============================================================================= 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 15 1.000 23.947 5.841 -2.503 -99.200 -91.000 TYR 25 0.840 25.773 2.092 -5.967 -99.200 -91.000 PHE 27 1.000 18.306 8.678 -10.464 -99.200 -91.000 TYR 47 0.840 20.416 10.291 -4.326 -99.200 -91.000 PHE 51 1.000 5.658 4.216 -4.886 -99.200 -91.000 TYR 59 0.840 7.417 8.317 -14.871 -99.200 -91.000 PHE 71 1.000 1.825 -7.413 2.649 -99.200 -91.000 PHE 72 1.000 9.344 -10.387 7.406 -99.200 -91.000 PHE 86 1.000 4.151 4.514 -9.711 -99.200 -91.000 TYR 90 0.840 3.639 1.324 -17.118 -99.200 -91.000 TYR 95 0.840 10.434 -3.271 -20.000 -99.200 -91.000 TYR 96 0.840 10.489 -8.703 -10.253 -99.200 -91.000 PHE 98 1.000 14.646 -13.834 -10.387 -99.200 -91.000 PHE 105 1.000 4.873 -9.688 -10.219 -99.200 -91.000 TRP 109 1.040 -6.585 -9.530 -4.530 -99.200 -91.000 TRP6 109 1.020 -7.516 -8.021 -2.960 -99.200 -91.000 TRP 117 1.040 -3.519 -5.766 6.963 -99.200 -91.000 TRP6 117 1.020 -2.506 -5.680 4.824 -99.200 -91.000 TYR 119 0.840 -10.281 -1.701 6.619 -99.200 -91.000 TYR 121 0.840 -3.963 -1.444 0.284 -99.200 -91.000 HIS 148 0.900 10.107 -14.791 -11.890 -99.200 -91.000 PHE 157 1.000 10.576 -15.823 -17.510 -99.200 -91.000 TYR 159 0.840 23.157 -12.978 -19.081 -99.200 -91.000 PHE 160 1.000 22.106 -5.698 -18.974 -99.200 -91.000 TYR 165 0.840 24.265 -1.993 -9.797 -99.200 -91.000 HIS 168 0.900 30.088 -1.605 -17.289 -99.200 -91.000 PHE 172 1.000 35.457 0.593 -10.934 -99.200 -91.000 TYR 186 0.840 30.291 -13.853 2.282 -99.200 -91.000 PHE 190 1.000 21.895 -17.878 8.405 -99.200 -91.000 PHE 202 1.000 34.920 -22.547 0.406 -99.200 -91.000 PHE 204 1.000 31.044 -20.040 10.826 -99.200 -91.000 PHE 212 1.000 29.158 -13.668 7.190 -99.200 -91.000 PHE 213 1.000 31.833 -6.501 4.724 -99.200 -91.000 PHE 221 1.000 26.433 -18.399 9.905 -99.200 -91.000 TYR 226 0.840 24.996 -27.619 6.194 -99.200 -91.000 TRP 228 1.040 29.311 -23.058 13.672 -99.200 -91.000 TRP6 228 1.020 29.645 -21.586 15.495 -99.200 -91.000 PHE 234 1.000 29.328 -14.056 12.163 -99.200 -91.000 TYR 261 0.840 22.592 -16.332 -6.581 -99.200 -91.000 PHE 265 1.000 21.220 -15.246 -10.532 -99.200 -91.000 TRP 271 1.040 30.861 -7.353 -11.625 -99.200 -91.000 TRP6 271 1.020 32.507 -7.926 -13.225 -99.200 -91.000 PHE 286 1.000 29.605 -17.598 -7.855 -99.200 -91.000 HIS 290 0.900 39.044 -22.448 -12.985 -99.200 -91.000 PHE 298 1.000 43.269 -14.571 -9.480 -99.200 -91.000 TYR 299 0.840 38.239 -19.796 -10.342 -99.200 -91.000 HIS 315 0.900 56.507 -17.862 2.057 -99.200 -91.000 HIS 328 0.900 43.190 -4.339 -8.783 -99.200 -91.000 TRP 341 1.040 26.299 -3.901 -18.507 -99.200 -91.000 TRP6 341 1.020 25.497 -2.019 -17.327 -99.200 -91.000 PHE 345 1.000 18.880 -1.325 -18.347 -99.200 -91.000