============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. HIS 4 0.900 14.303 -21.581 -10.578 -99.200 -91.000 PHE 6 1.000 18.810 -19.345 -11.850 -99.200 -91.000 PHE 10 1.000 22.944 -13.685 -11.087 -99.200 -91.000 HIS 12 0.900 21.635 -5.338 -10.040 -99.200 -91.000 TRP 15 1.040 16.460 3.309 -7.240 -99.200 -91.000 TRP6 15 1.020 15.352 3.969 -9.228 -99.200 -91.000 HIS 25 0.900 28.268 -11.317 -7.054 -99.200 -91.000 PHE 37 1.000 20.905 -17.498 -1.784 -99.200 -91.000 TRP 51 1.040 19.527 -18.708 2.343 -99.200 -91.000 TRP6 51 1.020 17.338 -17.870 2.596 -99.200 -91.000 PHE 53 1.000 22.311 -23.248 -1.308 -99.200 -91.000 HIS 63 0.900 34.437 -18.010 -17.130 -99.200 -91.000 HIS 64 0.900 29.899 -18.790 -23.682 -99.200 -91.000 PHE 66 1.000 24.790 -10.717 -20.407 -99.200 -91.000 PHE 67 1.000 19.351 -15.966 -15.004 -99.200 -91.000 HIS 75 0.900 1.926 3.757 -25.013 -99.200 -91.000 HIS 77 0.900 -1.398 1.740 -28.630 -99.200 -91.000 TYR 81 0.840 3.071 -8.984 -33.166 -99.200 -91.000 PHE 83 1.000 -1.274 -1.494 -37.573 -99.200 -91.000 TRP 95 1.040 0.282 4.902 -38.098 -99.200 -91.000 TRP6 95 1.020 -0.097 4.380 -35.832 -99.200 -91.000 TYR 99 0.840 -1.418 2.936 -42.537 -99.200 -91.000 PHE 101 1.000 -8.668 6.140 -34.714 -99.200 -91.000 HIS 105 0.900 -15.038 -1.275 -36.396 -99.200 -91.000 PHE 107 1.000 -7.596 -6.725 -31.926 -99.200 -91.000 PHE 112 1.000 -7.938 -9.541 -36.344 -99.200 -91.000 TYR 117 0.840 -5.593 -8.405 -27.869 -99.200 -91.000 TYR 134 0.840 0.633 -6.337 -23.561 -99.200 -91.000 PHE 135 1.000 -3.019 3.173 -24.494 -99.200 -91.000 HIS 139 0.900 -13.770 -3.744 -29.914 -99.200 -91.000 PHE 153 1.000 0.847 -17.832 -24.222 -99.200 -91.000 PHE 158 1.000 0.154 -2.003 -14.321 -99.200 -91.000 PHE 170 1.000 -12.607 3.444 -39.082 -99.200 -91.000 TYR 173 0.840 -11.636 1.469 -32.328 -99.200 -91.000 PHE 187 1.000 -10.315 -4.325 -18.838 -99.200 -91.000 TYR 196 0.840 -6.467 -12.948 -15.118 -99.200 -91.000 PHE 207 1.000 -5.342 10.974 -29.139 -99.200 -91.000 HIS 229 0.900 -0.394 1.662 -11.459 -99.200 -91.000 HIS 233 0.900 -1.344 7.150 -26.741 -99.200 -91.000 TYR 248 0.840 -10.892 18.774 -24.526 -99.200 -91.000 TYR 251 0.840 -9.298 21.866 -19.764 -99.200 -91.000 TYR 254 0.840 -2.253 16.345 -25.124 -99.200 -91.000 TYR 258 0.840 -4.238 13.534 -20.975 -99.200 -91.000 HIS 272 0.900 4.198 8.428 -28.115 -99.200 -91.000 TYR 275 0.840 6.789 18.369 -30.377 -99.200 -91.000 PHE 284 1.000 3.576 14.432 -17.363 -99.200 -91.000 HIS 285 0.900 9.539 16.275 -8.994 -99.200 -91.000 HIS 293 0.900 12.540 8.270 -25.328 -99.200 -91.000 PHE 305 1.000 14.269 14.824 -33.105 -99.200 -91.000 HIS 314 0.900 12.065 20.214 -15.584 -99.200 -91.000 TYR 328 0.840 10.981 -0.024 -37.404 -99.200 -91.000 TYR 330 0.840 9.403 -8.474 -32.658 -99.200 -91.000 PHE 362 1.000 20.939 -3.212 -18.140 -99.200 -91.000 PHE 382 1.000 19.144 -9.820 -11.765 -99.200 -91.000 PHE 388 1.000 15.718 -14.936 -11.341 -99.200 -91.000 PHE 405 1.000 36.025 -11.536 -33.377 -99.200 -91.000 TYR 406 0.840 42.196 -14.162 -25.115 -99.200 -91.000 PHE 409 1.000 34.171 -13.178 -23.231 -99.200 -91.000 PHE 410 1.000 40.529 -13.206 -20.722 -99.200 -91.000 PHE 421 1.000 21.265 -9.257 -25.076 -99.200 -91.000 TYR 423 0.840 25.243 -0.192 -28.786 -99.200 -91.000 TYR 434 0.840 14.259 -18.542 -15.195 -99.200 -91.000 PHE 443 1.000 6.838 -18.629 -25.543 -99.200 -91.000