Example use of ATB CYANA library files.
NCAA
- For non-canonical amino acids (not including aliphatic rings)
NCAA_w_restraints
- For non-canonical amino acids, including aliphatic rings which require a restraint files to join the ring
Terminal_NCAA
- For N- and C-terminal amino acids
NCAA_BB_cycle
- Files required for the cyclisation of a peptide through a backbone peptide bond
CCP NMR Instructions: Instruction-CCPNMR_V2-ArgMe-example.pdf
Overview of CYANA: http://www.nmr2.buffalo.edu/nesg.wiki/CYANA#CYANA_3.0
CYANA reference manual: http://www.cyana.org/wiki/index.php/CYANA_3.0_Reference_Manual
CYLIB reference: Yilmaz EM, Güntert P. NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary. J Biomol NMR. 2015 Sep;63(1):21-37. doi: 10.1007/s10858-015-9959-y. Epub 2015 Jun 30. PMID: 26123317.