Backbone Coupling Constants and Fitting for Phi Angle

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

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!).