REPARAMETRIZATION OF KARPLUS EQUATION RELATING (3)J(C-C-O-P) TO TORSION ANGLE

• A new three-parameter Karplus equation (3)J(C-C-O-P) = 9.1 cos(2) Phi - 1.9 cos Phi + 0.8 is based on the 17 (3)J(CP) coupling constants and the corresponding X-ray derived torsion angles giving an r.m.s. of 0.3 Hz and Delta J < 0.5 Hz between J(exp) and

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NMR COUPLING-CONSTANTS; NUCLEAR MAGNETIC-RESONANCE; SUBSTITUENT ELECTRONEGATIVITIES; CONFORMATIONAL-ANALYSIS; 5'-CYCLIC NUCLEOTIDES; MOLECULAR-STRUCTURE; ACID

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