NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
9408 |
1nxi   |
5589 | cing | recoord | 1-original | 3 | XPLOR/CNS | dihedral angle |
remarks table of backbone dihedrals
remarks : PHI CONSTRAINTS
remarks: HELIX
! phi is restrained to -57 + or - 25 degrees for J < 6
assign (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA ) (resid 10 and name C ) 1.0 -57.0 25 2
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA ) (resid 11 and name C ) 1.0 -57.0 25 2
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -57.0 25 2
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -57.0 25 2
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 -57.0 25 2
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -57.0 25 2
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -57.0 25 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -57.0 25 2
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -57.0 25 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -57.0 25 2
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -57.0 25 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -57.0 25 2
assign (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA ) (resid 50 and name C ) 1.0 -57.0 25 2
assign (resid 50 and name C ) (resid 51 and name N )
(resid 51 and name CA ) (resid 51 and name C ) 1.0 -57.0 25 2
assign (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA ) (resid 60 and name C ) 1.0 -57.0 25 2
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -57.0 25 2
assign (resid 93 and name C ) (resid 94 and name N )
(resid 94 and name CA ) (resid 94 and name C ) 1.0 -57.0 25 2
assign (resid 94 and name C ) (resid 95 and name N )
(resid 95 and name CA ) (resid 95 and name C ) 1.0 -57.0 25 2
assign (resid 96 and name C ) (resid 97 and name N )
(resid 97 and name CA ) (resid 97 and name C ) 1.0 -57.0 25 2
assign (resid 98 and name C ) (resid 99 and name N )
(resid 99 and name CA ) (resid 99 and name C ) 1.0 -57.0 25 2
assign (resid 100 and name C ) (resid 101 and name N )
(resid 101 and name CA ) (resid 101 and name C ) 1.0 -57.0 25 2
assign (resid 101 and name C ) (resid 102 and name N )
(resid 102 and name CA ) (resid 102 and name C ) 1.0 -57.0 25 2
assign (resid 103 and name C ) (resid 104 and name N )
(resid 104 and name CA ) (resid 104 and name C ) 1.0 -57.0 25 2
assign (resid 106 and name C ) (resid 107 and name N )
(resid 107 and name CA ) (resid 107 and name C ) 1.0 -57.0 25 2
assign (resid 107 and name C ) (resid 108 and name N )
(resid 108 and name CA ) (resid 108 and name C ) 1.0 -57.0 25 2
assign (resid 108 and name C ) (resid 109 and name N )
(resid 109 and name CA ) (resid 109 and name C ) 1.0 -57.0 25 2
assign (resid 109 and name C ) (resid 110 and name N )
(resid 110 and name CA ) (resid 110 and name C ) 1.0 -57.0 25 2
remarks: SHEET
! phi is restrained to -139 (used to be -120) + or - 40 degrees for J > 8
assign (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA ) (resid 39 and name C ) 1.0 -139.0 40 2
assign (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA ) (resid 40 and name C ) 1.0 -139.0 40 2
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -139.0 40 2
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -139.0 40 2
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -139.0 40 2
assign (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA ) (resid 47 and name C ) 1.0 -139.0 40 2
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -139.0 40 2
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -139.0 40 2
assign (resid 80 and name C ) (resid 81 and name N )
(resid 81 and name CA ) (resid 81 and name C ) 1.0 -139.0 40 2
assign (resid 82 and name C ) (resid 83 and name N )
(resid 83 and name CA ) (resid 83 and name C ) 1.0 -139.0 40 2
assign (resid 86 and name C ) (resid 87 and name N )
(resid 87 and name CA ) (resid 87 and name C ) 1.0 -139.0 40 2
assign (resid 87 and name C ) (resid 88 and name N )
(resid 88 and name CA ) (resid 88 and name C ) 1.0 -139.0 40 2
assign (resid 115 and name C ) (resid 116 and name N )
