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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13507 |
1uzc   |
5537 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
REMARK
REMARK B. NMR dihedral angle constraints
REMARK
REMARK i,j,k,l are the scale factor, the mid-point angle, the angle
REMARK half-width and the exponent, respectively. i.e. -60.0 +/-30
REMARK indicates that the square-well torsion angle potential extends
REMARK from -90 to -30 degrees.
REMARK
!Chi1 angle constraints
assign (resid 18 and name N ) (resid 18 and name CA)
(resid 18 and name CB) (resid 18 and name CG) 1.0 180.0 30.0 2
assign (resid 19 and name N ) (resid 19 and name CA)
(resid 19 and name CB) (resid 19 and name CG) 1.0 180.0 30.0 2
assign (resid 21 and name N ) (resid 21 and name CA)
(resid 21 and name CB) (resid 21 and name CG) 1.0 180.0 30.0 2
assign (resid 24 and name N ) (resid 24 and name CA)
(resid 24 and name CB) (resid 24 and name CG) 1.0 180.0 30.0 2
assign (resid 25 and name N ) (resid 25 and name CA)
(resid 25 and name CB) (resid 25 and name CG) 1.0 -60.0 30.0 2
assign (resid 28 and name N ) (resid 28 and name CA)
(resid 28 and name CB) (resid 28 and name CG) 1.0 -60.0 30.0 2
assign (resid 33 and name N ) (resid 33 and name CA)
(resid 33 and name CB) (resid 33 and name CG) 1.0 60.0 30.0 2
assign (resid 36 and name N ) (resid 36 and name CA)
(resid 36 and name CB) (resid 36 and name CG) 1.0 180.0 30.0 2
assign (resid 38 and name N ) (resid 38 and name CA)
(resid 38 and name CB) (resid 38 and name CG) 1.0 -60.0 30.0 2
assign (resid 40 and name N ) (resid 40 and name CA)
(resid 40 and name CB) (resid 40 and name CG) 1.0 180.0 30.0 2
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
assign (resid 46 and name N ) (resid 46 and name CA)
(resid 46 and name CB) (resid 46 and name CG) 1.0 180.0 30.0 2
assign (resid 48 and name N ) (resid 48 and name CA)
(resid 48 and name CB) (resid 48 and name CG) 1.0 -60.0 30.0 2
assign (resid 49 and name N ) (resid 49 and name CA)
(resid 49 and name CB) (resid 49 and name CG) 1.0 180.0 30.0 2
assign (resid 59 and name N ) (resid 59 and name CA)
(resid 59 and name CB) (resid 59 and name CG) 1.0 -60.0 30.0 2
assign (resid 62 and name N ) (resid 62 and name CA)
(resid 62 and name CB) (resid 62 and name CG) 1.0 180.0 30.0 2
assign (resid 65 and name N ) (resid 65 and name CA)
(resid 65 and name CB) (resid 65 and name CG) 1.0 180.0 30.0 2
assign (resid 66 and name N ) (resid 66 and name CA)
(resid 66 and name CB) (resid 66 and name CG) 1.0 -60.0 30.0 2
!Chi1 angle constraints Valines
assign (resid 30 and name N ) (resid 30 and name CA)
(resid 30 and name CB) (resid 30 and name CG1) 1.0 180.0 30.0 2
assign (resid 67 and name N ) (resid 67 and name CA)
(resid 67 and name CB) (resid 67 and name CG1) 1.0 180.0 30.0 2
!TALOS Phi and Psi angle constraints
assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA) (resid 8 and name C ) 1 -101.0 17.2 2
assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name C ) 1 -119.8 27.5 2
assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA) (resid 14 and name C ) 1 -64.0 4.0 2
assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name C ) 1 -63.1 5.5 2
assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA) (resid 16 and name C ) 1 -66.2 4.8 2
assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA) (resid 17 and name C ) 1 -64.6 6.6 2
assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA) (resid 18 and name C ) 1 -61.1 8.2 2
assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA) (resid 19 and name C ) 1 -67.9 3.2 2
assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA) (resid 20 and name C ) 1 -66.8 4.0 2
assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name C ) 1 -68.1 8.7 2
assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA) (resid 22 and name C ) 1 -64.8 7.8 2
assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA) (resid 23 and name C ) 1 -66.8 6.9 2
assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA) (resid 24 and name C ) 1 -68.3 6.4 2
assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA) (resid 25 and name C ) 1 -64.2 4.7 2
assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA) (resid 26 and name C ) 1 -64.6 6.7 2
assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA) (resid 27 and name C ) 1 -66.3 10.9 2
assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA) (resid 28 and name C ) 1 -92.1 12.9 2
assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA) (resid 32 and name C ) 1 -70.0 5.7 2
assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA) (resid 35 and name C ) 1 -97.0 11.0 2
assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA) (resid 36 and name C ) 1 -60.0 10.0 2
assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA) (resid 37 and name C ) 1 -60.1 5.3 2
assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA) (resid 38 and name C ) 1 -67.5 5.5 2
assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA) (resid 39 and name C ) 1 -67.2 5.6 2
assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA) (resid 40 and name C ) 1 -65.8 9.0 2
assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA) (resid 41 and name C ) 1 -62.9 8.1 2
assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA) (resid 42 and name C ) 1 -69.8 12.1 2
assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA) (resid 43 and name C ) 1 -92.3 17.2 2
assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA) (resid 46 and name C ) 1 -103.0 22.0 2
assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA) (resid 47 and name C ) 1 -58.8 7.4 2
assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA) (resid 48 and name C ) 1 -66.5 7.7 2
assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA) (resid 49 and name C ) 1 -70.0 9.4 2
assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA) (resid 50 and name C ) 1 -93.0 19.0 2
assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA) (resid 55 and name C ) 1 -58.0 12.0 2
assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA) (resid 56 and name C ) 1 -64.7 5.6 2
assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA) (resid 57 and name C ) 1 -66.4 5.5 2
assign (resid 57 and name C ) (resid 58 and name N ) (resid 58 and name CA) (resid 58 and name C ) 1 -64.4 4.9 2
assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA) (resid 59 and name C ) 1 -65.4 7.2 2
assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA) (resid 60 and name C ) 1 -66.5 4.8 2
assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA) (resid 61 and name C ) 1 -65.8 8.2 2
assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA) (resid 62 and name C ) 1 -64.5 5.1 2
assign (resid 62 and name C ) (resid 63 and name N ) (resid 63 and name CA) (resid 63 and name C ) 1 -63.4 4.8 2
assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA) (resid 64 and name C ) 1 -63.9 7.3 2
assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA) (resid 65 and name C ) 1 -66.4 4.0 2
assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA) (resid 66 and name C ) 1 -65.3 5.4 2
assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA) (resid 67 and name C ) 1 -78.2 15.7 2
assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA) (resid 7 and name C ) 1 -95.0 20.0 2
assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA) (resid 9 and name C ) 1 -97.0 21.0 2
assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA) (resid 10 and name C ) 1 -99.0 31.0 2
assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA) (resid 11 and name C ) 1 -108.0 22.0 2
assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA) (resid 29 and name C ) 1 58.0 17.0 2
assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA) (resid 33 and name C ) 1 -98.0 22.0 2
assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA) (resid 44 and name C ) 1 -84.0 17.0 2
assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA) (resid 51 and name C ) 1 -75.0 13.0 2
assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA) (resid 53 and name C ) 1 -66.0 11.0 2
assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA) (resid 68 and name C ) 1 -82.0 21.0 2
assign (resid 68 and name C ) (resid 69 and name N ) (resid 69 and name CA) (resid 69 and name C ) 1 -102.0 12.0 2
assign (resid 8 and name N ) (resid 8 and name CA) (resid 8 and name C ) (resid 9 and name N ) 1 141.0 21.7 2
assign (resid 13 and name N ) (resid 13 and name CA) (resid 13 and name C ) (resid 14 and name N ) 1 162.2 14.2 2
assign (resid 14 and name N ) (resid 14 and name CA) (resid 14 and name C ) (resid 15 and name N ) 1 -33.0 8.0 2
assign (resid 15 and name N ) (resid 15 and name CA) (resid 15 and name C ) (resid 16 and name N ) 1 -40.3 7.7 2
assign (resid 16 and name N ) (resid 16 and name CA) (resid 16 and name C ) (resid 17 and name N ) 1 -41.0 6.0 2
assign (resid 17 and name N ) (resid 17 and name CA) (resid 17 and name C ) (resid 18 and name N ) 1 -39.4 7.0 2
assign (resid 18 and name N ) (resid 18 and name CA) (resid 18 and name C ) (resid 19 and name N ) 1 -38.6 11.8 2
assign (resid 19 and name N ) (resid 19 and name CA) (resid 19 and name C ) (resid 20 and name N ) 1 -39.6 7.4 2
assign (resid 20 and name N ) (resid 20 and name CA) (resid 20 and name C ) (resid 21 and name N ) 1 -40.4 7.6 2
assign (resid 21 and name N ) (resid 21 and name CA) (resid 21 and name C ) (resid 22 and name N ) 1 -39.9 4.4 2
assign (resid 22 and name N ) (resid 22 and name CA) (resid 22 and name C ) (resid 23 and name N ) 1 -35.5 12.1 2
assign (resid 23 and name N ) (resid 23 and name CA) (resid 23 and name C ) (resid 24 and name N ) 1 -39.2 8.1 2
assign (resid 24 and name N ) (resid 24 and name CA) (resid 24 and name C ) (resid 25 and name N ) 1 -42.3 8.6 2
assign (resid 25 and name N ) (resid 25 and name CA) (resid 25 and name C ) (resid 26 and name N ) 1 -41.2 8.1 2
assign (resid 26 and name N ) (resid 26 and name CA) (resid 26 and name C ) (resid 27 and name N ) 1 -37.5 6.7 2
assign (resid 27 and name N ) (resid 27 and name CA) (resid 27 and name C ) (resid 28 and name N ) 1 -31.6 9.8 2
assign (resid 28 and name N ) (resid 28 and name CA) (resid 28 and name C ) (resid 29 and name N ) 1 -1.4 13.7 2
assign (resid 32 and name N ) (resid 32 and name CA) (resid 32 and name C ) (resid 33 and name N ) 1 -21.1 12.3 2
assign (resid 35 and name N ) (resid 35 and name CA) (resid 35 and name C ) (resid 36 and name N ) 1 166.0 17.0 2
assign (resid 36 and name N ) (resid 36 and name CA) (resid 36 and name C ) (resid 37 and name N ) 1 -35.0 6.0 2
assign (resid 37 and name N ) (resid 37 and name CA) (resid 37 and name C ) (resid 38 and name N ) 1 -38.9 9.3 2
assign (resid 38 and name N ) (resid 38 and name CA) (resid 38 and name C ) (resid 39 and name N ) 1 -38.5 6.5 2
assign (resid 39 and name N ) (resid 39 and name CA) (resid 39 and name C ) (resid 40 and name N ) 1 -39.4 9.1 2
assign (resid 40 and name N ) (resid 40 and name CA) (resid 40 and name C ) (resid 41 and name N ) 1 -39.1 9.2 2
