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
26713 2o32 15081 cing 1-original 2 XPLOR/CNS dihedral angle



{Backbone torsion angle dihedral restraints}

 assign (resi   1 and name O5'  )
        (resi   1 and name C5'  )
        (resi   1 and name C4'  )
        (resi   1 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   1 and name C5'  )
        (resi   1 and name C4'  )
        (resi   1 and name C3'  )
        (resi   1 and name O3'  )   1.0   83.13   30.0  2 {*delta*}

assign (resi   1 and name C4'  )
        (resi   1 and name C3'  )
        (resi   1 and name O3'  )
        (resi   2 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   1 and name C3'  )
        (resi   1 and name O3'  )
        (resi   2 and name P    )
        (resi   2 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

assign (resi   1 and name O3'  )
        (resi   2 and name P    )
        (resi   2 and name O5'  )
        (resi   2 and name C5'  )   1.0   -62.1    30.0  2 {*alpha*}

 assign (resi   2 and name P    )
        (resi   2 and name O5'  )
        (resi   2 and name C5'  )  
        (resi   2 and name C4'  )   1.0   -179.9   15.0  2 {*beta*}
 

 assign (resi   2 and name O5'  )
        (resi   2 and name C5'  )
        (resi   2 and name C4'  )
        (resi   2 and name C3'  )   1.0   47.12    15.0  2 {*gamma*}
 
assign (resi   2 and name C5'  )
       (resi   2 and name C4'  )
       (resi   2 and name C3'  )
        (resi   2 and name O3'  )   1.0   83.13    15.0  2 {*delta*}

assign (resi   2 and name C4'  )
        (resi   2 and name C3'  )
        (resi   2 and name O3'  )
        (resi   3 and name P    )   1.0   -151.7   15.0  2 {*epsilon*}

 assign (resi   2 and name C3'  )
        (resi   2 and name O3'  )
        (resi   3 and name P    )
        (resi   3 and name O5'  )   1.0   -73.6    15.0  2 {*zeta*}

assign (resi   2 and name O3'  )
        (resi   3 and name P    )
        (resi   3 and name O5'  )
        (resi   3 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*}

 assign (resi   3 and name P    )
        (resi   3 and name O5'  )
        (resi   3 and name C5'  )
        (resi   3 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   3 and name O5'  )
        (resi   3 and name C5'  )
        (resi   3 and name C4'  )
        (resi   3 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   3 and name C5'  )
        (resi   3 and name C4'  )
        (resi   3 and name C3'  )
        (resi   3 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   6 and name P    )
        (resi   6 and name O5'  )
        (resi   6 and name C5'  )
        (resi   6 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   6 and name O5'  )
        (resi   6 and name C5'  )
        (resi   6 and name C4'  )
        (resi   6 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   6 and name C5'  )
        (resi   6 and name C4'  )
        (resi   6 and name C3'  )
        (resi   6 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   6 and name C4'  )
        (resi   6 and name C3'  )
        (resi   6 and name O3'  )
        (resi   7 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   6 and name C3'  )
        (resi   6 and name O3'  )
        (resi   7 and name P    )
        (resi   7 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

 assign (resi   6 and name O3'  )
        (resi   7 and name P    )
        (resi   7 and name O5'  )
        (resi   7 and name C5'  )   1.0   -62.1    15.0  2 {*alpha*}

 assign (resi   7 and name P    )
        (resi   7 and name O5'  )
        (resi   7 and name C5'  )
        (resi   7 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   7 and name O5'  )
        (resi   7 and name C5'  )
        (resi   7 and name C4'  )
        (resi   7 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   7 and name C5'  )
        (resi   7 and name C4'  )
        (resi   7 and name C3'  )
        (resi   7 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

 assign (resi   7 and name C4'  )
        (resi   7 and name C3'  )
        (resi   7 and name O3'  )
        (resi   8 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   7 and name C3'  )
        (resi   7 and name O3'  )
        (resi   8 and name P    )
        (resi   8 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}
 
 assign (resi   7 and name O3'  )
        (resi   8 and name P    )
        (resi   8 and name O5'  )
        (resi   8 and name C5'  )   1.0   -62.1    15.0  2 {*alpha*}

 assign (resi   8 and name P    )
        (resi   8 and name O5'  )
        (resi   8 and name C5'  )
        (resi   8 and name C4'  )   1.0   -179.9   30.0  2 {*beta*}

