NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type item_count
475100 2kwq 16872 cing 2-parsed STAR dihedral angle 56


data_2kwq_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kwq 
    _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_2kwq   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kwq 
    _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   2kwq   "Master copy"    parsed_2kwq   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kwq 
    _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   2kwq.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2kwq   1   
        1   2kwq.mr   .   .    AMBER         2    distance                  NOE                 simple             2436   parsed_2kwq   1   
        1   2kwq.mr   .   .    AMBER         3   "dihedral angle"          "Not applicable"    "Not applicable"      56   parsed_2kwq   1   
        1   2kwq.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2kwq   1   
    stop_

save_


save_AMBER_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2kwq 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.4    -55.5   .   2kwq_ambr001   11   GLN   C   2kwq_ambr001   12   SER   N    2kwq_ambr001   12   SER   CA   2kwq_ambr001   12   SER   C   parsed_2kwq   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     84.4    164.4   .   2kwq_ambr001   12   SER   N   2kwq_ambr001   12   SER   CA   2kwq_ambr001   12   SER   C    2kwq_ambr001   13   CYS   N   parsed_2kwq   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -186.1   -106.2   .   2kwq_ambr001   12   SER   C   2kwq_ambr001   13   CYS   N    2kwq_ambr001   13   CYS   CA   2kwq_ambr001   13   CYS   C   parsed_2kwq   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.1    194.1   .   2kwq_ambr001   13   CYS   N   2kwq_ambr001   13   CYS   CA   2kwq_ambr001   13   CYS   C    2kwq_ambr001   14   ARG   N   parsed_2kwq   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0    -80.0   .   2kwq_ambr001   13   CYS   C   2kwq_ambr001   14   ARG   N    2kwq_ambr001   14   ARG   CA   2kwq_ambr001   14   ARG   C   parsed_2kwq   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.0    175.0   .   2kwq_ambr001   14   ARG   N   2kwq_ambr001   14   ARG   CA   2kwq_ambr001   14   ARG   C    2kwq_ambr001   15   VAL   N   parsed_2kwq   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.2    -80.2   .   2kwq_ambr001   14   ARG   C   2kwq_ambr001   15   VAL   N    2kwq_ambr001   15   VAL   CA   2kwq_ambr001   15   VAL   C   parsed_2kwq   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.1    197.1   .   2kwq_ambr001   15   VAL   N   2kwq_ambr001   15   VAL   CA   2kwq_ambr001   15   VAL   C    2kwq_ambr001   16   VAL   N   parsed_2kwq   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.8    -83.8   .   2kwq_ambr001   15   VAL   C   2kwq_ambr001   16   VAL   N    2kwq_ambr001   16   VAL   CA   2kwq_ambr001   16   VAL   C   parsed_2kwq   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.4    169.4   .   2kwq_ambr001   16   VAL   N   2kwq_ambr001   16   VAL   CA   2kwq_ambr001   16   VAL   C    2kwq_ambr001   17   THR   N   parsed_2kwq   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.4    -70.4   .   2kwq_ambr001   16   VAL   C   2kwq_ambr001   17   THR   N    2kwq_ambr001   17   THR   CA   2kwq_ambr001   17   THR   C   parsed_2kwq   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     83.3    163.3   .   