============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 60.364 88.766 87.584 -99.200 -91.000 PHE 14 1.000 64.271 95.976 78.194 -99.200 -91.000 TYR 18 0.840 68.182 90.021 84.145 -99.200 -91.000 TYR 22 0.840 72.399 95.750 79.410 -99.200 -91.000 TYR 28 0.840 56.435 103.211 73.985 -99.200 -91.000 PHE 30 1.000 62.314 93.280 73.778 -99.200 -91.000 TYR 37 0.840 59.078 88.298 64.229 -99.200 -91.000 TYR 49 0.840 56.185 77.352 84.158 -99.200 -91.000 PHE 52 1.000 51.145 79.926 85.017 -99.200 -91.000 HIS 55 0.900 58.418 79.801 76.349 -99.200 -91.000 PHE 57 1.000 61.048 79.657 71.451 -99.200 -91.000 PHE 61 1.000 63.642 93.539 68.724 -99.200 -91.000 TYR 78 0.840 88.399 81.649 84.044 -99.200 -91.000 TYR 83 0.840 72.992 81.449 99.827 -99.200 -91.000 TRP 97 1.040 77.808 85.376 88.783 -99.200 -91.000 TRP6 97 1.020 77.198 85.101 91.042 -99.200 -91.000 PHE 98 1.000 81.190 80.360 83.169 -99.200 -91.000 TYR 113 0.840 67.174 81.814 66.139 -99.200 -91.000 TYR 119 0.840 54.505 83.711 84.108 -99.200 -91.000 TRP 147 1.040 48.593 85.574 75.804 -99.200 -91.000 TRP6 147 1.020 48.981 83.811 77.325 -99.200 -91.000 TYR 148 0.840 50.288 92.538 80.681 -99.200 -91.000 PHE 159 1.000 66.398 73.969 71.625 -99.200 -91.000 TYR 187 0.840 64.948 70.064 90.902 -99.200 -91.000 PHE 193 1.000 70.629 73.961 79.334 -99.200 -91.000 TRP 194 1.040 69.581 75.336 83.934 -99.200 -91.000 TRP6 194 1.020 70.645 77.292 83.128 -99.200 -91.000 HIS 197 0.900 74.498 73.844 79.213 -99.200 -91.000