Journal
CONCEPTS IN MAGNETIC RESONANCE
Volume 14, Issue 4, Pages 259-286Publisher
WILEY
DOI: 10.1002/cmr.10027
Keywords
paramagnetism; pseudocontact shifts; residual dipolar coupling; relaxation rates; cross correlations
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Paramagnetism-based constraints for the solution structure determination of metal-containing proteins are introduced and analyzed theoretically to emphasize the amount of information that they contain. They are the relaxation rates, contact shifts, pseudocontact shifts, self-orientation residual dipolar couplings and, cross correlations between Curie relaxation and dipolar relaxation. Computational strategies are discussed and examples are provided to show the effective impact of such constraints in real life. (C) 2002 Wiley Periodicals, Inc.
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