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 subtype subsubtype item_count
585590 2mj0 19700 cing 2-parsed STAR distance NOE simple 45


data_2mj0_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mj0 
    _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_2mj0   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mj0 
    _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   2mj0   "Master copy"    parsed_2mj0   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mj0 
    _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   2mj0.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   2    distance                  NOE                   simple             475   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"        simple              40   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple              15   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   5    distance                  NOE                   simple              45   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   6    distance                 "hydrogen bond"        simple               0   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   7    distance                 "general distance"     simple               0   parsed_2mj0   1   
        1   2mj0.mr   .   .    DYANA/DIANA   8   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_2mj0   1   
        1   2mj0.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2mj0   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mj0 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_2mj0   1   
         2   1   .   .   .   parsed_2mj0   1   
         3   1   .   .   .   parsed_2mj0   1   
         4   1   .   .   .   parsed_2mj0   1   
         5   1   .   .   .   parsed_2mj0   1   
         6   1   .   .   .   parsed_2mj0   1   
         7   1   .   .   .   parsed_2mj0   1   
         8   1   .   .   .   parsed_2mj0   1   
         9   1   .   .   .   parsed_2mj0   1   
        10   1   .   .   .   parsed_2mj0   1   
        11   1   .   .   .   parsed_2mj0   1   
        12   1   .   .   .   parsed_2mj0   1   
        13   1   .   .   .   parsed_2mj0   1   
        14   1   .   .   .   parsed_2mj0   1   
        15   1   .   .   .   parsed_2mj0   1   
        16   1   .   .   .   parsed_2mj0   1   
        17   1   .   .   .   parsed_2mj0   1   
        18   1   .   .   .   parsed_2mj0   1   
        19   1   .   .   .   parsed_2mj0   1   
        20   1   .   .   .   parsed_2mj0   1   
        21   1   .   .   .   parsed_2mj0   1   
        22   1   .   .   .   parsed_2mj0   1   
        23   1   .   .   .   parsed_2mj0   1   
        24   1   .   .   .   parsed_2mj0   1   
        25   1   .   .   .   parsed_2mj0   1   
        26   1   .   .   .   parsed_2mj0   1   
        27   1   .   .   .   parsed_2mj0   1   
        28   1   .   .   .   parsed_2mj0   1   
        29   1   .   .   .   parsed_2mj0   1   
        30   1   .   .   .   parsed_2mj0   1   
        31   1   .   .   .   parsed_2mj0   1   
        32   1   .   .   .   parsed_2mj0   1   
        33   1   .   .   .   parsed_2mj0   1   
        34   1   .   .   .   parsed_2mj0   1   
        35   1   .   .   .   parsed_2mj0   1   
        36   1   .   .   .   parsed_2mj0   1   
        37   1   .   .   .   parsed_2mj0   1   
        38   1   .   .   .   parsed_2mj0   1   
        39   1   .   .   .   parsed_2mj0   1   
        40   1   .   .   .   parsed_2mj0   1   
        41   1   .   .   .   parsed_2mj0   1   
        42   1   .   .   .   parsed_2mj0   1   
        43   1   .   .   .   parsed_2mj0   1   
        44   1   .   .   .   parsed_2mj0   1   
        45   1   .   .   .   parsed_2mj0   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   .   101   LEU    H      parsed_2mj0   1   
         1   1   2   .   .   .   .   .   .   .   .   .   101   LEU    HG     parsed_2mj0   1   
         2   1   1   .   .   .   .   .   .   .   .   .   101   LEU    H      parsed_2mj0   1   
         2   1   2   .   .   .   .   .   .   .   .   .   101   LEU    HB3    parsed_2mj0   1   
         3   1   1   .   .   .   .   .   .   .   .   .   101   LEU    HG     parsed_2mj0   1   
