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
48075 2hv4 cing 2-parsed STAR dipolar coupling 38


data_2hv4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2hv4 
    _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_2hv4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2hv4 
    _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   2hv4   "Master copy"    parsed_2hv4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2hv4 
    _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   2hv4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2hv4   1   
        1   2hv4.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"       0   parsed_2hv4   1   
        1   2hv4.mr   .   .    DYANA/DIANA   3    distance                  NOE                 simple             1672   parsed_2hv4   1   
        1   2hv4.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"       0   parsed_2hv4   1   
        1   2hv4.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"    "Not applicable"     108   parsed_2hv4   1   
        1   2hv4.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"       0   parsed_2hv4   1   
        1   2hv4.mr   .   .    DYANA/DIANA   7   "dipolar coupling"        "Not applicable"    "Not applicable"      38   parsed_2hv4   1   
        1   2hv4.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2hv4   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2hv4 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            7 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.21   .   .   0.2   .   .     2   SER   HN   .   .   .   .   parsed_2hv4   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.70   .   .   0.1   .   .     6   GLY   HN   .   .   .   .   parsed_2hv4   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.39   .   .   0.1   .   .     7   ALA   HN   .   .   .   .   parsed_2hv4   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.40   .   .   0.1   .   .     8   THR   HN   .   .   .   .   parsed_2hv4   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.74   .   .   0.1   .   .     9   LEU   HN   .   .   .   .   parsed_2hv4   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.43   .   .   0.1   .   .    10   PHE   HN   .   .   .   .   parsed_2hv4   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.10   .   .   0.1   .   .    11   LYS   HN   .   .   .   .   parsed_2hv4   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.53   .   .   0.1   .   .    12   THR   HN   .   .   .   .   parsed_2hv4   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.69   .   .   0.1   .   .    13   ARG   HN   .   .   .   .   parsed_2hv4   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.10   .   .   0.1   .   .    14   CYS   HN   .   .   .   .   parsed_2hv4   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.73   .   .   0.1   .   .    49   THR   HN   .   .   .   .   parsed_2hv4   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.48   .   .   0.1   .   .    50   ASP   HN   .   .   .   .   parsed_2hv4   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.68   .   .   0.1   .   .    51   ALA   HN   .   .   .   .   parsed_2hv4   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.55   .   .   0.1   .   .    52   ASN   HN   .   .   .   .   parsed_2hv4   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.72   .   .   0.1   .   .    53   ILE   HN   .   .   .   .   parsed_2hv4   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.02   .   .   0.2   .   .    60   ASP   HN   .   .   .   .   parsed_2hv4   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.75   .   .   0.3   .   .    61   GLU   HN   .   .   .   .   parsed_2hv4   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.54   .   .   0.1   .   .    62   ASN   HN   .   .   .   .   parsed_2hv4   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.45   .   .   0.1   .   .    63   ASN   HN   .   .   .   .   parsed_2hv4   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.06   .   .   0.2   .   .    66   GLU   HN   .   .   .   .   parsed_2hv4   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.50   .   .   0.1   .   .    67   TYR   HN   .   .   .   .   parsed_2hv4   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.56   .   .   0.1   .   .    68   LEU   HN   .   .   .   .   parsed_2hv4   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.47   .   .   0.2   .   .    72   LYS   HN   .   .   .   .   parsed_2hv4   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.20   .   .   0.1   .   .    73   LYS   HN   .   .   .   .   parsed_2hv4   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.33   .   .   0.3   .   .    74   TYR   HN   .   .   .   .   parsed_2hv4   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.53   .   .   0.1   .   .    75   ILE   HN   .   .   .   .   parsed_2hv4   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.20   .   .   0.1   .   .    90   ASP   HN   .   .   .   .   parsed_2hv4   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.21   .   .   0.1   .   .    91   ARG   HN   .   .   .   .   parsed_2hv4   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.14   .   .   0.2   .   .    92   ASN   HN   .   .   .   .   parsed_2hv4   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.35   .   .   0.1   .   .    93   ASP   HN   .   .   .   .   parsed_2hv4   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.22   .   .   0.4   .   .    94   LEU   HN   .   .   .   .   parsed_2hv4   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.01   .   .   0.1   .   .    95   ILE   HN   .   .   .   .   parsed_2hv4   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.10   .   .   0.1   .   .    96   THR   HN   .   .   .   .   parsed_2hv4   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.16   .   .   0.1   .   .    97   TYR   HN   .   .   .   .   parsed_2hv4   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.62   .   .   0.1   .   .    98   LEU   HN   .   .   .   .   parsed_2hv4   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.24   .   .   0.1   .   .    99   LYS   HN   .   .   .   .   parsed_2hv4   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.26   .   .   0.1   .   .   100   LYS   HN   .   .   .   .   parsed_2hv4   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.01   .   .   0.1   .   .   102   THR   HN   .   .   .   .   parsed_2hv4   1   
    stop_

save_





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