NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
18951 | 2e8d | 10022 | cing | 1-original | 1 | XPLOR/CNS | distance | general distance | simple |
!!K3 amyloid fibrils (20% TFE 10 mM HCl) for 4 mol(1) !!Distance restraints !Molecular A (1-22) !Ser20 !Asn21 !Phe22 assign ( resid 3 and name CA ) ( resid 4 and name CD1# ) 4.5 2.0 2.0 !Phe22Ca-Leu23Cd assign ( resid 3 and name CE1# ) ( resid 5 and name CA ) 3.5 1.0 1.0 !Phe22Ce-Asn24Ca assign ( resid 3 and name CZ ) ( resid 5 and name CA ) 3.5 1.0 1.0 !Phe22Cz-Asn24Ca assign ( resid 3 and name CD2# ) ( resid 20 and name CG ) 4.5 2.0 2.0 !Phe22Cd-Leu39Cr !Leu23 !Asn24 assign ( resid 5 and name CB ) ( resid 18 and name CG1# ) 4.5 2.0 2.0 !Asn24Cb-Val37Cr !Cys25 !Tyr26 assign ( resid 7 and name CG ) ( resid 7 and name C ) 3.5 1.0 1.0 !Tyr26Cd-Tyr26Co assign ( resid 7 and name CD2# ) ( resid 8 and name CA ) 4.0 1.5 1.5 !Tyr26Ce-Val27Ca !Val27 !Ser28 !assign ( resid 9 and name CB ) ( resid 11 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca !Gly29 !Phe30 assign ( resid 11 and name CE2# ) ( resid 16 and name CG1# ) 4.0 1.5 1.5 !Phe30Ce-Ile35Cg !His31 !Pro32 !Ser33 !Asp34 !Ile35 !Glu36 assign ( resid 17 and name CA ) ( resid 18 and name CG2# ) 4.0 1.5 1.5 !Glu36Ca-Val37Cg !Val37 assign ( resid 18 and name CA ) ( resid 17 and name CG ) 4.0 1.5 1.5 !Val37Ca-Glu36Cg assign ( resid 18 and name CG1# ) ( resid 19 and name CA ) 3.5 1.0 1.0 !Val37Cg-Asp38Ca !Asp38 assign ( resid 19 and name CA ) ( resid 20 and name CD1# ) 4.5 2.0 2.0 !Asp38Ca-Leu39Cd !Leu39 !Leu40 !Lys41 !Molecular B (23-44) !Ser20 !Asn21 !Phe22 assign ( resid 25 and name CA ) ( resid 26 and name CD1# ) 4.5 2.0 2.0 !Phe22Ca-Leu23Cd assign ( resid 25 and name CE1# ) ( resid 27 and name CA ) 3.5 1.0 1.0 !Phe22Ce-Asn24Ca assign ( resid 25 and name CZ ) ( resid 27 and name CA ) 3.5 1.0 1.0 !Phe22Cz-Asn24Ca assign ( resid 25 and name CD2# ) ( resid 42 and name CG ) 4.5 2.0 2.0 !Phe22Cd-Leu39Cr !Leu23 !Asn24 assign ( resid 27 and name CB ) ( resid 40 and name CG1# ) 4.5 2.0 2.0 !Asn24Cb-Val37Cr !Cys25 !Tyr26 assign ( resid 29 and name CG ) ( resid 29 and name C ) 3.5 1.0 1.0 !Tyr26Cd-Tyr26Co assign ( resid 29 and name CD2# ) ( resid 30 and name CA ) 4.0 1.5 1.5 !Tyr26Ce-Val27Ca !Val27 !Ser28 !assign ( resid 31 and name CB ) ( resid 33 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca !Gly29 !Phe30 assign ( resid 33 and name CE2# ) ( resid 38 and name CG1# ) 4.0 1.5 1.5 !Phe30Ce-Ile35Cg !His31 !Pro32 !Ser33 !Asp34 !Ile35 !Glu36 assign ( resid 39 and name CA ) ( resid 40 and name CG2# ) 4.0 1.5 1.5 !Glu36Ca-Val37Cg !Val37 assign ( resid 40 and name CA ) ( resid 39 and name CG ) 4.0 1.5 1.5 !Val37Ca-Glu36Cg assign ( resid 40 and name CG1# ) ( resid 41 and name CA ) 3.5 1.0 1.0 !Val37Cg-Asp38Ca !Asp38 assign ( resid 41 and name CA ) ( resid 42 and name CD1# ) 4.5 2.0 2.0 !Asp38Ca-Leu39Cd !Leu39 !Leu40 !Lys41 !Molecular C (45-66) !Ser20 !Asn21 !Phe22 assign ( resid 47 and name CA ) ( resid 48 and name CD1# ) 4.5 2.0 2.0 !Phe22Ca-Leu23Cd assign ( resid 47 and name CE1# ) ( resid 49 and name CA ) 3.5 1.0 1.0 !Phe22Ce-Asn24Ca assign ( resid 47 and name CZ ) ( resid 49 and name CA ) 3.5 1.0 1.0 !Phe22Cz-Asn24Ca assign ( resid 47 and name CD2# ) ( resid 64 and name CG ) 4.5 2.0 2.0 !Phe22Cd-Leu39Cr !Leu23 !Asn24 assign ( resid 49 and name CB ) ( resid 62 and name CG1# ) 4.5 2.0 2.0 !Asn24Cb-Val37Cr !Cys25 !Tyr26 assign ( resid 51 and name CG ) ( resid 51 and name C ) 3.5 1.0 1.0 !Tyr26Ce-Val27Co assign ( resid 51 and name CD2# ) ( resid 52 and name CA ) 4.0 1.5 1.5 !Tyr26Ce-Val27Ca !Val27 !Ser28 !assign ( resid 53 and name CB ) ( resid 55 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca !Gly29 !Phe30 assign ( resid 55 and name CE2# ) ( resid 60 and name CG1# ) 4.0 1.5 1.5 !Phe30Ce-Ile35Cg !His31 !Pro32 !Ser33 !Asp34 !Ile35 !Glu36 assign ( resid 61 and name CA ) ( resid 62 and name CG2# ) 4.0 1.5 1.5 !Glu36Ca-Val37Cg !Val37 assign ( resid 62 and name CA ) ( resid 61 and name CG ) 4.0 1.5 1.5 !Val37Ca-Glu36Cg assign ( resid 62 and name CG1# ) ( resid 63 and name CA ) 3.5 1.0 1.0 !Val37Cg-Asp38Ca !Asp38 assign ( resid 63 and name CA ) ( resid 64 and name CD1# ) 4.5 2.0 2.0 !Asp38Ca-Leu39Cd !Leu39 !Leu40 !Lys41 !Molecular D (67-88) !Ser20 !Asn21 !Phe22 assign ( resid 69 and name CA ) ( resid 70 and name CD1# ) 4.5 2.0 2.0 !Phe22Ca-Leu23Cd assign ( resid 69 and name CE1# ) ( resid 71 and name CA ) 3.5 1.0 1.0 !Phe22Ca-Asn24Ca assign ( resid 69 and name CZ ) ( resid 71 and name CA ) 3.5 1.0 1.0 !Phe22Cz-Asn24Ca assign ( resid 69 and name CD2# ) ( resid 86 and name CG ) 4.5 2.0 2.0 !Phe22Cd-Leu39Cr !Leu23 !Asn24 assign ( resid 71 and name CB ) ( resid 84 and name CG1# ) 4.5 2.0 2.0 !Asn24Cb-Val37Cr !Cys25 !Tyr26 assign ( resid 73 and name CG ) ( resid 71 and name C ) 3.5 1.0 1.0 !Tyr26Ce-Tyr26Co assign ( resid 73 and name CD2# ) ( resid 74 and name CA ) 4.0 1.5 1.5 !Tyr26Ce-Val27Ca !Val27 !Ser28 !assign ( resid 75 and name CB ) ( resid 77 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca !Gly29 !Phe30 assign ( resid 77 and name CE2# ) ( resid 82 and name CG1# ) 4.0 1.5 1.5 !Phe30Ce-Ile35Cg !His31 !Pro32 !Ser33 !Asp34 !Ile35 !Glu36 assign ( resid 83 and name CA ) ( resid 84 and name CG2# ) 4.0 1.5 1.5 !Glu36Ca-Val37Cg !Val37 assign ( resid 84 and name CA ) ( resid 83 and name CG ) 4.0 1.5 1.5 !Val37Ca-Glu36Cg assign ( resid 84 and name CG1# ) ( resid 85 and name CA ) 3.5 1.0 1.0 !Val37Cg-Asp38Ca !Asp38 assign ( resid 85 and name CA ) ( resid 86 and name CD1# ) 4.5 2.0 2.0 !Asp38Ca-Leu39Cd !Leu39 !Leu40 !Lys41 !!Inter-molecular (Mol A-Mol B) !!Sidechain assign ( resid 