============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1evcA48 VAL 2 H 0.00 0.12 0.00 -0.55 8.24 7.81 1evcA48 VAL 2 HA 0.00 0.00 0.00 -0.75 4.13 3.38 1evcA48 VAL 2 HB 0.00 0.00 0.00 -0.04 2.12 2.08 1evcA48 VAL 2 HG13 0.00 0.00 0.00 -0.04 0.97 0.93 1evcA48 VAL 2 HG23 0.00 0.00 0.00 -0.04 0.95 0.91