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
29045 1ag7 cing 2-parsed STAR dihedral angle 25


data_1ag7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ag7 
    _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_1ag7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ag7 
    _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   1ag7   "Master copy"    parsed_1ag7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ag7 
    _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   1ag7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1ag7   1   
        1   1ag7.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             485   parsed_1ag7   1   
        1   1ag7.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              18   parsed_1ag7   1   
        1   1ag7.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     25   parsed_1ag7   1   
        1   1ag7.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"      0   parsed_1ag7   1   
        1   1ag7.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1ag7   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1ag7 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    6   .   C   .    7   .   N    .    7   .   CA   .    7   .   C    parsed_1ag7   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C    parsed_1ag7   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   16   .   C   .   17   .   N    .   17   .   CA   .   17   .   C    parsed_1ag7   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   17   .   C   .   18   .   N    .   18   .   CA   .   18   .   C    parsed_1ag7   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   22   .   C   .   23   .   N    .   23   .   CA   .   23   .   C    parsed_1ag7   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   25   .   C   .   26   .   N    .   26   .   CA   .   26   .   C    parsed_1ag7   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   27   .   C   .   28   .   N    .   28   .   CA   .   28   .   C    parsed_1ag7   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   30   .   C   .   31   .   N    .   31   .   CA   .   31   .   C    parsed_1ag7   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.0   -80.0   .   .   33   .   C   .   34   .   N    .   34   .   CA   .   34   .   C    parsed_1ag7   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .    4   .   C   .    5   .   N    .    5   .   CA   .    5   .   C    parsed_1ag7   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .    7   .   C   .    8   .   N    .    8   .   CA   .    8   .   C    parsed_1ag7   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C    parsed_1ag7   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C    parsed_1ag7   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   13   .   C   .   14   .   N    .   14   .   CA   .   14   .   C    parsed_1ag7   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C    parsed_1ag7   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   26   .   C   .   27   .   N    .   27   .   CA   .   27   .   C    parsed_1ag7   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -40.0   .   .   29   .   C   .   30   .   N    .   30   .   CA   .   30   .   C    parsed_1ag7   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0    90.0   .   .    2   .   N   .    2   .   CA   .    2   .   CB   .    2   .   SG   parsed_1ag7   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0    90.0   .   .    9   .   N   .    9   .   CA   .    9   .   CB   .    9   .   SG   parsed_1ag7   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   13   .   N   .   13   .   CA   .   13   .   CB   .   13   .   SG   parsed_1ag7   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   14   .   N   .   14   .   CA   .   14   .   CB   .   14   .   SG   parsed_1ag7   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   17   .   N   .   17   .   CA   .   17   .   CB   .   17   .   CG   parsed_1ag7   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   19   .   N   .   19   .   CA   .   19   .   CB   .   19   .   SG   parsed_1ag7   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0   -30.0   .   .   27   .   N   .   27   .   CA   .   27   .   CB   .   27   .   SG   parsed_1ag7   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0   210.0   .   .   32   .   N   .   32   .   CA   .   32   .   CB   .   32   .   CG   parsed_1ag7   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
phi angles
7
;
      1   1    3   8   parsed_1ag7   1   
         2     9    6   1    6   8   parsed_1ag7   1   
         3    17    9   1    9   8   parsed_1ag7   1   
         4    18   12   1   12   9   parsed_1ag7   1   
         5    23   15   1   15   9   parsed_1ag7   1   
         6    26   18   1   18   9   parsed_1ag7   1   
         7    28   21   1   21   9   parsed_1ag7   1   
         8    31   24   1   24   9   parsed_1ag7   1   
         9    34   27   1   27   9   parsed_1ag7   1   
        10     5   31   1   31   5   parsed_1ag7   1   
        11     8   34   1   34   5   parsed_1ag7   1   
        12    12   37   1   37   6   parsed_1ag7   1   
        13    13   40   1   40   6   parsed_1ag7   1   
        14    14   43   1   43   6   parsed_1ag7   1   
        15    15   46   1   46   6   parsed_1ag7   1   
        16    27   49   1   49   6   parsed_1ag7   1   
        17    30   52   1   52   6   parsed_1ag7   1   
        18   
;
chi angles
2
;
     56   1   57   5   parsed_1ag7   1   
        19     9   60   1   60   5   parsed_1ag7   1   
        20    13   63   1   63   6   parsed_1ag7   1   
        21    14   66   1   66   6   parsed_1ag7   1   
        22    17   69   1   69   6   parsed_1ag7   1   
        23    19   72   1   72   6   parsed_1ag7   1   
        24    27   75   1   75   6   parsed_1ag7   1   
        25    32   78   1   78   6   parsed_1ag7   1   
    stop_

save_





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