COMPUTER-ASSISTED ASSIGNMENT OF HOMONUCLEAR-3D NMR-SPECTRA OF PROTEINS - APPLICATION TO PIKE PARVALBUMIN-III

We have developed algorithms for semiautomatic assignment of homonuclear [1H, 1H, 1H] 3D [J, NOE]- and [NOE, J]-type NMR spectra of proteins. The potential of these algorithms is demonstrated on a peak-picked 3D Clean TOCSY-NOE spectrum of pike parvalbumin III. The algorithms have been embedded in a computer program called ALISON, which provides general display, bookkeeping, and assignment tools for the analysis of homonuclear and heteronuclear 3D NMR spectra of biomacromolecules. © 1993 Academic Press, Inc.