2kwq_ambr001   17   THR   N   2kwq_ambr001   17   THR   CA   2kwq_ambr001   17   THR   C    2kwq_ambr001   18   CYM   N   parsed_2kwq   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0    -80.0   .   2kwq_ambr001   22   LYS   C   2kwq_ambr001   23   TYR   N    2kwq_ambr001   23   TYR   CA   2kwq_ambr001   23   TYR   C   parsed_2kwq   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.0    175.0   .   2kwq_ambr001   23   TYR   N   2kwq_ambr001   23   TYR   CA   2kwq_ambr001   23   TYR   C    2kwq_ambr001   24   THR   N   parsed_2kwq   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.6    -74.6   .   2kwq_ambr001   23   TYR   C   2kwq_ambr001   24   THR   N    2kwq_ambr001   24   THR   CA   2kwq_ambr001   24   THR   C   parsed_2kwq   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     75.4    155.4   .   2kwq_ambr001   24   THR   N   2kwq_ambr001   24   THR   CA   2kwq_ambr001   24   THR   C    2kwq_ambr001   25   HID   N   parsed_2kwq   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.6    -77.6   .   2kwq_ambr001   24   THR   C   2kwq_ambr001   25   HID   N    2kwq_ambr001   25   HID   CA   2kwq_ambr001   25   HID   C   parsed_2kwq   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    122.4    202.4   .   2kwq_ambr001   25   HID   N   2kwq_ambr001   25   HID   CA   2kwq_ambr001   25   HID   C    2kwq_ambr001   26   PHE   N   parsed_2kwq   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.9    -29.9   .   2kwq_ambr001   25   HID   C   2kwq_ambr001   26   PHE   N    2kwq_ambr001   26   PHE   CA   2kwq_ambr001   26   PHE   C   parsed_2kwq   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -57.7     22.3   .   2kwq_ambr001   26   PHE   N   2kwq_ambr001   26   PHE   CA   2kwq_ambr001   26   PHE   C    2kwq_ambr001   27   LYS   N   parsed_2kwq   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -97.7    -17.7   .   2kwq_ambr001   29   LYS   C   2kwq_ambr001   30   GLU   N    2kwq_ambr001   30   GLU   CA   2kwq_ambr001   30   GLU   C   parsed_2kwq   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.8      8.1   .   2kwq_ambr001   30   GLU   N   2kwq_ambr001   30   GLU   CA   2kwq_ambr001   30   GLU   C    2kwq_ambr001   31   THR   N   parsed_2kwq   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.3    -30.3   .   2kwq_ambr001   30   GLU   C   2kwq_ambr001   31   THR   N    2kwq_ambr001   31   THR   CA   2kwq_ambr001   31   THR   C   parsed_2kwq   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52.4     27.6   .   2kwq_ambr001   31   THR   N   2kwq_ambr001   31   THR   CA   2kwq_ambr001   31   THR   C    2kwq_ambr001   32   CYM   N   parsed_2kwq   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -104.8    -24.8   .   2kwq_ambr001   32   CYM   C   2kwq_ambr001   33   VAL   N    2kwq_ambr001   33   VAL   CA   2kwq_ambr001   33   VAL   C   parsed_2kwq   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.2      9.8   .   2kwq_ambr001   33   VAL   N   2kwq_ambr001   33   VAL   CA   2kwq_ambr001   33   VAL   C    2kwq_ambr001   34   SER   N   parsed_2kwq   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -109.0    -29.0   .   2kwq_ambr001   33   VAL   C   2kwq_ambr001   34   SER   N    2kwq_ambr001   34   SER   CA   2kwq_ambr001   34   SER   C   parsed_2kwq   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.0     10.0   .   