============================================================================= 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 11 1.000 82.552 69.975 30.841 -99.200 -91.000 TRP 15 1.040 89.970 68.077 28.582 -99.200 -91.000 TRP6 15 1.020 90.127 70.283 27.753 -99.200 -91.000 TYR 25 0.840 95.421 54.893 26.562 -99.200 -91.000 HIS 42 0.900 82.873 68.147 19.880 -99.200 -91.000 HIS 52 0.900 97.080 56.218 16.642 -99.200 -91.000 TRP 56 1.040 83.475 52.167 16.915 -99.200 -91.000 TRP6 56 1.020 83.417 49.974 16.028 -99.200 -91.000 PHE 66 1.000 76.885 51.689 24.276 -99.200 -91.000 PHE 77 1.000 88.994 55.352 30.083 -99.200 -91.000 HIS 78 0.900 78.411 53.854 30.475 -99.200 -91.000 PHE 85 1.000 69.943 68.060 35.713 -99.200 -91.000 PHE 120 1.000 78.804 54.411 35.982 -99.200 -91.000 HIS 132 0.900 73.381 66.507 59.404 -99.200 -91.000 TYR 137 0.840 78.368 63.646 52.396 -99.200 -91.000 TRP 142 1.040 77.042 53.639 48.439 -99.200 -91.000 TRP6 142 1.020 76.945 53.600 46.074 -99.200 -91.000 PHE 147 1.000 66.331 64.477 51.251 -99.200 -91.000 TRP 156 1.040 63.177 64.317 40.777 -99.200 -91.000 TRP6 156 1.020 62.475 62.089 40.451 -99.200 -91.000 TYR 158 0.840 72.962 63.452 36.625 -99.200 -91.000 PHE 159 1.000 71.536 65.120 41.904 -99.200 -91.000 TRP 170 1.040 80.397 49.570 42.811 -99.200 -91.000 TRP6 170 1.020 82.602 48.874 42.394 -99.200 -91.000 TYR 172 0.840 77.833 41.864 34.925 -99.200 -91.000 PHE 180 1.000 81.967 49.084 37.721 -99.200 -91.000 PHE 192 1.000 82.809 74.593 26.830 -99.200 -91.000 HIS 214 0.900 70.474 74.015 36.832 -99.200 -91.000 TYR 215 0.840 71.124 80.749 42.471 -99.200 -91.000 PHE 223 1.000 82.308 74.508 42.989 -99.200 -91.000 HIS 225 0.900 90.648 72.557 34.739 -99.200 -91.000 HIS 233 0.900 87.063 59.881 34.165 -99.200 -91.000 TYR 235 0.840 97.216 57.748 39.252 -99.200 -91.000 PHE 237 1.000 92.637 51.213 30.990 -99.200 -91.000 TYR 246 0.840 90.192 54.766 43.561 -99.200 -91.000 HIS 251 0.900 90.003 73.977 44.261 -99.200 -91.000 TYR 266 0.840 84.866 86.218 34.389 -99.200 -91.000 TYR 269 0.840 79.460 87.895 32.511 -99.200 -91.000 PHE 275 1.000 73.863 83.858 45.737 -99.200 -91.000 PHE 287 1.000 80.816 64.706 47.593 -99.200 -91.000 PHE 297 1.000 94.750 62.951 39.838 -99.200 -91.000 PHE 299 1.000 92.250 66.268 42.724 -99.200 -91.000 TYR 301 0.840 94.261 72.388 35.161 -99.200 -91.000 PHE 307 1.000 83.391 78.044 38.886 -99.200 -91.000 HIS 324 0.900 74.892 89.208 32.783 -99.200 -91.000