============================================================================= 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 ============================================================================= 2h6fP1 CYS 2006 HA 0.00 -0.07 0.21 -0.75 4.58 3.96 2h6fP1 CYS 2006 HB2 0.00 -0.02 0.08 -0.04 2.97 2.99 2h6fP1 CYS 2006 HB3 0.00 -0.01 -0.09 -0.04 2.97 2.83 2h6fP1 VAL 2007 H 0.00 0.19 0.10 -0.55 8.24 7.98 2h6fP1 VAL 2007 HA 0.00 0.27 1.16 -0.75 4.13 4.81 2h6fP1 VAL 2007 HB 0.00 -0.02 0.09 -0.04 2.12 2.15 2h6fP1 VAL 2007 HG13 0.00 0.02 -0.11 -0.04 0.97 0.84 2h6fP1 VAL 2007 HG23 0.00 -0.01 -0.07 -0.04 0.95 0.83 2h6fP1 LEU 2008 H 0.00 0.14 0.12 -0.55 8.37 8.08 2h6fP1 LEU 2008 HA 0.00 0.18 0.70 -0.75 4.35 4.48 2h6fP1 LEU 2008 HB2 0.00 -0.01 0.02 -0.04 1.64 1.61 2h6fP1 LEU 2008 HB3 0.00 0.01 0.07 -0.04 1.64 1.67 2h6fP1 LEU 2008 HG 0.00 0.01 -0.05 -0.04 1.64 1.56 2h6fP1 LEU 2008 HD13 0.00 0.00 -0.02 -0.04 0.93 0.87 2h6fP1 LEU 2008 HD23 0.00 0.01 -0.12 -0.04 0.89 0.74 2h6fP1 SER 2009 H 0.00 0.18 -0.11 -0.55 8.46 7.98 2h6fP1 SER 2009 HA 0.00 0.19 0.32 -0.75 4.49 4.25 2h6fP1 SER 2009 HB2 0.00 0.02 0.05 -0.04 3.95 3.97 2h6fP1 SER 2009 HB3 0.00 0.16 -0.16 -0.04 3.93 3.89