============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. PHE 11 1.000 -21.704 7.377 12.532 -99.200 -91.000 PHE 20 1.000 -26.763 22.352 17.910 -99.200 -91.000 HIS 32 0.900 -24.186 18.714 3.689 -99.200 -91.000 PHE 34 1.000 -23.684 11.924 10.398 -99.200 -91.000 TYR 54 0.840 -24.413 19.502 14.421 -99.200 -91.000 PHE 58 1.000 -15.058 25.507 3.882 -99.200 -91.000 TYR 69 0.840 -23.635 3.669 23.399 -99.200 -91.000 TRP 77 1.040 -24.761 0.637 15.063 -99.200 -91.000 TRP6 77 1.020 -22.439 0.692 15.456 -99.200 -91.000 TYR 107 0.840 -7.579 7.846 27.766 -99.200 -91.000 TYR 113 0.840 -8.785 24.914 14.051 -99.200 -91.000 TYR 119 0.840 -5.717 22.715 5.080 -99.200 -91.000 TRP 120 1.040 -4.532 21.736 9.441 -99.200 -91.000 TRP6 120 1.020 -2.703 21.272 10.862 -99.200 -91.000 HIS 123 0.900 -6.025 28.852 10.836 -99.200 -91.000 TRP 129 1.040 -4.673 24.380 17.468 -99.200 -91.000 TRP6 129 1.020 -2.976 24.422 19.074 -99.200 -91.000 TRP 153 1.040 -18.774 10.484 25.262 -99.200 -91.000 TRP6 153 1.020 -16.668 9.994 24.294 -99.200 -91.000 PHE 162 1.000 0.415 18.821 29.376 -99.200 -91.000 PHE 163 1.000 2.243 23.085 19.600 -99.200 -91.000 HIS 171 0.900 10.315 30.885 16.866 -99.200 -91.000 PHE 175 1.000 -0.542 19.315 19.612 -99.200 -91.000 TYR 192 0.840 -4.176 10.725 20.945 -99.200 -91.000 PHE 204 1.000 6.910 19.904 12.538 -99.200 -91.000 PHE 208 1.000 0.386 15.610 22.706 -99.200 -91.000 TYR 209 0.840 6.274 10.234 25.120 -99.200 -91.000 TRP 217 1.040 -1.365 14.310 27.070 -99.200 -91.000 TRP6 217 1.020 -1.640 12.453 25.688 -99.200 -91.000 PHE 219 1.000 4.358 17.749 20.994 -99.200 -91.000 PHE 226 1.000 10.310 21.025 8.092 -99.200 -91.000 TRP 236 1.040 6.343 -5.454 13.022 -99.200 -91.000 TRP6 236 1.020 4.500 -6.827 12.552 -99.200 -91.000 TYR 248 0.840 -0.777 17.879 -4.385 -99.200 -91.000 TYR 254 0.840 9.749 9.291 8.428 -99.200 -91.000 TRP 263 1.040 10.449 10.520 14.549 -99.200 -91.000 TRP6 263 1.020 8.370 10.718 13.456 -99.200 -91.000 TRP 274 1.040 0.493 0.787 0.678 -99.200 -91.000 TRP6 274 1.020 1.446 0.238 2.776 -99.200 -91.000 PHE 289 1.000 0.622 0.989 9.415 -99.200 -91.000 PHE 302 1.000 -1.856 2.036 4.115 -99.200 -91.000 HIS 304 0.900 -4.000 6.480 0.370 -99.200 -91.000 PHE 308 1.000 -7.904 3.380 -10.389 -99.200 -91.000 TRP 312 1.040 -8.107 17.085 -1.355 -99.200 -91.000 TRP6 312 1.020 -7.716 18.923 -2.752 -99.200 -91.000 TRP 320 1.040 -3.029 -1.790 0.150 -99.200 -91.000 TRP6 320 1.020 -1.862 -2.690 -1.683 -99.200 -91.000 TYR 328 0.840 -3.345 -10.927 -0.904 -99.200 -91.000 TYR 342 0.840 -9.955 11.730 5.876 -99.200 -91.000 TYR 347 0.840 -9.357 -10.174 13.795 -99.200 -91.000 TYR 353 0.840 -17.330 -6.199 12.819 -99.200 -91.000 HIS 356 0.900 -16.115 2.649 2.934 -99.200 -91.000 TYR 364 0.840 -17.327 14.139 2.105 -99.200 -91.000 PHE 368 1.000 -20.586 -1.884 11.329 -99.200 -91.000 TRP 385 1.