Assignment of protein NMR spectra in the light of homonuclear 3D spectroscopy: an automatable procedure based on 3D TOCSY-TOCSY and 3D TOCSY-NOESY.

Automated assignment of proteins is greatly simplified using data from 3D-nmr spectra. A strategy is presented which makes use of 3D-TOCSY-TOCSY and 3D-TOCSY-NOESY; its potential is demonstrated with the example of the spectra of BPTI. The discussion of the potential of 3D-nmr includes the introduction of a simple graph for the description of the information content of multidimensional nmr spectra.