============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. PHE 10 1.000 17.452 1.095 172.701 -99.200 -91.000 PHE 24 1.000 35.250 7.409 182.505 -99.200 -91.000 PHE 30 1.000 39.145 14.314 187.985 -99.200 -91.000 TRP 55 1.040 34.512 32.996 183.271 -99.200 -91.000 TRP6 55 1.020 34.410 31.585 181.385 -99.200 -91.000 TYR 60 0.840 29.762 25.674 183.366 -99.200 -91.000 PHE 62 1.000 25.648 21.141 185.454 -99.200 -91.000 TYR 86 0.840 36.984 28.819 189.970 -99.200 -91.000 PHE 89 1.000 45.229 25.980 188.978 -99.200 -91.000 TYR 96 0.840 53.630 32.410 189.699 -99.200 -91.000 PHE 101 1.000 39.929 34.388 187.045 -99.200 -91.000 PHE 108 1.000 49.267 37.291 184.563 -99.200 -91.000 TRP 115 1.040 53.097 39.926 186.567 -99.200 -91.000 TRP6 115 1.020 53.926 38.005 187.696 -99.200 -91.000 TYR 131 0.840 48.153 43.021 185.983 -99.200 -91.000 TYR 148 0.840 48.612 39.722 170.844 -99.200 -91.000 HIS 150 0.900 46.596 30.354 169.290 -99.200 -91.000 HIS 152 0.900 42.693 30.376 166.437 -99.200 -91.000 HIS 155 0.900 44.636 31.546 172.830 -99.200 -91.000 PHE 156 1.000 42.747 38.474 168.330 -99.200 -91.000 PHE 181 1.000 48.289 38.534 166.412 -99.200 -91.000 TYR 202 0.840 22.123 24.941 165.600 -99.200 -91.000 TYR 204 0.840 32.267 28.483 170.855 -99.200 -91.000 PHE 252 1.000 59.806 34.350 177.514 -99.200 -91.000 PHE 254 1.000 59.187 33.953 171.863 -99.200 -91.000 TRP 269 1.040 63.456 25.188 175.792 -99.200 -91.000 TRP6 269 1.020 62.828 23.464 177.290 -99.200 -91.000 HIS 287 0.900 42.158 22.874 168.710 -99.200 -91.000 TYR 290 0.840 34.449 21.427 158.974 -99.200 -91.000 TRP 303 1.040 48.079 20.161 165.336 -99.200 -91.000 TRP6 303 1.020 45.920 21.142 165.102 -99.200 -91.000 TYR 306 0.840 55.790 23.491 161.980 -99.200 -91.000 HIS 312 0.900 62.462 13.797 167.418 -99.200 -91.000 PHE 314 1.000 61.902 23.661 171.800 -99.200 -91.000 PHE 322 1.000 53.508 26.500 180.603 -99.200 -91.000 HIS 325 0.900 42.113 27.053 174.944 -99.200 -91.000 TRP 327 1.040 45.006 18.802 182.879 -99.200 -91.000 TRP6 327 1.020 42.789 18.906 182.044 -99.200 -91.000 TRP 330 1.040 54.284 19.999 186.791 -99.200 -91.000 TRP6 330 1.020 51.924 20.216 186.795 -99.200 -91.000 TYR 346 0.840 46.272 16.802 166.384 -99.200 -91.000 TYR 348 0.840 45.460 5.572 163.184 -99.200 -91.000 HIS 350 0.900 47.959 13.404 156.316 -99.200 -91.000 HIS 355 0.900 45.808 1.928 154.444 -99.200 -91.000 HIS 367 0.900 31.190 9.563 159.009 -99.200 -91.000 TRP 380 1.040 41.401 9.863 180.855 -99.200 -91.000 TRP6 380 1.020 39.122 9.426 180.403 -99.200 -91.000 TYR 381 0.840 47.597 12.586 176.391 -99.200 -91.000 TYR 385 0.840 37.227 14.908 176.476 -99.200 -91.000 HIS 386 0.900 37.839 22.684 170.536 -99.200 -91.000 HIS 391 0.900 34.696 17.553 164.142 -99.200 -91.000 TYR 400 0.840 45.532 15.506 151.864 -99.200 -91.000 TYR 403 0.840 31.593 19.731 146.756 -99.200 -91.000 TYR 404 0.840 31.146 13.898 142.941 -99.200 -91.000 TYR 423 0.8