Fig. 3
13C and 1H chemical shift indexes derived from a 13Cα chemical shifts (Δ13Cα ≥ + 1, + 1 and Δ13Cα ≤ − 1, − 1), b 13Cβ chemical shifts (Δ13Cβ ≥ + 1, + 1 and Δ13Cβ ≤ − 1, − 1), c 1Hα chemical shifts (Δ1Hα ≥ + 1, + 1 and Δ1Hα ≤ − 1, − 1). Δ13Cα indicates the 13Cα average random coil chemical shift for that residue type subtracted from the 13Cα chemical shift of each residue. Δ13Cβ and Δ1Hα were also calculated in the same way (Wishart and Sykes 1994; Wishart et al. 1992). The values of − 1, 0, and + 1 indicate α-helix, random coil, and β-sheet, respectively, in 13C. The values of − 1, 0, + 1 in 1H CSI indicate β-sheet, random coil, and α-helix, respectively. d Secondary structure prediction using the PECAN algorithm (Eghbalnia et al. 2005)