============================================================================= 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 ============================================================================= 1dy8E1 ILE 402 HA 0.00 -0.13 0.22 -0.75 4.18 3.52 1dy8E1 ILE 402 HB 0.00 -0.02 0.04 -0.04 1.89 1.87 1dy8E1 ILE 402 HG12 0.00 0.05 -0.17 -0.04 1.49 1.33 1dy8E1 ILE 402 HG13 0.00 -0.03 -0.04 -0.04 1.21 1.10 1dy8E1 ILE 402 HG23 0.00 -0.01 0.03 -0.04 0.93 0.91 1dy8E1 ILE 402 HD13 0.00 -0.00 0.01 -0.04 0.88 0.85 1dy8E1 LEU 403 H 0.00 0.08 0.00 -0.55 8.37 7.91 1dy8E1 LEU 403 HA 0.00 0.10 0.13 -0.75 4.35 3.82 1dy8E1 LEU 403 HB2 0.00 -0.01 0.09 -0.04 1.64 1.68 1dy8E1 LEU 403 HB3 0.00 0.01 0.07 -0.04 1.64 1.68 1dy8E1 LEU 403 HG 0.00 -0.01 0.04 -0.04 1.64 1.63 1dy8E1 LEU 403 HD13 0.00 -0.00 0.02 -0.04 0.93 0.90 1dy8E1 LEU 403 HD23 0.00 0.01 -0.03 -0.04 0.89 0.83