============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 32 0.900 -27.951 -12.631 46.968 -99.200 -91.000 HIS 41 0.900 -25.975 -13.588 39.208 -99.200 -91.000 TYR 60 0.840 -20.152 -14.100 45.785 -99.200 -91.000 HIS 79 0.900 -20.358 -22.981 35.265 -99.200 -91.000 TYR 82 0.840 -14.534 -15.314 35.251 -99.200 -91.000 PHE 84 1.000 -15.451 -15.074 43.715 -99.200 -91.000 PHE 91 1.000 -17.507 -25.507 45.516 -99.200 -91.000 PHE 100 1.000 -26.028 -30.818 46.082 -99.200 -91.000 PHE 102 1.000 -16.383 -28.417 40.481 -99.200 -91.000 TYR 154 0.840 22.241 -18.977 35.011 -99.200 -91.000 PHE 191 1.000 1.781 -17.790 46.277 -99.200 -91.000 TYR 197 0.840 8.086 -24.636 38.202 -99.200 -91.000 TYR 201 0.840 12.658 -13.995 31.872 -99.200 -91.000 HIS 207 0.900 -1.398 -16.208 28.064 -99.200 -91.000 TYR 222 0.840 -7.478 -28.731 17.594 -99.200 -91.000 HIS 234 0.900 3.357 -10.635 35.977 -99.200 -91.000 TYR 253 0.840 3.399 -29.556 17.067 -99.200 -91.000 TYR 267 0.840 -10.015 -30.512 31.762 -99.200 -91.000 PHE 273 1.000 -4.259 -28.461 27.798 -99.200 -91.000 PHE 275 1.000 0.618 -24.695 24.968 -99.200 -91.000 PHE 277 1.000 4.059 -18.828 18.547 -99.200 -91.000 PHE 282 1.000 1.871 -22.809 19.942 -99.200 -91.000 TYR 283 0.840 9.403 -22.913 24.229 -99.200 -91.000 PHE 284 1.000 1.230 -26.819 30.749 -99.200 -91.000 HIS 295 0.900 -16.748 -17.594 28.289 -99.200 -91.000 HIS 327 0.900 -14.893 -26.421 9.729 -99.200 -91.000 HIS 331 0.900 -8.482 -11.867 14.764 -99.200 -91.000 PHE 345 1.000 -3.342 1.015 35.078 -99.200 -91.000 PHE 355 1.000 -24.360 0.198 30.370 -99.200 -91.000 HIS 356 0.900 -26.681 3.784 24.480 -99.200 -91.000 PHE 361 1.000 -22.967 -8.740 10.754 -99.200 -91.000 TRP 365 1.040 -22.402 -4.426 27.712 -99.200 -91.000 TRP6 365 1.020 -20.284 -3.610 28.362 -99.200 -91.000 HIS 368 0.900 -21.668 -7.069 36.810 -99.200 -91.000 TYR 370 0.840 -28.801 -2.548 37.435 -99.200 -91.000 TYR 373 0.840 -24.104 -3.063 39.899 -99.200 -91.000 TYR 378 0.840 -17.972 -4.959 50.406 -99.200 -91.000 TYR 379 0.840 -17.654 -9.114 46.178 -99.200 -91.000 TYR 389 0.840 -16.956 -12.951 13.633 -99.200 -91.000 PHE 428 1.000 -4.795 -4.653 19.357 -99.200 -91.000 HIS 430 0.900 3.011 -6.075 12.178 -99.200 -91.000 HIS 436 0.900 8.228 -8.968 28.762 -99.200 -91.000 TYR 437 0.840 3.315 -2.300 22.405 -99.200 -91.000