NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
32419 1g14 cing 2-parsed STAR dipolar coupling 89


data_1g14_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1g14 
    _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_1g14   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1g14 
    _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   1g14   "Master copy"    parsed_1g14   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1g14 
    _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   1g14.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1g14   1   
        1   1g14.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             218   parsed_1g14   1   
        1   1g14.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              31   parsed_1g14   1   
        1   1g14.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     90   parsed_1g14   1   
        1   1g14.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"     89   parsed_1g14   1   
        1   1g14.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1g14   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1g14 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5   .   .   .   .   .    1   .   C1'   .    1   .   H1'   parsed_1g14   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.5   .   .   .   .   .    2   .   C1'   .    2   .   H1'   parsed_1g14   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.3   .   .   .   .   .    3   .   C1'   .    3   .   H1'   parsed_1g14   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.8   .   .   .   .   .    4   .   C1'   .    4   .   H1'   parsed_1g14   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.5   .   .   .   .   .    5   .   C1'   .    5   .   H1'   parsed_1g14   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.9   .   .   .   .   .    6   .   C1'   .    6   .   H1'   parsed_1g14   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.3   .   .   .   .   .    7   .   C1'   .    7   .   H1'   parsed_1g14   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.0   .   .   .   .   .    8   .   C1'   .    8   .   H1'   parsed_1g14   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.1   .   .   .   .   .    9   .   C1'   .    9   .   H1'   parsed_1g14   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.9   .   .   .   .   .   10   .   C1'   .   10   .   H1'   parsed_1g14   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.8   .   .   .   .   .   11   .   C1'   .   11   .   H1'   parsed_1g14   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.6   .   .   .   .   .   12   .   C1'   .   12   .   H1'   parsed_1g14   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.6   .   .   .   .   .   13   .   C1'   .   13   .   H1'   parsed_1g14   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.5   .   .   .   .   .   14   .   C1'   .   14   .   H1'   parsed_1g14   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.4   .   .   .   .   .   15   .   C1'   .   15   .   H1'   parsed_1g14   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.2   .   .   .   .   .   16   .   C1'   .   16   .   H1'   parsed_1g14   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.8   .   .   .   .   .   17   .   C1'   .   17   .   H1'   parsed_1g14   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.9   .   .   .   .   .   18   .   C1'   .   18   .   H1'   parsed_1g14   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.7   .   .   .   .   .   19   .   C1'   .   19   .   H1'   parsed_1g14   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.7   .   .   .   .   .   20   .   C1'   .   20   .   H1'   parsed_1g14   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.0   .   .   .   .   .   21   .   C1'   .   21   .   H1'   parsed_1g14   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.6   .   .   .   .   .   22   .   C1'   .   22   .   H1'   parsed_1g14   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.6   .   .   .   .   .   23   .   C1'   .   23   .   H1'   parsed_1g14   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.3   .   .   .   .   .   24   .   C1'   .   24   .   H1'   parsed_1g14   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.5   .   .   .   .   .    1   .   C3'   .    1   .   H3'   parsed_1g14   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.6   .   .   .   .   .    3   .   C3'   .    3   .   H3'   parsed_1g14   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.2   .   .   .   .   .    6   .   C3'   .    6   .   H3'   parsed_1g14   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.8   .   .   .   .   .   10   .   C3'   .   10   .   H3'   parsed_1g14   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.1   .   .   .   .   .   11   .   C3'   .   11   .   H3'   parsed_1g14   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.6   .   .   .   .   .   12   .   C3'   .   12   .   H3'   parsed_1g14   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.5   .   .   .   .   .   13   .   C3'   .   13   .   H3'   parsed_1g14   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.6   .   .   .   .   .   14   .   C3'   .   14   .   H3'   parsed_1g14   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.6   .   .   .   .   .   15   .   C3'   .   15   .   H3'   parsed_1g14   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.5   .   .   .   .   .   16   .   C3'   .   16   .   H3'   parsed_1g14   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.0   .   .   .   .   .   19   .   C3'   .   19   .   H3'   parsed_1g14   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.0   .   .   .   .   .   21   .   C3'   .   21   .   H3'   parsed_1g14   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.4   .   .   .   .   .   22   .   C3'   .   22   .   H3'   parsed_1g14   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.4   .   .   .   .   .   23   .   C3'   .   23   .   H3'   parsed_1g14   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.4   .   .   .   .   .   24   .   C3'   .   24   .   H3'   parsed_1g14   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.3   .   .   .   .   .    1   .   C4'   .    1   .   H4'   parsed_1g14   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.0   .   .   .   .   .    3   .   C4'   .    3   .   