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 subtype subsubtype

456344 2kh9 16246 cing 1-original 1 XPLOR/CNS distance hydrogen bond simple

!H Bond Restraints (based on HADDOCK)                 
assign (resid 118 and name OG1 and segid A) (resid 3 and name H6#) 1.9 0.4 0.6      
assign (resid 162 and name HH and segid A) ((resid 3 and name O3') or (resid 3 and name O4')) 1.9 0.4 0.6
assign (resid 191 and name HZ# and segid A) (resid 2 and name O6 and segid B) 1.9 0.4 0.6   
assign (resid 194 and name OD1 and segid A) (resid 2 and name H2# and segid B) 1.9 0.4 0.6   

!Electrostatics of R158
assign (resid 158 and name HH# and segid A) ((name O1P and segid B) or (name O2P and segid B)) 2 0.4 0.6

!Beta Sheet                     
assign (resid 117 and name O and segid A) (resid 165 and name HN and segid A) 1.9 0.4 0.6   
assign (resid 119 and name O and segid A) (resid 163 and name HN and segid A) 1.9 0.4 0.6   
assign (resid 119 and name HN and segid A) (resid 163 and name O and segid A) 1.9 0.4 0.6   
assign (resid 121 and name O and segid A) (resid 161 and name HN and segid A) 1.9 0.4 0.6   
assign (resid 121 and name HN and segid A) (resid 161 and name O and segid A) 1.9 0.4 0.6   
assign (resid 120 and name O and segid A) (resid 191 and name HN and segid A) 1.9 0.4 0.6
assign (resid 120 and name HN and segid A) (resid 191 and name O and segid A) 1.9 0.4 0.6
assign (resid 122 and name O and segid A) (resid 189 and name HN and segid A) 1.9 0.4 0.6
assign (resid 122 and name HN and segid A) (resid 189 and name O and segid A) 1.9 0.4 0.6
assign (resid 162 and name O and segid A) (resid 148 and name HN and segid A) 1.9 0.4 0.6
assign (resid 164 and name HN and segid A) (resid 146 and name O and segid A) 1.9 0.4 0.6

assign (resid 117 and name O and segid A) (resid 165 and name N and segid A) 2.9 0.5 0.7
assign (resid 119 and name O and segid A) (resid 163 and name N and segid A) 2.9 0.5 0.7
assign (resid 119 and name N and segid A) (resid 163 and name O and segid A) 2.9 0.5 0.7
assign (resid 121 and name O and segid A) (resid 161 and name N and segid A) 2.9 0.5 0.7
assign (resid 121 and name N and segid A) (resid 161 and name O and segid A) 2.9 0.5 0.7
assign (resid 120 and name O and segid A) (resid 191 and name N and segid A) 2.9 0.5 0.7
assign (resid 120 and name N and segid A) (resid 191 and name O and segid A) 2.9 0.5 0.7
assign (resid 122 and name O and segid A) (resid 189 and name N and segid A) 2.9 0.5 0.7
assign (resid 122 and name N and segid A) (resid 189 and name O and segid A) 2.9 0.5 0.7
assign (resid 162 and name O and segid A) (resid 148 and name N and segid A) 2.9 0.5 0.7
assign (resid 162 and name N and segid A) (resid 148 and name O and segid A) 2.9 0.5 0.7
assign (resid 164 and name N and segid A) (resid 146 and name O and segid A) 2.9 0.5 0.7

!Alpha Helix                  
assign (resid 168 and name O and segid A) (resid 172 and name HN and segid A) 1.9 0.4 0.6
assign (resid 169 and name O and segid A) (resid 173 and name HN and segid A) 1.9 0.4 0.6
assign (resid 170 and name O and segid A) (resid 174 and name HN and segid A) 1.9 0.4 0.6
assign (resid 171 and name O and segid A) (resid 175 and name HN and segid A) 1.9 0.4 0.6
assign (resid 172 and name O and segid A) (resid 176 and name HN and segid A) 1.9 0.4 0.6
assign (resid 173 and name O and segid A) (resid 177 and name HN and segid A) 1.9 0.4 0.6
assign (resid 174 and name O and segid A) (resid 178 and name HN and segid A) 1.9 0.4 0.6
assign (resid 175 and name O and segid A) (resid 179 and name HN and segid A) 1.9 0.4 0.6
assign (resid 130 and name O and segid A) (resid 134 and name HN and segid A) 1.9 0.4 0.6
assign (resid 131 and name O and segid A) (resid 135 and name HN and segid A) 1.9 0.4 0.6
assign (resid 132 and name O and segid A) (resid 136 and name HN and segid A) 1.9 0.4 0.6
assign (resid 133 and name O and segid A) (resid 137 and name HN and segid A) 1.9 0.4 0.6
assign (resid 134 and name O and segid A) (resid 138 and name HN and segid A) 1.9 0.4 0.6
assign (resid 135 and name O and segid A) (resid 139 and name HN and segid A) 1.9 0.4 0.6
assign (resid 136 and name O and segid A) (resid 140 and name HN and segid A) 1.9 0.4 0.6

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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	456344	2kh9	16246	cing	1-original	1	XPLOR/CNS	distance	hydrogen bond	simple