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
570226 2m23 18893 cing 2-parsed STAR dipolar coupling 20


data_2m23_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m23 
    _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_2m23   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m23 
    _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   2m23   "Master copy"    parsed_2m23   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m23 
    _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   2m23.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             747   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              82   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    150   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"     96   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     36   parsed_2m23   1   
        1   2m23.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"    "Not applicable"     20   parsed_2m23   1   
        1   2m23.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2m23   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2m23 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   36.9    .   .   .   .   .    1   .   C8   .    1   .   H8   parsed_2m23   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.68   .   .   .   .   .    2   .   C8   .    2   .   H8   parsed_2m23   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   17.11   .   .   .   .   .    3   .   C8   .    3   .   H8   parsed_2m23   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.12   .   .   .   .   .    5   .   C6   .    5   .   H6   parsed_2m23   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.55   .   .   .   .   .    6   .   C8   .    6   .   H8   parsed_2m23   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   39.52   .   .   .   .   .    8   .   C8   .    8   .   H8   parsed_2m23   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   19.28   .   .   .   .   .    9   .   C6   .    9   .   H6   parsed_2m23   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   31.86   .   .   .   .   .   10   .   C8   .   10   .   H8   parsed_2m23   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.87   .   .   .   .   .   12   .   C6   .   12   .   H6   parsed_2m23   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   20.58   .   .   .   .   .   18   .   C6   .   18   .   H6   parsed_2m23   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   34.9    .   .   .   .   .   19   .   C8   .   19   .   H8   parsed_2m23   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.93   .   .   .   .   .   20   .   C8   .   20   .   H8   parsed_2m23   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.6    .   .   .   .   .   22   .   C6   .   22   .   H6   parsed_2m23   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   29.71   .   .   .   .   .   25   .   C8   .   25   .   H8   parsed_2m23   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.02   .   .   .   .   .   26   .   C6   .   26   .   H6   parsed_2m23   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   13.72   .   .   .   .   .   27   .   C6   .   27   .   H6   parsed_2m23   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.07   .   .   .   .   .   28   .   C6   .   28   .   H6   parsed_2m23   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.12   .   .   .   .   .    3   .   C2   .    3   .   H2   parsed_2m23   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   13.28   .   .   .   .   .   16   .   C2   .   16   .   H2   parsed_2m23   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   40.98   .   .   .   .   .   20   .   C2   .   20   .   H2   parsed_2m23   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   "H-C residual dipolar coupling restraints"    1   1   1   1   parsed_2m23   1   
    stop_

save_





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