NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1581 |
1aq5   |
4054 | cing | 1-original | 3 | XPLOR/CNS | dihedral angle |
!!!! DIHEDRAL ANGLE RESTRAINTS
!
!
!! Phi = (65 +/- 25)degrees if 3J(HN-HA)< 5.5 HZ
!! Phi = (120 +/- 30)degrees if 3J(HN-HA)> 8 HZ
!
!! 13
assign (resid 12 and name c and segid "A") (resid 13 and name n and segid
"A")
(resid 13 and name ca and segid "A") (resid 13 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 14
assign (resid 13 and name c and segid "A") (resid 14 and name n and segid
"A")
(resid 14 and name ca and segid "A") (resid 14 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 19
assign (resid 18 and name c and segid "A") (resid 19 and name n and segid
"A")
(resid 19 and name ca and segid "A") (resid 19 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 20
assign (resid 19 and name c and segid "A") (resid 20 and name n and segid
"A")
(resid 20 and name ca and segid "A") (resid 20 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 22
assign (resid 21 and name c and segid "A") (resid 22 and name n and segid
"A")
(resid 22 and name ca and segid "A") (resid 22 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 23
assign (resid 22 and name c and segid "A") (resid 23 and name n and segid
"A")
(resid 23 and name ca and segid "A") (resid 23 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 26
assign (resid 25 and name c and segid "A") (resid 26 and name n and segid
"A")
(resid 26 and name ca and segid "A") (resid 26 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 27
assign (resid 26 and name c and segid "A") (resid 27 and name n and segid
"A")
(resid 27 and name ca and segid "A") (resid 27 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 28
assign (resid 27 and name c and segid "A") (resid 28 and name n and segid
"A")
(resid 28 and name ca and segid "A") (resid 28 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 30
assign (resid 29 and name c and segid "A") (resid 30 and name n and segid
"A")
(resid 30 and name ca and segid "A") (resid 30 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 32
assign (resid 31 and name c and segid "A") (resid 32 and name n and segid
"A")
(resid 32 and name ca and segid "A") (resid 32 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 33
assign (resid 32 and name c and segid "A") (resid 33 and name n and segid
"A")
(resid 33 and name ca and segid "A") (resid 33 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 34
assign (resid 33 and name c and segid "A") (resid 34 and name n and segid
"A")
(resid 34 and name ca and segid "A") (resid 34 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 35
assign (resid 34 and name c and segid "A") (resid 35 and name n and segid
"A")
(resid 35 and name ca and segid "A") (resid 35 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 37
assign (resid 36 and name c and segid "A") (resid 37 and name n and segid
"A")
(resid 37 and name ca and segid "A") (resid 37 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 38
assign (resid 37 and name c and segid "A") (resid 38 and name n and segid
"A")
(resid 38 and name ca and segid "A") (resid 38 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 39
assign (resid 38 and name c and segid "A") (resid 39 and name n and segid
"A")
(resid 39 and name ca and segid "A") (resid 39 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 40
assign (resid 39 and name c and segid "A") (resid 40 and name n and segid
"A")
(resid 40 and name ca and segid "A") (resid 40 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 41
assign (resid 40 and name c and segid "A") (resid 41 and name n and segid
"A")
(resid 41 and name ca and segid "A") (resid 41 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 42
assign (resid 41 and name c and segid "A") (resid 42 and name n and segid
"A")
(resid 42 and name ca and segid "A") (resid 42 and name c and segid
"A") 1.0 -65.0 25.0 2
!! 44
assign (resid 43 and name c and segid "A") (resid 44 and name n and segid
"A")
(resid 44 and name ca and segid "A") (resid 44 and name c and segid
"A") 1.0 -65.0 25.0 2
!
