============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 2 1.000 -8.857 -18.016 -11.459 -99.200 -91.000 PHE 6 1.000 4.038 -4.825 -8.474 -99.200 -91.000 HIS 13 0.900 14.385 13.505 2.889 -99.200 -91.000 PHE 24 1.000 9.846 0.683 -5.025 -99.200 -91.000 TYR 35 0.840 6.698 -4.809 -3.754 -99.200 -91.000 PHE 42 1.000 5.029 -10.337 -9.080 -99.200 -91.000 TYR 50 0.840 2.970 -11.597 -13.881 -99.200 -91.000 TYR 51 0.840 5.690 -2.645 -19.045 -99.200 -91.000 PHE 52 1.000 7.252 -7.727 -13.065 -99.200 -91.000 TYR 54 0.840 13.167 1.517 -12.527 -99.200 -91.000 HIS 55 0.900 8.015 5.775 -14.828 -99.200 -91.000 HIS 58 0.900 18.365 9.956 -10.162 -99.200 -91.000 TYR 67 0.840 19.606 -8.612 -8.885 -99.200 -91.000 PHE 76 1.000 16.928 0.079 -18.017 -99.200 -91.000 HIS 79 0.900 26.295 8.701 -13.572 -99.200 -91.000 TRP 102 1.040 15.464 -8.443 -5.748 -99.200 -91.000 TRP6 102 1.020 15.606 -10.801 -5.992 -99.200 -91.000 TYR 108 0.840 27.410 5.745 -9.288 -99.200 -91.000 TYR 109 0.840 23.867 5.422 -1.440 -99.200 -91.000 PHE 121 1.000 8.784 -3.157 -9.221 -99.200 -91.000 PHE 124 1.000 0.730 -3.456 -16.633 -99.200 -91.000 PHE 127 1.000 -0.435 -11.048 -23.860 -99.200 -91.000