============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 3 0.900 -46.212 -13.329 12.416 -99.200 -91.000 PHE 5 1.000 -44.674 -8.051 15.611 -99.200 -91.000 TYR 17 0.840 -25.359 -8.929 14.438 -99.200 -91.000 PHE 26 1.000 -17.868 2.535 23.252 -99.200 -91.000 TYR 44 0.840 -6.849 -13.755 10.059 -99.200 -91.000 TYR 65 0.840 -19.719 -41.130 21.973 -99.200 -91.000 HIS 70 0.900 -21.283 -39.225 26.162 -99.200 -91.000 TYR 77 0.840 -18.890 -36.349 15.857 -99.200 -91.000 TYR 84 0.840 -20.810 -28.833 8.060 -99.200 -91.000 PHE 87 1.000 -19.356 -21.703 6.643 -99.200 -91.000 TYR 98 0.840 -16.739 -4.246 7.127 -99.200 -91.000 TYR 106 0.840 -9.621 -7.913 8.669 -99.200 -91.000 TRP 117 1.040 -18.104 -23.287 2.418 -99.200 -91.000 TRP6 117 1.020 -18.931 -24.728 4.088 -99.200 -91.000 TYR 126 0.840 -30.535 -30.162 4.550 -99.200 -91.000 TRP 133 1.040 -34.258 -29.178 9.096 -99.200 -91.000 TRP6 133 1.020 -35.920 -29.184 10.766 -99.200 -91.000 TYR 134 0.840 -32.072 -30.958 14.645 -99.200 -91.000 TRP 138 1.040 -27.455 -24.382 15.725 -99.200 -91.000 TRP6 138 1.020 -27.286 -26.698 16.192 -99.200 -91.000 PHE 145 1.000 -27.136 -13.602 13.432 -99.200 -91.000 TRP 167 1.040 -25.426 -21.243 -0.874 -99.200 -91.000 TRP6 167 1.020 -24.029 -20.745 0.966 -99.200 -91.000 HIS 174 0.900 -34.055 -27.834 0.927 -99.200 -91.000 PHE 178 1.000 -37.256 -30.186 4.337 -99.200 -91.000 HIS 189 0.900 -32.928 -27.835 17.220 -99.200 -91.000 TYR 191 0.840 -38.343 -21.082 20.494 -99.200 -91.000 TRP 192 1.040 -31.054 -22.637 18.176 -99.200 -91.000 TRP6 192 1.020 -29.278 -21.096 18.389 -99.200 -91.000 PHE 210 1.000 -38.042 -8.485 9.134 -99.200 -91.000 TRP 212 1.040 -41.489 -19.447 8.735 -99.200 -91.000 TRP6 212 1.020 -39.729 -20.324 10.016 -99.200 -91.000 TYR 217 0.840 -39.784 -12.319 20.640 -99.200 -91.000 PHE 230 1.000 -38.491 -19.893 26.553 -99.200 -91.000 HIS 232 0.900 -42.724 -27.759 22.973 -99.200 -91.000 HIS 237 0.900 -36.018 -36.297 31.346 -99.200 -91.000 HIS 242 0.900 -26.935 -26.475 27.743 -99.200 -91.000 PHE 243 1.000 -31.368 -28.677 25.278 -99.200 -91.000 TYR 246 0.840 -28.638 -24.299 22.341 -99.200 -91.000 TYR 266 0.840 -35.446 -7.382 23.320 -99.200 -91.000 TYR 268 0.840 -46.432 -10.663 20.667 -99.200 -91.000 HIS 276 0.900 -37.930 -7.683 29.168 -99.200 -91.000 PHE 281 1.000 -37.738 -21.096 35.477 -99.200 -91.000 PHE 283 1.000 -30.321 -13.329 34.489 -99.200 -91.000 TYR 295 0.840 -41.500 -26.632 35.284 -99.200 -91.000 PHE 305 1.000 -26.963 -21.648 33.084 -99.200 -91.000 TRP 314 1.040 -28.834 -15.451 26.955 -99.200 -91.000 TRP6 314 1.020 -30.094 -14.360 28.627 -99.200 -91.000 TYR 317 0.840 -26.014 -9.428 20.949 -99.200 -91.000 PHE 322 1.000 -34.608 -4.861 27.427 -99.200 -91.000 PHE 324 1.000 -30.263 -7.771 32.114 -99.200 -91.000 PHE 330 1.000 -23.367 -17.027 35.717 -99.200 -91.000 PHE 336 1.000 -16.172 -15.624 18.508 -99.200 -91.000 TYR 349 0.840 -19.068 -4.079 28.973 -99.200 -91.000