NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
5827 1i0u cing 1-original 4 XPLOR/CNS dihedral angle


!Dihedral restraints for EGF-AB
restraints dihedral reset


!EGF-A
assign (resid 2 and name c)(resid 3 and name n)
       (resid 3 and name ca)(resid 3 and name c)      1.0 -120 45 2

assign (resid 3 and name c)(resid 4 and name n)
       (resid 4 and name ca)(resid 4 and name c)      1.0 -60 30 2

assign (resid 4 and name c)(resid 5 and name n)
       (resid 5 and name ca)(resid 5 and name c)      1.0 -60 25 2

assign (resid 5 and name c)(resid 6 and name n)
       (resid 6 and name ca)(resid 6 and name c)      1.0 -60 25 2

assign (resid 6 and name c)(resid 7 and name n)
       (resid 7 and name ca)(resid 7 and name c)      1.0 -120 40 2

assign (resid 7 and name c)(resid 8 and name n)
       (resid 8 and name ca)(resid 8 and name c)      1.0 -60 25 2

assign (resid 8 and name c)(resid 9 and name n)
       (resid 9 and name ca)(resid 9 and name c)     1.0 -60 25 2

assign (resid 11 and name c)(resid 12 and name n)
       (resid 12 and name ca)(resid 12 and name c)    1.0 -120 45 2

assign (resid 12 and name c)(resid 13 and name n)
       (resid 13 and name ca)(resid 13 and name c)    1.0 -120 45 2

assign (resid 13 and name c)(resid 14 and name n)
       (resid 14 and name ca)(resid 14 and name c)    1.0 -120 40 2

assign (resid 14 and name c)(resid 15 and name n)
       (resid 15 and name ca)(resid 15 and name c)    1.0 -120 40 2

assign (resid 15 and name c)(resid 16 and name n)
       (resid 16 and name ca)(resid 16 and name c)    1.0 -120 45 2

assign (resid 16 and name c)(resid 17 and name n)
       (resid 17 and name ca)(resid 17 and name c)    1.0 -120 45 2

assign (resid 17 and name c)(resid 18 and name n)
       (resid 18 and name ca)(resid 18 and name c)    1.0 -60 25 2

assign (resid 19 and name c)(resid 20 and name n)
       (resid 20 and name ca)(resid 20 and name c)    1.0 -60 25 2

assign (resid 20 and name c)(resid 21 and name n)
       (resid 21 and name ca)(resid 21 and name c)    1.0 -120 40 2

assign (resid 22 and name c)(resid 23 and name n)
       (resid 23 and name ca)(resid 23 and name c)    1.0 -60 25 2

assign (resid 23 and name c)(resid 24 and name n)
       (resid 24 and name ca)(resid 24 and name c)    1.0 -120 40 2

assign (resid 24 and name c)(resid 25 and name n)
       (resid 25 and name ca)(resid 25 and name c)    1.0 -120 40 2

assign (resid 25 and name c)(resid 26 and name n)
       (resid 26 and name ca)(resid 26 and name c)    1.0 -120 45 2

assign (resid 26 and name c)(resid 27 and name n)
       (resid 27 and name ca)(resid 27 and name c)    1.0 -120 40 2

assign (resid 28 and name c)(resid 29 and name n)
       (resid 29 and name ca)(resid 29 and name c)    1.0 -120 40 2

assign (resid 29 and name c)(resid 30 and name n)
       (resid 30 and name ca)(resid 30 and name c)    1.0 -60 25 2

assign (resid 30 and name c)(resid 31 and name n)
       (resid 31 and name ca)(resid 31 and name c)    1.0 -100 65 2

assign (resid 31 and name c)(resid 32 and name n)
       (resid 32 and name ca)(resid 32 and name c)    1.0 -120 40 2

assign (resid 32 and name c)(resid 33 and name n)
       (resid 33 and name ca)(resid 33 and name c)    1.0 -60 25 2

assign (resid 33 and name c)(resid 34 and name n)
       (resid 34 and name ca)(resid 34 and name c)    1.0 -120 40 2

assign (resid 34 and name c)(resid 35 and name n)
       (resid 35 and name ca)(resid 35 and name c)    1.0 -60 25 2

assign (resid 35 and name c)(resid 36 and name n)
       (resid 36 and name ca)(resid 36 and name c)    1.0 50 40 2

assign (resid 36 and name c)(resid 37 and name n)
       (resid 37 and name ca)(resid 37 and name c)    1.0 -140 20 2 

assign (resid 37 and name c)(resid 38 and name n)
       (resid 38 and name ca)(resid 38 and name c)    1.0 -120 40 2

assign (resid 38 and name c)(resid 39 and name n)
       (resid 39 and name ca)(resid 39 and name c)    1.0 -60 35 2


!LINKER
assign (resid 39 and name c)(resid 40 and name n)
       (resid 40 and name ca)(resid 40 and name c)    1.0 -120 40 2

assign (resid 40 and name c)(resid 41 and name n)
       (resid 41 and name ca)(resid 41 and name c)    1.0 -100 65 2 

assign (resid 41 and name c)(resid 42 and name n)
       (resid 42 and name ca)(resid 42 and name c)    1.0 -100 65 2

assign (resid 42 and name c)(resid 43 and name n)
       (resid 43 and name ca)(resid 43 and name c)    1.0 -100 65 2

assign (resid 43 and name c)(resid 44 and name n)
       (resid 44 and name ca)(resid 44 and name c)    1.0 -60 25 2 


