============================================================================= 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 ============================================================================= 2jueA19 GLY 2 H 0.00 0.12 0.01 -0.55 8.43 8.01 2jueA19 GLY 2 HA2 0.00 0.00 0.01 -0.51 4.01 3.51 2jueA19 GLY 2 HA3 0.00 0.00 0.01 -0.51 4.01 3.52 2jueA19 GLY 7 H 0.00 0.11 0.09 -0.55 8.43 8.08 2jueA19 GLY 7 HA2 0.00 -0.01 0.15 -0.51 4.01 3.63 2jueA19 GLY 7 HA3 0.00 -0.00 0.16 -0.51 4.01 3.65 2jueA19 GLY 8 H 0.00 0.11 0.03 -0.55 8.43 8.02 2jueA19 GLY 8 HA2 0.00 0.20 0.48 -0.51 4.01 4.19 2jueA19 GLY 8 HA3 0.00 0.04 0.20 -0.51 4.01 3.74 2jueA19 GLY 14 H 0.00 0.12 0.01 -0.55 8.43 8.01 2jueA19 GLY 14 HA2 0.00 0.00 0.02 -0.51 4.01 3.52 2jueA19 GLY 14 HA3 0.00 0.00 0.03 -0.51 4.01 3.53 2jueA19 GLY 26 H 0.00 0.11 -0.00 -0.55 8.43 7.99 2jueA19 GLY 26 HA2 0.00 -0.00 0.03 -0.51 4.01 3.53 2jueA19 GLY 26 HA3 0.00 -0.00 0.03 -0.51 4.01 3.52