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
476178 1kr8 5282 cing 2-parsed STAR dipolar coupling 38


data_1kr8_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1kr8 
    _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_1kr8   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1kr8 
    _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   1kr8   "Master copy"    parsed_1kr8   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1kr8 
    _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   1kr8.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1kr8   1   
        1   1kr8.mr   .   .    AMBER         2    distance                  NOE                 simple             10   parsed_1kr8   1   
        1   1kr8.mr   .   .    AMBER         3    distance                  NOE                 simple             89   parsed_1kr8   1   
        1   1kr8.mr   .   .    AMBER         4   "dihedral angle"          "Not applicable"    "Not applicable"    37   parsed_1kr8   1   
        1   1kr8.mr   .   .    AMBER         5    distance                  NOE                 simple             10   parsed_1kr8   1   
        1   1kr8.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"     0   parsed_1kr8   1   
        1   1kr8.mr   .   .    AMBER         7   "dipolar coupling"        "Not applicable"    "Not applicable"    38   parsed_1kr8   1   
        1   1kr8.mr   .   .    n/a           8    comment                  "Not applicable"    "Not applicable"     0   parsed_1kr8   1   
        1   1kr8.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1kr8   1   
    stop_

save_


save_AMBER_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1kr8 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5         .   .   .   .   1kr8_ambr001   2   C   C1'   1kr8_ambr001   2   C   H1'    parsed_1kr8   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.2866      .   .   .   .   1kr8_ambr001   3   G   C1'   1kr8_ambr001   3   G   H1'    parsed_1kr8   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.802156    .   .   .   .   1kr8_ambr001   6   G   C1'   1kr8_ambr001   6   G   H1'    parsed_1kr8   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.7556      .   .   .   .   1kr8_ambr001   7   C   C1'   1kr8_ambr001   7   C   H1'    parsed_1kr8   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.581       .   .   .   .   1kr8_ambr001   7   C   C3'   1kr8_ambr001   7   C   H3'    parsed_1kr8   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.0991629   .   .   .   .   1kr8_ambr001   1   G   C4'   1kr8_ambr001   1   G   H4'    parsed_1kr8   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.80368     .   .   .   .   1kr8_ambr001   2   C   C4'   1kr8_ambr001   2   C   H4'    parsed_1kr8   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.24612     .   .   .   .   1kr8_ambr001   4   A   C4'   1kr8_ambr001   4   A   H4'    parsed_1kr8   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.38329     .   .   .   .   1kr8_ambr001   5   A   C4'   1kr8_ambr001   5   A   H4'    parsed_1kr8   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.45757     .   .   .   .   1kr8_ambr001   2   C   C2'   1kr8_ambr001   2   C   H2'1   parsed_1kr8   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.63689     .   .   .   .   1kr8_ambr001   7   C   C2'   1kr8_ambr001   7   C   H2'1   parsed_1kr8   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.24222     .   .   .   .   1kr8_ambr001   2   C   C2'   1kr8_ambr001   2   C   H2'2   parsed_1kr8   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.890444    .   .   .   .   1kr8_ambr001   7   C   C2'   1kr8_ambr001   7   C   H2'2   parsed_1kr8   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.74526     .   .   .   .   1kr8_ambr001   4   A   C2    1kr8_ambr001   4   A   H2     parsed_1kr8   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.72513     .   .   .   .   1kr8_ambr001   7   C   C5    1kr8_ambr001   7   C   H5     parsed_1kr8   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.1783      .   .   .   .   1kr8_ambr001   2   C   C6    1kr8_ambr001   2   C   H6     parsed_1kr8   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.90366     .   .   .   .   1kr8_ambr001   7   C   C6    1kr8_ambr001   7   C   H6     parsed_1kr8   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.54104     .   .   .   .   1kr8_ambr001   4   A   C8    1kr8_ambr001   4   A   H8     parsed_1kr8   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.481958    .   .   .   .   1kr8_ambr001   1   G   C8    1kr8_ambr001   1   G   H8     parsed_1kr8   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.192902    .   .   .   .   1kr8_ambr001   3   G   C8    1kr8_ambr001   3   G   H8     parsed_1kr8   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.0877      .   .   .   .   1kr8_ambr001   6   G   C8    1kr8_ambr001   6   G   H8     parsed_1kr8   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.2678      .   .   .   .   1kr8_ambr001   6   G   N1    1kr8_ambr001   6   G   H1     parsed_1kr8   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.6151      .   .   .   .   1kr8_ambr001   7   C   N1    1kr8_ambr001   7   C   C1'    parsed_1kr8   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.72773     .   .   .   .   1kr8_ambr001   4   A   N9    1kr8_ambr001   4   A   C8     parsed_1kr8   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.6963      .   .   .   .   1kr8_ambr001   3   G   N9    1kr8_ambr001   3   G   C8     parsed_1kr8   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.94829     .   .   .   .   1kr8_ambr001   6   G   N9    1kr8_ambr001   6   G   C8     parsed_1kr8   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.99102     .   .   .   .   1kr8_ambr001   2   C   N1    1kr8_ambr001   2   C   C6     parsed_1kr8   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.13183     .   .   .   .   1kr8_ambr001   7   C   N1    1kr8_ambr001   7   C   C6     parsed_1kr8   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.13622     .   .   .   .   1kr8_ambr001   2   C   C5    1kr8_ambr001   2   C   H6     parsed_1kr8   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.15679     .   .   .   .   1kr8_ambr001   7   C   C5    1kr8_ambr001   7   C   H6     parsed_1kr8   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.3695      .   .   .   .   1kr8_ambr001   4   A   N1    1kr8_ambr001   4   A   H2     parsed_1kr8   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.2443      .   .   .   .   1kr8_ambr001   4   A   N3    1kr8_ambr001   4   A   H2     parsed_1kr8   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.71506     .   .   .   .   1kr8_ambr001   3   G   N9    1kr8_ambr001   3   G   H8     parsed_1kr8   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.77257     .   .   .   .   1kr8_ambr001   6   G   N9    1kr8_ambr001   6   G   H8     parsed_1kr8   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.00288     .   .   .   .   1kr8_ambr001   2   C   N1    1kr8_ambr001   2   C   H6     parsed_1kr8   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.9198      .   .   .   .   1kr8_ambr001   7   C   N1    1kr8_ambr001   7   C   H6     parsed_1kr8   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.3995      .   .   .   .   1kr8_ambr001   3   G   N7    1kr8_ambr001   3   G   H8     parsed_1kr8   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.9249      .   .   .   .   1kr8_ambr001   6   G   N7    1kr8_ambr001   6   G   H8     parsed_1kr8   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   "2 C C1'  2 C H1'"       1   1     1   19   parsed_1kr8   1   
         2   "3 G C1'  3 G H1'"       4   1     4   19   parsed_1kr8   1   
         3   "6 G C1'  6 G H1'"       7   1     7   19   parsed_1kr8   1   
         4   "7 C C1'  7 C H1'"      10   1    10   19   parsed_1kr8   1   
         5   "7 C C3'  7 C H3'"      13   1    13   19   parsed_1kr8   1   
         6   "1 G C4'  1 G H4'"      16   1    16   19   parsed_1kr8   1   
         7   "2 C C4'  2 C H4'"      19   1    19   19   parsed_1kr8   1   
         8   "4 A C4'  4 A H4'"      22   1    22   19   parsed_1kr8   1   
         9   "5 A C4'  5 A H4'"      25   1    25   19   parsed_1kr8   1   
        10   "2 C C2'  2 C H2'1"     28   1    28   20   parsed_1kr8   1   
        11   "7 C C2'  7 C H2'1"     31   1    31   20   parsed_1kr8   1   
        12   "2 C C2'  2 C H2'2"     34   1    34   20   parsed_1kr8   1   
        13   "7 C C2'  7 C H2'2"     37   1    37   20   parsed_1kr8   1   
        14   "4 A C2  4 A H2"        40   1    40   17   parsed_1kr8   1   
        15   "7 C C5  7 C H5"        43   1    43   17   parsed_1kr8   1   
        16   "2 C C6  2 C H6"        46   1    46   17   parsed_1kr8   1   
        17   "7 C C6  7 C H6"        49   1    49   17   parsed_1kr8   1   
        18   "4 A C8  4 A H8"        52   1    52   17   parsed_1kr8   1   
        19   "1 G C8  1 G H8"        55   1    55   17   parsed_1kr8   1   
        20   "3 G C8  3 G H8"        58   1    58   17   parsed_1kr8   1   
        21   "6 G C8  6 G H8"        61   1    61   17   parsed_1kr8   1   
        22   "6 G N1  6 G H1"        64   1    64   17   parsed_1kr8   1   
        23   "7 C N1  7 C C1'"       67   1    67   18   parsed_1kr8   1   
        24   "4 A N9  4 A C8"        70   1    70   17   parsed_1kr8   1   
        25   "3 G N9  3 G C8"        73   1    73   17   parsed_1kr8   1   
        26   "6 G N9  6 G C8"        76   1    76   17   parsed_1kr8   1   
        27   "2 C N1  2 C C6"        79   1    79   17   parsed_1kr8   1   
        28   "7 C N1  7 C C6"        82   1    82   17   parsed_1kr8   1   
        29   "2 C C5  2 C H6"        85   1    85   17   parsed_1kr8   1   
        30   "7 C C5  7 C H6"        88   1    88   17   parsed_1kr8   1   
        31   "4 A N1  4 A H2"        91   1    91   17   parsed_1kr8   1   
        32   "4 A N3  4 A H2"        94   1    94   17   parsed_1kr8   1   
        33   "3 G N9  3 G H8"        97   1    97   17   parsed_1kr8   1   
        34   "6 G N9  6 G H8"       100   1   100   17   parsed_1kr8   1   
        35   "2 C N1  2 C H6"       103   1   103   17   parsed_1kr8   1   
        36   "7 C N1  7 C H6"       106   1   106   17   parsed_1kr8   1   
        37   "3 G N7  3 G H8"       109   1   109   17   parsed_1kr8   1   
        38   "6 G N7  6 G H8"       112   1   112   17   parsed_1kr8   1   
    stop_

save_





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