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. 2020 Jul 28;10:12608. doi: 10.1038/s41598-020-69476-z

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© This is a U.S. Government work and not under copyright protection in the US; foreign copyright protection may apply 2020

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NMR assignments of the K15 CPS at pD ~ 12 and T = 50 °C. For reference the same HSQC is overlaid in both panels (red) with the C-H peak assignments, and a ¹³C 1D spectrum is shown as vertical trace. (A) HSQC-TOCSY spectrum acquired with a 60 ms mixing time (blue), showing the ¹H–¹H spin coupling at different ¹³C chemical shifts. Horizontal dashed lines highlight examples of ¹H–¹H spin systems: at GlcNAc C1 (98.55 ppm, indicated by G1), GlcNAc C2 (53.97 ppm, indicated by G2) and KDO C3 (34.75 ppm, indicated by K3) ¹³C chemical shifts. (B) HMBC spectrum (blue) for long-range connectivity was assigned by NMR. The G1-K5 HMBC interglycosidic correlation confirms the linkage in the repeating disaccharide and is indicated by dashed lines. The ‘*’ marks indicate trace signals from K15 decomposition (acetate and glycerol). (A high-resolution image of panel A is provided as Figure S1).