The results of the calculations are presented in this section. The values of globally fitted parameters are:
|Slow exchange||Forward and backward rates kAB and kBA
Exchange rate kex = kAB + kBA
|Fast exchange||Exchange rate kex = kAB + kBA|
The chemical shift differences Δδ for the slow exchange regime and population weighted chemical shift differences φ for the fast exchange regime are fitted separately for each residue. Intrinsic relaxation rates are fitted for each residue and each B0 field value.
ShereKhan provides a graphical presentation of the experimental and calculated dispersion profiles. Moreover, plots for individual residues are available to check the details of the fitting results. Additional plots either shows chemical shift differences Δδ for the slow exchange regime or φ values for the fast exchange regime. A pdf file with dispersion curves and a summary output file (log file) are available for download.
Fitting of the experimental data. The graphs can be downloaded in SVG, PDF, PNG and JPG format. Moving over the residues in the legend (top right corner) will highlight the corresponding data of the respective amino acid at the given field strength.