============================================================================= 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 ============================================================================= 1po201 GLY 6 HA2 0.00 -0.03 0.10 -0.51 4.01 3.58 1po201 GLY 6 HA3 0.00 -0.08 0.18 -0.51 4.01 3.60 1po201 SER 7 H 0.00 0.09 0.05 -0.55 8.46 8.05 1po201 SER 7 HA 0.00 0.17 0.67 -0.75 4.49 4.58 1po201 SER 7 HB2 0.00 -0.05 0.06 -0.04 3.95 3.92 1po201 SER 7 HB3 0.00 0.03 -0.01 -0.04 3.93 3.91 1po201 SER 8 H 0.00 0.21 0.10 -0.55 8.46 8.22 1po201 SER 8 HA 0.00 0.11 0.86 -0.75 4.49 4.70 1po201 SER 8 HB2 0.00 0.02 0.08 -0.04 3.95 4.01 1po201 SER 8 HB3 0.00 -0.03 0.19 -0.04 3.93 4.04 1po201 SER 9 H 0.00 0.18 0.08 -0.55 8.46 8.18 1po201 SER 9 HA 0.00 0.14 0.65 -0.75 4.49 4.53 1po201 SER 9 HB2 0.00 0.03 0.06 -0.04 3.95 4.00 1po201 SER 9 HB3 0.00 -0.00 0.01 -0.04 3.93 3.89 1po201 THR 10 H 0.00 0.14 0.05 -0.55 8.28 7.92 1po201 THR 10 HA 0.00 0.24 0.66 -0.75 4.39 4.54 1po201 THR 10 HB 0.00 -0.01 0.03 -0.04 4.32 4.30 1po201 THR 10 HG23 0.00 0.01 0.02 -0.04 1.22 1.20