865 0.40 1
1017 449 100 LEU CG C 26.573 0.40 1
1018 449 100 LEU CD1 C 25.518 0.40 2
1019 449 100 LEU CD2 C 23.006 0.40 2
1020 449 100 LEU N N 119.715 0.40 1
1021 450 101 GLU H H 8.488 0.04 1
1022 450 101 GLU HA H 3.943 0.04 1
1023 450 101 GLU HB2 H 2.155 0.04 2
1024 450 101 GLU HB3 H 1.972 0.04 2
1025 450 101 GLU HG2 H 2.363 0.04 2
1026 450 101 GLU HG3 H 2.134 0.04 2
1027 450 101 GLU C C 179.460 0.40 1
1028 450 101 GLU CA C 59.762 0.40 1
1029 450 101 GLU CB C 29.477 0.40 1
1030 450 101 GLU CG C 36.329 0.40 1
1031 450 101 GLU N N 122.098 0.40 1
1032 451 102 ASN H H 7.901 0.04 1
1033 451 102 ASN HA H 4.322 0.04 1
1034 451 102 ASN HB2 H 2.642 0.04 2
1035 451 102 ASN HB3 H 2.642 0.04 2
1036 451 102 ASN HD21 H 7.540 0.04 2
1037 451 102 ASN HD22 H 7.540 0.04 2
1038 451 102 ASN C C 177.302 0.40 1
1039 451 102 ASN CA C 56.468 0.40 1
1040 451 102 ASN CB C 38.152 0.40 1
1041 451 102 ASN N N 118.672 0.40 1
1042 451 102 ASN ND2 N 113.271 0.40 1
1043 452 103 PHE H H 8.269 0.04 1
1044 452 103 PHE HA H 4.230 0.04 1
1045 452 103 PHE HB2 H 2.872 0.04 2
1046 452 103 PHE HB3 H 2.727 0.04 2
1047 452 103 PHE HD1 H 7.057 0.04 3
1048 452 103 PHE HD2 H 6.973 0.04 3
1049 452 103 PHE HZ H 6.751 0.04 1
1050 452 103 PHE C C 177.395 0.40 1
1051 452 103 PHE CA C 60.047 0.40 1
1052 452 103 PHE CB C 39.763 0.40 1
1053 452 103 PHE CD1 C 131.234 0.40 3
1054 452 103 PHE CD2 C 131.188 0.40 3
1055 452 103 PHE CZ C 128.990 0.40 1
1056 452 103 PHE N N 123.458 0.40 1
1057 453 104 CYS H H 8.772 0.04 1
1058 453 104 CYS HA H 3.728 0.04 1
1059 453 104 CYS HB2 H 3.009 0.04 2
1060 453 104 CYS HB3 H 2.855 0.04 2
1061 453 104 CYS C C 176.686 0.40 1
1062 453 104 CYS CA C 63.924 0.40 1
1063 453 104 CYS CB C 26.763 0.40 1
1064 453 104 CYS N N 115.813 0.40 1
1065 454 105 HIS H H 8.104 0.04 1
1066 454 105 HIS HA H 4.371 0.04 1
1067 454 105 HIS HB2 H 3.244 0.04 2
1068 454 105 HIS HB3 H 3.194 0.04 2
1069 454 105 HIS HD2 H 7.077 0.04 1
1070 454 105 HIS C C 179.794 0.40 1
1071 454 105 HIS CA C 59.346 0.40 1
1072 454 105 HIS CB C 28.410 0.40 1
1073 454 105 HIS CD2 C 121.061 0.40 1
1074 454 105 HIS N N 118.967 0.40 1
1075 455 106 SER H H 8.061 0.04 1
1076 455 106 SER HB2 H 3.707 0.04 2
1077 455 106 SER HB3 H 3.100 0.04 2
1078 455 106 SER C C 173.964 0.40 1
1079 455 106 SER CB C 62.099 0.40 1
1080 455 106 SER N N 119.235 0.40 1
1081 456 107 LEU H H 7.059 0.04 1
1082 456 107 LEU HA H 3.668 0.04 1
1083 456 107 LEU HB2 H 1.587 0.04 2