(resid 116 and name CA ) (resid 116 and name C ) 1.0 -139.0 40 2
assign (resid 117 and name C ) (resid 118 and name N )
(resid 118 and name CA ) (resid 118 and name C ) 1.0 -139.0 40 2
remarks: OTHER
! phi is restrained to -57 + or - 30 degrees for J < 6
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -57.0 30 2
! phi is restrained to -130 + or - 50 degrees for J > 8
assign (resid 92 and name C ) (resid 93 and name N )
(resid 93 and name CA ) (resid 93 and name C ) 1.0 -130.0 50 2
assign (resid 112 and name C ) (resid 113 and name N )
(resid 113 and name CA ) (resid 113 and name C ) 1.0 -130.0 50 2
remarks: PSI CONSTRAINTS
remarks: HELIX
assign (resid 10 and name N ) (resid 10 and name CA )
(resid 10 and name C ) (resid 11 and name N ) 1.0 -47.0 30 2
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 -47.0 30 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 -47.0 30 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 -47.0 30 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 -47.0 30 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 -47.0 30 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 -47.0 30 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 -47.0 30 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 -47.0 30 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -47.0 30 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -47.0 30 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 -47.0 30 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -47.0 30 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 -47.0 30 2
assign (resid 51 and name N ) (resid 51 and name CA )
(resid 51 and name C ) (resid 52 and name N ) 1.0 -47.0 30 2
assign (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C ) (resid 53 and name N ) 1.0 -47.0 30 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 -47.0 30 2
assign (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name C ) (resid 56 and name N ) 1.0 -47.0 30 2
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 -47.0 30 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 -47.0 30 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 -47.0 30 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 -47.0 30 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 -47.0 30 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 -47.0 30 2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name C ) (resid 64 and name N ) 1.0 -47.0 30 2
assign (resid 95 and name N ) (resid 95 and name CA )
(resid 95 and name C ) (resid 96 and name N ) 1.0 -47.0 30 2
assign (resid 97 and name N ) (resid 97 and name CA )
(resid 97 and name C ) (resid 98 and name N ) 1.0 -47.0 30 2
assign (resid 98 and name N ) (resid 98 and name CA )
(resid 98 and name C ) (resid 99 and name N ) 1.0 -47.0 30 2
assign (resid 99 and name N ) (resid 99 and name CA )
(resid 99 and name C ) (resid 100 and name N ) 1.0 -47.0 30 2
assign (resid 100 and name N ) (resid 100 and name CA )
(resid 100 and name C ) (resid 101 and name N ) 1.0 -47.0 30 2
assign (resid 101 and name N ) (resid 101 and name CA )
(resid 101 and name C ) (resid 102 and name N ) 1.0 -47.0 30 2
assign (resid 102 and name N ) (resid 102 and name CA )
(resid 102 and name C ) (resid 103 and name N ) 1.0 -47.0 30 2
assign (resid 103 and name N ) (resid 103 and name CA )
(resid 103 and name C ) (resid 104 and name N ) 1.0 -47.0 30 2
assign (resid 105 and name N ) (resid 105 and name CA )
(resid 105 and name C ) (resid 106 and name N ) 1.0 -47.0 30 2
assign (resid 106 and name N ) (resid 106 and name CA )
(resid 106 and name C ) (resid 107 and name N ) 1.0 -47.0 30 2
assign (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name C ) (resid 108 and name N ) 1.0 -47.0 30 2
assign (resid 108 and name N ) (resid 108 and name CA )
(resid 108 and name C ) (resid 109 and name N ) 1.0 -47.0 30 2
assign (resid 109 and name N ) (resid 109 and name CA )
(resid 109 and name C ) (resid 110 and name N ) 1.0 -47.0 30 2
assign (resid 110 and name N ) (resid 110 and name CA )
(resid 110 and name C ) (resid 111 and name N ) 1.0 -47.0 30 2
