============================================================================= 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 ============================================================================= 2oxzY1 GLN 205 HA 0.00 -0.01 0.12 -0.75 4.36 3.72 2oxzY1 GLN 205 HB2 0.00 -0.05 0.02 -0.04 2.15 2.07 2oxzY1 GLN 205 HB3 0.00 -0.08 0.12 -0.04 2.02 2.01 2oxzY1 GLN 205 HG2 0.00 0.02 0.04 -0.04 2.40 2.41 2oxzY1 GLN 205 HG3 0.00 0.01 0.02 -0.04 2.39 2.38 2oxzY1 GLN 205 HE21 0.00 0.01 0.01 -0.04 6.97 6.95 2oxzY1 GLN 205 HE22 0.00 0.00 0.01 -0.04 7.69 7.67 2oxzY1 GLY 206 H 0.00 0.12 0.00 -0.55 8.43 8.00 2oxzY1 GLY 206 HA2 0.00 0.08 0.12 -0.51 4.01 3.70 2oxzY1 GLY 206 HA3 0.00 0.09 0.15 -0.51 4.01 3.75