============================================================================= 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 33.679 56.039 41.342 -99.200 -91.000 PHE 17 1.000 26.693 57.613 47.090 -99.200 -91.000 TYR 29 0.840 21.746 53.483 48.063 -99.200 -91.000 PHE 37 1.000 30.131 55.265 44.951 -99.200 -91.000 TRP 48 1.040 12.760 76.669 43.953 -99.200 -91.000 TRP6 48 1.020 13.701 78.581 42.911 -99.200 -91.000 PHE 58 1.000 14.165 78.647 51.873 -99.200 -91.000 PHE 60 1.000 17.236 74.535 53.853 -99.200 -91.000 TYR 69 0.840 26.523 58.399 53.418 -99.200 -91.000 TYR 78 0.840 29.319 68.983 42.401 -99.200 -91.000 HIS 80 0.900 22.235 68.376 40.366 -99.200 -91.000 TRP 84 1.040 17.569 71.433 35.987 -99.200 -91.000 TRP6 84 1.020 16.816 69.383 36.910 -99.200 -91.000 HIS 85 0.900 15.172 73.036 32.283 -99.200 -91.000 TRP 91 1.040 6.900 78.209 45.456 -99.200 -91.000 TRP6 91 1.020 8.492 79.961 45.501 -99.200 -91.000 PHE 100 1.000 11.543 83.239 37.995 -99.200 -91.000 HIS 107 0.900 15.808 77.553 46.047 -99.200 -91.000 HIS 114 0.900 20.084 74.490 56.184 -99.200 -91.000 PHE 115 1.000 22.036 71.976 52.572 -99.200 -91.000 TRP 122 1.040 26.154 75.281 46.829 -99.200 -91.000 TRP6 122 1.020 24.196 73.967 47.052 -99.200 -91.000 PHE 129 1.000 25.113 77.975 27.898 -99.200 -91.000 PHE 141 1.000 15.225 79.589 37.264 -99.200 -91.000 TYR 149 0.840 19.183 81.924 33.855 -99.200 -91.000 PHE 154 1.000 27.664 80.361 38.228 -99.200 -91.000 TYR 171 0.840 20.987 67.709 28.594 -99.200 -91.000 TYR 184 0.840 36.320 77.869 25.248 -99.200 -91.000 PHE 190 1.000 29.132 84.168 33.934 -99.200 -91.000 PHE 202 1.000 32.760 69.614 30.718 -99.200 -91.000 HIS 205 0.900 22.913 61.826 33.075 -99.200 -91.000 PHE 215 1.000 33.850 63.661 28.430 -99.200 -91.000 PHE 222 1.000 34.125 74.115 28.537 -99.200 -91.000 TYR 254 0.840 30.436 53.374 33.683 -99.200 -91.000 TRP 273 1.040 22.014 61.311 38.309 -99.200 -91.000 TRP6 273 1.020 22.857 63.103 39.615 -99.200 -91.000 TYR 279 0.840 16.727 51.370 44.599 -99.200 -91.000 TRP 281 1.040 18.969 59.119 34.870 -99.200 -91.000 TRP6 281 1.020 18.343 60.171 32.847 -99.200 -91.000 PHE 286 1.000 16.605 58.805 27.648 -99.200 -91.000 TRP 295 1.040 28.068 47.737 42.836 -99.200 -91.000 TRP6 295 1.020 29.306 49.745 42.794 -99.200 -91.000 TYR 299 0.840 21.928 47.030 45.905 -99.200 -91.000 TYR 305 0.840 34.260 47.357 41.710 -99.200 -91.000 PHE 312 1.000 38.831 57.202 39.494 -99.200 -91.000