NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
1016 170d cing 1-original 1 XPLOR/CNS distance NOE ambi


!h3-H41/42,H61/62 
assign (resid 4 and name h1) (resid 5 and name h61) 4.32 0.5 0.5
assign (resid 16 and name h1) (resid 17 and name h61) 4.32 0.5 0.5

assign (resid 7 and name h3) 
       (resid 6 and name h61 or resid 18 and name h61) 3.68 0.4 1.0
assign (resid 19 and name h3) 
       (resid 18 and name h61 or resid 6 and name h61) 3.68 0.4 1.0

assign (resid 7 and name h3 or resid 8 and name h3) 
       (resid 6 and name h62 or resid 18 and name h62) 3.45 0.4 1.0
assign (resid 19 and name h3 or resid 20 and name h3) 
       (resid 18 and name h62 or resid 6 and name h62) 3.45 0.4 1.0

assign (resid 8 and name h3) (resid 9 and name h41) 3.58 0.4 0.5
assign (resid 20 and name h3) (resid 21 and name h41) 3.58 0.4 0.5

NH-NH 6 distances

assign (resid 8 and name h3) (resid 16 and name h1) 4.02 0.4 0.5  
assign (resid 20 and name h3) (resid 4 and name h1) 4.02 0.4 0.5 

assign (resid 16 and name h1) (resid 10 and name h1) 3.72 0.4 0.5 
assign (resid 22 and name h1) (resid 4 and name h1) 3.72 0.4 0.5  

assign (resid 22 and name h1) (resid 2 and name h1) 3.47 0.4 0.5  
assign (resid 10 and name h1) (resid 14 and name h1) 3.47 0.4 0.5 


!H2-NH 6 distances 
assign (resid 7 and name h3 or resid 8 and name h3) 
       (resid 6 and name h2 or resid 18 and name h2) 2.72 0.3 1.0
assign (resid 19 and name h3 or resid 20 and name h3) 
       (resid 18 and name h2 or resid 6 and name h2) 2.72 0.3 1.0

assign (resid 5 and name h2) (resid 20 and name h3) 2.79 0.3 0.4 
assign (resid 17 and name h2) (resid 8 and name h3) 2.79 0.3 0.4

assign (resid 5 and name h2) (resid 4 and name h1) 3.79 0.4 0.4  
assign (resid 17 and name h2) (resid 16 and name h1) 3.79 0.4 0.4


!H2-H2 2 distances
assign (resid 6 and name h2) (resid 5 and name h2) 3.80 0.4 0.4

!H2-H1' intrastrand 
assign (resid 5 and name h2) (resid 6 and name h1') 3.56 0.4 0.4

!H2-H1' interstrand  distances
assign (resid 6 and name h2) 
       (resid 6 and name h1' or resid 20 and name h1') 3.61 0.4 0.4 
assign (resid 5 and name h2) (resid 21 and name h1') 3.53 0.4 0.4

!h8/h6(i)-H5(i+1)
assign (resid 8 and name h6) (resid 9 and name h5) 3.63 0.4 0.4
assign (resid 6 and name h8) (resid 7 and name h6) 4.57 0.5 0.5
assign (resid 10 and name h8) (resid 11 and name h5) 4.2 0.5 0.5  
assign (resid 2 and name h8) (resid 3 and name h5) 4.12 0.5 0.5

!h1'(i)-H8/H6(i+1) 
assign (resid 1 and name h1') (resid 2 and name h8) 3.67 0.4 0.4  
assign (resid 2 and name h1') (resid 3 and name h6) 2.85 0.3 0.4  
assign (resid 3 and name h1' or resid 4 and name h1' or
        resid 9 and name h1') 
       (resid 4 and name h8 or resid 10 and name h8) 3.06 0.4 0.5  
assign (resid 4 and name h1') (resid 5 and name h8) 3.23 0.4 0.4
assign (resid 5 and name h1') (resid 6 and name h8) 3.18 0.4 0.4
assign (resid 6 and name h1') (resid 7 and name h6) 3.11 0.4 0.4 
assign (resid 7 and name h1') (resid 8 and name h6) 3.33 0.4 0.4 
assign (resid 8 and name h1') (resid 9 and name h6) 3.15 0.4 0.4 

assign (resid 10 and name h1') (resid 11 and name h6) 3.04 0.3 0.4 
assign (resid 11 and name h1') (resid 12 and name h8) 3.67 0.4 0.4

!h2'(i)-h6/h8(i+1) 
assign (resid 1 and name h2') (resid 2 and name h8) 3.77 0.4 0.4 
assign (resid 2 and name h2') (resid 3 and name h6) 2.82 0.3 0.4
assign (resid 3 and name h2') (resid 4 and name h8) 4.01 0.5 0.5  
assign (resid 7 and name h2') (resid 8 and name h6) 2.97 0.3 0.4
assign (resid 8 and name h2') (resid 9 and name h6) 2.60 0.3 0.4 
assign (resid 10 and name h2') (resid 11 and name h6) 2.82 0.3 0.4
assign (resid 11 and name h2') (resid 12 and name h8) 3.77 0.4 0.4


!H2''(i)-H8/h6(i+1) 
assign (resid 1 and name h2'') (resid 2 and name h8) 2.95 0.3 0.4 
assign (resid 2 and name h2'') (resid 3 and name h6) 2.39 0.3 0.4
assign (resid 3 and name h2'') (resid 4 and name h8) 3.31 0.3 0.4  
assign (resid 4 and name h2'') (resid 5 and name h8) 2.98 0.3 0.4
assign (resid 6 and name h2'') (resid 7 and name h6) 2.62 0.3 0.4
assign (resid 7 and name h2'') (resid 8 and name h6) 2.69 0.3 0.4
assign (resid 8 and name h2'') (resid 9 and name h6) 2.43 0.3 0.4
assign (resid 9 and name h2'') (resid 10 and name h8) 2.64 0.3 0.4  
assign (resid 10 and name h2'') (resid 11 and name h6) 2.39 0.3 0.4
assign (resid 11 and name h2'') (resid 12 and name h8) 2.95 0.3 0.4  



!h6/h8(i)-TCH3(i+1) 
assign (resid 7 and name h6) (resid 8 and name h5#) 2.76 0.3 0.8
assign (resid 6 and name h8) (resid 7 and name h5#) 2.92 0.3 0.8


!h2''(i)-CH3(i+1)
assign (resid 8 and name h5#) (resid 7 and name h2'') 2.93 0.3 0.8
assign (resid 7 and name h5#) (resid 6 and name h2'') 2.85 0.3 0.8



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