============================================================================= 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 ============================================================================= 2jt9A11 PRO 2 HA 0.00 0.01 0.06 -0.51 4.44 4.00 2jt9A11 PRO 2 HB2 0.00 -0.10 0.09 -0.04 2.28 2.23 2jt9A11 PRO 2 HB3 0.00 0.02 0.02 -0.04 2.02 2.01 2jt9A11 PRO 2 HG2 0.00 -0.05 -0.04 -0.04 2.03 1.90 2jt9A11 PRO 2 HG3 0.00 0.00 -0.01 -0.04 2.03 1.99 2jt9A11 PRO 2 HD2 0.00 -0.03 -0.14 -0.04 3.68 3.47 2jt9A11 PRO 2 HD3 0.00 -0.01 -0.02 -0.04 3.65 3.58 2jt9A11 PRO 3 HA 0.00 -0.03 0.42 -0.51 4.44 4.32 2jt9A11 PRO 3 HB2 0.00 0.05 -0.04 -0.04 2.28 2.25 2jt9A11 PRO 3 HB3 0.00 0.01 0.08 -0.04 2.02 2.07 2jt9A11 PRO 3 HG2 0.00 0.06 0.08 -0.04 2.03 2.13 2jt9A11 PRO 3 HG3 0.00 0.03 0.06 -0.04 2.03 2.08 2jt9A11 PRO 3 HD2 0.00 0.09 0.13 -0.04 3.68 3.86 2jt9A11 PRO 3 HD3 0.00 0.14 0.11 -0.04 3.65 3.86 2jt9A11 ILE 4 H 0.00 0.09 0.17 -0.55 8.25 7.96 2jt9A11 ILE 4 HA 0.00 -0.08 0.40 -0.75 4.18 3.75 2jt9A11 ILE 4 HB 0.00 -0.03 0.08 -0.04 1.89 1.90 2jt9A11 ILE 4 HG12 0.00 -0.04 0.01 -0.04 1.49 1.42 2jt9A11 ILE 4 HG13 0.00 -0.00 0.01 -0.04 1.21 1.18 2jt9A11 ILE 4 HG23 0.00 0.05 -0.17 -0.04 0.93 0.77 2jt9A11 ILE 4 HD13 0.00 0.01 -0.17 -0.04 0.88 0.68 2jt9A11 LEU 5 H 0.00 -0.26 0.04 -0.55 8.37 7.60 2jt9A11 LEU 5 HA 0.00 0.13 0.50 -0.75 4.35 4.23 2jt9A11 LEU 5 HB2 0.00 -0.03 -0.01 -0.04 1.64 1.56 2jt9A11 LEU 5 HB3 0.00 0.21 -0.07 -0.04 1.64 1.74 2jt9A11 LEU 5 HG 0.00 0.14 -1.13 -0.04 1.64 0.61 2jt9A11 LEU 5 HD13 0.00 -0.09 -0.24 -0.04 0.93 0.56 2jt9A11 LEU 5 HD23 0.00 -0.01 -0.15 -0.04 0.89 0.69 2jt9A11 LEU 6 H 0.00 -0.22 0.07 -0.55 8.37 7.67 2jt9A11 LEU 6 HA 0.00 0.03 0.20 -0.75 4.35 3.82 2jt9A11 LEU 6 HB2 0.00 0.04 -0.47 -0.04 1.64 1.17 2jt9A11 LEU 6 HB3 0.00 0.07 0.25 -0.04 1.64 1.92 2jt9A11 LEU 6 HG 0.00 -0.03 0.03 -0.04 1.64 1.60 2jt9A11 LEU 6 HD13 0.00 -0.00 -0.06 -0.04 0.93 0.83 2jt9A11 LEU 6 HD23 0.00 0.00 0.03 -0.04 0.89 0.88