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\subsection{Statistical analysis} \subsection{Correcting for random coil effects}  Much of the variation in some of the chemical shifts comes from the nature of the side-chain itself and the side chains before and after in the sequence, which can lead to inflated R values. To separate the contributions of the sequence and the structure we subtract the measured sequence corrected random coil values (xx) from all predicted and experimental values. Note that this does not affect the computed RMSD values.  All RMSD, unless otherwise noted, are computed after a linear regression fit in which outliers have been automatically identified using the Generalized Extreme Studentized Deviate Test and removed. This is done because outliers can dominate the RMSD values.