============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 1 0.900 -11.272 -38.730 59.017 -99.200 -91.000 TYR 37 0.840 -18.842 -38.373 46.501 -99.200 -91.000 HIS 48 0.900 -4.623 -49.514 47.026 -99.200 -91.000 HIS 51 0.900 -1.524 -55.871 43.557 -99.200 -91.000 TYR 65 0.840 -18.777 -55.873 39.700 -99.200 -91.000 TYR 71 0.840 -16.257 -45.467 30.295 -99.200 -91.000 PHE 85 1.000 -7.661 -39.107 38.231 -99.200 -91.000 PHE 89 1.000 -4.512 -47.631 32.896 -99.200 -91.000 PHE 106 1.000 -17.186 -65.049 23.641 -99.200 -91.000 PHE 108 1.000 -21.496 -57.064 27.057 -99.200 -91.000 HIS 109 0.900 -18.635 -60.883 33.017 -99.200 -91.000 TRP 112 1.040 -19.448 -52.509 26.087 -99.200 -91.000 TRP6 112 1.020 -20.965 -51.604 27.650 -99.200 -91.000 PHE 178 1.000 -0.318 -58.135 6.904 -99.200 -91.000 PHE 182 1.000 -8.489 -50.539 2.863 -99.200 -91.000 PHE 221 1.000 -4.769 -54.422 -0.042 -99.200 -91.000 PHE 222 1.000 -10.859 -48.748 -1.261 -99.200 -91.000 TYR 227 0.840 -10.478 -54.459 -1.107 -99.200 -91.000 TRP 234 1.040 -20.686 -47.588 -0.388 -99.200 -91.000 TRP6 234 1.020 -18.559 -46.633 0.039 -99.200 -91.000 PHE 235 1.000 -21.169 -42.837 -4.137 -99.200 -91.000 TRP 244 1.040 -32.762 -38.511 0.221 -99.200 -91.000 TRP6 244 1.020 -30.562 -39.009 -0.469 -99.200 -91.000 HIS 253 0.900 -22.896 -34.208 2.781 -99.200 -91.000 PHE 280 1.000 -14.886 -44.564 -19.088 -99.200 -91.000 TYR 322 0.840 -19.693 -40.619 -18.904 -99.200 -91.000 PHE 323 1.000 -19.348 -33.088 -16.448 -99.200 -91.000 PHE 351 1.000 -20.235 -17.951 -2.608 -99.200 -91.000 TYR 359 0.840 -12.895 -28.288 -7.695 -99.200 -91.000 PHE 361 1.000 -16.098 -24.069 -18.112 -99.200 -91.000 PHE 364 1.000 -14.647 -30.024 -20.485 -99.200 -91.000 TYR 366 0.840 -4.932 -29.401 -13.849 -99.200 -91.000 PHE 402 1.000 -18.371 -8.170 -21.647 -99.200 -91.000 TRP 410 1.040 -13.694 -13.582 -8.711 -99.200 -91.000 TRP6 410 1.020 -13.434 -15.919 -8.521 -99.200 -91.000 HIS 418 0.900 -9.074 -22.393 -13.981 -99.200 -91.000 TRP 473 1.040 -5.755 -13.074 -23.745 -99.200 -91.000 TRP6 473 1.020 -7.876 -12.059 -23.955 -99.200 -91.000 HIS 483 0.900 -3.096 -8.318 -31.330 -99.200 -91.000 PHE 484 1.000 -3.153 -4.400 -21.632 -99.200 -91.000 HIS 486 0.900 -2.627 -1.163 -32.148 -99.200 -91.000 PHE 493 1.000 -7.115 1.693 -15.463 -99.200 -91.000 TYR 522 0.840 10.187 -12.499 -17.394 -99.200 -91.000 PHE 523 1.000 5.831 -13.926 -19.657 -99.200 -91.000 TYR 531 0.840 3.320 2.878 -24.298 -99.200 -91.000 PHE 549 1.000 5.814 -2.387 -11.382 -99.200 -91.000 PHE 555 1.000 0.421 -2.667 -1.716 -99.200 -91.000 HIS 559 0.900 -6.719 -9.679 -0.056 -99.200 -91.000 TYR 562 0.840 -0.842 -15.449 -2.855 -99.200 -91.000 PHE 573 1.000 -13.663 -18.446 -3.519 -99.200 -91.000 TYR 578 0.840 -14.493 -14.270 3.860 -99.200 -91.000 PHE 581 1.000 -5.805 -13.316 -3.848 -99.200 -91.000 HIS 583 0.900 -4.491 -23.950 -6.147 -99.200 -91.000 PHE 585 1.000 -3.630 -13.899 -10.366 -99.200 -91.000 TYR 601 0.840 14.396 -3.173 -8.014 -99.200 -91.000