USE OF LINEAR GRAPHS IN THE ANALYSIS OF SPIN DIFFUSION IN NOE SPECTRA OF MACROMOLECULES

Semianalytical expressions have been obtained for the time development of the transient NOE in multispin networks in the ω0τc ≫ 1 limit, which is relevant to macromolecular systems. It is observed that the spin-diffusion function in an n-spin system can be partitioned into two contributions, one which is dependent on the identity of the two spins between which the NOE is being observed and one which is common to all the spins in the network. A method employing linear graphs is demonstrated for determining appropriate coefficients involved in the contributing functions, which are tedious to obtain algebraically. Relevance to errors in the estimation of internuclear distances using the linear approximation is discussed. © 1991.