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Comparison of the simulated and measured NMR observables for ALA5 and ALA7. The left panels stand for ALA5 and the right panels stand for ALA7. The top panels stand for Ca chemical shifts and the other panels stand for three backbone scalar couplings, 3JHNHα JHNCβ, and JHaC. The standard errors of the mean of residual chemical shifts and scalar couplings are very small and are not shown for the sake of clarity of the figures.
