1D MS/MS (*_CID_NCE35) and 2D-PC-MS (*_CVscan) data for doubly charged peptide ions of isomers I1 and I2 and their mixtures, as detailed in Table 1. In Xcalibur Raw File format.
The deconvolution analysis of amide-I peaks was performed using the 4th derivative of the Gaussian-Laurentzian-normalized FTIR spectra as described in the Materials and Methods.