NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2019 |
1bbl   |
2546 | cing | 1-original | 9 | XPLOR/CNS | dihedral angle |
!remark phi angle constraints
!! a2
assign (resid 1 and name c )(resid 2 and name n )
(resid 2 and name ca)(resid 2 and name c ) 1.0 -90.0 80.0 2
!! s3
assign (resid 2 and name c )(resid 3 and name n )
(resid 3 and name ca)(resid 3 and name c ) 1.0 -90.0 80.0 2
!! l4
assign (resid 3 and name c )(resid 4 and name n )
(resid 4 and name ca)(resid 4 and name c ) 1.0 -90.0 80.0 2
!! e5
assign (resid 4 and name c )(resid 5 and name n )
(resid 5 and name ca)(resid 5 and name c ) 1.0 -90.0 80.0 2
!! e6
assign (resid 5 and name c )(resid 6 and name n )
(resid 6 and name ca)(resid 6 and name c ) 1.0 -90.0 80.0 2
!! q7
assign (resid 6 and name c )(resid 7 and name n )
(resid 7 and name ca)(resid 7 and name c ) 1.0 -90.0 80.0 2
!! d10
assign (resid 9 and name c )(resid 10 and name n )
(resid 10 and name ca)(resid 10 and name c ) 1.0 -115.0 70.0 2
!! a11
assign (resid 10 and name c )(resid 11 and name n )
(resid 11 and name ca)(resid 11 and name c ) 1.0 -120.0 65.0 2
!! l12
assign (resi 11 and name c )(resi 12 and name n )
(resi 12 and name ca)(resi 12 and name c ) 1.0 -85.0 55.0 2
!! s13
assign (resid 12 and name c )(resid 13 and name n )
(resid 13 and name ca)(resid 13 and name c ) 1.0 -110.0 45.0 2
!! p14
assign (resid 13 and name c )(resid 14 and name n )
(resid 14 and name ca)(resid 14 and name c ) 1.0 -60.0 20.0 2
!! a15
assign (resid 14 and name c )(resid 15 and name n )
(resid 15 and name ca)(resid 15 and name c ) 1.0 -80.0 35.0 2
!! i16
assign (resid 15 and name c )(resid 16 and name n )
(resid 16 and name ca)(resid 16 and name c ) 1.0 -65.0 30.0 2
!! r17
assign (resid 16 and name c )(resid 17 and name n )
(resid 17 and name ca)(resid 17 and name c ) 1.0 -80.0 30.0 2
!! r18
assign (resid 17 and name c )(resid 18 and name n )
(resid 18 and name ca)(resid 18 and name c ) 1.0 -80.0 30.0 2
!! l19
assign (resid 18 and name c )(resid 19 and name n )
(resid 19 and name ca)(resid 19 and name c ) 1.0 -75.0 30.0 2
!! l20
assign (resid 19 and name c )(resid 20 and name n )
(resid 20 and name ca)(resid 20 and name c ) 1.0 -65.0 30.0 2
!! a21
assign (resid 20 and name c )(resid 21 and name n )
(resid 21 and name ca)(resid 21 and name c ) 1.0 -80.0 30.0 2
!! e22
assign (resid 21 and name c )(resid 22 and name n )
(resid 22 and name ca)(resid 22 and name c ) 1.0 -75.0 30.0 2
!! h23
assign (resid 22 and name c )(resid 23 and name n )
(resid 23 and name ca)(resid 23 and name c ) 1.0 -105.0 30.0 2
!! n24
assign (resid 23 and name c )(resid 24 and name n )
(resid 24 and name ca)(resid 24 and name c ) 1.0 55.0 30.0 2
!! l25
assign (resid 24 and name c )(resid 25 and name n )
(resid 25 and name ca)(resid 25 and name c ) 1.0 -120.0 30.0 2
!! d26
assign (resid 25 and name c )(resid 26 and name n )
(resid 26 and name ca)(resid 26 and name c ) 1.0 -85.0 30.0 2
!! a27
assign (resid 26 and name c )(resid 27 and name n )
(resid 27 and name ca)(resid 27 and name c ) 1.0 -65.0 30.0 2
!! s28
