============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 22 0.840 33.574 28.102 12.613 -99.200 -91.000 TYR 45 0.840 39.727 29.649 20.353 -99.200 -91.000 TYR 46 0.840 40.473 27.251 28.925 -99.200 -91.000 HIS 49 0.900 40.469 13.856 24.555 -99.200 -91.000 TYR 58 0.840 36.170 30.892 30.405 -99.200 -91.000 TYR 81 0.840 38.675 40.639 6.710 -99.200 -91.000 PHE 88 1.000 41.785 45.666 -1.611 -99.200 -91.000 PHE 92 1.000 41.028 46.391 -6.910 -99.200 -91.000 TYR 95 0.840 45.725 51.582 -11.657 -99.200 -91.000 HIS 99 0.900 46.796 53.191 -15.969 -99.200 -91.000