STELLA and CLAIRE: A Seraglio of Programs for Human-Aided Assignment of 2D 1H NMR Spectra of Proteins
Algorithms for the automation of the assignment of two-dimensional proton NMR spectra of proteins are presented. STELLA is a program suite for automatic, semi-automatic or manual peak-picking. CLAIRE is a software package for human-aided assignment. The programs are demonstrated using data sets pertaining to phoratoxin B, a protein consisting of 46 amino-acid residues.
KeywordsSpin System Cross Peak Channel Number Cosy Spectrum Program Suite
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