NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
31372 1e7j cing 2-parsed STAR distance NOE ambi 36


data_1e7j_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1e7j 
    _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_1e7j   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1e7j 
    _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   1e7j   "Master copy"    parsed_1e7j   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1e7j 
    _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   1e7j.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      2   "dihedral angle"          "Not applicable"    "Not applicable"     48   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             227   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      4    distance                 "hydrogen bond"      simple              44   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      5    distance                 "hydrogen bond"      simple              10   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      6    distance                  NOE                 simple             762   parsed_1e7j   1   
        1   1e7j.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"      0   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"    "Not applicable"    231   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS      9    distance                  NOE                 ambi                36   parsed_1e7j   1   
        1   1e7j.mr   .   .    XPLOR/CNS     10    planarity                "Not applicable"    "Not applicable"      0   parsed_1e7j   1   
        1   1e7j.mr   .   .   "MR format"    11   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1e7j   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_9
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1e7j 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            9 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_1e7j   1   
         2   1   .   .   .   parsed_1e7j   1   
         3   1   .   .   .   parsed_1e7j   1   
         4   1   .   .   .   parsed_1e7j   1   
         5   1   .   .   .   parsed_1e7j   1   
         6   1   .   .   .   parsed_1e7j   1   
         7   1   .   .   .   parsed_1e7j   1   
         8   1   .   .   .   parsed_1e7j   1   
         9   1   .   .   .   parsed_1e7j   1   
        10   1   .   .   .   parsed_1e7j   1   
        11   1   .   .   .   parsed_1e7j   1   
        12   1   .   .   .   parsed_1e7j   1   
        13   1   .   .   .   parsed_1e7j   1   
        14   1   .   .   .   parsed_1e7j   1   
        15   1   .   .   .   parsed_1e7j   1   
        16   1   .   .   .   parsed_1e7j   1   
        17   1   .   .   .   parsed_1e7j   1   
        18   1   .   .   .   parsed_1e7j   1   
        19   1   .   .   .   parsed_1e7j   1   
        20   1   .   .   .   parsed_1e7j   1   
        21   1   .   .   .   parsed_1e7j   1   
        22   1   .   .   .   parsed_1e7j   1   
        23   1   .   .   .   parsed_1e7j   1   
        24   1   .   .   .   parsed_1e7j   1   
        25   1   .   .   .   parsed_1e7j   1   
        26   1   .   .   .   parsed_1e7j   1   
        27   1   .   .   .   parsed_1e7j   1   
        28   1   .   .   .   parsed_1e7j   1   
        29   1   .   .   .   parsed_1e7j   1   
        30   1   .   .   .   parsed_1e7j   1   
        31   1   .   .   .   parsed_1e7j   1   
        32   1   .   .   .   parsed_1e7j   1   
        33   1   .   .   .   parsed_1e7j   1   
        34   1   .   .   .   parsed_1e7j   1   
        35   1   .   .   .   parsed_1e7j   1   
        36   1   .   .   .   parsed_1e7j   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   HMGD   33   .   HG2*   parsed_1e7j   1   
         1   1   2   .   .   .   .   .   .   .   .   .       6   .   H1'    parsed_1e7j   1   
         2   1   1   .   .   .   .   .   .   .   .   HMGD   33   .   HG2*   parsed_1e7j   1   
         2   1   2   .   .   .   .   .   .   .   .   .       7   .   H1'    parsed_1e7j   1   
         3   1   1   .   .   .   .   .   .   .   .   HMGD   33   .   HG2*   parsed_1e7j   1   
         3   1   2   .   .   .   .   .   .   .   .   .      21   .   H1'    parsed_1e7j   1   
         4   1   1   .   .   .   .   .   .   .   .   HMGD   33   .   HG2*   parsed_1e7j   1   
         4   1   2   .   .   .   .   .   .   .   .   .      20   .   H1'    parsed_1e7j   1   
