Exporting Chemical Shifts for Print


I would like to include a table of amino acid assignments in an appendix in my dissertation. I’m using CCPN Analysis Assign v3.1.3 and I’ve exported the NEF file like the tutorial showed me, but this gives a two-column table, one column for the atom, one for the chemical shift. So that the table isn’t horribly long (my protein is 494 residues), I’d like to be able to format the table with five columns (residue, 1H shift, 15N shift, C alpha shift, C beta shift), similar to how Sparky exports chemical shift lists. Is there a quicker way to do this? Please say yes.

Thank you!

Alaina, University of Michigan

Hi Alaina,

I think @ElizaP has a provisional macro that will do this - I think she may have sent you a direct message about it already?
Shouldn’t be long before the macro will be available directly within the program. It will provide various tables with assignment statistics and summary tables.