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

被引：23

作者：

Yazawa, Koji ^{[1
]}

Suzuki, Furitsu ^{[2
]}

Nishiyama, Yusuke ^{[3
]}

Ohata, Takuya ^{[1
]}

Aoki, Akihiro ^{[1
]}

Nishimura, Katsuyuki ^{[4
]}

Kaji, Hironori ^{[2
]}

Shimizue, Tadashi ^{[5
]}

Asakura, Tetsuo ^{[1
]}

机构：

[1] Tokyo Univ Agr & Technol, Dept Biotechnol, Tokyo, Japan

[2] Kyoto Univ, Inst Chem Res, Kyoto 6110011, Japan

[3] JEOL RESONANCE Inc, Tokyo 1968558, Japan

[4] Natl Inst Nat Sci, Inst Mol Sci, Okazaki, Aichi 4448585, Japan

[5] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050003, Japan

来源：

CHEMICAL COMMUNICATIONS | 2012年 / 48卷 / 91期

基金：

日本学术振兴会;

关键词：

PROTON-PROTON PROXIMITIES; CYNTHIA-RICINI SILK; ALANYL-L-ALANINE; SECONDARY STRUCTURE; HYDROGEN-BONDS; H-1-NMR; SPECTROSCOPY; ANTIPARALLEL; PROTEINS; CRYSTAL;

D O I：

10.1039/c2cc36300c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The accurate H-1 positions of alanine tripeptide, A(3), with anti-parallel and parallel beta-sheet structures could be determined by highly resolved H-1 DQMAS solid-state NMR spectra and H-1 chemical shift calculation with gauge-including projector augmented wave calculations.

引用

页码：11199 / 11201

页数：3

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