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
583495 2mkm 19784 cing 2-parsed STAR dipolar coupling 35


data_2mkm_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mkm 
    _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_2mkm   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mkm 
    _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   2mkm   "Master copy"    parsed_2mkm   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mkm 
    _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   2mkm.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_2mkm   1   
        1   2mkm.mr   .   .    AMBER          2    distance                  NOE                 simple               0   parsed_2mkm   1   
        1   2mkm.mr   .   .    AMBER          3    planarity                "Not applicable"    "Not applicable"      0   parsed_2mkm   1   
        1   2mkm.mr   .   .    AMBER          4    distance                 "hydrogen bond"      simple               0   parsed_2mkm   1   
        1   2mkm.mr   .   .    AMBER          5   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2mkm   1   
        1   2mkm.mr   .   .   "MR format"     6    comment                  "Not applicable"    "Not applicable"      0   parsed_2mkm   1   
        1   2mkm.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple             304   parsed_2mkm   1   
        1   2mkm.mr   .   .    XPLOR/CNS      8    distance                 "hydrogen bond"      simple              25   parsed_2mkm   1   
        1   2mkm.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"    "Not applicable"     67   parsed_2mkm   1   
        1   2mkm.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"    "Not applicable"     35   parsed_2mkm   1   
        1   2mkm.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2mkm   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_10
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2mkm 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.750   .   .   .   .   .    1   .   C8    .    1   .   H8    parsed_2mkm   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.950   .   .   .   .   .    2   .   C8    .    2   .   H8    parsed_2mkm   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.950   .   .   .   .   .    3   .   C6    .    3   .   H6    parsed_2mkm   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.850   .   .   .   .   .    5   .   C8    .    5   .   H8    parsed_2mkm   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.750   .   .   .   .   .    6   .   C8    .    6   .   H8    parsed_2mkm   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   10.450   .   .   .   .   .    7   .   C6    .    7   .   H6    parsed_2mkm   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.000   .   .   .   .   .    8   .   C8    .    8   .   H8    parsed_2mkm   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.650   .   .   .   .   .   11   .   C8    .   11   .   H8    parsed_2mkm   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.600   .   .   .   .   .    1   .   C1'   .    1   .   H1'   parsed_2mkm   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.750   .   .   .   .   .    4   .   C1'   .    4   .   H1'   parsed_2mkm   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.900   .   .   .   .   .    8   .   C1'   .    8   .   H1'   parsed_2mkm   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.600   .   .   .   .   .    9   .   C1'   .    9   .   H1'   parsed_2mkm   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.600   .   .   .   .   .    2   .   C4'   .    2   .   H4'   parsed_2mkm   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.950   .   .   .   .   .    3   .   C4'   .    3   .   H4'   parsed_2mkm   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.800   .   .   .   .   .    4   .   C4'   .    4   .   H4'   parsed_2mkm   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.600   .   .   .   .   .    5   .   C4'   .    5   .   H4'   parsed_2mkm   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.800   .   .   .   .   .    6   .   C4'   .    6   .   H4'   parsed_2mkm   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.800   .   .   .   .   .    7   .   C4'   .    7   .   H4'   parsed_2mkm   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.750   .   .   .   .   .    8   .   C4'   .    8   .   H4'   parsed_2mkm   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.850   .   .   .   .   .   10   .   C4'   .   10   .   H4'   parsed_2mkm   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.800   .   .   .   .   .   11   .   C4'   .   11   .   H4'   parsed_2mkm   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.950   .   .   .   .   .    1   .   H8    .    1   .   C8    parsed_2mkm   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.801   .   .   .   .   .    2   .   H8    .    2   .   C8    parsed_2mkm   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.950   .   .   .   .   .    3   .   H6    .    3   .   C6    parsed_2mkm   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.900   .   .   .   .   .    6   .   H8    .    6   .   C8    parsed_2mkm   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.751   .   .   .   .   .    7   .   H6    .    7   .   C6    parsed_2mkm   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.950   .   .   .   .   .    8   .   H8    .    8   .   C8    parsed_2mkm   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.701   .   .   .   .   .   11   .   H8    .   11   .   C8    parsed_2mkm   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.950   .   .   .   .   .    2   .   H4'   .    2   .   C4'   parsed_2mkm   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.750   .   .   .   .   .    3   .   H4'   .    3   .   C4'   parsed_2mkm   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.700   .   .   .   .   .    5   .   H4'   .    5   .   C4'   parsed_2mkm   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.950   .   .   .   .   .    6   .   H4'   .    6   .   C4'   parsed_2mkm   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.900   .   .   .   .   .    8   .   H4'   .    8   .   C4'   parsed_2mkm   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.600   .   .   .   .   .   11   .   H4'   .   11   .   C4'   parsed_2mkm   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.000   .   .   .   .   .    5   .   H8    .    5   .   C8    parsed_2mkm   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   "RDC Bicelle"      1   1     1   13   parsed_2mkm   1   
        2   "RDC Phages"     153   1   153   12   parsed_2mkm   1   
        3    new             245   1   245    6   parsed_2mkm   1   
    stop_

save_





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