         5   1   1   .   .   .   .   .   .   .   .   HMGD   33   .   HG2*   parsed_1e7j   1   
         5   1   2   .   .   .   .   .   .   .   .   .      21   .   H2     parsed_1e7j   1   
         6   1   1   .   .   .   .   .   .   .   .   HMGD   13   .   SD     parsed_1e7j   1   
         6   1   2   .   .   .   .   .   .   .   .   .       5   .   N9     parsed_1e7j   1   
         7   1   1   .   .   .   .   .   .   .   .   HMGD   13   .   SD     parsed_1e7j   1   
         7   1   2   .   .   .   .   .   .   .   .   .      22   .   N1     parsed_1e7j   1   
         8   1   1   .   .   .   .   .   .   .   .   HMGD   13   .   SD     parsed_1e7j   1   
         8   1   2   .   .   .   .   .   .   .   .   .       4   .   N1     parsed_1e7j   1   
         8   1   2   .   .   .   .   .   .   .   .   .       6   .   N1     parsed_1e7j   1   
         9   1   1   .   .   .   .   .   .   .   .   HMGD   13   .   SD     parsed_1e7j   1   
         9   1   2   .   .   .   .   .   .   .   .   .      21   .   N9     parsed_1e7j   1   
         9   1   2   .   .   .   .   .   .   .   .   .      23   .   N9     parsed_1e7j   1   
        10   1   1   .   .   .   .   .   .   .   .   HMGD   10   .   HB*    parsed_1e7j   1   
        10   1   2   .   .   .   .   .   .   .   .   .       4   .   H4'    parsed_1e7j   1   
        11   1   1   .   .   .   .   .   .   .   .   HMGD    6   .   HN     parsed_1e7j   1   
        11   1   2   .   .   .   .   .   .   .   .   HMGD    7   .   HN     parsed_1e7j   1   
        12   1   1   .   .   .   .   .   .   .   .   HMGD    9   .   HN     parsed_1e7j   1   
        12   1   2   .   .   .   .   .   .   .   .   HMGD   10   .   HN     parsed_1e7j   1   
        13   1   1   .   .   .   .   .   .   .   .   HMGD   10   .   HN     parsed_1e7j   1   
        13   1   2   .   .   .   .   .   .   .   .   HMGD   11   .   HN     parsed_1e7j   1   
        14   1   1   .   .   .   .   .   .   .   .   HMGD   31   .   HN     parsed_1e7j   1   
        14   1   2   .   .   .   .   .   .   .   .   HMGD   32   .   HN     parsed_1e7j   1   
        15   1   1   .   .   .   .   .   .   .   .   HMGD   46   .   HN     parsed_1e7j   1   
        15   1   2   .   .   .   .   .   .   .   .   HMGD   47   .   HN     parsed_1e7j   1   
        16   1   1   .   .   .   .   .   .   .   .   HMGD   48   .   HN     parsed_1e7j   1   
        16   1   2   .   .   .   .   .   .   .   .   HMGD   49   .   HN     parsed_1e7j   1   
        17   1   1   .   .   .   .   .   .   .   .   .       2   .   P      parsed_1e7j   1   
        17   1   2   .   .   .   .   .   .   .   .   .       4   .   P      parsed_1e7j   1   
        18   1   1   .   .   .   .   .   .   .   .   .       3   .   P      parsed_1e7j   1   
        18   1   2   .   .   .   .   .   .   .   .   .       5   .   P      parsed_1e7j   1   
        19   1   1   .   .   .   .   .   .   .   .   .       4   .   P      parsed_1e7j   1   
        19   1   2   .   .   .   .   .   .   .   .   .       6   .   P      parsed_1e7j   1   
        20   1   1   .   .   .   .   .   .   .   .   .       5   .   P      parsed_1e7j   1   
        20   1   2   .   .   .   .   .   .   .   .   .       7   .   P      parsed_1e7j   1   
        21   1   1   .   .   .   .   .   .   .   .   .      10   .   P      parsed_1e7j   1   
        21   1   2   .   .   .   .   .   .   .   .   .      12   .   P      parsed_1e7j   1   
        22   1   1   .   .   .   .   .   .   .   .   .      11   .   P      parsed_1e7j   1   
        22   1   2   .   .   .   .   .   .   .   .   .      13   .   P      parsed_1e7j   1   
        23   1   1   .   .   .   .   .   .   .   .   .      12   .   P      parsed_1e7j   1   
        23   1   2   .   .   .   .   .   .   .   .   .      14   .   P      parsed_1e7j   1   
        24   1   1   .   .   .   .   .   .   .   .   .      16   .   P      parsed_1e7j   1   
        24   1   2   .   .   .   .   .   .   .   .   .      18   .   P      parsed_1e7j   1   
        25   1   1   .   .   .   .   .   .   .   .   .      17   .   P      parsed_1e7j   1   
        25   1   2   .   .   .   .   .   .   .   .   .      19   .   P      parsed_1e7j   1   
        26   1   1   .   .   .   .   .   .   .   .   .      20   .   P      parsed_1e7j   1   
        26   1   2   .   .   .   .   .   .   .   .   .      22   .   P      parsed_1e7j   1   
        27   1   1   .   .   .   .   .   .   .   .   .      21   .   P      parsed_1e7j   1   
