The species-specific chemical shifts (on the ppm scale) determined for cysteine and cystine microspecies.

The uncertainty of determination for chemical shift on the ppm scale is 0.001 and 0.01 for 1H and 13C chemical shift values, respectively. For the thiol- and disulfide-bearing species, the concomitant thiolate protonation constant given in the third column refer to the relevant thiolate-bearing microspecies that give rise to such thiol- or disulfide-bearing species via protonation or oxidation, respectively. The thiolate protonation constants were determined previously in [9].