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
	516930	2k3b	16843	cing	2-parsed	STAR	dipolar coupling	2

data_2k3b_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k3b 
    _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_2k3b   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k3b 
    _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   2k3b   "Master copy"    parsed_2k3b   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k3b 
    _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   2k3b.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      2   "dipolar coupling"        "Not applicable"    "Not applicable"    25   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"    "Not applicable"     1   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      4   "dipolar coupling"        "Not applicable"    "Not applicable"     2   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      5    unknown                  "Not applicable"    "Not applicable"     0   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      6   "dihedral angle"          "Not applicable"    "Not applicable"    70   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"    "Not applicable"    16   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"    "Not applicable"    45   parsed_2k3b   1   
        1   2k3b.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"    "Not applicable"     2   parsed_2k3b   1   
        1   2k3b.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2k3b   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_10
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2k3b 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            10 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5   .   .   .   .   .   36   .   HE1   .   36   .   NE1   parsed_2k3b   1   
        2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.5   .   .   .   .   .   37   .   HE1   .   37   .   NE1   parsed_2k3b   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   "Corrected for TRP"    1   1   1   21   parsed_2k3b   1   
    stop_

save_

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