title: A computational study of the effects of (13) C-(13) C scalar couplings on (13) C CEST NMR spectra: towards studies on a uniformly (13) C-labeled protein.
abstract: Read the label: The NMR CEST experiment can be used to reconstruct spectra of sparsely populated, transiently formed protein conformers so long as they exchange with a highly populated ground state with rates of 20-300 s(-1) . Here we establish that accurate (13) C chemical shifts of side-chain carbon nuclei can be obtained from uniformly (13) C-labeled samples, without interference from the coupled (13) C spin network.
authors.affiliation: Departments of Molecular Genetics, Biochemistry and Chemistry, University of Toronto, 1, King's College Circle, Toronto, Ontario, M5S 1A8 (Canada).
authors.forename: Pramodh
authors.initials: P
authors.lastname: Vallurupalli
authors.forename: Guillaume
authors.initials: G
authors.lastname: Bouvignies
authors.forename: Lewis E
authors.initials: LE
authors.lastname: Kay
mesh_terms: D002247:Carbon Isotopes / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D011789:Quantum Theory
chemical_list: D002247:Carbon Isotopes; D011506:Proteins
keywords: 13C chemical shifts; chemical exchange saturation transfer; conformationally excited states; protein dynamics; scalar coupling effects