============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 192.252 91.701 11.877 -99.200 -91.000 PHE 5 1.000 193.873 83.343 16.661 -99.200 -91.000 TYR 28 0.840 167.894 93.622 14.046 -99.200 -91.000 TYR 44 0.840 150.815 86.442 8.236 -99.200 -91.000 TYR 48 0.840 142.511 87.625 7.399 -99.200 -91.000 TYR 50 0.840 146.384 92.518 -2.479 -99.200 -91.000 HIS 51 0.900 143.136 83.833 1.269 -99.200 -91.000 PHE 54 1.000 139.824 83.305 -3.817 -99.200 -91.000 TYR 56 0.840 132.489 91.599 -4.027 -99.200 -91.000 PHE 57 1.000 136.272 91.741 -7.257 -99.200 -91.000 PHE 70 1.000 146.352 91.463 -9.254 -99.200 -91.000 PHE 71 1.000 141.934 91.905 -6.345 -99.200 -91.000 HIS 81 0.900 156.104 90.573 -1.210 -99.200 -91.000 TYR 88 0.840 167.108 91.479 7.745 -99.200 -91.000 PHE 108 1.000 136.792 94.063 -0.802 -99.200 -91.000 HIS 110 0.900 132.232 103.210 -5.771 -99.200 -91.000 HIS 118 0.900 135.643 100.400 -4.003 -99.200 -91.000 HIS 138 0.900 166.339 102.936 3.243 -99.200 -91.000 PHE 152 1.000 165.510 91.948 4.143 -99.200 -91.000 TYR 157 0.840 160.597 92.932 1.611 -99.200 -91.000 TYR 171 0.840 146.636 94.494 -13.633 -99.200 -91.000 HIS 182 0.900 131.769 93.243 -24.896 -99.200 -91.000 TRP 185 1.040 133.038 88.453 -19.383 -99.200 -91.000 TRP6 185 1.020 133.646 87.915 -21.602 -99.200 -91.000 HIS 186 0.900 137.991 92.108 -24.603 -99.200 -91.000 PHE 187 1.000 141.690 94.702 -16.470 -99.200 -91.000 HIS 193 0.900 142.310 83.105 -20.554 -99.200 -91.000