============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 8 0.900 71.812 -4.549 59.143 -99.200 -91.000 PHE 27 1.000 63.277 5.950 65.591 -99.200 -91.000 PHE 29 1.000 69.175 12.086 67.926 -99.200 -91.000 TYR 55 0.840 75.762 17.126 66.567 -99.200 -91.000 PHE 59 1.000 68.715 17.215 60.876 -99.200 -91.000 TYR 64 0.840 64.615 18.048 58.599 -99.200 -91.000 PHE 75 1.000 58.168 0.739 67.008 -99.200 -91.000 TYR 96 0.840 66.880 -5.813 61.727 -99.200 -91.000 PHE 99 1.000 62.161 1.034 64.355 -99.200 -91.000 TYR 107 0.840 73.003 -1.838 65.647 -99.200 -91.000 TYR 115 0.840 84.021 4.838 68.524 -99.200 -91.000 PHE 118 1.000 83.589 7.536 62.821 -99.200 -91.000 PHE 129 1.000 71.545 8.107 51.712 -99.200 -91.000 HIS 144 0.900 96.450 15.495 59.618 -99.200 -91.000 PHE 172 1.000 80.678 5.256 81.179 -99.200 -91.000 TYR 178 0.840 80.122 8.047 77.401 -99.200 -91.000 HIS 182 0.900 90.901 6.168 78.786 -99.200 -91.000 PHE 185 1.000 88.945 10.867 70.521 -99.200 -91.000 HIS 199 0.900 74.055 2.740 84.662 -99.200 -91.000 TYR 205 0.840 81.202 12.564 95.240 -99.200 -91.000 TYR 207 0.840 87.390 4.598 90.535 -99.200 -91.000 TYR 215 0.840 95.140 16.406 81.245 -99.200 -91.000 PHE 217 1.000 89.350 13.472 79.010 -99.200 -91.000 TYR 239 0.840 87.265 12.091 100.096 -99.200 -91.000 HIS 250 0.900 95.228 20.362 83.082 -99.200 -91.000 TYR 253 0.840 83.451 20.870 83.958 -99.200 -91.000 TRP 259 1.040 81.318 13.860 74.178 -99.200 -91.000 TRP6 259 1.020 83.207 12.437 74.195 -99.200 -91.000 TYR 260 0.840 72.812 9.283 78.035 -99.200 -91.000