============================================================================= 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 ============================================================================= 3dw8H1 ARG 402 HA 0.00 0.01 0.37 -0.75 4.34 3.96 3dw8H1 ARG 402 HB2 0.00 -0.01 0.04 -0.04 1.90 1.88 3dw8H1 ARG 402 HB3 0.00 0.01 0.05 -0.04 1.80 1.81 3dw8H1 ARG 402 HG2 0.00 0.01 -0.03 -0.04 1.67 1.61 3dw8H1 ARG 402 HG3 0.00 -0.01 0.01 -0.04 1.67 1.63 3dw8H1 ARG 402 HD2 0.00 -0.01 -0.00 -0.04 3.22 3.17 3dw8H1 ARG 402 HD3 0.00 -0.01 0.01 -0.04 3.22 3.18 3dw8H1 LEU 407 HA 0.00 -0.01 0.02 -0.75 4.35 3.60 3dw8H1 LEU 407 HB2 0.00 0.00 0.02 -0.04 1.64 1.63 3dw8H1 LEU 407 HB3 0.00 -0.01 0.02 -0.04 1.64 1.61 3dw8H1 LEU 407 HG 0.00 0.00 0.01 -0.04 1.64 1.61 3dw8H1 LEU 407 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 3dw8H1 LEU 407 HD23 0.00 -0.00 0.01 -0.04 0.89 0.85