NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
7255 |
1k45   |
5181 | cing | 1-original | 6 | XPLOR/CNS | dihedral angle |
!cbm_chis.tbl
!###### sidechain dihedrals
!ISOLEUCINES
assign (resid 6 and name N) (resid 6 and name CA)
(resid 6 and name CB) (resid 6 and name CG1) 1.0 -60.0 30.0 2 !ILE
assign (resid 71 and name N) (resid 71 and name CA)
(resid 71 and name CB) (resid 71 and name CG1) 1.0 -60.0 30.0 2 !ILE
assign (resid 121 and name N) (resid 121 and name CA)
(resid 121 and name CB) (resid 121 and name CG1) 1.0 -60.0 30.0 2 !ILE
!Next not included as found ha-gmethyl may be overlapped - CHECK BACK!
!assign (resid 141 and name N) (resid 141 and name CA)
! (resid 141 and name CB) (resid 141 and name CG1) 1.0 60.0 30.0 2 !ILE
assign (resid 145 and name N) (resid 145 and name CA)
(resid 145 and name CB) (resid 145 and name CG1) 1.0 -60.0 30.0 2 !ILE
assign (resid 157 and name N) (resid 157 and name CA)
(resid 157 and name CB) (resid 157 and name CG1) 1.0 -60.0 30.0 2 !ILE
assign (resid 164 and name N) (resid 164 and name CA)
(resid 164 and name CB) (resid 164 and name CG1) 1.0 -60.0 30.0 2 !ILE
!
!VALINES
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name CB) (resid 18 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 25 and name N) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 36 and name N) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 41 and name N) (resid 41 and name CA)
(resid 41 and name CB) (resid 41 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 56 and name N) (resid 56 and name CA)
(resid 56 and name CB) (resid 56 and name CG1) 1.0 -60.0 30.0 2 !VAL
assign (resid 59 and name N) (resid 59 and name CA)
(resid 59 and name CB) (resid 59 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 61 and name N) (resid 61 and name CA)
(resid 61 and name CB) (resid 61 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 78 and name N) (resid 78 and name CA)
(resid 78 and name CB) (resid 78 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 80 and name N) (resid 80 and name CA)
(resid 80 and name CB) (resid 80 and name CG1) 1.0 -60.0 30.0 2 !VAL
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name CB) (resid 84 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 100 and name N) (resid 100 and name CA)
(resid 100 and name CB) (resid 100 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 101 and name N) (resid 101 and name CA)
(resid 101 and name CB) (resid 101 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 140 and name N) (resid 140 and name CA)
(resid 140 and name CB) (resid 140 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 153 and name N) (resid 153 and name CA)
(resid 153 and name CB) (resid 153 and name CG1) 1.0 180.0 30.0 2 !VAL
!
!THREONINES
!THR 37 struggling to fit to 60, therefore removed. stu 4/5/01
!assign (resid 37 and name N) (resid 37 and name CA)
! (resid 37 and name CB) (resid 37 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 47 and name N) (resid 47 and name CA)
(resid 47 and name CB) (resid 47 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 60 and name N) (resid 60 and name CA)
(resid 60 and name CB) (resid 60 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 74 and name N) (resid 74 and name CA)
(resid 74 and name CB) (resid 74 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 87 and name N) (resid 87 and name CA)
(resid 87 and name CB) (resid 87 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 89 and name N) (resid 89 and name CA)
(resid 89 and name CB) (resid 89 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 104 and name N) (resid 104 and name CA)
(resid 104 and name CB) (resid 104 and name OG1) 1.0 60.0 30.0 2 !THR
!THR 122 struggling to fit to 60, therefore removed. stu 4/5/01
!assign (resid 122 and name N) (resid 122 and name CA)
! (resid 122 and name CB) (resid 122 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 123 and name N) (resid 123 and name CA)
(resid 123 and name CB) (resid 123 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 129 and name N) (resid 129 and name CA)
(resid 129 and name CB) (resid 129 and name OG1) 1.0 180.0 30.0 2 !THR
assign (resid 156 and name N) (resid 156 and name CA)
(resid 156 and name CB) (resid 156 and name OG1) 1.0 -60.0 30.0 2 !THR
!
