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

21964 2in2 5659 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple
! Confirmation was made from preliminary structural analysis of noe only derived structures
! prior to the implimentation of these restraints in the refinement protocol

!Alpha helixresidues 5 to 13
        assign (resid 5 and name N) (resid 1 and name O) 2.5 0.2 1.0
        assign (resid 5 and name HN) (resid 1 and name O) 1.5 0.0 1.0

        assign (resid 6 and name N) (resid 2 and name O) 2.5 0.2 1.0
        assign (resid 6 and name HN) (resid 2 and name O) 1.5 0.0 1.0

        assign (resid 10 and name N) (resid 6 and name O) 2.5 0.2 1.0
        assign (resid 10 and name HN) (resid 6 and name O) 1.5 0.0 1.0

        assign (resid 14 and name N) (resid 10 and name O) 2.5 0.2 1.0
        assign (resid 14 and name HN) (resid 10 and name O) 1.5 0.0 1.0

        assign (resid 15 and name N) (resid 11 and name O) 2.5 0.2 1.0
        assign (resid 15 and name HN) (resid 11 and name O) 1.5 0.0 1.0

! Sheet 1
!       {  M16 - G27 } 
        assign (resid 16 and name N) (resid 27 and name O) 2.5 0.2 1.0
        assign (resid 16 and name HN) (resid 27 and name O)  1.5 0.0 1.0
!       {  G27 - M16 }
        assign (resid 27 and name N) (resid 16 and name O) 2.8 0.4 0.6
        assign (resid 27 and name HN) (resid 16 and name O)  1.8 0.3 0.6
!        {  I18 - F25 }
        assign (resid 18 and name N) (resid 25 and name O) 2.5 0.2 1.0
        assign (resid 18 and name HN) (resid 25 and name O)  1.5 0.0 1.0
!         {  F25 - I18 }
        assign (resid 25 and name N) (resid 18 and name O) 2.5 0.2 1.0
        assign (resid 25 and name HN) (resid 18 and name O) 1.5 0.0 1.0
!  { T19  - L48 }
 assign (resid 19 and name N) (resid 48 and name O) 2.5 0.2 1.0
 assign (resid 19 and name HN) (resid 48 and name O) 1.5 0.0 1.0
!  { T26  - G147 } 
 assign (resid 26 and name HN) (resid 147 and name O) 2.5 1.0 1.5
!  { T20  - G23 } 
 assign (resid 20 and name N) (resid 23 and name O) 2.5 1.0 1.5
 assign (resid 20 and name HN) (resid 23 and name O) 1.5 0.0 1.0


!Sheet 2 C35 to L75 & I37 to T73
!         {  C35 - L75 }
        assign (resid 35 and name N) (resid 75 and name O) 2.5 0.2 1.0
        assign (resid 35 and name HN) (resid 75 and name O) 1.5 0.0 1.0
!         {  L75 - C35 } 
        assign (resid 75 and name N) (resid 35 and name O) 2.5 0.2 1.0
        assign (resid 75 and name HN) (resid 35 and name O) 1.5 0.0 1.0
!         {  V36 - L28 } 
        assign (resid 36 and name N) (resid 28 and name O) 2.5 0.2 1.0
        assign (resid 36 and name HN) (resid 28 and name O)  1.5 0.0 1.0
!         {  V28 - V36 }
        assign (resid 28 and name N) (resid 36 and name O) 2.5 0.2 1.0
        assign (resid 28 and name HN) (resid 36 and name O)  1.5 0.0 1.0
!         {  T37 - I73 }
        assign (resid 37 and name N) (resid 73 and name O) 2.5 0.2 1.0
        assign (resid 37 and name HN) (resid 73 and name O) 1.5 0.0 1.0
!         {  T73 - I37 }
        assign (resid 73 and name N) (resid 37 and name O) 2.8 0.4 0.6
        assign (resid 73 and name HN) (resid 37 and name O) 1.8 0.3 0.6
!         {  G29 - N14 }
        assign (resid 29 and name N) (resid 14 and name O) 2.5 0.2 1.0
        assign (resid 29 and name HN) (resid 14 and name O)  1.5 0.0 1.0
!         {  V34 - I31 }
        assign (resid 34 and name N) (resid 31 and name O) 2.5 0.2 1.0
        assign (resid 34 and name HN) (resid 31 and name O)  1.5 0.0 1.0
!         {  I30 - V34 } 
        assign (resid 30 and name N) (resid 34 and name O) 2.5 0.2 1.0
        assign (resid 30 and name HN) (resid 34 and name O)  1.5 0.0 1.0
!         {  H31 - V34 } 
        assign (resid 31 and name N) (resid 34 and name O) 2.5 0.2 1.0
        assign (resid 31 and name HN) (resid 34 and name O)  1.5 0.0 1.0