!EGF-B
assign (resid 44 and name c)(resid 45 and name n)
       (resid 45 and name ca)(resid 45 and name c)    1.0 -60 25 2

assign (resid 45 and name c)(resid 46 and name n)
       (resid 46 and name ca)(resid 46 and name c)    1.0 -60 25 2

assign (resid 46 and name c)(resid 47 and name n)
       (resid 47 and name ca)(resid 47 and name c)    1.0 -120 40 2

assign (resid 48 and name c)(resid 49 and name n)
       (resid 49 and name ca)(resid 49 and name c)    1.0 -120 40 2

assign (resid 49 and name c)(resid 50 and name n)
       (resid 50 and name ca)(resid 50 and name c)    1.0 -60 25 2

assign (resid 50 and name c)(resid 51 and name n)
       (resid 51 and name ca)(resid 51 and name c)    1.0 -120 40 2

assign (resid 52 and name c)(resid 53 and name n)
       (resid 53 and name ca)(resid 53 and name c)    1.0 -100 65 2

assign (resid 54 and name c)(resid 55 and name n)
       (resid 55 and name ca)(resid 55 and name c)    1.0 -120 40 2

assign (resid 55 and name c)(resid 56 and name n)
       (resid 56 and name ca)(resid 56 and name c)    1.0 -120 40 2

assign (resid 56 and name c)(resid 57 and name n)
       (resid 57 and name ca)(resid 57 and name c)    1.0 -60 25 2

assign (resid 58 and name c)(resid 59 and name n)
       (resid 59 and name ca)(resid 59 and name c)    1.0 -60 25 2

!dqf

assign (resid 59 and name c)(resid 60 and name n)
       (resid 60 and name ca)(resid 60 and name c)    1.0 50 40 2

assign (resid 60 and name c)(resid 61 and name n)
       (resid 61 and name ca)(resid 61 and name c)    1.0 -60 25 2

assign (resid 61 and name c)(resid 62 and name n)
       (resid 62 and name ca)(resid 62 and name c)    1.0 -100 65 2

assign (resid 62 and name c)(resid 63 and name n)
       (resid 63 and name ca)(resid 63 and name c)    1.0 -100 65 2

assign (resid 63 and name c)(resid 64 and name n)
       (resid 64 and name ca)(resid 64 and name c)    1.0 -120 40 2

assign (resid 64 and name c)(resid 65 and name n)
       (resid 65 and name ca)(resid 65 and name c)    1.0 -120 40 2

!dqf
assign (resid 65 and name c)(resid 66 and name n)
       (resid 66 and name ca)(resid 66 and name c)    1.0 -120 40 2 

assign (resid 66 and name c)(resid 67 and name n)
       (resid 67 and name ca)(resid 67 and name c)    1.0 -60 25 2

assign (resid 70 and name c)(resid 71 and name n)
       (resid 71 and name ca)(resid 71 and name c)    1.0 -120 40 2

assign (resid 71 and name c)(resid 72 and name n)
       (resid 72 and name ca)(resid 72 and name c)    1.0 -120 40 2

assign (resid 72 and name c)(resid 73 and name n)
       (resid 73 and name ca)(resid 73 and name c)    1.0 -60 25 2

assign (resid 75 and name c)(resid 76 and name n)
       (resid 76 and name ca)(resid 76 and name c)    1.0 -120 40 2

assign (resid 77 and name c)(resid 78 and name n)
       (resid 78 and name ca)(resid 78 and name c)    1.0 -120 40 2

assign (resid 78 and name c)(resid 79 and name n)
       (resid 79 and name ca)(resid 79 and name c)    1.0 -120 40 2

assign (resid 79 and name c)(resid 80 and name n)
       (resid 80 and name ca)(resid 80 and name c)    1.0 -120 40 2

assign (resid 80 and name c)(resid 81 and name n)
       (resid 81 and name ca)(resid 81 and name c)    1.0 -60 25 2


!chi angles

assign (resid 3 and name N ) (resid 3 and name CA)
       (resid 3 and name CB) (resid 3 and name CG)    1.0 180  30 2

assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name CB) (resid 14 and name CG)    1.0 -60  30 2

assign (resid 17 and name N ) (resid 17 and name CA)
       (resid 17 and name CB) (resid 17 and name CG)    1.0 180  30 2

assign (resid 23 and name N ) (resid 23 and name CA)
       (resid 23 and name CB) (resid 23 and name CG)    1.0 -60	30 2

assign (resid 47 and name N ) (resid 47 and name CA)
       (resid 47 and name CB) (resid 47 and name CG)    1.0 180  30 2

assign (resid 8 and name N ) (resid 8 and name CA)
       (resid 8 and name CB) (resid 8 and name CG)    1.0 -60  30 2

assign (resid 66 and name N ) (resid 66 and name CA)
       (resid 66 and name CB) (resid 66 and name SG)    1.0 -60  30 2

assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name CB) (resid 27 and name SG)    1.0 -60  30 2

assign (resid 62 and name N ) (resid 62 and name CA)
       (resid 62 and name CB) (resid 62 and name CG)    1.0 60  30 2

assign (resid 45 and name N ) (resid 45 and name CA)
       (resid 45 and name CB) (resid 45 and name SG)    1.0 -60  30 2

assign (resid 57 and name N ) (resid 57 and name CA)
       (resid 57 and name CB) (resid 57 and name CG)    1.0 180  30 2

assign (resid 73 and name N ) (resid 73 and name CA)
       (resid 73 and name CB) (resid 73 and name CG)	1.0 180  30 2

assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name CB) (resid 16 and name SG)    1.0  60  30 2

assign (resid 51 and name N ) (resid 51 and name CA)
       (resid 51 and name CB) (resid 51 and name SG)    1.0  -60  30 2



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