============================================================================= 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 56.408 -3.194 3.773 -99.200 -91.000 TRP6 14 1.020 57.969 -4.942 3.625 -99.200 -91.000 PHE 19 1.000 50.366 14.879 -1.019 -99.200 -91.000 TRP 37 1.040 44.648 -5.654 -5.621 -99.200 -91.000 TRP6 37 1.020 42.456 -5.016 -5.037 -99.200 -91.000 HIS 43 0.900 41.014 6.381 10.992 -99.200 -91.000 TYR 47 0.840 35.970 9.299 12.651 -99.200 -91.000 TRP 49 1.040 37.544 13.865 13.326 -99.200 -91.000 TRP6 49 1.020 39.576 12.645 13.316 -99.200 -91.000 PHE 53 1.000 39.834 13.029 2.448 -99.200 -91.000 HIS 65 0.900 64.481 7.909 4.152 -99.200 -91.000 TYR 70 0.840 58.618 13.625 -8.174 -99.200 -91.000 TYR 84 0.840 37.195 -2.856 -3.810 -99.200 -91.000 HIS 86 0.900 34.645 -5.393 6.912 -99.200 -91.000 TYR 89 0.840 34.964 2.153 9.382 -99.200 -91.000 TRP 91 1.040 30.941 5.422 10.728 -99.200 -91.000 TRP6 91 1.020 29.776 7.354 11.444 -99.200 -91.000 TYR 113 0.840 65.301 2.730 -3.711 -99.200 -91.000 HIS 115 0.900 59.685 -7.117 -2.986 -99.200 -91.000 HIS 129 0.900 51.545 -17.029 20.293 -99.200 -91.000 PHE 132 1.000 56.357 -14.105 20.203 -99.200 -91.000 TRP 139 1.040 57.101 10.071 6.199 -99.200 -91.000 TRP6 139 1.020 56.573 8.663 4.373 -99.200 -91.000 TRP 146 1.040 49.827 23.560 25.093 -99.200 -91.000 TRP6 146 1.020 48.064 24.996 25.701 -99.200 -91.000 PHE 183 1.000 47.700 -5.994 16.397 -99.200 -91.000 TYR 187 0.840 58.298 -0.999 24.711 -99.200 -91.000 PHE 206 1.000 52.321 -4.630 15.228 -99.200 -91.000 TYR 212 0.840 58.792 -20.017 12.862 -99.200 -91.000 TRP 216 1.040 60.672 -7.718 6.938 -99.200 -91.000 TRP6 216 1.020 60.928 -6.673 9.049 -99.200 -91.000 TYR 217 0.840 54.397 -13.741 6.583 -99.200 -91.000 TRP 224 1.040 40.961 2.052 18.083 -99.200 -91.000 TRP6 224 1.020 40.793 2.209 20.428 -99.200 -91.000 TYR 234 0.840 49.024 -0.696 27.294 -99.200 -91.000 PHE 236 1.000 43.286 -0.821 21.837 -99.200 -91.000 TYR 237 0.840 49.399 -0.911 16.254 -99.200 -91.000 HIS 239 0.900 44.093 -10.619 14.210 -99.200 -91.000 PHE 241 1.000 44.939 -15.382 10.143 -99.200 -91.000 TRP 246 1.040 36.138 -7.249 3.365 -99.200 -91.000 TRP6 246 1.020 37.541 -5.352 3.232 -99.200 -91.000