assign (resid 27 and name c )(resid 28 and name n )
(resid 28 and name ca)(resid 28 and name c ) 1.0 -55.0 30.0 2
!! a29
assign (resid 28 and name c )(resid 29 and name n )
(resid 29 and name ca)(resid 29 and name c ) 1.0 -85.0 30.0 2
!! i30
assign (resid 29 and name c )(resid 30 and name n )
(resid 30 and name ca)(resid 30 and name c ) 1.0 -85.0 30.0 2
!! k31
assign (resid 30 and name c )(resid 31 and name n )
(resid 31 and name ca)(resid 31 and name c ) 1.0 -105.0 40.0 2
!! g32
assign (resid 31 and name c )(resid 32 and name n )
(resid 32 and name ca)(resid 32 and name c ) 1.0 -85.0 70.0 2
!! t33
assign (resid 32 and name c )(resid 33 and name n )
(resid 33 and name ca)(resid 33 and name c ) 1.0 -105.0 55.0 2
!! v35
assign (resid 34 and name c )(resid 35 and name n )
(resid 35 and name ca)(resid 35 and name c ) 1.0 -75.0 45.0 2
!! g37
assign (resid 36 and name c )(resid 37 and name n )
(resid 37 and name ca)(resid 37 and name c ) 1.0 90.0 85.0 2
!! r38
assign (resid 37 and name c )(resid 38 and name n )
(resid 38 and name ca)(resid 38 and name c ) 1.0 -90.0 55.0 2
!! l39
assign (resid 38 and name c )(resid 39 and name n )
(resid 39 and name ca)(resid 39 and name c ) 1.0 -80.0 30.0 2
!! t40
assign (resid 39 and name c )(resid 40 and name n )
(resid 40 and name ca)(resid 40 and name c ) 1.0 -110.0 40.0 2
!! r41
assign (resid 40 and name c )(resid 41 and name n )
(resid 41 and name ca)(resid 41 and name c ) 1.0 -95.0 30.0 2
!! e42
assign (resid 41 and name c )(resid 42 and name n )
(resid 42 and name ca)(resid 42 and name c ) 1.0 -80.0 30.0 2
!! d43
assign (resid 42 and name c )(resid 43 and name n )
(resid 43 and name ca)(resid 43 and name c ) 1.0 -100.0 30.0 2
!! v44
assign (resid 43 and name c )(resid 44 and name n )
(resid 44 and name ca)(resid 44 and name c ) 1.0 -75.0 30.0 2
!! e45
assign (resid 44 and name c )(resid 45 and name n )
(resid 45 and name ca)(resid 45 and name c ) 1.0 -60.0 30.0 2
!! k46
assign (resid 45 and name c )(resid 46 and name n )
(resid 46 and name ca)(resid 46 and name c ) 1.0 -65.0 30.0 2
!! h47
assign (resid 46 and name c )(resid 47 and name n )
(resid 47 and name ca)(resid 47 and name c ) 1.0 -110.0 45.0 2
!! l48
assign (resid 47 and name c )(resid 48 and name n )
(resid 48 and name ca)(resid 48 and name c ) 1.0 -70.0 30.0 2
!! a49
assign (resid 48 and name c )(resid 49 and name n )
(resid 49 and name ca)(resid 49 and name c ) 1.0 -110.0 70.0 2
!! k50
assign (resid 49 and name c )(resid 50 and name n )
(resid 50 and name ca)(resid 50 and name c ) 1.0 -90.0 80.0 2
!! a51
assign (resid 50 and name c )(resid 51 and name n )
(resid 51 and name ca)(resid 51 and name c ) 1.0 -90.0 80.0 2
! Remark psi dihedral angle restraints
!! l12
assign (resid 12 and name n )(resid 12 and name ca)
(resid 12 and name c )(resid 13 and name n ) 1.0 -170.0 50.0 2
!! s13
assign (resid 13 and name n )(resid 13 and name ca)
(resid 13 and name c )(resid 14 and name n ) 1.0 140.0 50.0 2
!! p14
assign (resid 14 and name n )(resid 14 and name ca)
(resid 14 and name c )(resid 15 and name n ) 1.0 -5.0 50.0 2
