============================================================================= 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 ============================================================================= 3go0B1 GLY 12 HA2 0.00 -0.01 0.01 -0.51 4.01 3.50 3go0B1 GLY 12 HA3 0.00 -0.01 0.01 -0.51 4.01 3.50 3go0B1 GLY 17 HA2 0.00 -0.00 0.01 -0.51 4.01 3.51 3go0B1 GLY 17 HA3 0.00 -0.00 0.01 -0.51 4.01 3.51 3go0B1 GLY 23 HA2 0.00 -0.00 0.01 -0.51 4.01 3.50 3go0B1 GLY 23 HA3 0.00 -0.00 0.01 -0.51 4.01 3.51