============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 11 1.000 -60.067 8.493 -27.881 -99.200 -91.000 PHE 21 1.000 -55.465 22.969 -23.368 -99.200 -91.000 TYR 22 0.840 -48.737 21.444 -32.065 -99.200 -91.000 HIS 23 0.900 -44.935 23.063 -30.650 -99.200 -91.000 HIS 25 0.900 -52.873 28.129 -29.979 -99.200 -91.000 HIS 26 0.900 -43.866 29.249 -25.126 -99.200 -91.000 TYR 28 0.840 -37.993 31.268 -28.233 -99.200 -91.000 HIS 29 0.900 -45.264 29.223 -33.930 -99.200 -91.000 HIS 33 0.900 -46.959 33.218 -38.087 -99.200 -91.000 TRP 45 1.040 -37.585 26.798 -32.117 -99.200 -91.000 TRP6 45 1.020 -37.722 26.020 -34.351 -99.200 -91.000 PHE 50 1.000 -29.182 17.739 -34.638 -99.200 -91.000 TYR 51 0.840 -31.318 16.060 -25.991 -99.200 -91.000 TYR 52 0.840 -39.667 16.604 -30.188 -99.200 -91.000 TRP 76 1.040 -43.517 3.340 -34.275 -99.200 -91.000 TRP6 76 1.020 -45.665 4.347 -34.164 -99.200 -91.000 HIS 83 0.900 -37.487 12.110 -37.819 -99.200 -91.000 HIS 87 0.900 -30.139 6.552 -50.485 -99.200 -91.000 TRP 96 1.040 -33.274 20.858 -36.641 -99.200 -91.000 TRP6 96 1.020 -35.562 21.379 -36.664 -99.200 -91.000 HIS 115 0.900 -24.299 26.383 -28.689 -99.200 -91.000 PHE 122 1.000 -32.863 18.133 -16.508 -99.200 -91.000 TYR 127 0.840 -42.286 11.597 -27.406 -99.200 -91.000 PHE 130 1.000 -46.008 7.496 -21.804 -99.200 -91.000 TRP 136 1.040 -47.681 -2.775 -28.446 -99.200 -91.000 TRP6 136 1.020 -48.928 -1.991 -30.294 -99.200 -91.000 PHE 148 1.000 -53.326 18.662 -32.235 -99.200 -91.000 HIS 153 0.900 -43.397 20.840 -39.459 -99.200 -91.000 TRP 160 1.040 -39.977 31.175 -39.523 -99.200 -91.000 TRP6 160 1.020 -38.337 29.628 -38.879 -99.200 -91.000 HIS 163 0.900 -42.492 38.554 -40.570 -99.200 -91.000 TYR 164 0.840 -37.533 35.910 -38.702 -99.200 -91.000 TRP 166 1.040 -31.919 36.911 -41.223 -99.200 -91.000 TRP6 166 1.020 -31.643 35.073 -39.759 -99.200 -91.000 TYR 172 0.840 -37.445 28.817 -45.381 -99.200 -91.000 PHE 173 1.000 -35.710 18.066 -48.252 -99.200 -91.000 PHE 174 1.000 -37.749 18.171 -40.103 -99.200 -91.000 PHE 175 1.000 -39.246 24.553 -40.572 -99.200 -91.000 HIS 188 0.900 -49.508 2.377 -37.656 -99.200 -91.000 TYR 196 0.840 -54.711 0.477 -25.893 -99.200 -91.000 PHE 212 1.000 -45.393 12.490 -21.003 -99.200 -91.000 TRP 218 1.040 -46.529 26.329 -22.675 -99.200 -91.000 TRP6 218 1.020 -48.102 27.068 -24.300 -99.200 -91.000 TYR 228 0.840 -31.382 30.462 -26.328 -99.200 -91.000 TYR 235 0.840 -25.998 26.358 -13.099 -99.200 -91.000 HIS 236 0.900 -29.796 34.664 -14.077 -99.200 -91.000 TRP 244 1.040 -25.782 23.901 -20.742 -99.200 -91.000 TRP6 244 1.020 -26.012 26.229 -20.990 -99.200 -91.000 HIS 245 0.900 -26.814 17.364 -17.723 -99.200 -91.000 HIS 253 0.900 -17.039 7.232 -19.119 -99.200 -91.000 HIS 254 0.900 -16.972 14.084 -21.448 -99.200 -91.000