============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. HIS 24 0.900 10.887 50.363 16.374 -99.200 -91.000 TYR 41 0.840 -1.620 47.328 33.769 -99.200 -91.000 PHE 49 1.000 -4.061 65.592 40.077 -99.200 -91.000 TYR 66 0.840 -1.779 65.381 21.597 -99.200 -91.000 TYR 74 0.840 -6.304 54.104 34.459 -99.200 -91.000