        27   1   2   .   .   .   .   .   .   .   .   .      23   .   P      parsed_1e7j   1   
        28   1   1   .   .   .   .   .   .   .   .   .      22   .   P      parsed_1e7j   1   
        28   1   2   .   .   .   .   .   .   .   .   .      24   .   P      parsed_1e7j   1   
        29   1   1   .   .   .   .   .   .   .   .   .      23   .   P      parsed_1e7j   1   
        29   1   2   .   .   .   .   .   .   .   .   .      25   .   P      parsed_1e7j   1   
        30   1   1   .   .   .   .   .   .   .   .   .      24   .   P      parsed_1e7j   1   
        30   1   2   .   .   .   .   .   .   .   .   .      26   .   P      parsed_1e7j   1   
        31   1   1   .   .   .   .   .   .   .   .   .       3   .   P      parsed_1e7j   1   
        31   1   2   .   .   .   .   .   .   .   .   .      18   .   P      parsed_1e7j   1   
        32   1   1   .   .   .   .   .   .   .   .   .       3   .   P      parsed_1e7j   1   
        32   1   2   .   .   .   .   .   .   .   .   .      19   .   P      parsed_1e7j   1   
        33   1   1   .   .   .   .   .   .   .   .   .       3   .   P      parsed_1e7j   1   
        33   1   2   .   .   .   .   .   .   .   .   .      20   .   P      parsed_1e7j   1   
        34   1   1   .   .   .   .   .   .   .   .   .       4   .   P      parsed_1e7j   1   
        34   1   2   .   .   .   .   .   .   .   .   .      18   .   P      parsed_1e7j   1   
        35   1   1   .   .   .   .   .   .   .   .   .       4   .   P      parsed_1e7j   1   
        35   1   2   .   .   .   .   .   .   .   .   .      19   .   P      parsed_1e7j   1   
        36   1   1   .   .   .   .   .   .   .   .   .       4   .   P      parsed_1e7j   1   
        36   1   2   .   .   .   .   .   .   .   .   .      20   .   P      parsed_1e7j   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .    4.0    0.0     4.0   parsed_1e7j   1   
         2   1   .   .   .   .   .    5.0    0.0     5.0   parsed_1e7j   1   
         3   1   .   .   .   .   .    6.0    0.0     6.0   parsed_1e7j   1   
         4   1   .   .   .   .   .    6.0    0.0     6.0   parsed_1e7j   1   
         5   1   .   .   .   .   .    6.0    0.0     6.0   parsed_1e7j   1   
         6   1   .   .   .   .   .    7.0    0.0     7.0   parsed_1e7j   1   
         7   1   .   .   .   .   .    7.0    0.0     7.0   parsed_1e7j   1   
         8   1   .   .   .   .   .    7.0    0.0     7.0   parsed_1e7j   1   
         9   1   .   .   .   .   .    7.0    0.0     7.0   parsed_1e7j   1   
        10   1   .   .   .   .   .    5.0    0.0     5.0   parsed_1e7j   1   
        11   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        12   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        13   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        14   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        15   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        16   1   .   .   .   .   .    3.3    3.3   103.3   parsed_1e7j   1   
        17   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        18   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        19   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        20   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        21   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        22   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        23   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        24   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        25   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        26   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        27   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        28   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        29   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        30   1   .   .   .   .   .   10.5   10.5    30.5   parsed_1e7j   1   
        31   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
        32   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
        33   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
        34   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
        35   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
        36   1   .   .   .   .   .    9.0    9.0    59.0   parsed_1e7j   1   
    stop_

save_





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