Dear Users,
I have a 2D (z-TOCSY) NMR of my peptide (a 12-mer). I want to calculate the dihedral angles using the 3J H-Ha coupling values I found out from my 1D proton NMR.
I tried to create a new experiment H{[N]+[HA]} with my TOCSY uscf, and I copied all my assignments to this new experiment.
I tried to initialize root resonances and pick & assign from roots. I could not do it. It seems it need N15 2D NMR for that. Is that right? Why am I unable to pick peaks and derive a dihedral angle? I tried to read the posts on this forum and the explanation provided on the CCPNMR to calculate dihedral angles from 3J H-HA coupling, but it did not help. I am confused and a little frustrated with the problems I am encountering while trying to calculate the dihedrals.
Can anyone please help me? I think some of you must have used 2D proton Z-TOCSY spectra to derive the dihedral angles. It is very critical for me to calculate these dihedral angles to validate the dihedral angles I got through DANGLE in CYANA.
I will be extremely grateful to you all if you can reply back.
Best Regards,
Ankur Jalan
Graduate Student
Organic Chemistry
BYU, Provo, USA
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