============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 7 0.840 38.540 15.105 39.429 -99.200 -91.000 PHE 16 1.000 42.033 16.724 35.670 -99.200 -91.000 HIS 19 0.900 48.925 14.541 40.060 -99.200 -91.000 TYR 20 0.840 41.623 10.886 36.796 -99.200 -91.000 PHE 21 1.000 43.094 9.685 32.058 -99.200 -91.000 HIS 24 0.900 43.188 10.615 42.094 -99.200 -91.000 PHE 50 1.000 30.278 19.877 36.299 -99.200 -91.000 TYR 51 0.840 39.480 17.712 31.094 -99.200 -91.000 TYR 55 0.840 30.009 1.567 39.651 -99.200 -91.000 TYR 56 0.840 34.482 1.659 47.208 -99.200 -91.000 HIS 59 0.900 25.379 3.826 51.012 -99.200 -91.000 PHE 79 1.000 44.616 15.797 39.957 -99.200 -91.000