Relaxation matrix analysis of two-dimensional nuclear Overhauser effect spectra

The large number of interproton distances extracted from two-dimensional nuclear Overhauser effect spectra has enabled determination of biomolecular structures in solution. The accuracy of those distances is increased substantially and the number of distances increased significantly by analysis of the experimental peak intensities using a complete relaxation matrix approach. More distances and more accurate distances both lead to a higher resolution structure. A complete relaxation matrix analysis also enables simulation of peak intensities for any postulated structure; comparison of these intensities with experimental intensities can provide a guide for structure refinement as well as a measure of the quality of the structure derived.