NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
29057 1agt cing 2-parsed STAR dihedral angle 80


data_1agt_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1agt 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_1agt   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1agt 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   1agt   "Master copy"    parsed_1agt   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1agt 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   1agt.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      2    stereochemistry           chirality          "Not applicable"      0   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      3    distance                 "hydrogen bond"      simple              24   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      4    distance                  NOE                 simple             564   parsed_1agt   1   
        1   1agt.mr   .   .    DISCOVER      5   "dihedral angle"          "Not applicable"    "Not applicable"     80   parsed_1agt   1   
        1   1agt.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1agt   1   
    stop_

save_


save_Discover_dihedral_5
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1agt 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            5 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    1   GLYN   CA   1    1   GLYN   C    1    2   VAL    N    1    2   VAL    CA    parsed_1agt   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    2   VAL    CA   1    2   VAL    C    1    3   PRO    N    1    3   PRO    CA    parsed_1agt   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    3   PRO    CA   1    3   PRO    C    1    4   ILE    N    1    4   ILE    CA    parsed_1agt   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    4   ILE    CA   1    4   ILE    C    1    5   ASN    N    1    5   ASN    CA    parsed_1agt   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    5   ASN    CA   1    5   ASN    C    1    6   VAL    N    1    6   VAL    CA    parsed_1agt   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    6   VAL    CA   1    6   VAL    C    1    7   SER    N    1    7   SER    CA    parsed_1agt   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    7   SER    CA   1    7   SER    C    1    8   CYS    N    1    8   CYS    CA    parsed_1agt   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    8   CYS    CA   1    8   CYS    C    1    9   THR    N    1    9   THR    CA    parsed_1agt   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1    9   THR    CA   1    9   THR    C    1   10   GLY    N    1   10   GLY    CA    parsed_1agt   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   10   GLY    CA   1   10   GLY    C    1   11   SER    N    1   11   SER    CA    parsed_1agt   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   11   SER    CA   1   11   SER    C    1   12   PRO    N    1   12   PRO    CA    parsed_1agt   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   12   PRO    CA   1   12   PRO    C    1   13   GLN    N    1   13   GLN    CA    parsed_1agt   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   13   GLN    CA   1   13   GLN    C    1   14   CYS    N    1   14   CYS    CA    parsed_1agt   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   14   CYS    CA   1   14   CYS    C    1   15   ILE    N    1   15   ILE    CA    parsed_1agt   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   15   ILE    CA   1   15   ILE    C    1   16   LYS+   N    1   16   LYS+   CA    parsed_1agt   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   16   LYS+   CA   1   16   LYS+   C    1   17   PRO    N    1   17   PRO    CA    parsed_1agt   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   17   PRO    CA   1   17   PRO    C    1   18   CYS    N    1   18   CYS    CA    parsed_1agt   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   18   CYS    CA   1   18   CYS    C    1   19   LYS+   N    1   19   LYS+   CA    parsed_1agt   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   19   LYS+   CA   1   19   LYS+   C    1   20   ASP-   N    1   20   ASP-   CA    parsed_1agt   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   20   ASP-   CA   1   20   ASP-   C    1   21   ALA    N    1   21   ALA    CA    parsed_1agt   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   21   ALA    CA   1   21   ALA    C    1   22   GLY    N    1   22   GLY    CA    parsed_1agt   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   22   GLY    CA   1   22   GLY    C    1   23   MET    N    1   23   MET    CA    parsed_1agt   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   23   MET    CA   1   23   MET    C    1   24   ARG+   N    1   24   ARG+   CA    parsed_1agt   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   24   ARG+   CA   1   24   ARG+   C    1   25   PHE    N    1   25   PHE    CA    parsed_1agt   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   25   PHE    CA   1   25   PHE    C    1   26   GLY    N    1   26   GLY    CA    parsed_1agt   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   26   GLY    CA   1   26   GLY    C    1   27   LYS+   N    1   27   LYS+   CA    parsed_1agt   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   27   LYS+   CA   1   27   LYS+   C    1   28   CYS    N    1   28   CYS    CA    parsed_1agt   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   28   CYS    CA   1   28   CYS    C    1   29   MET    N    1   29   MET    CA    parsed_1agt   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   29   MET    CA   1   29   MET    C    1   30   ASN    N    1   30   ASN    CA    parsed_1agt   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   30   ASN    CA   1   30   ASN    C    1   31   ARG+   N    1   31   ARG+   CA    parsed_1agt   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   31   ARG+   CA   1   31   ARG+   C    1   32   LYS+   N    1   32   LYS+   CA    parsed_1agt   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   32   LYS+   CA   1   32   LYS+   C    1   33   CYS    N    1   33   CYS    CA    parsed_1agt   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   33   CYS    CA   1   33   CYS    C    1   34   HIS+   N    1   34   HIS+   CA    parsed_1agt   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   34   HIS+   CA   1   34   HIS+   C    1   35   CYS    N    1   35   CYS    CA    parsed_1agt   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   35   CYS    CA   1   35   CYS    C    1   36   THR    N    1   36   THR    CA    parsed_1agt   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   36   THR    CA   1   36   THR    C    1   37   PRO    N    1   37   PRO    CA    parsed_1agt   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    170.000   -170.000   .   1   37   PRO    CA   1   37   PRO    C    1   38   LY+C   N    1   38   LY+C   CA    parsed_1agt   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.000     90.000   .   1    5   ASN    N    1    5   ASN    CA   1    5   ASN    CB   1    5   ASN    CG    parsed_1agt   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.000   -150.000   .   