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\section{Theory}  ProCS computes the chemical shift of an atom in residue \textit{i} by  $$ \delta^i = b-a\sigma^i$$  where \textit{b} and \textit{a} are empirically determined parameters as discussed further below and σi is the isotropic chemical shielding of an atom in residue \textit{i}. $\sigma^i$ is computed from the protein structure the following equation $$\sigma^i=\sigma^i_{BB}+\sigma^{i-1}_{BB}+\sigma^{i+1}_{BB}+\sigma^{i}_{HB}+\sigma^{i}_{H\alpha B}+\sigma^{i}_{RC} $$