============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. HIS 30 0.900 11.155 0.354 5.866 -99.200 -91.000 HIS 36 0.900 10.582 12.966 2.117 -99.200 -91.000