============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 8 1.000 -11.118 46.554 -12.489 -99.200 -91.000 TYR 22 0.840 -14.172 56.638 -12.668 -99.200 -91.000 TYR 27 0.840 0.599 49.503 -5.506 -99.200 -91.000 TYR 30 0.840 6.274 45.361 2.128 -99.200 -91.000 HIS 45 0.900 -6.225 42.358 3.506 -99.200 -91.000 TYR 54 0.840 9.652 44.640 6.747 -99.200 -91.000 PHE 55 1.000 4.187 49.769 8.485 -99.200 -91.000 TRP 62 1.040 -0.997 42.590 7.421 -99.200 -91.000 TRP6 62 1.020 -0.778 40.376 6.625 -99.200 -91.000 TRP 63 1.040 2.589 36.896 8.462 -99.200 -91.000 TRP6 63 1.020 1.993 35.958 6.360 -99.200 -91.000 PHE 66 1.000 4.966 34.385 11.298 -99.200 -91.000 TYR 77 0.840 11.002 34.244 -2.174 -99.200 -91.000 PHE 78 1.000 8.518 43.862 -6.475 -99.200 -91.000 PHE 79 1.000 7.804 38.523 0.179 -99.200 -91.000 TYR 105 0.840 -19.218 53.177 -3.829 -99.200 -91.000 PHE 109 1.000 -18.311 48.410 -1.739 -99.200 -91.000 HIS 127 0.900 -0.471 50.734 -12.598 -99.200 -91.000 HIS 132 0.900 4.599 32.328 -13.762 -99.200 -91.000 PHE 141 1.000 -11.648 37.531 2.760 -99.200 -91.000 TRP 148 1.040 -4.872 35.821 -6.975 -99.200 -91.000 TRP6 148 1.020 -3.852 36.676 -8.936 -99.200 -91.000 TYR 152 0.840 -6.801 35.552 -12.707 -99.200 -91.000 PHE 155 1.000 -0.243 36.292 -13.070 -99.200 -91.000 TYR 166 0.840 -17.384 24.861 -0.767 -99.200 -91.000 PHE 167 1.000 -16.204 31.048 8.053 -99.200 -91.000 PHE 174 1.000 -18.928 31.012 17.086 -99.200 -91.000 HIS 176 0.900 -27.460 35.400 11.597 -99.200 -91.000 PHE 187 1.000 -25.657 49.101 9.762 -99.200 -91.000 TYR 192 0.840 -21.339 53.546 9.531 -99.200 -91.000 TYR 193 0.840 -19.510 55.600 6.073 -99.200 -91.000 TYR 211 0.840 -10.477 36.185 14.641 -99.200 -91.000 PHE 221 1.000 -6.188 37.813 29.498 -99.200 -91.000 PHE 231 1.000 -20.895 42.469 41.012 -99.200 -91.000 TRP 232 1.040 -25.752 44.829 34.652 -99.200 -91.000 TRP6 232 1.020 -25.846 42.677 35.644 -99.200 -91.000 TYR 235 0.840 -15.967 40.145 39.337 -99.200 -91.000 PHE 236 1.000 -14.236 36.350 36.264 -99.200 -91.000 TYR 241 0.840 -6.820 40.507 25.043 -99.200 -91.000 TYR 244 0.840 -6.208 48.358 25.433 -99.200 -91.000 PHE 249 1.000 -11.838 45.566 14.248 -99.200 -91.000 PHE 253 1.000 -11.884 46.206 9.216 -99.200 -91.000 TYR 258 0.840 -15.891 42.712 11.697 -99.200 -91.000 HIS 260 0.900 -20.579 45.388 1.605 -99.200 -91.000 TYR 267 0.840 -13.577 30.946 -1.882 -99.200 -91.000 TYR 273 0.840 -14.315 28.343 -12.752 -99.200 -91.000 TYR 287 0.840 -4.011 24.699 -2.738 -99.200 -91.000 PHE 298 1.000 -11.245 29.394 7.790 -99.200 -91.000 TYR 304 0.840 -7.345 15.803 7.975 -99.200 -91.000 HIS 318 0.900 3.453 18.848 -2.340 -99.200 -91.000 PHE 319 1.000 -3.724 18.525 5.601 -99.200 -91.000 TYR 320 0.840 3.802 20.277 4.515 -99.200 -91.000 PHE 322 1.000 1.951 23.822 12.280 -99.200 -91.000 TYR 326 0.840 -0.482 32.763 20.654 -99.200 -91.000 HIS 328 0.900 -8.077 31.275 11.374 -99.200 -91.000 PHE 331 1.000 -2.797 33.589 9.298 -99.200 -91.000 TYR 335 0.840 9.788 33.062 11.849 -99.200 -91.000 PHE 338 1.000 1.631 28.535 10.677 -99.200 -91.000