Large shift difference in Ca atoms

Analysis Version 3
1

Hi,

I am assigning my protein and in some cases I have a large difference between CA positions of peaks and what CCPN is telling me the CA of that atom is. I assume it is because somewhere I have misassigned a peak, but I can’t figure out a way for it to tell me all the peaks that have been assigned to a particular residue so I can inspect them and the ‘misassigned’ peak that is causing the large delta value.

Is there an easy way to do this?

Thank you,

Kirsten

2

Hi Kirsten,

use the Assignment Inspector for this: Main Menu → Assign → Assignment Inspector or shortcut AI.

The top gives you a Chemical Shift List and you can easily sort by Error which will show you the NmrAtoms/Chemical Shifts where there is a problem. Click on that row and then you get all the peaks from that NmrResidue in the table below. On the left you can then filter the table by NmrAtom (e.g. the CA in your case).

Double-clicking on a peak in the peakTable should navigate to that peak in the spectra (check the Assignment Inspector Settings if necessary). To change any incorrect assignments, open the PeakAssigner (AP) and make the necessary adjustments to your assignments.

Vicky

3

Thank you Vicky, that is really helpful!

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