 assign (resi   8 and name O5'  )
        (resi   8 and name C5'  )
        (resi   8 and name C4'  )
        (resi   8 and name C3'  )   1.0   47.12    30.0  2 {*gamma*}

 assign (resi   8 and name C5'  )
        (resi   8 and name C4'  )
        (resi   8 and name C3'  )
        (resi   8 and name O3'  )   1.0   83.13    30.0  2 {*delta*}

 assign (resi   13 and name P    )
        (resi   13 and name O5'  )
        (resi   13 and name C5'  )
        (resi   13 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   13 and name O5'  )
        (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   13 and name C5'  )
        (resi   13 and name C4'  )
        (resi   13 and name C3'  )
        (resi   13 and name O3'  )   1.0   83.13   30.0  2 {*delta*}

assign (resi   13 and name C4'  )
        (resi  13 and name C3'  )
        (resi  13 and name O3'  )
        (resi  14 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   13 and name C3'  )
        (resi   13 and name O3'  )
        (resi   14 and name P    )
        (resi   14 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

assign  (resi   13 and name O3'  )
        (resi   14 and name P    )
        (resi   14 and name O5'  )
        (resi   14 and name C5'  )   1.0   -62.1   30.0  2 {*alpha*}

 assign (resi   14 and name P    )
        (resi   14 and name O5'  )
        (resi   14 and name C5'  )
        (resi   14 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   14 and name O5'  )
        (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   14 and name C5'  )
        (resi   14 and name C4'  )
        (resi   14 and name C3'  )
        (resi   14 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   14 and name C4'  )
        (resi  14 and name C3'  )
        (resi  14 and name O3'  )
        (resi  15 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   14 and name C3'  )
        (resi   14 and name O3'  )
        (resi   15 and name P    )
        (resi   15 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

assign  (resi   14 and name O3'  )
        (resi   15 and name P    )
        (resi   15 and name O5'  )
        (resi   15 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*}

 assign (resi   15 and name P    )
        (resi   15 and name O5'  )
        (resi   15 and name C5'  )
        (resi   15 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   15 and name O5'  )
        (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   15 and name C5'  )
        (resi   15 and name C4'  )
        (resi   15 and name C3'  )
        (resi   15 and name O3'  )   1.0   83.13   15.0  2 {*delta*}


 assign (resi   18 and name P    )
        (resi   18 and name O5'  )
        (resi   18 and name C5'  )
        (resi   18 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   18 and name O5'  )
        (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   18 and name C5'  )
        (resi   18 and name C4'  )
        (resi   18 and name C3'  )
        (resi   18 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

assign (resi   18 and name C4'  )
        (resi  18 and name C3'  )
        (resi  18 and name O3'  )
        (resi  19 and name P    )   1.0   -151.7  15.0  2 {*epsilon*}

 assign (resi   18 and name C3'  )
        (resi   18 and name O3'  )
        (resi   19 and name P    )
        (resi   19 and name O5'  )   1.0   -73.6   15.0  2 {*zeta*}

 assign (resi   18 and name O3'  )
        (resi   19 and name P    )
        (resi   19 and name O5'  )
        (resi   19 and name C5'  )   1.0   -62.1   15.0  2 {*alpha*} 

 assign (resi   19 and name P    )
        (resi   19 and name O5'  )
        (resi   19 and name C5'  )
        (resi   19 and name C4'  )   1.0   -179.9  15.0  2 {*beta*}

 assign (resi   19 and name O5'  )
        (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )   1.0   47.12   15.0  2 {*gamma*}

 assign (resi   19 and name C5'  )
        (resi   19 and name C4'  )
        (resi   19 and name C3'  )
        (resi   19 and name O3'  )   1.0   83.13   15.0  2 {*delta*}

 assign (resi   19 and name C4'  )
        (resi   19 and name C3'  ) 
        (resi   19 and name O3'  )
        (resi   20 and name P    )   1.0   -151.7  30.0  2 {*epsilon*}

 assign (resi   19 and name C3'  )
        (resi   19 and name O3'  )
        (resi   20 and name P    )
        (resi   20 and name O5'  )   1.0   -73.6   30.0  2 {*zeta*}

