Dear Tao,

Once you get assignments done, you can use xf to generate distance constraints to run structure calculation. I have to check minimum sequence length required by Ponderosa, but definitely you can run CNS, Xplor-NIH or CYANA. About assignment strategy, I hope someone will give you a hint. Starting from amino acid with special characteristics like Set, Thr, Gly, Ala may work I guess.

Best,
Woonghee

On Jan 27, 2016 8:14 AM, thuangsh@... [nmr_sparky] nmr_sparky@yahoogroups.com wrote:

 

Dear All,

I am new to NMR and have little experience on calculating the solution stucture of protein and peptide.

Now I have the raw spectrum of H-H NOESY and TOCSY (Bruker 2rr file) of a short peptide (10 aa in total). However, I have no idea on how to assign peaks and calculate the solution structure of this pepide with NMRFAM-SPARKY. Could anyone give me any suggestions on this topic?

Many thanks Best regards,

Tao