NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
4443 1f7e cing 1-original 6 XPLOR/CNS dihedral angle


! phi dihedrals

 assign (resid   3 and name c ) (resid   4 and name n ) (resid   4 and name ca ) (resid   4 and name c )  1.0  -120.0 30.0 2

 assign (resid   6 and name c ) (resid   7 and name n ) (resid   7 and name ca ) (resid   7 and name c )  1.0  -70.0 20.0 2

 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 30.0 2

 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

 assign (resid  15 and name c ) (resid  16 and name n ) (resid  16 and name ca ) (resid  16 and name c )  1.0  -120.0 30.0 2

 assign (resid  16 and name c ) (resid  17 and name n ) (resid  17 and name ca ) (resid  17 and name c )  1.0  -120.0 30.0 2

 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 30.0 2

 assign (resid  19 and name c ) (resid  20 and name n ) (resid  20 and name ca ) (resid  20 and name c )  1.0  -120.0 30.0 2

 assign (resid  22 and name c ) (resid  23 and name n ) (resid  23 and name ca ) (resid  23 and name c )  1.0  -100.0 80.0 2

 assign (resid  23 and name c ) (resid  24 and name n ) (resid  24 and name ca ) (resid  24 and name c )  1.0  -120.0 30.0 2

 assign (resid  24 and name c ) (resid  25 and name n ) (resid  25 and name ca ) (resid  25 and name c )  1.0  -120.0 30.0 2

 assign (resid  25 and name c ) (resid  26 and name n ) (resid  26 and name ca ) (resid  26 and name c )  1.0  -120.0 30.0 2

 assign (resid  26 and name c ) (resid  27 and name n ) (resid  27 and name ca ) (resid  27 and name c )  1.0  -120.0 30.0 2

 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 30.0 2 !M

 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 30.0 2

 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 30.0 2

 assign (resid  34 and name c ) (resid  35 and name n ) (resid  35 and name ca ) (resid  35 and name c )  1.0  -70.0 20.0 2

 assign (resid  35 and name c ) (resid  36 and name n ) (resid  36 and name ca ) (resid  36 and name c )  1.0  -120.0 30.0 2

 assign (resid  38 and name c ) (resid  39 and name n ) (resid  39 and name ca ) (resid  39 and name c )  1.0  -120.0 30.0 2

 assign (resid  39 and name c ) (resid  40 and name n ) (resid  40 and name ca ) (resid  40 and name c )  1.0  -100.0 80.0 2

 assign (resid  40 and name c ) (resid  41 and name n ) (resid  41 and name ca ) (resid  41 and name c )  1.0  -100.0 80.0 2

!

! planar peptide restraints

assign (resid   1 and name ca ) (resid   1 and name c ) (resid   2 and name n ) (resid   2 and name ca )  1.0  180.0 10.0 2 

assign (resid   2 and name ca ) (resid   2 and name c ) (resid   3 and name n ) (resid   3 and name ca )  1.0  180.0 10.0 2 

assign (resid   3 and name ca ) (resid   3 and name c ) (resid   4 and name n ) (resid   4 and name ca )  1.0  180.0 10.0 2 

assign (resid   4 and name ca ) (resid   4 and name c ) (resid   5 and name n ) (resid   5 and name ca )  1.0  180.0 10.0 2 

assign (resid   5 and name ca ) (resid   5 and name c ) (resid   6 and name n ) (resid   6 and name ca )  1.0  180.0 10.0 2 

assign (resid   6 and name ca ) (resid   6 and name c ) (resid   7 and name n ) (resid   7 and name ca )  1.0  180.0 10.0 2 

assign (resid   7 and name ca ) (resid   7 and name c ) (resid   8 and name n ) (resid   8 and name ca )  1.0  180.0 10.0 2 

assign (resid   8 and name ca ) (resid   8 and name c ) (resid   9 and name n ) (resid   9 and name ca )  1.0  180.0 10.0 2 

assign (resid   9 and name ca ) (resid   9 and name c ) (resid  10 and name n ) (resid  10 and name ca )  1.0  180.0 10.0 2 

assign (resid  11 and name ca ) (resid  11 and name c ) (resid  12 and name n ) (resid  12 and name ca )  1.0  180.0 10.0 2 

assign (resid  12 and name ca ) (resid  12 and name c ) (resid  13 and name n ) (resid  13 and name ca )  1.0  180.0 10.0 2 

assign (resid  13 and name ca ) (resid  13 and name c ) (resid  14 and name n ) (resid  14 and name ca )  1.0  180.0 10.0 2 

assign (resid  14 and name ca ) (resid  14 and name c ) (resid  15 and name n ) (resid  15 and name ca )  1.0  180.0 10.0 2 

assign (resid  15 and name ca ) (resid  15 and name c ) (resid  16 and name n ) (resid  16 and name ca )  1.0  180.0 10.0 2 

assign (resid  16 and name ca ) (resid  16 and name c ) (resid  17 and name n ) (resid  17 and name ca )  1.0  180.0 10.0 2 

assign (resid  17 and name ca ) (resid  17 and name c ) (resid  18 and name n ) (resid  18 and name ca )  1.0  180.0 10.0 2 

assign (resid  18 and name ca ) (resid  18 and name c ) (resid  19 and name n ) (resid  19 and name ca )  1.0  180.0 10.0 2 

assign (resid  19 and name ca ) (resid  19 and name c ) (resid  20 and name n ) (resid  20 and name ca )  1.0  180.0 10.0 2 

assign (resid  20 and name ca ) (resid  20 and name c ) (resid  21 and name n ) (resid  21 and name ca )  1.0  180.0 10.0 2 

