通过高分辨率 1H 固态 NMR 和 GIPAW 化学位移计算确定具有反平行和平行 β-折叠结构的丙氨酸三肽的准确 1H 位置。
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.
机构信息
Department of Biotechnology, Tokyo University of Agriculture and Technology, 2-24-16 Koganei, Tokyo, Japan.
出版信息
Chem Commun (Camb). 2012 Nov 25;48(91):11199-201. doi: 10.1039/c2cc36300c. Epub 2012 Oct 8.
PMID:23044520
Abstract
The accurate (1)H positions of alanine tripeptide, A(3), with anti-parallel and parallel β-sheet structures could be determined by highly resolved (1)H DQMAS solid-state NMR spectra and (1)H chemical shift calculation with gauge-including projector augmented wave calculations.
摘要
通过高分辨率的 (1)H DQMAS 固态 NMR 谱和基于赝势平面波加投影缀加波方法的 (1)H 化学位移计算，可以确定具有反平行和平行 β-折叠结构的丙氨酸三肽（A(3)）的 (1)H 精确位置。
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