标题：Proton Nuclear Magnetic Resonance Investigations and Ring Current Calculations of Guanine N-1 and Thymine N-3 Hydrogen-Bonded Protons in Double-Helical Deoxyribonucleotides in Aqueous Solution
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：1974
卷号：71
期号：5
页码：1945-1948
DOI：10.1073/pnas.71.5.1945
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：Methods are outlined for assigning the guanine-N1H and thymine-N3H protons to particular base pairs in the proton nuclear magnetic resonance spectra of double-stranded oligodeoxyribonucleotides of known sequence in aqueous solution. Ring current calculations have been used to evaluate the upfield shifts of the guanine-N1H and thymine-N3H protons from the pyrimidine and purine rings of nearest-neighbor base pairs in DNA B-type double-helical structures. Chemical shifts of 13.6 {+/-} 0.1 ppm and 14.6 {+/-} 0.2 ppm are assigned to the guanine-N1H proton of an isolated G{middle dot}C base pair and the thymine-N3H proton of an isolated A{middle dot}T base pair, respectively.
