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• W2123036020 endingPage "e42075" @default.
• W2123036020 startingPage "e42075" @default.
• W2123036020 abstract "An n = π* interaction between neighboring carbonyl groups has been postulated to stabilize protein structures. Such an interaction would affect the (13)C chemical shielding of the carbonyl groups, whose paramagnetic component is dominated by n = π* and π = π* excitations. Model compound calculations indicate that both the interaction energetics and the chemical shielding of the carbonyl group are instead dominated by a classical dipole-dipole interaction. A set of high-resolution protein structures with associated carbonyl (13)C chemical shift assignments verifies this correlation and provides no evidence for an inter-carbonyl n = π* interaction." @default.
• W2123036020 created "2016-06-24" @default.
• W2123036020 creator A5008438649 @default.
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• W2123036020 date "2012-08-02" @default.
• W2123036020 modified "2023-10-13" @default.
• W2123036020 title "13C NMR Reveals No Evidence of n−π* Interactions in Proteins" @default.
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• W2123036020 doi "https://doi.org/10.1371/journal.pone.0042075" @default.
• W2123036020 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/3410932" @default.
• W2123036020 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22876300" @default.
• W2123036020 hasPublicationYear "2012" @default.
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