============================================================================= 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 ============================================================================= 3db3B1 ARG 8 HA 0.00 -0.01 0.05 -0.75 4.34 3.63 3db3B1 ARG 8 HB2 0.00 -0.02 0.02 -0.04 1.90 1.86 3db3B1 ARG 8 HB3 0.00 0.01 0.03 -0.04 1.80 1.80 3db3B1 ARG 8 HG2 0.00 0.00 0.02 -0.04 1.67 1.65 3db3B1 ARG 8 HG3 0.00 -0.01 0.02 -0.04 1.67 1.64 3db3B1 ARG 8 HD2 0.00 0.00 0.01 -0.04 3.22 3.19 3db3B1 ARG 8 HD3 0.00 -0.01 0.01 -0.04 3.22 3.17 3db3B1 SER 10 HA 0.00 0.07 -0.03 -0.75 4.49 3.77 3db3B1 SER 10 HB2 0.00 -0.02 0.06 -0.04 3.95 3.94 3db3B1 SER 10 HB3 0.00 0.00 0.11 -0.04 3.93 4.00