2kwq_ambr001   34   SER   N   2kwq_ambr001   34   SER   CA   2kwq_ambr001   34   SER   C    2kwq_ambr001   35   GLU   N   parsed_2kwq   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.4    -45.5   .   2kwq_ambr001   34   SER   C   2kwq_ambr001   35   GLU   N    2kwq_ambr001   35   GLU   CA   2kwq_ambr001   35   GLU   C   parsed_2kwq   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.5     34.5   .   2kwq_ambr001   35   GLU   N   2kwq_ambr001   35   GLU   CA   2kwq_ambr001   35   GLU   C    2kwq_ambr001   36   ASN   N   parsed_2kwq   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     15.9     95.9   .   2kwq_ambr001   35   GLU   C   2kwq_ambr001   36   ASN   N    2kwq_ambr001   36   ASN   CA   2kwq_ambr001   36   ASN   C   parsed_2kwq   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .      2.4     82.4   .   2kwq_ambr001   36   ASN   N   2kwq_ambr001   36   ASN   CA   2kwq_ambr001   36   ASN   C    2kwq_ambr001   37   HIZ   N   parsed_2kwq   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.4    -66.4   .   2kwq_ambr001   39   PHE   C   2kwq_ambr001   40   HID   N    2kwq_ambr001   40   HID   CA   2kwq_ambr001   40   HID   C   parsed_2kwq   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     83.1    163.1   .   2kwq_ambr001   40   HID   N   2kwq_ambr001   40   HID   CA   2kwq_ambr001   40   HID   C    2kwq_ambr001   41   TRP   N   parsed_2kwq   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.3    -60.3   .   2kwq_ambr001   40   HID   C   2kwq_ambr001   41   TRP   N    2kwq_ambr001   41   TRP   CA   2kwq_ambr001   41   TRP   C   parsed_2kwq   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     93.0    173.0   .   2kwq_ambr001   41   TRP   N   2kwq_ambr001   41   TRP   CA   2kwq_ambr001   41   TRP   C    2kwq_ambr001   42   HID   N   parsed_2kwq   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0    -80.0   .   2kwq_ambr001   42   HID   C   2kwq_ambr001   43   ASN   N    2kwq_ambr001   43   ASN   CA   2kwq_ambr001   43   ASN   C   parsed_2kwq   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.0    175.0   .   2kwq_ambr001   43   ASN   N   2kwq_ambr001   43   ASN   CA   2kwq_ambr001   43   ASN   C    2kwq_ambr001   44   GLY   N   parsed_2kwq   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -172.8    -92.8   .   2kwq_ambr001   41   TRP   C   2kwq_ambr001   42   HID   N    2kwq_ambr001   42   HID   CA   2kwq_ambr001   42   HID   C   parsed_2kwq   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.1    192.1   .   2kwq_ambr001   42   HID   N   2kwq_ambr001   42   HID   CA   2kwq_ambr001   42   HID   C    2kwq_ambr001   43   ASN   N   parsed_2kwq   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.0    -83.0   .   2kwq_ambr001   46   LYS   C   2kwq_ambr001   47   ARG   N    2kwq_ambr001   47   ARG   CA   2kwq_ambr001   47   ARG   C   parsed_2kwq   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.2    188.1   .   2kwq_ambr001   47   ARG   N   2kwq_ambr001   47   ARG   CA   2kwq_ambr001   47   ARG   C    2kwq_ambr001   48   PHE   N   parsed_2kwq   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -177.0    -97.0   .   2kwq_ambr001   48   PHE   C   2kwq_ambr001   49   PHE   N    2kwq_ambr001   49   PHE   CA   2kwq_ambr001   49   PHE   C   parsed_2kwq   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    118.5    198.5   .   