============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 1 1.000 6.884 34.501 -32.630 -99.200 -91.000 TYR 10 0.840 11.502 13.542 -32.696 -99.200 -91.000 TRP 29 1.040 -4.739 17.552 -12.242 -99.200 -91.000 TRP6 29 1.020 -4.939 16.041 -10.428 -99.200 -91.000 TRP 35 1.040 5.840 7.726 -13.576 -99.200 -91.000 TRP6 35 1.020 6.516 6.639 -11.541 -99.200 -91.000 PHE 39 1.000 12.057 13.041 -19.180 -99.200 -91.000 PHE 48 1.000 10.602 24.068 -20.843 -99.200 -91.000 PHE 60 1.000 14.165 29.539 2.644 -99.200 -91.000 TYR 65 0.840 18.975 20.852 8.365 -99.200 -91.000 PHE 68 1.000 22.978 17.764 5.468 -99.200 -91.000 PHE 72 1.000 20.831 21.748 -3.232 -99.200 -91.000 HIS 79 0.900 23.867 14.240 -11.716 -99.200 -91.000 PHE 80 1.000 17.783 22.635 -10.938 -99.200 -91.000 HIS 84 0.900 17.660 24.237 -20.589 -99.200 -91.000 HIS 87 0.900 20.194 34.478 -9.679 -99.200 -91.000 TYR 88 0.840 22.970 26.501 -8.333 -99.200 -91.000 TYR 89 0.840 17.440 33.565 -6.696 -99.200 -91.000 PHE 91 1.000 16.120 32.943 0.048 -99.200 -91.000 PHE 119 1.000 12.903 34.374 -5.489 -99.200 -91.000 TYR 125 0.840 9.079 27.681 -16.005 -99.200 -91.000 PHE 135 1.000 19.733 18.355 -7.829 -99.200 -91.000 HIS 138 0.900 17.782 15.397 -17.320 -99.200 -91.000 PHE 148 1.000 8.075 21.459 -10.028 -99.200 -91.000 HIS 152 0.900 6.730 11.282 1.885 -99.200 -91.000 PHE 155 1.000 2.898 8.527 3.357 -99.200 -91.000 TYR 156 0.840 6.009 4.496 -4.875 -99.200 -91.000 PHE 163 1.000 -2.301 9.611 -0.229 -99.200 -91.000 TYR 165 0.840 -3.978 14.226 2.079 -99.200 -91.000 TYR 174 0.840 -11.080 18.101 7.772 -99.200 -91.000 PHE 182 1.000 -1.537 11.729 -7.662 -99.200 -91.000 TYR 183 0.840 1.577 13.378 2.601 -99.200 -91.000 TYR 184 0.840 0.606 16.550 -4.823 -99.200 -91.000 PHE 188 1.000 12.328 18.624 -7.139 -99.200 -91.000 PHE 189 1.000 7.343 24.297 -2.796 -99.200 -91.000 HIS 204 0.900 3.584 33.907 6.487 -99.200 -91.000 TRP 219 1.040 3.679 14.580 8.872 -99.200 -91.000 TRP6 219 1.020 5.826 14.291 9.862 -99.200 -91.000 HIS 220 0.900 5.429 20.789 11.882 -99.200 -91.000 HIS 224 0.900 -0.965 24.735 6.813 -99.200 -91.000 TYR 228 0.840 -1.957 26.801 -3.542 -99.200 -91.000 HIS 232 0.900 -5.462 26.733 -5.070 -99.200 -91.000 TYR 242 0.840 11.954 14.090 -11.644 -99.200 -91.000 TRP 244 1.040 14.159 5.895 -3.783 -99.200 -91.000 TRP6 244 1.020 11.843 5.401 -3.851 -99.200 -91.000 TRP 251 1.040 16.930 1.734 -8.432 -99.200 -91.000 TRP6 251 1.020 19.141 2.368 -9.055 -99.200 -91.000 PHE 260 1.000 16.842 17.067 -4.606 -99.200 -91.000