NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
2570 1c3t 4663 cing recoord 1-original 2 XPLOR/CNS distance hydrogen bond ambi 

!_______________________________________________________
!
! H-bond restraints
!______________________________________________________

!Restraints for slow exchanging amides (peaks still present in HSQC after
! one hour of hydrogen/deuterium exchange)
!Acceptors determined by looking at preliminary structures in insight.
!
!Restrain hydrogen-acceptor distance between 1.7 and 2.2A
!Restrain donor-acceptor distance between 2.7 and 3.2A
!This should restrain the donor-hydrogen-acceptor distance to be greater than 110deg
! (Nilges, JMB)

assign (resid 3 and name HN ) (resid 15 and name O ) 1.7 0.0 0.5
assign (resid 3 and name N ) (resid 15 and name O ) 2.7 0.0 0.5

assign (resid 4 and name HN ) (resid 65 and name O ) 1.7 0.0 0.5
assign (resid 4 and name N ) (resid 65 and name O ) 2.7 0.0 0.5
 
assign (resid 5 and name HN ) (resid 13 and name O ) 1.7 0.0 0.5
assign (resid 5 and name N ) (resid 13 and name O ) 2.7 0.0 0.5

assign (resid 6 and name HN ) (resid 67 and name O ) 1.7 0.0 0.5
assign (resid 6 and name N ) (resid 67 and name O ) 2.7 0.0 0.5

assign (resid 13 and name HN ) (resid 5 and name O ) 1.7 0.0 0.5
assign (resid 13 and name N ) (resid 5 and name O ) 2.7 0.0 0.5

assign (resid 15 and name HN ) (resid 3 and name O ) 1.7 0.0 0.5
assign (resid 15 and name N ) (resid 3 and name O ) 2.7 0.0 0.5

assign (resid 17 and name HN ) (resid 1 and name O ) 1.7 0.0 0.5
assign (resid 17 and name N ) (resid 1 and name O ) 2.7 0.0 0.5
 
assign (resid 18 and name HN ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 1.7 0.0 0.5
assign (resid 18 and name N ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 2.7 0.0 0.5

assign (resid 21 and name HN ) (resid 18 and name O ) 1.7 0.0 0.5
assign (resid 21 and name N ) (resid 18 and name O ) 2.7 0.0 0.5

assign (resid 22 and name HN ) (resid 25 and name OD1 ) 1.7 0.0 0.5
assign (resid 22 and name N ) (resid 25 and name OD1 ) 2.7 0.0 0.5

assign (resid 23 and name HN ) (resid 54 and name O ) 1.7 0.0 0.5
assign (resid 23 and name N ) (resid 54 and name O ) 2.7 0.0 0.5

assign (resid 25 and name HN )
((resid 22 and name OG1 ) OR (resid 22 and name O )) 1.7 0.0 0.5
assign (resid 25 and name N ) 
((resid 22 and name OG1 ) OR (resid 22 and name O )) 2.7 0.0 0.5

assign (resid 26 and name HN ) (resid 22 and name O ) 1.7 0.0 0.5
assign (resid 26 and name N ) (resid 22 and name O ) 2.7 0.0 0.5

assign (resid 27 and name HN ) (resid 23 and name O ) 1.7 0.0 0.5
assign (resid 27 and name N ) (resid 23 and name O ) 2.7 0.0 0.5

assign (resid 28 and name HN ) (resid 24 and name O ) 1.7 0.0 0.5
assign (resid 28 and name N ) (resid 24 and name O ) 2.7 0.0 0.5

assign (resid 29 and name HN ) (resid 25 and name O ) 1.7 0.0 0.5
assign (resid 29 and name N ) (resid 25 and name O ) 2.7 0.0 0.5

assign (resid 30 and name HN ) (resid 26 and name O ) 1.7 0.0 0.5
assign (resid 30 and name N ) (resid 26 and name O ) 2.7 0.0 0.5

assign (resid 31 and name HN ) (resid 27 and name O ) 1.7 0.0 0.5
assign (resid 31 and name N ) (resid 27 and name O ) 2.7 0.0 0.5

assign (resid 36 and name HN ) (resid 30 and name O ) 1.7 0.0 0.5
assign (resid 36 and name N ) (resid 30 and name O ) 2.7 0.0 0.5 
 
assign (resid 40 and name HN ) 
((resid 37 and name O ) OR (resid 38 and name O )) 1.7 0.0 0.5
assign (resid 40 and name N ) 
((resid 37 and name O ) OR (resid 38 and name O )) 2.7 0.0 0.5

assign (resid 41 and name HN ) 
((resid 37 and name O ) OR (resid 38 and name O )) 1.7 0.0 0.5
assign (resid 41 and name N ) 
((resid 37 and name O ) OR (resid 38 and name O )) 2.7 0.0 0.5

assign (resid 42 and name HN ) (resid 70 and name O ) 1.7 0.0 0.5
assign (resid 42 and name N ) (resid 70 and name O ) 2.7 0.0 0.5

assign (resid 44 and name HN ) (resid 68 and name O ) 1.7 0.0 0.5
assign (resid 44 and name N ) (resid 68 and name O ) 2.7 0.0 0.5

assign (resid 45 and name HN ) (resid 48 and name O ) 1.7 0.0 0.5
assign (resid 45 and name N ) (resid 48 and name O ) 2.7 0.0 0.5

assign (resid 48 and name HN ) (resid 45 and name O ) 1.7 0.0 0.5 
assign (resid 48 and name N ) (resid 45 and name O ) 2.7 0.0 0.5 

assign (resid 50 and name HN ) (resid 43 and name O ) 1.7 0.0 0.5
assign (resid 50 and name N ) (resid 43 and name O ) 2.7 0.0 0.5

assign (resid 51 and name HN ) (resid 59 and name OH ) 1.7 0.0 0.5
assign (resid 51 and name N ) (resid 59 and name OH ) 2.7 0.0 0.5

assign (resid 54 and name HN ) (resid 51 and name O ) 1.7 0.0 0.5
assign (resid 54 and name N ) (resid 51 and name O ) 2.7 0.0 0.5

assign (resid 55 and name HN )
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 1.7 0.0 0.5
assign (resid 55 and name N ) 
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 2.7 0.0 0.5
 
assign (resid 56 and name HN ) (resid 21 and name O ) 1.7 0.0 0.5
assign (resid 56 and name N ) (resid 21 and name O ) 2.7 0.0 0.5

assign (resid 59 and name HN )
((resid 55 and name O ) OR (resid 56 and name O )) 1.7 0.0 0.5
assign (resid 59 and name N ) 
((resid 55 and name O ) OR (resid 56 and name O )) 2.7 0.0 0.5

assign (resid 69 and name HN ) (resid 6 and name O ) 1.7 0.0 0.5
assign (resid 69 and name N ) (resid 6 and name O ) 2.7 0.0 0.5

assign (resid 70 and name HN ) (resid 42 and name O ) 1.7 0.0 0.5
assign (resid 70 and name N ) (resid 42 and name O ) 2.7 0.0 0.5

assign (resid 41 and name HE21) 
((resid 27 and name O ) OR (resid 36 and name O )) 1.7 0.0 0.5

assign (resid 41 and name HE22) 
((resid 27 and name O ) OR (resid 36 and name O )) 1.7 0.0 0.5

assign (resid 41 and name NE2) 
((resid 27 and name O ) OR (resid 36 and name O )) 2.7 0.0 0.5

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