2kwq_ambr001   49   PHE   N   2kwq_ambr001   49   PHE   CA   2kwq_ambr001   49   PHE   C    2kwq_ambr001   50   LYS   N   parsed_2kwq   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.6    -73.6   .   2kwq_ambr001   49   PHE   C   2kwq_ambr001   50   LYS   N    2kwq_ambr001   50   LYS   CA   2kwq_ambr001   50   LYS   C   parsed_2kwq   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     76.7    156.7   .   2kwq_ambr001   50   LYS   N   2kwq_ambr001   50   LYS   CA   2kwq_ambr001   50   LYS   C    2kwq_ambr001   51   CYZ   N   parsed_2kwq   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162.7    -82.7   .   2kwq_ambr001   55   ASN   C   2kwq_ambr001   56   ARG   N    2kwq_ambr001   56   ARG   CA   2kwq_ambr001   56   ARG   C   parsed_2kwq   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.8    189.8   .   2kwq_ambr001   56   ARG   N   2kwq_ambr001   56   ARG   CA   2kwq_ambr001   56   ARG   C    2kwq_ambr001   57   THR   N   parsed_2kwq   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -172.9    -92.8   .   2kwq_ambr001   56   ARG   C   2kwq_ambr001   57   THR   N    2kwq_ambr001   57   THR   CA   2kwq_ambr001   57   THR   C   parsed_2kwq   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.7    187.7   .   2kwq_ambr001   57   THR   N   2kwq_ambr001   57   THR   CA   2kwq_ambr001   57   THR   C    2kwq_ambr001   58   ILE   N   parsed_2kwq   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159.2    -79.2   .   2kwq_ambr001   57   THR   C   2kwq_ambr001   58   ILE   N    2kwq_ambr001   58   ILE   CA   2kwq_ambr001   58   ILE   C   parsed_2kwq   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.4    192.4   .   2kwq_ambr001   58   ILE   N   2kwq_ambr001   58   ILE   CA   2kwq_ambr001   58   ILE   C    2kwq_ambr001   59   SER   N   parsed_2kwq   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.0    -66.0   .   2kwq_ambr001   76   TRP   C   2kwq_ambr001   77   GLU   N    2kwq_ambr001   77   GLU   CA   2kwq_ambr001   77   GLU   C   parsed_2kwq   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89.0    169.0   .   2kwq_ambr001   77   GLU   N   2kwq_ambr001   77   GLU   CA   2kwq_ambr001   77   GLU   C    2kwq_ambr001   78   ARG   N   parsed_2kwq   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.0    -48.0   .   2kwq_ambr001   77   GLU   C   2kwq_ambr001   78   ARG   N    2kwq_ambr001   78   ARG   CA   2kwq_ambr001   78   ARG   C   parsed_2kwq   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     76.0    156.0   .   2kwq_ambr001   78   ARG   N   2kwq_ambr001   78   ARG   CA   2kwq_ambr001   78   ARG   C    2kwq_ambr001   79   VAL   N   parsed_2kwq   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   
;
1473 atoms read from pdb file d20_001.amb.pdb.
12 SER PHI:  (11 GLN C)-(12 SER N)-(12 SER CA)-(12 SER C) -135.4 -55.5
;
     1   1     2   73   parsed_2kwq   1   
         2   "12 SER PSI:  (12 SER N)-(12 SER CA)-(12 SER C)-(13 CYS N)  84.4 164.4"        7   1     7   72   parsed_2kwq   1   
         3   "13 CYS PHI:  (12 SER C)-(13 CYS N)-(13 CYS CA)-(13 CYS C) -186.1 -106.2"     12   1    12   74   parsed_2kwq   1   
         4   "13 CYS PSI:  (13 CYS N)-(13 CYS CA)-(13 CYS C)-(14 ARG N) 114.1 194.1"       17   1    17   72   parsed_2kwq   1   
         5   "14 ARG PHI:  (13 CYS C)-(14 ARG N)-(14 ARG CA)-(14 ARG C) -160.0 -80.0"      22   1    22   73   parsed_2kwq   1   
