============================================================================= 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 10 0.840 -0.779 -9.196 -5.847 -99.200 -91.000 PHE 14 1.000 -0.091 0.915 -3.008 -99.200 -91.000 HIS 15 0.900 4.634 -4.146 2.652 -99.200 -91.000 TYR 22 0.840 7.466 -4.783 10.940 -99.200 -91.000 PHE 36 1.000 2.440 5.645 -2.545 -99.200 -91.000 PHE 54 1.000 -0.811 -7.582 -0.867 -99.200 -91.000 TYR 59 0.840 2.832 -8.948 12.374 -99.200 -91.000 PHE 61 1.000 -0.413 1.142 11.367 -99.200 -91.000 HIS 72 0.900 2.030 -19.882 -1.269 -99.200 -91.000 HIS 81 0.900 -2.596 -18.373 12.651 -99.200 -91.000 TYR 85 0.840 -2.038 -13.667 12.728 -99.200 -91.000 HIS 94 0.900 5.843 4.256 15.239 -99.200 -91.000 TYR 95 0.840 2.454 -2.801 14.241 -99.200 -91.000 TYR 98 0.840 -0.538 -4.806 4.180 -99.200 -91.000 PHE 100 1.000 -9.180 0.012 -3.037 -99.200 -91.000 PHE 120 1.000 1.934 17.764 2.603 -99.200 -91.000 TYR 136 0.840 8.371 10.070 -9.182 -99.200 -91.000 TYR 142 0.840 4.954 10.500 3.704 -99.200 -91.000 HIS 145 0.900 -1.769 13.603 11.982 -99.200 -91.000