============================================================================= 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 ============================================================================= 2jt9A19 PRO 2 HA 0.00 0.01 0.11 -0.51 4.44 4.05 2jt9A19 PRO 2 HB2 0.00 -0.08 0.08 -0.04 2.28 2.24 2jt9A19 PRO 2 HB3 0.00 0.03 0.04 -0.04 2.02 2.04 2jt9A19 PRO 2 HG2 0.00 -0.04 -0.04 -0.04 2.03 1.90 2jt9A19 PRO 2 HG3 0.00 0.01 -0.00 -0.04 2.03 2.00 2jt9A19 PRO 2 HD2 0.00 -0.03 -0.13 -0.04 3.68 3.48 2jt9A19 PRO 2 HD3 0.00 -0.01 -0.01 -0.04 3.65 3.59 2jt9A19 PRO 3 HA 0.00 0.01 0.44 -0.51 4.44 4.39 2jt9A19 PRO 3 HB2 0.00 0.04 -0.01 -0.04 2.28 2.27 2jt9A19 PRO 3 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 2jt9A19 PRO 3 HG2 0.00 0.04 0.10 -0.04 2.03 2.12 2jt9A19 PRO 3 HG3 0.00 0.04 0.07 -0.04 2.03 2.11 2jt9A19 PRO 3 HD2 0.00 0.09 0.16 -0.04 3.68 3.89 2jt9A19 PRO 3 HD3 0.00 0.15 0.13 -0.04 3.65 3.89 2jt9A19 ILE 4 H 0.00 0.17 0.21 -0.55 8.25 8.08 2jt9A19 ILE 4 HA 0.00 0.01 0.36 -0.75 4.18 3.79 2jt9A19 ILE 4 HB 0.00 -0.03 0.02 -0.04 1.89 1.85 2jt9A19 ILE 4 HG12 0.00 0.02 0.17 -0.04 1.49 1.64 2jt9A19 ILE 4 HG13 0.00 -0.03 0.13 -0.04 1.21 1.27 2jt9A19 ILE 4 HG23 0.00 0.01 -0.24 -0.04 0.93 0.66 2jt9A19 ILE 4 HD13 0.00 0.00 0.04 -0.04 0.88 0.87 2jt9A19 LEU 5 H 0.00 0.27 -0.96 -0.55 8.37 7.13 2jt9A19 LEU 5 HA 0.00 0.20 0.68 -0.75 4.35 4.47 2jt9A19 LEU 5 HB2 0.00 -0.06 -0.25 -0.04 1.64 1.28 2jt9A19 LEU 5 HB3 0.00 -0.03 0.10 -0.04 1.64 1.68 2jt9A19 LEU 5 HG 0.00 0.04 -0.22 -0.04 1.64 1.41 2jt9A19 LEU 5 HD13 0.00 -0.02 -0.01 -0.04 0.93 0.86 2jt9A19 LEU 5 HD23 0.00 -0.02 -0.24 -0.04 0.89 0.59 2jt9A19 LEU 6 H 0.00 0.12 -0.67 -0.55 8.37 7.27 2jt9A19 LEU 6 HA 0.00 0.03 0.10 -0.75 4.35 3.72 2jt9A19 LEU 6 HB2 0.00 0.21 -0.42 -0.04 1.64 1.39 2jt9A19 LEU 6 HB3 0.00 -0.00 0.10 -0.04 1.64 1.69 2jt9A19 LEU 6 HG 0.00 0.01 -0.06 -0.04 1.64 1.55 2jt9A19 LEU 6 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 2jt9A19 LEU 6 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.71