============================================================================= 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 ============================================================================= 1v7hA1 GLY 1 HA2 0.00 -0.10 0.17 -0.51 4.01 3.57 1v7hA1 GLY 1 HA3 0.00 -0.02 0.15 -0.51 4.01 3.63 1v7hA1 PRO 2 HA 0.00 0.09 0.32 -0.51 4.44 4.34 1v7hA1 PRO 2 HB2 0.00 0.06 0.05 -0.04 2.28 2.34 1v7hA1 PRO 2 HB3 0.00 -0.00 0.07 -0.04 2.02 2.05 1v7hA1 PRO 2 HG2 0.00 0.01 0.04 -0.04 2.03 2.04 1v7hA1 PRO 2 HG3 0.00 0.00 0.04 -0.04 2.03 2.03 1v7hA1 PRO 2 HD2 0.00 0.10 0.12 -0.04 3.68 3.86 1v7hA1 PRO 2 HD3 0.00 0.08 0.13 -0.04 3.65 3.81 1v7hA1 GLY 4 HA2 0.00 -0.07 0.04 -0.51 4.01 3.47 1v7hA1 GLY 4 HA3 0.00 -0.03 0.26 -0.51 4.01 3.73 1v7hA1 PRO 5 HA 0.00 0.09 0.38 -0.51 4.44 4.39 1v7hA1 PRO 5 HB2 0.00 0.03 0.02 -0.04 2.28 2.29 1v7hA1 PRO 5 HB3 0.00 0.00 0.07 -0.04 2.02 2.05 1v7hA1 PRO 5 HG2 0.00 -0.00 0.04 -0.04 2.03 2.02 1v7hA1 PRO 5 HG3 0.00 0.01 0.03 -0.04 2.03 2.03 1v7hA1 PRO 5 HD2 0.00 0.09 0.12 -0.04 3.68 3.85 1v7hA1 PRO 5 HD3 0.00 0.11 0.09 -0.04 3.65 3.80 1v7hA1 GLY 7 HA2 0.00 0.03 -0.17 -0.51 4.01 3.35 1v7hA1 GLY 7 HA3 0.00 -0.02 0.12 -0.51 4.01 3.60