NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	3409	1dox	cing	1-original	6	XPLOR/CNS	dihedral angle

!!!! DIHEDRAL ANGLES


!! From FdI Aphanothece sacrum a 2.2 A resolution/Tsukihara
!! J.Mol.Biol. 1990 V. 216 399.Average values.
!! Alpha helix from nmr data

!!cysteines cluster
  !! Cys 39
 assign  (resid   39 and name n)     (resid   39 and name ca ) 
         (resid   39 and name cb)   (resid   39 and name sg  )  1.0 66.0 40.0 2
 !! Cys 44
 assign  (resid   44 and name n)     (resid   44 and name ca ) 
         (resid   44 and name cb)   (resid   44 and name sg  )  1.0 90.0 40.0 2
 !! Cys 47
 assign  (resid   47 and name n)     (resid   47 and name ca ) 
         (resid   47 and name cb)   (resid   47 and name sg  )  1.0 68.0 40.0 2
 !! Cys 77
 assign  (resid   77 and name n)     (resid   77 and name ca ) 
         (resid   77 and name cb)   (resid   77 and name sg  )  1.0 69.0 40.0 2

!! Cys 39
 assign  (resid   39 and name ca)    (resid   39 and name cb ) 
         (resid   39 and name sg)    (resid   97 and name FE1  )  1.0 -43.0 40.0 2
!! Cys 44
 assign  (resid   44 and name ca)    (resid   44 and name cb ) 
         (resid   44 and name sg)    (resid   97 and name FE1  )  1.0 -69.0 40.0 2
!! Cys 47
 assign  (resid   47 and name ca)    (resid   47 and name cb ) 
         (resid   47 and name sg)    (resid   97 and name FE2  )  1.0 -124.0 40.0 2
!! Cys 77
 assign  (resid   77 and name ca)     (resid   77 and name cb ) 
        (resid   77 and name sg)     (resid   97 and name FE2  )  1.0 -115.0 40.0 2 

!! CLUSTER
  !!    Ser 38
 assign (resid   37 and name c)   (resid   38 and name n ) 
        (resid   38 and name ca)   (resid   38 and name c  )  1.0 -123.0 40.0 2
  !!    Cys 39 
 assign (resid   38 and name c)   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c  )  1.0 -66.0 40.0 2
  !!    Ala 43 
 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c  )  1.0 -111.0 40.0 2
  !!    Cys 44 
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c  )  1.0 -152.0 40.0 2
  !!    Ser 45 
 assign (resid   44 and name c )   (resid   45 and name n ) 
        (resid   45 and name ca)   (resid   45 and name c  )  1.0 -113.0 40.0 2
  !!    Thr 46 
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c  )  1.0 -51.0 40.0 2
  !!    Cys 47
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c  )  1.0 -92.0 40.0 2
  !!    Leu 75
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c  )  1.0 -106.0 40.0 2
  !!    Thr 76 
 assign (resid   75 and name c )   (resid   76 and name n ) 
        (resid   76 and name ca)   (resid   76 and name c  )  1.0 -54.0 40.0 2
  !!    Cys 77
 assign (resid   76 and name c )   (resid   77 and name n ) 
        (resid   77 and name ca)   (resid   77 and name c  )  1.0 -91.0 40.0 2
  !!    Val 78 
 assign (resid   77 and name c )   (resid   78 and name n ) 
        (resid   78 and name ca)   (resid   78 and name c  )  1.0 -127.0 40.0 2

!! Psi restraints
!!    Ser 38
 assign (resid   38 and name n)   (resid   38 and name ca ) 
        (resid   38 and name c)   (resid   39 and name n  )  1.0 -88.0 40.0 2
!!    Cys 39
 assign (resid   39 and name n)   (resid   39 and name ca ) 
        (resid   39 and name c)   (resid   40 and name n  )  1.0 -18.0 40.0 2
!!    Ala 43
 assign (resid   43 and name n)   (resid   43 and name ca ) 
        (resid   43 and name c)   (resid   44 and name n  )  1.0 17.0 40.0 2
!!    Cys 44
 assign (resid   44 and name n)   (resid   44 and name ca ) 
        (resid   44 and name c)   (resid   45 and name n  )  1.0 -153.0 40.0 2
!!    Ser 45
 assign (resid   45 and name n)   (resid   45 and name ca ) 
        (resid   45 and name c)   (resid   46 and name n  )  1.0 0.6 40.0 2
!!    Thr 46
 assign (resid   46 and name n)   (resid   46 and name ca ) 
        (resid   46 and name c)   (resid   47 and name n  )  1.0 -43.0 40.0 2
!!    Cys 47
 assign (resid   47 and name n)   (resid   47 and name ca ) 
        (resid   47 and name c)   (resid   48 and name n  )  1.0 24.0 40.0 2
!!    Leu 75
 assign (resid   75 and name n)   (resid   75 and name ca ) 
        (resid   75 and name c)   (resid   76 and name n  )  1.0 100.0 40.0 2
!!    Thr 76
 assign (resid   76 and name n)   (resid   76 and name ca ) 
        (resid   76 and name c)   (resid   77 and name n  )  1.0 -30.0 40.0 2
!!    Cys 77
 assign (resid   77 and name n)   (resid   77 and name ca ) 
        (resid   77 and name c)   (resid   78 and name n  )  1.0 -23.0 40.0 2
!!    Val 78
 assign (resid   78 and name n)   (resid   78 and name ca ) 
        (resid   78 and name c)   (resid   79 and name n  )  1.0 24.0 40.0 2


!!Phi

!! 24
assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c  )  1.0 -58.0 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 -58.0 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 -58.0 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 -58.0 40.0 2
!! 28
assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c  )  1.0 -58.0 40.0 2
!! 29
assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c  )  1.0 -58.0 40.0 2

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