============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. HIS 15 0.900 1.860 15.198 49.349 -99.200 -91.000 HIS 16 0.900 4.525 9.837 54.777 -99.200 -91.000 TYR 40 0.840 11.720 16.023 33.917 -99.200 -91.000 TYR 44 0.840 15.741 13.931 32.641 -99.200 -91.000