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3J proton–proton coupling constants bear information on the intervening dihedral angles. Methods have been developed to derive this information from NMR spectra of proteins. Using series expansion of the time dependent density matrix, and exploiting the simple topology of amino acid spin-systems, formulae for estimation of $$^{3}\hbox{J}_{{\rm HN-H}\alpha}$$ and $$^{3}\hbox{J}_{{\rm H}\alpha...
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