============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 15 1.000 33.502 55.608 41.180 -99.200 -91.000 PHE 17 1.000 26.552 57.186 46.968 -99.200 -91.000 TYR 29 0.840 21.549 53.210 47.915 -99.200 -91.000 PHE 37 1.000 29.990 54.820 44.836 -99.200 -91.000 TRP 48 1.040 12.710 76.253 43.778 -99.200 -91.000 TRP6 48 1.020 13.618 78.175 42.714 -99.200 -91.000 PHE 58 1.000 14.094 78.219 51.660 -99.200 -91.000 PHE 60 1.000 17.170 74.134 53.652 -99.200 -91.000 TYR 69 0.840 26.365 57.999 53.276 -99.200 -91.000 TYR 78 0.840 29.252 68.538 42.347 -99.200 -91.000 HIS 80 0.900 22.179 67.973 40.239 -99.200 -91.000 TRP 84 1.040 17.491 70.998 35.824 -99.200 -91.000 TRP6 84 1.020 16.701 68.965 36.747 -99.200 -91.000 HIS 85 0.900 15.187 72.631 32.105 -99.200 -91.000 TRP 91 1.040 6.838 77.814 45.231 -99.200 -91.000 TRP6 91 1.020 8.420 79.578 45.236 -99.200 -91.000 PHE 100 1.000 11.464 82.683 37.765 -99.200 -91.000 HIS 107 0.900 15.765 77.107 45.809 -99.200 -91.000 HIS 114 0.900 20.048 74.038 55.968 -99.200 -91.000 PHE 115 1.000 22.030 71.667 52.423 -99.200 -91.000 TRP 122 1.040 26.110 74.848 46.653 -99.200 -91.000 TRP6 122 1.020 24.132 73.554 46.853 -99.200 -91.000 PHE 129 1.000 25.087 77.526 27.738 -99.200 -91.000 PHE 141 1.000 15.208 79.204 37.091 -99.200 -91.000 TYR 149 0.840 19.167 81.470 33.659 -99.200 -91.000 PHE 154 1.000 27.701 79.937 38.106 -99.200 -91.000 TYR 171 0.840 21.015 67.240 28.502 -99.200 -91.000 TYR 184 0.840 36.276 77.492 25.068 -99.200 -91.000 PHE 190 1.000 29.115 83.743 33.688 -99.200 -91.000 PHE 202 1.000 32.741 69.209 30.644 -99.200 -91.000 HIS 205 0.900 22.857 61.439 32.945 -99.200 -91.000 PHE 215 1.000 33.778 63.272 28.297 -99.200 -91.000 PHE 222 1.000 34.182 73.709 28.420 -99.200 -91.000 TYR 254 0.840 30.288 52.969 33.559 -99.200 -91.000 TRP 273 1.040 21.867 60.932 38.188 -99.200 -91.000 TRP6 273 1.020 22.711 62.710 39.506 -99.200 -91.000 TYR 279 0.840 16.652 50.951 44.533 -99.200 -91.000 TRP 281 1.040 18.845 58.673 34.863 -99.200 -91.000 TRP6 281 1.020 18.246 59.714 32.819 -99.200 -91.000 PHE 286 1.000 16.366 58.397 27.531 -99.200 -91.000 TRP 295 1.040 27.941 47.299 42.689 -99.200 -91.000 TRP6 295 1.020 29.166 49.325 42.703 -99.200 -91.000 TYR 299 0.840 21.811 46.499 45.753 -99.200 -91.000 TYR 305 0.840 34.143 47.021 41.520 -99.200 -91.000 PHE 312 1.000 38.858 56.702 39.301 -99.200 -91.000