deletions | additions       diff --git a/section_Theory_ProCS_computes_the__.tex b/section_Theory_ProCS_computes_the__.tex  index 6a94687..ffd907e 100644  --- a/section_Theory_ProCS_computes_the__.tex  +++ b/section_Theory_ProCS_computes_the__.tex 
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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 (some of these terms only contribute for certain atom types as described below)   \begin{equation}  \label{eqn:procs}  \sigma^i=\sigma^i_{BB}+\Delta\sigma^{i-1}_{BB}+\Delta\sigma^{i+1}_{BB}+\Delta\sigma^{i}_{HB}+\Delta\sigma^{i}_{H\alpha B}+\Delta\sigma^{i}_{RC} B}+\Delta\sigma^{i}_{RC}+\Delta\sigma^{i}_{W}  \end{equation}  Here $\sigma^i_{BB}=\sigma^i_{BB}(\phi^i,\psi^i,\chi^i_1,\chi^i_2,...)$ is the chemical shielding computed for a Ac-AXA-NMe tripeptide (AXA for short, Figure 1), where X is residue $i$, for a given combination of $\phi$, $\psi$, and $\chi_1$, $\chi_2$, ... values as described further in Section 4.1. is the change in chemical shielding of an atom in residue $i$ due to the presence of the side-chain of residue $i - 1$. It is computed as  $$\Delta\sigma^{i-1}_{BB}=\sigma^{i-1}_{BB}(\phi^{i-1},\psi^{i-1},\chi^{i-1}_1,\chi^{i-1}_2,...)-\sigma^A(\phi_{\mathrm{std}},\psi_{\mathrm{std}})$$ 
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