============================================================================= 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 ============================================================================= 2oyiG1 GLY 1 HA2 0.00 -0.01 0.14 -0.51 4.01 3.63 2oyiG1 GLY 1 HA3 0.00 -0.07 0.16 -0.51 4.01 3.59 2oyiG1 PRO 2 HA 0.00 0.06 0.70 -0.51 4.44 4.69 2oyiG1 PRO 2 HB2 0.00 0.06 0.04 -0.04 2.28 2.34 2oyiG1 PRO 2 HB3 0.00 -0.00 0.07 -0.04 2.02 2.04 2oyiG1 PRO 2 HG2 0.00 -0.00 0.16 -0.04 2.03 2.15 2oyiG1 PRO 2 HG3 0.00 -0.00 0.07 -0.04 2.03 2.06 2oyiG1 PRO 2 HD2 0.00 0.04 0.14 -0.04 3.68 3.82 2oyiG1 PRO 2 HD3 0.00 0.16 0.09 -0.04 3.65 3.86 2oyiG1 ARG 3 H 0.00 0.15 0.15 -0.55 8.46 8.21 2oyiG1 ARG 3 HA 0.00 0.08 0.42 -0.75 4.34 4.09 2oyiG1 ARG 3 HB2 0.00 0.04 0.12 -0.04 1.90 2.02 2oyiG1 ARG 3 HB3 0.00 -0.04 -0.03 -0.04 1.80 1.69 2oyiG1 ARG 3 HG2 0.00 -0.04 0.01 -0.04 1.67 1.59 2oyiG1 ARG 3 HG3 0.00 0.03 0.08 -0.04 1.67 1.74 2oyiG1 ARG 3 HD2 0.00 -0.01 0.00 -0.04 3.22 3.17 2oyiG1 ARG 3 HD3 0.00 -0.03 -0.01 -0.04 3.22 3.15 2oyiG1 PRO 4 HA 0.00 0.12 0.18 -0.51 4.44 4.23 2oyiG1 PRO 4 HB2 0.00 0.01 0.07 -0.04 2.28 2.32 2oyiG1 PRO 4 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 2oyiG1 PRO 4 HG2 0.00 0.02 0.02 -0.04 2.03 2.03 2oyiG1 PRO 4 HG3 0.00 0.03 0.06 -0.04 2.03 2.07 2oyiG1 PRO 4 HD2 0.00 0.05 0.16 -0.04 3.68 3.86 2oyiG1 PRO 4 HD3 0.00 0.15 0.16 -0.04 3.65 3.92