============================================================================= 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 17.225 1.106 172.919 -99.200 -91.000 PHE 24 1.000 34.991 7.340 182.579 -99.200 -91.000 PHE 30 1.000 38.922 14.544 188.162 -99.200 -91.000 TRP 55 1.040 34.440 33.072 183.380 -99.200 -91.000 TRP6 55 1.020 34.410 31.614 181.496 -99.200 -91.000 TYR 60 0.840 29.469 25.854 183.358 -99.200 -91.000 PHE 62 1.000 25.206 21.217 185.559 -99.200 -91.000 TYR 86 0.840 36.826 28.792 189.925 -99.200 -91.000 PHE 89 1.000 45.082 26.105 189.082 -99.200 -91.000 TYR 96 0.840 53.605 32.617 189.881 -99.200 -91.000 PHE 101 1.000 39.784 34.500 186.993 -99.200 -91.000 PHE 108 1.000 49.324 37.518 184.645 -99.200 -91.000 TRP 115 1.040 53.077 40.131 186.640 -99.200 -91.000 TRP6 115 1.020 53.924 38.216 187.716 -99.200 -91.000 TYR 131 0.840 47.900 43.287 186.087 -99.200 -91.000 TYR 148 0.840 48.519 39.866 170.931 -99.200 -91.000 HIS 150 0.900 46.382 30.277 169.095 -99.200 -91.000 HIS 152 0.900 42.059 30.930 166.216 -99.200 -91.000 HIS 155 0.900 44.719 31.693 172.494 -99.200 -91.000 PHE 156 1.000 42.823 38.698 168.349 -99.200 -91.000 PHE 181 1.000 48.225 38.813 166.369 -99.200 -91.000 TYR 196 0.840 21.780 24.793 165.532 -99.200 -91.000 TYR 198 0.840 31.820 28.531 170.631 -99.200 -91.000 PHE 245 1.000 59.733 34.406 177.510 -99.200 -91.000 PHE 247 1.000 59.243 34.115 171.723 -99.200 -91.000 TRP 261 1.040 63.279 25.435 175.661 -99.200 -91.000 TRP6 261 1.020 62.867 23.624 177.181 -99.200 -91.000 HIS 278 0.900 41.829 22.860 168.636 -99.200 -91.000 TYR 281 0.840 34.264 21.397 158.944 -99.200 -91.000 TRP 294 1.040 48.021 19.993 165.196 -99.200 -91.000 TRP6 294 1.020 45.844 21.002 165.082 -99.200 -91.000 TYR 297 0.840 54.340 23.983 165.336 -99.200 -91.000 HIS 303 0.900 62.624 13.722 167.576 -99.200 -91.000 PHE 305 1.000 61.869 23.892 171.734 -99.200 -91.000 PHE 312 1.000 53.640 26.671 180.661 -99.200 -91.000 HIS 315 0.900 42.117 27.065 174.938 -99.200 -91.000 TRP 317 1.040 44.928 18.965 182.984 -99.200 -91.000 TRP6 317 1.020 42.655 19.067 182.311 -99.200 -91.000 TRP 320 1.040 54.254 19.972 187.003 -99.200 -91.000 TRP6 320 1.020 51.924 20.431 187.040 -99.200 -91.000 TYR 336 0.840 46.126 16.614 166.272 -99.200 -91.000 TYR 338 0.840 45.465 5.225 163.296 -99.200 -91.000 HIS 340 0.900 47.727 13.156 156.321 -99.200 -91.000 HIS 345 0.900 45.984 1.765 154.481 -99.200 -91.000 HIS 357 0.900 30.834 9.291 159.084 -99.200 -91.000 TRP 370 1.040 41.142 9.899 180.890 -99.200 -91.000 TRP6 370 1.020 38.877 9.429 180.436 -99.200 -91.000 TYR 371 0.840 47.291 12.587 176.516 -99.200 -91.000 TYR 375 0.840 36.920 15.024 176.519 -99.200 -91.000 HIS 376 0.900 37.664 22.674 170.320 -99.200 -91.000 HIS 381 0.900 34.403 17.491 164.081 -99.200 -91.000 TYR 390 0.840 45.274 15.127 151.746 -99.200 -91.000 TYR 393 0.840 31.307 19.411 146.895 -99.200 -91.000 TYR 394 0.840 30.954 13.582 142.890 -99.200 -91.000 TYR 413 0.8