title: Theoretical study on the proton chemical shifts of hydrogen bonded nucleic acid bases.
abstract: The variation of the proton chemical shifts due to the formation intermolecular hydrogen bonds is computed for a number of complexes which can be formed between the bases of the nucleic acids. The shifts expected for the isolated base pairs, in particular for the G-N1 H, T(or U)-N3H protons and the protons of the amino groups of A, G c, when combined with previous computations on the shifts to be expected upon base stacking, may enable a refined analysis of the high resolution NMR spectra of self complementary polynucleotides or tRNAs. Two examples are presented of a direct computation of proton shits associated with helix-coil transitions, helpful for deducing the helical structure in solution.
mesh_terms: D001483:Base Sequence; D055598:Chemical Phenomena; D002621:Chemistry; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D009690:Nucleic Acid Conformation; D011063:Poly A-U; D011119:Polynucleotides; D011522:Protons; D011687:Purines; D011743:Pyrimidines; D012343:RNA, Transfer
chemical_list: D011119:Polynucleotides; D011522:Protons; D011687:Purines; D011743:Pyrimidines; D011063:Poly A-U; D012343:RNA, Transfer