============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 29 1.000 -0.688 -0.976 49.259 -99.200 -91.000 TRP 37 1.040 4.909 9.609 52.529 -99.200 -91.000 TRP6 37 1.020 7.205 10.113 52.503 -99.200 -91.000 TYR 39 0.840 4.659 13.288 43.504 -99.200 -91.000 TYR 61 0.840 0.893 24.834 46.573 -99.200 -91.000 HIS 71 0.900 14.920 13.873 37.435 -99.200 -91.000 TRP 72 1.040 9.578 18.014 36.358 -99.200 -91.000 TRP6 72 1.020 7.247 17.744 36.523 -99.200 -91.000 HIS 73 0.900 14.038 8.607 34.693 -99.200 -91.000 TRP 109 1.040 9.928 7.664 35.524 -99.200 -91.000 TRP6 109 1.020 9.995 6.799 37.727 -99.200 -91.000 PHE 110 1.000 4.834 13.715 38.595 -99.200 -91.000 HIS 111 0.900 12.326 9.587 40.234 -99.200 -91.000 HIS 113 0.900 17.437 12.280 41.776 -99.200 -91.000 HIS 115 0.900 22.922 14.128 49.828 -99.200 -91.000 TRP 146 1.040 -5.392 8.846 30.770 -99.200 -91.000 TRP6 146 1.020 -3.102 8.391 30.365 -99.200 -91.000 PHE 160 1.000 2.763 -3.789 51.459 -99.200 -91.000 TYR 168 0.840 13.697 2.005 51.587 -99.200 -91.000 TRP 179 1.040 12.685 -2.158 50.259 -99.200 -91.000 TRP6 179 1.020 10.604 -1.525 49.315 -99.200 -91.000 PHE 180 1.000 14.826 -8.807 47.184 -99.200 -91.000 TYR 191 0.840 -4.028 -11.285 38.294 -99.200 -91.000 HIS 194 0.900 -8.085 -0.949 30.896 -99.200 -91.000 TRP 200 1.040 -3.681 -2.583 16.440 -99.200 -91.000 TRP6 200 1.020 -2.237 -4.422 16.792 -99.200 -91.000 PHE 216 1.000 6.275 -5.103 32.140 -99.200 -91.000 TYR 225 0.840 2.682 -6.569 16.738 -99.200 -91.000 PHE 251 1.000 11.551 -0.491 26.303 -99.200 -91.000 PHE 263 1.000 -4.231 -10.105 26.394 -99.200 -91.000 PHE 280 1.000 7.872 -10.776 42.233 -99.200 -91.000 HIS 284 0.900 3.454 -11.864 40.729 -99.200 -91.000 TYR 341 0.840 15.218 -13.522 50.798 -99.200 -91.000 PHE 351 1.000 24.496 0.888 55.346 -99.200 -91.000 HIS 352 0.900 24.463 5.067 56.159 -99.200 -91.000 HIS 353 0.900 28.603 8.788 52.879 -99.200 -91.000 PHE 362 1.000 25.466 13.594 44.674 -99.200 -91.000 PHE 369 1.000 31.296 14.704 33.674 -99.200 -91.000 TYR 376 0.840 25.106 14.329 18.436 -99.200 -91.000 TRP 379 1.040 29.016 11.513 28.635 -99.200 -91.000 TRP6 379 1.020 27.927 12.149 30.640 -99.200 -91.000 HIS 390 0.900 26.067 -1.395 38.991 -99.200 -91.000 PHE 392 1.000 25.602 6.089 34.732 -99.200 -91.000 HIS 393 0.900 17.861 9.039 34.205 -99.200 -91.000 HIS 395 0.900 18.846 13.616 36.827 -99.200 -91.000 PHE 399 1.000 21.418 7.514 27.240 -99.200 -91.000 HIS 412 0.900 13.585 -4.210 22.566 -99.200 -91.000 TRP 416 1.040 15.266 9.715 19.731 -99.200 -91.000 TRP6 416 1.020 17.310 10.884 19.652 -99.200 -91.000 PHE 433 1.000 24.413 16.110 28.742 -99.200 -91.000 HIS 435 0.900 17.097 22.157 27.215 -99.200 -91.000 HIS 441 0.900 19.349 25.071 41.607 -99.200 -91.000 TYR 443 0.840 21.117 18.915 33.137 -99.200 -91.000 HIS 446 0.900 20.432 8.496 39.185 -99.200 -91.000 HIS 448 0.900 15.839 5.468 38.299 -99.200 -91.000 HIS 452 0.900 23.657 -0.949 43.672 -99.200 -91.000 PHE 461 1.000 25.725 15.737 33.560 -99.200 -91.000