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
569537 2lts 17703 cing 2-parsed STAR dipolar coupling 38


data_2lts_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lts 
    _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_2lts   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lts 
    _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   2lts   "Master copy"    parsed_2lts   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lts 
    _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   2lts.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2lts   1   
        1   2lts.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             338   parsed_2lts   1   
        1   2lts.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    150   parsed_2lts   1   
        1   2lts.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     38   parsed_2lts   1   
        1   2lts.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               0   parsed_2lts   1   
        1   2lts.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2lts   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lts 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.2985   .   .   .   .   .   150   .   N   .   150   .   HN   parsed_2lts   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.5608   .   .   .   .   .   154   .   N   .   154   .   HN   parsed_2lts   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.1182   .   .   .   .   .   158   .   N   .   158   .   HN   parsed_2lts   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.1072   .   .   .   .   .   159   .   N   .   159   .   HN   parsed_2lts   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.7430   .   .   .   .   .   160   .   N   .   160   .   HN   parsed_2lts   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4189   .   .   .   .   .   163   .   N   .   163   .   HN   parsed_2lts   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.4136   .   .   .   .   .   167   .   N   .   167   .   HN   parsed_2lts   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4625   .   .   .   .   .   169   .   N   .   169   .   HN   parsed_2lts   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.5807   .   .   .   .   .   170   .   N   .   170   .   HN   parsed_2lts   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.7381   .   .   .   .   .   171   .   N   .   171   .   HN   parsed_2lts   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.8585   .   .   .   .   .   172   .   N   .   172   .   HN   parsed_2lts   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.3000   .   .   .   .   .   174   .   N   .   174   .   HN   parsed_2lts   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.9984   .   .   .   .   .   175   .   N   .   175   .   HN   parsed_2lts   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.6708   .   .   .   .   .   178   .   N   .   178   .   HN   parsed_2lts   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6889   .   .   .   .   .   179   .   N   .   179   .   HN   parsed_2lts   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.6000   .   .   .   .   .   180   .   N   .   180   .   HN   parsed_2lts   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.2287   .   .   .   .   .   189   .   N   .   189   .   HN   parsed_2lts   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.8437   .   .   .   .   .   190   .   N   .   190   .   HN   parsed_2lts   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.7780   .   .   .   .   .   191   .   N   .   191   .   HN   parsed_2lts   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.1492   .   .   .   .   .   192   .   N   .   192   .   HN   parsed_2lts   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9915   .   .   .   .   .   193   .   N   .   193   .   HN   parsed_2lts   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.9337   .   .   .   .   .   198   .   N   .   198   .   HN   parsed_2lts   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.9000   .   .   .   .   .   199   .   N   .   199   .   HN   parsed_2lts   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8206   .   .   .   .   .   200   .   N   .   200   .   HN   parsed_2lts   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.2977   .   .   .   .   .   201   .   N   .   201   .   HN   parsed_2lts   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.9718   .   .   .   .   .   202   .   N   .   202   .   HN   parsed_2lts   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.1800   .   .   .   .   .   203   .   N   .   203   .   HN   parsed_2lts   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.2400   .   .   .   .   .   210   .   N   .   210   .   HN   parsed_2lts   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5741   .   .   .   .   .   212   .   N   .   212   .   HN   parsed_2lts   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.2000   .   .   .   .   .   213   .   N   .   213   .   HN   parsed_2lts   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.1720   .   .   .   .   .   217   .   N   .   217   .   HN   parsed_2lts   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.2050   .   .   .   .   .   218   .   N   .   218   .   HN   parsed_2lts   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.8000   .   .   .   .   .   220   .   N   .   220   .   HN   parsed_2lts   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.9757   .   .   .   .   .   222   .   N   .   222   .   HN   parsed_2lts   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6931   .   .   .   .   .   226   .   N   .   226   .   HN   parsed_2lts   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.7102   .   .   .   .   .   229   .   N   .   229   .   HN   parsed_2lts   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.9474   .   .   .   .   .   231   .   N   .   231   .   HN   parsed_2lts   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.5927   .   .   .   .   .   232   .   N   .   232   .   HN   parsed_2lts   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-bond restraints
############### dsRBD2 ########################
;
   228   53   229   50   parsed_2lts   1   
    stop_

save_





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