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Sequential nearest-neighbor effects on computed (13)C(α) chemical shifts

To evaluate sequential nearest-neighbor effects on quantum-chemical calculations of (13)C(α) chemical shifts, we selected the structure of the nucleic acid binding (NAB) protein from the SARS coronavirus determined by NMR in solution (PDB id 2K87). NAB is a 116-residue α/β protein, which contains 9...

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Detalhes bibliográficos
Main Authors: Vila, Jorge A., Serrano, Pedro, Wüthrich, Kurt, Scheraga, Harold A.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Netherlands 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2970923/
https://ncbi.nlm.nih.gov/pubmed/20644980
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-010-9435-7
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