============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 2 1.000 0.000 12.589 42.339 -99.200 -91.000 TYR 22 0.840 -1.005 2.518 38.477 -99.200 -91.000 HIS 35 0.900 -17.819 17.897 28.334 -99.200 -91.000 PHE 37 1.000 -17.950 14.082 24.610 -99.200 -91.000 HIS 42 0.900 -25.894 14.467 15.067 -99.200 -91.000 TYR 47 0.840 -25.458 9.786 1.951 -99.200 -91.000 TRP 50 1.040 -20.362 8.274 13.360 -99.200 -91.000 TRP6 50 1.020 -21.749 7.450 15.091 -99.200 -91.000 TRP 81 1.040 -18.058 4.528 16.004 -99.200 -91.000 TRP6 81 1.020 -17.950 6.765 16.817 -99.200 -91.000 PHE 85 1.000 -14.361 5.279 5.764 -99.200 -91.000 TYR 101 0.840 -22.047 1.424 13.724 -99.200 -91.000 TYR 123 0.840 -14.016 -16.502 8.814 -99.200 -91.000 PHE 130 1.000 -17.756 -12.893 5.297 -99.200 -91.000 PHE 133 1.000 -22.145 -3.044 11.012 -99.200 -91.000 TYR 137 0.840 -18.344 -6.076 3.133 -99.200 -91.000 HIS 152 0.900 -11.413 16.762 -4.995 -99.200 -91.000 HIS 155 0.900 -2.384 10.597 4.148 -99.200 -91.000 TYR 162 0.840 -11.189 13.568 12.222 -99.200 -91.000 PHE 163 1.000 -12.865 12.466 16.912 -99.200 -91.000 TYR 165 0.840 -4.600 15.177 10.886 -99.200 -91.000 TRP 173 1.040 -3.639 4.749 8.724 -99.200 -91.000 TRP6 173 1.020 -1.995 6.398 8.276 -99.200 -91.000 TYR 175 0.840 -3.173 -5.869 15.276 -99.200 -91.000 TRP 191 1.040 -3.466 -0.903 5.744 -99.200 -91.000 TRP6 191 1.020 -5.471 -0.657 6.981 -99.200 -91.000 TRP 198 1.040 -15.028 -6.343 -4.391 -99.200 -91.000 TRP6 198 1.020 -16.444 -5.408 -2.734 -99.200 -91.000 TRP 205 1.040 -6.651 6.936 -0.631 -99.200 -91.000 TRP6 205 1.020 -8.885 6.291 -1.061 -99.200 -91.000 PHE 206 1.000 -6.664 2.758 4.195 -99.200 -91.000 HIS 211 0.900 1.265 -5.082 16.449 -99.200 -91.000 HIS 218 0.900 5.060 14.781 22.129 -99.200 -91.000 TRP 219 1.040 -4.026 19.157 22.748 -99.200 -91.000 TRP6 219 1.020 -4.634 19.691 24.966 -99.200 -91.000 HIS 235 0.900 -12.993 -2.638 18.173 -99.200 -91.000 TYR 253 0.840 -13.945 -10.871 25.289 -99.200 -91.000 TRP 259 1.040 -22.747 -2.509 17.821 -99.200 -91.000 TRP6 259 1.020 -23.678 -4.095 16.309 -99.200 -91.000 PHE 264 1.000 -12.260 -18.021 22.362 -99.200 -91.000 PHE 270 1.000 -9.832 -20.997 17.947 -99.200 -91.000 TYR 290 0.840 -4.823 -13.163 16.474 -99.200 -91.000 TRP 300 1.040 -29.676 -0.449 17.239 -99.200 -91.000 TRP6 300 1.020 -29.463 1.876 16.823 -99.200 -91.000 PHE 329 1.000 -44.002 -10.471 25.209 -99.200 -91.000 PHE 338 1.000 -35.114 -7.008 15.244 -99.200 -91.000 PHE 371 1.000 -33.837 -5.449 29.498 -99.200 -91.000 TYR 378 0.840 -26.191 -11.227 26.131 -99.200 -91.000 HIS 383 0.900 -23.267 -25.364 22.881 -99.200 -91.000 PHE 393 1.000 -15.546 -19.496 27.139 -99.200 -91.000 HIS 397 0.900 -14.499 -11.758 34.543 -99.200 -91.000 PHE 449 1.000 -5.469 -1.535 33.495 -99.200 -91.000 PHE 462 1.000 -25.538 -9.888 38.877 -99.200 -91.000 HIS 472 0.900 -37.616 -24.002 35.763 -99.200 -91.000 TYR 473 0.840 -37.499 -20.492 25.829 -99.200 -91.000 HIS 478 0.900 -29.782 -26.828 25.672 -99.200 -91.000