1084 456 107 LEU HB3 H 1.340 0.04 2
1085 456 107 LEU HG H 0.902 0.04 1
1086 456 107 LEU HD1 H 0.223 0.04 2
1087 456 107 LEU HD2 H -0.059 0.04 2
1088 456 107 LEU C C 175.180 0.40 1
1089 456 107 LEU CA C 54.884 0.40 1
1090 456 107 LEU CB C 42.982 0.40 1
1091 456 107 LEU CG C 26.454 0.40 1
1092 456 107 LEU CD1 C 24.078 0.40 2
1093 456 107 LEU CD2 C 24.910 0.40 2
1094 456 107 LEU N N 117.677 0.40 1
1095 457 108 GLN H H 7.571 0.04 1
1096 457 108 GLN HA H 3.794 0.04 1
1097 457 108 GLN HB2 H 2.110 0.04 2
1098 457 108 GLN HB3 H 2.158 0.04 2
1099 457 108 GLN HG2 H 2.086 0.04 2
1100 457 108 GLN HG3 H 1.975 0.04 2
1101 457 108 GLN HE21 H 7.580 0.04 2
1102 457 108 GLN HE22 H 7.580 0.04 2
1103 457 108 GLN C C 174.008 0.40 1
1104 457 108 GLN CA C 56.859 0.40 1
1105 457 108 GLN CB C 26.526 0.40 1
1106 457 108 GLN CG C 34.447 0.40 1
1107 457 108 GLN N N 113.249 0.40 1
1108 457 108 GLN NE2 N 112.136 0.40 1
1109 458 109 CYS H H 8.131 0.04 1
1110 458 109 CYS HA H 4.775 0.04 1
1111 458 109 CYS HB2 H 2.934 0.04 2
1112 458 109 CYS HB3 H 2.358 0.04 2
1113 458 109 CYS C C 174.218 0.40 1
1114 458 109 CYS CA C 54.632 0.40 1
1115 458 109 CYS CB C 28.596 0.40 1
1116 458 109 CYS N N 114.503 0.40 1
1117 459 110 ASP H H 8.280 0.04 1
1118 459 110 ASP HA H 4.212 0.04 1
1119 459 110 ASP HB2 H 2.484 0.04 2
1120 459 110 ASP HB3 H 2.396 0.04 2
1121 459 110 ASP C C 175.727 0.40 1
1122 459 110 ASP CA C 56.014 0.40 1
1123 459 110 ASP CB C 41.918 0.40 1
1124 459 110 ASP N N 118.622 0.40 1
1125 460 111 ASN H H 8.851 0.04 1
1126 460 111 ASN HA H 4.657 0.04 1
1127 460 111 ASN HB2 H 2.943 0.04 2
1128 460 111 ASN HB3 H 2.708 0.04 2
1129 460 111 ASN HD21 H 6.840 0.04 2
1130 460 111 ASN HD22 H 6.840 0.04 2
1131 460 111 ASN C C 173.921 0.40 1
1132 460 111 ASN CA C 53.453 0.40 1
1133 460 111 ASN CB C 38.186 0.40 1
1134 460 111 ASN N N 116.738 0.40 1
1135 460 111 ASN ND2 N 111.64 0.40 1
1136 461 112 LEU H H 7.823 0.04 1
1137 461 112 LEU HA H 4.172 0.04 1
1138 461 112 LEU HB2 H 1.761 0.04 2
1139 461 112 LEU HB3 H 1.468 0.04 2
1140 461 112 LEU HG H 1.464 0.04 1
1141 461 112 LEU HD1 H 0.723 0.04 2
1142 461 112 LEU HD2 H 0.777 0.04 2
1143 461 112 LEU C C 174.707 0.40 1
1144 461 112 LEU CA C 57.495 0.40 1
1145 461 112 LEU CB C 44.484 0.40 1
1146 461 112 LEU CG C 27.261 0.40 1
1147 461 112 LEU CD1 C 25.865 0.40 2
1148 461 112 LEU CD2 C 24.160 0.40 2
1149 461 112 LEU N N 118.177 0.40 1
1150 462 113 LEU H H 7.537 0.04 1
1151 462 113 LEU HA H 5.754 0.04 1
