============================================================================= 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 ============================================================================= 2q8dG1 GLY 33 H 0.00 0.09 -0.02 -0.55 8.43 7.95 2q8dG1 GLY 33 HA2 0.00 -0.04 0.33 -0.51 4.01 3.78 2q8dG1 GLY 33 HA3 0.00 0.14 0.64 -0.51 4.01 4.28 2q8dG1 GLY 34 H 0.00 0.15 0.15 -0.55 8.43 8.18 2q8dG1 GLY 34 HA2 0.00 0.01 0.27 -0.51 4.01 3.78 2q8dG1 GLY 34 HA3 0.00 0.22 0.86 -0.51 4.01 4.58 2q8dG1 VAL 35 H 0.00 0.25 0.06 -0.55 8.24 8.01 2q8dG1 VAL 35 HA 0.00 0.23 0.42 -0.75 4.13 4.02 2q8dG1 VAL 35 HB 0.00 0.02 0.08 -0.04 2.12 2.18 2q8dG1 VAL 35 HG13 0.00 0.01 -0.08 -0.04 0.97 0.86 2q8dG1 VAL 35 HG23 0.00 -0.00 0.00 -0.04 0.95 0.91