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 |
|
|
583031 |
2mp5   |
19963 | cing | 1-original | 4 | XPLOR/CNS | dihedral angle |
!#################################################################
! BITISTATIN isoform "B"
! DIHEDRAL CONSTRAINTS
!#################################################################
# REMARK error margins are set to conservative default values of double the standard deviation observed in TALOS+. capped at a minimum of +/-20 degree.
assign (resid 3 and name C ) (resid 4 and name N )
(resid 4 and name CA ) (resid 4 and name C ) 1.0 -87.2 32.4 2
assign (resid 4 and name N ) (resid 4 and name CA )
(resid 4 and name C ) (resid 5 and name N ) 1.0 130.4 20.0 2
assign (resid 4 and name C ) (resid 5 and name N )
(resid 5 and name CA ) (resid 5 and name C ) 1.0 -101.6 20.3 2
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name C ) (resid 6 and name N ) 1.0 117.7 32.3 2
assign (resid 8 and name C ) (resid 9 and name N )
(resid 9 and name CA ) (resid 9 and name C ) 1.0 -96.8 33.3 2
assign (resid 9 and name N ) (resid 9 and name CA )
(resid 9 and name C ) (resid 10 and name N ) 1.0 125.5 25.6 2
assign (resid 9 and name C ) (resid 10 and name N )
(resid 10 and name CA ) (resid 10 and name C ) 1.0 -88.6 40.3 2
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -68.8 28.0 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 -27.8 32.7 2
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 62.0 29.6 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 37.4 26.3 2
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -105.1 57.3 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 134.0 27.4 2
assign (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA ) (resid 18 and name C ) 1.0 -125.9 46.7 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C ) (resid 19 and name N ) 1.0 155.3 27.9 2
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -78.2 60.2 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 132.2 67.2 2
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -54.1 20.6 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 -33.8 20.0 2
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -66.3 20.0 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 -29.8 20.0 2
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -83.8 23.5 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 -12.6 34.7 2
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -110.4 63.3 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 130.3 34.2 2
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -93.6 41.2 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -6.8 42.2 2
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 -85.1 27.2 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 113.6 42.2 2
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -57.1 20.0 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 -29.8 23.2 2
assign (resid 31 and name C ) (resid 32 and name N )
(resid 32 and name CA ) (resid 32 and name C ) 1.0 -74.1 33.8 2
assign (resid 32 and name N ) (resid 32 and name CA )
(resid 32 and name C ) (resid 33 and name N ) 1.0 -31.3 30.4 2
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -110.4 29.7 2
assign (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C ) (resid 34 and name N ) 1.0 -10.2 53.1 2
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -58.2 20.0 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 138.2 22.0 2
assign (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA ) (resid 41 and name C ) 1.0 -88.1 25.4 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 -26.3 42.5 2
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -61.6 20.0 2
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 -25.7 20.0 2
assign (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA ) (resid 47 and name C ) 1.0 -89.9 35.7 2
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 2.1 35.5 2
assign (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA ) (resid 48 and name C ) 1.0 -113.3 44.6 2
assign (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C ) (resid 49 and name N ) 1.0 132.2 26.0 2
assign (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA ) (resid 49 and name C ) 1.0 -121.3 61.3 2
assign (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C ) (resid 50 and name N ) 1.0 123.9 20.0 2
assign (resid 50 and name C ) (resid 51 and name N )
(resid 51 and name CA ) (resid 51 and name C ) 1.0 68.4 22.5 2
assign (resid 51 and name N ) (resid 51 and name CA )
(resid 51 and name C ) (resid 52 and name N ) 1.0 13.2 33.2 2
assign (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA ) (resid 52 and name C ) 1.0 -117.4 45.4 2
assign (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C ) (resid 53 and name N ) 1.0 142.2 34.5 2
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 -88.2 36.6 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 125.0 43.4 2
assign (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA ) (resid 57 and name C ) 1.0 91.3 24.9 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 -6.3 24.1 2
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -77.5 31.6 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 125.8 20.0 2
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -78.2 32.8 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 128.3 34.4 2
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -99.7 53.0 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 139.2 42.4 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 129.6 29.2 2
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -82.5 37.6 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 -15.4 53.2 2
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -84.3 33.8 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 -9.0 49.4 2
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -107.0 36.2 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 148.5 41.6 2
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -121.8 29.8 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 145.8 37.6 2
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -112.8 42.7 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 5.9 31.0 2
assign (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA ) (resid 74 and name C ) 1.0 69.1 26.2 2
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 25.7 32.4 2
assign (resid 74 and name C ) (resid 75 and name N )
(resid 75 and name CA ) (resid 75 and name C ) 1.0 -100.1 41.3 2
assign (resid 75 and name N ) (resid 75 and name CA )
(resid 75 and name C ) (resid 76 and name N ) 1.0 -12.0 46.5 2
assign (resid 76 and name C ) (resid 77 and name N )
(resid 77 and name CA ) (resid 77 and name C ) 1.0 -75.0 22.2 2
assign (resid 77 and name N ) (resid 77 and name CA )
(resid 77 and name C ) (resid 78 and name N ) 1.0 -26.6 38.3 2
assign (resid 78 and name C ) (resid 79 and name N )
(resid 79 and name CA ) (resid 79 and name C ) 1.0 -86.5 44.3 2
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C ) (resid 80 and name N ) 1.0 136.2 47.0 2
assign (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA ) (resid 80 and name C ) 1.0 -66.8 20.0 2
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C ) (resid 81 and name N ) 1.0 149.1 20.0 2
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