============================================================================= 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 ============================================================================= 1fzcG1 GLY 1 HA2 0.00 -0.02 0.18 -0.51 4.01 3.66 1fzcG1 GLY 1 HA3 0.00 -0.08 0.20 -0.51 4.01 3.63 1fzcG1 PRO 2 HA 0.00 0.06 0.46 -0.51 4.44 4.44 1fzcG1 PRO 2 HB2 0.00 -0.02 -0.11 -0.04 2.28 2.11 1fzcG1 PRO 2 HB3 0.00 0.01 0.06 -0.04 2.02 2.05 1fzcG1 PRO 2 HG2 0.00 -0.01 0.00 -0.04 2.03 1.98 1fzcG1 PRO 2 HG3 0.00 0.01 0.05 -0.04 2.03 2.05 1fzcG1 PRO 2 HD2 0.00 0.06 0.18 -0.04 3.68 3.87 1fzcG1 PRO 2 HD3 0.00 0.17 0.14 -0.04 3.65 3.92 1fzcG1 ARG 3 H 0.00 0.13 -0.01 -0.55 8.46 8.03 1fzcG1 ARG 3 HA 0.00 0.27 0.98 -0.75 4.34 4.84 1fzcG1 ARG 3 HB2 0.00 -0.02 0.15 -0.04 1.90 1.98 1fzcG1 ARG 3 HB3 0.00 -0.03 0.19 -0.04 1.80 1.91 1fzcG1 ARG 3 HG2 0.00 0.05 -0.08 -0.04 1.67 1.60 1fzcG1 ARG 3 HG3 0.00 -0.04 0.01 -0.04 1.67 1.60 1fzcG1 ARG 3 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.12 1fzcG1 ARG 3 HD3 0.00 -0.04 0.04 -0.04 3.22 3.18 1fzcG1 PRO 4 HA 0.00 0.09 0.31 -0.51 4.44 4.33 1fzcG1 PRO 4 HB2 0.00 0.03 0.04 -0.04 2.28 2.30 1fzcG1 PRO 4 HB3 0.00 0.02 0.03 -0.04 2.02 2.02 1fzcG1 PRO 4 HG2 0.00 0.03 -0.02 -0.04 2.03 2.00 1fzcG1 PRO 4 HG3 0.00 0.04 -0.01 -0.04 2.03 2.02 1fzcG1 PRO 4 HD2 0.00 0.31 -0.11 -0.04 3.68 3.84 1fzcG1 PRO 4 HD3 0.00 0.06 -0.28 -0.04 3.65 3.39