============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 12.157 24.263 38.915 -99.200 -91.000 TYR 7 0.840 22.608 35.689 40.193 -99.200 -91.000 PHE 8 1.000 19.523 37.251 32.292 -99.200 -91.000 PHE 9 1.000 26.112 39.784 36.881 -99.200 -91.000 PHE 22 1.000 27.503 45.849 37.473 -99.200 -91.000 TYR 27 0.840 14.897 37.834 35.353 -99.200 -91.000 PHE 33 1.000 17.198 35.496 42.745 -99.200 -91.000 PHE 36 1.000 24.945 47.548 42.575 -99.200 -91.000 TRP 51 1.040 10.501 34.001 45.892 -99.200 -91.000 TRP6 51 1.020 12.778 33.630 45.373 -99.200 -91.000 TYR 59 0.840 20.858 36.197 49.460 -99.200 -91.000 TRP 60 1.040 19.088 40.727 51.809 -99.200 -91.000 TRP6 60 1.020 18.613 40.611 49.501 -99.200 -91.000 HIS 70 0.900 30.004 39.552 40.012 -99.200 -91.000 HIS 74 0.900 30.912 43.082 34.332 -99.200 -91.000 TYR 84 0.840 41.938 43.338 25.048 -99.200 -91.000 TYR 85 0.840 37.014 44.766 19.936 -99.200 -91.000 HIS 93 0.900 32.299 51.715 22.464 -99.200 -91.000 TYR 99 0.840 27.504 34.618 36.886 -99.200 -91.000 TRP 107 1.040 14.554 20.312 42.554 -99.200 -91.000 TRP6 107 1.020 14.162 21.481 44.565 -99.200 -91.000 PHE 109 1.000 25.901 21.263 36.349 -99.200 -91.000 TYR 113 0.840 22.951 28.712 31.715 -99.200 -91.000 HIS 114 0.900 31.120 33.708 32.422 -99.200 -91.000 TYR 116 0.840 32.496 40.080 28.926 -99.200 -91.000 TYR 118 0.840 33.092 46.345 23.494 -99.200 -91.000 TYR 123 0.840 35.573 39.918 23.997 -99.200 -91.000 TRP 133 1.040 37.468 30.010 28.582 -99.200 -91.000 TRP6 133 1.020 35.649 31.058 29.655 -99.200 -91.000 HIS 145 0.900 45.395 32.980 22.808 -99.200 -91.000 TRP 147 1.040 39.257 35.482 31.434 -99.200 -91.000 TRP6 147 1.020 36.994 35.818 30.857 -99.200 -91.000 HIS 151 0.900 45.149 27.013 35.372 -99.200 -91.000 TYR 159 0.840 28.365 30.682 40.624 -99.200 -91.000 TRP 167 1.040 23.530 29.491 48.264 -99.200 -91.000 TRP6 167 1.020 22.265 30.564 49.939 -99.200 -91.000 TYR 171 0.840 18.420 31.842 45.806 -99.200 -91.000 HIS 188 0.900 -10.133 37.029 26.082 -99.200 -91.000 HIS 191 0.900 -15.832 38.682 14.407 -99.200 -91.000 HIS 192 0.900 -12.123 43.574 18.313 -99.200 -91.000 HIS 197 0.900 -13.525 42.882 2.030 -99.200 -91.000 TRP 204 1.040 -6.876 38.750 23.540 -99.200 -91.000 TRP6 204 1.020 -5.356 40.366 24.331 -99.200 -91.000 PHE 208 1.000 1.172 33.035 29.223 -99.200 -91.000 TYR 209 0.840 6.260 31.502 36.695 -99.200 -91.000 TRP 217 1.040 -5.192 32.499 15.325 -99.200 -91.000 TRP6 217 1.020 -7.478 32.060 15.694 -99.200 -91.000 PHE 241 1.000 6.304 35.992 32.166 -99.200 -91.000 TRP 244 1.040 -2.251 40.282 21.316 -99.200 -91.000 TRP6 244 1.020 -1.996 40.616 18.993 -99.200 -91.000 TYR 257 0.840 -9.319 31.276 9.637 -99.200 -91.000 HIS 260 0.900 -3.059 22.944 19.787 -99.200 -91.000 HIS 263 0.900 1.538 27.657 30.676 -99.200 -91.000 TRP 274 1.040 -16.692 33.914 16.584 -99.200 -91.000 TRP6 274 1.020 -16.248 35.408 18.355 -99.200 -91.000