============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 17 1.000 -10.138 29.899 54.814 -99.200 -91.000 PHE 27 1.000 -1.642 19.591 52.953 -99.200 -91.000 HIS 36 0.900 12.825 5.977 37.069 -99.200 -91.000 TYR 40 0.840 1.784 14.406 40.749 -99.200 -91.000 TYR 56 0.840 8.174 12.477 55.065 -99.200 -91.000 TRP 65 1.040 14.957 26.874 53.025 -99.200 -91.000 TRP6 65 1.020 13.310 27.902 54.394 -99.200 -91.000 TRP 72 1.040 4.499 27.520 53.419 -99.200 -91.000 TRP6 72 1.020 6.742 28.298 53.654 -99.200 -91.000 HIS 73 0.900 1.321 27.362 43.743 -99.200 -91.000 HIS 74 0.900 -1.542 20.625 47.473 -99.200 -91.000 PHE 76 1.000 -0.471 30.484 51.028 -99.200 -91.000 TYR 77 0.840 -2.229 30.149 44.356 -99.200 -91.000 HIS 87 0.900 -7.458 35.181 52.269 -99.200 -91.000 PHE 110 1.000 5.642 40.438 54.528 -99.200 -91.000 PHE 113 1.000 3.822 31.235 48.363 -99.200 -91.000 TYR 119 0.840 3.396 36.931 65.457 -99.200 -91.000 TYR 129 0.840 -1.944 32.953 73.123 -99.200 -91.000 HIS 147 0.900 11.107 21.381 70.259 -99.200 -91.000 TYR 152 0.840 6.075 36.210 83.191 -99.200 -91.000 TYR 155 0.840 5.738 38.257 75.247 -99.200 -91.000 HIS 159 0.900 15.675 31.024 80.303 -99.200 -91.000 TYR 174 0.840 11.698 0.382 70.708 -99.200 -91.000 TYR 184 0.840 3.307 -10.943 64.866 -99.200 -91.000 PHE 186 1.000 4.056 -5.753 61.002 -99.200 -91.000 TYR 204 0.840 -0.953 -0.245 77.954 -99.200 -91.000 PHE 209 1.000 9.057 -0.779 80.507 -99.200 -91.000 TYR 226 0.840 -3.817 -3.662 63.239 -99.200 -91.000 PHE 241 1.000 3.945 -2.890 78.817 -99.200 -91.000 PHE 248 1.000 6.771 8.838 80.068 -99.200 -91.000 PHE 252 1.000 12.905 1.111 76.806 -99.200 -91.000 HIS 261 0.900 10.672 10.896 83.201 -99.200 -91.000 TYR 265 0.840 13.474 18.872 88.741 -99.200 -91.000 TYR 280 0.840 7.107 21.843 89.432 -99.200 -91.000 TYR 292 0.840 1.746 6.727 72.169 -99.200 -91.000 TYR 323 0.840 -6.367 17.601 64.085 -99.200 -91.000 TRP 326 1.040 -5.048 25.430 61.846 -99.200 -91.000 TRP6 326 1.020 -7.305 26.099 62.293 -99.200 -91.000 PHE 338 1.000 -1.737 37.606 65.538 -99.200 -91.000 TRP 342 1.040 -2.158 40.486 61.612 -99.200 -91.000 TRP6 342 1.020 -1.948 38.259 60.828 -99.200 -91.000 TYR 348 0.840 10.113 41.577 53.387 -99.200 -91.000 HIS 357 0.900 15.660 37.347 63.238 -99.200 -91.000 PHE 361 1.000 9.778 39.405 71.792 -99.200 -91.000