NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6503 |
1j5m   |
4725 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!!
!! Phi restraints: minimum deviation = 30 degrees
!! Only residues with JHNA > 9 Hz or JHNA <5.5 Hz are restrained
!betan domain
!! 7
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 30.0 2
!! 8
assign (resid 7 and name c ) (resid 8 and name n )
(resid 8 and name ca) (resid 8 and name c ) 1.0 -120.0 40.0 2
!! 10
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 30.0 2
!! 12
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
!! 13
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -120.0 40.0 2
!! 17
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
!! 20
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 30.0 2
!! 21
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -120.0 30.0 2
!! 23
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
!! 24
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -120.0 40.0 2
!! 25
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -120.0 40.0 2
!! 26
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -120.0 40.0 2
!! 27
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
!!chi restraints: minimum deviation = 30 degrees
!!4
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name sg) 1.0 60 30.0 2
!!7
assign (resid 7 and name n) (resid 7 and name ca)
(resid 7 and name cb) (resid 7 and name cg) 1.0 -60 30 2
!!9
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name sg) 1.0 180 30.0 2
!!11
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name sg) 1.0 180 30.0 2
!!16
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name sg) 1.0 -60 30.0 2
!!20 careful (60 deg ?)!!!
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name cb) (resid 20 and name sg) 1.0 180.0 30.0 2
!!22
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name sg) 1.0 180.0 30.0 2
!!24
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name og) 1.0 -60.0 30.0 2
!!25
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name cb) (resid 25 and name sg) 1.0 60.0 30.0 2
!!27
assign (resid 27 and name n) (resid 27 and name ca)
(resid 27 and name cb) (resid 27 and name sg) 1.0 180.0 30.0 2
!!metal chi2 cluster restraints
!!9
assign (resid 9 and name ca) (resid 9 and name cb)
(resid 9 and name sg) (resid 29 and name kr1) 1.0 60.0 50.0 2
!!20
assign (resid 20 and name ca) (resid 20 and name cb)
(resid 20 and name sg) (resid 30 and name kr2) 1.0 60.0 50.0 2
!!22
assign (resid 22 and name ca) (resid 22 and name cb)
(resid 22 and name sg) (resid 29 and name kr1) 1.0 180.0 50.0 2
!!27
assign (resid 27 and name ca) (resid 27 and name cb)
(resid 27 and name sg) (resid 31 and name kr3) 1.0 60.0 50.0 2
end
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