Quantitative Analysis of Transferred Nuclear Overhauser Effects in Complex Spin Systems by Full Relaxation Matrix Analysis

A computer program was developed for studying transferred nuclear Overhauser effects in complex spin systems. It permits quantitative analysis of nuclear Overhauser effects observed in biologically important systems, such as ligands interacting with transmembrane receptors in the presence of lipid bilayers. The full generalized relaxation matrix approach takes into account the local mobility, spin equivalence, finite exchange rates, and spectral overlap. The program can be used either to simulate theoretical nuclear Overhauser effect buildup curves or to fit a relaxation matrix of a given model to experimental data. Selected examples illustrate the program's performance.