============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 10 0.840 -20.466 30.414 18.566 -99.200 -91.000 TRP 22 1.040 -7.268 32.282 7.523 -99.200 -91.000 TRP6 22 1.020 -8.283 32.495 5.393 -99.200 -91.000 TYR 24 0.840 -6.033 34.030 18.709 -99.200 -91.000 PHE 25 1.000 -3.374 31.267 15.244 -99.200 -91.000 TYR 26 0.840 -1.920 33.626 9.928 -99.200 -91.000 PHE 33 1.000 -10.643 36.716 17.463 -99.200 -91.000 PHE 34 1.000 -9.844 37.229 22.386 -99.200 -91.000 TYR 41 0.840 -20.051 40.764 18.491 -99.200 -91.000 TYR 46 0.840 -16.600 39.215 22.167 -99.200 -91.000 PHE 55 1.000 -9.789 17.866 8.814 -99.200 -91.000 PHE 71 1.000 -10.053 35.591 33.328 -99.200 -91.000 PHE 75 1.000 -9.841 33.204 38.710 -99.200 -91.000 PHE 86 1.000 -1.939 23.234 31.195 -99.200 -91.000 TYR 90 0.840 -4.941 21.737 21.316 -99.200 -91.000 TYR 100 0.840 0.998 7.346 33.496 -99.200 -91.000 TYR 105 0.840 -3.524 18.321 29.626 -99.200 -91.000 HIS 113 0.900 -6.509 18.881 41.422 -99.200 -91.000 PHE 121 1.000 0.118 22.592 46.767 -99.200 -91.000 PHE 122 1.000 8.623 16.188 49.797 -99.200 -91.000 PHE 132 1.000 16.106 33.574 48.709 -99.200 -91.000 PHE 135 1.000 17.042 33.640 40.041 -99.200 -91.000 TYR 139 0.840 18.401 32.981 36.244 -99.200 -91.000 PHE 143 1.000 21.566 39.058 34.446 -99.200 -91.000 PHE 158 1.000 16.715 37.158 29.537 -99.200 -91.000 PHE 167 1.000 16.399 20.980 32.363 -99.200 -91.000 PHE 169 1.000 16.194 28.541 39.915 -99.200 -91.000 PHE 174 1.000 11.712 22.925 40.942 -99.200 -91.000 TYR 175 0.840 13.797 17.550 39.978 -99.200 -91.000 TRP 195 1.040 6.822 16.892 25.245 -99.200 -91.000 TRP6 195 1.020 6.584 17.947 27.347 -99.200 -91.000 PHE 198 1.000 6.434 17.223 17.174 -99.200 -91.000 HIS 201 0.900 0.607 21.496 16.029 -99.200 -91.000 HIS 218 0.900 -1.939 28.003 12.776 -99.200 -91.000 PHE 220 1.000 -5.044 17.029 8.611 -99.200 -91.000 TYR 231 0.840 7.857 12.486 27.647 -99.200 -91.000 TYR 235 0.840 10.018 8.154 32.404 -99.200 -91.000 PHE 237 1.000 17.860 15.901 34.532 -99.200 -91.000 PHE 238 1.000 12.548 16.187 34.677 -99.200 -91.000 HIS 261 0.900 5.646 9.334 31.761 -99.200 -91.000 PHE 265 1.000 2.506 19.020 31.131 -99.200 -91.000 PHE 269 1.000 3.097 22.833 28.558 -99.200 -91.000 TRP 272 1.040 13.220 25.721 30.374 -99.200 -91.000 TRP6 272 1.020 12.414 25.699 28.138 -99.200 -91.000 PHE 279 1.000 12.785 34.742 35.223 -99.200 -91.000 HIS 291 0.900 18.595 54.518 30.749 -99.200 -91.000 HIS 294 0.900 16.082 50.349 33.680 -99.200 -91.000 TYR 328 0.840 2.642 41.118 43.984 -99.200 -91.000 PHE 333 1.000 1.011 46.924 30.217 -99.200 -91.000 TYR 341 0.840 -9.970 27.821 26.221 -99.200 -91.000 HIS 353 0.900 -16.802 45.921 35.147 -99.200 -91.000 PHE 357 1.000 -23.817 39.592 29.053 -99.200 -91.000 TYR 366 0.840 -10.468 32.675 25.548 -99.200 -91.000 TYR 368 0.840 -6.251 38.383 25.306 -99.200 -91.000 PHE 379 1.000 -5.789 46.357 38.331 -99.200 -91.000 PHE 385 1.000 5.761 47.773 34.087 -99.200 -91.000 PHE 390 1.000 -0.447 45.637 41.682 -99.200 -91.000 HIS 401 0.900 -10.084 43.475 41.556 -99.200 -91.000 TRP 404 1.040 0.664 35.380 38.732 -99.200 -91.000 TRP6 404 1.020 1.654 33.213 38.653 -99.200 -91.000 PHE 425 1.000 10.269 28.022 41.805 -99.200 -91.000 PHE 433 1.000 15.345 38.066 34.996 -99.200 -91.000 PHE 438 1.000 17.045 47.006 37.699 -99.200 -91.000 TYR 441 0.840 24.212 44.128 34.623 -99.200 -91.000 PHE 444 1.000 17.235 46.416 31.775 -99.200 -91.000 PHE 459 1.000 19.514 42.464 29.140 -99.200 -91.000