         3   1   2   .   .   .   .   .   .   .   .   .   102   THR    H      parsed_2mj0   1   
         4   1   1   .   .   .   .   .   .   .   .   .   101   LEU    HB3    parsed_2mj0   1   
         4   1   2   .   .   .   .   .   .   .   .   .   102   THR    H      parsed_2mj0   1   
         5   1   1   .   .   .   .   .   .   .   .   .   104   LEU    H      parsed_2mj0   1   
         5   1   2   .   .   .   .   .   .   .   .   .   104   LEU    QB     parsed_2mj0   1   
         6   1   1   .   .   .   .   .   .   .   .   .   104   LEU    H      parsed_2mj0   1   
         6   1   2   .   .   .   .   .   .   .   .   .   104   LEU    HG     parsed_2mj0   1   
         7   1   1   .   .   .   .   .   .   .   .   .   104   LEU    QB     parsed_2mj0   1   
         7   1   2   .   .   .   .   .   .   .   .   .   106   CYSS   H      parsed_2mj0   1   
         8   1   1   .   .   .   .   .   .   .   .   .   104   LEU    HG     parsed_2mj0   1   
         8   1   2   .   .   .   .   .   .   .   .   .   106   CYSS   H      parsed_2mj0   1   
         9   1   1   .   .   .   .   .   .   .   .   .   105   ASN    H      parsed_2mj0   1   
         9   1   2   .   .   .   .   .   .   .   .   .   105   ASN    HA     parsed_2mj0   1   
        10   1   1   .   .   .   .   .   .   .   .   .   104   LEU    HA     parsed_2mj0   1   
        10   1   2   .   .   .   .   .   .   .   .   .   105   ASN    H      parsed_2mj0   1   
        11   1   1   .   .   .   .   .   .   .   .   .   104   LEU    QB     parsed_2mj0   1   
        11   1   2   .   .   .   .   .   .   .   .   .   105   ASN    H      parsed_2mj0   1   
        12   1   1   .   .   .   .   .   .   .   .   .   104   LEU    HG     parsed_2mj0   1   
        12   1   2   .   .   .   .   .   .   .   .   .   105   ASN    H      parsed_2mj0   1   
        13   1   1   .   .   .   .   .   .   .   .   .   109   MET    H      parsed_2mj0   1   
        13   1   2   .   .   .   .   .   .   .   .   .   109   MET    HB3    parsed_2mj0   1   
        14   1   1   .   .   .   .   .   .   .   .   .   108   GLU    HB2    parsed_2mj0   1   
        14   1   2   .   .   .   .   .   .   .   .   .   109   MET    H      parsed_2mj0   1   
        15   1   1   .   .   .   .   .   .   .   .   .   115   GLN    H      parsed_2mj0   1   
        15   1   2   .   .   .   .   .   .   .   .   .   115   GLN    HA     parsed_2mj0   1   
        16   1   1   .   .   .   .   .   .   .   .   .   104   LEU    HA     parsed_2mj0   1   
        16   1   2   .   .   .   .   .   .   .   .   .   115   GLN    H      parsed_2mj0   1   
        17   1   1   .   .   .   .   .   .   .   .   .   121   GLU    H      parsed_2mj0   1   
        17   1   2   .   .   .   .   .   .   .   .   .   121   GLU    HG2    parsed_2mj0   1   
        18   1   1   .   .   .   .   .   .   .   .   .   121   GLU    H      parsed_2mj0   1   
        18   1   2   .   .   .   .   .   .   .   .   .   121   GLU    HB2    parsed_2mj0   1   
        19   1   1   .   .   .   .   .   .   .   .   .   122   LYS    H      parsed_2mj0   1   
        19   1   2   .   .   .   .   .   .   .   .   .   122   LYS    HB2    parsed_2mj0   1   
        20   1   1   .   .   .   .   .   .   .   .   .   121   GLU    HB3    parsed_2mj0   1   
        20   1   2   .   .   .   .   .   .   .   .   .   122   LYS    H      parsed_2mj0   1   
        21   1   1   .   .   .   .   .   .   .   .   .   127   LYS    H      parsed_2mj0   1   
        21   1   2   .   .   .   .   .   .   .   .   .   127   LYS    QD     parsed_2mj0   1   
        22   1   1   .   .   .   .   .   .   .   .   .   126   LYS    HB2    parsed_2mj0   1   
        22   1   2   .   .   .   .   .   .   .   .   .   127   LYS    H      parsed_2mj0   1   
        23   1   1   .   .   .   .   .   .   .   .   .   128   LEU    H      parsed_2mj0   1   
        23   1   2   .   .   .   .   .   .   .   .   .   128   LEU    HG     parsed_2mj0   1   
        24   1   1   .   .   .   .   .   .   .   .   .   127   LYS    QG     parsed_2mj0   1   
        24   1   2   .   .   .   .   .   .   .   .   .   128   LEU    H      parsed_2mj0   1   
        25   1   1   .   .   .   .   .   .   .   .   .   131   ARG    HA     parsed_2mj0   1   