H4'   parsed_1g14   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.5   .   .   .   .   .    6   .   C4'   .    6   .   H4'   parsed_1g14   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.0   .   .   .   .   .   10   .   C4'   .   10   .   H4'   parsed_1g14   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.1   .   .   .   .   .   11   .   C4'   .   11   .   H4'   parsed_1g14   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.5   .   .   .   .   .   12   .   C4'   .   12   .   H4'   parsed_1g14   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4   .   .   .   .   .   13   .   C4'   .   13   .   H4'   parsed_1g14   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.6   .   .   .   .   .   14   .   C4'   .   14   .   H4'   parsed_1g14   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.0   .   .   .   .   .   15   .   C4'   .   15   .   H4'   parsed_1g14   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.5   .   .   .   .   .   21   .   C4'   .   21   .   H4'   parsed_1g14   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.5   .   .   .   .   .   22   .   C4'   .   22   .   H4'   parsed_1g14   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.8   .   .   .   .   .   23   .   C4'   .   23   .   H4'   parsed_1g14   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.8   .   .   .   .   .   24   .   C4'   .   24   .   H4'   parsed_1g14   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.7   .   .   .   .   .    1   .   C8    .    1   .   H8    parsed_1g14   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.3   .   .   .   .   .    2   .   C8    .    2   .   H8    parsed_1g14   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.6   .   .   .   .   .    3   .   C6    .    3   .   H6    parsed_1g14   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.8   .   .   .   .   .    4   .   C8    .    4   .   H8    parsed_1g14   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.0   .   .   .   .   .    5   .   C8    .    5   .   H8    parsed_1g14   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.6   .   .   .   .   .    6   .   C8    .    6   .   H8    parsed_1g14   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.0   .   .   .   .   .    7   .   C8    .    7   .   H8    parsed_1g14   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.0   .   .   .   .   .    8   .   C8    .    8   .   H8    parsed_1g14   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    29.0   .   .   .   .   .    9   .   C8    .    9   .   H8    parsed_1g14   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.7   .   .   .   .   .   10   .   C6    .   10   .   H6    parsed_1g14   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.8   .   .   .   .   .   11   .   C8    .   11   .   H8    parsed_1g14   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.8   .   .   .   .   .   12   .   C8    .   12   .   H8    parsed_1g14   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.5   .   .   .   .   .    4   .   C2    .    4   .   H2    parsed_1g14   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.7   .   .   .   .   .    5   .   C2    .    5   .   H2    parsed_1g14   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.3   .   .   .   .   .    7   .   C2    .    7   .   H2    parsed_1g14   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.7   .   .   .   .   .    8   .   C2    .    8   .   H2    parsed_1g14   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.9   .   .   .   .   .    9   .   C2    .    9   .   H2    parsed_1g14   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.0   .   .   .   .   .   13   .   C6    .   13   .   H6    parsed_1g14   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.7   .   .   .   .   .   14   .   C6    .   14   .   H6    parsed_1g14   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.4   .   .   .   .   .   15   .   C8    .   15   .   H8    parsed_1g14   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.4   .   .   .   .   .   16   .   C6    .   16   .   H6    parsed_1g14   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.2   .   .   .   .   .   17   .   C6    .   17   .   H6    parsed_1g14   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.3   .   .   .   .   .   18   .   C6    .   18   .   H6    parsed_1g14   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    25.3   .   .   .   .   .   20   .   C6    .   20   .   H6    parsed_1g14   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    28.0   .   .   .   .   .   21   .   C6    .   21   .   H6    parsed_1g14   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.9   .   .   .   .   .   22   .   C8    .   22   .   H8    parsed_1g14   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.4   .   .   .   .   .   23   .   C6    .   23   .   H6    parsed_1g14   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.5   .   .   .   .   .    2   .   N1    .    2   .   H1    parsed_1g14   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.9   .   .   .   .   .    6   .   N1    .    6   .   H1    parsed_1g14   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3   .   .   .   .   .   11   .   N1    .   11   .   H1    parsed_1g14   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.1   .   .   .   .   .   15   .   N1    .   15   .   H1    parsed_1g14   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.6   .   .   .   .   .   16   .   N3    .   16   .   H3    parsed_1g14   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.5   .   .   .   .   .   17   .   N3    .   17   .   H3    parsed_1g14   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.2   .   .   .   .   .   18   .   N3    .   18   .   H3    parsed_1g14   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.9   .   .   .   .   .   20   .   N3    .   20   .   H3    parsed_1g14   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.6   .   .   .   .   .   21   .   N3    .   21   .   H3    parsed_1g14   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.0   .   .   .   .   .   22   .   N1    .   22   .   H1    parsed_1g14   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   "Residual Dipolar Couplings"    1   1   1   28   parsed_1g14   1   
    stop_

save_





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