============================================================================= 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 9 1.000 45.328 -13.841 43.911 -99.200 -91.000 TRP 11 1.040 46.313 -13.329 32.489 -99.200 -91.000 TRP6 11 1.020 44.311 -14.584 32.358 -99.200 -91.000 PHE 30 1.000 45.424 -7.941 57.921 -99.200 -91.000 TRP 53 1.040 57.640 -12.881 51.157 -99.200 -91.000 TRP6 53 1.020 56.433 -11.115 50.151 -99.200 -91.000 TYR 74 0.840 38.123 -15.284 33.214 -99.200 -91.000 TYR 78 0.840 42.266 -17.754 49.682 -99.200 -91.000 TYR 96 0.840 36.959 -18.421 45.126 -99.200 -91.000 TRP 102 1.040 28.866 -13.111 39.129 -99.200 -91.000 TRP6 102 1.020 27.619 -12.451 41.039 -99.200 -91.000 TYR 105 0.840 30.811 -13.084 45.693 -99.200 -91.000 HIS 108 0.900 35.466 -6.987 46.896 -99.200 -91.000 PHE 115 1.000 39.327 -8.341 58.342 -99.200 -91.000 PHE 125 1.000 37.714 -6.770 53.460 -99.200 -91.000 TYR 131 0.840 25.432 4.900 46.471 -99.200 -91.000 PHE 140 1.000 11.304 9.652 36.205 -99.200 -91.000 TYR 142 0.840 16.033 14.511 44.775 -99.200 -91.000 TYR 149 0.840 34.460 -2.663 50.810 -99.200 -91.000 TYR 152 0.840 35.631 -0.608 41.448 -99.200 -91.000 PHE 155 1.000 21.631 -3.215 42.493 -99.200 -91.000 HIS 158 0.900 11.450 4.623 43.457 -99.200 -91.000 TRP 169 1.040 21.527 -2.008 53.206 -99.200 -91.000 TRP6 169 1.020 21.394 -3.170 51.151 -99.200 -91.000 TYR 178 0.840 12.655 3.925 49.024 -99.200 -91.000 PHE 181 1.000 9.854 14.448 51.913 -99.200 -91.000 PHE 204 1.000 0.657 7.105 61.047 -99.200 -91.000 HIS 207 0.900 10.287 13.677 58.097 -99.200 -91.000 PHE 213 1.000 13.820 -3.048 57.323 -99.200 -91.000 PHE 222 1.000 7.638 4.026 61.954 -99.200 -91.000 TYR 233 0.840 5.185 7.451 66.749 -99.200 -91.000 TRP 257 1.040 16.266 -1.424 65.443 -99.200 -91.000 TRP6 257 1.020 14.636 -2.060 67.041 -99.200 -91.000 PHE 258 1.000 22.163 0.158 72.399 -99.200 -91.000 PHE 266 1.000 16.018 8.427 71.679 -99.200 -91.000 TYR 277 0.840 18.838 12.028 75.479 -99.200 -91.000 TRP 291 1.040 26.526 11.505 80.015 -99.200 -91.000 TRP6 291 1.020 24.972 13.084 80.824 -99.200 -91.000 PHE 307 1.000 32.532 0.056 67.173 -99.200 -91.000 HIS 319 0.900 36.388 16.485 62.188 -99.200 -91.000 PHE 337 1.000 37.694 21.018 56.488 -99.200 -91.000 TYR 353 0.840 33.196 10.130 56.757 -99.200 -91.000 PHE 372 1.000 43.127 3.379 53.636 -99.200 -91.000 PHE 385 1.000 19.733 11.409 53.776 -99.200 -91.000 TRP 388 1.040 29.078 -1.658 54.975 -99.200 -91.000 TRP6 388 1.020 31.148 -0.513 55.063 -99.200 -91.000 TYR 391 0.840 28.975 -10.023 58.894 -99.200 -91.000