Crystallographic data on binase (109 aa) were used to calculate the chemical shift dispersion (CSD) for 99 α-CH protons, taking into account the effects of internal electric and magnetic fields of C=O, C-N, O-H, and aromatic ...

Using the protein crystal structure the chemical shift dispersions of binase α-CH protons were calculated for protein in native state and in a compact denatured one. The same models of internal fields with different adjusting ...

The native state can be considered as a unique conformation of the protein molecule with the lowest free energy of residue contacts. In this case, all other conformations correspond to the denatured state. The degree of ...