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
42820 1zit cing 2-parsed STAR dipolar coupling 24


data_1zit_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1zit 
    _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_1zit   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1zit 
    _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   1zit   "Master copy"    parsed_1zit   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1zit 
    _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   1zit.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1zit   1   
        1   1zit.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1193   parsed_1zit   1   
        1   1zit.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      69   parsed_1zit   1   
        1   1zit.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      24   parsed_1zit   1   
        1   1zit.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1zit   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1zit 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6    .   .   .   .   .    13   .   N   .    13   .   HN   parsed_1zit   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9    .   .   .   .   .    15   .   N   .    15   .   HN   parsed_1zit   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.73   .   .   .   .   .    29   .   N   .    29   .   HN   parsed_1zit   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.29   .   .   .   .   .    30   .   N   .    30   .   HN   parsed_1zit   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.91   .   .   .   .   .    33   .   N   .    33   .   HN   parsed_1zit   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.91   .   .   .   .   .    38   .   N   .    38   .   HN   parsed_1zit   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.94   .   .   .   .   .    39   .   N   .    39   .   HN   parsed_1zit   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.11   .   .   .   .   .    40   .   N   .    40   .   HN   parsed_1zit   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.34   .   .   .   .   .    41   .   N   .    41   .   HN   parsed_1zit   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.69   .   .   .   .   .    42   .   N   .    42   .   HN   parsed_1zit   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.94   .   .   .   .   .    48   .   N   .    48   .   HN   parsed_1zit   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.91   .   .   .   .   .    49   .   N   .    49   .   HN   parsed_1zit   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.2    .   .   .   .   .    50   .   N   .    50   .   HN   parsed_1zit   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.68   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_1zit   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.55   .   .   .   .   .    66   .   N   .    66   .   HN   parsed_1zit   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.33   .   .   .   .   .    69   .   N   .    69   .   HN   parsed_1zit   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.51   .   .   .   .   .    70   .   N   .    70   .   HN   parsed_1zit   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.55   .   .   .   .   .    75   .   N   .    75   .   HN   parsed_1zit   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.48   .   .   .   .   .    76   .   N   .    76   .   HN   parsed_1zit   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.26   .   .   .   .   .    87   .   N   .    87   .   HN   parsed_1zit   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.05   .   .   .   .   .   107   .   N   .   107   .   HN   parsed_1zit   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.55   .   .   .   .   .   112   .   N   .   112   .   HN   parsed_1zit   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.51   .   .   .   .   .   113   .   N   .   113   .   HN   parsed_1zit   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.65   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_1zit   1   
    stop_

save_





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