============================================================================= 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 ============================================================================= 1evaA14 LEU 2 H 0.00 0.09 0.04 -0.55 8.37 7.95 1evaA14 LEU 2 HA 0.00 0.00 0.03 -0.75 4.35 3.62 1evaA14 LEU 2 HB2 0.00 -0.00 0.02 -0.04 1.64 1.62 1evaA14 LEU 2 HB3 0.00 0.00 0.02 -0.04 1.64 1.62 1evaA14 LEU 2 HG 0.00 0.00 0.01 -0.04 1.64 1.61 1evaA14 LEU 2 HD13 0.00 0.00 0.01 -0.04 0.93 0.90 1evaA14 LEU 2 HD23 0.00 0.00 0.01 -0.04 0.89 0.86 1evaA14 ARG 4 H 0.00 0.12 0.00 -0.55 8.46 8.03 1evaA14 ARG 4 HA 0.00 -0.01 0.05 -0.75 4.34 3.62 1evaA14 ARG 4 HB2 0.00 0.01 0.03 -0.04 1.90 1.89 1evaA14 ARG 4 HB3 0.00 0.00 0.02 -0.04 1.80 1.79 1evaA14 ARG 4 HG2 0.00 -0.00 0.01 -0.04 1.67 1.64 1evaA14 ARG 4 HG3 0.00 -0.00 0.01 -0.04 1.67 1.64 1evaA14 ARG 4 HD2 0.00 0.00 0.00 -0.04 3.22 3.19 1evaA14 ARG 4 HD3 0.00 0.00 0.01 -0.04 3.22 3.19