!AMX
assign (resid 42 and name N) (resid 42 and name CA)
(resid 42 and name CB) (resid 42 and name CG) 1.0 -60.0 30.0 2 !PHE
assign (resid 91 and name N) (resid 91 and name CA)
(resid 91 and name CB) (resid 91 and name CG) 1.0 -60.0 30.0 2 !TRP
assign (resid 103 and name N) (resid 103 and name CA)
(resid 103 and name CB) (resid 103 and name CG) 1.0 -60.0 30.0 2 !PHE
assign (resid 113 and name N) (resid 113 and name CA)
(resid 113 and name CB) (resid 113 and name CG) 1.0 -60.0 30.0 2 !TYR
!PHE 128 removed as struggling to fit to 60, stu 4/5/01.
! Need to check new 3d noesy for this residue so that position of ring can be defined.
!seems to be too exposed on the surface of the molecule at the moment but very few noes currently to this residue.
!assign (resid 128 and name N) (resid 128 and name CA)
! (resid 128 and name CB) (resid 128 and name CG) 1.0 -60.0 30.0 2 !PHE
assign (resid 158 and name N) (resid 158 and name CA)
(resid 158 and name CB) (resid 158 and name CG) 1.0 -60.0 30.0 2 !TYR
!
!new chi constraints added 04/05/01
assign (resid 2 and name N) (resid 2 and name CA)
(resid 2 and name CB) (resid 2 and name CG) 1.0 -60.0 30.0 2 !LEU
assign (resid 3 and name N) (resid 3 and name CA)
(resid 3 and name CB) (resid 3 and name CG1) 1.0 60.0 30.0 2 !VAL
assign (resid 13 and name N) (resid 13 and name CA)
(resid 13 and name CB) (resid 13 and name OG1) 1.0 -60.0 30.0 2 !THR
assign (resid 21 and name N) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG) 1.0 60.0 30.0 2 !LEU
assign (resid 23 and name N) (resid 23 and name CA)
(resid 23 and name CB) (resid 23 and name CG) 1.0 60.0 30.0 2 !GLU
assign (resid 26 and name N) (resid 26 and name CA)
(resid 26 and name CB) (resid 26 and name CG) 1.0 180.0 30.0 2 !GLU
assign (resid 30 and name N) (resid 30 and name CA)
(resid 30 and name CB) (resid 30 and name CG) 1.0 -60.0 30.0 2 !LEU
assign (resid 31 and name N) (resid 31 and name CA)
(resid 31 and name CB) (resid 31 and name CG) 1.0 -60.0 30.0 2 !ASN
assign (resid 32 and name N) (resid 32 and name CA)
(resid 32 and name CB) (resid 32 and name CG1) 1.0 -60.0 40.0 2 !VAL
assign (resid 43 and name N) (resid 43 and name CA)
(resid 43 and name CB) (resid 43 and name CG) 1.0 180.0 30.0 2 !GLU
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name CB) (resid 44 and name CG1) 1.0 180.0 30.0 2 !LEU
assign (resid 57 and name N) (resid 57 and name CA)
(resid 57 and name CB) (resid 57 and name CG) 1.0 180.0 30.0 2 !LEU
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name CB) (resid 62 and name CG) 1.0 60.0 30.0 2 !ASN
assign (resid 64 and name N) (resid 64 and name CA)
(resid 64 and name CB) (resid 64 and name CG1) 1.0 -60.0 30.0 2 !VAL
assign (resid 70 and name N) (resid 70 and name CA)
(resid 70 and name CB) (resid 70 and name CG) 1.0 -60.0 30.0 2 !ASP
assign (resid 76 and name N) (resid 76 and name CA)
(resid 76 and name CB) (resid 76 and name CG) 1.0 60.0 30.0 2 !PHE
