============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 19.119 62.380 28.982 -99.200 -91.000 HIS 23 0.900 14.344 53.229 21.836 -99.200 -91.000 HIS 25 0.900 9.952 54.438 25.391 -99.200 -91.000 PHE 38 1.000 16.410 48.558 19.226 -99.200 -91.000 HIS 57 0.900 42.920 49.915 28.852 -99.200 -91.000 PHE 61 1.000 27.379 45.206 24.206 -99.200 -91.000 HIS 73 0.900 5.610 48.437 22.891 -99.200 -91.000 TYR 77 0.840 9.456 38.080 15.569 -99.200 -91.000 HIS 92 0.900 34.590 42.988 22.555 -99.200 -91.000 PHE 96 1.000 19.942 41.441 22.825 -99.200 -91.000 HIS 97 0.900 20.814 38.004 31.694 -99.200 -91.000 PHE 121 1.000 15.919 39.208 21.693 -99.200 -91.000 PHE 129 1.000 13.514 40.010 30.128 -99.200 -91.000 TYR 131 0.840 22.422 45.477 26.040 -99.200 -91.000 HIS 132 0.900 26.111 38.975 30.278 -99.200 -91.000 TRP 141 1.040 39.128 41.464 31.600 -99.200 -91.000 TRP6 141 1.020 40.053 41.422 29.434 -99.200 -91.000 HIS 142 0.900 35.264 40.618 26.633 -99.200 -91.000 HIS 160 0.900 -2.462 47.719 32.358 -99.200 -91.000 TYR 169 0.840 7.321 54.990 31.069 -99.200 -91.000 TYR 173 0.840 15.640 60.594 33.884 -99.200 -91.000 TYR 174 0.840 20.086 51.079 31.498 -99.200 -91.000 PHE 180 1.000 34.006 50.205 35.867 -99.200 -91.000 TYR 181 0.840 35.208 43.604 40.715 -99.200 -91.000 TYR 190 0.840 42.191 52.809 42.602 -99.200 -91.000 TYR 193 0.840 47.180 47.788 33.960 -99.200 -91.000 TYR 200 0.840 42.483 37.809 31.684 -99.200 -91.000 HIS 214 0.900 37.115 52.862 41.507 -99.200 -91.000 PHE 217 1.000 23.897 54.316 40.871 -99.200 -91.000 HIS 242 0.900 19.940 50.616 39.916 -99.200 -91.000 HIS 252 0.900 16.098 54.675 50.256 -99.200 -91.000 HIS 257 0.900 8.480 56.718 50.395 -99.200 -91.000 TYR 260 0.840 1.974 51.495 41.695 -99.200 -91.000 TRP 262 1.040 6.373 45.739 37.538 -99.200 -91.000 TRP6 262 1.020 6.003 48.061 37.213 -99.200 -91.000 PHE 267 1.000 7.772 45.767 32.794 -99.200 -91.000 TRP 278 1.040 14.039 49.420 43.806 -99.200 -91.000 TRP6 278 1.020 13.414 51.525 44.704 -99.200 -91.000 PHE 279 1.000 19.180 41.862 46.690 -99.200 -91.000 PHE 289 1.000 4.480 54.852 37.489 -99.200 -91.000 TYR 290 0.840 8.361 58.914 44.567 -99.200 -91.000 PHE 292 1.000 10.709 62.385 41.663 -99.200 -91.000 TYR 298 0.840 13.176 63.784 45.686 -99.200 -91.000 TYR 300 0.840 18.017 55.242 41.796 -99.200 -91.000 HIS 303 0.900 20.117 52.973 52.429 -99.200 -91.000 PHE 309 1.000 25.778 58.741 50.054 -99.200 -91.000 HIS 316 0.900 23.483 64.429 43.683 -99.200 -91.000 PHE 317 1.000 15.685 60.799 39.685 -99.200 -91.000 TRP 323 1.040 8.025 71.687 51.769 -99.200 -91.000 TRP6 323 1.020 9.692 70.020 51.516 -99.200 -91.000