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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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Detalles Bibliográficos
Autores principales: Vila, Jorge A., Serrano, Pedro, Wüthrich, Kurt, Scheraga, Harold A.
Formato: Texto
Lenguaje:English
Publicado: Springer Netherlands 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970923/
https://www.ncbi.nlm.nih.gov/pubmed/20644980
http://dx.doi.org/10.1007/s10858-010-9435-7