============================================================================= 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 31 0.900 -2.112 7.913 9.244 -99.200 -91.000 HIS 37 0.900 6.476 15.406 2.719 -99.200 -91.000