============================================================================= 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 10 0.900 15.287 -13.354 33.641 -99.200 -91.000 TYR 31 0.840 29.973 -14.401 38.388 -99.200 -91.000 TYR 36 0.840 26.726 -18.035 33.337 -99.200 -91.000 TYR 37 0.840 24.955 -16.752 25.548 -99.200 -91.000 PHE 38 1.000 20.264 -14.216 31.759 -99.200 -91.000 TRP 40 1.040 13.634 -10.272 28.873 -99.200 -91.000 TRP6 40 1.020 15.972 -10.181 29.003 -99.200 -91.000 TYR 42 0.840 6.933 -11.800 20.003 -99.200 -91.000 PHE 57 1.000 19.071 -8.426 18.880 -99.200 -91.000 PHE 66 1.000 33.116 -6.892 16.126 -99.200 -91.000 TYR 89 0.840 49.032 4.101 5.330 -99.200 -91.000 TRP 90 1.040 42.543 8.709 -0.701 -99.200 -91.000 TRP6 90 1.020 40.506 9.278 0.304 -99.200 -91.000 TRP 98 1.040 42.656 16.149 4.367 -99.200 -91.000 TRP6 98 1.020 41.792 14.545 5.840 -99.200 -91.000 HIS 105 0.900 46.145 13.721 14.702 -99.200 -91.000 TYR 109 0.840 35.682 8.631 17.567 -99.200 -91.000 PHE 131 1.000 32.740 13.910 3.824 -99.200 -91.000 TYR 132 0.840 36.824 11.575 4.295 -99.200 -91.000 TRP 135 1.040 36.532 18.332 7.732 -99.200 -91.000 TRP6 135 1.020 38.709 17.856 8.456 -99.200 -91.000 TRP 139 1.040 37.826 22.834 17.063 -99.200 -91.000 TRP6 139 1.020 36.524 20.885 17.147 -99.200 -91.000 TYR 147 0.840 30.730 8.599 18.044 -99.200 -91.000 PHE 155 1.000 42.440 3.207 12.183 -99.200 -91.000 PHE 167 1.000 36.431 -2.434 7.579 -99.200 -91.000 PHE 176 1.000 33.421 -10.123 11.477 -99.200 -91.000 HIS 183 0.900 26.294 -18.627 13.468 -99.200 -91.000 TRP 185 1.040 26.264 -12.938 9.375 -99.200 -91.000 TRP6 185 1.020 27.382 -14.585 8.151 -99.200 -91.000 TYR 196 0.840 19.252 -7.897 9.471 -99.200 -91.000 TRP 198 1.040 11.999 -7.247 9.792 -99.200 -91.000 TRP6 198 1.020 12.613 -5.906 7.978 -99.200 -91.000 TYR 200 0.840 9.902 -3.920 14.979 -99.200 -91.000 HIS 207 0.900 16.444 -5.454 8.403 -99.200 -91.000 TYR 218 0.840 26.754 3.451 9.234 -99.200 -91.000 TRP 230 1.040 33.871 -7.645 19.971 -99.200 -91.000 TRP6 230 1.020 35.874 -7.788 18.777 -99.200 -91.000 TYR 256 0.840 45.917 4.702 21.157 -99.200 -91.000 TRP 257 1.040 43.778 11.138 21.443 -99.200 -91.000 TRP6 257 1.020 45.178 12.969 21.016 -99.200 -91.000 TYR 263 0.840 42.087 7.587 30.990 -99.200 -91.000 TRP 268 1.040 37.188 -2.309 22.600 -99.200 -91.000 TRP6 268 1.020 35.010 -2.992 23.168 -99.200 -91.000 TRP 273 1.040 36.460 -1.746 38.900 -99.200 -91.000 TRP6 273 1.020 34.111 -1.558 38.580 -99.200 -91.000 TRP 309 1.040 32.282 0.890 32.208 -99.200 -91.000 TRP6 309 1.020 30.754 -0.426 33.403 -99.200 -91.000 HIS 311 0.900 31.577 3.064 28.277 -99.200 -91.000 PHE 319 1.000 18.245 -3.813 14.876 -99.200 -91.000 TYR 322 0.840 26.995 0.185 27.601 -99.200 -91.000 PHE 325 1.000 35.936 -5.342 27.473 -99.200 -91.000 TYR 341 0.840 17.660 0.839 25.190 -99.200 -91.000 TRP 351 1.040 26.604 1.413 38.230 -99.200 -91.000 TRP6 351 1.020 28.859 1.163 38.447 -99.200 -91.000