Summary
A method for estimating αCH-βCH coupling constants from the shape and fine structure of NH-αCH fingerprint-region cross peaks of COSY spectra is presented. Spectral simulations have been used to analyse the effect of variations in 3JNH-αCH, 3JαCH-βCH, linewidths and digital resolution on the appearance of NH-αCH COSY cross peaks. On the basis of these simulations a set of rules for broadly categorising experimental NH-αCH cross peaks according to αCH-βCH coupling constants has been devised. The method has been applied to the analysis of NH-αCH cross peaks of hen lysozyme. The results are compared to previous measurements of αCH-βCH coupling constants using E.COSY techniques.
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Bartik, K., Redfield, C. A method for the estimation of χ1 torsion angles in proteins. J Biomol NMR 3, 415–428 (1993). https://doi.org/10.1007/BF00176008
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DOI: https://doi.org/10.1007/BF00176008