1152 462 113 LEU HB2 H 1.615 0.04 2
1153 462 113 LEU HB3 H 1.115 0.04 2
1154 462 113 LEU HG H 1.405 0.04 1
1155 462 113 LEU HD1 H 0.635 0.04 2
1156 462 113 LEU HD2 H 0.724 0.04 2
1157 462 113 LEU C C 177.350 0.40 1
1158 462 113 LEU CA C 52.335 0.40 1
1159 462 113 LEU CB C 44.914 0.40 1
1160 462 113 LEU CG C 26.920 0.40 1
1161 462 113 LEU CD1 C 27.689 0.40 2
1162 462 113 LEU CD2 C 23.808 0.40 2
1163 462 113 LEU N N 112.916 0.40 1
1164 463 114 SER H H 8.533 0.04 1
1165 463 114 SER HA H 4.683 0.04 1
1166 463 114 SER HB2 H 3.691 0.04 2
1167 463 114 SER HB3 H 3.341 0.04 2
1168 463 114 SER C C 173.358 0.40 1
1169 463 114 SER CA C 56.643 0.40 1
1170 463 114 SER CB C 65.490 0.40 1
1171 463 114 SER N N 113.745 0.40 1
1172 464 115 SER H H 8.763 0.04 1
1173 464 115 SER HA H 4.915 0.04 1
1174 464 115 SER HB2 H 4.166 0.04 2
1175 464 115 SER HB3 H 3.823 0.04 2
1176 464 115 SER C C 173.149 0.40 1
1177 464 115 SER CA C 59.481 0.40 1
1178 464 115 SER CB C 63.716 0.40 1
1179 464 115 SER N N 120.184 0.40 1
1180 465 116 GLN H H 8.197 0.04 1
1181 465 116 GLN HA H 4.516 0.04 1
1182 465 116 GLN HB2 H 1.727 0.04 2
1183 465 116 GLN HB3 H 1.440 0.04 2
1184 465 116 GLN HG2 H 2.088 0.04 2
1185 465 116 GLN HG3 H 2.088 0.04 2
1186 465 116 GLN HE21 H 7.337 0.04 2
1187 465 116 GLN HE22 H 7.337 0.04 2
1188 465 116 GLN CA C 52.438 0.40 1
1189 465 116 GLN CB C 29.992 0.40 1
1190 465 116 GLN CG C 33.423 0.40 1
1191 465 116 GLN N N 121.923 0.40 1
1192 465 116 GLN NE2 N 112.595 0.40 1
1193 466 117 PRO HA H 3.153 0.04 1
1194 466 117 PRO HB2 H 1.451 0.04 2
1195 466 117 PRO HB3 H 1.380 0.04 2
1196 466 117 PRO HG2 H 1.523 0.04 2
1197 466 117 PRO HG3 H 1.116 0.04 2
1198 466 117 PRO HD2 H 3.138 0.04 2
1199 466 117 PRO HD3 H 2.903 0.04 2
1200 466 117 PRO C C 176.898 0.40 1
1201 466 117 PRO CA C 62.110 0.40 1
1202 466 117 PRO CB C 31.890 0.40 1
1203 466 117 PRO CG C 26.654 0.40 1
1204 466 117 PRO CD C 49.548 0.40 1
1205 467 118 PHE H H 8.466 0.04 1
1206 467 118 PHE HA H 4.175 0.04 1
1207 467 118 PHE HB2 H 3.097 0.04 2
1208 467 118 PHE HB3 H 2.699 0.04 2
1209 467 118 PHE HD1 H 7.084 0.04 3
1210 467 118 PHE HE1 H 6.739 0.04 3
1211 467 118 PHE C C 175.453 0.40 1
1212 467 118 PHE CA C 58.881 0.40 1
1213 467 118 PHE CB C 39.737 0.40 1
1214 467 118 PHE CD1 C 132.026 0.40 3
1215 467 118 PHE CE1 C 130.676 0.40 3
1216 467 118 PHE N N 120.533 0.40 1
1217 468 119 SER H H 7.733 0.04 1
1218 468 119 SER N N 121.289 0.40 1
stop_
save_