NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
6373 1iw4 5348 cing recoord 1-original 3 XPLOR/CNS dihedral angle



! dihedral restraints

set message=off echo=off end

!H2
assign  (resid 1 and name c)(resid 2 and name n)
        (resid 2 and name ca)(resid 2 and name c) 1.0 -120.0 50.0 2    !Phi

!M3
assign  (resid 2 and name c)(resid 3 and name n)
        (resid 3 and name ca)(resid 3 and name c) 1.0 -120.0 50.0 2    !Phi


!D4
assign  (resid 3 and name c)(resid 4 and name n)
        (resid 4 and name ca)(resid 4 and name c) 1.0 -100.0 80.0 2    !Phi


!C5
assign  (resid 4 and name c)(resid 5 and name n)
        (resid 5 and name ca)(resid 5 and name c) 1.0 -120.0 40.0 2    !Phi


!E7
assign  (resid 6 and name c)(resid 7 and name n)
        (resid 7 and name ca)(resid 7 and name c) 1.0 -100.0 80.0 2    !Phi

!F8
assign  (resid 7 and name c)(resid 8 and name n)
        (resid 8 and name ca)(resid 8 and name c) 1.0 -120.0 40.0 2    !Phi


!N9
assign  (resid 8 and name c)(resid 9 and name n)
        (resid 9 and name ca)(resid 9 and name c) 1.0 -120.0 50.0 2    !Phi

!L11
assign  (resid 10 and name c)(resid 11 and name n)
         (resid 11 and name ca)(resid 11 and name c) 1.0 -100.0 80.0 2    !Phi


!C12
assign (resid 11 and name c)(resid 12 and name n)
        (resid 12 and name ca)(resid 12 and name c) 1.0 -100.0 80.0 2 !Phi


!R13
assign  (resid 12 and name c)(resid 13 and name n)
        (resid 13 and name ca)(resid 13 and name c) 1.0 -120.0 40.0 2    !Phi

!C14
assign (resid 13 and name c)(resid 14 and name n)
        (resid 14 and name ca)(resid 14 and name c) 1.0 -120.0 50.0 2 !Phi


!N15
assign  (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -120.0 50.0 2    !Phi
assign  (resid 15 and name n)(resid 15 and name ca)
        (resid 15 and name cb)(resid 15 and name cg) 1.0  180.0 60.0  2    !Chi1

!K16
assign  (resid 15 and name c)(resid 16 and name n)
         (resid 16 and name ca)(resid 16 and name c) 1.0 -100.0 80.0 2    !Phi


!M17
assign  (resid 16 and name c)(resid 17 and name n)
        (resid 17 and name ca)(resid 17 and name c) 1.0 -100.0 80.0 2    !Phi

!L18
assign (resid 17 and name c)(resid 18 and name n)
        (resid 18 and name ca)(resid 18 and name c) 1.0 -120.0 50.0 2 !Phi
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 60.0  2    !Chi 1

!D20
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 60.0  2    !Chi1

!L21
assign  (resid 20 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -100.0 80.0 2    !Phi

!I22
assign (resid 21 and name c)(resid 22 and name n)
        (resid 22 and name ca)(resid 22 and name c) 1.0 -120.0 40.0 2 !Phi

!C23
assign (resid 22 and name c)(resid 23 and name n)
        (resid 23 and name ca)(resid 23 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 23 and name n)(resid 23 and name ca)
       (resid 23 and name c)(resid 24 and name n) 1.0 120.0 60.0 2  !Psi


!A24
assign (resid 23 and name c)(resid 24 and name n)
        (resid 24 and name ca)(resid 24 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 24 and name n)(resid 24 and name ca)
        (resid 24 and name c)(resid 25 and name n) 1.0 120.0 60.0 2  !Psi

!V25
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 40.0 2 !Phi
assign (resid 25 and name n)(resid 25 and name ca)
        (resid 25 and name c)(resid 26 and name n) 1.0 120.0 60.0 2  !Psi

!I26
assign (resid 25 and name c)(resid 26 and name n)
        (resid 26 and name ca)(resid 26 and name c) 1.0 -120.0 40.0 2 !Phi
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 60.0 2  !Psi


!D28
assign (resid 27 and name c)(resid 28 and name n)
        (resid 28 and name ca)(resid 28 and name c) 1.0 -120.0 50.0 2 !Phi

!A29
assign (resid 28 and name c)(resid 29 and name n)
        (resid 29 and name ca)(resid 29 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name c)(resid 30 and name n) 1.0 120.0 60.0 2  !Psi

