title: Magnitudes and orientations of the 15N chemical shift tensor of [1-15N]-2'-deoxyguanosine determined on a polycrystalline sample by two-dimensional solid-state NMR spectroscopy.
abstract: The magnitudes and orientations of the 15N chemical shift tensor of [1-15N]-2'-deoxyguanosine were determined from a polycrystalline sample using the two-dimensional PISEMA experiment. The magnitudes of the principal values of the 15N chemical shift tensor of the N1 nitrogen of [1-15N]-2'-deoxyguanosine were found to be sigma11 = 54 ppm, sigma22 = 148 ppm, and sigma33 = 201 ppm with respect to (15NH4)2SO4 in aqueous solution. Comparisons of experimental and simulated two-dimensional powder pattern spectra show that sigma33N is approximately collinear with the N-H bond. The tensor orientation of sigma33N for N1 of [1-15N]-2'-deoxyguanosine is similar to the values obtained for the side chain residues of 15Nepsilon1-tryptophan and 15Npi-histidine even though the magnitudes differ significantly.
authors.affiliation: Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
authors.forename: G A
authors.initials: GA
authors.lastname: Lorigan
authors.forename: R
authors.initials: R
authors.lastname: McNamara
authors.forename: R A
authors.initials: RA
authors.lastname: Jones
authors.forename: S J
authors.initials: SJ
authors.lastname: Opella
mesh_terms: D000645:Ammonium Sulfate / Q000737:chemistry; D003198:Computer Simulation; D003460:Crystallization; D003849:Deoxyguanosine / Q000737:chemistry*; D006639:Histidine / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D009584:Nitrogen / Q000737:chemistry; D009587:Nitrogen Isotopes; D014364:Tryptophan / Q000737:chemistry
chemical_list: D009587:Nitrogen Isotopes; D006639:Histidine; D006859:Hydrogen; D014364:Tryptophan; D003849:Deoxyguanosine; D009584:Nitrogen; D000645:Ammonium Sulfate