assign (resid  21 and name ca ) (resid  21 and name c ) (resid  22 and name n ) (resid  22 and name ca )  1.0  180.0 10.0 2 

assign (resid  22 and name ca ) (resid  22 and name c ) (resid  23 and name n ) (resid  23 and name ca )  1.0  180.0 10.0 2 

assign (resid  23 and name ca ) (resid  23 and name c ) (resid  24 and name n ) (resid  24 and name ca )  1.0  180.0 10.0 2 

assign (resid  24 and name ca ) (resid  24 and name c ) (resid  25 and name n ) (resid  25 and name ca )  1.0  180.0 10.0 2 

assign (resid  25 and name ca ) (resid  25 and name c ) (resid  26 and name n ) (resid  26 and name ca )  1.0  180.0 10.0 2 

assign (resid  26 and name ca ) (resid  26 and name c ) (resid  27 and name n ) (resid  27 and name ca )  1.0  180.0 10.0 2 

assign (resid  27 and name ca ) (resid  27 and name c ) (resid  28 and name n ) (resid  28 and name ca )  1.0  180.0 10.0 2 

assign (resid  28 and name ca ) (resid  28 and name c ) (resid  29 and name n ) (resid  29 and name ca )  1.0  180.0 10.0 2 

assign (resid  29 and name ca ) (resid  29 and name c ) (resid  30 and name n ) (resid  30 and name ca )  1.0  180.0 10.0 2 

assign (resid  31 and name ca ) (resid  31 and name c ) (resid  32 and name n ) (resid  32 and name ca )  1.0  180.0 10.0 2 

assign (resid  32 and name ca ) (resid  32 and name c ) (resid  33 and name n ) (resid  33 and name ca )  1.0  180.0 10.0 2 

assign (resid  33 and name ca ) (resid  33 and name c ) (resid  34 and name n ) (resid  34 and name ca )  1.0  180.0 10.0 2 

assign (resid  34 and name ca ) (resid  34 and name c ) (resid  35 and name n ) (resid  35 and name ca )  1.0  180.0 10.0 2 

assign (resid  35 and name ca ) (resid  35 and name c ) (resid  36 and name n ) (resid  36 and name ca )  1.0  180.0 10.0 2 

assign (resid  36 and name ca ) (resid  36 and name c ) (resid  37 and name n ) (resid  37 and name ca )  1.0  180.0 10.0 2 

assign (resid  37 and name ca ) (resid  37 and name c ) (resid  38 and name n ) (resid  38 and name ca )  1.0  180.0 10.0 2 

assign (resid  38 and name ca ) (resid  38 and name c ) (resid  39 and name n ) (resid  39 and name ca )  1.0  180.0 10.0 2 

assign (resid  39 and name ca ) (resid  39 and name c ) (resid  40 and name n ) (resid  40 and name ca )  1.0  180.0 10.0 2 

assign (resid  40 and name ca ) (resid  40 and name c ) (resid  41 and name n ) (resid  41 and name ca )  1.0  180.0 10.0 2 

assign (resid  41 and name ca ) (resid  41 and name c ) (resid  42 and name n ) (resid  42 and name ca )  1.0  180.0 10.0 2 

assign (resid  42 and name ca ) (resid  42 and name c ) (resid  43 and name n ) (resid  43 and name ca )  1.0  180.0 10.0 2 

assign (resid  43 and name ca ) (resid  43 and name c ) (resid  44 and name n ) (resid  44 and name ca )  1.0  180.0 10.0 2 

assign (resid  44 and name ca ) (resid  44 and name c ) (resid  45 and name n ) (resid  45 and name ca )  1.0  180.0 10.0 2 

assign (resid  45 and name ca ) (resid  45 and name c ) (resid  46 and name n ) (resid  46 and name ca )  1.0  180.0 10.0 2 

!

! planar Arg side chain restraints

assign (resid  35 and name cd ) (resid  35 and name ne ) (resid  35 and name cz ) (resid  35 and name nh1 )  1.0  180.0 10.0 2 

!

! sidechain chi1 restraints

 assign (resid  11 and name n ) (resid  11 and name ca ) (resid  11 and name cb ) (resid  11 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  13 and name n ) (resid  13 and name ca ) (resid  13 and name cb ) (resid  13 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  17 and name n ) (resid  17 and name ca ) (resid  17 and name cb ) (resid  17 and name sg )   1.0  180.0 20.0 2 

 assign (resid  19 and name n ) (resid  19 and name ca ) (resid  19 and name cb ) (resid  19 and name cg )   1.0   60.0 20.0 2 

 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 20.0 2 

 assign (resid  26 and name n ) (resid  26 and name ca ) (resid  26 and name cb ) (resid  26 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  27 and name n ) (resid  27 and name ca ) (resid  27 and name cb ) (resid  27 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  28 and name n ) (resid  28 and name ca ) (resid  28 and name cb ) (resid  28 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  32 and name n ) (resid  32 and name ca ) (resid  32 and name cb ) (resid  32 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  36 and name n ) (resid  36 and name ca ) (resid  36 and name cb ) (resid  36 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  37 and name n ) (resid  37 and name ca ) (resid  37 and name cb ) (resid  37 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  38 and name n ) (resid  38 and name ca ) (resid  38 and name cb ) (resid  38 and name cg )   1.0   60.0 20.0 2 

 assign (resid  41 and name n ) (resid  41 and name ca ) (resid  41 and name cb ) (resid  41 and name cg )   1.0  -60.0 20.0 2 



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