============================================================================= 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 ============================================================================= 1fjmN1 ARG 2 HA 0.00 0.02 0.01 -0.75 4.34 3.62 1fjmN1 ARG 2 HB2 0.00 -0.01 0.01 -0.04 1.90 1.87 1fjmN1 ARG 2 HB3 0.00 -0.01 0.01 -0.04 1.80 1.76 1fjmN1 ARG 2 HG2 0.00 -0.01 -0.02 -0.04 1.67 1.60 1fjmN1 ARG 2 HG3 0.00 0.02 -0.05 -0.04 1.67 1.60 1fjmN1 ARG 2 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 1fjmN1 ARG 2 HD3 0.00 -0.00 -0.01 -0.04 3.22 3.16 1fjmN1 LEU 7 HA 0.00 -0.02 0.03 -0.75 4.35 3.60 1fjmN1 LEU 7 HB2 0.00 0.02 -0.04 -0.04 1.64 1.57 1fjmN1 LEU 7 HB3 0.00 -0.01 -0.01 -0.04 1.64 1.57 1fjmN1 LEU 7 HG 0.00 0.00 0.03 -0.04 1.64 1.63 1fjmN1 LEU 7 HD13 0.00 -0.00 -0.00 -0.04 0.93 0.88 1fjmN1 LEU 7 HD23 0.00 -0.00 0.01 -0.04 0.89 0.85