============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 15.242 53.417 1.756 -99.200 -91.000 PHE 6 1.000 3.866 46.947 3.660 -99.200 -91.000 PHE 7 1.000 6.983 39.471 3.074 -99.200 -91.000 PHE 10 1.000 -4.342 42.913 0.779 -99.200 -91.000 HIS 29 0.900 16.649 31.576 0.849 -99.200 -91.000 TYR 30 0.840 15.582 38.165 -4.836 -99.200 -91.000 PHE 36 1.000 15.028 45.772 -0.095 -99.200 -91.000 TYR 42 0.840 -2.646 43.989 7.068 -99.200 -91.000 HIS 45 0.900 -7.108 37.913 13.407 -99.200 -91.000 PHE 46 1.000 -11.866 36.375 12.340 -99.200 -91.000 PHE 61 1.000 8.882 28.773 8.586 -99.200 -91.000 HIS 76 0.900 -0.096 40.655 18.127 -99.200 -91.000 HIS 81 0.900 -3.477 37.698 21.751 -99.200 -91.000 HIS 82 0.900 -4.485 37.619 29.269 -99.200 -91.000 PHE 101 1.000 8.894 40.643 17.321 -99.200 -91.000 PHE 103 1.000 4.564 44.171 20.459 -99.200 -91.000 PHE 105 1.000 2.351 49.132 20.500 -99.200 -91.000 PHE 116 1.000 -14.501 35.717 16.052 -99.200 -91.000 PHE 117 1.000 -10.522 37.481 18.386 -99.200 -91.000 PHE 125 1.000 -6.339 55.868 23.916 -99.200 -91.000 PHE 128 1.000 -3.347 51.171 21.905 -99.200 -91.000 HIS 132 0.900 2.624 50.338 25.485 -99.200 -91.000 PHE 139 1.000 7.724 44.113 25.160 -99.200 -91.000 TYR 143 0.840 9.278 39.741 38.111 -99.200 -91.000 HIS 145 0.900 0.276 42.843 41.611 -99.200 -91.000 PHE 150 1.000 -10.718 48.169 30.407 -99.200 -91.000 TYR 151 0.840 -6.578 42.125 30.299 -99.200 -91.000 PHE 153 1.000 -2.940 39.111 35.102 -99.200 -91.000 HIS 161 0.900 12.309 37.632 33.832 -99.200 -91.000 PHE 163 1.000 19.914 38.684 23.630 -99.200 -91.000 PHE 171 1.000 7.038 48.928 14.151 -99.200 -91.000 TRP 182 1.040 -1.008 55.618 24.915 -99.200 -91.000 TRP6 182 1.020 0.177 53.954 23.700 -99.200 -91.000 PHE 192 1.000 3.554 58.949 10.243 -99.200 -91.000 TRP 194 1.040 -0.696 49.701 3.163 -99.200 -91.000 TRP6 194 1.020 -2.519 49.309 1.709 -99.200 -91.000 TYR 204 0.840 -3.411 59.880 12.002 -99.200 -91.000 TYR 208 0.840 5.326 61.308 17.864 -99.200 -91.000 HIS 209 0.900 7.909 68.701 15.772 -99.200 -91.000 HIS 215 0.900 1.782 66.329 26.904 -99.200 -91.000 HIS 224 0.900 7.295 59.319 14.128 -99.200 -91.000 TYR 246 0.840 -2.134 43.294 -3.769 -99.200 -91.000 PHE 250 1.000 -7.191 47.799 2.196 -99.200 -91.000 TYR 255 0.840 -9.714 52.976 3.641 -99.200 -91.000 PHE 260 1.000 -13.661 50.484 -5.981 -99.200 -91.000 TYR 276 0.840 13.642 54.309 -10.499 -99.200 -91.000 PHE 299 1.000 9.590 45.843 -3.370 -99.200 -91.000