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. Author manuscript; available in PMC: 2016 Jun 6.
Published in final edited form as: J Phys Chem B. 2015 Jun 10;119(25):8024–8036. doi: 10.1021/acs.jpcb.5b04647

Figure 4.

Figure 4

17O MAS NMR of L-glycyl-glycine HCl monohydrate – (a) Three-site simulation of the two carboxylic oxygens (COOH) and the bound water oxygen (H2O); (b) experimental data acquired at 21.1 T. The molecular structure (inset) depicts that 17O labels and assignments based on 17O isotropic chemical shift. All 17O NMR parameters for each site are located in Table 2.