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
52904 2od1 cing 2-parsed STAR dihedral angle 46


data_2od1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2od1 
    _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_2od1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2od1 
    _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   2od1   "Master copy"    parsed_2od1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2od1 
    _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   2od1.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2od1   1   
        1   2od1.mr   .   .    n/a           2    comment                  "Not applicable"      "Not applicable"      0   parsed_2od1   1   
        1   2od1.mr   .   .    XPLOR/CNS     3    distance                  NOE                   simple             991   parsed_2od1   1   
        1   2od1.mr   .   .    n/a           4    comment                  "Not applicable"      "Not applicable"      0   parsed_2od1   1   
        1   2od1.mr   .   .    XPLOR/CNS     5    distance                 "general distance"     simple              24   parsed_2od1   1   
        1   2od1.mr   .   .    n/a           6    comment                  "Not applicable"      "Not applicable"      0   parsed_2od1   1   
        1   2od1.mr   .   .    XPLOR/CNS     7   "dihedral angle"          "Not applicable"      "Not applicable"     46   parsed_2od1   1   
        1   2od1.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2od1   1   
    stop_

save_


save_CNS/XPLOR_dihedral_7
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2od1 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   28   .   n   .   28   .   ca   .   28   .   cb   .   28   .   cg   parsed_2od1   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0     210.0    .   .   29   .   n   .   29   .   ca   .   29   .   cb   .   29   .   cg   parsed_2od1   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   30   .   n   .   30   .   ca   .   30   .   cb   .   30   .   sg   parsed_2od1   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   36   .   n   .   36   .   ca   .   36   .   cb   .   36   .   cg   parsed_2od1   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0     210.0    .   .   38   .   n   .   38   .   ca   .   38   .   cb   .   38   .   sg   parsed_2od1   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0      90.0    .   .   41   .   n   .   41   .   ca   .   41   .   cb   .   41   .   sg   parsed_2od1   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   42   .   n   .   42   .   ca   .   42   .   cb   .   42   .   cg   parsed_2od1   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   46   .   n   .   46   .   ca   .   46   .   cb   .   46   .   cg   parsed_2od1   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0      90.0    .   .   47   .   n   .   47   .   ca   .   47   .   cb   .   47   .   sg   parsed_2od1   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   51   .   n   .   51   .   ca   .   51   .   cb   .   51   .   sg   parsed_2od1   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   55   .   n   .   55   .   ca   .   55   .   cb   .   55   .   cg   parsed_2od1   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0     210.0    .   .   56   .   n   .   56   .   ca   .   56   .   cb   .   56   .   cg   parsed_2od1   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0     210.0    .   .   59   .   n   .   59   .   ca   .   59   .   cb   .   59   .   cg   parsed_2od1   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0      90.0    .   .   60   .   n   .   60   .   ca   .   60   .   cb   .   60   .   cg   parsed_2od1   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0     -30.0    .   .   61   .   n   .   61   .   ca   .   61   .   cb   .   61   .   cg   parsed_2od1   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0     210.0    .   .   63   .   n   .   63   .   ca   .   63   .   cb   .   63   .   sg   parsed_2od1   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.26    -87.26   .   .   35   .   c   .   36   .   n    .   36   .   ca   .   36   .   c    parsed_2od1   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132.31    160.27   .   .   36   .   n   .   36   .   ca   .   36   .   c    .   37   .   n    parsed_2od1   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -131.83   -107.27   .   .   36   .   c   .   37   .   n    .   37   .   ca   .   37   .   c    parsed_2od1   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109.2     139.8    .   .   37   .   n   .   37   .   ca   .   37   .   c    .   38   .   n    parsed_2od1   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134.57   -110.83   .   .   44   .   c   .   45   .   n    .   45   .   ca   .   45   .   c    parsed_2od1   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    140.52    165.10   .   .   45   .   n   .   45   .   ca   .   45   .   c    .   46   .   n    parsed_2od1   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.44   -116.54   .   .   45   .   c   .   46   .   n    .   46   .   ca   .   46   .   c    parsed_2od1   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.02    -53.70   .   .   48   .   c   .   49   .   n    .   49   .   ca   .   49   .   c    parsed_2od1   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.45    -25.43   .   .   49   .   n   .   49   .   ca   .   49   .   c    .   50   .   n    parsed_2od1   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.13    -61.11   .   .   49   .   c   .   50   .   n    .   50   .   ca   .   50   .   c    parsed_2od1   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -46.37    -32.29   .   .   50   .   n   .   50   .   ca   .   50   .   c    .   51   .   n    parsed_2od1   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.45    -57.89   .   .   50   .   c   .   51   .   n    .   51   .   ca   .   51   .   c    parsed_2od1   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48.17    -36.61   .   .   51   .   n   .   51   .   ca   .   51   .   c    .   52   .   n    parsed_2od1   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72.18    -62.08   .   .   51   .   c   .   52   .   n    .   52   .   ca   .   52   .   c    parsed_2od1   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44.86    -31.88   .   .   52   .   n   .   52   .   ca   .   52   .   c    .   53   .   n    parsed_2od1   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71.62    -59.48   .   .   52   .   c   .   53   .   n    .   53   .   ca   .   53   .   c    parsed_2od1   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44.66    -32.80   .   .   53   .   n   .   53   .   ca   .   53   .   c    .   54   .   n    parsed_2od1   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -78.19    -55.37   .   .   53   .   c   .   54   .   n    .   54   .   ca   .   54   .   c    parsed_2od1   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53.43    -21.57   .   .   54   .   n   .   54   .   ca   .   54   .   c    .   55   .   n    parsed_2od1   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -63.20    -53.68   .   .   55   .   c   .   56   .   n    .   56   .   ca   .   56   .   c    parsed_2od1   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.83    -32.21   .   .   56   .   n   .   56   .   ca   .   56   .   c    .   57   .   n    parsed_2od1   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.87    -56.21   .   .   56   .   c   .   57   .   n    .   57   .   ca   .   57   .   c    parsed_2od1   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.81    -36.11   .   .   57   .   n   .   57   .   ca   .   57   .   c    .   58   .   n    parsed_2od1   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68.67    -55.59   .   .   57   .   c   .   58   .   n    .   58   .   ca   .   58   .   c    parsed_2od1   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49.67    -36.43   .   .   58   .   n   .   58   .   ca   .   58   .   c    .   59   .   n    parsed_2od1   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.31    -59.67   .   .   58   .   c   .   59   .   n    .   59   .   ca   .   59   .   c    parsed_2od1   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -45.72    -31.78   .   .   59   .   n   .   59   .   ca   .   59   .   c    .   60   .   n    parsed_2od1   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.10    -55.54   .   .   59   .   c   .   60   .   n    .   60   .   ca   .   60   .   c    parsed_2od1   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73.51    -50.21   .   .   60   .   c   .   61   .   n    .   61   .   ca   .   61   .   c    parsed_2od1   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -40.86    -24.74   .   .   61   .   n   .   61   .   ca   .   61   .   c    .   62   .   n    parsed_2od1   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   
;
assign (resid 34 and name c) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c)  1.0 -95.96 22.12 2
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name c) (resid 36 and name n) 1.0 146.71 13.7 2
;
    52   1    52   1   parsed_2od1   1   
        2   
;
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 153.54 8.52 2
;
    73   1    73   1   parsed_2od1   1   
        3   
;
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1.0 -41.08 8.22 2
;
   122   1   122   1   parsed_2od1   1   
    stop_

save_





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