STELLA and CLAIRE: A Seraglio of Programs for Human-Aided Assignment of 2D 1H NMR Spectra of Proteins

  • Gerard J. Kleywegt
  • Rolf Boelens
  • Robert Kaptein
Part of the NATO ASI Series book series (NSSA, volume 225)


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.


Spin System Cross Peak Channel Number Cosy Spectrum Program Suite 


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Copyright information

© Springer Science+Business Media New York 1991

Authors and Affiliations

  • Gerard J. Kleywegt
    • 1
  • Rolf Boelens
    • 1
  • Robert Kaptein
    • 1
  1. 1.Department of Organic ChemistryUniversity of UtrechtCH UtrechtThe Netherlands

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