============================================================================= 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 ============================================================================= 1cf0C1 PRO 3 HA 0.00 -0.07 0.21 -0.51 4.44 4.07 1cf0C1 PRO 3 HB2 0.00 0.08 -0.04 -0.04 2.28 2.27 1cf0C1 PRO 3 HB3 0.00 -0.03 0.02 -0.04 2.02 1.97 1cf0C1 PRO 3 HG2 0.00 -0.03 0.02 -0.04 2.03 1.98 1cf0C1 PRO 3 HG3 0.00 -0.04 0.03 -0.04 2.03 1.98 1cf0C1 PRO 3 HD2 0.00 -0.01 0.06 -0.04 3.68 3.69 1cf0C1 PRO 3 HD3 0.00 -0.05 0.03 -0.04 3.65 3.59 1cf0C1 PRO 4 HA 0.00 0.03 0.38 -0.51 4.44 4.34 1cf0C1 PRO 4 HB2 0.00 0.18 0.05 -0.04 2.28 2.47 1cf0C1 PRO 4 HB3 0.00 -0.04 0.15 -0.04 2.02 2.09 1cf0C1 PRO 4 HG2 0.00 0.02 0.06 -0.04 2.03 2.06 1cf0C1 PRO 4 HG3 0.00 -0.01 0.06 -0.04 2.03 2.04 1cf0C1 PRO 4 HD2 0.00 0.13 0.09 -0.04 3.68 3.87 1cf0C1 PRO 4 HD3 0.00 0.05 0.16 -0.04 3.65 3.82 1cf0C1 PRO 5 HA 0.00 0.08 0.43 -0.51 4.44 4.43 1cf0C1 PRO 5 HB2 0.00 0.05 -0.13 -0.04 2.28 2.16 1cf0C1 PRO 5 HB3 0.00 0.01 0.08 -0.04 2.02 2.07 1cf0C1 PRO 5 HG2 0.00 0.00 0.05 -0.04 2.03 2.04 1cf0C1 PRO 5 HG3 0.00 0.01 0.07 -0.04 2.03 2.07 1cf0C1 PRO 5 HD2 0.00 0.09 0.16 -0.04 3.68 3.89 1cf0C1 PRO 5 HD3 0.00 0.06 0.22 -0.04 3.65 3.88 1cf0C1 PRO 6 HA 0.00 0.10 0.42 -0.51 4.44 4.45 1cf0C1 PRO 6 HB2 0.00 0.01 0.08 -0.04 2.28 2.33 1cf0C1 PRO 6 HB3 0.00 0.02 0.07 -0.04 2.02 2.06 1cf0C1 PRO 6 HG2 0.00 -0.02 0.08 -0.04 2.03 2.05 1cf0C1 PRO 6 HG3 0.00 0.04 0.07 -0.04 2.03 2.11 1cf0C1 PRO 6 HD2 0.00 0.06 0.18 -0.04 3.68 3.88 1cf0C1 PRO 6 HD3 0.00 0.11 0.24 -0.04 3.65 3.96 1cf0C1 PRO 7 HA 0.00 0.04 0.41 -0.51 4.44 4.37 1cf0C1 PRO 7 HB2 0.00 0.11 -0.02 -0.04 2.28 2.33 1cf0C1 PRO 7 HB3 0.00 -0.04 0.11 -0.04 2.02 2.05 1cf0C1 PRO 7 HG2 0.00 -0.03 0.06 -0.04 2.03 2.01 1cf0C1 PRO 7 HG3 0.00 0.04 0.07 -0.04 2.03 2.11 1cf0C1 PRO 7 HD2 0.00 0.05 0.17 -0.04 3.68 3.86 1cf0C1 PRO 7 HD3 0.00 0.25 0.28 -0.04 3.65 4.13 1cf0C1 PRO 8 HA 0.00 0.05 0.41 -0.51 4.44 4.40 1cf0C1 PRO 8 HB2 0.00 0.14 0.01 -0.04 2.28 2.39 1cf0C1 PRO 8 HB3 0.00 -0.03 0.15 -0.04 2.02 2.09 1cf0C1 PRO 8 HG2 0.00 -0.01 0.08 -0.04 2.03 2.05 1cf0C1 PRO 8 HG3 0.00 0.01 0.09 -0.04 2.03 2.09 1cf0C1 PRO 8 HD2 0.00 0.08 0.17 -0.04 3.68 3.89 1cf0C1 PRO 8 HD3 0.00 0.10 0.23 -0.04 3.65 3.94 1cf0C1 PRO 9 HA 0.00 0.07 0.39 -0.51 4.44 4.40 1cf0C1 PRO 9 HB2 0.00 0.10 -0.03 -0.04 2.28 2.31 1cf0C1 PRO 9 HB3 0.00 -0.02 0.11 -0.04 2.02 2.07 1cf0C1 PRO 9 HG2 0.00 -0.01 0.07 -0.04 2.03 2.05 1cf0C1 PRO 9 HG3 0.00 0.03 0.07 -0.04 2.03 2.10 1cf0C1 PRO 9 HD2 0.00 0.08 0.18 -0.04 3.68 3.90 1cf0C1 PRO 9 HD3 0.00 0.11 0.24 -0.04 3.65 3.95 1cf0C1 PRO 10 HA 0.00 0.14 0.22 -0.51 4.44 4.29 1cf0C1 PRO 10 HB2 0.00 -0.01 0.07 -0.04 2.28 2.30 1cf0C1 PRO 10 HB3 0.00 0.02 0.06 -0.04 2.02 2.07 1cf0C1 PRO 10 HG2 0.00 0.01 0.06 -0.04 2.03 2.06 1cf0C1 PRO 10 HG3 0.00 0.07 0.04 -0.04 2.03 2.10 1cf0C1 PRO 10 HD2 0.00 0.08 0.13 -0.04 3.68 3.85 1cf0C1 PRO 10 HD3 0.00 0.14 0.20 -0.04 3.65 3.95