!! a15
assign (resid 15 and name n )(resid 15 and name ca)
(resid 15 and name c )(resid 16 and name n ) 1.0 -15.0 50.0 2
!! i16
assign (resid 16 and name n )(resid 16 and name ca)
(resid 16 and name c )(resid 17 and name n ) 1.0 -20.0 50.0 2
!! r17
assign (resid 17 and name n )(resid 17 and name ca)
(resid 17 and name c )(resid 18 and name n ) 1.0 -40.0 50.0 2
!! r18
assign (resid 18 and name n )(resid 18 and name ca)
(resid 18 and name c )(resid 19 and name n ) 1.0 -5.0 50.0 2
!! l19
assign (resid 19 and name n )(resid 19 and name ca)
(resid 19 and name c )(resid 20 and name n ) 1.0 -35.0 50.0 2
!!l20
assign (resid 20 and name n )(resid 20 and name ca)
(resid 20 and name c )(resid 21 and name n ) 1.0 -30.0 50.0 2
!! a21
assign (resid 21 and name n )(resid 21 and name ca)
(resid 21 and name c )(resid 22 and name n ) 1.0 -30.0 50.0 2
!! e22
assign (resid 22 and name n )(resid 22 and name ca)
(resid 22 and name c )(resid 23 and name n ) 1.0 -30.0 50.0 2
!! h23
assign (resid 23 and name n )(resid 23 and name ca)
(resid 23 and name c )(resid 24 and name n ) 1.0 -10.0 50.0 2
!! n24
assign (resid 24 and name n )(resid 24 and name ca)
(resid 24 and name c )(resid 25 and name n ) 1.0 70.0 50.0 2
!! l25
assign (resid 25 and name n )(resid 25 and name ca)
(resid 25 and name c )(resid 26 and name n ) 1.0 130.0 50.0 2
!! d26
assign (resid 26 and name n )(resid 26 and name ca)
(resid 26 and name c )(resid 27 and name n ) 1.0 120.0 50.0 2
!! a27
assign (resid 27 and name n )(resid 27 and name ca)
(resid 27 and name c )(resid 28 and name n ) 1.0 -10.0 50.0 2
!! s28
assign (resid 28 and name n )(resid 28 and name ca)
(resid 28 and name c )(resid 29 and name n ) 1.0 -30.0 50.0 2
!! a29
assign (resid 29 and name n )(resid 29 and name ca)
(resid 29 and name c )(resid 30 and name n ) 1.0 -25.0 50.0 2
!! i30
assign (resid 30 and name n )(resid 30 and name ca)
(resid 30 and name c )(resid 31 and name n ) 1.0 135.0 50.0 2
!! k31
assign (resid 31 and name n )(resid 31 and name ca)
(resid 31 and name c )(resid 32 and name n ) 1.0 110.0 145.0 2
!! g32
assign (resid 32 and name n )(resid 32 and name ca)
(resid 32 and name c )(resid 33 and name n ) 1.0 90.0 85.0 2
!! t33
assign (resid 33 and name n )(resid 33 and name ca)
(resid 33 and name c )(resid 34 and name n ) 1.0 -5.0 90.0 2
!! g34
assign (resid 34 and name n )(resid 34 and name ca)
(resid 34 and name c )(resid 35 and name n ) 1.0 180.0 50.0 2
!! v35
assign (resid 35 and name n )(resid 35 and name ca)
(resid 35 and name c )(resid 36 and name n ) 1.0 60.0 95.0 2
!! g37
assign (resid 37 and name n )(resid 37 and name ca)
(resid 37 and name c )(resid 38 and name n ) 1.0 0.0 65.0 2
!! r38
assign (resid 38 and name n )(resid 38 and name ca)
(resid 38 and name c )(resid 39 and name n ) 1.0 140.0 55.0 2
!! l39
assign (resid 39 and name n )(resid 39 and name ca)
(resid 39 and name c )(resid 40 and name n ) 1.0 125.0 50.0 2
!! t40
assign (resid 40 and name n )(resid 40 and name ca)
(resid 40 and name c )(resid 41 and name n ) 1.0 -160.0 50.0 2
!! r41
