NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	516536	2k2g	cing	1-original	3	XPLOR/CNS	unknown

! hbonds.xplor
!   Date:  March 10, 2004
!   Hydrogen bonds built for partners that appear in at least 5/10 accepted structures from
!     calculation mmp12554_17e that include one slowly exchanging amide.
!   Two restraints per hydrogen bond
!
!   Date: March 22, 2004: add 4 hydrogen bonds based on mmp12_554_19c
!   Date: December 10, 2004: add 4 hydrogen bonds based on mmp12_554_28b5
!   Date: June 16, 2005: format changed for newer version of nih-xplor
!   Date: January 23, 2006: add 9 hydrogen bonds based on mmp12_554_final15
!

! helix A
assign (segid MP12 and resid 130 and name    N) (segid MP12 and resid 130 and name   HN) (segid MP12 and resid 126 and name    O)
assign (segid MP12 and resid 132 and name    N) (segid MP12 and resid 132 and name   HN) (segid MP12 and resid 128 and name    O)
assign (segid MP12 and resid 135 and name    N) (segid MP12 and resid 135 and name   HN) (segid MP12 and resid 131 and name    O)
assign (segid MP12 and resid 136 and name    N) (segid MP12 and resid 136 and name   HN) (segid MP12 and resid 132 and name    O)
assign (segid MP12 and resid 137 and name    N) (segid MP12 and resid 137 and name   HN) (segid MP12 and resid 133 and name    O)
assign (segid MP12 and resid 138 and name    N) (segid MP12 and resid 138 and name   HN) (segid MP12 and resid 134 and name    O)
assign (segid MP12 and resid 142 and name    N) (segid MP12 and resid 142 and name   HN) (segid MP12 and resid 138 and name    O)
assign (segid MP12 and resid 145 and name    N) (segid MP12 and resid 145 and name   HN) (segid MP12 and resid 141 and name    O)

! helix B
assign (segid MP12 and resid 215 and name    N) (segid MP12 and resid 215 and name   HN) (segid MP12 and resid 211 and name    O)
assign (segid MP12 and resid 216 and name    N) (segid MP12 and resid 216 and name   HN) (segid MP12 and resid 212 and name    O)
assign (segid MP12 and resid 219 and name    N) (segid MP12 and resid 219 and name   HN) (segid MP12 and resid 215 and name    O)
assign (segid MP12 and resid 220 and name    N) (segid MP12 and resid 220 and name   HN) (segid MP12 and resid 216 and name    O)
assign (segid MP12 and resid 221 and name    N) (segid MP12 and resid 221 and name   HN) (segid MP12 and resid 217 and name    O)
assign (segid MP12 and resid 222 and name    N) (segid MP12 and resid 222 and name   HN) (segid MP12 and resid 218 and name    O)
assign (segid MP12 and resid 223 and name    N) (segid MP12 and resid 223 and name   HN) (segid MP12 and resid 219 and name    O)
assign (segid MP12 and resid 224 and name    N) (segid MP12 and resid 224 and name   HN) (segid MP12 and resid 220 and name    O)

! helix C
assign (segid MP12 and resid 255 and name    N) (segid MP12 and resid 255 and name   HN) (segid MP12 and resid 251 and name    O)
assign (segid MP12 and resid 256 and name    N) (segid MP12 and resid 256 and name   HN) (segid MP12 and resid 252 and name    O)
assign (segid MP12 and resid 259 and name    N) (segid MP12 and resid 259 and name   HN) (segid MP12 and resid 255 and name    O)

! sheet
assign (segid MP12 and resid 114 and name    N) (segid MP12 and resid 114 and name   HN) (segid MP12 and resid 148 and name    O)
assign (segid MP12 and resid 116 and name    N) (segid MP12 and resid 116 and name   HN) (segid MP12 and resid 150 and name    O)
assign (segid MP12 and resid 119 and name    N) (segid MP12 and resid 119 and name   HN) (segid MP12 and resid 161 and name    O)
assign (segid MP12 and resid 150 and name    N) (segid MP12 and resid 150 and name   HN) (segid MP12 and resid 114 and name    O)
assign (segid MP12 and resid 159 and name    N) (segid MP12 and resid 159 and name   HN) (segid MP12 and resid 115 and name    O)
assign (segid MP12 and resid 161 and name    N) (segid MP12 and resid 161 and name   HN) (segid MP12 and resid 117 and name    O)
assign (segid MP12 and resid 162 and name    N) (segid MP12 and resid 162 and name   HN) (segid MP12 and resid 195 and name    O)
assign (segid MP12 and resid 164 and name    N) (segid MP12 and resid 164 and name   HN) (segid MP12 and resid 197 and name    O)
assign (segid MP12 and resid 195 and name    N) (segid MP12 and resid 195 and name   HN) (segid MP12 and resid 160 and name    O)
assign (segid MP12 and resid 197 and name    N) (segid MP12 and resid 197 and name   HN) (segid MP12 and resid 162 and name    O)
assign (segid MP12 and resid 199 and name    N) (segid MP12 and resid 199 and name   HN) (segid MP12 and resid 164 and name    O)

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