============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 7 1.000 -40.735 -0.259 -16.506 -99.200 -91.000 PHE 16 1.000 -19.599 4.439 -24.313 -99.200 -91.000 HIS 20 0.900 -21.485 19.292 -45.688 -99.200 -91.000 TRP 21 1.040 -25.162 22.102 -47.320 -99.200 -91.000 TRP6 21 1.020 -26.618 23.298 -45.879 -99.200 -91.000 TRP 34 1.040 -16.232 41.033 -34.991 -99.200 -91.000 TRP6 34 1.020 -17.744 39.713 -33.726 -99.200 -91.000 TYR 37 0.840 -13.157 34.770 -35.842 -99.200 -91.000 TRP 44 1.040 -18.494 31.453 -36.434 -99.200 -91.000 TRP6 44 1.020 -20.174 30.402 -35.138 -99.200 -91.000 PHE 52 1.000 -23.731 14.225 -24.568 -99.200 -91.000 PHE 65 1.000 -28.735 3.258 -28.413 -99.200 -91.000 PHE 69 1.000 -24.179 18.082 -33.099 -99.200 -91.000 TRP 76 1.040 -15.755 16.878 -15.587 -99.200 -91.000 TRP6 76 1.020 -16.855 18.235 -13.987 -99.200 -91.000 HIS 79 0.900 -20.350 9.242 -16.456 -99.200 -91.000 HIS 81 0.900 -25.185 19.072 -10.955 -99.200 -91.000 PHE 82 1.000 -26.986 17.287 -14.975 -99.200 -91.000 PHE 85 1.000 -29.620 15.062 -9.137 -99.200 -91.000 PHE 98 1.000 -36.731 19.114 -17.318 -99.200 -91.000 TYR 101 0.840 -34.554 24.097 -15.634 -99.200 -91.000 PHE 105 1.000 -24.536 25.341 -9.013 -99.200 -91.000 TYR 106 0.840 -24.019 23.529 -13.712 -99.200 -91.000 TRP 124 1.040 -39.182 10.127 -22.459 -99.200 -91.000 TRP6 124 1.020 -41.408 9.378 -22.227 -99.200 -91.000 TYR 136 0.840 -45.803 5.671 -32.904 -99.200 -91.000 PHE 149 1.000 -39.638 14.336 -42.197 -99.200 -91.000 TYR 150 0.840 -38.942 22.899 -42.795 -99.200 -91.000 PHE 163 1.000 -37.290 16.166 -48.217 -99.200 -91.000 TRP 164 1.040 -44.156 20.457 -46.275 -99.200 -91.000 TRP6 164 1.020 -44.374 22.766 -45.814 -99.200 -91.000 PHE 172 1.000 -23.647 37.941 -49.204 -99.200 -91.000 HIS 178 0.900 -28.635 50.547 -47.100 -99.200 -91.000 PHE 187 1.000 -29.155 32.562 -51.099 -99.200 -91.000 HIS 191 0.900 -31.850 29.370 -53.627 -99.200 -91.000 PHE 199 1.000 -40.500 23.393 -52.996 -99.200 -91.000 TYR 205 0.840 -26.535 29.623 -36.619 -99.200 -91.000 TYR 211 0.840 -29.932 43.180 -43.038 -99.200 -91.000 TRP 226 1.040 -40.537 29.372 -41.489 -99.200 -91.000 TRP6 226 1.020 -41.835 27.443 -41.863 -99.200 -91.000 TRP 227 1.040 -39.024 36.428 -44.024 -99.200 -91.000 TRP6 227 1.020 -37.098 36.962 -45.286 -99.200 -91.000 PHE 239 1.000 -38.701 37.312 -33.515 -99.200 -91.000 HIS 246 0.900 -42.290 43.850 -43.119 -99.200 -91.000 PHE 251 1.000 -41.233 38.260 -39.434 -99.200 -91.000 HIS 256 0.900 -29.669 28.202 -31.894 -99.200 -91.000 TYR 258 0.840 -30.929 26.514 -24.508 -99.200 -91.000 TYR 261 0.840 -40.020 27.528 -15.449 -99.200 -91.000 PHE 263 1.000 -38.896 26.642 -26.716 -99.200 -91.000 TRP 280 1.040 -28.980 23.480 -27.916 -99.200 -91.000 TRP6 280 1.020 -27.017 22.180 -28.136 -99.200 -91.000 TYR 297 0.840 -51.840 31.298 -24.958 -99.200 -91.000 HIS 304 0.900 -32.125 21.440 -35.279 -99.200 -91.000 TYR 309 0.840 -32.717 10.925 -30.355 -99.200 -91.000 TYR 311 0.840 -37.551 11.561 -37.960 -99.200 -91.000 HIS 312 0.900 -40.483 7.250 -32.114 -99.200 -91.000 PHE 313 1.000 -43.215 17.300 -29.905 -99.200 -91.000 PHE 322 1.000 -45.216 22.428 -41.321 -99.200 -91.000 TYR 325 0.840 -33.730 14.025 -43.213 -99.200 -91.000 PHE 339 1.000 -28.860 11.475 -34.600 -99.200 -91.000 PHE 343 1.000 -27.657 6.042 -33.629 -99.200 -91.000 TYR 353 0.840 -44.315 9.422 -48.074 -99.200 -91.000 PHE 364 1.000 -36.888 8.669 -28.573 -99.200 -91.000 TYR 381 0.840 -10.811 11.877 -22.628 -99.200 -91.000 PHE 383 1.000 -15.508 11.772 -15.650 -99.200 -91.000