deletions | additions       diff --git a/begin_table_label_table_vsexp__.tex b/begin_table_label_table_vsexp__.tex  index 8886078..8b7e0d9 100644  --- a/begin_table_label_table_vsexp__.tex  +++ b/begin_table_label_table_vsexp__.tex 
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\begin{table}  \label{table:vsexp}  \caption{Comparison of chemical shifts predicted using various methods  to experimental values. Computed values measured for ubiquitin and GB3 and corrected for random coil effects. The RMSD values are computed after linear regression. The predictions are done  using Charmm22cmap CHARMM22/CMAP  optimized structuresunless otherwise noted. Outliers have not been removed. $^a$Computed  using the GB/SA solvation model except for the first two rows (marked with $^a$) which where  PM6-D3H+ optimized structures} structures using the CPCM solvation model are used.}  \begin{center}  \begin{tabular}{ l c c c c c c }  \hline  & C$\alpha$ & C$\beta$ & C' & H$\alpha$ & H$^\text{N}$ & N \\ \hline  & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) & RMSD (\textit{r}) \\  Ubiquitin \textbf{Ubiquitin}  & & & & & & \\ DFT$^a$ & 2.1 (0.62) & 2.8 (0.56) & 1.7 (0.86) & 0.4 (0.82) & 0.6 (0.81) & 4.1 (0.77) \\  ProCS15$^a$ & 2.0 (0.57) & 2.2 (0.52) & 1.8 (0.92) & 0.4 (0.84) & 0.6 (0.89) & 4.4 (0.85) \\  ProCS15 & 1.7 (0.70) & 2.0 (0.50) & 1.7 (0.81) & 0.4 (0.77) & 0.6 (0.72) & 4.0 (0.79) \\ 
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Sparta+ & 0.7 (0.93) & 1.1 (0.82) & 0.8 (0.88) & 0.2 (0.91) & 0.4 (0.72) & 2.2 (0.81) \\  Shaic & 0.7 (0.94) & 1.1 (0.82) & 0.8 (0.89) & 0.3 (0.84) & 0.5 (0.71) & 2.3 (0.79) \\  ShiftX2 & 0.5 (0.97) & 0.7 (0.91) & 0.5 (0.96) & 0.1 (0.98) & 0.3 (0.91) & 1.8 (0.88) \\  Protein G \textbf{GB3}  & & & & & & \\ DFT$^a$ & 2.1 (0.71) & 2.4 (0.53) & & 0.4 (0.76) & 0.6 (0.87) & 4.6 (0.78) \\  ProCS15$^a$ & 1.7 (0.71) & 2.1 (0.42) & & 0.4 (0.76) & 0.7 (0.93) & 4.7 (0.86) \\  ProCS15 & 1.6 (0.70) & 2.0 (0.42) & & 0.3 (0.85) & 0.6 (0.76) & 4.3 (0.86) \\ 
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