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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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Autors principals: Vila, Jorge A., Serrano, Pedro, Wüthrich, Kurt, Scheraga, Harold A.
Format: Artigo
Idioma:Inglês
Publicat: Springer Netherlands 2010
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Accés en línia: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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