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. 2012 Aug 24;287(42):35181–35191. doi: 10.1074/jbc.M112.378042

TABLE 2.

Summary of the two-dimensional NMR chemical shifts for the [13Cβ]Cys free amino acid in the absence and presence of diamide, NaOH, and heme

Shown are NMR chemical shifts (13C,1H) of [13Cβ]Cys free amino acid (3 mg/ml) in the absence and presence of diamide (2.5 mm), NaOH (0.1 n, pH 12), or heme (300 μg/ml, pH 12). Spectra were recorded at 298 K in 50 mm potassium Pi, pH 7.4, 10% D2O buffer. ppm, chemical shift in parts per million of the spectrometer frequency.

[13Cβ]Cys free amino acid Reduced [13C]Cys Oxidized [13C]Cys
ppm ppm
Alone 27.8:3.03
27.8:2.98
With diamide 40.5:3.34
40.5:3.13
With NaOH 27.8:2.98
With heme 27.8:3.02 40.0:3.30
27.8:2.93 40.0:3.07