 assign (resi   19 and name O3'  )
        (resi   20 and name P    )
        (resi   20 and name O5'  )
        (resi   20 and name C5'  )   1.0   -62.1   30.0  2 {*alpha*}

 assign (resi   20 and name P    )
        (resi   20 and name O5'  )
        (resi   20 and name C5'  )
        (resi   20 and name C4'  )   1.0   -179.9  30.0  2 {*beta*}

 assign (resi   20 and name O5'  )
        (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )   1.0   47.12   30.0  2 {*gamma*}

 assign (resi   20 and name C5'  )
        (resi   20 and name C4'  )
        (resi   20 and name C3'  )
        (resi   20 and name O3'  )   1.0   83.13   30.0  2 {*delta*}


{*dihedral restraints for chi angle to specify syn or anti*}
 
 assign (resi  1 and name O4'  )
        (resi  1 and name C1'  )
        (resi  1 and name N1   )
        (resi  1 and name C4   )   1.0   -160.0 30.0  2 

 assign (resi  2 and name O4'  )
        (resi  2 and name C1'  )
        (resi  2 and name N1   )
        (resi  2 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  3 and name O4'  )
        (resi  3 and name C1'  )
        (resi  3 and name N1   )
        (resi  3 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  4 and name O4'  )
        (resi  4 and name C1'  )
        (resi  4 and name N1   )
        (resi  4 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  5 and name O4'  )
        (resi  5 and name C1'  )
        (resi  5 and name N9   )
        (resi  5 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  6 and name O4'  )
        (resi  6 and name C1'  )
        (resi  6 and name N9   )
        (resi  6 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  7 and name O4'  )
        (resi  7 and name C1'  )
        (resi  7 and name N1   )
        (resi  7 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  8 and name O4'  )
        (resi  8 and name C1'  )
        (resi  8 and name N1   )
        (resi  8 and name C4   )   1.0   -160.0 30.0  2 

 assign (resi  13 and name O4'  )
        (resi  13 and name C1'  )
        (resi  13 and name N9  )
        (resi  13 and name C4   )   1.0   -160.0  30.0  2 

 assign (resi  14 and name O4'  )
        (resi  14 and name C1'  )
        (resi  14 and name N9   )
        (resi  14 and name C4   )   1.0   -160.0  20.0  2 

 assign (resi  15 and name O4'  )
        (resi  15 and name C1'  )
        (resi  15 and name N1   )
        (resi  15 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  16 and name O4'  )
        (resi  16 and name C1'  )
        (resi  16 and name N1   )
        (resi  16 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  17 and name O4'  )
        (resi  17 and name C1'  )
        (resi  17 and name N9   )
        (resi  17 and name C4   )   1.0   -160.0  15.0  2 

 assign (resi  18 and name O4'  )
        (resi  18 and name C1'  )
        (resi  18 and name N9   )
        (resi  18 and name C4   )   1.0   -160.0 20.0  2 

 assign (resi  19 and name O4'  )
        (resi  19 and name C1'  )
        (resi  19 and name N9   )
        (resi  19 and name C4   )   1.0   -160.0 15.0  2 

 assign (resi  20 and name O4'  )
        (resi  20 and name C1'  )
        (resi  20 and name N9   )
        (resi  20 and name C4   )   1.0   -160.0 15.0  2 


{*dihedral angles v1 and v2 indicating North or South sugar*}
{*conformation - taken from 1'-2' couplings in VSI RNA*}

 assign (resi  2 and name O4'  )
        (resi  2 and name C1'  )
        (resi  2 and name C2'  )
        (resi  2 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  2 and name C1'  )
        (resi  2 and name C2'  )
        (resi  2 and name C3'  )
        (resi  2 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  3 and name O4'  )
        (resi  3 and name C1'  )
        (resi  3 and name C2'  )
        (resi  3 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  3 and name C1'  )
        (resi  3 and name C2'  )
        (resi  3 and name C3'  )
        (resi  3 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  4 and name O4'  )
        (resi  4 and name C1'  )
        (resi  4 and name C2'  )
        (resi  4 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  4 and name C1'  )
        (resi  4 and name C2'  )
        (resi  4 and name C3'  )
        (resi  4 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  5 and name O4'  )
        (resi  5 and name C1'  )
        (resi  5 and name C2'  )
        (resi  5 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  5 and name C1'  )
        (resi  5 and name C2'  )
        (resi  5 and name C3'  )
        (resi  5 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  6 and name O4'  )
        (resi  6 and name C1'  )
        (resi  6 and name C2'  )
        (resi  6 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  6 and name C1'  )
        (resi  6 and name C2'  )
        (resi  6 and name C3'  )
        (resi  6 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  7 and name O4'  )
        (resi  7 and name C1'  )
        (resi  7 and name C2'  )
        (resi  7 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  7 and name C1'  )
        (resi  7 and name C2'  )
        (resi  7 and name C3'  )
        (resi  7 and name C4'  )   1.0  37.0   15.0  2 {*North*}
 
