摘要:
NMR spectroscopy is being used increasingly to determine the structure of proteins. According to the invention, cross-signal pattern search masks are used to jointly evaluate 3D triple resonance experiments and the amino acid type-specific 2D spectra. By means of pattern identification, the inventive cross-signal pattern search masks allow all signal peaks caused by one or a group of amino acids, whose exact sequence has previously been derived from the protein sequence and which form the basis for the specific pattern identification, to be jointly detected and evaluated. The invention permits the fully-automated assignment of the signal peaks occurring in the various spectra to the magnetically active nuclei of the protein.