Add prolines in my NMR chain


I’ve got the bacbone assigned and so my NmrChain. However, I do not see the prolines assigned. Of course it has something to do with the lack of an amide proton in prolines. The thing is that I do not know how to tell the software that I want to have the prolines in my nmrchain. I am currently assigning carbons from the sidechain using TOCSY experiments.

Thank you,


Hi Alex,

you can add any NmrAtom of your choice to your NmrChain at any time in several ways. One way is to use the sidebar. Double-click on and enter the chain (probably A), the sequence code for the proline and then PRO for the residue type.

Then within the NmrResidue you can double click on and enter the atom name, e.g. CA. You can also enter the isotopeCode if you like, though that should set itself automatically as soon as you assign a peak to this NmrAtom.
Screenshot 2022-01-31 at 09.59.51

The alternative way to do do things is to add the NmrAtom “on the fly” as it were. So basically if you have a peak and know that it belongs to, e.g. Proline 23 CD, then you can use the PeakAssigner to make the assignment. Obviously you won’t have A.23.PRO.CD as an option, simply enter this into the boxes and then click on Assign. The NmrAtom (and Residue) will be created automatically at the same time as your peak assignment is made.

It can be useful to remember that NmrAtoms are basically just peak labels. You can create them in advance of using them, or simply create them as you need them in your project - entirely up to you.


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