1    6   VAL    N    1    6   VAL    CA   1    6   VAL    CB   1    6   VAL    CGR   parsed_1agt   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1    8   CYS    N    1    8   CYS    CA   1    8   CYS    CB   1    8   CYS    SG    parsed_1agt   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.000     90.000   .   1    9   THR    N    1    9   THR    CA   1    9   THR    CB   1    9   THR    CG2   parsed_1agt   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   13   GLN    N    1   13   GLN    CA   1   13   GLN    CB   1   13   GLN    CG    parsed_1agt   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   14   CYS    N    1   14   CYS    CA   1   14   CYS    CB   1   14   CYS    SG    parsed_1agt   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   18   CYS    N    1   18   CYS    CA   1   18   CYS    CB   1   18   CYS    SG    parsed_1agt   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   23   MET    N    1   23   MET    CA   1   23   MET    CB   1   23   MET    CG    parsed_1agt   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   25   PHE    N    1   25   PHE    CA   1   25   PHE    CB   1   25   PHE    CG    parsed_1agt   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.000   -150.000   .   1   28   CYS    N    1   28   CYS    CA   1   28   CYS    CB   1   28   CYS    SG    parsed_1agt   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   29   MET    N    1   29   MET    CA   1   29   MET    CB   1   29   MET    CG    parsed_1agt   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   30   ASN    N    1   30   ASN    CA   1   30   ASN    CB   1   30   ASN    CG    parsed_1agt   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   31   ARG+   N    1   31   ARG+   CA   1   31   ARG+   CB   1   31   ARG+   CG    parsed_1agt   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   32   LYS+   N    1   32   LYS+   CA   1   32   LYS+   CB   1   32   LYS+   CG    parsed_1agt   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   33   CYS    N    1   33   CYS    CA   1   33   CYS    CB   1   33   CYS    SG    parsed_1agt   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   34   HIS+   N    1   34   HIS+   CA   1   34   HIS+   CB   1   34   HIS+   CG    parsed_1agt   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.000    -30.000   .   1   35   CYS    N    1   35   CYS    CA   1   35   CYS    CB   1   35   CYS    SG    parsed_1agt   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.4     -135.4     .   1    4   ILE    HN   1    4   ILE    N    1    4   ILE    CA   1    4   ILE    HA    parsed_1agt   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.1       31.1     .   1    5   ASN    HN   1    5   ASN    N    1    5   ASN    CA   1    5   ASN    HA    parsed_1agt   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.2     -136.2     .   1    6   VAL    HN   1    6   VAL    N    1    6   VAL    CA   1    6   VAL    HA    parsed_1agt   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    119.3       36.5     .   1    7   SER    HN   1    7   SER    N    1    7   SER    CA   1    7   SER    HA    parsed_1agt   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    130.8     -130.8     .   1    8   CYS    HN   1    8   CYS    N    1    8   CYS    CA   1    8   CYS    HA    parsed_1agt   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    152.7     -152.7     .   1    9   THR    HN   1    9   THR    N    1    9   THR    CA   1    9   THR    HA    parsed_1agt   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.3       41.2     .   1   13   GLN    HN   1   13   GLN    N    1   13   GLN    CA   1   13   GLN    HA    parsed_1agt   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.2       15.3     .   1   14   CYS    HN   1   14   CYS    N    1   14   CYS    CA   1   14   CYS    HA    parsed_1agt   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.1      137.1     .   1   15   ILE    HN   1   15   ILE    N    1   15   ILE    CA   1   15   ILE    HA    parsed_1agt   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.7      140.7     .   1   16   LYS+   HN   1   16   LYS+   N    1   16   LYS+   CA   1   16   LYS+   HA    parsed_1agt   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -141.4      141.4     .   1   19   LYS+   HN   1   19   LYS+   N    1   19   LYS+   CA   1   19   LYS+   HA    parsed_1agt   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.6      135.6     .   1   20   ASP-   HN   1   20   ASP-   N    1   20   ASP-   CA   1   20   ASP-   HA    parsed_1agt   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.9     -127.9     .   1   21   ALA    HN   1   21   ALA    N    1   21   ALA    CA   1   21   ALA    HA    parsed_1agt   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.2     -136.2     .   1   23   MET    HN   1   23   MET    N    1   23   MET    CA   1   23   MET    HA    parsed_1agt   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    134.7     -134.7     .   1   24   ARG+   HN   1   24   ARG+   N    1   24   ARG+   CA   1   24   ARG+   HA    parsed_1agt   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129.4     -129.4     .   1   25   PHE    HN   1   25   PHE    N    1   25   PHE    CA   1   25   PHE    HA    parsed_1agt   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.8     -137.8     .   1   27   LYS+   HN   1   27   LYS+   N    1   27   LYS+   CA   1   27   LYS+   HA    parsed_1agt   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    137.0     -137.0     .   1   28   CYS    HN   1   28   CYS    N    1   28   CYS    CA   1   28   CYS    HA    parsed_1agt   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    138.7     -138.7     .   1   29   MET    HN   1   29   MET    N    1   29   MET    CA   1   29   MET    HA    parsed_1agt   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.9     -127.9     .   1   30   ASN    HN   1   30   ASN    N    1   30   ASN    CA   1   30   ASN    HA    parsed_1agt   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.8       29.6     .   1   31   ARG+   HN   1   31   ARG+   N    1   31   ARG+   CA   1   31   ARG+   HA    parsed_1agt   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    139.5     -139.5     .   1   32   LYS+   HN   1   32   LYS+   N    1   32   LYS+   CA   1   32   LYS+   HA    parsed_1agt   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -145.0      145.0     .   1   33   CYS    HN   1   33   CYS    N    1   33   CYS    CA   1   33   CYS    HA    parsed_1agt   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.4     -140.4     .   1   34   HIS+   HN   1   34   HIS+   N    1   34   HIS+   CA   1   34   HIS+   HA    parsed_1agt   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.4     -140.4     .   1   36   THR    HN   1   36   THR    N    1   36   THR    CA   1   36   THR    HA    parsed_1agt   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.4     -140.4     .   1   38   LY+C   HN   1   38   LY+C   N    1   38   LY+C   CA   1   38   LY+C   HA    parsed_1agt   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

