============================================================================= 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 ============================================================================= 1po101 GLY 6 HA2 0.00 -0.02 0.12 -0.51 4.01 3.60 1po101 GLY 6 HA3 0.00 -0.08 0.19 -0.51 4.01 3.60 1po101 SER 7 H 0.00 0.09 0.04 -0.55 8.46 8.04 1po101 SER 7 HA 0.00 0.17 0.64 -0.75 4.49 4.55 1po101 SER 7 HB2 0.00 -0.04 0.17 -0.04 3.95 4.04 1po101 SER 7 HB3 0.00 0.02 -0.06 -0.04 3.93 3.85 1po101 SER 8 H 0.00 0.23 0.09 -0.55 8.46 8.24 1po101 SER 8 HA 0.00 0.08 0.76 -0.75 4.49 4.58 1po101 SER 8 HB2 0.00 0.01 0.10 -0.04 3.95 4.02 1po101 SER 8 HB3 0.00 -0.03 0.19 -0.04 3.93 4.04 1po101 SER 9 H 0.00 0.19 0.12 -0.55 8.46 8.22 1po101 SER 9 HA 0.00 0.13 0.67 -0.75 4.49 4.54 1po101 SER 9 HB2 0.00 0.04 0.08 -0.04 3.95 4.02 1po101 SER 9 HB3 0.00 -0.00 0.04 -0.04 3.93 3.92 1po101 THR 10 H 0.00 0.14 0.04 -0.55 8.28 7.91 1po101 THR 10 HA 0.00 0.20 0.52 -0.75 4.39 4.36 1po101 THR 10 HB 0.00 -0.02 0.01 -0.04 4.32 4.27 1po101 THR 10 HG23 0.00 0.00 0.02 -0.04 1.22 1.20