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Issue 91, 2012
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Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

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Abstract

The accurate 1H positions of alanine tripeptide, A3, with anti-parallel and parallel β-sheet structures could be determined by highly resolved 1H DQMAS solid-state NMR spectra and 1H chemical shift calculation with gauge-including projector augmented wave calculations.

Graphical abstract: Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

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Publication details

The article was received on 30 Aug 2012, accepted on 27 Sep 2012 and first published on 27 Sep 2012


Article type: Communication
DOI: 10.1039/C2CC36300C
Citation: Chem. Commun., 2012,48, 11199-11201
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    Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation

    K. Yazawa, F. Suzuki, Y. Nishiyama, T. Ohata, A. Aoki, K. Nishimura, H. Kaji, T. Shimizu and T. Asakura, Chem. Commun., 2012, 48, 11199
    DOI: 10.1039/C2CC36300C

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