NMR Restraints Grid

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

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	614971	5j05	30045	cing	1-original	2	STAR	chemical shift

#
  #  Everything from a hash-character ('#') to the end of a line is
  #  a comment that is ignored.  This is an example of a comment.
  #

  loop_   
    _Atom_chem_shift.ID                    # Row number
    _Atom_chem_shift.Entity_assembly_ID    # Defines the polymer chain
    _Atom_chem_shift.Comp_index_ID         # Residue number
    _Atom_chem_shift.Comp_ID               # Residue label
    _Atom_chem_shift.Atom_ID               # Atom name
    _Atom_chem_shift.Atom_type             
    _Atom_chem_shift.Atom_isotope_number   
    _Atom_chem_shift.Val                   
    _Atom_chem_shift.Val_err               
    _Atom_chem_shift.Assign_fig_of_merit   
    _Atom_chem_shift.Ambiguity_code       # For the meaning of this , see above.

#
#      Entity  Comp                     Atom                   Assign. Atom
#     Assembly index Comp   Atom  Atom  isot.             Val  fig. of Ambig.
#  ID    ID    ID    ID     ID    type  num        Val    err  merit   code  
#----------------------------------------------------------------------------
#
#

    1     1     1    GLY    HA2     H     1      4.065    0.02    .    2            
    2     1     1    GLY    HA3     H     1      4.192    0.02    .    2            
    3     1     1    GLY    CA      C    13     44.876    0.30    .    1            
    4     1     2    SER    H       H     1      8.933    0.02    .    1            
    5     1     2    SER    HA      H     1      4.653    0.02    .    1            
    6     1     2    SER    HB2     H     1      4.057    0.02    .    2            
    7     1     2    SER    HB3     H     1      4.071    0.02    .    2            
    8     1     2    SER    C       C    13    175.530    0.30    .    1            
    9     1     2    SER    CA      C    13     57.162    0.30    .    1            
   10     1     2    SER    CB      C    13     65.356    0.30    .    1            
   11     1     2    SER    N       N    15    118.407    0.30    .    1            


   stop_  # This marks the end of the table.

# ---- (This example only shows the first two residues in the list.) ---


remarks


# A Minimal example with some optional columns removed
loop_   
  _Atom_chem_shift.ID
  _Atom_chem_shift.Entity_assembly_ID
  _Atom_chem_shift.Comp_index_ID
  _Atom_chem_shift.Comp_ID
  _Atom_chem_shift.Atom_ID
  _Atom_chem_shift.Atom_isotope_number   
  _Atom_chem_shift.Val                   
  _Atom_chem_shift.Val_err               

 1  1  1  GLY  HA2  1    4.065  0.02     
 2  1  1  GLY  HA3  1    4.192  0.02     
 3  1  1  GLY  CA  13   44.876  0.30     
 4  1  2  SER  H    1    8.933  0.02     
 5  1  2  SER  HA   1    4.653  0.02     
 6  1  2  SER  HB2  1    4.057  0.02     
 7  1  2  SER  HB3  1    4.071  0.02     
 8  1  2  SER  C   13  175.530  0.30     
 9  1  2  SER  CA  13   57.162  0.30     
10  1  2  SER  CB  13   65.356  0.30     
11  1  2  SER  N   15  118.407  0.30     


   stop_ 

Contact the webmaster for help, if required. Wednesday, April 24, 2024 1:41:40 AM GMT (wattos1)