!K30
assign (resid 29 and name c)(resid 30 and name n)
        (resid 30 and name ca)(resid 30 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 30 and name n)(resid 30 and name ca)
        (resid 30 and name c)(resid 31 and name n) 1.0 120.0 60.0 2  !Psi


!E31
assign  (resid 30 and name c)(resid 31 and name n)
        (resid 31 and name ca)(resid 31 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 31 and name n)(resid 31 and name ca)
        (resid 31 and name c)(resid 32 and name n) 1.0 120.0 60.0 2  !Psi

!E32
assign  (resid 31 and name c)(resid 32 and name n)
        (resid 32 and name ca)(resid 32 and name c) 1.0 -120.0 50.0 2    !Phi
assign (resid 32 and name n)(resid 32 and name ca)
        (resid 32 and name c)(resid 33 and name n) 1.0 120.0 60.0 2  !Psi

!H33
assign  (resid 32 and name c)(resid 33 and name n)
        (resid 33 and name ca)(resid 33 and name c) 1.0 -120.0 40.0 2    !Phi

!R34
assign  (resid 33 and name c)(resid 34 and name n)
        (resid 34 and name ca)(resid 34 and name c) 1.0 -120.0 40.0 2    !Phi

!N35
assign  (resid 34 and name c)(resid 35 and name n)
        (resid 35 and name ca)(resid 35 and name c) 1.0 -120.0 40.0 2    !Phi
assign  (resid 35 and name n)(resid 35 and name ca)
        (resid 35 and name cb)(resid 35 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!M36
assign  (resid 35 and name c)(resid 36 and name n)
        (resid 36 and name ca)(resid 36 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 36 and name n)(resid 36 and name ca)
        (resid 36 and name c)(resid 37 and name n) 1.0 -40.0 30.0 2  !Psi

!C37
assign  (resid 36 and name c)(resid 37 and name n)
        (resid 37 and name ca)(resid 37 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 37 and name n)(resid 37 and name ca)
        (resid 37 and name c)(resid 38 and name n) 1.0 -40.0 30.0 2  !Psi


!A38
assign  (resid 37 and name c)(resid 38 and name n)
        (resid 38 and name ca)(resid 38 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 38 and name n)(resid 38 and name ca)
        (resid 38 and name c)(resid 39 and name n) 1.0 -40.0 30.0 2  !Psi

!L39
assign  (resid 38 and name c)(resid 39 and name n)
        (resid 39 and name ca)(resid 39 and name c) 1.0 -60.0 30.0 2    !Phi
assign (resid 39 and name n)(resid 39 and name ca)
        (resid 39 and name c)(resid 40 and name n) 1.0 -40.0 30.0 2  !Psi
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 60.0  2    !Chi1

!C41
assign  (resid 40 and name c)(resid 41 and name n)
        (resid 41 and name ca)(resid 41 and name c) 1.0 -60.0 30.0 2    !Phi
assign  (resid 41 and name n)(resid 41 and name ca)
        (resid 41 and name cb)(resid 41 and name sg) 1.0  60.0 60.0  2    !Chi1

!H43
assign  (resid 42 and name c)(resid 43 and name n)
        (resid 43 and name ca)(resid 43 and name c) 1.0 -120.0 40.0 2    !Phi

!F47
assign  (resid 46 and name c)(resid 47 and name n)
         (resid 47 and name ca)(resid 47 and name c) 1.0 -100.0 80.0 2    !Phi

!E48
assign  (resid 47 and name c)(resid 48 and name n)
        (resid 48 and name ca)(resid 48 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 48 and name n)(resid 48 and name ca)
        (resid 48 and name c)(resid 49 and name n) 1.0 120.0 60.0 2  !Psi


!Y49
assign  (resid 48 and name c)(resid 49 and name n)
        (resid 49 and name ca)(resid 49 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 49 and name n)(resid 49 and name ca)
        (resid 49 and name c)(resid 50 and name n) 1.0 120.0 60.0 2  !Psi
assign  (resid 49 and name n)(resid 49 and name ca)
        (resid 49 and name cb)(resid 49 and name cg) 1.0  60.0 60.0  2    !Chi1

!S50
assign  (resid 49 and name c)(resid 50 and name n)
        (resid 50 and name ca)(resid 50 and name c) 1.0 -120.0 40.0 2    !Phi
assign (resid 50 and name n)(resid 50 and name ca)
        (resid 50 and name c)(resid 51 and name n) 1.0 120.0 60.0 2  !Psi


!N51
assign  (resid 51 and name n)(resid 51 and name ca)
        (resid 51 and name cb)(resid 51 and name cg) 1.0  -60.0 60.0  2    !Chi1


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