============================================================================= 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 ============================================================================= 1dy9E1 GLU 402 HA 0.00 -0.10 0.18 -0.75 4.29 3.62 1dy9E1 GLU 402 HB2 0.00 -0.03 0.05 -0.04 2.09 2.08 1dy9E1 GLU 402 HB3 0.00 0.02 0.02 -0.04 1.99 1.99 1dy9E1 GLU 402 HG2 0.00 0.06 -0.07 -0.04 2.34 2.29 1dy9E1 GLU 402 HG3 0.00 -0.04 0.02 -0.04 2.34 2.28 1dy9E1 LEU 403 H 0.00 0.04 0.00 -0.55 8.37 7.86 1dy9E1 LEU 403 HA 0.00 0.08 -0.01 -0.75 4.35 3.67 1dy9E1 LEU 403 HB2 0.00 -0.01 0.08 -0.04 1.64 1.67 1dy9E1 LEU 403 HB3 0.00 0.01 0.06 -0.04 1.64 1.68 1dy9E1 LEU 403 HG 0.00 -0.01 0.05 -0.04 1.64 1.65 1dy9E1 LEU 403 HD13 0.00 -0.00 0.02 -0.04 0.93 0.90 1dy9E1 LEU 403 HD23 0.00 0.01 -0.02 -0.04 0.89 0.84