============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 11 0.900 58.685 87.042 62.696 -99.200 -91.000 PHE 21 1.000 43.812 79.073 56.340 -99.200 -91.000 PHE 30 1.000 48.741 83.309 67.105 -99.200 -91.000 PHE 41 1.000 49.015 87.605 63.737 -99.200 -91.000 PHE 49 1.000 39.214 83.415 69.261 -99.200 -91.000 TYR 50 0.840 49.941 83.722 71.924 -99.200 -91.000 PHE 51 1.000 47.438 76.980 74.787 -99.200 -91.000 HIS 52 0.900 53.781 81.661 76.090 -99.200 -91.000 PHE 64 1.000 47.070 75.244 69.609 -99.200 -91.000 TYR 67 0.840 42.651 79.468 73.891 -99.200 -91.000 TYR 95 0.840 69.444 60.771 72.162 -99.200 -91.000 PHE 98 1.000 68.707 64.219 65.560 -99.200 -91.000 TYR 100 0.840 63.097 72.212 71.909 -99.200 -91.000 TYR 110 0.840 51.267 60.437 65.549 -99.200 -91.000 PHE 136 1.000 62.235 67.055 49.240 -99.200 -91.000 TYR 145 0.840 65.342 73.259 59.123 -99.200 -91.000 HIS 157 0.900 54.876 59.237 52.148 -99.200 -91.000 TRP 176 1.040 66.413 83.720 51.860 -99.200 -91.000 TRP6 176 1.020 68.114 84.954 50.778 -99.200 -91.000 PHE 181 1.000 66.617 89.950 51.157 -99.200 -91.000 PHE 206 1.000 45.514 75.790 43.904 -99.200 -91.000 PHE 212 1.000 42.256 63.325 41.362 -99.200 -91.000 TYR 230 0.840 78.733 69.353 38.516 -99.200 -91.000 HIS 231 0.900 85.353 76.344 41.067 -99.200 -91.000 TRP 234 1.040 76.024 77.390 32.251 -99.200 -91.000 TRP6 234 1.020 75.069 78.938 30.748 -99.200 -91.000 TRP 236 1.040 75.648 79.231 40.878 -99.200 -91.000 TRP6 236 1.020 75.244 79.830 43.131 -99.200 -91.000 PHE 237 1.000 83.091 81.659 39.120 -99.200 -91.000 TYR 238 0.840 83.963 74.624 47.616 -99.200 -91.000