============================================================================= 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 ============================================================================= 1m63D1 VAL 5 HA 0.00 -0.00 0.04 -0.75 4.13 3.42 1m63D1 VAL 5 HB 0.00 -0.01 0.02 -0.04 2.12 2.09 1m63D1 VAL 5 HG13 0.00 0.00 -0.01 -0.04 0.97 0.92 1m63D1 VAL 5 HG23 0.00 -0.01 0.01 -0.04 0.95 0.91 1m63D1 ALA 7 HA 0.00 0.01 -0.01 -0.75 4.34 3.58 1m63D1 ALA 7 HB3 0.00 -0.00 0.04 -0.04 1.41 1.41