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
J. Magn. Reson., 140 (2):
315--319 (October 1999)DOI: 10.1006/jmre.1999.1822
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.