        25   1   2   .   .   .   .   .   .   .   .   .   132   ARG    H      parsed_2mj0   1   
        26   1   1   .   .   .   .   .   .   .   .   .   132   ARG    H      parsed_2mj0   1   
        26   1   2   .   .   .   .   .   .   .   .   .   132   ARG    HA     parsed_2mj0   1   
        27   1   1   .   .   .   .   .   .   .   .   .   154   MET    H      parsed_2mj0   1   
        27   1   2   .   .   .   .   .   .   .   .   .   154   MET    HB2    parsed_2mj0   1   
        28   1   1   .   .   .   .   .   .   .   .   .   153   GLU    QB     parsed_2mj0   1   
        28   1   2   .   .   .   .   .   .   .   .   .   154   MET    H      parsed_2mj0   1   
        29   1   1   .   .   .   .   .   .   .   .   .   155   ILE    H      parsed_2mj0   1   
        29   1   2   .   .   .   .   .   .   .   .   .   155   ILE    QG2    parsed_2mj0   1   
        30   1   1   .   .   .   .   .   .   .   .   .   155   ILE    H      parsed_2mj0   1   
        30   1   2   .   .   .   .   .   .   .   .   .   155   ILE    HG12   parsed_2mj0   1   
        31   1   1   .   .   .   .   .   .   .   .   .   154   MET    HB2    parsed_2mj0   1   
        31   1   2   .   .   .   .   .   .   .   .   .   155   ILE    H      parsed_2mj0   1   
        32   1   1   .   .   .   .   .   .   .   .   .   153   GLU    QB     parsed_2mj0   1   
        32   1   2   .   .   .   .   .   .   .   .   .   155   ILE    H      parsed_2mj0   1   
        33   1   1   .   .   .   .   .   .   .   .   .   119   ASN    HD21   parsed_2mj0   1   
        33   1   2   .   .   .   .   .   .   .   .   .   120   GLY    H      parsed_2mj0   1   
        34   1   1   .   .   .   .   .   .   .   .   .   121   GLU    HG2    parsed_2mj0   1   
        34   1   2   .   .   .   .   .   .   .   .   .   144   ASP    H      parsed_2mj0   1   
        35   1   1   .   .   .   .   .   .   .   .   .   119   ASN    HD22   parsed_2mj0   1   
        35   1   2   .   .   .   .   .   .   .   .   .   120   GLY    H      parsed_2mj0   1   
        36   1   1   .   .   .   .   .   .   .   .   .   104   LEU    H      parsed_2mj0   1   
        36   1   2   .   .   .   .   .   .   .   .   .   140   ARG    HB3    parsed_2mj0   1   
        37   1   1   .   .   .   .   .   .   .   .   .   150   LYS    HD2    parsed_2mj0   1   
        37   1   2   .   .   .   .   .   .   .   .   .   152   TYR    H      parsed_2mj0   1   
        38   1   1   .   .   .   .   .   .   .   .   .   130   GLN    H      parsed_2mj0   1   
        38   1   2   .   .   .   .   .   .   .   .   .   136   TRP    HA     parsed_2mj0   1   
        39   1   1   .   .   .   .   .   .   .   .   .   151   PROO   CD     parsed_2mj0   1   
        39   1   2   .   .   .   .   .   .   .   .   .   151   PROO   CG     parsed_2mj0   1   
        40   1   1   .   .   .   .   .   .   .   .   .   151   PROO   CD     parsed_2mj0   1   
        40   1   2   .   .   .   .   .   .   .   .   .   151   PROO   CB     parsed_2mj0   1   
        41   1   1   .   .   .   .   .   .   .   .   .   151   PROO   CD     parsed_2mj0   1   
        41   1   2   .   .   .   .   .   .   .   .   .   151   PROO   HG3    parsed_2mj0   1   
        42   1   1   .   .   .   .   .   .   .   .   .   151   PROO   CD     parsed_2mj0   1   
        42   1   2   .   .   .   .   .   .   .   .   .   151   PROO   HG2    parsed_2mj0   1   
        43   1   1   .   .   .   .   .   .   .   .   .   151   PROO   N      parsed_2mj0   1   
        43   1   2   .   .   .   .   .   .   .   .   .   151   PROO   CG     parsed_2mj0   1   
        44   1   1   .   .   .   .   .   .   .   .   .   151   PROO   HD2    parsed_2mj0   1   
        44   1   2   .   .   .   .   .   .   .   .   .   151   PROO   CG     parsed_2mj0   1   
        45   1   1   .   .   .   .   .   .   .   .   .   151   PROO   HD3    parsed_2mj0   1   
        45   1   2   .   .   .   .   .   .   .   .   .   151   PROO   CG     parsed_2mj0   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   .   .   2.78   parsed_2mj0   1   
         2   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
         3   1   .   .   .   .   .   .   .   2.78   parsed_2mj0   1   
