============================================================================= 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. TRP 26 1.040 53.101 -4.428 53.470 -99.200 -91.000 TRP6 26 1.020 53.042 -2.632 55.004 -99.200 -91.000 TYR 29 0.840 51.828 -6.627 46.676 -99.200 -91.000 PHE 38 1.000 46.945 -9.108 28.886 -99.200 -91.000 HIS 47 0.900 43.378 6.155 27.308 -99.200 -91.000 PHE 58 1.000 57.824 -10.542 25.003 -99.200 -91.000 HIS 90 0.900 53.217 17.355 42.673 -99.200 -91.000 HIS 93 0.900 50.496 21.606 47.915 -99.200 -91.000 HIS 96 0.900 43.325 25.084 49.716 -99.200 -91.000 HIS 99 0.900 42.052 30.544 44.012 -99.200 -91.000 TYR 112 0.840 45.267 30.478 56.363 -99.200 -91.000 HIS 121 0.900 59.448 42.809 49.422 -99.200 -91.000 PHE 151 1.000 47.424 26.845 38.604 -99.200 -91.000 HIS 152 0.900 44.924 32.117 32.647 -99.200 -91.000 TRP 160 1.040 56.090 29.808 40.506 -99.200 -91.000 TRP6 160 1.020 54.650 31.680 40.423 -99.200 -91.000 HIS 176 0.900 64.460 19.078 21.631 -99.200 -91.000 HIS 185 0.900 46.867 24.918 26.711 -99.200 -91.000 HIS 192 0.900 41.990 17.364 22.120 -99.200 -91.000 TYR 221 0.840 60.982 26.972 42.000 -99.200 -91.000 PHE 231 1.000 50.912 28.246 55.639 -99.200 -91.000 HIS 256 0.900 47.850 10.623 55.592 -99.200 -91.000 HIS 258 0.900 50.382 15.114 49.645 -99.200 -91.000 HIS 301 0.900 55.388 25.621 62.023 -99.200 -91.000 HIS 308 0.900 57.377 9.560 56.861 -99.200 -91.000 TYR 328 0.840 44.482 18.840 48.604 -99.200 -91.000 HIS 360 0.900 34.076 17.276 54.219 -99.200 -91.000 PHE 363 1.000 41.203 24.796 57.468 -99.200 -91.000 PHE 383 1.000 43.518 11.633 76.313 -99.200 -91.000 PHE 404 1.000 69.807 20.772 56.933 -99.200 -91.000 PHE 440 1.000 68.277 8.029 47.717 -99.200 -91.000 PHE 454 1.000 62.764 6.042 49.183 -99.200 -91.000 HIS 481 0.900 64.595 2.231 58.049 -99.200 -91.000 PHE 483 1.000 70.119 6.002 55.922 -99.200 -91.000 HIS 519 0.900 62.717 16.178 55.229 -99.200 -91.000 HIS 558 0.900 49.494 10.347 43.826 -99.200 -91.000 TRP 567 1.040 58.900 17.747 38.083 -99.200 -91.000 TRP6 567 1.020 60.788 18.144 39.468 -99.200 -91.000 HIS 576 0.900 66.512 3.739 41.053 -99.200 -91.000 TYR 604 0.840 70.646 8.860 31.820 -99.200 -91.000 PHE 605 1.000 61.643 8.485 33.929 -99.200 -91.000 TRP 633 1.040 85.637 9.164 36.491 -99.200 -91.000 TRP6 633 1.020 85.300 6.842 36.289 -99.200 -91.000