============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 4 0.840 -7.227 24.108 -26.172 -99.200 -91.000 HIS 22 0.900 -14.308 17.113 -29.910 -99.200 -91.000 PHE 34 1.000 -18.544 41.662 -10.096 -99.200 -91.000 TYR 38 0.840 -23.828 45.264 -0.743 -99.200 -91.000 TRP 43 1.040 -31.810 51.580 -3.116 -99.200 -91.000 TRP6 43 1.020 -31.472 53.551 -4.360 -99.200 -91.000 HIS 46 0.900 -22.854 43.436 -9.339 -99.200 -91.000 TRP 52 1.040 -14.796 45.735 -20.674 -99.200 -91.000 TRP6 52 1.020 -15.083 43.975 -22.252 -99.200 -91.000 TRP 88 1.040 -24.297 50.396 -23.577 -99.200 -91.000 TRP6 88 1.020 -25.408 48.370 -23.088 -99.200 -91.000 TYR 97 0.840 -27.950 54.484 -10.859 -99.200 -91.000 TRP 102 1.040 -28.917 38.591 -8.839 -99.200 -91.000 TRP6 102 1.020 -29.610 37.378 -6.932 -99.200 -91.000 HIS 113 0.900 -47.721 52.758 -6.828 -99.200 -91.000 TYR 122 0.840 -50.413 41.310 -19.983 -99.200 -91.000 TYR 134 0.840 -35.100 37.438 -9.096 -99.200 -91.000 PHE 135 1.000 -38.550 38.423 -11.724 -99.200 -91.000 TRP 142 1.040 -34.889 54.020 -9.376 -99.200 -91.000 TRP6 142 1.020 -32.686 54.815 -9.679 -99.200 -91.000 HIS 146 0.900 -31.204 58.808 -10.536 -99.200 -91.000 PHE 161 1.000 -32.754 45.772 -20.576 -99.200 -91.000 TRP 167 1.040 -21.363 45.768 -19.653 -99.200 -91.000 TRP6 167 1.020 -21.075 47.951 -20.520 -99.200 -91.000 TRP 170 1.040 -23.011 47.687 -27.724 -99.200 -91.000 TRP6 170 1.020 -21.652 49.411 -26.894 -99.200 -91.000 HIS 178 0.900 -28.678 46.424 -27.725 -99.200 -91.000 TYR 182 0.840 -35.965 33.304 -28.258 -99.200 -91.000 PHE 191 1.000 -38.851 37.515 -25.258 -99.200 -91.000 HIS 194 0.900 -46.989 31.722 -22.855 -99.200 -91.000 TRP 198 1.040 -37.750 42.973 -27.021 -99.200 -91.000 TRP6 198 1.020 -36.680 42.409 -24.961 -99.200 -91.000 TYR 223 0.840 -25.515 34.416 -29.923 -99.200 -91.000 PHE 244 1.000 -27.584 22.974 -23.522 -99.200 -91.000 TYR 258 0.840 -27.624 23.514 -3.016 -99.200 -91.000 PHE 263 1.000 -30.913 31.790 -8.136 -99.200 -91.000 TYR 293 0.840 -42.072 27.954 -22.980 -99.200 -91.000 PHE 300 1.000 -35.820 36.891 -3.178 -99.200 -91.000 TRP 308 1.040 -26.016 39.299 8.169 -99.200 -91.000 TRP6 308 1.020 -26.804 38.090 10.022 -99.200 -91.000 TYR 320 0.840 -13.477 23.948 12.746 -99.200 -91.000 PHE 321 1.000 -15.957 27.938 13.482 -99.200 -91.000 TYR 332 0.840 -36.465 24.997 12.954 -99.200 -91.000 PHE 337 1.000 -30.171 37.677 6.527 -99.200 -91.000 TYR 344 0.840 -42.522 30.478 1.958 -99.200 -91.000 TRP 345 1.040 -42.346 34.522 -5.386 -99.200 -91.000 TRP6 345 1.020 -40.384 35.501 -6.243 -99.200 -91.000 TYR 348 0.840 -44.768 44.491 2.415 -99.200 -91.000 PHE 354 1.000 -38.776 32.804 14.351 -99.200 -91.000 HIS 364 0.900 -25.976 24.862 19.698 -99.200 -91.000 TYR 375 0.840 -35.056 22.932 7.893 -99.200 -91.000 HIS 393 0.900 -38.748 8.826 -9.145 -99.200 -91.000 PHE 406 1.000 -24.822 20.153 8.605 -99.200 -91.000 PHE 410 1.000 -30.981 19.559 7.532 -99.200 -91.000 TYR 434 0.840 -21.387 20.631 -22.081 -99.200 -91.000 PHE 442 1.000 -14.506 22.010 -29.792 -99.200 -91.000 TRP 443 1.040 -18.180 18.785 -28.040 -99.200 -91.000 TRP6 443 1.020 -17.973 20.773 -26.740 -99.200 -91.000 PHE 459 1.000 -23.360 14.023 -0.081 -99.200 -91.000 TYR 470 0.840 -40.250 17.588 16.164 -99.200 -91.000 TYR 472 0.840 -40.662 21.234 4.858 -99.200 -91.000 TRP 475 1.040 -38.407 26.020 6.471 -99.200 -91.000 TRP6 475 1.020 -36.704 27.646 6.628 -99.200 -91.000 TRP 485 1.040 -39.935 42.882 11.218 -99.200 -91.000 TRP6 485 1.020 -40.499 42.386 13.442 -99.200 -91.000 HIS 488 0.900 -47.294 43.391 5.455 -99.200 -91.000