============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 11 1.000 -13.610 12.933 -7.155 -99.200 -91.000 PHE 21 1.000 -20.964 26.335 -11.492 -99.200 -91.000 TYR 22 0.840 -27.309 23.482 -2.781 -99.200 -91.000 HIS 23 0.900 -31.558 24.317 -4.392 -99.200 -91.000 HIS 25 0.900 -24.516 31.012 -4.882 -99.200 -91.000 HIS 26 0.900 -33.576 30.233 -9.794 -99.200 -91.000 TYR 28 0.840 -39.658 30.968 -6.654 -99.200 -91.000 HIS 29 0.900 -32.204 30.507 -1.016 -99.200 -91.000 HIS 33 0.900 -31.205 34.727 3.185 -99.200 -91.000 TRP 45 1.040 -39.208 26.526 -2.722 -99.200 -91.000 TRP6 45 1.020 -39.006 25.802 -0.466 -99.200 -91.000 PHE 50 1.000 -45.812 16.018 -0.354 -99.200 -91.000 TYR 51 0.840 -43.306 14.778 -9.014 -99.200 -91.000 TYR 52 0.840 -35.255 17.005 -4.761 -99.200 -91.000 TRP 76 1.040 -28.856 4.731 -0.682 -99.200 -91.000 TRP6 76 1.020 -26.953 6.134 -0.822 -99.200 -91.000 HIS 83 0.900 -36.363 12.084 2.843 -99.200 -91.000 HIS 87 0.900 -41.986 0.436 9.876 -99.200 -91.000 TRP 96 1.040 -42.351 19.872 1.724 -99.200 -91.000 TRP6 96 1.020 -40.188 20.820 1.770 -99.200 -91.000 HIS 115 0.900 -52.329 23.434 -6.283 -99.200 -91.000 PHE 122 1.000 -42.266 17.156 -18.457 -99.200 -91.000 TYR 127 0.840 -31.745 12.604 -7.558 -99.200 -91.000 PHE 130 1.000 -27.234 9.318 -13.251 -99.200 -91.000 TRP 136 1.040 -23.605 -0.411 -6.589 -99.200 -91.000 TRP6 136 1.020 -22.552 0.545 -4.677 -99.200 -91.000 PHE 148 1.000 -22.295 21.561 -2.584 -99.200 -91.000 HIS 153 0.900 -32.446 21.853 4.565 -99.200 -91.000 TRP 160 1.040 -37.843 31.294 4.713 -99.200 -91.000 TRP6 160 1.020 -39.147 29.407 4.150 -99.200 -91.000 HIS 163 0.900 -36.746 39.068 5.696 -99.200 -91.000 TYR 164 0.840 -41.059 35.589 3.741 -99.200 -91.000 TRP 166 1.040 -46.826 35.460 6.539 -99.200 -91.000 TRP6 166 1.020 -46.797 33.682 4.984 -99.200 -91.000 TYR 172 0.840 -39.746 28.524 10.391 -99.200 -91.000 PHE 173 1.000 -39.466 17.661 13.321 -99.200 -91.000 PHE 174 1.000 -37.399 18.122 5.214 -99.200 -91.000 PHE 175 1.000 -37.178 24.626 5.688 -99.200 -91.000 HIS 188 0.900 -22.965 4.922 2.737 -99.200 -91.000 TYR 196 0.840 -17.376 4.026 -9.414 -99.200 -91.000 PHE 212 1.000 -28.851 14.088 -14.007 -99.200 -91.000 TRP 218 1.040 -30.422 27.878 -12.190 -99.200 -91.000 TRP6 218 1.020 -29.007 28.892 -10.568 -99.200 -91.000 TYR 228 0.840 -46.124 28.936 -8.619 -99.200 -91.000 TYR 235 0.840 -50.534 23.965 -21.775 -99.200 -91.000 HIS 236 0.900 -48.400 32.804 -20.689 -99.200 -91.000 TRP 244 1.040 -50.254 21.456 -14.159 -99.200 -91.000 TRP6 244 1.020 -50.478 23.788 -13.887 -99.200 -91.000 HIS 245 0.900 -48.058 15.220 -17.170 -99.200 -91.000 HIS 253 0.900 -55.504 3.414 -15.925 -99.200 -91.000 HIS 254 0.900 -57.715 5.495 -12.426 -99.200 -91.000