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
1018 170d cing 1-original 3 XPLOR/CNS distance NOE ambi


!H1'-H2" 
assign (resid 1 and name h1') (resid 1 and name h2'') 2.35 0.3 0.4
assign (resid 3 and name h1') (resid 3 and name h2'') 2.49 0.3 0.4
assign (resid 4 and name h1') (resid 4 and name h2'') 2.41 0.3 0.4
assign (resid 5 and name h1') (resid 5 and name h2'') 2.44 0.3 0.4
assign (resid 6 and name h1') (resid 6 and name h2'') 2.51 0.3 0.4
assign (resid 8 and name h1') (resid 8 and name h2'') 2.40 0.3 0.4
assign (resid 10 and name h1') (resid 10 and name h2'') 2.30 0.3 0.4
assign (resid 11 and name h1') (resid 11 and name h2'') 2.31 0.3 0.4
assign (resid 12 and name h1') (resid 12 and name h2'') 2.25 0.3 0.4

!h1'-H2': :
assign (resid 3 and name h1') (resid 3 and name h2') 2.62 0.3 0.4
assign (resid 7 and name h1') (resid 7 and name h2') 2.72 0.3 0.4
assign (resid 8 and name h1') (resid 8 and name h2') 2.69 0.3 0.4 
!assign (resid 10 and name h1') (resid 10 and name h2') 2.85 0.3 0.4


!h1'-H6/H8 
assign (resid 1 and name h1') (resid 1 and name h6) 3.03 0.4 0.4 
assign (resid 2 and name h1') (resid 2 and name h8) 3.61 0.4 0.4 
assign (resid 3 and name h1') (resid 3 and name h6) 3.27 0.4 0.4 

assign (resid 5 and name h1') (resid 5 and name h8) 3.65 0.4 0.4 
assign (resid 6 and name h1') (resid 6 and name h8) 3.56 0.4 0.4 
assign (resid 7 and name h1') (resid 7 and name h6) 3.48 0.4 0.4 
assign (resid 8 and name h1') (resid 8 and name h6) 3.38 0.4 0.4
assign (resid 9 and name h1') (resid 9 and name h6) 3.51 0.4 0.4 
assign (resid 10 and name h1') (resid 10 and name h8) 3.64 0.4 0.4 
assign (resid 11 and name h1') (resid 11 and name h6) 3.16 0.4 0.4 
assign (resid 12 and name h1') (resid 12 and name h8) 4.15 0.5 0.5 

!h2'-H8/h6 : 
assign (resid 1 and name h2') (resid 1 and name h6) 2.46 0.3 0.4
assign (resid 3 and name h2') (resid 3 and name h6) 2.13 0.3 0.4
assign (resid 7 and name h2') (resid 7 and name h6) 2.54 0.3 0.4
assign (resid 8 and name h2') (resid 8 and name h6) 2.52 0.3 0.4
assign (resid 11 and name h2') (resid 11 and name h6) 2.13 0.3 0.4

assign (resid 2 and (name h2' or name h2'')) (resid 2 and name h8) 2.82 0.4 0.5   
assign (resid 12 and name h2') (resid 12 and name h8) 2.47 0.3 0.4  
assign (resid 4 and name h8 or resid 10 and name h8)
       (resid 4 and (name h2' or name h2'') or 
        resid 10 and (name h2' or name h2'')) 2.22 0.3 0.5          
 
!H2'-H5
assign (resid 3 and name h2') (resid 3 and name h5) 3.17 0.4 0.4
assign (resid 11 and name h2') (resid 11 and name h5) 3.30 0.4 0.4

!h2'-H3' 
assign (resid 1 and name h2') (resid 1 and name h3') 2.78 0.3 0.4
assign (resid 7 and name h2') (resid 7 and name h3') 2.45 0.3 0.4
assign (resid 8 and name h2') (resid 8 and name h3') 2.43 0.3 0.4

!H2''-h3'  
assign (resid 7 and name h2'') (resid 7 and name h3') 2.57 0.3 0.4
assign (resid 9 and name h2'') (resid 9 and name h3') 2.62 0.3 0.4
assign (resid 12 and name h2'') (resid 12 and name h3') 2.62 0.3 0.4


{UNRESOLVED}
assign (resid 5 and name h8)
       (resid 5 and name h2' or resid 4 and name h2') 2.54 0.3 0.5
assign (resid 9 and name h6)
       (resid 9 and (name h5' or name h5'')) 3.69 0.4 1.0
assign (resid 6 and name H8)
       (resid 6 and name H2'' or resid 5 and name H2'') 2.50 0.3 0.5
assign (resid 6 and name H8)
       (resid 6 and name H2' or resid 5 and name H2') 2.39 0.3 0.5
assign (resid 6 and name H8)
       (resid 6 and name H5' or resid 6 and name H5'') 3.55 0.4 1.0
assign (resid 5 and name H8)
       (resid 5 and name H5' or resid 5 and name H5'') 3.57 0.4 1.0
assign (resid 1 and name H6)
       (resid 1 and name H5' or resid 1 and name H5'') 3.05 0.4 1.0
assign (resid 1 and name H6 or resid 6 and name h2)
       (resid 1 and name H5 or resid 7 and name h1') 2.40 0.3 1.0
assign (resid 3 and (name h4' or name h5' or name h5'') or 
        resid 11 and (name h4' or name h5' or name h5''))
       (resid 3 and name h6 or resid 11 and name h6) 2.66 0.4 1.0

