BACKBONE CONFORMATIONAL STUDY OF A NON-PALINDROMIC 16-BASE-PAIR DNA DUPLEX EXPLORING 2D P-31-H-1 HETERONUCLEAR INVERSE SPECTROSCOPY - ASSIGNMENT OF ALL NMR PHOSPHORUS RESONANCES AND MEASUREMENT OF (3)J-P-31-H-1-3' COUPLING-CONSTANTS

Assignment of all P-31 resonances of a 16 base-pair DNA duplex, 5'd(CT GCTCACTTTCCAGG)3' 5'd(CCTGGAAAGTGAGCAG)3', related to the DNA KB Site of the HIV-1 LTR, was determined by 2D heteronuclear inverse NMR spect roscopy (HSQC-TOCSY and heteronuclear COSY), 3J(H3'-P) coupling consta nts for mast of the oligomer phosphates were obtained using heteronucl ear selective COSY. Theoretical considerations of the P-31 relaxation in macromolecules in solution allow parameter optimization of two-dime nsional H-1-P-31 NMR experiments. Structural information can then be e xtracted to define the backbone conformation of large oligonucleotides in solution.