title: 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.
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.
authors.affiliation: Department of Biotechnology, Tokyo University of Agriculture and Technology, 2-24-16 Koganei, Tokyo, Japan.
authors.forename: Koji
authors.initials: K
authors.lastname: Yazawa
authors.forename: Furitsu
authors.initials: F
authors.lastname: Suzuki
authors.forename: Yusuke
authors.initials: Y
authors.lastname: Nishiyama
authors.forename: Takuya
authors.initials: T
authors.lastname: Ohata
authors.forename: Akihiro
authors.initials: A
authors.lastname: Aoki
authors.forename: Katsuyuki
authors.initials: K
authors.lastname: Nishimura
authors.forename: Hironori
authors.initials: H
authors.lastname: Kaji
authors.forename: Tadashi
authors.initials: T
authors.lastname: Shimizu
authors.forename: Tetsuo
authors.initials: T
authors.lastname: Asakura
mesh_terms: D000409:Alanine / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D009842:Oligopeptides / Q000737:chemistry; D017433:Protein Structure, Secondary
chemical_list: D009842:Oligopeptides; D006859:Hydrogen; D000409:Alanine