title: Development of a method for reconstruction of crowded NMR spectra from undersampled time-domain data.
abstract: NMR is a unique methodology for obtaining information about the conformational dynamics of proteins in heterogeneous biomolecular systems. In various NMR methods, such as transferred cross-saturation, relaxation dispersion, and paramagnetic relaxation enhancement experiments, fast determination of the signal intensity ratios in the NMR spectra with high accuracy is required for analyses of targets with low yields and stabilities. However, conventional methods for the reconstruction of spectra from undersampled time-domain data, such as linear prediction, spectroscopy with integration of frequency and time domain, and analysis of Fourier, and compressed sensing were not effective for the accurate determination of the signal intensity ratios of the crowded two-dimensional spectra of proteins. Here, we developed an NMR spectra reconstruction method, "conservation of experimental data in analysis of Fourier" (Co-ANAFOR), to reconstruct the crowded spectra from the undersampled time-domain data. The number of sampling points required for the transferred cross-saturation experiments between membrane proteins, photosystem I and cytochrome b 6 f, and their ligand, plastocyanin, with Co-ANAFOR was half of that needed for linear prediction, and the peak height reduction ratios of the spectra reconstructed from truncated time-domain data by Co-ANAFOR were more accurate than those reconstructed from non-uniformly sampled data by compressed sensing.
authors: Graduate School of Pharmaceutical Sciences, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo, 113-0033, Japan.
authors: Takumi
authors: T
authors: Ueda
authors: Chie
authors: C
authors: Yoshiura
authors: Masahiko
authors: M
authors: Matsumoto
authors: Yutaka
authors: Y
authors: Kofuku
authors: Junya
authors: J
authors: Okude
authors: Keita
authors: K
authors: Kondo
authors: Yutaro
authors: Y
authors: Shiraishi
authors: Koh
authors: K
authors: Takeuchi
authors: Ichio
authors: I
authors: Shimada
mesh_terms: D002247:Carbon Isotopes / Q000737:chemistry; D045346:Cytochrome b6f Complex / Q000737:chemistry; D006801:Humans; D008565:Membrane Proteins / Q000737:chemistry; D009587:Nitrogen Isotopes / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D045331:Photosystem I Protein Complex / Q000737:chemistry; D010970:Plastocyanin / Q000737:chemistry; D025801:Ubiquitin / Q000737:chemistry
chemical_list: D002247:Carbon Isotopes; D008565:Membrane Proteins; D009587:Nitrogen Isotopes; D045331:Photosystem I Protein Complex; D025801:Ubiquitin; D010970:Plastocyanin; D045346:Cytochrome b6f Complex