Abstract

3-Sphere approach is applied on prediction dihedral angle θHnHn+1[deg] only from vicinal coupling constant 3JHnHn+1[Hz] with Java script, in comparation with angles calculated from the differences between two atoms of carbon chemical shift (ΔδCnCn+1[ppm]) and Karplus equations. The trigonometric equations 1, 2 ensuring the right sign along the D-, L series rule.

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