============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 10 1.000 -9.759 10.095 19.953 -99.200 -91.000 TRP 32 1.040 -35.093 14.058 6.615 -99.200 -91.000 TRP6 32 1.020 -33.078 14.879 5.702 -99.200 -91.000 HIS 43 0.900 -42.108 31.840 3.553 -99.200 -91.000 PHE 49 1.000 -37.213 44.187 11.398 -99.200 -91.000 TRP 53 1.040 -35.090 50.687 11.067 -99.200 -91.000 TRP6 53 1.020 -34.577 52.788 12.006 -99.200 -91.000 HIS 62 0.900 -39.494 36.903 11.210 -99.200 -91.000 HIS 70 0.900 -44.470 25.949 21.680 -99.200 -91.000 TYR 81 0.840 -36.101 34.098 20.689 -99.200 -91.000 TRP 94 1.040 -34.201 14.237 29.615 -99.200 -91.000 TRP6 94 1.020 -31.897 13.925 29.200 -99.200 -91.000 PHE 107 1.000 -27.260 15.601 30.740 -99.200 -91.000 TYR 125 0.840 -26.804 49.884 29.996 -99.200 -91.000 HIS 179 0.900 -14.803 23.076 22.332 -99.200 -91.000 TRP 181 1.040 -16.056 12.966 19.246 -99.200 -91.000 TRP6 181 1.020 -13.749 13.410 18.961 -99.200 -91.000 PHE 209 1.000 -23.636 39.687 9.930 -99.200 -91.000 PHE 229 1.000 -21.211 25.469 -2.437 -99.200 -91.000 PHE 236 1.000 -25.847 36.510 5.760 -99.200 -91.000 PHE 238 1.000 -29.325 37.630 9.363 -99.200 -91.000 HIS 252 0.900 -25.501 6.812 28.835 -99.200 -91.000 PHE 274 1.000 -7.690 36.546 4.236 -99.200 -91.000 HIS 275 0.900 -11.110 40.958 6.477 -99.200 -91.000 HIS 306 0.900 -23.988 15.001 2.554 -99.200 -91.000 HIS 310 0.900 -20.735 28.449 7.049 -99.200 -91.000 TYR 336 0.840 -29.131 19.899 1.866 -99.200 -91.000 HIS 344 0.900 -25.148 32.144 8.608 -99.200 -91.000 TYR 372 0.840 -25.539 23.941 -8.156 -99.200 -91.000 TYR 390 0.840 -34.572 8.875 -2.050 -99.200 -91.000 TYR 393 0.840 -25.811 9.926 0.089 -99.200 -91.000 TYR 395 0.840 -17.346 6.028 7.103 -99.200 -91.000 PHE 401 1.000 -15.399 25.495 6.348 -99.200 -91.000 PHE 403 1.000 -20.159 36.166 8.416 -99.200 -91.000 HIS 406 0.900 -13.535 32.289 15.099 -99.200 -91.000 PHE 412 1.000 -22.288 14.400 12.710 -99.200 -91.000 TYR 415 0.840 -25.995 1.956 15.576 -99.200 -91.000