assign (resid 41 and name n )(resid 41 and name ca)
(resid 41 and name c )(resid 42 and name n ) 1.0 -30.0 50.0 2
!! e42
assign (resid 42 and name n )(resid 42 and name ca)
(resid 42 and name c )(resid 43 and name n ) 1.0 -5.0 50.0 2
!! d43
assign (resid 43 and name n )(resid 43 and name ca)
(resid 43 and name c )(resid 44 and name n ) 1.0 -40.0 50.0 2
!! v44
assign (resid 44 and name n )(resid 44 and name ca)
(resid 44 and name c )(resid 45 and name n ) 1.0 -30.0 50.0 2
!! e45
assign (resid 45 and name n )(resid 45 and name ca)
(resid 45 and name c )(resid 46 and name n ) 1.0 -45.0 50.0 2
!! k46
assign (resid 46 and name n )(resid 46 and name ca)
(resid 46 and name c )(resid 47 and name n ) 1.0 0.0 50.0 2
!! h47
assign (resid 47 and name n )(resid 47 and name ca)
(resid 47 and name c )(resid 48 and name n ) 1.0 -30.0 50.0 2
!Remark chi1 torsion angle restraints
!! l12
assign (resid 12 and name n )(resid 12 and name ca)
(resid 12 and name cb)(resid 12 and name cg) 1.0 -60.0 45.0 2
!! p14
assign (resid 14 and name n )(resid 14 and name ca)
(resid 14 and name cb)(resid 14 and name cg) 1.0 0.0 25.0 2
!! i16
assign (resid 16 and name n )(resid 16 and name ca)
(resid 16 and name cb)(resid 16 and name cg1) 1.0 180.0 30.0 2
!! r17
assign (resid 17 and name n )(resid 17 and name ca)
(resid 17 and name cb)(resid 17 and name cg) 1.0 -60.0 30.0 2
!! r18
assign (resid 18 and name n )(resid 18 and name ca)
(resid 18 and name cb)(resid 18 and name cg) 1.0 -60.0 30.0 2
!! l19
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
!! l20
assign (resid 20 and name n )(resid 20 and name ca)
(resid 20 and name cb)(resid 20 and name cg) 1.0 -60.0 30.0 2
!! e22
assign (resid 22 and name n )(resid 22 and name ca)
(resid 22 and name cb)(resid 22 and name cg) 1.0 180.0 30.0 2
!! h23
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
!! l25
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
!! i30
assign (resid 30 and name n )(resid 30 and name ca)
(resid 30 and name cb)(resid 30 and name cg1) 1.0 -60.0 30.0 2
!! t33
assign (resid 33 and name n )(resid 33 and name ca)
(resid 33 and name cb)(resid 33 and name og1) 1.0 60.0 30.0 2
!! v35
assign (resid 35 and name n )(resid 35 and name ca)
(resid 35 and name cb)(resid 35 and name cg1) 1.0 180.0 30.0 2
!! l39
assign (resid 39 and name n )(resid 39 and name ca)
(resid 39 and name cb)(resid 39 and name cg) 1.0 180.0 30.0 2
!! t40
assign (resid 40 and name n )(resid 40 and name ca)
(resid 40 and name cb)(resid 40 and name og1) 1.0 60.0 30.0 2
!! r41
assign (resid 41 and name n )(resid 41 and name ca)
(resid 41 and name cb)(resid 41 and name cg) 1.0 180.0 30.0 2
!! d43
assign (resid 43 and name n )(resid 43 and name ca)
(resid 43 and name cb)(resid 43 and name cg) 1.0 -60.0 30.0 2
!! v44
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
!! h47
assign (resid 47 and name n )(resid 47 and name ca)
(resid 47 and name cb)(resid 47 and name cg) 1.0 180.0 30.0 2
!! l48
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
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