============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 23 0.900 -3.252 93.583 46.931 -99.200 -91.000 PHE 27 1.000 -8.755 80.963 42.055 -99.200 -91.000 PHE 32 1.000 -9.448 66.278 47.407 -99.200 -91.000 PHE 42 1.000 -14.226 53.663 59.293 -99.200 -91.000 TRP 51 1.040 -19.288 73.619 41.181 -99.200 -91.000 TRP6 51 1.020 -17.221 72.552 41.606 -99.200 -91.000 TRP 55 1.040 -16.935 75.576 46.076 -99.200 -91.000 TRP6 55 1.020 -18.295 73.748 46.716 -99.200 -91.000 TYR 60 0.840 -6.970 78.654 54.626 -99.200 -91.000 TYR 67 0.840 -4.935 63.659 70.977 -99.200 -91.000 PHE 72 1.000 3.539 71.481 76.418 -99.200 -91.000 PHE 75 1.000 4.859 76.752 73.854 -99.200 -91.000 TRP 81 1.040 3.215 72.138 65.125 -99.200 -91.000 TRP6 81 1.020 4.119 72.282 62.942 -99.200 -91.000 TYR 93 0.840 -14.257 70.737 50.965 -99.200 -91.000 TRP 97 1.040 -2.478 80.910 48.752 -99.200 -91.000 TRP6 97 1.020 -2.579 78.851 49.912 -99.200 -91.000 TRP 111 1.040 2.117 71.432 52.819 -99.200 -91.000 TRP6 111 1.020 4.372 70.986 53.371 -99.200 -91.000 TYR 113 0.840 -2.954 67.538 56.011 -99.200 -91.000 PHE 117 1.000 0.988 58.528 56.972 -99.200 -91.000 TYR 118 0.840 -1.304 62.132 65.553 -99.200 -91.000 TYR 127 0.840 1.290 72.920 57.070 -99.200 -91.000 TYR 131 0.840 3.586 84.950 53.639 -99.200 -91.000 TYR 134 0.840 4.604 88.872 45.726 -99.200 -91.000 TYR 145 0.840 -3.126 63.292 54.352 -99.200 -91.000 PHE 150 1.000 -12.846 59.760 61.762 -99.200 -91.000 PHE 152 1.000 -3.941 56.878 56.191 -99.200 -91.000 HIS 156 0.900 -5.631 42.995 51.787 -99.200 -91.000 TRP 176 1.040 -10.297 68.909 40.882 -99.200 -91.000 TRP6 176 1.020 -9.531 71.144 40.790 -99.200 -91.000 HIS 178 0.900 -3.138 64.567 34.401 -99.200 -91.000 PHE 183 1.000 -9.343 73.950 32.481 -99.200 -91.000 PHE 184 1.000 -7.824 76.849 39.333 -99.200 -91.000 PHE 194 1.000 5.941 71.939 48.829 -99.200 -91.000 HIS 206 0.900 0.680 59.847 46.721 -99.200 -91.000 PHE 216 1.000 4.781 62.021 41.767 -99.200 -91.000 TRP 230 1.040 7.767 57.344 61.563 -99.200 -91.000 TRP6 230 1.020 6.573 58.704 60.033 -99.200 -91.000 HIS 261 0.900 -24.492 48.738 61.091 -99.200 -91.000 TRP 276 1.040 -1.584 57.415 70.709 -99.200 -91.000 TRP6 276 1.020 -1.764 57.770 68.376 -99.200 -91.000 PHE 281 1.000 5.325 46.056 70.078 -99.200 -91.000 PHE 285 1.000 8.854 59.845 65.030 -99.200 -91.000 PHE 287 1.000 2.978 58.900 64.507 -99.200 -91.000 PHE 289 1.000 -6.764 53.211 63.696 -99.200 -91.000 PHE 297 1.000 -1.062 54.180 47.518 -99.200 -91.000 PHE 298 1.000 2.361 51.671 49.890 -99.200 -91.000 PHE 311 1.000 12.837 53.434 42.881 -99.200 -91.000 PHE 327 1.000 8.104 64.990 67.146 -99.200 -91.000 PHE 328 1.000 5.828 60.651 69.422 -99.200 -91.000 TYR 331 0.840 3.796 67.121 72.771 -99.200 -91.000 PHE 336 1.000 13.687 63.515 77.244 -99.200 -91.000 PHE 349 1.000 20.574 56.618 77.073 -99.200 -91.000 HIS 359 0.900 1