         1    NMR_dihedral                    1     1    1    13   parsed_1agt   1   
         2    3J_dihedral                    56     1   57    12   parsed_1agt   1   
         3   "A=6.510, B=-1.760, C=1.600"    58   124   58   150   parsed_1agt   1   
         4   "A=6.510, B=-1.760, C=1.600"    59   124   59   150   parsed_1agt   1   
         5   "A=6.510, B=-1.760, C=1.600"    60   124   60   150   parsed_1agt   1   
         6   "A=6.510, B=-1.760, C=1.600"    61   124   61   150   parsed_1agt   1   
         7   "A=6.510, B=-1.760, C=1.600"    62   124   62   150   parsed_1agt   1   
         8   "A=6.510, B=-1.760, C=1.600"    63   124   63   150   parsed_1agt   1   
         9   "A=6.510, B=-1.760, C=1.600"    64   124   64   150   parsed_1agt   1   
        10   "A=6.510, B=-1.760, C=1.600"    65   124   65   150   parsed_1agt   1   
        11   "A=6.510, B=-1.760, C=1.600"    66   124   66   150   parsed_1agt   1   
        12   "A=6.510, B=-1.760, C=1.600"    67   124   67   150   parsed_1agt   1   
        13   "A=6.510, B=-1.760, C=1.600"    68   124   68   150   parsed_1agt   1   
        14   "A=6.510, B=-1.760, C=1.600"    69   124   69   150   parsed_1agt   1   
        15   "A=6.510, B=-1.760, C=1.600"    70   124   70   150   parsed_1agt   1   
        16   "A=6.510, B=-1.760, C=1.600"    71   124   71   150   parsed_1agt   1   
        17   "A=6.510, B=-1.760, C=1.600"    72   124   72   150   parsed_1agt   1   
        18   "A=6.510, B=-1.760, C=1.600"    73   124   73   150   parsed_1agt   1   
        19   "A=6.510, B=-1.760, C=1.600"    74   124   74   150   parsed_1agt   1   
        20   "A=6.510, B=-1.760, C=1.600"    75   124   75   150   parsed_1agt   1   
        21   "A=6.510, B=-1.760, C=1.600"    76   124   76   150   parsed_1agt   1   
        22   "A=6.510, B=-1.760, C=1.600"    77   124   77   150   parsed_1agt   1   
        23   "A=6.510, B=-1.760, C=1.600"    78   124   78   150   parsed_1agt   1   
        24   "A=6.510, B=-1.760, C=1.600"    79   124   79   150   parsed_1agt   1   
        25   "A=6.510, B=-1.760, C=1.600"    80   124   80   150   parsed_1agt   1   
        26   "A=6.510, B=-1.760, C=1.600"    81   124   81   150   parsed_1agt   1   
        27   "A=6.510, B=-1.760, C=1.600"    82   124   82   150   parsed_1agt   1   
    stop_

save_





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