============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 42.057 -9.558 41.308 -99.200 -91.000 PHE 19 1.000 35.084 -5.366 35.936 -99.200 -91.000 HIS 37 0.900 52.150 1.147 35.513 -99.200 -91.000 TYR 38 0.840 45.008 0.781 35.661 -99.200 -91.000 TYR 49 0.840 43.265 -3.205 32.766 -99.200 -91.000 PHE 51 1.000 41.112 2.748 30.111 -99.200 -91.000 PHE 55 1.000 30.462 8.489 27.100 -99.200 -91.000 HIS 64 0.900 30.394 26.942 33.570 -99.200 -91.000 TYR 66 0.840 36.932 18.176 28.919 -99.200 -91.000 PHE 78 1.000 35.911 4.045 26.789 -99.200 -91.000 PHE 85 1.000 47.214 -0.439 25.379 -99.200 -91.000 HIS 94 0.900 26.265 9.486 33.565 -99.200 -91.000 HIS 97 0.900 21.340 10.851 24.197 -99.200 -91.000 PHE 114 1.000 23.868 9.959 39.012 -99.200 -91.000 PHE 139 1.000 19.845 6.164 46.898 -99.200 -91.000 PHE 152 1.000 19.603 -3.557 34.107 -99.200 -91.000 HIS 153 0.900 17.121 -11.515 35.769 -99.200 -91.000 PHE 169 1.000 28.597 4.251 60.256 -99.200 -91.000 TYR 171 0.840 23.871 14.569 58.763 -99.200 -91.000 PHE 181 1.000 31.437 -7.163 49.116 -99.200 -91.000 PHE 195 1.000 34.977 -3.245 48.186 -99.200 -91.000 HIS 199 0.900 34.225 5.814 42.188 -99.200 -91.000 PHE 222 1.000 34.652 0.462 38.794 -99.200 -91.000 HIS 226 0.900 47.336 9.810 42.076 -99.200 -91.000 HIS 234 0.900 54.327 5.526 42.512 -99.200 -91.000 PHE 239 1.000 45.387 -2.023 45.837 -99.200 -91.000