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
43375 2ap7 6774 cing 2-parsed STAR dihedral angle 30


data_2ap7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ap7 
    _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_2ap7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ap7 
    _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   2ap7   "Master copy"    parsed_2ap7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ap7 
    _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   2ap7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2ap7   1   
        1   2ap7.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             220   parsed_2ap7   1   
        1   2ap7.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     30   parsed_2ap7   1   
        1   2ap7.mr   .   .    unknown       4   "chemical shift"          "Not applicable"    "Not applicable"      0   parsed_2ap7   1   
        1   2ap7.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2ap7   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ap7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -82.00   -54.00   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C   parsed_2ap7   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -55.00   -27.00   .   .    5   .   N   .    5   .   CA   .    5   .   C    .    6   .   N   parsed_2ap7   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -86.00   -46.00   .   .    5   .   C   .    6   .   N    .    6   .   CA   .    6   .   C   parsed_2ap7   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -49.00   -29.00   .   .    6   .   N   .    6   .   CA   .    6   .   C    .    7   .   N   parsed_2ap7   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -79.00   -51.00   .   .    6   .   C   .    7   .   N    .    7   .   CA   .    7   .   C   parsed_2ap7   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -56.00   -24.00   .   .    7   .   N   .    7   .   CA   .    7   .   C    .    8   .   N   parsed_2ap7   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -77.00   -57.00   .   .    7   .   C   .    8   .   N    .    8   .   CA   .    8   .   C   parsed_2ap7   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -48.00   -24.00   .   .    8   .   N   .    8   .   CA   .    8   .   C    .    9   .   N   parsed_2ap7   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.00   -55.00   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C   parsed_2ap7   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -51.00   -31.00   .   .    9   .   N   .    9   .   CA   .    9   .   C    .   10   .   N   parsed_2ap7   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -76.00   -56.00   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C   parsed_2ap7   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -50.00   -26.00   .   .   10   .   N   .   10   .   CA   .   10   .   C    .   11   .   N   parsed_2ap7   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -88.00   -48.00   .   .   10   .   C   .   11   .   N    .   11   .   CA   .   11   .   C   parsed_2ap7   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -54.00   -26.00   .   .   11   .   N   .   11   .   CA   .   11   .   C    .   12   .   N   parsed_2ap7   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -81.00   -49.00   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C   parsed_2ap7   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -68.00    -8.00   .   .   12   .   N   .   12   .   CA   .   12   .   C    .   13   .   N   parsed_2ap7   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -73.00   -53.00   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C   parsed_2ap7   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -49.00   -29.00   .   .   13   .   N   .   13   .   CA   .   13   .   C    .   14   .   N   parsed_2ap7   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -88.00   -52.00   .   .   13   .   C   .   14   .   N    .   14   .   CA   .   14   .   C   parsed_2ap7   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -54.00   -22.00   .   .   14   .   N   .   14   .   CA   .   14   .   C    .   15   .   N   parsed_2ap7   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -76.00   -56.00   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C   parsed_2ap7   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -60.00   -12.00   .   .   15   .   N   .   15   .   CA   .   15   .   C    .   16   .   N   parsed_2ap7   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -75.69   -55.69   .   .   15   .   C   .   16   .   N    .   16   .   CA   .   16   .   C   parsed_2ap7   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -55.08   -15.56   .   .   16   .   N   .   16   .   CA   .   16   .   C    .   17   .   N   parsed_2ap7   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -74.00   -54.00   .   .   16   .   C   .   17   .   N    .   17   .   CA   .   17   .   C   parsed_2ap7   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -56.00   -24.00   .   .   17   .   N   .   17   .   CA   .   17   .   C    .   18   .   N   parsed_2ap7   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -84.00   -56.00   .   .   17   .   C   .   18   .   N    .   18   .   CA   .   18   .   C   parsed_2ap7   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -61.00    -5.00   .   .   18   .   N   .   18   .   CA   .   18   .   C    .   19   .   N   parsed_2ap7   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0    -30.0    .   .   18   .   c   .   19   .   n    .   19   .   ca   .   19   .   c   parsed_2ap7   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -90.0    -30.0    .   .   19   .   c   .   20   .   n    .   20   .   ca   .   20   .   c   parsed_2ap7   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   
;
dihedral angle restraints:
V 5   Phi Psi
;
    1   1    2   16   parsed_2ap7   1   
         2   "L 6   Phi Psi"          7   1    7   16   parsed_2ap7   1   
         3   "G 7   Phi Psi"         12   1   12   16   parsed_2ap7   1   
         4   "L 8   Phi Psi"         17   1   17   16   parsed_2ap7   1   
         5   "V 9   Phi Psi"         22   1   22   16   parsed_2ap7   1   
         6   "G 10  Phi Psi"         27   1   27   16   parsed_2ap7   1   
         7   "S 11  Phi Psi"         32   1   32   16   parsed_2ap7   1   
         8   "A 12  Phi Psi"         37   1   37   16   parsed_2ap7   1   
         9   "L 13  Phi Psi"         42   1   42   16   parsed_2ap7   1   
        10   "G 14  Phi Psi"         47   1   47   16   parsed_2ap7   1   
        11   "G 15  Phi Psi"         52   1   52   16   parsed_2ap7   1   
        12   "L 16  Phi Psi"         57   1   57   16   parsed_2ap7   1   
        13   "L 17  Phi Psi"         62   1   62   16   parsed_2ap7   1   
        14   "K 18  Phi Psi"         67   1   67   16   parsed_2ap7   1   
        15   "from couplings Phi"    72   1   72   21   parsed_2ap7   1   
    stop_

save_





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