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
29219 1amb cing 2-parsed STAR dihedral angle 27


data_1amb_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1amb 
    _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_1amb   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1amb 
    _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   1amb   "Master copy"    parsed_1amb   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1amb 
    _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   1amb.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple              51   parsed_1amb   1   
        1   1amb.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             144   parsed_1amb   1   
        1   1amb.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              47   parsed_1amb   1   
        1   1amb.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS      9    distance                 "hydrogen bond"      simple              16   parsed_1amb   1   
        1   1amb.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS     11    distance                 "hydrogen bond"      simple              18   parsed_1amb   1   
        1   1amb.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS     13    distance                 "hydrogen bond"      simple              12   parsed_1amb   1   
        1   1amb.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS     15   "dihedral angle"          "Not applicable"    "Not applicable"     27   parsed_1amb   1   
        1   1amb.mr   .   .    n/a           16    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    XPLOR/CNS     17   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .    n/a           18    comment                  "Not applicable"    "Not applicable"      0   parsed_1amb   1   
        1   1amb.mr   .   .   "MR format"    19   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1amb   1   
    stop_

save_


save_CNS/XPLOR_dihedral_15
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_1amb 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            15 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -136.0-$DELTA6   -136.0+$DELTA6   .   .    2   .   HN   .    2   .   N   .    2   .   CA   .    2   .   HA    parsed_1amb   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.0-$DELTA6   -134.0+$DELTA6   .   .    3   .   HN   .    3   .   N   .    3   .   CA   .    3   .   HA    parsed_1amb   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -147.0-$DELTA8   -147.0+$DELTA8   .   .    4   .   HN   .    4   .   N   .    4   .   CA   .    4   .   HA    parsed_1amb   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -142.0-$DELTA7   -142.0+$DELTA7   .   .    5   .   HN   .    5   .   N   .    5   .   CA   .    5   .   HA    parsed_1amb   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129.0-$DELTA5   -129.0+$DELTA5   .   .    6   .   HN   .    6   .   N   .    6   .   CA   .    6   .   HA    parsed_1amb   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155.0-$DELTA8   -155.0+$DELTA8   .   .    7   .   HN   .    7   .   N   .    7   .   CA   .    7   .   HA    parsed_1amb   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.0-$DELTA6   -132.0+$DELTA6   .   .    8   .   HN   .    8   .   N   .    8   .   CA   .    8   .   HA    parsed_1amb   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0-$DELTA7   -144.0+$DELTA7   .   .    9   .   HN   .    9   .   N   .    9   .   CA   .    9   .   HA2   parsed_1amb   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.0-$DELTA6   -133.0+$DELTA6   .   .   10   .   HN   .   10   .   N   .   10   .   CA   .   10   .   HA    parsed_1amb   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.0-$DELTA7   -146.0+$DELTA7   .   .   11   .   HN   .   11   .   N   .   11   .   CA   .   11   .   HA    parsed_1amb   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -114.0-$DELTA4   -114.0+$DELTA4   .   .   12   .   HN   .   12   .   N   .   12   .   CA   .   12   .   HA    parsed_1amb   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127.0-$DELTA5   -127.0+$DELTA5   .   .   13   .   HN   .   13   .   N   .   13   .   CA   .   13   .   HA    parsed_1amb   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.0-$DELTA4   -123.0+$DELTA4   .   .   14   .   HN   .   14   .   N   .   14   .   CA   .   14   .   HA    parsed_1amb   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0-$DELTA7   -144.0+$DELTA7   .   .   15   .   HN   .   15   .   N   .   15   .   CA   .   15   .   HA    parsed_1amb   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.0-$DELTA6   -132.0+$DELTA6   .   .   16   .   HN   .   16   .   N   .   16   .   CA   .   16   .   HA    parsed_1amb   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.0-$DELTA6   -132.0+$DELTA6   .   .   17   .   HN   .   17   .   N   .   17   .   CA   .   17   .   HA    parsed_1amb   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0-$DELTA7   -144.0+$DELTA7   .   .   18   .   HN   .   18   .   N   .   18   .   CA   .   18   .   HA    parsed_1amb   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -113.0-$DELTA3   -113.0+$DELTA3   .   .   19   .   HN   .   19   .   N   .   19   .   CA   .   19   .   HA    parsed_1amb   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -115.0-$DELTA4   -115.0+$DELTA4   .   .   20   .   HN   .   20   .   N   .   20   .   CA   .   20   .   HA    parsed_1amb   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -130.0-$DELTA5   -130.0+$DELTA5   .   .   21   .   HN   .   21   .   N   .   21   .   CA   .   21   .   HA    parsed_1amb   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.0-$DELTA7   -140.0+$DELTA7   .   .   22   .   HN   .   22   .   N   .   22   .   CA   .   22   .   HA    parsed_1amb   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137.0-$DELTA6   -137.0+$DELTA6   .   .   23   .   HN   .   23   .   N   .   23   .   CA   .   23   .   HA    parsed_1amb   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.0-$DELTA5   -126.0+$DELTA5   .   .   24   .   HN   .   24   .   N   .   24   .   CA   .   24   .   HA    parsed_1amb   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.0-$DELTA6   -133.0+$DELTA6   .   .   25   .   HN   .   25   .   N   .   25   .   CA   .   25   .   HA2   parsed_1amb   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144.0-$DELTA7   -144.0+$DELTA7   .   .   26   .   HN   .   26   .   N   .   26   .   CA   .   26   .   HA    parsed_1amb   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.0-$DELTA6   -138.0+$DELTA6   .   .   27   .   HN   .   27   .   N   .   27   .   CA   .   27   .   HA    parsed_1amb   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138.0-$DELTA6   -138.0+$DELTA6   .   .   28   .   HN   .   28   .   N   .   28   .   CA   .   28   .   HA    parsed_1amb   1   
    stop_

save_





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