============================================================================= 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. HIS 3 0.900 -46.012 -73.905 -25.941 -99.200 -91.000 HIS 13 0.900 -43.736 -57.983 -14.332 -99.200 -91.000 HIS 21 0.900 -33.185 -59.347 -8.844 -99.200 -91.000 HIS 32 0.900 -28.654 -50.607 -2.404 -99.200 -91.000 TYR 44 0.840 -33.081 -46.288 -12.393 -99.200 -91.000 PHE 52 1.000 -31.610 -45.696 -18.317 -99.200 -91.000 HIS 61 0.900 -21.065 -65.028 -21.356 -99.200 -91.000 PHE 66 1.000 -10.064 -70.460 -20.916 -99.200 -91.000 TYR 82 0.840 -33.580 -43.180 -25.530 -99.200 -91.000 PHE 93 1.000 -20.003 -45.705 -20.805 -99.200 -91.000 PHE 100 1.000 -19.209 -62.664 -15.888 -99.200 -91.000 TYR 108 0.840 -18.867 -53.882 -19.685 -99.200 -91.000 TYR 147 0.840 -10.761 -52.658 -22.755 -99.200 -91.000 PHE 151 1.000 -9.597 -47.706 -25.539 -99.200 -91.000 HIS 175 0.900 -12.232 -49.975 -17.597 -99.200 -91.000 TYR 177 0.840 -4.622 -45.761 -22.165 -99.200 -91.000 PHE 184 1.000 -15.241 -30.558 -19.103 -99.200 -91.000 PHE 195 1.000 -5.707 -49.489 -10.156 -99.200 -91.000 HIS 219 0.900 -4.057 -35.356 -3.059 -99.200 -91.000 HIS 221 0.900 -5.220 -40.833 -11.780 -99.200 -91.000 HIS 229 0.900 -11.042 -32.614 -16.652 -99.200 -91.000 TYR 230 0.840 -16.286 -31.800 -7.937 -99.200 -91.000 PHE 239 1.000 -24.657 -39.744 -9.342 -99.200 -91.000 TYR 241 0.840 -17.596 -30.330 -11.293 -99.200 -91.000 TYR 248 0.840 -21.695 -22.852 -16.010 -99.200 -91.000 TYR 260 0.840 -29.290 -19.811 -16.903 -99.200 -91.000 TYR 292 0.840 -4.363 -10.005 -7.100 -99.200 -91.000 HIS 295 0.900 -10.362 -19.073 -6.544 -99.200 -91.000 PHE 306 1.000 -14.363 -20.182 -11.461 -99.200 -91.000 TYR 313 0.840 -2.527 -30.722 -12.786 -99.200 -91.000 PHE 321 1.000 -16.925 -24.598 -18.517 -99.200 -91.000 HIS 338 0.900 1.265 -23.173 -6.122 -99.200 -91.000 PHE 339 1.000 4.682 -23.001 -8.105 -99.200 -91.000 PHE 354 1.000 -11.823 -23.770 -18.967 -99.200 -91.000 PHE 361 1.000 -17.977 -29.674 -26.678 -99.200 -91.000 PHE 374 1.000 6.118 -19.253 -19.710 -99.200 -91.000 TYR 382 0.840 17.353 -30.890 -16.654 -99.200 -91.000 TYR 394 0.840 -2.204 -25.919 -32.147 -99.200 -91.000 TYR 396 0.840 -6.079 -16.423 -26.361 -99.200 -91.000 TYR 412 0.840 6.820 -7.971 -15.381 -99.200 -91.000 TYR 416 0.840 1.662 -8.857 -24.077 -99.200 -91.000 TRP 432 1.040 -8.597 -4.208 -13.860 -99.200 -91.000 TRP6 432 1.020 -8.885 -5.474 -11.860 -99.200 -91.000 PHE 448 1.000 20.030 -8.445 -19.666 -99.200 -91.000 TYR 450 0.840 18.970 2.879 -17.506 -99.200 -91.000 TYR 465 0.840 12.810 -0.666 -17.740 -99.200 -91.000 TYR 473 0.840 -1.209 4.692 -18.584 -99.200 -91.000 TYR 480 0.840 1.450 -4.503 -28.956 -99.200 -91.000 HIS 489 0.900 -15.725 2.234 -15.070 -99.200 -91.000 TYR 493 0.840 -14.800 -0.805 -20.669 -99.200 -91.000 HIS 507 0.900 -4.600 -33.968 -37.968 -99.200 -91.000