3 and name CZ ) ( resid 42 and name CD1# ) 2.5 0.5 0.5 !Phe22Cz-Leu39Cd assign ( resid 3 and name CZ ) ( resid 42 and name CG ) 3.5 1.0 1.0 !Phe22Cz-Leu39Cg assign ( resid 3 and name CE2# ) ( resid 42 and name CG ) 3.5 1.0 1.0 !Phe22Ce-Leu39Cg assign ( resid 3 and name CE1# ) ( resid 40 and name CG1# ) 4.0 1.5 1.5 !Phe22Ce-Val37Cg assign ( resid 7 and name CE1# ) ( resid 33 and name CE1# ) 3.5 1.0 1.0 !Tyr26Ce-Phe30Ce assign ( resid 7 and name CZ ) ( resid 33 and name CZ ) 3.5 1.0 1.0 !Tyr26Cz-Phe30Cz assign ( resid 11 and name CE2# ) ( resid 36 and name CB ) 3.5 1.0 1.0 !Phe30Ce-Ser33Cb !!Hydrogen Bond assign ( resid 3 and name HN ) ( resid 24 and name O ) 1.8 0.5 0.5 !Phe22HN-Asn21CO assign ( resid 5 and name HN ) ( resid 26 and name O ) 1.8 0.5 0.5 !Asn24HN-Leu23CO assign ( resid 7 and name HN ) ( resid 28 and name O ) 1.8 0.5 0.5 !Tyr26HN-Cys25CO assign ( resid 9 and name HN ) ( resid 30 and name O ) 1.8 0.5 0.5 !Ser28HN-Val27CO assign ( resid 26 and name HN ) ( resid 3 and name O ) 1.8 0.5 0.5 !Phe22CO-Leu23NH assign ( resid 28 and name HN ) ( resid 5 and name O ) 1.8 0.5 0.5 !Asn24CO-Cys25NH assign ( resid 30 and name HN ) ( resid 7 and name O ) 1.8 0.5 0.5 !Tyr26CO-Val27NH assign ( resid 16 and name HN ) ( resid 37 and name O ) 1.8 0.5 0.5 !Ile35HN-Asp34CO assign ( resid 18 and name HN ) ( resid 39 and name O ) 1.8 0.5 0.5 !Val37HN-Glu36CO assign ( resid 20 and name HN ) ( resid 41 and name O ) 1.8 0.5 0.5 !Leu39HN-Asp38CO assign ( resid 37 and name HN ) ( resid 14 and name O ) 1.8 0.5 0.5 !Ser33CO-Asn34NH assign ( resid 39 and name HN ) ( resid 16 and name O ) 1.8 0.5 0.5 !Ile35CO-Glu36NH assign ( resid 41 and name HN ) ( resid 18 and name O ) 1.8 0.5 0.5 !Val37CO-Asn38NH assign ( resid 43 and name HN ) ( resid 20 and name O ) 1.8 0.5 0.5 !Leu39CO-Leu40NH !!Inter-molecular (Mol B-Mol C) !!Sidechain assign ( resid 25 and name CZ ) ( resid 64 and name CD1# ) 2.5 0.5 0.5 !Phe22Cz-Leu39Cd assign ( resid 25 and name CZ ) ( resid 64 and name CG ) 3.5 1.0 1.0 !Phe22Cz-Leu39Cg assign ( resid 25 and name CE2# ) ( resid 64 and name CG ) 3.5 1.0 1.0 !Phe22Ce-Leu39Cg assign ( resid 25 and name CE1# ) ( resid 62 and name CG1# ) 4.0 1.5 1.5 !Phe22Ce-Val37Cg assign ( resid 29 and name CE1# ) ( resid 55 and name CE1# ) 3.5 1.0 1.0 !Tyr26Ce-Phe30Ce assign ( resid 29 and name CZ ) ( resid 55 and name CZ ) 3.5 1.0 1.0 !Tyr26Cz-Phe30Cz assign ( resid 33 and name CE2# ) ( resid 58 and name CB ) 3.5 1.0 1.0 !Phe30Ce-Ser33Cb !!Hydrogen Bond assign ( resid 25 and name HN ) ( resid 46 and name O ) 1.8 0.5 0.5 !Phe22HN-Asn21CO assign ( resid 27 and name HN ) ( resid 48 and name O ) 1.8 0.5 0.5 !Asn24HN-Leu23CO assign ( resid 29 and name HN ) ( resid 50 and name O ) 1.8 0.5 0.5 !Tyr26HN-Cys25CO assign ( resid 31 and name HN ) ( resid 52 and name O ) 1.8 0.5 