============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 -0.598 -9.148 -5.736 -99.200 -91.000 PHE 15 1.000 0.086 0.888 -2.940 -99.200 -91.000 HIS 16 0.900 4.759 -4.244 2.764 -99.200 -91.000 TYR 23 0.840 7.582 -4.602 11.045 -99.200 -91.000 PHE 37 1.000 2.556 5.586 -2.585 -99.200 -91.000 PHE 55 1.000 -0.722 -7.563 -0.770 -99.200 -91.000 TYR 60 0.840 2.980 -8.530 12.752 -99.200 -91.000 PHE 62 1.000 -0.694 1.076 11.655 -99.200 -91.000 HIS 73 0.900 2.090 -19.829 -1.397 -99.200 -91.000 HIS 82 0.900 -2.526 -18.735 12.464 -99.200 -91.000 TYR 86 0.840 -1.462 -13.625 12.656 -99.200 -91.000 HIS 95 0.900 5.655 4.377 15.388 -99.200 -91.000 TYR 96 0.840 2.560 -2.748 14.314 -99.200 -91.000 TYR 99 0.840 -0.435 -4.801 4.267 -99.200 -91.000 PHE 101 1.000 -9.061 0.037 -3.006 -99.200 -91.000 PHE 121 1.000 1.823 17.748 2.694 -99.200 -91.000 TYR 137 0.840 8.520 10.087 -9.138 -99.200 -91.000 TYR 143 0.840 4.895 10.474 3.743 -99.200 -91.000 HIS 146 0.900 -2.004 13.516 11.957 -99.200 -91.000