assign (resid 5 and name h1')
       (resid 5 and name h4' or resid 6 and name h4') 2.86 0.4 1.0 
assign (resid 6 and name h1' or resid 8 and name h1')
       (resid 7 and name h4' or resid 9 and (name h5' or name h5'')) 2.78 0.3 1.0
assign (resid 2 and name h1')
       (resid 3 and (name h4' or name h5' or name h5'')) 2.83 0.3 1.0 
assign (resid 7 and name h1' or resid 10 and name h1')
       (resid 8 and (name h5' or name h5'') or
        resid 11 and (name h4' or name h5' or name h5'')) 3.05 0.4 1.0 
assign (resid 4 and name h2'')
       (resid 5 and (name h5' or name h5'')) 3.05 0.4 1.0 


{STRAND TWO}

!H2-H2 2 distances
assign (resid 18 and name h2) (resid 17 and name h2) 3.80 0.4 0.4

!H2-H1' intrastrand 
assign (resid 17 and name h2) (resid 18 and name h1') 3.56 0.4 0.4

!H2-H1' interstrand  distances
assign (resid 18 and name h2) 
       (resid 18 and name h1' or resid 8 and name h1') 3.61 0.4 0.4 
assign (resid 17 and name h2) (resid 9 and name h1') 3.53 0.4 0.4

!h8/h6(i)-H5(i+1)
assign (resid 20 and name h6) (resid 21 and name h5) 3.63 0.4 0.4
assign (resid 18 and name h8) (resid 19 and name h6) 4.57 0.5 0.5
assign (resid 22 and name h8) (resid 23 and name h5) 4.2 0.5 0.5  
assign (resid 14 and name h8) (resid 15 and name h5) 4.12 0.5 0.5

!h1'(i)-H8/H6(i+1) 
assign (resid 13 and name h1') (resid 14 and name h8) 3.67 0.4 0.4  
assign (resid 14 and name h1') (resid 15 and name h6) 2.85 0.3 0.4  
assign (resid 15 and name h1' or resid 16 and name h1' or
        resid 21 and name h1') 
       (resid 16 and name h8 or resid 22 and name h8) 3.06 0.4 0.5  
assign (resid 16 and name h1') (resid 17 and name h8) 3.23 0.4 0.4
assign (resid 17 and name h1') (resid 18 and name h8) 3.18 0.4 0.4
assign (resid 18 and name h1') (resid 19 and name h6) 3.11 0.4 0.4 
assign (resid 19 and name h1') (resid 20 and name h6) 3.33 0.4 0.4 
assign (resid 20 and name h1') (resid 21 and name h6) 3.15 0.4 0.4 

assign (resid 22 and name h1') (resid 23 and name h6) 3.04 0.3 0.4 
assign (resid 23 and name h1') (resid 24 and name h8) 3.67 0.4 0.4 

!h2'(i)-h6/h8(i+1) 
assign (resid 13 and name h2') (resid 14 and name h8) 3.77 0.4 0.4 
assign (resid 14 and name h2') (resid 15 and name h6) 2.82 0.3 0.4
assign (resid 15 and name h2') (resid 16 and name h8) 4.01 0.5 0.5  
assign (resid 19 and name h2') (resid 20 and name h6) 2.97 0.3 0.4
assign (resid 20 and name h2') (resid 21 and name h6) 2.60 0.3 0.4 
assign (resid 22 and name h2') (resid 23 and name h6) 2.82 0.3 0.4
assign (resid 23 and name h2') (resid 24 and name h8) 3.77 0.4 0.4


!H2''(i)-H8/h6(i+1) 
assign (resid 13 and name h2'') (resid 14 and name h8) 2.95 0.3 0.4  
assign (resid 14 and name h2'') (resid 15 and name h6) 2.39 0.3 0.4
assign (resid 15 and name h2'') (resid 16 and name h8) 3.31 0.3 0.4  
assign (resid 16 and name h2'') (resid 17 and name h8) 2.98 0.3 0.4
assign (resid 18 and name h2'') (resid 19 and name h6) 2.62 0.3 0.4
assign (resid 19 and name h2'') (resid 20 and name h6) 2.69 0.3 0.4
assign (resid 20 and name h2'') (resid 21 and name h6) 2.43 0.3 0.4
assign (resid 21 and name h2'') (resid 22 and name h8) 2.64 0.3 0.4  
assign (resid 22 and name h2'') (resid 23 and name h6) 2.39 0.3 0.4
assign (resid 23 and name h2'') (resid 24 and name h8) 2.95 0.3 0.4  



!h6/h8(i)-TCH3(i+1) 
assign (resid 19 and name h6) (resid 20 and name h5#) 2.76 0.3 0.8
assign (resid 18 and name h8) (resid 19 and name h5#) 2.92 0.3 0.8


!h2''(i)-CH3(i+1)
assign (resid 20 and name h5#) (resid 19 and name h2'') 2.93 0.3 0.8
assign (resid 19 and name h5#) (resid 18 and name h2'') 2.85 0.3 0.8



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