assign (resid 111 and name N ) (resid 111 and name CA )
(resid 111 and name C ) (resid 112 and name N ) 1.0 -47.0 30 2
remarks: SHEET
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 140.0 40 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 140.0 40 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 140.0 40 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 140.0 40 2
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 140.0 40 2
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 140.0 40 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 140.0 40 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 140.0 40 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 140.0 40 2
assign (resid 82 and name N ) (resid 82 and name CA )
(resid 82 and name C ) (resid 83 and name N ) 1.0 140.0 40 2
assign (resid 83 and name N ) (resid 83 and name CA )
(resid 83 and name C ) (resid 84 and name N ) 1.0 140.0 40 2
assign (resid 84 and name N ) (resid 84 and name CA )
(resid 84 and name C ) (resid 85 and name N ) 1.0 140.0 40 2
assign (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C ) (resid 86 and name N ) 1.0 140.0 40 2
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C ) (resid 87 and name N ) 1.0 140.0 40 2
assign (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name C ) (resid 88 and name N ) 1.0 140.0 40 2
assign (resid 89 and name N ) (resid 89 and name CA )
(resid 89 and name C ) (resid 90 and name N ) 1.0 140.0 40 2
assign (resid 113 and name N ) (resid 113 and name CA )
(resid 113 and name C ) (resid 114 and name N ) 1.0 140.0 40 2
assign (resid 114 and name N ) (resid 114 and name CA )
(resid 114 and name C ) (resid 115 and name N ) 1.0 140.0 40 2
assign (resid 118 and name N ) (resid 118 and name CA )
(resid 118 and name C ) (resid 119 and name N ) 1.0 140.0 40 2
assign (resid 119 and name N ) (resid 119 and name CA )
(resid 119 and name C ) (resid 120 and name N ) 1.0 140.0 40 2
assign (resid 120 and name N ) (resid 120 and name CA )
(resid 120 and name C ) (resid 121 and name N ) 1.0 140.0 40 2
assign (resid 121 and name N ) (resid 121 and name CA )
(resid 121 and name C ) (resid 122 and name N ) 1.0 140.0 40 2
remarks: X1 restraints
remarks: Threonine
! T21, HNHB small, NOEab small, constrained to g+
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name CB ) (resid 21 and name OG1 ) 1.0 -60.0 30 2
! T120, HNHB small, NOEab strong, constrained to t
assign (resid 120 and name N ) (resid 120 and name CA )
(resid 120 and name CB ) (resid 120 and name OG1 ) 1.0 180.0 30 2
remarks: Isoleucine
! I24, HNHB small, NOEab small, constrained to g+
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name CB ) (resid 24 and name CG1 ) 1.0 -60.0 30 2
! I25, HNHB small, NOEab small, constrained to g+
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name CB ) (resid 25 and name CG1 ) 1.0 -60.0 30 2
! I41, HNHB small, NOEab small, constrained to g+
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name CB ) (resid 41 and name CG1 ) 1.0 -60.0 30 2
! I97, HNHB small, NOEab small, constrained to g+
assign (resid 97 and name N ) (resid 97 and name CA )
(resid 97 and name CB ) (resid 97 and name CG1 ) 1.0 -60.0 30 2
! I113, HNHB strong, constrained to g-
assign (resid 113 and name N ) (resid 113 and name CA )
(resid 113 and name CB ) (resid 113 and name CG1 ) 1.0 60.0 30 2
! I114, HNHB small, NOEab strong, constrained to t
assign (resid 114 and name N ) (resid 114 and name CA )
(resid 114 and name CB ) (resid 114 and name CG1 ) 1.0 180.0 30 2
remarks: Valine
! V67, HNHB small, NOEab med, constrained to g-
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name CB ) (resid 67 and name CG1 ) 1.0 60.0 30 2
! V101, HNHB small, NOEab small, constrained to t
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 2
! V105, HNHB small, NOEab small, constrained to t
assign (resid 105 and name N ) (resid 105 and name CA )
(resid 105 and name CB ) (resid 105 and name CG1 ) 1.0 180.0 30 2
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