============================================================================= 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 52.989 -4.450 53.501 -99.200 -91.000 TRP6 26 1.020 52.874 -2.669 55.048 -99.200 -91.000 TYR 29 0.840 51.726 -6.687 46.731 -99.200 -91.000 PHE 38 1.000 46.829 -9.094 28.900 -99.200 -91.000 HIS 47 0.900 43.243 6.145 27.334 -99.200 -91.000 PHE 58 1.000 57.701 -10.546 24.989 -99.200 -91.000 HIS 90 0.900 53.231 17.070 42.658 -99.200 -91.000 HIS 93 0.900 50.367 21.682 47.995 -99.200 -91.000 HIS 96 0.900 43.291 24.968 49.583 -99.200 -91.000 HIS 99 0.900 41.940 30.566 43.945 -99.200 -91.000 TYR 112 0.840 45.143 30.519 56.262 -99.200 -91.000 HIS 121 0.900 59.385 42.944 49.342 -99.200 -91.000 PHE 151 1.000 47.304 26.831 38.602 -99.200 -91.000 HIS 152 0.900 44.828 32.241 32.685 -99.200 -91.000 TRP 160 1.040 56.020 29.823 40.528 -99.200 -91.000 TRP6 160 1.020 54.612 31.720 40.496 -99.200 -91.000 HIS 176 0.900 64.368 19.087 21.587 -99.200 -91.000 HIS 185 0.900 47.010 24.924 26.743 -99.200 -91.000 HIS 192 0.900 41.925 17.344 22.061 -99.200 -91.000 TYR 221 0.840 60.893 27.014 42.032 -99.200 -91.000 PHE 231 1.000 50.758 28.313 55.643 -99.200 -91.000 HIS 256 0.900 47.718 10.638 55.613 -99.200 -91.000 HIS 258 0.900 50.161 15.157 49.649 -99.200 -91.000 HIS 301 0.900 55.251 25.681 62.038 -99.200 -91.000 HIS 308 0.900 57.262 9.566 56.927 -99.200 -91.000 TYR 328 0.840 44.332 18.924 48.603 -99.200 -91.000 HIS 360 0.900 33.921 17.289 54.223 -99.200 -91.000 PHE 363 1.000 41.106 24.809 57.488 -99.200 -91.000 PHE 383 1.000 43.260 11.744 76.351 -99.200 -91.000 PHE 404 1.000 69.736 20.793 56.979 -99.200 -91.000 PHE 440 1.000 68.145 8.007 47.789 -99.200 -91.000 PHE 454 1.000 62.678 6.052 49.214 -99.200 -91.000 HIS 481 0.900 64.455 2.215 58.140 -99.200 -91.000 PHE 483 1.000 69.991 5.999 56.003 -99.200 -91.000 HIS 519 0.900 62.657 16.222 55.271 -99.200 -91.000 HIS 558 0.900 49.364 10.303 43.849 -99.200 -91.000 TRP 567 1.040 58.848 17.752 38.083 -99.200 -91.000 TRP6 567 1.020 60.728 18.139 39.472 -99.200 -91.000 HIS 576 0.900 66.441 3.731 41.061 -99.200 -91.000 TYR 604 0.840 70.572 8.805 31.853 -99.200 -91.000 PHE 605 1.000 61.567 8.469 33.957 -99.200 -91.000 TRP 633 1.040 85.523 9.085 36.519 -99.200 -91.000 TRP6 633 1.020 85.210 6.755 36.349 -99.200 -91.000