!Sheet 3
!        {  V56 - D45 }
        assign (resid 56 and name N) (resid 45 and name O) 3.5 1.2 1.5
        assign (resid 56 and name HN) (resid 45 and name O) 2.5 1.0 1.5
!        {  V47 - I54 }
        assign (resid 47 and name N) (resid 54 and name O) 2.5 0.2 1.0
        assign (resid 47 and name HN) (resid 54 and name O) 1.5 0.0 1.0
!        {  I54 - V47 }
        assign (resid 54 and name N) (resid 47 and name O) 2.5 0.2 1.0
        assign (resid 54 and name HN) (resid 47 and name O) 1.5 0.0 1.0
!        {  Q52 - V49 }
        assign (resid 52 and name N) (resid 49 and name O) 2.5 0.2 1.0
        assign (resid 52 and name HN) (resid 49 and name O) 1.5 0.0 1.0
!        {  V49 - Q52 }
        assign (resid 49 and name N) (resid 52 and name O) 2.5 0.2 1.0
        assign (resid 49 and name HN) (resid 52 and name O) 1.5 0.0 1.0

!Sheet 4
!  { Y60 - V74 }
        assign (resid 60 and name N) (resid 74 and name O) 2.5 0.2 1.0
        assign (resid 60 and name HN) (resid 74 and name O) 1.5 0.0 1.0
!       { V74 - Y60 }
        assign (resid 74 and name N) (resid 60 and name O) 2.5 0.2 1.0
        assign (resid 74 and name HN) (resid 60 and name O) 1.5 0.0 1.0
!       { L77 - R33 }
        assign (resid 77 and name N) (resid 33 and name O) 2.5 0.2 1.0
        assign (resid 77 and name HN) (resid 33 and name O) 1.5 0.0 1.0
!       { T76 - D58 }
        assign (resid 76 and name N) (resid 58 and name O) 2.5 0.2 1.0
        assign (resid 76 and name HN) (resid 58 and name O) 1.5 0.0 1.0

!Sheet 5
!       { V118 - V97 } 
 assign (resid 118 and name N) (resid 97 and name O) 2.5 0.2 1.0
 assign (resid 118 and name HN) (resid 97 and name O) 1.5 0.0 1.0
!       { C151 - T100 }
        assign (resid 151 and name N) (resid 100 and name O) 2.5 0.2 1.0
        assign (resid 151 and name HN) (resid 100 and name O) 1.5 0.0 1.0
!       { T100 - C151 }
        assign (resid 100 and name N) (resid 151 and name O) 2.5 0.2 1.0
        assign (resid 100 and name HN) (resid 151 and name O) 1.5 0.0 1.0
!       { L113 - L101 }
        assign (resid 113 and name N) (resid 101 and name O) 2.5 0.2 1.0
        assign (resid 113 and name HN) (resid 101 and name O) 1.5 0.0 1.0
!       { L101 - L113 }
        assign (resid 101 and name N) (resid 113 and name O) 2.5 0.2 1.0
        assign (resid 101 and name HN) (resid 113 and name O) 1.5 0.0 1.0
!       { 103 - 111 } 
        assign (resid 103 and name N) (resid 111 and name O) 2.5 0.2 1.0
        assign (resid 103 and name HN) (resid 111 and name O) 1.5 0.0 1.0
!       { V149 - V102 }
        assign (resid 149 and name N) (resid 102 and name O) 2.5 0.2 1.0
        assign (resid 149 and name HN) (resid 102 and name O) 1.5 0.0 1.0
!       { V102 - V149 }
        assign (resid 102 and name N) (resid 149 and name O) 2.5 0.2 1.0
        assign (resid 102 and name HN) (resid 149 and name O) 1.5 0.0 1.0

!Sheet 6
!       { R136 - T119 }
        assign (resid 136 and name N) (resid 119 and name O) 2.5 0.2 1.0
        assign (resid 136 and name HN) (resid 119 and name O) 1.5 0.0 1.0
!       { T119 - R136 }
        assign (resid 119 and name N) (resid 136 and name O) 2.5 0.2 1.0
        assign (resid 119 and name HN) (resid 136 and name O) 1.5 0.0 1.0
!       { G121 - M134 }
        assign (resid 121 and name N) (resid 134 and name O) 2.5 0.2 1.0
        assign (resid 121 and name HN) (resid 134 and name O) 1.5 0.0 1.0
!       {  A122 - M134 } 
        assign (resid 122 and name N) (resid 134 and name O) 2.5 0.2 1.0
        assign (resid 122 and name HN) (resid 134 and name O) 1.5 0.0 1.0
!       {  133 - A122 }
        assign (resid 133 and name N) (resid 122 and name O) 2.5 0.2 1.0
        assign (resid 133 and name HN) (resid 122 and name O) 1.5 0.0 1.0


