============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 35.197 44.970 52.881 -99.200 -91.000 TRP6 14 1.020 37.278 45.395 53.896 -99.200 -91.000 PHE 19 1.000 17.026 41.736 56.273 -99.200 -91.000 TRP 37 1.040 28.249 58.570 48.925 -99.200 -91.000 TRP6 37 1.020 26.595 58.844 47.277 -99.200 -91.000 HIS 43 0.900 21.832 41.357 40.020 -99.200 -91.000 TYR 47 0.840 16.561 40.657 36.296 -99.200 -91.000 TRP 49 1.040 13.281 37.338 38.281 -99.200 -91.000 TRP6 49 1.020 14.989 36.696 39.780 -99.200 -91.000 PHE 53 1.000 12.993 45.502 45.716 -99.200 -91.000 HIS 65 0.900 30.598 35.964 61.883 -99.200 -91.000 TYR 70 0.840 19.564 44.715 66.573 -99.200 -91.000 TYR 84 0.840 22.470 59.303 43.080 -99.200 -91.000 HIS 86 0.900 26.541 53.499 33.889 -99.200 -91.000 TYR 89 0.840 20.751 46.898 35.302 -99.200 -91.000 TRP 91 1.040 16.305 45.892 32.060 -99.200 -91.000 TRP6 91 1.020 14.739 44.468 31.017 -99.200 -91.000 TYR 113 0.840 33.042 43.950 65.897 -99.200 -91.000 HIS 115 0.900 38.192 51.060 58.432 -99.200 -91.000 HIS 129 0.900 48.639 41.630 35.731 -99.200 -91.000 PHE 132 1.000 48.853 38.790 40.150 -99.200 -91.000 TRP 139 1.040 25.317 36.536 55.671 -99.200 -91.000 TRP6 139 1.020 25.963 38.802 55.480 -99.200 -91.000 TRP 146 1.040 17.853 27.761 48.150 -99.200 -91.000 TRP6 146 1.020 17.375 29.279 46.418 -99.200 -91.000 PHE 183 1.000 36.542 40.798 37.905 -99.200 -91.000 TYR 187 0.840 40.268 27.532 42.350 -99.200 -91.000 PHE 206 1.000 37.398 38.829 42.665 -99.200 -91.000 TYR 212 0.840 53.141 47.476 44.512 -99.200 -91.000 TRP 216 1.040 42.036 43.384 52.931 -99.200 -91.000 TRP6 216 1.020 41.922 41.250 51.944 -99.200 -91.000 TYR 217 0.840 43.438 49.522 46.820 -99.200 -91.000 TRP 224 1.040 26.470 37.865 34.234 -99.200 -91.000 TRP6 224 1.020 26.599 36.105 32.673 -99.200 -91.000 TYR 234 0.840 35.711 29.625 34.156 -99.200 -91.000 PHE 236 1.000 31.216 35.809 33.009 -99.200 -91.000 TYR 237 0.840 32.957 37.627 40.669 -99.200 -91.000 HIS 239 0.900 37.381 45.784 35.188 -99.200 -91.000 PHE 241 1.000 41.136 51.569 36.966 -99.200 -91.000 TRP 246 1.040 27.715 56.393 36.951 -99.200 -91.000 TRP6 246 1.020 27.120 54.966 38.707 -99.200 -91.000