Fig. 3

Chemical shifts of ¹⁵N-labeled ^MtbPup conjugated to ^MtbFabD-3KR compared with those of ¹⁵N-labeled ^MtbPup conjugated to lysine or with free ¹⁵N-labeled ^MtbPup. a Superposition of [¹⁵N,¹H]-HSQC correlation spectra of ¹⁵N-^MtbPup (black) with ¹⁵N-^MtbPup ~ lysine (red) and ¹⁵N-^MtbPup ~ ^MtbFabD-3KR (green), all measured at 10 °C. b Schematic representation of the C-terminal end of ^MtbPup present in the three NMR samples highlights the different charge states. S stands for substrate (^MtbFabD or ^MtbPanB). c Histograms of the absolute chemical shift of ^MtbPup ~ ^MtbFabD-3KR minus ^MtbPup ~ lysine and the traditional chemical shift mapping based on the weighted sum of ¹H and ¹⁵N shift changes. The region with helical propensity in free ^MtbPup is indicated in blue