============================================================================= 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 ============================================================================= 1rdtE1 LYS 67 HA 0.00 0.04 0.22 -0.75 4.32 3.82 1rdtE1 GLN 68 H 0.00 0.22 0.13 -0.55 8.47 8.27 1rdtE1 GLN 68 HA 0.00 0.10 0.49 -0.75 4.36 4.19 1rdtE1 LEU 69 H 0.00 0.18 -0.05 -0.55 8.37 7.95 1rdtE1 SER 70 H 0.00 0.11 -0.56 -0.55 8.46 7.46 1rdtE1 SER 70 HA 0.00 0.06 0.40 -0.75 4.49 4.19 1rdtE1 GLU 71 H 0.00 0.34 -0.17 -0.55 8.60 8.22 1rdtE1 GLU 71 HA 0.00 0.05 0.46 -0.75 4.29 4.05 1rdtE1 LEU 72 H 0.00 0.65 -0.00 -0.55 8.37 8.47 1rdtE1 LEU 72 HA 0.00 -0.02 0.32 -0.75 4.35 3.89 1rdtE1 LEU 73 H 0.00 0.17 -0.95 -0.55 8.37 7.05 1rdtE1 LEU 73 HA 0.00 0.12 0.59 -0.75 4.35 4.31