============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 22 1.040 24.395 29.942 -12.897 -99.200 -91.000 TRP6 22 1.020 24.909 27.619 -12.925 -99.200 -91.000 TRP 67 1.040 11.222 22.574 -2.724 -99.200 -91.000 TRP6 67 1.020 10.576 23.034 -4.956 -99.200 -91.000 TRP 82 1.040 15.869 19.916 -13.862 -99.200 -91.000 TRP6 82 1.020 16.321 18.784 -11.860 -99.200 -91.000 PHE 83 1.000 10.616 13.818 -18.444 -99.200 -91.000 TYR 114 0.840 19.124 5.083 -15.382 -99.200 -91.000 PHE 118 1.000 16.172 7.201 -11.786 -99.200 -91.000 TRP 121 1.040 9.057 6.981 -9.933 -99.200 -91.000 TRP6 121 1.020 7.368 5.521 -10.678 -99.200 -91.000 PHE 122 1.000 11.682 9.375 -6.998 -99.200 -91.000 TYR 130 0.840 -1.296 8.112 -2.112 -99.200 -91.000 TRP 159 1.040 34.660 8.405 -11.542 -99.200 -91.000 TRP6 159 1.020 34.664 6.468 -12.924 -99.200 -91.000 PHE 161 1.000 25.753 4.841 -15.492 -99.200 -91.000 PHE 234 1.000 29.844 7.993 -1.429 -99.200 -91.000 PHE 265 1.000 25.482 -12.523 -17.341 -99.200 -91.000 PHE 268 1.000 22.259 -22.046 -12.872 -99.200 -91.000 TYR 285 0.840 33.310 -6.812 -22.586 -99.200 -91.000 TYR 299 0.840 30.996 -17.379 -10.276 -99.200 -91.000 TYR 305 0.840 34.583 -22.037 -19.057 -99.200 -91.000 PHE 308 1.000 29.004 -16.955 -21.704 -99.200 -91.000 HIS 346 0.900 40.958 -6.859 -10.523 -99.200 -91.000 PHE 368 1.000 40.695 5.701 -26.428 -99.200 -91.000 PHE 369 1.000 43.421 -2.646 -20.440 -99.200 -91.000 PHE 389 1.000 33.653 0.894 -11.251 -99.200 -91.000 PHE 396 1.000 35.331 -16.320 -11.314 -99.200 -91.000 PHE 398 1.000 27.717 -22.755 -12.646 -99.200 -91.000 PHE 413 1.000 32.106 -5.162 -2.011 -99.200 -91.000 TYR 418 0.840 23.447 -8.331 -13.934 -99.200 -91.000 PHE 419 1.000 18.433 -16.395 -11.904 -99.200 -91.000 TYR 420 0.840 20.829 -14.339 -19.517 -99.200 -91.000 PHE 424 1.000 7.740 -21.334 -11.868 -99.200 -91.000 TYR 436 0.840 24.851 -10.526 -5.131 -99.200 -91.000 HIS 441 0.900 14.874 -15.893 -14.770 -99.200 -91.000 PHE 453 1.000 18.787 -0.106 -10.339 -99.200 -91.000 TYR 468 0.840 8.900 -0.186 -1.922 -99.200 -91.000 TYR 473 0.840 16.226 11.954 -0.688 -99.200 -91.000 TYR 478 0.840 1.162 7.505 17.007 -99.200 -91.000 TYR 483 0.840 -13.416 10.972 18.936 -99.200 -91.000