============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 1 1.000 77.300 96.648 39.549 -99.200 -91.000 PHE 5 1.000 78.474 97.453 29.023 -99.200 -91.000 PHE 30 1.000 76.307 75.575 38.945 -99.200 -91.000 TYR 32 0.840 75.547 71.858 26.910 -99.200 -91.000 HIS 41 0.900 76.280 80.101 27.504 -99.200 -91.000 HIS 57 0.900 70.879 66.062 29.834 -99.200 -91.000 PHE 63 1.000 68.357 66.928 39.122 -99.200 -91.000 TYR 68 0.840 76.266 78.590 44.000 -99.200 -91.000 PHE 120 1.000 67.157 75.073 14.620 -99.200 -91.000 HIS 135 0.900 55.140 84.906 38.422 -99.200 -91.000 TYR 137 0.840 58.648 87.429 36.116 -99.200 -91.000 PHE 153 1.000 68.809 86.326 41.015 -99.200 -91.000 PHE 154 1.000 60.692 90.340 47.313 -99.200 -91.000 TRP 181 1.040 71.171 99.448 36.357 -99.200 -91.000 TRP6 181 1.020 70.944 97.175 35.745 -99.200 -91.000 TYR 190 0.840 55.736 86.854 47.039 -99.200 -91.000 HIS 202 0.900 48.553 84.258 66.769 -99.200 -91.000 TYR 219 0.840 56.187 66.796 61.470 -99.200 -91.000 PHE 234 1.000 61.039 75.779 71.575 -99.200 -91.000 TYR 252 0.840 68.617 69.108 69.136 -99.200 -91.000 HIS 260 0.900 69.018 59.530 66.103 -99.200 -91.000 HIS 265 0.900 61.853 53.352 54.093 -99.200 -91.000 TYR 269 0.840 65.099 56.065 68.288 -99.200 -91.000 TYR 272 0.840 56.382 54.772 72.418 -99.200 -91.000 HIS 276 0.900 51.831 55.677 72.224 -99.200 -91.000 PHE 283 1.000 57.939 74.892 66.568 -99.200 -91.000 PHE 287 1.000 51.336 68.657 60.146 -99.200 -91.000 PHE 298 1.000 51.817 62.842 62.075 -99.200 -91.000 HIS 306 0.900 51.682 73.481 60.055 -99.200 -91.000 HIS 321 0.900 44.243 70.364 68.583 -99.200 -91.000 PHE 350 1.000 58.206 69.170 78.974 -99.200 -91.000 TRP 353 1.040 57.577 62.832 75.923 -99.200 -91.000 TRP6 353 1.020 56.346 61.013 75.048 -99.200 -91.000 PHE 364 1.000 60.803 48.012 69.368 -99.200 -91.000 PHE 368 1.000 75.422 47.894 60.702 -99.200 -91.000 PHE 371 1.000 73.453 38.810 56.119 -99.200 -91.000 TYR 379 0.840 81.643 48.827 59.485 -99.200 -91.000 HIS 401 0.900 71.493 55.825 46.745 -99.200 -91.000 TRP 404 1.040 70.261 51.517 54.484 -99.200 -91.000 TRP6 404 1.020 70.573 50.146 52.590 -99.200 -91.000 PHE 408 1.000 72.467 52.863 59.784 -99.200 -91.000 TYR 409 0.840 78.072 62.059 57.479 -99.200 -91.000 TYR 411 0.840 73.614 64.111 57.300 -99.200 -91.000 TRP 417 1.040 69.521 65.186 53.968 -99.200 -91.000 TRP6 417 1.020 70.232 63.074 53.186 -99.200 -91.000 PHE 428 1.000 69.633 66.669 44.288 -99.200 -91.000 PHE 454 1.000 78.639 57.359 39.212 -99.200 -91.000 HIS 480 0.900 69.547 43.358 41.882 -99.200 -91.000 TRP 487 1.040 58.156 49.809 48.439 -99.200 -91.000 TRP6 487 1.020 55.902 50.502 48.650 -99.200 -91.000 PHE 491 1.000 54.471 46.042 50.232 -99.200 -91.000 TYR 492 0.840 53.806 44.552 43.510 -99.200 -91.000 HIS 498 0.900 60.646 44.770 33.098 -99.200 -91.000 PHE 500 1.000 71.201 41.808 37.210 -99.200 -91.000 PHE 511 1