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. Author manuscript; available in PMC: 2012 Mar 30.
Published in final edited form as: J Am Chem Soc. 2011 Mar 4;133(12):4359–4366. doi: 10.1021/ja107775w

Table 1.

13C chemical shifts of UQ headgroup in solution and bound to DsbB. (DSS scale, the solution shifts in TMS scale are converted by +2.0 ppm35). Carbonyl chemical shifts in DsbB with significant difference are bolded.

Chemical Shift (ppm) UQ-1038 Ubiquinol-1037 UQ-8 in DsbB(C41S) pH 5.5 UQ-8 in DsbB(C41S) pH 8.0
C=O (1, 4) 185.9, 186.7 141.9, 142.1 165.5 154.7
C=C (2, 3) 146.4, 146.2 138.9, 138.8 137.5 142.4
C=C (5, 6) 140.8, 143.7 120.0, 124.0 126.8, 137.5 127.4, 135.6
CH3O (2′, 3′) 63.0 62.8, 62.7 63.4, 65.2 63.6, 64.0
CH3 (5′) 13.9 14.0 15.0 15.9