!! 13
assign (resid 12 and name c and segid "B") (resid 13 and name n and segid
"B")
(resid 13 and name ca and segid "B") (resid 13 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 14
assign (resid 13 and name c and segid "B") (resid 14 and name n and segid
"B")
(resid 14 and name ca and segid "B") (resid 14 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 19
assign (resid 18 and name c and segid "B") (resid 19 and name n and segid
"B")
(resid 19 and name ca and segid "B") (resid 19 and name c and segid
"B") 1.0 -65.0 25.0 2
!! 20
assign (resid 19 and name c and segid "B") (resid 20 and name n and segid
"B")
(resid 20 and name ca and segid "B") (resid 20 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 22
assign (resid 21 and name c and segid "B") (resid 22 and name n and segid
"B")
(resid 22 and name ca and segid "B") (resid 22 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 23
assign (resid 22 and name c and segid "B") (resid 23 and name n and segid
"B")
(resid 23 and name ca and segid "B") (resid 23 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 26
assign (resid 25 and name c and segid "B") (resid 26 and name n and segid
"B")
(resid 26 and name ca and segid "B") (resid 26 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 27
assign (resid 26 and name c and segid "B") (resid 27 and name n and segid
"B")
(resid 27 and name ca and segid "B") (resid 27 and name c and segid
"B") 1.0 -65.0 25.0 2
!! 28
assign (resid 27 and name c and segid "B") (resid 28 and name n and segid
"B")
(resid 28 and name ca and segid "B") (resid 28 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 30
assign (resid 29 and name c and segid "B") (resid 30 and name n and segid
"B")
(resid 30 and name ca and segid "B") (resid 30 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 32
assign (resid 31 and name c and segid "B") (resid 32 and name n and segid
"B")
(resid 32 and name ca and segid "B") (resid 32 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 33
assign (resid 32 and name c and segid "B") (resid 33 and name n and segid
"B")
(resid 33 and name ca and segid "B") (resid 33 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 34
assign (resid 33 and name c and segid "B") (resid 34 and name n and segid
"B")
(resid 34 and name ca and segid "B") (resid 34 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 35
assign (resid 34 and name c and segid "B") (resid 35 and name n and segid
"B")
(resid 35 and name ca and segid "B") (resid 35 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 37
assign (resid 36 and name c and segid "B") (resid 37 and name n and segid
"B")
(resid 37 and name ca and segid "B") (resid 37 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 38
assign (resid 37 and name c and segid "B") (resid 38 and name n and segid
"B")
(resid 38 and name ca and segid "B") (resid 38 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 39
assign (resid 38 and name c and segid "B") (resid 39 and name n and segid
"B")
(resid 39 and name ca and segid "B") (resid 39 and name c and segid
"B") 1.0 -65.0 25.0 2
!! 40
assign (resid 39 and name c and segid "B") (resid 40 and name n and segid
"B")
(resid 40 and name ca and segid "B") (resid 40 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 41
assign (resid 40 and name c and segid "B") (resid 41 and name n and segid
"B")
(resid 41 and name ca and segid "B") (resid 41 and name c and segid
"B") 1.0 -65.0 25.0 2
!! 42
assign (resid 41 and name c and segid "B") (resid 42 and name n and segid
"B")
(resid 42 and name ca and segid "B") (resid 42 and name c and
segid "B") 1.0 -65.0 25.0 2
!! 44
assign (resid 43 and name c and segid "B") (resid 44 and name n and segid
"B")
(resid 44 and name ca and segid "B") (resid 44 and name c and
segid "B") 1.0 -65.0 25.0 2
!