0.5 !Ser28HN-Val27CO assign ( resid 48 and name HN ) ( resid 25 and name O ) 1.8 0.5 0.5 !Phe22CO-Leu23NH assign ( resid 50 and name HN ) ( resid 27 and name O ) 1.8 0.5 0.5 !Asn24CO-Cys25NH assign ( resid 52 and name HN ) ( resid 29 and name O ) 1.8 0.5 0.5 !Tyr26CO-Val27NH assign ( resid 38 and name HN ) ( resid 59 and name O ) 1.8 0.5 0.5 !Ile35HN-Asp34CO assign ( resid 40 and name HN ) ( resid 61 and name O ) 1.8 0.5 0.5 !Val37HN-Glu36CO assign ( resid 42 and name HN ) ( resid 63 and name O ) 1.8 0.5 0.5 !Leu39HN-Asp38CO assign ( resid 59 and name HN ) ( resid 36 and name O ) 1.8 0.5 0.5 !Ser33CO-Asn34NH assign ( resid 61 and name HN ) ( resid 38 and name O ) 1.8 0.5 0.5 !Ile35CO-Glu36NH assign ( resid 63 and name HN ) ( resid 40 and name O ) 1.8 0.5 0.5 !Val37CO-Asn38NH assign ( resid 65 and name HN ) ( resid 42 and name O ) 1.8 0.5 0.5 !Leu39CO-Leu40NH !!Inter-molecular (Mol C-Mol D) !!Sidechain assign ( resid 47 and name CZ ) ( resid 86 and name CD1# ) 2.5 0.5 0.5 !Phe22Cz-Leu39Cd assign ( resid 47 and name CZ ) ( resid 86 and name CG ) 3.5 1.0 1.0 !Phe22Cz-Leu39Cg assign ( resid 47 and name CE2# ) ( resid 86 and name CG ) 3.5 1.0 1.0 !Phe22Ce-Leu39Cg assign ( resid 47 and name CE1# ) ( resid 84 and name CG1# ) 4.0 1.5 1.5 !Phe22Ce-Val37Cg assign ( resid 51 and name CE1# ) ( resid 77 and name CE1# ) 3.5 1.0 1.0 !Tyr26Ce-Phe30Ce assign ( resid 51 and name CZ ) ( resid 77 and name CZ ) 3.5 1.0 1.0 !Tyr26Cz-Phe30Cz assign ( resid 55 and name CE2# ) ( resid 80 and name CB ) 3.5 1.0 1.0 !Phe30Ce-Ser33Cb !!Hydrogen Bond assign ( resid 47 and name HN ) ( resid 68 and name O ) 1.8 0.5 0.5 !Phe22HN-Asn21CO assign ( resid 49 and name HN ) ( resid 70 and name O ) 1.8 0.5 0.5 !Asn24HN-Leu23CO assign ( resid 51 and name HN ) ( resid 72 and name O ) 1.8 0.5 0.5 !Tyr26HN-Cys25CO assign ( resid 53 and name HN ) ( resid 74 and name O ) 1.8 0.5 0.5 !Ser28HN-Val27CO assign ( resid 70 and name HN ) ( resid 47 and name O ) 1.8 0.5 0.5 !Phe22CO-Leu23NH assign ( resid 72 and name HN ) ( resid 49 and name O ) 1.8 0.5 0.5 !Asn24CO-Cys25NH assign ( resid 74 and name HN ) ( resid 51 and name O ) 1.8 0.5 0.5 !Tyr26CO-Val27NH assign ( resid 60 and name HN ) ( resid 81 and name O ) 1.8 0.5 0.5 !Ile35HN-Asp34CO assign ( resid 62 and name HN ) ( resid 83 and name O ) 1.8 0.5 0.5 !Val37HN-Glu36CO assign ( resid 64 and name HN ) ( resid 85 and name O ) 1.8 0.5 0.5 !Leu39HN-Asp38CO assign ( resid 81 and name HN ) ( resid 58 and name O ) 1.8 0.5 0.5 !Ser33CO-Asn34NH assign ( resid 83 and name HN ) ( resid 60 and name O ) 1.8 0.5 0.5 !Ile35CO-Glu36NH assign ( resid 85 and name HN ) ( resid 62 and name O ) 1.8 0.5 0.5 !Val37CO-Asn38NH assign ( resid 87 and name HN ) ( resid 64 and name O ) 1.8 0.5 0.5 !Leu39CO-Leu40NH
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