============================================================================= 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 30.807 -17.402 13.230 -99.200 -91.000 TYR 31 0.840 13.149 -19.222 10.980 -99.200 -91.000 TYR 36 0.840 16.017 -21.909 16.548 -99.200 -91.000 TYR 37 0.840 17.950 -19.367 24.057 -99.200 -91.000 PHE 38 1.000 22.552 -18.217 17.524 -99.200 -91.000 TRP 40 1.040 29.881 -14.688 19.757 -99.200 -91.000 TRP6 40 1.020 27.543 -14.446 19.486 -99.200 -91.000 TYR 42 0.840 36.659 -14.852 29.324 -99.200 -91.000 PHE 57 1.000 24.479 -10.390 29.000 -99.200 -91.000 PHE 66 1.000 10.912 -6.855 30.948 -99.200 -91.000 TYR 89 0.840 -4.101 7.415 38.723 -99.200 -91.000 TRP 90 1.040 2.941 12.629 44.056 -99.200 -91.000 TRP6 90 1.020 4.930 13.071 42.851 -99.200 -91.000 TRP 98 1.040 3.204 18.854 37.581 -99.200 -91.000 TRP6 98 1.020 3.987 16.956 36.404 -99.200 -91.000 HIS 105 0.900 -0.481 14.706 28.054 -99.200 -91.000 TYR 109 0.840 9.443 8.133 26.206 -99.200 -91.000 PHE 131 1.000 12.730 16.951 38.272 -99.200 -91.000 TYR 132 0.840 8.673 14.169 38.577 -99.200 -91.000 TRP 135 1.040 9.491 19.936 34.013 -99.200 -91.000 TRP6 135 1.020 7.306 19.517 33.202 -99.200 -91.000 TRP 139 1.040 8.723 22.412 23.474 -99.200 -91.000 TRP6 139 1.020 10.209 20.698 24.138 -99.200 -91.000 TYR 147 0.840 14.239 7.303 25.774 -99.200 -91.000 PHE 155 1.000 2.420 4.631 32.591 -99.200 -91.000 PHE 167 1.000 8.156 -0.356 38.209 -99.200 -91.000 PHE 176 1.000 10.363 -8.845 36.089 -99.200 -91.000 HIS 183 0.900 17.044 -18.283 36.523 -99.200 -91.000 TRP 185 1.040 15.979 -11.912 40.252 -99.200 -91.000 TRP6 185 1.020 14.554 -11.988 42.137 -99.200 -91.000 TYR 196 0.840 24.238 -7.532 38.050 -99.200 -91.000 TRP 198 1.040 31.562 -7.791 37.891 -99.200 -91.000 TRP6 198 1.020 31.175 -5.964 39.345 -99.200 -91.000 TYR 200 0.840 34.073 -5.944 32.150 -99.200 -91.000 HIS 207 0.900 27.316 -5.420 38.735 -99.200 -91.000 TYR 218 0.840 18.182 4.215 35.248 -99.200 -91.000 TRP 230 1.040 10.092 -8.383 27.303 -99.200 -91.000 TRP6 230 1.020 8.023 -8.060 28.417 -99.200 -91.000 TYR 256 0.840 -1.056 4.408 23.430 -99.200 -91.000 TRP 257 1.040 1.646 10.522 21.852 -99.200 -91.000 TRP6 257 1.020 0.395 12.526 21.836 -99.200 -91.000 TYR 263 0.840 2.903 4.807 13.214 -99.200 -91.000 TRP 268 1.040 7.073 -3.376 23.559 -99.200 -91.000 TRP6 268 1.020 9.195 -4.368 23.197 -99.200 -91.000 TRP 273 1.040 7.915 -6.589 7.562 -99.200 -91.000 TRP6 273 1.020 10.250 -6.407 7.897 -99.200 -91.000 TRP 309 1.040 12.192 -2.948 13.632 -99.200 -91.000 TRP6 309 1.020 13.587 -4.608 12.662 -99.200 -91.000 HIS 311 0.900 13.113 0.062 17.007 -99.200 -91.000 PHE 319 1.000 25.820 -5.019 31.887 -99.200 -91.000 TYR 322 0.840 17.481 -3.136 18.293 -99.200 -91.000 PHE 325 1.000 8.178 -7.549 19.461 -99.200 -91.000 TYR 341 0.840 26.925 -2.831 20.747 -99.200 -91.000 TRP 351 1.040 16.469 -4.202 8.352 -99.200 -91.000 TRP6 351 1.020 17.386 -4.299 6.181 -99.200 -91.000