         6   "14 ARG PSI:  (14 ARG N)-(14 ARG CA)-(14 ARG C)-(15 VAL N)  95.0 175.0"       27   1    27   72   parsed_2kwq   1   
         7   "15 VAL PHI:  (14 ARG C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -160.2 -80.2"      32   1    32   73   parsed_2kwq   1   
         8   "15 VAL PSI:  (15 VAL N)-(15 VAL CA)-(15 VAL C)-(16 VAL N) 117.1 197.1"       37   1    37   72   parsed_2kwq   1   
         9   "16 VAL PHI:  (15 VAL C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -163.8 -83.8"      42   1    42   73   parsed_2kwq   1   
        10   "16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 THR N)  89.4 169.4"       47   1    47   72   parsed_2kwq   1   
        11   "17 THR PHI:  (16 VAL C)-(17 THR N)-(17 THR CA)-(17 THR C) -150.4 -70.4"      52   1    52   73   parsed_2kwq   1   
        12   "17 THR PSI:  (17 THR N)-(17 THR CA)-(17 THR C)-(18 CYM N)  83.3 163.3"       57   1    57   72   parsed_2kwq   1   
        13   "23 TYR PHI:  (22 LYS C)-(23 TYR N)-(23 TYR CA)-(23 TYR C) -160.0 -80.0"      62   1    62   73   parsed_2kwq   1   
        14   "23 TYR PSI:  (23 TYR N)-(23 TYR CA)-(23 TYR C)-(24 THR N)  95.0 175.0"       67   1    67   72   parsed_2kwq   1   
        15   "24 THR PHI:  (23 TYR C)-(24 THR N)-(24 THR CA)-(24 THR C) -154.6 -74.6"      72   1    72   73   parsed_2kwq   1   
        16   "24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 HID N)  75.4 155.4"       77   1    77   72   parsed_2kwq   1   
        17   "25 HIS PHI:  (24 THR C)-(25 HID N)-(25 HID CA)-(25 HID C) -157.6 -77.6"      82   1    82   73   parsed_2kwq   1   
        18   "25 HIS PSI:  (25 HID N)-(25 HID CA)-(25 HID C)-(26 PHE N) 122.4 202.4"       87   1    87   72   parsed_2kwq   1   
        19   "26 PHE PHI:  (25 HID C)-(26 PHE N)-(26 PHE CA)-(26 PHE C) -109.9 -29.9"      92   1    92   73   parsed_2kwq   1   
        20   "26 PHE PSI:  (26 PHE N)-(26 PHE CA)-(26 PHE C)-(27 LYS N) -57.7  22.3"       97   1    97   72   parsed_2kwq   1   
        21   "30 GLU PHI:  (29 LYS C)-(30 GLU N)-(30 GLU CA)-(30 GLU C) -97.7 -17.7"      102   1   102   72   parsed_2kwq   1   
        22   "30 GLU PSI:  (30 GLU N)-(30 GLU CA)-(30 GLU C)-(31 THR N) -71.8   8.1"      107   1   107   72   parsed_2kwq   1   
        23   "31 THR PHI:  (30 GLU C)-(31 THR N)-(31 THR CA)-(31 THR C) -110.3 -30.3"     112   1   112   73   parsed_2kwq   1   
        24   "31 THR PSI:  (31 THR N)-(31 THR CA)-(31 THR C)-(32 CYM N) -52.4  27.6"      117   1   117   72   parsed_2kwq   1   
        25   "33 VAL PHI:  (32 CYM C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -104.8 -24.8"     122   1   122   73   parsed_2kwq   1   
        26   "33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 SER N) -70.2   9.8"      127   1   127   72   parsed_2kwq   1   
        27   "34 SER PHI:  (33 VAL C)-(34 SER N)-(34 SER CA)-(34 SER C) -109.0 -29.0"     132   1   132   73   parsed_2kwq   1   
        28   "34 SER PSI:  (34 SER N)-(34 SER CA)-(34 SER C)-(35 GLU N) -70.0  10.0"      137   1   137   72   parsed_2kwq   1   
        29   "35 GLU PHI:  (34 SER C)-(35 GLU N)-(35 GLU CA)-(35 GLU C) -125.4 -45.5"     142   1   142   73   parsed_2kwq   1   
        30   "35 GLU PSI:  (35 GLU N)-(35 GLU CA)-(35 GLU C)-(36 ASN N) -45.5  34.5"      147   1   147   72   parsed_2kwq   1   
        31   "36 ASN PHI:  (35 GLU C)-(36 ASN N)-(36 ASN CA)-(36 ASN C)  15.9  95.9"      152   1   152   72   parsed_2kwq   1   
