============================================================================= 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. TRP 6 1.040 36.607 40.635 50.689 -99.200 -91.000 TRP6 6 1.020 37.987 39.626 52.311 -99.200 -91.000 HIS 12 0.900 37.587 47.173 36.727 -99.200 -91.000 PHE 20 1.000 38.863 34.582 47.921 -99.200 -91.000 HIS 23 0.900 39.942 29.319 40.420 -99.200 -91.000 TYR 43 0.840 37.349 54.276 51.737 -99.200 -91.000 TYR 66 0.840 42.365 57.656 63.284 -99.200 -91.000 TYR 69 0.840 38.834 53.402 67.191 -99.200 -91.000 PHE 82 1.000 53.401 37.416 54.577 -99.200 -91.000 TYR 83 0.840 52.352 44.961 51.929 -99.200 -91.000 PHE 92 1.000 58.450 47.403 57.039 -99.200 -91.000 TYR 93 0.840 52.363 50.398 52.469 -99.200 -91.000 TYR 94 0.840 60.844 51.409 53.643 -99.200 -91.000 PHE 105 1.000 58.400 68.720 40.470 -99.200 -91.000 HIS 117 0.900 47.348 63.808 46.267 -99.200 -91.000 TRP 126 1.040 44.809 63.260 52.309 -99.200 -91.000 TRP6 126 1.020 44.377 64.945 50.714 -99.200 -91.000 TYR 134 0.840 47.856 71.393 58.569 -99.200 -91.000 PHE 151 1.000 51.441 73.113 48.286 -99.200 -91.000 PHE 152 1.000 49.853 69.204 45.416 -99.200 -91.000 PHE 165 1.000 36.539 70.426 49.341 -99.200 -91.000 TYR 183 0.840 44.867 59.371 35.405 -99.200 -91.000 PHE 184 1.000 40.785 53.285 44.014 -99.200 -91.000 TYR 186 0.840 49.577 51.476 47.133 -99.200 -91.000 PHE 190 1.000 54.414 54.430 37.480 -99.200 -91.000 PHE 202 1.000 52.685 63.497 46.708 -99.200 -91.000 HIS 205 0.900 58.367 49.718 49.530 -99.200 -91.000 PHE 209 1.000 61.418 49.334 41.859 -99.200 -91.000 TYR 221 0.840 58.570 57.074 35.381 -99.200 -91.000 TYR 236 0.840 62.762 50.592 48.049 -99.200 -91.000 HIS 240 0.900 61.966 55.795 53.839 -99.200 -91.000 HIS 247 0.900 46.889 48.822 51.498 -99.200 -91.000 TRP 262 1.040 44.074 32.912 61.004 -99.200 -91.000 TRP6 262 1.020 45.743 33.845 59.599 -99.200 -91.000 HIS 271 0.900 43.997 24.866 49.157 -99.200 -91.000 PHE 272 1.000 42.949 28.777 44.919 -99.200 -91.000 PHE 280 1.000 41.582 33.440 42.737 -99.200 -91.000 PHE 283 1.000 48.380 37.538 48.283 -99.200 -91.000 HIS 287 0.900 39.093 40.104 35.178 -99.200 -91.000 PHE 293 1.000 42.546 39.711 49.732 -99.200 -91.000 HIS 298 0.900 56.008 38.382 48.408 -99.200 -91.000 PHE 300 1.000 45.695 37.361 52.947 -99.200 -91.000 TYR 312 0.840 47.405 46.884 61.918 -99.200 -91.000 TYR 315 0.840 51.775 58.283 70.594 -99.200 -91.000 TYR 317 0.840 49.439 56.031 59.304 -99.200 -91.000