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
39760 1tte 6202 cing 2-parsed STAR dipolar coupling 29


data_1tte_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1tte 
    _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_1tte   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1tte 
    _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   1tte   "Master copy"    parsed_1tte   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1tte 
    _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   1tte.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1tte   1   
        1   1tte.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1864   parsed_1tte   1   
        1   1tte.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"      29   parsed_1tte   1   
        1   1tte.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1tte   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_3
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1tte 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            3 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.066   .   .   .   .   .   171   .   N   .   171   .   HN   parsed_1tte   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.321   .   .   .   .   .   172   .   N   .   172   .   HN   parsed_1tte   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.531   .   .   .   .   .   173   .   N   .   173   .   HN   parsed_1tte   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.464   .   .   .   .   .   174   .   N   .   174   .   HN   parsed_1tte   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.729   .   .   .   .   .   175   .   N   .   175   .   HN   parsed_1tte   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.100   .   .   .   .   .   176   .   N   .   176   .   HN   parsed_1tte   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.829   .   .   .   .   .   177   .   N   .   177   .   HN   parsed_1tte   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.425   .   .   .   .   .   182   .   N   .   182   .   HN   parsed_1tte   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.116   .   .   .   .   .   183   .   N   .   183   .   HN   parsed_1tte   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.779   .   .   .   .   .   184   .   N   .   184   .   HN   parsed_1tte   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.624   .   .   .   .   .   185   .   N   .   185   .   HN   parsed_1tte   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.503   .   .   .   .   .   186   .   N   .   186   .   HN   parsed_1tte   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.409   .   .   .   .   .   188   .   N   .   188   .   HN   parsed_1tte   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.536   .   .   .   .   .   189   .   N   .   189   .   HN   parsed_1tte   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.774   .   .   .   .   .   190   .   N   .   190   .   HN   parsed_1tte   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.138   .   .   .   .   .   191   .   N   .   191   .   HN   parsed_1tte   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.768   .   .   .   .   .   192   .   N   .   192   .   HN   parsed_1tte   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.066   .   .   .   .   .   193   .   N   .   193   .   HN   parsed_1tte   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.000   .   .   .   .   .   205   .   N   .   205   .   HN   parsed_1tte   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.033   .   .   .   .   .   206   .   N   .   206   .   HN   parsed_1tte   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.122   .   .   .   .   .   207   .   N   .   207   .   HN   parsed_1tte   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.155   .   .   .   .   .   208   .   N   .   208   .   HN   parsed_1tte   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.790   .   .   .   .   .   209   .   N   .   209   .   HN   parsed_1tte   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.006   .   .   .   .   .   210   .   N   .   210   .   HN   parsed_1tte   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.972   .   .   .   .   .   211   .   N   .   211   .   HN   parsed_1tte   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.122   .   .   .   .   .   212   .   N   .   212   .   HN   parsed_1tte   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.856   .   .   .   .   .   213   .   N   .   213   .   HN   parsed_1tte   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.464   .   .   .   .   .   214   .   N   .   214   .   HN   parsed_1tte   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.166   .   .   .   .   .   215   .   N   .   215   .   HN   parsed_1tte   1   
    stop_

save_





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