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Deuterium isotope effects on (15)N backbone chemical shifts in proteins

Quantum mechanical calculations are presented that predict that one-bond deuterium isotope effects on the (15)N chemical shift of backbone amides of proteins, (1)Δ(15)N(D), are sensitive to backbone conformation and hydrogen bonding. A quantitative empirical model for (1)Δ(15)N(D) including the back...

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Autores principales: Abildgaard, Jens, Hansen, Poul Erik, Manalo, Marlon N., LiWang, Andy
Formato: Artigo
Lenguaje:Inglês
Publicado: Springer Netherlands 2009
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2697368/
https://ncbi.nlm.nih.gov/pubmed/19455282
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10858-009-9316-0
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