============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 2 0.900 41.511 -5.838 29.028 -99.200 -91.000 PHE 21 1.000 31.781 0.535 27.632 -99.200 -91.000 TYR 26 0.840 33.845 0.172 22.387 -99.200 -91.000 TYR 77 0.840 40.634 -10.609 37.566 -99.200 -91.000 PHE 102 1.000 28.463 -26.789 37.976 -99.200 -91.000 TYR 114 0.840 14.885 -29.183 42.922 -99.200 -91.000 PHE 128 1.000 23.671 -24.857 37.318 -99.200 -91.000