Backbone Coupling Constants and Fitting for Phi Angle

Analysis Version 3
#1

We have run an HNHA experiment with a 15N-labelled peptide to measure Phi angles. I seem to remember there was a way to fit the Phi angle using the intensities of the ‘HA’ and Diagonal peaks in V2. Is this possible in V3?

Best, Mark

#2

Hi Mark,

I’m afraid this isn’t possible in V3 yet.
Details for how to do it in V2 are available at Biomolecular NMR Wiki - Calculate 3J H-Ha coupling constants .
It should probably be quite easy to switch back to V2 to do this - export your project as a NEF file including CCPN tags and then read that into V2 (Project / Load NEF I think). If your project is very large, you could probably even export quite a minimal NEF file in which you include only the Chain, ChemicalShiftList, NmrChain and the HNHA PeakList (but you do have to include CCPN tags!).

Vicky