============================================================================= 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 ============================================================================= 3g3pD1 LEU 2 H 0.00 0.10 0.00 -0.55 8.37 7.92 3g3pD1 LEU 2 HA 0.00 0.00 0.00 -0.75 4.35 3.60 3g3pD1 LEU 2 HB2 0.00 0.00 0.00 -0.04 1.64 1.60 3g3pD1 LEU 2 HB3 0.00 0.00 0.00 -0.04 1.64 1.60 3g3pD1 LEU 2 HG 0.00 0.00 0.00 -0.04 1.64 1.60 3g3pD1 LEU 2 HD13 0.00 0.00 0.00 -0.04 0.93 0.89 3g3pD1 LEU 2 HD23 0.00 0.00 0.00 -0.04 0.89 0.85