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
648749 6sft cing 2-parsed STAR dihedral angle 47


data_6sft_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6sft 
    _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_6sft   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6sft 
    _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   6sft   "Master copy"    parsed_6sft   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6sft 
    _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   6sft.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_6sft   1   
        1   6sft.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             736   parsed_6sft   1   
        1   6sft.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              28   parsed_6sft   1   
        1   6sft.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     47   parsed_6sft   1   
        1   6sft.mr   .   .    XPLOR/CNS     5    distance                  NOE                 simple               0   parsed_6sft   1   
        1   6sft.mr   .   .    XPLOR/CNS     6    distance                 "hydrogen bond"      simple               0   parsed_6sft   1   
        1   6sft.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_6sft   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_6sft 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.1    -86.5   .   .   143   .   c   .   144   .   n    .   144   .   ca   .   144   .   c   parsed_6sft   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     88.1    140.7   .   .   144   .   n   .   144   .   ca   .   144   .   c    .   145   .   n   parsed_6sft   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.8    -92.2   .   .   144   .   c   .   145   .   n    .   145   .   ca   .   145   .   c   parsed_6sft   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.4    141.2   .   .   145   .   n   .   145   .   ca   .   145   .   c    .   146   .   n   parsed_6sft   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -116.0    -90.8   .   .   145   .   c   .   146   .   n    .   146   .   ca   .   146   .   c   parsed_6sft   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106.3    134.5   .   .   146   .   n   .   146   .   ca   .   146   .   c    .   147   .   n   parsed_6sft   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74.2    -57.8   .   .   147   .   c   .   148   .   n    .   148   .   ca   .   148   .   c   parsed_6sft   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -40.0     -9.8   .   .   148   .   n   .   148   .   ca   .   148   .   c    .   149   .   n   parsed_6sft   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -108.5    -82.5   .   .   148   .   c   .   149   .   n    .   149   .   ca   .   149   .   c   parsed_6sft   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -22.9     26.1   .   .   149   .   n   .   149   .   ca   .   149   .   c    .   150   .   n   parsed_6sft   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.0    -59.6   .   .   149   .   c   .   150   .   n    .   150   .   ca   .   150   .   c   parsed_6sft   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117.1    153.1   .   .   150   .   n   .   150   .   ca   .   150   .   c    .   151   .   n   parsed_6sft   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.7   -105.1   .   .   150   .   c   .   151   .   n    .   151   .   ca   .   151   .   c   parsed_6sft   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.7    175.3   .   .   151   .   n   .   151   .   ca   .   151   .   c    .   152   .   n   parsed_6sft   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.4    -60.2   .   .   152   .   c   .   153   .   n    .   153   .   ca   .   153   .   c   parsed_6sft   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.1    161.5   .   .   153   .   n   .   153   .   ca   .   153   .   c    .   154   .   n   parsed_6sft   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.8    -65.0   .   .   153   .   c   .   154   .   n    .   154   .   ca   .   154   .   c   parsed_6sft   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.2    131.4   .   .   154   .   n   .   154   .   ca   .   154   .   c    .   155   .   n   parsed_6sft   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.1    -62.5   .   .   154   .   c   .   155   .   n    .   155   .   ca   .   155   .   c   parsed_6sft   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51.3     -1.7   .   .   155   .   n   .   155   .   ca   .   155   .   c    .   156   .   n   parsed_6sft   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.7    -74.7   .   .   155   .   c   .   156   .   n    .   156   .   ca   .   156   .   c   parsed_6sft   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.3    172.1   .   .   156   .   n   .   156   .   ca   .   156   .   c    .   157   .   n   parsed_6sft   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -154.6    -47.4   .   .   156   .   c   .   157   .   n    .   157   .   ca   .   157   .   c   parsed_6sft   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -111.7    -76.9   .   .   157   .   c   .   158   .   n    .   158   .   ca   .   158   .   c   parsed_6sft   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    108.7    147.5   .   .   158   .   n   .   158   .   ca   .   158   .   c    .   159   .   n   parsed_6sft   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -106.9    -78.7   .   .   159   .   c   .   160   .   n    .   160   .   ca   .   160   .   c   parsed_6sft   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.9    161.7   .   .   160   .   n   .   160   .   ca   .   160   .   c    .   161   .   n   parsed_6sft   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.3    -57.5   .   .   160   .   c   .   161   .   n    .   161   .   ca   .   161   .   c   parsed_6sft   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -38.4    -14.4   .   .   161   .   n   .   161   .   ca   .   161   .   c    .   162   .   n   parsed_6sft   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -120.2    -80.4   .   .   161   .   c   .   162   .   n    .   162   .   ca   .   162   .   c   parsed_6sft   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -99.2    -63.2   .   .   162   .   c   .   163   .   n    .   163   .   ca   .   163   .   c   parsed_6sft   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -103.5    -84.7   .   .   163   .   c   .   164   .   n    .   164   .   ca   .   164   .   c   parsed_6sft   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.9    137.5   .   .   164   .   n   .   164   .   ca   .   164   .   c    .   165   .   n   parsed_6sft   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.8    -56.0   .   .   165   .   c   .   166   .   n    .   166   .   ca   .   166   .   c   parsed_6sft   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132.7    158.5   .   .   166   .   n   .   166   .   ca   .   166   .   c    .   167   .   n   parsed_6sft   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.8    -79.2   .   .   166   .   c   .   167   .   n    .   167   .   ca   .   167   .   c   parsed_6sft   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114.0    140.6   .   .   167   .   n   .   167   .   ca   .   167   .   c    .   168   .   n   parsed_6sft   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.3    -62.5   .   .   168   .   c   .   169   .   n    .   169   .   ca   .   169   .   c   parsed_6sft   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     96.8    149.4   .   .   169   .   n   .   169   .   ca   .   169   .   c    .   170   .   n   parsed_6sft   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.5    -55.5   .   .   169   .   c   .   170   .   n    .   170   .   ca   .   170   .   c   parsed_6sft   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47.7    -10.3   .   .   170   .   n   .   170   .   ca   .   170   .   c    .   171   .   n   parsed_6sft   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.5    -60.5   .   .   170   .   c   .   171   .   n    .   171   .   ca   .   171   .   c   parsed_6sft   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -33.1     -4.3   .   .   171   .   n   .   171   .   ca   .   171   .   c    .   172   .   n   parsed_6sft   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -107.0    -76.2   .   .   171   .   c   .   172   .   n    .   172   .   ca   .   172   .   c   parsed_6sft   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -36.3      0.7   .   .   172   .   n   .   172   .   ca   .   172   .   c    .   173   .   n   parsed_6sft   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.4    -57.0   .   .   172   .   c   .   173   .   n    .   173   .   ca   .   173   .   c   parsed_6sft   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     84.9    155.9   .   .   173   .   n   .   173   .   ca   .   173   .   c    .   174   .   n   parsed_6sft   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "# Restraints file 3: D_1292103582_mr_P2.xplor-nih.V1"    1   1   1   52   parsed_6sft   1   
    stop_

save_





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