============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TYR 3 0.840 -39.622 6.412 27.497 -99.200 -91.000 PHE 19 1.000 -40.003 -2.041 32.954 -99.200 -91.000 PHE 33 1.000 -21.208 -8.583 37.949 -99.200 -91.000 TYR 36 0.840 -12.431 -11.266 40.290 -99.200 -91.000 PHE 37 1.000 -16.345 -18.696 40.484 -99.200 -91.000 TRP 42 1.040 -12.754 -18.791 49.904 -99.200 -91.000 TRP6 42 1.020 -11.395 -17.009 50.615 -99.200 -91.000 HIS 45 0.900 -20.259 -10.802 42.125 -99.200 -91.000 TRP 51 1.040 -19.626 3.430 40.011 -99.200 -91.000 TRP6 51 1.020 -21.851 4.193 39.951 -99.200 -91.000 TRP 86 1.040 -18.343 2.914 50.349 -99.200 -91.000 TRP6 86 1.020 -20.244 1.536 50.576 -99.200 -91.000 HIS 89 0.900 -13.256 10.641 54.745 -99.200 -91.000 TYR 95 0.840 -11.295 -9.027 50.220 -99.200 -91.000 HIS 96 0.900 -11.961 -9.070 44.352 -99.200 -91.000 TRP 100 1.040 -26.045 -14.175 45.885 -99.200 -91.000 TRP6 100 1.020 -26.714 -16.403 45.522 -99.200 -91.000 TYR 117 0.840 -23.925 -15.989 71.483 -99.200 -91.000 PHE 121 1.000 -26.496 -14.166 64.912 -99.200 -91.000 TYR 132 0.840 -28.446 -16.781 51.157 -99.200 -91.000 PHE 133 1.000 -28.856 -15.777 55.683 -99.200 -91.000 TRP 140 1.040 -13.460 -13.666 55.663 -99.200 -91.000 TRP6 140 1.020 -12.140 -12.526 54.072 -99.200 -91.000 PHE 159 1.000 -23.294 -3.957 55.422 -99.200 -91.000 TRP 165 1.040 -20.786 -0.456 45.085 -99.200 -91.000 TRP6 165 1.020 -19.101 1.027 45.787 -99.200 -91.000 TRP 168 1.040 -21.995 6.511 49.874 -99.200 -91.000 TRP6 168 1.020 -19.789 6.550 49.057 -99.200 -91.000 HIS 176 0.900 -24.086 3.990 54.384 -99.200 -91.000 TYR 180 0.840 -38.690 -0.911 56.527 -99.200 -91.000 PHE 188 1.000 -34.097 -4.039 59.832 -99.200 -91.000 HIS 191 0.900 -39.566 -11.462 64.484 -99.200 -91.000 TRP 195 1.040 -29.068 -0.788 61.177 -99.200 -91.000 TRP6 195 1.020 -28.779 -2.420 59.499 -99.200 -91.000 TYR 219 0.840 -34.986 4.867 48.739 -99.200 -91.000 TYR 225 0.840 -19.798 13.374 39.051 -99.200 -91.000 HIS 226 0.900 -21.171 9.175 39.115 -99.200 -91.000 PHE 227 1.000 -29.875 9.220 34.380 -99.200 -91.000 TYR 228 0.840 -26.376 9.399 30.825 -99.200 -91.000 PHE 246 1.000 -44.573 -3.747 44.422 -99.200 -91.000 PHE 251 1.000 -49.084 -6.141 44.162 -99.200 -91.000 TYR 260 0.840 -37.311 -21.938 37.945 -99.200 -91.000 PHE 265 1.000 -32.399 -17.051 45.502 -99.200 -91.000 TYR 285 0.840 -44.382 -5.825 49.291 -99.200 -91.000 TYR 293 0.840 -42.611 -9.068 58.964 -99.200 -91.000 PHE 300 1.000 -27.038 -21.630 49.463 -99.200 -91.000 TRP 308 1.040 -19.218 -26.005 36.763 -99.200 -91.000 TRP6 308 1.020 -19.739 -28.298 36.673 -99.200 -91.000 TYR 324 0.840 -25.397 -30.731 23.747 -99.200 -91.000 TYR 335 0.840 -31.670 -38.846 40.157 -99.200 -91.000 PHE 340 1.000 -21.701 -26.558 40.883 -99.200 -91.000 TYR 347 0.840 -31.982 -31.204 51.040 -99.200 -91.000 TRP 348 1.040 -31.543 -23.747 55.235 -99.200 -91.000 TRP6 348 1.020 -30.642 -21.834 54.192 -99.200 -91.000 PHE 357 1.000 -24.218 -38.687 44.208 -99.200 -91.000 HIS 367 0.900 -27.848 -40.558 28.439 -99.200 -91.000 PHE 368 1.000 -22.107 -33.987 33.459 -99.200 -91.000 TYR 378 0.840 -35.142 -34.474 39.850 -99.200 -91.000 PHE 407 1.000 -35.710 -31.287 29.971 -99.200 -91.000 PHE 410 1.000 -37.648 -33.335 35.135 -99.200 -91.000 PHE 434 1.000 -45.814 -0.888 37.936 -99.200 -91.000 PHE 442 1.000 -43.886 6.590 34.180 -99.200 -91.000 TRP 443 1.040 -47.000 3.061 36.014 -99.200 -91.000 TRP6 443 1.020 -44.723 2.496 36.223 -99.200 -91.000 TRP 453 1.040 -48.305 -12.162 35.059 -99.200 -91.000 TRP6 453 1.020 -49.574 -13.992 34.277 -99.200 -91.000 PHE 459 1.000 -44.192 -24.390 29.614 -99.200 -91.000 TYR 471 0.840 -38.911 -34.976 45.309 -99.200 -91.000 TRP 474 1.040 -33.518 -33.968 44.391 -99.200 -91.000 TRP6 474 1.020 -31.679 -32.945 43.342 -99.200 -91.000 PHE 484 1.000 -16.112 -35.663 48.993 -99.200 -91.000