!! 13
assign (resid 12 and name c and segid "C") (resid 13 and name n and segid
"C")
(resid 13 and name ca and segid "C") (resid 13 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 14
assign (resid 13 and name c and segid "C") (resid 14 and name n and segid
"C")
(resid 14 and name ca and segid "C") (resid 14 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 19
assign (resid 18 and name c and segid "C") (resid 19 and name n and segid
"C")
(resid 19 and name ca and segid "C") (resid 19 and name c and segid
"C") 1.0 -65.0 25.0 2
!! 20
assign (resid 19 and name c and segid "C") (resid 20 and name n and segid
"C")
(resid 20 and name ca and segid "C") (resid 20 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 22
assign (resid 21 and name c and segid "C") (resid 22 and name n and segid
"C")
(resid 22 and name ca and segid "C") (resid 22 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 23
assign (resid 22 and name c and segid "C") (resid 23 and name n and segid
"C")
(resid 23 and name ca and segid "C") (resid 23 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 26
assign (resid 25 and name c and segid "C") (resid 26 and name n and segid
"C")
(resid 26 and name ca and segid "C") (resid 26 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 27
assign (resid 26 and name c and segid "C") (resid 27 and name n and segid
"C")
(resid 27 and name ca and segid "C") (resid 27 and name c and segid
"C") 1.0 -65.0 25.0 2
!! 28
assign (resid 27 and name c and segid "C") (resid 28 and name n and segid
"C")
(resid 28 and name ca and segid "C") (resid 28 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 30
assign (resid 29 and name c and segid "C") (resid 30 and name n and segid
"C")
(resid 30 and name ca and segid "C") (resid 30 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 32
assign (resid 31 and name c and segid "C") (resid 32 and name n and segid
"C")
(resid 32 and name ca and segid "C") (resid 32 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 33
assign (resid 32 and name c and segid "C") (resid 33 and name n and segid
"C")
(resid 33 and name ca and segid "C") (resid 33 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 34
assign (resid 33 and name c and segid "C") (resid 34 and name n and segid
"C")
(resid 34 and name ca and segid "C") (resid 34 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 35
assign (resid 34 and name c and segid "C") (resid 35 and name n and segid
"C")
(resid 35 and name ca and segid "C") (resid 35 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 37
assign (resid 36 and name c and segid "C") (resid 37 and name n and segid
"C")
(resid 37 and name ca and segid "C") (resid 37 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 38
assign (resid 37 and name c and segid "C") (resid 38 and name n and segid
"C")
(resid 38 and name ca and segid "C") (resid 38 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 39
assign (resid 38 and name c and segid "C") (resid 39 and name n and segid
"C")
(resid 39 and name ca and segid "C") (resid 39 and name c and segid
"C") 1.0 -65.0 25.0 2
!! 40
assign (resid 39 and name c and segid "C") (resid 40 and name n and segid
"C")
(resid 40 and name ca and segid "C") (resid 40 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 41
assign (resid 40 and name c and segid "C") (resid 41 and name n and segid
"C")
(resid 41 and name ca and segid "C") (resid 41 and name c and segid
"C") 1.0 -65.0 25.0 2
!! 42
assign (resid 41 and name c and segid "C") (resid 42 and name n and segid
"C")
(resid 42 and name ca and segid "C") (resid 42 and name c and
segid "C") 1.0 -65.0 25.0 2
!! 44
assign (resid 43 and name c and segid "C") (resid 44 and name n and segid
"C")
(resid 44 and name ca and segid "C") (resid 44 and name c and
segid "C") 1.0 -65.0 25.0 2
!
!!!! chi1 angle restraints
!