!Anti-Parallel
!       { G168 - Y137 }
        assign (resid 168 and name N) (resid 137 and name O) 2.5 0.2 1.0
        assign (resid 168 and name HN) (resid 137 and name O) 1.5 0.0 1.0
!       { Y137 - G168 }
        assign (resid 137 and name N) (resid 168 and name O) 2.5 0.2 1.0
        assign (resid 137 and name HN) (resid 168 and name O) 1.5 0.0 1.0
!       { Y139 - 166 } 
        assign (resid 139 and name N) (resid 166 and name O) 2.5 0.2 1.0
        assign (resid 139 and name HN) (resid 166 and name O) 1.5 0.0 1.0


!Sheet 9
!       { A152 - L155 } 
        assign (resid 152 and name N) (resid 155 and name O) 2.5 0.2 1.0
        assign (resid 152 and name HN) (resid 155 and name O) 1.5 0.0 1.0
!       { L155 - A152 }
        assign (resid 155 and name N) (resid 152 and name O) 2.5 0.2 1.0
        assign (resid 155 and name HN) (resid 152 and name O) 1.5 0.0 1.0
!       { F157 - L150 }
        assign (resid 157 and name N) (resid 150 and name O) 2.5 0.2 1.0
        assign (resid 157 and name HN) (resid 150 and name O) 1.5 0.0 1.0
!       { F158 - L150 }
        assign (resid 158 and name N) (resid 150 and name O) 2.5 0.2 1.0
        assign (resid 158 and name HN) (resid 150 and name O) 1.5 0.0 1.0
!       { L150 - F158 }
        assign (resid 150 and name N) (resid 158 and name O) 2.5 0.2 1.0
        assign (resid 150 and name HN) (resid 158 and name O) 1.5 0.0 1.0
!       { I159 - A171 }
        assign (resid 159 and name N) (resid 171 and name O) 2.5 0.2 1.0
        assign (resid 159 and name HN) (resid 171 and name O) 1.5 0.0 1.0

!       { 83 - 32 }
        assign (resid 83 and name N) (resid 32 and name O) 2.5 0.2 1.5
        assign (resid 83 and name HN) (resid 32 and name O) 1.5 0.0 1.5
!       { 86 - 30 } 
        assign (resid 86 and name N) (resid 30 and name O) 2.5 0.2 1.0
        assign (resid 86 and name HN) (resid 30 and name O) 1.5 0.0 1.0
!       { 90 - 87 } 
        assign (resid 90 and name N) (resid 87 and name O) 2.5 0.2 1.0
        assign (resid 90 and name HN) (resid 87 and name O) 1.5 0.0 1.0
!       { 87 - 85 }  
        assign (resid 87 and name N) (resid 85 and name O) 2.5 0.2 1.0
        assign (resid 87 and name HN) (resid 85 and name O) 1.5 0.0 1.0
!       { 91 - 156 }
        assign (resid 91 and name N) (resid 156 and name O) 2.5 0.2 1.0
        assign (resid 91 and name HN) (resid 156 and name O) 1.5 0.0 1.0
!       { 156 - 89 }
        assign (resid 156 and name N) (resid 89 and name O) 2.5 0.2 1.0
        assign (resid 156 and name HN) (resid 89 and name O) 1.5 0.0 1.0

!Across beta barrels domains
!       { 132 - 69 } 
        assign (resid 132 and name N) (resid 69 and name O) 2.5 0.2 1.0
        assign (resid 132 and name HN) (resid 69 and name O) 1.5 0.0 1.0
! { 69 - 130}
        assign (resid 69 and name N) (resid 130 and name O) 2.5 0.2 1.0
        assign (resid 69 and name HN) (resid 130 and name O) 1.5 0.0 1.0


!       { A170 - I135 }
        assign (resid 170 and name N) (resid 135 and name O) 2.5 0.2 1.0
        assign (resid 170 and name HN) (resid 135 and name O) 1.5 0.0 1.0
!       { T119 - R136 }
        assign (resid 119 and name N) (resid 136 and name O) 2.5 0.2 1.0
        assign (resid 119 and name HN) (resid 136 and name O) 1.5 0.0 1.0
!       { R136 - T119 }
        assign (resid 136 and name N) (resid 119 and name O) 2.5 0.2 1.0
        assign (resid 136 and name HN) (resid 119 and name O) 1.5 0.0 1.0
!       { T129 - L126  }
        assign (resid 129 and name N) (resid 126 and name O) 2.5 0.2 1.0
        assign (resid 129 and name HN) (resid 126 and name O) 1.5 0.0 1.0
!       { L126 - T129  }
        assign (resid 126 and name N) (resid 129 and name O) 2.5 0.2 1.0
        assign (resid 126 and name HN) (resid 129 and name O) 1.5 0.0 1.0
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	21964	2in2	5659	cing	1-original	4	XPLOR/CNS	distance	hydrogen bond	simple