         4   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
         5   1   .   .   .   .   .   .   .   2.64   parsed_2mj0   1   
         6   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
         7   1   .   .   .   .   .   .   .   3.29   parsed_2mj0   1   
         8   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
         9   1   .   .   .   .   .   .   .   2.58   parsed_2mj0   1   
        10   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        11   1   .   .   .   .   .   .   .   3.30   parsed_2mj0   1   
        12   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        13   1   .   .   .   .   .   .   .   2.89   parsed_2mj0   1   
        14   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        15   1   .   .   .   .   .   .   .   3.07   parsed_2mj0   1   
        16   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        17   1   .   .   .   .   .   .   .   3.26   parsed_2mj0   1   
        18   1   .   .   .   .   .   .   .   3.06   parsed_2mj0   1   
        19   1   .   .   .   .   .   .   .   3.08   parsed_2mj0   1   
        20   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        21   1   .   .   .   .   .   .   .   3.86   parsed_2mj0   1   
        22   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        23   1   .   .   .   .   .   .   .   3.36   parsed_2mj0   1   
        24   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        25   1   .   .   .   .   .   .   .   2.83   parsed_2mj0   1   
        26   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        27   1   .   .   .   .   .   .   .   3.31   parsed_2mj0   1   
        28   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        29   1   .   .   .   .   .   .   .   3.48   parsed_2mj0   1   
        30   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        31   1   .   .   .   .   .   .   .   3.78   parsed_2mj0   1   
        32   1   .   .   .   .   .   .   .   0.00   parsed_2mj0   1   
        33   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        34   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        35   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        36   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        37   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        38   1   .   .   .   .   .   .   .   4.00   parsed_2mj0   1   
        39   1   .   .   .   .   .   .   .   1.49   parsed_2mj0   1   
        40   1   .   .   .   .   .   .   .   2.39   parsed_2mj0   1   
        41   1   .   .   .   .   .   .   .   2.12   parsed_2mj0   1   
        42   1   .   .   .   .   .   .   .   2.12   parsed_2mj0   1   
        43   1   .   .   .   .   .   .   .   2.33   parsed_2mj0   1   
        44   1   .   .   .   .   .   .   .   2.12   parsed_2mj0   1   
        45   1   .   .   .   .   .   .   .   2.12   parsed_2mj0   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1   "peak 6"       1   49    1   55   parsed_2mj0   1   
         2   "peak 11"      5   49    5   56   parsed_2mj0   1   
         3   "peak 4"       7   49    7   55   parsed_2mj0   1   
         4   "peak 8"       9   49    9   55   parsed_2mj0   1   
         5   "peak 9"      11   49   11   55   parsed_2mj0   1   
         6   "peak 1"      15   49   15   55   parsed_2mj0   1   
         7   "peak 2"      17   49   17   55   parsed_2mj0   1   
         8   "peak 3"      18   49   18   55   parsed_2mj0   1   
         9   "peak 10"     19   49   19   56   parsed_2mj0   1   
        10   "peak 556"    23   49   23   57   parsed_2mj0   1   
        11   "peak 129"    25   49   25   57   parsed_2mj0   1   
        12   "peak 5"      27   49   27   55   parsed_2mj0   1   
        13   "peak 4"      33   49   33   55   parsed_2mj0   1   
        14   "peak 5"      34   49   34   55   parsed_2mj0   1   
        15   "peak 9"      35   49   35   55   parsed_2mj0   1   
        16   "peak 10"     36   49   36   56   parsed_2mj0   1   
        17   "peak 19"     37   49   37   56   parsed_2mj0   1   
        18   "peak 22"     38   49   38   56   parsed_2mj0   1   
    stop_

save_





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