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
650161 6saa 34417 cing 2-parsed STAR dihedral angle 38


data_6saa_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6saa 
    _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_6saa   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6saa 
    _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   6saa   "Master copy"    parsed_6saa   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6saa 
    _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   6saa.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_6saa   1   
        1   6saa.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple             20   parsed_6saa   1   
        1   6saa.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    38   parsed_6saa   1   
        1   6saa.mr   .   .    XPLOR/CNS     4    distance                  NOE                 ambi                0   parsed_6saa   1   
        1   6saa.mr   .   .    XPLOR/CNS     5    distance                  NOE                 ambi                0   parsed_6saa   1   
        1   6saa.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_6saa   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_6saa 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00   -35.28   .   "   A"     2   .   C   "   A"     3   .   N    "   A"     3   .   CA   "   A"     3   .   C   parsed_6saa   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.00   168.82   .   "   A"     3   .   N   "   A"     3   .   CA   "   A"     3   .   C    "   A"     4   .   N   parsed_6saa   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -110.00   -26.50   .   "   A"     3   .   C   "   A"     4   .   N    "   A"     4   .   CA   "   A"     4   .   C   parsed_6saa   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00   181.76   .   "   A"     4   .   N   "   A"     4   .   CA   "   A"     4   .   C    "   A"     5   .   N   parsed_6saa   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.00   -21.24   .   "   A"     4   .   C   "   A"     5   .   N    "   A"     5   .   CA   "   A"     5   .   C   parsed_6saa   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00   160.42   .   "   A"     5   .   N   "   A"     5   .   CA   "   A"     5   .   C    "   A"     6   .   N   parsed_6saa   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.00   -42.68   .   "   A"     6   .   C   "   A"     7   .   N    "   A"     7   .   CA   "   A"     7   .   C   parsed_6saa   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.00   169.90   .   "   A"     7   .   N   "   A"     7   .   CA   "   A"     7   .   C    "   A"     8   .   N   parsed_6saa   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00   -16.22   .   "   A"     7   .   C   "   A"     8   .   N    "   A"     8   .   CA   "   A"     8   .   C   parsed_6saa   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.00   177.92   .   "   A"     8   .   N   "   A"     8   .   CA   "   A"     8   .   C    "   A"     9   .   N   parsed_6saa   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.00   -77.52   .   "   A"     8   .   C   "   A"     9   .   N    "   A"     9   .   CA   "   A"     9   .   C   parsed_6saa   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   198.66   .   "   A"     9   .   N   "   A"     9   .   CA   "   A"     9   .   C    "   A"    10   .   N   parsed_6saa   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.00   -36.92   .   "   A"    10   .   C   "   A"    11   .   N    "   A"    11   .   CA   "   A"    11   .   C   parsed_6saa   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   190.08   .   "   A"    11   .   N   "   A"    11   .   CA   "   A"    11   .   C    "   A"    12   .   N   parsed_6saa   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.00   -32.58   .   "   A"    11   .   C   "   A"    12   .   N    "   A"    12   .   CA   "   A"    12   .   C   parsed_6saa   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.00   164.40   .   "   A"    12   .   N   "   A"    12   .   CA   "   A"    12   .   C    "   A"    13   .   N   parsed_6saa   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00   -17.56   .   "   A"    12   .   C   "   A"    13   .   N    "   A"    13   .   CA   "   A"    13   .   C   parsed_6saa   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.00   168.60   .   "   A"    13   .   N   "   A"    13   .   CA   "   A"    13   .   C    "   A"    14   .   N   parsed_6saa   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.00   -40.00   .   "   A"    14   .   C   "   A"    15   .   N    "   A"    15   .   CA   "   A"    15   .   C   parsed_6saa   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.00   169.98   .   "   A"    15   .   N   "   A"    15   .   CA   "   A"    15   .   C    "   A"    16   .   N   parsed_6saa   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.00   -73.76   .   "   A"    15   .   C   "   A"    16   .   N    "   A"    16   .   CA   "   A"    16   .   C   parsed_6saa   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   199.54   .   "   A"    16   .   N   "   A"    16   .   CA   "   A"    16   .   C    "   A"    17   .   N   parsed_6saa   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.00   -36.52   .   "   A"    16   .   C   "   A"    17   .   N    "   A"    17   .   CA   "   A"    17   .   C   parsed_6saa   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    120.00   174.16   .   "   A"    17   .   N   "   A"    17   .   CA   "   A"    17   .   C    "   A"    18   .   N   parsed_6saa   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00   -86.20   .   "   A"    17   .   C   "   A"    18   .   N    "   A"    18   .   CA   "   A"    18   .   C   parsed_6saa   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   180.30   .   "   A"    18   .   N   "   A"    18   .   CA   "   A"    18   .   C    "   A"    19   .   N   parsed_6saa   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00   -84.64   .   "   A"    18   .   C   "   A"    19   .   N    "   A"    19   .   CA   "   A"    19   .   C   parsed_6saa   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.00   172.98   .   "   A"    19   .   N   "   A"    19   .   CA   "   A"    19   .   C    "   A"    20   .   N   parsed_6saa   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.00   -81.44   .   "   A"    19   .   C   "   A"    20   .   N    "   A"    20   .   CA   "   A"    20   .   C   parsed_6saa   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   179.08   .   "   A"    20   .   N   "   A"    20   .   CA   "   A"    20   .   C    "   A"    21   .   N   parsed_6saa   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00   -82.24   .   "   A"    20   .   C   "   A"    21   .   N    "   A"    21   .   CA   "   A"    21   .   C   parsed_6saa   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   166.40   .   "   A"    21   .   N   "   A"    21   .   CA   "   A"    21   .   C    "   A"    22   .   N   parsed_6saa   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00   -72.08   .   "   A"    21   .   C   "   A"    22   .   N    "   A"    22   .   CA   "   A"    22   .   C   parsed_6saa   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00   150.08   .   "   A"    22   .   N   "   A"    22   .   CA   "   A"    22   .   C    "   A"    23   .   N   parsed_6saa   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.00   -12.66   .   "   A"    22   .   C   "   A"    23   .   N    "   A"    23   .   CA   "   A"    23   .   C   parsed_6saa   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     60.00   180.24   .   "   A"    23   .   N   "   A"    23   .   CA   "   A"    23   .   C    "   A"    24   .   N   parsed_6saa   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -180.00   -55.18   .   "   A"    25   .   C   "   A"    26   .   N    "   A"    26   .   CA   "   A"    26   .   C   parsed_6saa   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00   194.34   .   "   A"    26   .   N   "   A"    26   .   CA   "   A"    26   .   C    "   A"    27   .   N   parsed_6saa   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "# Restraints file 2: 1_1.tbl"    1   1   1   28   parsed_6saa   1   
    stop_

save_





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