Lars Andersen Bratholm edited Delta_sigma_i__HB_in__.tex  over 8 years ago

Commit id: a35b11401c2e0ddbcb69dc1bc64c66b2562257bf

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$\Delta\sigma^i_{HB}$ in Eq \ref{eqn:procs} is the effect of hydrogen bonding to the amide H ($\Delta\sigma^i_{1^\circ HB}$) and O ($\Delta\sigma^i_{2^\circ HB}$) atoms of residue $i$ on the chemical shielding of the backbone atoms (i.e. this (this  term is zero for C$\beta$) \begin{equation}  \label{eqn:sigmahb}  \Delta \sigma^i_{HB}=\Delta\sigma^i_{1^\circ HB}(r_{\mathrm{HO}},\theta,\rho)+\Delta\sigma^i_{2^\circ HB}(r_{\mathrm{OH}},\theta_{\mathrm{O}},\rho_{\mathrm{O}})