============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 23 0.900 -53.114 77.028 13.568 -99.200 -91.000 HIS 26 0.900 -48.484 75.702 7.208 -99.200 -91.000 TYR 28 0.840 -48.918 83.787 14.139 -99.200 -91.000 HIS 32 0.900 -46.167 88.794 4.824 -99.200 -91.000 TYR 33 0.840 -48.591 84.755 1.856 -99.200 -91.000 TYR 40 0.840 -53.458 99.035 6.218 -99.200 -91.000 HIS 57 0.900 -40.597 79.874 18.713 -99.200 -91.000 PHE 61 1.000 -41.083 73.445 20.388 -99.200 -91.000 TYR 90 0.840 -52.876 92.751 13.952 -99.200 -91.000 TYR 104 0.840 -45.384 75.974 23.034 -99.200 -91.000 PHE 107 1.000 -47.436 70.796 25.279 -99.200 -91.000 PHE 123 1.000 -41.842 72.540 25.442 -99.200 -91.000 HIS 133 0.900 -43.685 85.302 18.674 -99.200 -91.000 TYR 136 0.840 -46.597 93.296 16.475 -99.200 -91.000 TYR 137 0.840 -49.474 88.459 16.820 -99.200 -91.000 HIS 143 0.900 -51.360 101.019 19.596 -99.200 -91.000 TYR 151 0.840 -52.082 101.864 14.731 -99.200 -91.000 PHE 169 1.000 -28.510 74.108 -4.359 -99.200 -91.000