============================================================================= 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 ============================================================================= 2v3zB1 VAL 0 HA 0.00 -0.03 0.22 -0.75 4.13 3.56 2v3zB1 VAL 0 HB 0.00 -0.04 0.05 -0.04 2.12 2.09 2v3zB1 VAL 0 HG13 0.00 -0.01 0.03 -0.04 0.97 0.94 2v3zB1 VAL 0 HG23 0.00 0.02 -0.08 -0.04 0.95 0.85 2v3zB1 PRO 1 HA 0.00 -0.04 0.29 -0.51 4.44 4.18 2v3zB1 PRO 1 HB2 0.00 0.03 0.02 -0.04 2.28 2.29 2v3zB1 PRO 1 HB3 0.00 -0.02 0.06 -0.04 2.02 2.02 2v3zB1 PRO 1 HG2 0.00 0.02 0.07 -0.04 2.03 2.08 2v3zB1 PRO 1 HG3 0.00 0.03 0.07 -0.04 2.03 2.09 2v3zB1 PRO 1 HD2 0.00 0.08 0.14 -0.04 3.68 3.86 2v3zB1 PRO 1 HD3 0.00 0.14 0.17 -0.04 3.65 3.91 2v3zB1 LEU 2 H 0.00 0.09 0.10 -0.55 8.37 8.01 2v3zB1 LEU 2 HA 0.00 0.21 0.57 -0.75 4.35 4.37 2v3zB1 LEU 2 HB2 0.00 0.11 0.03 -0.04 1.64 1.74 2v3zB1 LEU 2 HB3 0.00 -0.02 0.11 -0.04 1.64 1.69 2v3zB1 LEU 2 HG 0.00 -0.03 0.05 -0.04 1.64 1.62 2v3zB1 LEU 2 HD13 0.00 0.01 0.04 -0.04 0.93 0.94 2v3zB1 LEU 2 HD23 0.00 -0.00 0.02 -0.04 0.89 0.87