 assign (resi  8 and name O4'  )
        (resi  8 and name C1'  )
        (resi  8 and name C2'  )
        (resi  8 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  8 and name C1'  )
        (resi  8 and name C2'  )
        (resi  8 and name C3'  )
        (resi  8 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  9 and name O4'  )
        (resi  9 and name C1'  )
        (resi  9 and name C2'  )
        (resi  9 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  9 and name C1'  )
        (resi  9 and name C2'  )
        (resi  9 and name C3'  )
        (resi  9 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  10 and name O4'  )
        (resi  10 and name C1'  )
        (resi  10 and name C2'  )
        (resi  10 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  10 and name C1'  )
        (resi  10 and name C2'  )
        (resi  10 and name C3'  )
        (resi  10 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  11 and name O4'  )
        (resi  11 and name C1'  )
        (resi  11 and name C2'  )
        (resi  11 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  11 and name C1'  )
        (resi  11 and name C2'  )
        (resi  11 and name C3'  )
        (resi  11 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  12 and name O4'  )
        (resi  12 and name C1'  )
        (resi  12 and name C2'  )
        (resi  12 and name C3'  )   1.0   25.0   15.0  2

 assign (resi  12 and name C1'  )
        (resi  12 and name C2'  )
        (resi  12 and name C3'  )
        (resi  12 and name C4'  )   1.0  -35.0   15.0  2 {*South*}

 assign (resi  13 and name O4'  )
        (resi  13 and name C1'  )
        (resi  13 and name C2'  )
        (resi  13 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  13 and name C1'  )
        (resi  13 and name C2'  )
        (resi  13 and name C3'  )
        (resi  13 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign  (resi  14 and name O4'  )
         (resi  14 and name C1'  )
         (resi  14 and name C2'  )
         (resi  14 and name C3'  )   1.0   -25.0  15.0  2

 assign  (resi  14 and name C1'  )
         (resi  14 and name C2'  )
         (resi  14 and name C3'  )
         (resi  14 and name C4'  )   1.0    37.0   15.0  2 {*North*}

 assign (resi  15 and name O4'  )
        (resi  15 and name C1'  )
        (resi  15 and name C2'  )
        (resi  15 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  15 and name C1'  )
        (resi  15 and name C2'  )
        (resi  15 and name C3'  )
        (resi  15 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign  (resi  16 and name O4'  )
         (resi  16 and name C1'  )
         (resi  16 and name C2'  )
         (resi  16 and name C3'  )   1.0   -25.0  15.0  2

 assign  (resi  16 and name C1'  )
         (resi  16 and name C2'  )
         (resi  16 and name C3'  )
         (resi  16 and name C4'  )   1.0    37.0   15.0  2 {*North*}

 assign (resi  17 and name O4'  )
        (resi  17 and name C1'  )
        (resi  17 and name C2'  )
        (resi  17 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  17 and name C1'  )
        (resi  17 and name C2'  )
        (resi  17 and name C3'  )
        (resi  17 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  18 and name O4'  )
        (resi  18 and name C1'  )
        (resi  18 and name C2'  )
        (resi  18 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  18 and name C1'  )
        (resi  18 and name C2'  )
        (resi  18 and name C3'  )
        (resi  18 and name C4'  )   1.0  37.0   15.0  2 {*North*}

 assign (resi  19 and name O4'  )
        (resi  19 and name C1'  )
        (resi  19 and name C2'  )
        (resi  19 and name C3'  )   1.0   -25.0   15.0  2

 assign (resi  19 and name C1'  )
        (resi  19 and name C2'  )
        (resi  19 and name C3'  )
        (resi  19 and name C4'  )   1.0  37.0   15.0  2 {*North*}



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