============================================================================= 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 ============================================================================= 1v7hC1 PRO 1 HA 0.00 -0.03 0.04 -0.51 4.44 3.95 1v7hC1 PRO 1 HB2 0.00 0.05 0.01 -0.04 2.28 2.29 1v7hC1 PRO 1 HB3 0.00 -0.04 0.01 -0.04 2.02 1.95 1v7hC1 PRO 1 HG2 0.00 0.03 -0.03 -0.04 2.03 1.99 1v7hC1 PRO 1 HG3 0.00 -0.04 -0.01 -0.04 2.03 1.95 1v7hC1 PRO 1 HD2 0.00 -0.00 0.02 -0.04 3.68 3.65 1v7hC1 PRO 1 HD3 0.00 -0.04 0.01 -0.04 3.65 3.58 1v7hC1 GLY 3 HA2 0.00 -0.07 0.12 -0.51 4.01 3.55 1v7hC1 GLY 3 HA3 0.00 -0.03 0.28 -0.51 4.01 3.75 1v7hC1 PRO 4 HA 0.00 0.12 0.39 -0.51 4.44 4.44 1v7hC1 PRO 4 HB2 0.00 0.05 0.06 -0.04 2.28 2.35 1v7hC1 PRO 4 HB3 0.00 -0.01 0.04 -0.04 2.02 2.01 1v7hC1 PRO 4 HG2 0.00 0.03 0.02 -0.04 2.03 2.05 1v7hC1 PRO 4 HG3 0.00 -0.01 0.03 -0.04 2.03 2.01 1v7hC1 PRO 4 HD2 0.00 0.09 0.15 -0.04 3.68 3.88 1v7hC1 PRO 4 HD3 0.00 0.09 0.10 -0.04 3.65 3.80 1v7hC1 GLY 6 HA2 0.00 -0.05 0.01 -0.51 4.01 3.46 1v7hC1 GLY 6 HA3 0.00 -0.04 0.29 -0.51 4.01 3.75 1v7hC1 PRO 7 HA 0.00 0.13 0.32 -0.51 4.44 4.38 1v7hC1 PRO 7 HB2 0.00 0.00 0.07 -0.04 2.28 2.31 1v7hC1 PRO 7 HB3 0.00 0.01 0.06 -0.04 2.02 2.04 1v7hC1 PRO 7 HG2 0.00 0.01 0.04 -0.04 2.03 2.05 1v7hC1 PRO 7 HG3 0.00 0.04 0.01 -0.04 2.03 2.03 1v7hC1 PRO 7 HD2 0.00 0.09 0.12 -0.04 3.68 3.84 1v7hC1 PRO 7 HD3 0.00 0.14 0.10 -0.04 3.65 3.85