============================================================================= 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. HIS 27 0.900 62.200 58.749 61.303 -99.200 -91.000 TRP 40 1.040 40.958 62.928 53.571 -99.200 -91.000 TRP6 40 1.020 39.302 63.912 54.947 -99.200 -91.000 PHE 44 1.000 47.882 67.005 44.628 -99.200 -91.000 PHE 63 1.000 52.895 60.011 47.276 -99.200 -91.000 TYR 65 0.840 43.991 62.840 43.589 -99.200 -91.000 TRP 69 1.040 34.613 56.590 41.671 -99.200 -91.000 TRP6 69 1.020 36.017 54.684 41.631 -99.200 -91.000 TYR 74 0.840 39.720 63.573 41.892 -99.200 -91.000 TYR 95 0.840 54.694 50.036 49.425 -99.200 -91.000 PHE 106 1.000 47.454 53.617 37.750 -99.200 -91.000 PHE 118 1.000 54.961 52.147 41.616 -99.200 -91.000 HIS 125 0.900 38.680 50.685 50.319 -99.200 -91.000 TYR 127 0.840 33.444 51.920 52.568 -99.200 -91.000 PHE 167 1.000 42.677 37.474 62.717 -99.200 -91.000 HIS 168 0.900 40.932 29.888 55.654 -99.200 -91.000 PHE 196 1.000 45.433 34.681 63.408 -99.200 -91.000 TYR 199 0.840 53.227 44.228 52.396 -99.200 -91.000 PHE 202 1.000 46.364 51.535 56.099 -99.200 -91.000 TYR 225 0.840 46.078 46.935 71.525 -99.200 -91.000 PHE 227 1.000 51.611 45.239 64.514 -99.200 -91.000 TYR 237 0.840 46.454 33.953 76.829 -99.200 -91.000 HIS 246 0.900 34.455 49.100 80.346 -99.200 -91.000 HIS 253 0.900 45.770 40.407 82.440 -99.200 -91.000 PHE 257 1.000 50.059 37.638 78.739 -99.200 -91.000 PHE 262 1.000 52.363 33.160 78.380 -99.200 -91.000 TYR 266 0.840 43.670 40.333 78.171 -99.200 -91.000 HIS 268 0.900 40.536 46.840 74.663 -99.200 -91.000 PHE 277 1.000 34.913 35.526 71.311 -99.200 -91.000 TYR 281 0.840 37.247 34.507 66.779 -99.200 -91.000 PHE 286 1.000 41.622 33.265 68.545 -99.200 -91.000 PHE 289 1.000 38.621 33.496 74.914 -99.200 -91.000 HIS 295 0.900 28.680 38.663 77.013 -99.200 -91.000 TYR 330 0.840 40.209 27.899 86.594 -99.200 -91.000 TYR 360 0.840 30.433 31.416 97.913 -99.200 -91.000 TYR 375 0.840 12.425 42.472 96.404 -99.200 -91.000 TYR 397 0.840 19.174 48.440 105.425 -99.200 -91.000 HIS 427 0.900 22.533 56.473 108.713 -99.200 -91.000 TYR 428 0.840 26.012 52.279 104.079 -99.200 -91.000 PHE 432 1.000 34.810 47.071 96.152 -99.200 -91.000 TYR 436 0.840 38.674 48.692 85.681 -99.200 -91.000 PHE 461 1.000 41.757 45.920 85.949 -99.200 -91.000 TYR 466 0.840 47.494 40.024 92.648 -99.200 -91.000 PHE 469 1.000 51.564 36.477 84.778 -99.200 -91.000 PHE 472 1.000 43.949 34.581 81.330 -99.200 -91.000 TYR 482 0.840 49.394 41.592 86.445 -99.200 -91.000 TRP 483 1.040 49.558 45.556 94.093 -99.200 -91.000 TRP6 483 1.020 47.353 46.413 94.188 -99.200 -91.000 TYR 489 0.840 53.920 51.262 81.675 -99.200 -91.000 TYR 496 0.840 35.079 55.894 76.627 -99.200 -91.000 PHE 497 1.000 42.607 51.619 75.554 -99.200 -91.000