The 'CUPID' method for calculating the continuous probability distribution of rotamers from NMR data

The distribution of rotamer probability about a dihedral angle was studied by Continuous Probability Distribution (CUPID). An equation was presented involving vicinal nuclear spin-spin coupling constants and dihedral angles. The rotationally averaged nuclear Overhauser enhancement was expressed as anintegral which can be solved by expanding the exponential terms in a Fourier series. Angular probability distribution, linear regression and Gaussian curves were some of the techniques used in CUPID.