assign (resid 7 and name n and segid "A")(resid 7 and name ca and segid "A")
(resid 7 and name cb and segid "A")(resid 7 and name cg and segid "A")
1.0 180.0 30.0 2
assign (resid 9 and name n and segid "A")(resid 9 and name ca and segid "A")
(resid 9 and name cb and segid "A")(resid 9 and name sg and segid "A")
1.0 -60 30.0 2
assign (resid 10 and name n and segid "A")(resid 10 and name ca and segid "A")
(resid 10 and name cb and segid "A")(resid 10 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 11 and name n and segid "A")(resid 11 and name ca and segid "A")
(resid 11 and name cb and segid "A")(resid 11 and name sg and segid "A")
1.0 -60 30.0 2
assign (resid 13 and name n and segid "A")(resid 13 and name ca and segid "A")
(resid 13 and name cb and segid "A")(resid 13 and name og and segid "A")
1.0 -60 30.0 2
assign (resid 17 and name n and segid "A")(resid 17 and name ca and segid "A")
(resid 17 and name cb and segid "A")(resid 17 and name cg and segid "A")
1.0 180 30.0 2
assign (resid 18 and name n and segid "A")(resid 18 and name ca and segid "A")
(resid 18 and name cb and segid "A")(resid 18 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 22 and name n and segid "A")(resid 22 and name ca and segid "A")
(resid 22 and name cb and segid "A")(resid 22 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 24 and name n and segid "A")(resid 24 and name ca and segid "A")
(resid 24 and name cb and segid "A")(resid 24 and name cg and segid "A")
1.0 180 30.0 2
assign (resid 26 and name n and segid "A")(resid 26 and name ca and segid "A")
(resid 26 and name cb and segid "A")(resid 26 and name cg and segid "A")
1.0 180 30.0 2
assign (resid 28 and name n and segid "A")(resid 28 and name ca and segid "A")
(resid 28 and name cb and segid "A")(resid 28 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 30 and name n and segid "A")(resid 30 and name ca and segid "A")
(resid 30 and name cb and segid "A")(resid 30 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 32 and name n and segid "A")(resid 32 and name ca and segid "A")
(resid 32 and name cb and segid "A")(resid 32 and name cg and segid "A")
1.0 180 30.0 2
assign (resid 38 and name n and segid "A")(resid 38 and name ca and segid "A")
(resid 38 and name cb and segid "A")(resid 38 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 42 and name n and segid "A")(resid 42 and name ca and segid "A")
(resid 42 and name cb and segid "A")(resid 42 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 43 and name n and segid "A")(resid 43 and name ca and segid "A")
(resid 43 and name cb and segid "A")(resid 43 and name cg and segid "A")
1.0 -60 30.0 2
assign (resid 44 and name n and segid "A")(resid 44 and name ca and segid "A")
(resid 44 and name cb and segid "A")(resid 44 and name cg and segid "A")
1.0 -60 30.0 2
!
assign (resid 7 and name n and segid "B")(resid 7 and name ca and segid "B")
(resid 7 and name cb and segid "B")(resid 7 and name cg and segid "B")
1.0 180.0 30.0 2
assign (resid 9 and name n and segid "B")(resid 9 and name ca and segid "B")
(resid 9 and name cb and segid "B")(resid 9 and name sg and segid "B")
1.0 -60 30.0 2
assign (resid 10 and name n and segid "B")(resid 10 and name ca and segid "B")
(resid 10 and name cb and segid "B")(resid 10 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 11 and name n and segid "B")(resid 11 and name ca and segid "B")
(resid 11 and name cb and segid "B")(resid 11 and name sg and segid "B")
1.0 -60 30.0 2
assign (resid 13 and name n and segid "B")(resid 13 and name ca and segid "B")
(resid 13 and name cb and segid "B")(resid 13 and name og and segid "B")
1.0 -60 30.0 2
assign (resid 17 and name n and segid "B")(resid 17 and name ca and segid "B")
(resid 17 and name cb and segid "B")(resid 17 and name cg and segid "B")
1.0 180 30.0 2
assign (resid 18 and name n and segid "B")(resid 18 and name ca and segid "B")
(resid 18 and name cb and segid "B")(resid 18 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 22 and name n and segid "B")(resid 22 and name ca and segid "B")
(resid 22 and name cb and segid "B")(resid 22 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 24 and name n and segid "B")(resid 24 and name ca and segid "B")
(resid 24 and name cb and segid "B")(resid 24 and name cg and segid "B")
1.0 180 30.0 2
assign (resid 26 and name n and segid "B")(resid 26 and name ca and segid "B")
(resid 26 and name cb and segid "B")(resid 26 and name cg and segid "B")
1.0 180 30.0 2
assign (resid 28 and name n and segid "B")(resid 28 and name ca and segid "B")
(resid 28 and name cb and segid "B")(resid 28 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 30 and name n and segid "B")(resid 30 and name ca and segid "B")
(resid 30 and name cb and segid "B")(resid 30 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 32 and name n and segid "B")(resid 32 and name ca and segid "B")
(resid 32 and name cb and segid "B")(resid 32 and name cg and segid "B")
1.0 180 30.0 2
assign (resid 38 and name n and segid "B")(resid 38 and name ca and segid "B")
(resid 38 and name cb and segid "B")(resid 38 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 42 and name n and segid "B")(resid 42 and name ca and segid "B")
(resid 42 and name cb and segid "B")(resid 42 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 43 and name n and segid "B")(resid 43 and name ca and segid "B")
(resid 43 and name cb and segid "B")(resid 43 and name cg and segid "B")
1.0 -60 30.0 2
assign (resid 44 and name n and segid "B")(resid 44 and name ca and segid "B")
(resid 44 and name cb and segid "B")(resid 44 and name cg and segid "B")
1.0 -60 30.0 2
!
