============================================================================= 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 ============================================================================= 3h9qF1 ARG 2 HA 0.00 0.00 0.00 -0.75 4.34 3.59 3h9qF1 ARG 2 HB2 0.00 0.00 0.00 -0.04 1.90 1.86 3h9qF1 ARG 2 HB3 0.00 0.00 0.00 -0.04 1.80 1.76 3h9qF1 ARG 2 HG2 0.00 0.00 0.00 -0.04 1.67 1.63 3h9qF1 ARG 2 HG3 0.00 0.00 0.00 -0.04 1.67 1.63 3h9qF1 ARG 2 HD2 0.00 0.00 0.00 -0.04 3.22 3.18 3h9qF1 ARG 2 HD3 0.00 0.00 0.00 -0.04 3.22 3.18