============================================================================= 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 ============================================================================= 2h6iP1 CYS 2006 HA 0.00 -0.03 0.15 -0.75 4.58 3.95 2h6iP1 CYS 2006 HB2 0.00 -0.02 0.10 -0.04 2.97 3.01 2h6iP1 CYS 2006 HB3 0.00 -0.02 0.06 -0.04 2.97 2.97 2h6iP1 VAL 2007 H 0.00 0.12 0.08 -0.55 8.24 7.89 2h6iP1 VAL 2007 HA 0.00 0.17 0.98 -0.75 4.13 4.53 2h6iP1 VAL 2007 HB 0.00 0.08 0.03 -0.04 2.12 2.19 2h6iP1 VAL 2007 HG13 0.00 0.01 -0.04 -0.04 0.97 0.90 2h6iP1 VAL 2007 HG23 0.00 -0.01 0.00 -0.04 0.95 0.90 2h6iP1 LEU 2008 H 0.00 0.13 0.16 -0.55 8.37 8.11 2h6iP1 LEU 2008 HA 0.00 0.17 0.61 -0.75 4.35 4.37 2h6iP1 LEU 2008 HB2 0.00 -0.03 0.04 -0.04 1.64 1.60 2h6iP1 LEU 2008 HB3 0.00 -0.01 0.05 -0.04 1.64 1.64 2h6iP1 LEU 2008 HG 0.00 0.05 0.03 -0.04 1.64 1.67 2h6iP1 LEU 2008 HD13 0.00 -0.01 -0.00 -0.04 0.93 0.88 2h6iP1 LEU 2008 HD23 0.00 0.01 -0.13 -0.04 0.89 0.73 2h6iP1 SER 2009 H 0.00 0.12 -0.10 -0.55 8.46 7.93 2h6iP1 SER 2009 HA 0.00 0.23 0.41 -0.75 4.49 4.37 2h6iP1 SER 2009 HB2 0.00 0.02 0.04 -0.04 3.95 3.97 2h6iP1 SER 2009 HB3 0.00 0.11 -0.15 -0.04 3.93 3.85