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name CB) (resid 79 and name CG) 1.0 -60.0 30.0 2 !ASN
assign (resid 86 and name N) (resid 86 and name CA)
(resid 86 and name CB) (resid 86 and name CG) 1.0 -60.0 30.0 2 !TYR
assign (resid 90 and name N) (resid 90 and name CA)
(resid 90 and name CB) (resid 90 and name CG1) 1.0 180.0 30.0 2 !ILE
assign (resid 108 and name N) (resid 108 and name CA)
(resid 108 and name CB) (resid 108 and name CG) 1.0 -60.0 30.0 2 !GLN
assign (resid 112 and name N) (resid 112 and name CA)
(resid 112 and name CB) (resid 112 and name CG) 1.0 180.0 30.0 2 !GLU
assign (resid 120 and name N) (resid 120 and name CA)
(resid 120 and name CB) (resid 120 and name CG) 1.0 -60.0 30.0 2 !GLN
assign (resid 124 and name N) (resid 124 and name CA)
(resid 124 and name CB) (resid 124 and name CG) 1.0 -60.0 30.0 2 !GLU
assign (resid 125 and name N) (resid 125 and name CA)
(resid 125 and name CB) (resid 125 and name CG) 1.0 -60.0 30.0 2 !TRP
assign (resid 130 and name N) (resid 130 and name CA)
(resid 130 and name CB) (resid 130 and name CG) 1.0 60.0 30.0 2 !PHE
assign (resid 131 and name N) (resid 131 and name CA)
(resid 131 and name CB) (resid 131 and name CG) 1.0 -60.0 30.0 2 !GLU
assign (resid 134 and name N) (resid 134 and name CA)
(resid 134 and name CB) (resid 134 and name CG1) 1.0 180.0 30.0 2 !VAL
assign (resid 138 and name N) (resid 138 and name CA)
(resid 138 and name CB) (resid 138 and name CG) 1.0 -60.0 30.0 2 !GLU
assign (resid 139 and name N) (resid 139 and name CA)
(resid 139 and name CB) (resid 139 and name OG1) 1.0 60.0 30.0 2 !THR
assign (resid 142 and name N) (resid 142 and name CA)
(resid 142 and name CB) (resid 142 and name CG) 1.0 60.0 30.0 2 !ARG
assign (resid 147 and name N) (resid 147 and name CA)
(resid 147 and name CB) (resid 147 and name CG) 1.0 -60.0 30.0 2 !PHE
assign (resid 149 and name N) (resid 149 and name CA)
(resid 149 and name CB) (resid 149 and name CG) 1.0 -60.0 30.0 2 !TYR
assign (resid 159 and name N) (resid 159 and name CA)
(resid 159 and name CB) (resid 159 and name CG1) 1.0 -60.0 30.0 2 !ILE
assign (resid 162 and name N) (resid 162 and name CA)
(resid 162 and name CB) (resid 162 and name CG) 1.0 180.0 30.0 2 !LEU
!added 18/05/01
assign (resid 110 and name N) (resid 110 and name CA)
(resid 110 and name CB) (resid 110 and name CG) 1.0 -60.0 30.0 2 !PHE
!added 01/06/01
assign (resid 29 and name N) (resid 29 and name CA)
(resid 29 and name CB) (resid 29 and name CG) 1.0 -60.0 40.0 2 !ASP
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name CB) (resid 69 and name CG) 1.0 60.0 30.0 2 !TRP
assign (resid 67 and name N) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG) 1.0 -60.0 30.0 2 !ASN
!added 04/06/01
assign (resid 69 and name CA) (resid 69 and name CB)
(resid 69 and name CG) (resid 69 and name CD1) 1.0 60.0 40.0 2 !TRP
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