============================================================================= 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 ============================================================================= 1yguC1 PRO 2002 HA 0.00 -0.05 0.15 -0.51 4.44 4.03 1yguC1 PRO 2002 HB2 0.00 0.00 -0.05 -0.04 2.28 2.19 1yguC1 PRO 2002 HB3 0.00 -0.02 0.08 -0.04 2.02 2.04 1yguC1 PRO 2002 HG2 0.00 -0.01 0.01 -0.04 2.03 1.99 1yguC1 PRO 2002 HG3 0.00 -0.01 0.03 -0.04 2.03 2.01 1yguC1 PRO 2002 HD2 0.00 -0.00 0.01 -0.04 3.68 3.65 1yguC1 PRO 2002 HD3 0.00 -0.02 0.03 -0.04 3.65 3.62 1yguC1 THR 2003 H 0.00 0.18 0.04 -0.55 8.28 7.95 1yguC1 THR 2003 HA 0.00 0.26 0.74 -0.75 4.39 4.64 1yguC1 THR 2003 HB 0.00 -0.08 -0.13 -0.04 4.32 4.07 1yguC1 THR 2003 HG23 0.00 0.02 -0.31 -0.04 1.22 0.89 1yguC1 SER 2005 HA 0.00 -0.00 0.04 -0.75 4.49 3.77 1yguC1 SER 2005 HB2 0.00 0.02 0.15 -0.04 3.95 4.08 1yguC1 SER 2005 HB3 0.00 -0.00 0.04 -0.04 3.93 3.93