============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 39 0.900 3.909 24.664 22.128 -99.200 -91.000 HIS 42 0.900 -4.746 18.450 17.676 -99.200 -91.000 PHE 44 1.000 -0.719 12.793 19.650 -99.200 -91.000 TYR 49 0.840 3.722 8.402 20.569 -99.200 -91.000 TYR 53 0.840 3.795 4.196 16.636 -99.200 -91.000 PHE 54 1.000 2.706 -0.725 19.150 -99.200 -91.000 HIS 61 0.900 -2.041 -6.885 14.648 -99.200 -91.000 PHE 69 1.000 6.695 2.926 20.621 -99.200 -91.000 HIS 71 0.900 12.410 -1.190 29.070 -99.200 -91.000 TYR 82 0.840 2.988 20.808 23.290 -99.200 -91.000 PHE 83 1.000 3.681 14.186 17.663 -99.200 -91.000 TYR 85 0.840 0.362 13.363 14.054 -99.200 -91.000 PHE 89 1.000 -4.690 16.079 9.830 -99.200 -91.000 TYR 93 0.840 -4.352 12.711 5.406 -99.200 -91.000 TYR 99 0.840 7.623 -0.674 7.367 -99.200 -91.000 TRP 130 1.040 15.150 42.974 16.302 -99.200 -91.000 TRP6 130 1.020 14.481 43.313 14.047 -99.200 -91.000 HIS 139 0.900 21.286 38.980 4.948 -99.200 -91.000 PHE 142 1.000 10.996 27.704 7.076 -99.200 -91.000 PHE 155 1.000 7.587 32.676 -3.081 -99.200 -91.000 HIS 164 0.900 12.022 45.736 0.792 -99.200 -91.000 TYR 170 0.840 21.229 33.247 2.958 -99.200 -91.000 TYR 173 0.840 13.521 22.634 1.362 -99.200 -91.000 TYR 177 0.840 23.669 17.992 9.845 -99.200 -91.000 TYR 185 0.840 23.381 27.981 5.821 -99.200 -91.000 HIS 217 0.900 12.893 0.688 9.344 -99.200 -91.000 PHE 227 1.000 13.207 11.862 15.097 -99.200 -91.000 PHE 249 1.000 22.770 33.011 24.991 -99.200 -91.000 HIS 267 0.900 20.943 4.785 6.731 -99.200 -91.000 HIS 269 0.900 18.292 6.518 2.742 -99.200 -91.000 PHE 277 1.000 15.424 7.739 12.776 -99.200 -91.000 TYR 278 0.840 16.346 2.696 6.731 -99.200 -91.000 PHE 299 1.000 36.534 26.517 23.840 -99.200 -91.000 TRP 310 1.040 35.792 19.461 28.158 -99.200 -91.000 TRP6 310 1.020 36.236 21.058 26.447 -99.200 -91.000 PHE 314 1.000 26.807 29.820 27.549 -99.200 -91.000 TRP 315 1.040 28.568 22.423 28.632 -99.200 -91.000 TRP6 315 1.020 30.045 21.767 26.897 -99.200 -91.000 HIS 318 0.900 18.964 17.694 18.415 -99.200 -91.000 PHE 339 1.000 25.164 17.975 28.331 -99.200 -91.000 TRP 347 1.040 9.129 15.963 31.873 -99.200 -91.000 TRP6 347 1.020 9.088 13.597 32.139 -99.200 -91.000 TYR 349 0.840 8.276 22.721 24.976 -99.200 -91.000 TYR 359 0.840 10.513 24.922 21.587 -99.200 -91.000 TYR 376 0.840 20.866 38.064 28.565 -99.200 -91.000 TRP 382 1.040 34.401 32.792 26.726 -99.200 -91.000 TRP6 382 1.020 34.456 33.250 24.395 -99.200 -91.000 PHE 388 1.000 25.402 16.222 19.766 -99.200 -91.000 HIS 400 0.900 31.404 36.915 25.706 -99.200 -91.000