assign (resid 7 and name n and segid "C")(resid 7 and name ca and segid "C")
(resid 7 and name cb and segid "C")(resid 7 and name cg and segid "C")
1.0 180.0 30.0 2
assign (resid 9 and name n and segid "C")(resid 9 and name ca and segid "C")
(resid 9 and name cb and segid "C")(resid 9 and name sg and segid "C")
1.0 -60 30.0 2
assign (resid 10 and name n and segid "C")(resid 10 and name ca and segid "C")
(resid 10 and name cb and segid "C")(resid 10 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 11 and name n and segid "C")(resid 11 and name ca and segid "C")
(resid 11 and name cb and segid "C")(resid 11 and name sg and segid "C")
1.0 -60 30.0 2
assign (resid 13 and name n and segid "C")(resid 13 and name ca and segid "C")
(resid 13 and name cb and segid "C")(resid 13 and name og and segid "C")
1.0 -60 30.0 2
assign (resid 17 and name n and segid "C")(resid 17 and name ca and segid "C")
(resid 17 and name cb and segid "C")(resid 17 and name cg and segid "C")
1.0 180 30.0 2
assign (resid 18 and name n and segid "C")(resid 18 and name ca and segid "C")
(resid 18 and name cb and segid "C")(resid 18 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 22 and name n and segid "C")(resid 22 and name ca and segid "C")
(resid 22 and name cb and segid "C")(resid 22 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 24 and name n and segid "C")(resid 24 and name ca and segid "C")
(resid 24 and name cb and segid "C")(resid 24 and name cg and segid "C")
1.0 180 30.0 2
assign (resid 26 and name n and segid "C")(resid 26 and name ca and segid "C")
(resid 26 and name cb and segid "C")(resid 26 and name cg and segid "C")
1.0 180 30.0 2
assign (resid 28 and name n and segid "C")(resid 28 and name ca and segid "C")
(resid 28 and name cb and segid "C")(resid 28 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 30 and name n and segid "C")(resid 30 and name ca and segid "C")
(resid 30 and name cb and segid "C")(resid 30 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 32 and name n and segid "C")(resid 32 and name ca and segid "C")
(resid 32 and name cb and segid "C")(resid 32 and name cg and segid "C")
1.0 180 30.0 2
assign (resid 38 and name n and segid "C")(resid 38 and name ca and segid "C")
(resid 38 and name cb and segid "C")(resid 38 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 42 and name n and segid "C")(resid 42 and name ca and segid "C")
(resid 42 and name cb and segid "C")(resid 42 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 43 and name n and segid "C")(resid 43 and name ca and segid "C")
(resid 43 and name cb and segid "C")(resid 43 and name cg and segid "C")
1.0 -60 30.0 2
assign (resid 44 and name n and segid "C")(resid 44 and name ca and segid "C")
(resid 44 and name cb and segid "C")(resid 44 and name cg and segid "C")
1.0 -60 30.0 2
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