        32   "36 ASN PSI:  (36 ASN N)-(36 ASN CA)-(36 ASN C)-(37 HIZ N)   2.4  82.4"      157   1   157   72   parsed_2kwq   1   
        33   "40 HIS PHI:  (39 PHE C)-(40 HID N)-(40 HID CA)-(40 HID C) -146.4 -66.4"     162   1   162   73   parsed_2kwq   1   
        34   "40 HIS PSI:  (40 HID N)-(40 HID CA)-(40 HID C)-(41 TRP N)  83.1 163.1"      167   1   167   72   parsed_2kwq   1   
        35   "41 TRP PHI:  (40 HID C)-(41 TRP N)-(41 TRP CA)-(41 TRP C) -140.3 -60.3"     172   1   172   73   parsed_2kwq   1   
        36   "41 TRP PSI:  (41 TRP N)-(41 TRP CA)-(41 TRP C)-(42 HID N)  93.0 173.0"      177   1   177   72   parsed_2kwq   1   
        37   "43 ASN PHI:  (42 HID C)-(43 ASN N)-(43 ASN CA)-(43 ASN C) -160.0 -80.0"     182   1   182   73   parsed_2kwq   1   
        38   "43 ASN PSI:  (43 ASN N)-(43 ASN CA)-(43 ASN C)-(44 GLY N)  95.0 175.0"      187   1   187   72   parsed_2kwq   1   
        39   "42 HIS PHI:  (41 TRP C)-(42 HID N)-(42 HID CA)-(42 HID C) -172.8 -92.8"     192   1   192   73   parsed_2kwq   1   
        40   "42 HIS PSI:  (42 HID N)-(42 HID CA)-(42 HID C)-(43 ASN N) 112.1 192.1"      197   1   197   72   parsed_2kwq   1   
        41   "47 ARG PHI:  (46 LYS C)-(47 ARG N)-(47 ARG CA)-(47 ARG C) -163.0 -83.0"     202   1   202   73   parsed_2kwq   1   
        42   "47 ARG PSI:  (47 ARG N)-(47 ARG CA)-(47 ARG C)-(48 PHE N) 108.2 188.1"      207   1   207   72   parsed_2kwq   1   
        43   "49 PHE PHI:  (48 PHE C)-(49 PHE N)-(49 PHE CA)-(49 PHE C) -177.0 -97.0"     212   1   212   73   parsed_2kwq   1   
        44   "49 PHE PSI:  (49 PHE N)-(49 PHE CA)-(49 PHE C)-(50 LYS N) 118.5 198.5"      217   1   217   72   parsed_2kwq   1   
        45   "50 LYS PHI:  (49 PHE C)-(50 LYS N)-(50 LYS CA)-(50 LYS C) -153.6 -73.6"     222   1   222   73   parsed_2kwq   1   
        46   "50 LYS PSI:  (50 LYS N)-(50 LYS CA)-(50 LYS C)-(51 CYZ N)  76.7 156.7"      227   1   227   72   parsed_2kwq   1   
        47   "56 ARG PHI:  (55 ASN C)-(56 ARG N)-(56 ARG CA)-(56 ARG C) -162.7 -82.7"     232   1   232   73   parsed_2kwq   1   
        48   "56 ARG PSI:  (56 ARG N)-(56 ARG CA)-(56 ARG C)-(57 THR N) 109.8 189.8"      237   1   237   72   parsed_2kwq   1   
        49   "57 THR PHI:  (56 ARG C)-(57 THR N)-(57 THR CA)-(57 THR C) -172.9 -92.8"     242   1   242   73   parsed_2kwq   1   
        50   "57 THR PSI:  (57 THR N)-(57 THR CA)-(57 THR C)-(58 ILE N) 107.7 187.7"      247   1   247   72   parsed_2kwq   1   
        51   "58 ILE PHI:  (57 THR C)-(58 ILE N)-(58 ILE CA)-(58 ILE C) -159.2 -79.2"     252   1   252   73   parsed_2kwq   1   
        52   "58 ILE PSI:  (58 ILE N)-(58 ILE CA)-(58 ILE C)-(59 SER N) 112.4 192.4"      257   1   257   72   parsed_2kwq   1   
        53   "77 GLU PHI:  (76 TRP C)-(77 GLU N)-(77 GLU CA)-(77 GLU C) -146.0 -66.0"     262   1   262   73   parsed_2kwq   1   
        54   "77 GLU PSI:  (77 GLU N)-(77 GLU CA)-(77 GLU C)-(78 ARG N)  89.0 169.0"      267   1   267   72   parsed_2kwq   1   
        55   "78 ARG PHI:  (77 GLU C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -128.0 -48.0"     272   1   272   73   parsed_2kwq   1   
        56   "78 ARG PSI:  (78 ARG N)-(78 ARG CA)-(78 ARG C)-(79 VAL N)  76.0 156.0"      277   1   277   72   parsed_2kwq   1   
    stop_

save_





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