NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type

15744 1ywj 6558 cing 1-original 3 XPLOR/CNS dihedral angle


!dihedral restraints from chemical shifts

! CSI restraints, converted by ARIA
! Phi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived phi restraint:
assign (resid 16 and name C)
       (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 17 and name C)
       (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 18 and name C)
       (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 19 and name C)
       (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 25 and name C)
       (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 26 and name C)
       (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 27 and name C)
       (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 28 and name C)
       (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 29 and name C)
       (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 35 and name C)
       (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 36 and name C)
       (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 37 and name C)
       (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 38 and name C)
       (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       1.0 -135  30 2

! CSI derived phi restraint:
assign (resid 39 and name C)
       (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       1.0 -135  30 2



! Psi:

! dihedral angle file generated by Csi2Aria.py

! CSI derived psi restraint:
assign (resid 17 and name N)
       (resid 17 and name CA)
       (resid 17 and name C)
       (resid 18 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 18 and name N)
       (resid 18 and name CA)
       (resid 18 and name C)
       (resid 19 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 19 and name N)
       (resid 19 and name CA)
       (resid 19 and name C)
       (resid 20 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 20 and name N)
       (resid 20 and name CA)
       (resid 20 and name C)
       (resid 21 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 26 and name N)
       (resid 26 and name CA)
       (resid 26 and name C)
       (resid 27 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 27 and name N)
       (resid 27 and name CA)
       (resid 27 and name C)
       (resid 28 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 28 and name N)
       (resid 28 and name CA)
       (resid 28 and name C)
       (resid 29 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 29 and name N)
       (resid 29 and name CA)
       (resid 29 and name C)
       (resid 30 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 30 and name N)
       (resid 30 and name CA)
       (resid 30 and name C)
       (resid 31 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 36 and name N)
       (resid 36 and name CA)
       (resid 36 and name C)
       (resid 37 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 37 and name N)
       (resid 37 and name CA)
       (resid 37 and name C)
       (resid 38 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 38 and name N)
       (resid 38 and name CA)
       (resid 38 and name C)
       (resid 39 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 39 and name N)
       (resid 39 and name CA)
       (resid 39 and name C)
       (resid 40 and name N)
       1.0 135  30 2

! CSI derived psi restraint:
assign (resid 40 and name N)
       (resid 40 and name CA)
       (resid 40 and name C)
       (resid 41 and name N)
       1.0 135  30 2

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Wednesday, May 29, 2024 12:23:59 AM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	15744	1ywj	6558	cing	1-original	3	XPLOR/CNS	dihedral angle