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Deamidation of Protonated GlnAla (QA).
Calculated relative free energies at 298 K for different isomeric structures possibly resulting from NH3-loss, for different protonation sites for each of them. Note that 11 and 12 are tautomers of the same isomer; depending on the protonation site, the two structures may be equivalent (i.e., 11.1 is the same as 12.1)
