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
54457 2z2g 7392 cing 2-parsed STAR dihedral angle 22


data_2z2g_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2z2g 
    _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_2z2g   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2z2g 
    _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   2z2g   "Master copy"    parsed_2z2g   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2z2g 
    _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   2z2g.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2z2g   1   
        1   2z2g.mr   .   .    XPLOR/CNS     2    distance                 "hydrogen bond"      simple             30   parsed_2z2g   1   
        1   2z2g.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    22   parsed_2z2g   1   
        1   2z2g.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2z2g   1   
        1   2z2g.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2z2g   1   
        1   2z2g.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_2z2g   1   
        1   2z2g.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2z2g   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2z2g 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.0    15.0   .   .    1   .   C2   .    1   .   N3   .   24   .   N1   .   24   .   C2   parsed_2z2g   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   165.0   195.0   .   .    1   .   N3   .    1   .   C4   .   24   .   C2   .   24   .   N1   parsed_2z2g   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    2   .   C2   .    2   .   N3   .   23   .   N1   .   23   .   C2   parsed_2z2g   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    2   .   N3   .    2   .   C4   .   23   .   C2   .   23   .   N1   parsed_2z2g   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    3   .   C2   .    3   .   N3   .   22   .   N1   .   22   .   C2   parsed_2z2g   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    3   .   N3   .    3   .   C4   .   22   .   C2   .   22   .   N1   parsed_2z2g   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.0    10.0   .   .    5   .   C2   .    5   .   N1   .   20   .   N3   .   20   .   C2   parsed_2z2g   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   170.0   190.0   .   .    5   .   C2   .    5   .   N1   .   20   .   N3   .   20   .   C4   parsed_2z2g   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    6   .   C2   .    6   .   N3   .   19   .   N1   .   19   .   C2   parsed_2z2g   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    6   .   N3   .    6   .   C4   .   19   .   C2   .   19   .   N1   parsed_2z2g   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    7   .   C2   .    7   .   N1   .   18   .   N3   .   18   .   C2   parsed_2z2g   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    7   .   C2   .    7   .   N1   .   18   .   N3   .   18   .   C4   parsed_2z2g   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    8   .   C2   .    8   .   N3   .   17   .   N1   .   17   .   C2   parsed_2z2g   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    8   .   N3   .    8   .   C4   .   17   .   C2   .   17   .   N1   parsed_2z2g   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .    9   .   C2   .    9   .   N3   .   16   .   N1   .   16   .   C2   parsed_2z2g   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .    9   .   N3   .    9   .   C4   .   16   .   C2   .   16   .   N1   parsed_2z2g   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .   10   .   C2   .   10   .   N1   .   15   .   N3   .   15   .   C2   parsed_2z2g   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .   10   .   C2   .   10   .   N1   .   15   .   N3   .   15   .   C4   parsed_2z2g   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.0     5.0   .   .   11   .   C2   .   11   .   N3   .   14   .   N1   .   14   .   C2   parsed_2z2g   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   175.0   185.0   .   .   11   .   N3   .   11   .   C4   .   14   .   C2   .   14   .   N1   parsed_2z2g   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.0    15.0   .   .   12   .   C2   .   12   .   N3   .   13   .   N1   .   13   .   C2   parsed_2z2g   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   165.0   195.0   .   .   12   .   N3   .   12   .   C4   .   13   .   C2   .   13   .   N1   parsed_2z2g   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

         1   "message=on echo=on"     1   1    1   26   parsed_2z2g   1   
         2   
;
restraints dihedral reset, read book xplor p117
bases planes  CTCGGCGCCATC
C:G
;
    2   1    4    5   parsed_2z2g   1   
         3    T:A                     9   1    9    5   parsed_2z2g   1   
         4    C:G                    14   1   14    5   parsed_2z2g   1   
         5   
;
IQ:C
assign (resid  4 and name C2 ) (resid  4 and name N1 )
(resid 21 and name N3 ) (resid 21 and name C2 ) 20.0   0.0 5.0 2
assign (resid  4 and name C2 ) (resid  4 and name N1 )
(resid 21 and name N3 ) (resid 21 and name C4 ) 20.0 180.0 5.0 2
G:C
;
   19   1   24    5   parsed_2z2g   1   
         6    C:G                    29   1   29    5   parsed_2z2g   1   
         7    G:C                    34   1   34    5   parsed_2z2g   1   
         8    C:G                    39   1   39    5   parsed_2z2g   1   
         9    C:G                    44   1   44    5   parsed_2z2g   1   
        10    A:T                    49   1   49    5   parsed_2z2g   1   
        11    T:A                    54   1   54    5   parsed_2z2g   1   
        12    C:G                    59   1   59    5   parsed_2z2g   1   
    stop_

save_





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