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
	27815	2rps	11054	cing	1-original	2	XPLOR/CNS	dihedral angle

set message=off echo=off end
restraints dihedral reset
!! restraints 1 C (kcal/molrad), 2 angle, 3 angle range, 4 exponent

!Q3 7.3 Hz
assign (resid  2 and name    C) (resid  3 and name    N)
       (resid  3 and name   CA) (resid  3 and name    C)  1.0  -90.0   90.0 2

!I4 7.7 Hz
assign (resid  3 and name    C) (resid  4 and name    N)
       (resid  4 and name   CA) (resid  4 and name    C)  1.0  -90.0   90.0 2

!L5 7.3 Hz
assign (resid  4 and name    C) (resid  5 and name    N)
       (resid  5 and name   CA) (resid  5 and name    C)  1.0  -90.0   90.0 2

!R6 7.6 Hz
assign (resid  4 and name    C) (resid  5 and name    N)
       (resid  5 and name   CA) (resid  5 and name    C)  1.0  -90.0   90.0 2

!C7 6.8 Hz
assign (resid  6 and name    C) (resid  7 and name    N)
       (resid  7 and name   CA) (resid  7 and name    C)  1.0  -120.0   40.0 2

!P8 

!D9 3.2 Hz
assign (resid  8 and name    C) (resid  9 and name    N)
       (resid  9 and name   CA) (resid  9 and name    C)  1.0  -60.0   40.0 2

!G10 5.2 Hz & 7.7 Hz
!assign (resid  9 and name    C) (resid 10 and name    N)
!       (resid 10 and name   CA) (resid 10 and name    C)  1.0  -120.0   40.0 2

!M11 9.0 Hz
assign (resid 10 and name    C) (resid 11 and name    N)
       (resid 11 and name   CA) (resid 11 and name    C)  1.0  -120.0   40.0 2

!Q12 8.8 Hz
assign (resid 11 and name    C) (resid 12 and name    N)
       (resid 12 and name   CA) (resid 12 and name    C)  1.0  -120.0   40.0 2

!M13 7.1 Hz
assign (resid 12 and name    C) (resid 13 and name    N)
       (resid 13 and name   CA) (resid 13 and name    C)  1.0  -60.0    40.0 2

!L14 8.0 Hz
assign (resid 13 and name    C) (resid 14 and name    N)
       (resid 14 and name   CA) (resid 14 and name    C)  1.0  -120.0   40.0 2

!R15 3.0 Hz 
assign (resid 14 and name    C) (resid 15 and name    N)
       (resid 15 and name   CA) (resid 15 and name    C)  1.0  -60.0   40.0 2

!S16 5.5 Hz
assign (resid 15 and name    C) (resid 16 and name    N)
       (resid 16 and name   CA) (resid 16 and name    C)  1.0  -60.0   40.0 2

!G17 4.5 Hz & 7.8 Hz 
!assign (resid 16 and name    C) (resid 17 and name    N)
!       (resid 17 and name   CA) (resid 17 and name    C)  1.0  -120.0   40.0 2

!Q18 7.1 Hz
assign (resid 17 and name    C) (resid 18 and name    N)
       (resid 18 and name   CA) (resid 18 and name    C)  1.0  -60.0   40.0 2

!C19 8.2 Hz
assign (resid 18 and name    C) (resid 19 and name    N)
       (resid 19 and name   CA) (resid 19 and name    C)  1.0  -120.0   40.0 2

!V20 8.8 Hz
assign (resid 19 and name    C) (resid 20 and name    N)
       (resid 20 and name   CA) (resid 20 and name    C)  1.0  -120.0   40.0 2

!A21 5.3 Hz
assign (resid 19 and name    C) (resid 20 and name    N)
       (resid 20 and name   CA) (resid 20 and name    C)  1.0  -60.0   40.0 2

!T22 6.4 Hz
assign (resid 21 and name    C) (resid 22 and name    N)
       (resid 22 and name   CA) (resid 22 and name    C)  1.0  -60.0   30.0 2

!T23 8.3 Hz
assign (resid 22 and name    C) (resid 23 and name    N)
       (resid 23 and name   CA) (resid 23 and name    C)  1.0  -120.0   40.0 2

!Y24 6.6 Hz
assign (resid 23 and name    C) (resid 24 and name    N)
       (resid 24 and name   CA) (resid 24 and name    C)  1.0  -60.0   40.0 2

!P25

!P26

!F27 6.3 Hz
!assign (resid 26 and name    C) (resid 27 and name    N)
!       (resid 27 and name   CA) (resid 27 and name    C)  1.0  -120.0   40.0 2

!D28 7.4
!assign (resid 27 and name    C) (resid 28 and name    N)
!       (resid 28 and name   CA) (resid 28 and name    C)  1.0  -120.0   40.0 2
!P29 

!D30 7.1 Hz
!assign (resid 30 and name    C) (resid 31 and name    N)
!       (resid 31 and name   CA) (resid 31 and name    C)  1.0  -120.0   40.0 2

!S31 7.6 Hz
!assign (resid 30 and name    C) (resid 31 and name    N)
!       (resid 31 and name   CA) (resid 31 and name    C)  1.0  -120.0   40.0 2

!AGF Y32 8.1 Hz 
!assign (resid 31 and name    C) (resid 32 and name    N)
!       (resid 32 and name   CA) (resid 32 and name    C)  1.0  -120.0   40.0 2

end

set message=on echo=on end


set message=off echo=off end

Contact the webmaster for help, if required. Saturday, June 1, 2024 2:27:53 AM GMT (wattos1)