Transferring peak assignments to amino acid-labeled HSQCs

I received a peaklist with assignments from a separate project, and am trying to connect those assignments to peaks I selected in amino acid selectively labeled HSQCs of the same enzyme. How would I go about connecting those assignments from the ubiquitously labeled sample’s HSQC to the selectively labeled samples’ HSQCs?

Hi Nathan,

lots of ways you could do this. I’m assuming you already have the peak list you were given in your V3 project?
In that case, all the assignments should be present as NmrAtoms. Your options for transferring the assignments include the following:

  1. Peak pick your new HSQCs, open the Peak Assigner (AP) and then for each peak the closest assignments (based on ChemShift) should be visible and you can make the assignments by double clicking the correct assignment in the Alternatives box (see Using the Peak Assigner for more info on the Peak Assigner).

  2. Drag the fully assigned peak list into a selectively labelled HSQC in order to copy the peaks over (see Copy Peak List for more info on copying peak lists in V3.1). I would select to snap and refit the peaks as you do this. Then simply delete the peaks which are not present in your new selectively labelled spectrum.

  3. Peak pick the new HSQCs, overlay the fully assigned peak list and then copy the assignments one by one with this macro: Copy Assignments macro which you can easily associate with a keyboard shortcut (see Running Macros for more information on using macros).

  4. Write a macro which will automatically copy (plus snap and refit) the peaks from the full peaklist to the other peaklists, but only for the Amino Acids that are labelled. A fun thing to do if you enjoy writing macros or want to get into that kind of thing. See our Macro Writing Tutorial at Tutorials - CCPN - Collaborative Computing Project for NMR for more information on getting started with macro writing. Obviously we’re happy to help out if you have any questions or get stuck with this.

As for getting the peak list from one project into another - easiest to do this with NEF file export/import.

Best wishes,