============================================================================= 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 ============================================================================= 2g2lD1 LEU 18 HA 0.00 0.00 0.00 -0.75 4.35 3.60 2g2lD1 LEU 18 HB2 0.00 0.00 0.00 -0.04 1.64 1.60 2g2lD1 LEU 18 HB3 0.00 0.00 0.00 -0.04 1.64 1.60 2g2lD1 LEU 18 HG 0.00 0.00 0.00 -0.04 1.64 1.60 2g2lD1 LEU 18 HD13 0.00 0.00 0.00 -0.04 0.93 0.89 2g2lD1 LEU 18 HD23 0.00 0.00 0.00 -0.04 0.89 0.85