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Default Pressure response of amide one-bond J-couplings in model peptides and proteins

Pressure response of amide one-bond J-couplings in model peptides and proteins

Abstract

The pressure dependence of the one-bond indirect spinâ??spin coupling constants 1 J Nâ??H was studied in the protected tetrapeptides Ac-Gly-Gly-Xxx-Ala-NH2 (with Xxx being one of the 20 proteinogenic amino acids). The response of the 1 J Nâ??H coupling constants is amino acid type specific, with an average increase of its magnitude by 0.6Â*Hz at 200Â*MPa. The variance of the pressure response is rather large, the largest pressure effect is observed for asparagine where the coupling constant becomes more negative by â??2.9Â*Hz at 200Â*MPa. The size of the J-coupling constant at high pressure is positively correlated with its low pressure value and the β-propensity, and negatively correlated with the amide proton shift and the first order nitrogen pressure coefficient and the electrostatic solvation free energy.



Source: Journal of Biomolecular NMR
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