assign (resid 41 and name N ) (resid 41 and name CA) (resid 41 and name C ) (resid 42 and name N ) 1 -38.0 8.7 2
assign (resid 42 and name N ) (resid 42 and name CA) (resid 42 and name C ) (resid 43 and name N ) 1 -30.8 8.8 2
assign (resid 43 and name N ) (resid 43 and name CA) (resid 43 and name C ) (resid 44 and name N ) 1 -18.7 14.5 2
assign (resid 46 and name N ) (resid 46 and name CA) (resid 46 and name C ) (resid 47 and name N ) 1 116.0 28.0 2
assign (resid 47 and name N ) (resid 47 and name CA) (resid 47 and name C ) (resid 48 and name N ) 1 -25.9 11.6 2
assign (resid 48 and name N ) (resid 48 and name CA) (resid 48 and name C ) (resid 49 and name N ) 1 -40.3 13.6 2
assign (resid 49 and name N ) (resid 49 and name CA) (resid 49 and name C ) (resid 50 and name N ) 1 -30.9 6.6 2
assign (resid 50 and name N ) (resid 50 and name CA) (resid 50 and name C ) (resid 51 and name N ) 1 -19.0 16.0 2
assign (resid 55 and name N ) (resid 55 and name CA) (resid 55 and name C ) (resid 56 and name N ) 1 -39.0 7.0 2
assign (resid 56 and name N ) (resid 56 and name CA) (resid 56 and name C ) (resid 57 and name N ) 1 -33.6 9.9 2
assign (resid 57 and name N ) (resid 57 and name CA) (resid 57 and name C ) (resid 58 and name N ) 1 -41.6 5.0 2
assign (resid 58 and name N ) (resid 58 and name CA) (resid 58 and name C ) (resid 59 and name N ) 1 -39.6 5.2 2
assign (resid 59 and name N ) (resid 59 and name CA) (resid 59 and name C ) (resid 60 and name N ) 1 -35.8 10.7 2
assign (resid 60 and name N ) (resid 60 and name CA) (resid 60 and name C ) (resid 61 and name N ) 1 -36.9 5.2 2
assign (resid 61 and name N ) (resid 61 and name CA) (resid 61 and name C ) (resid 62 and name N ) 1 -42.0 9.4 2
assign (resid 62 and name N ) (resid 62 and name CA) (resid 62 and name C ) (resid 63 and name N ) 1 -38.0 5.5 2
assign (resid 63 and name N ) (resid 63 and name CA) (resid 63 and name C ) (resid 64 and name N ) 1 -40.5 9.7 2
assign (resid 64 and name N ) (resid 64 and name CA) (resid 64 and name C ) (resid 65 and name N ) 1 -41.9 7.0 2
assign (resid 65 and name N ) (resid 65 and name CA) (resid 65 and name C ) (resid 66 and name N ) 1 -37.7 5.0 2
assign (resid 66 and name N ) (resid 66 and name CA) (resid 66 and name C ) (resid 67 and name N ) 1 -36.7 9.3 2
assign (resid 67 and name N ) (resid 67 and name CA) (resid 67 and name C ) (resid 68 and name N ) 1 -30.7 11.6 2
assign (resid 7 and name N ) (resid 7 and name CA) (resid 7 and name C ) (resid 8 and name N ) 1 146.0 20.0 2
assign (resid 9 and name N ) (resid 9 and name CA) (resid 9 and name C ) (resid 10 and name N ) 1 141.0 23.0 2
assign (resid 10 and name N ) (resid 10 and name CA) (resid 10 and name C ) (resid 11 and name N ) 1 152.0 21.0 2
assign (resid 11 and name N ) (resid 11 and name CA) (resid 11 and name C ) (resid 12 and name N ) 1 127.0 19.0 2
assign (resid 29 and name N ) (resid 29 and name CA) (resid 29 and name C ) (resid 30 and name N ) 1 36.0 24.0 2
assign (resid 33 and name N ) (resid 33 and name CA) (resid 33 and name C ) (resid 34 and name N ) 1 5.0 16.0 2
assign (resid 44 and name N ) (resid 44 and name CA) (resid 44 and name C ) (resid 45 and name N ) 1 -25.0 15.0 2
assign (resid 51 and name N ) (resid 51 and name CA) (resid 51 and name C ) (resid 52 and name N ) 1 -25.0 10.0 2
assign (resid 53 and name N ) (resid 53 and name CA) (resid 53 and name C ) (resid 54 and name N ) 1 -34.0 6.0 2
assign (resid 68 and name N ) (resid 68 and name CA) (resid 68 and name C ) (resid 69 and name N ) 1 -25.0 12.0 2
assign (resid 69 and name N ) (resid 69 and name CA) (resid 69 and name C ) (resid 70 and name N ) 1 5.0 15.0 2
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