A SIMPLE APPROACH TO ANALYZING PROTEIN SIDE-CHAIN DYNAMICS FROM C-13 NMR RELAXATION DATA

A simple approach to deriving motional dynamics information of protein and peptide side chains by using C-13 NMR relaxation data is presente d. By using linear approximation of internal rotational correlation fu nctions, simple equations for relating sidechain conformation, bond ro tational amplitudes, and rotational correlation coefficients with diff erent NMR relaxation parameters have been obtained. Auto-and cross-cor relation spectral densities are considered, and it is shown that proto n-coupled C-13 NMR relaxation measurements allow detailed motional inf ormation to be obtained. (C) 1998 Academic Press.