============================================================================= 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 ============================================================================= 2oxzX1 ILE 207 HA 0.00 -0.05 0.17 -0.75 4.18 3.54 2oxzX1 ILE 207 HB 0.00 -0.01 0.04 -0.04 1.89 1.88 2oxzX1 ILE 207 HG12 0.00 -0.07 0.11 -0.04 1.49 1.48 2oxzX1 ILE 207 HG13 0.00 0.00 0.07 -0.04 1.21 1.24 2oxzX1 ILE 207 HG23 0.00 0.00 -0.17 -0.04 0.93 0.72 2oxzX1 ILE 207 HD13 0.00 0.00 0.01 -0.04 0.88 0.86 2oxzX1 ALA 208 H 0.00 0.14 0.11 -0.55 8.40 8.10 2oxzX1 ALA 208 HA 0.00 0.15 0.81 -0.75 4.34 4.55 2oxzX1 ALA 208 HB3 0.00 0.01 -0.00 -0.04 1.41 1.38 2oxzX1 GLY 209 H 0.00 0.13 0.06 -0.55 8.43 8.07 2oxzX1 GLY 209 HA2 0.00 0.12 0.09 -0.51 4.01 3.71 2oxzX1 GLY 209 HA3 0.00 0.04 0.18 -0.51 4.01 3.73