============================================================================= 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. TYR 13 0.840 65.398 30.861 45.819 -99.200 -91.000 HIS 20 0.900 62.848 49.268 43.524 -99.200 -91.000 TYR 29 0.840 65.253 43.153 38.794 -99.200 -91.000 TYR 32 0.840 71.374 30.278 44.744 -99.200 -91.000 HIS 43 0.900 81.862 29.655 34.849 -99.200 -91.000 PHE 46 1.000 74.075 33.495 28.648 -99.200 -91.000 TYR 48 0.840 72.891 38.341 32.770 -99.200 -91.000 TYR 58 0.840 57.624 29.900 41.651 -99.200 -91.000 TRP 68 1.040 52.363 24.212 29.590 -99.200 -91.000 TRP6 68 1.020 53.015 23.254 31.655 -99.200 -91.000 TYR 77 0.840 52.359 29.467 25.108 -99.200 -91.000 PHE 99 1.000 62.828 21.944 34.314 -99.200 -91.000 PHE 103 1.000 69.201 26.533 40.699 -99.200 -91.000 TYR 132 0.840 45.804 20.931 56.048 -99.200 -91.000 PHE 143 1.000 53.709 15.727 47.351 -99.200 -91.000 PHE 144 1.000 50.140 18.364 49.839 -99.200 -91.000 PHE 152 1.000 52.129 13.082 51.520 -99.200 -91.000 TRP 156 1.040 43.629 17.582 45.706 -99.200 -91.000 TRP6 156 1.020 44.253 19.827 45.285 -99.200 -91.000 TYR 158 0.840 41.302 21.453 54.872 -99.200 -91.000 PHE 167 1.000 44.512 25.614 47.205 -99.200 -91.000 TYR 185 0.840 47.138 29.154 56.111 -99.200 -91.000 TYR 187 0.840 52.449 28.851 52.227 -99.200 -91.000 TYR 196 0.840 65.116 34.739 53.204 -99.200 -91.000 TYR 217 0.840 64.047 25.448 43.997 -99.200 -91.000 TRP 251 1.040 72.444 35.741 47.815 -99.200 -91.000 TRP6 251 1.020 71.878 38.027 48.077 -99.200 -91.000 TRP 252 1.040 68.403 29.966 52.181 -99.200 -91.000 TRP6 252 1.020 68.550 30.363 49.855 -99.200 -91.000 TYR 253 0.840 71.542 28.609 56.370 -99.200 -91.000