deletions | additions       diff --git a/In_the_case_of_CA__.tex b/In_the_case_of_CA__.tex  index d25b517..d7751d3 100644  --- a/In_the_case_of_CA__.tex  +++ b/In_the_case_of_CA__.tex 
...
For CB removing $\Delta \sigma_{1^\circ H\alpha B}^i$ decreases the RMSD by 0.2 - 0.5 ppm, while $\Delta \sigma_{BB}^{i-1}$ and $\Delta \sigma_{BB}^{i+1}$ increases and decreases the RMSD value depending on the protein. Accordingly only $\Delta \sigma_{1^\circ H\alpha B}^i$ is removed. Note that the structural models used for $\Delta \sigma_{1^\circ HB}^i$ and $\Delta \sigma_{2^\circ HB}^i$ do not contain a CB so there is no such contribution for this nucleus.  For C removing $\Delta \sigma_{1^\circ H B}^i$ decreases the RMSD for 2OED by 0.1 so we choose to remove this term for this atom type. Note that removing $\Delta \sigma_{2^\circ H\alpha B}^i$ increases the RMSD by 0.4 - 0.6 so this term is important for accurate predictions of C chemical shifts.  For H and HA we choose to retain all the terms. Not surprisingly, the respective primary hydrogen bonding terms lower the RMSD by 0.4 - 0.6 ppm and are crucial for accurate predictions.