============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 7 1.000 -24.045 -33.892 19.260 -99.200 -91.000 PHE 9 1.000 -19.605 -34.484 20.821 -99.200 -91.000 TYR 15 0.840 -19.111 -26.403 17.893 -99.200 -91.000 PHE 24 1.000 -17.258 -30.979 23.308 -99.200 -91.000 TRP 34 1.040 -19.006 -42.046 21.010 -99.200 -91.000 TRP6 34 1.020 -19.947 -40.369 19.630 -99.200 -91.000 TRP 35 1.040 -16.172 -44.110 14.358 -99.200 -91.000 TRP6 35 1.020 -14.055 -43.553 13.445 -99.200 -91.000 PHE 46 1.000 -10.440 -33.571 6.836 -99.200 -91.000 HIS 47 0.900 -15.205 -36.927 0.650 -99.200 -91.000 PHE 51 1.000 -14.742 -36.437 14.609 -99.200 -91.000 TRP 52 1.040 -10.596 -43.373 16.930 -99.200 -91.000 TRP6 52 1.020 -11.957 -44.944 18.072 -99.200 -91.000 HIS 66 0.900 3.453 -40.244 23.000 -99.200 -91.000 PHE 70 1.000 -1.868 -40.156 18.069 -99.200 -91.000 TYR 73 0.840 2.729 -33.251 4.723 -99.200 -91.000 PHE 81 1.000 -10.676 -27.501 5.904 -99.200 -91.000 PHE 95 1.000 2.333 -24.605 -0.529 -99.200 -91.000 HIS 104 0.900 8.959 -27.815 5.575 -99.200 -91.000 HIS 105 0.900 6.604 -27.682 13.921 -99.200 -91.000 PHE 116 1.000 5.719 -15.387 17.580 -99.200 -91.000 HIS 125 0.900 3.650 -3.317 28.861 -99.200 -91.000 PHE 147 1.000 -16.252 -6.107 24.567 -99.200 -91.000 PHE 175 1.000 -4.653 -4.013 11.470 -99.200 -91.000 HIS 176 0.900 -10.678 -5.892 3.043 -99.200 -91.000 TRP 177 1.040 -5.273 -7.926 1.627 -99.200 -91.000 TRP6 177 1.020 -3.064 -7.074 1.487 -99.200 -91.000 TYR 189 0.840 -18.504 -12.970 8.734 -99.200 -91.000 HIS 191 0.900 -19.621 -11.122 1.869 -99.200 -91.000 TYR 204 0.840 2.510 -5.484 3.039 -99.200 -91.000 PHE 239 1.000 8.233 -11.897 6.409 -99.200 -91.000 PHE 241 1.000 3.559 -20.431 1.520 -99.200 -91.000 PHE 242 1.000 6.235 -15.398 11.144 -99.200 -91.000 PHE 265 1.000 -13.643 -10.405 33.801 -99.200 -91.000 HIS 268 0.900 -19.222 -16.446 35.677 -99.200 -91.000 TRP 272 1.040 -16.604 -5.858 35.373 -99.200 -91.000 TRP6 272 1.020 -14.617 -5.701 34.080 -99.200 -91.000 TYR 275 0.840 -9.220 -7.485 35.121 -99.200 -91.000 TRP 290 1.040 -16.031 -19.035 30.959 -99.200 -91.000 TRP6 290 1.020 -16.563 -20.445 32.784 -99.200 -91.000 PHE 297 1.000 -6.070 -25.945 15.688 -99.200 -91.000 TYR 305 0.840 -0.117 -43.905 20.872 -99.200 -91.000 PHE 321 1.000 -14.262 -32.561 19.512 -99.200 -91.000 TYR 322 0.840 -6.920 -28.041 21.454 -99.200 -91.000 PHE 327 1.000 -15.027 -25.291 30.741 -99.200 -91.000 PHE 332 1.000 -8.564 -27.370 34.135 -99.200 -91.000 PHE 336 1.000 -18.701 -27.405 33.379 -99.200 -91.000 PHE 338 1.000 -14.300 -15.919 34.305 -99.200 -91.000 HIS 347 0.900 -5.137 -22.284 29.338 -99.200 -91.000 PHE 350 1.000 -2.573 -19.491 25.007 -99.200 -91.000 HIS 356 0.900 2.897 -28.766 14.957 -99.200 -91.000 TYR 357 0.840 1.725 -24.376 24.840 -99.200 -91.000 PHE 372 1.000 -10.994 -8.816 29.157 -99.200 -91.000 HIS 378 0.900 -10.043 4.638 29.093 -99.200 -91.000 TRP 395 1.040 -12.073 -24.629 12.190 -99.200 -91.000 TRP6 395 1.020 -10.302 -23.253 12.883 -99.200 -91.000 HIS 401 0.900 -21.701 -8.629 13.965 -99.200 -91.000 TRP 402 1.040 -22.474 -9.459 24.014 -99.200 -91.000 TRP6 402 1.020 -20.866 -9.176 25.730 -99.200 -91.000 TYR 406 0.840 -18.894 0.039 24.638 -99.200 -91.000