BMRB Chemical Shift List to Peak list

Hi There!

I know that the software is currently limited to HN spectra in terms of converting chemical shift lists to peak lists. However, I was wondering if there is any way to get around that for solid-state spectrums that are like NCACX, NCOCX, and CANCO. Even if it is a bit more on the manual side, I would appreciate having some sort of way of applying BMRB shifts onto our spectra.

Thank you so much!


I’ve implemented these three experiments for you. I’ll let you know once they are on the update server - hopefully @ejb will be able to do this by the end of the day.
The only complication is with the NCACX and NCOCX spectra: for the time being these are just the “relayed” versions, i.e. you only get the intra-residue CA-CX or CO-CX peaks. Will that be sufficient?


Hi Vicky!

Ah! That is far more than I was expecting! Thank you so much! As for the complication, does that mean there won’t be a nitrogen dimension, or does it instead mean that all the peaks are contained within a residue, so no CA-1 for example?

Either way, a complication is much nicer to deal with than having nothing to work with at all. Again, thank you so much!

There will be a nitrogen dimension, but it will be like having a short mixing time, so you only see links within the residue and no i +/- 1 links.


Oh that’s no problem at all for now! Thank you!


the NCACX, NCOCX and CANCO are now on the update server. Sorry it took a while - I thought they were already up and then only yesterday realised that wasn’t the case.

Any problems, let me know. Be aware that the NCACX and NCOCX can be a bit slow to create (I think the algorithm is basically a bit inefficient, but a speed-up will have to wait till we implement a more general Peak List Simulation feature).