NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type item_count
36933 1op1 5598 cing recoord 2-parsed STAR dipolar coupling 63


data_1op1_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1op1 
    _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_1op1   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1op1 
    _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   1op1   "Master copy"    parsed_1op1   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1op1 
    _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   1op1.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1op1   1   
        1   1op1.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1026   parsed_1op1   1   
        1   1op1.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              100   parsed_1op1   1   
        1   1op1.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"     168   parsed_1op1   1   
        1   1op1.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"      65   parsed_1op1   1   
        1   1op1.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"      63   parsed_1op1   1   
        1   1op1.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1op1   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1op1 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            6 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1000   .   .   .   .   .   18   .   N   .   18   .   HN   parsed_1op1   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9000   .   .   .   .   .   19   .   N   .   19   .   HN   parsed_1op1   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.5000   .   .   .   .   .   20   .   N   .   20   .   HN   parsed_1op1   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.0000   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_1op1   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.8000   .   .   .   .   .   22   .   N   .   22   .   HN   parsed_1op1   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.7000   .   .   .   .   .   24   .   N   .   24   .   HN   parsed_1op1   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2000   .   .   .   .   .   25   .   N   .   25   .   HN   parsed_1op1   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.1000   .   .   .   .   .   26   .   N   .   26   .   HN   parsed_1op1   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.1000   .   .   .   .   .   27   .   N   .   27   .   HN   parsed_1op1   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.5000   .   .   .   .   .   28   .   N   .   28   .   HN   parsed_1op1   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.2000   .   .   .   .   .   29   .   N   .   29   .   HN   parsed_1op1   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.6000   .   .   .   .   .   30   .   N   .   30   .   HN   parsed_1op1   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.3000   .   .   .   .   .   31   .   N   .   31   .   HN   parsed_1op1   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.6000   .   .   .   .   .   33   .   N   .   33   .   HN   parsed_1op1   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6000   .   .   .   .   .   35   .   N   .   35   .   HN   parsed_1op1   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.5000   .   .   .   .   .   37   .   N   .   37   .   HN   parsed_1op1   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -28.6000   .   .   .   .   .   40   .   N   .   40   .   HN   parsed_1op1   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.1000   .   .   .   .   .   41   .   N   .   41   .   HN   parsed_1op1   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.4000   .   .   .   .   .   43   .   N   .   43   .   HN   parsed_1op1   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.3000   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_1op1   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.1000   .   .   .   .   .   45   .   N   .   45   .   HN   parsed_1op1   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.4000   .   .   .   .   .   46   .   N   .   46   .   HN   parsed_1op1   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.8000   .   .   .   .   .   47   .   N   .   47   .   HN   parsed_1op1   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.9000   .   .   .   .   .   49   .   N   .   49   .   HN   parsed_1op1   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.9000   .   .   .   .   .   51   .   N   .   51   .   HN   parsed_1op1   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.4000   .   .   .   .   .   52   .   N   .   52   .   HN   parsed_1op1   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.6000   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_1op1   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3000   .   .   .   .   .   55   .   N   .   55   .   HN   parsed_1op1   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.3000   .   .   .   .   .   56   .   N   .   56   .   HN   parsed_1op1   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.3000   .   .   .   .   .   57   .   N   .   57   .   HN   parsed_1op1   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.6000   .   .   .   .   .   58   .   N   .   58   .   HN   parsed_1op1   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.6000   .   .   .   .   .   59   .   N   .   59   .   HN   parsed_1op1   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.1000   .   .   .   .   .   60   .   N   .   60   .   HN   parsed_1op1   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.3000   .   .   .   .   .   61   .   N   .   61   .   HN   parsed_1op1   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.2000   .   .   .   .   .   62   .   N   .   62   .   HN   parsed_1op1   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.3000   .   .   .   .   .   63   .   N   .   63   .   HN   parsed_1op1   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.4000   .   .   .   .   .   64   .   N   .   64   .   HN   parsed_1op1   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.5000   .   .   .   .   .   65   .   N   .   65   .   HN   parsed_1op1   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.3000   .   .   .   .   .   66   .   N   .   66   .   HN   parsed_1op1   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.3000   .   .   .   .   .   67   .   N   .   67   .   HN   parsed_1op1   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.9000   .   .   .   .   .   69   .   N   .   69   .   HN   parsed_1op1   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.3000   .   .   .   .   .   70   .   N   .   70   .   HN   parsed_1op1   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.1000   .   .   .   .   .   71   .   N   .   71   .   HN   parsed_1op1   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.7000   .   .   .   .   .   73   .   N   .   73   .   HN   parsed_1op1   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -27.5000   .   .   .   .   .   74   .   N   .   74   .   HN   parsed_1op1   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.1000   .   .   .   .   .   75   .   N   .   75   .   HN   parsed_1op1   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.6000   .   .   .   .   .   76   .   N   .   76   .   HN   parsed_1op1   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.2000   .   .   .   .   .   77   .   N   .   77   .   HN   parsed_1op1   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.6000   .   .   .   .   .   78   .   N   .   78   .   HN   parsed_1op1   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.1000   .   .   .   .   .   79   .   N   .   79   .   HN   parsed_1op1   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.0000   .   .   .   .   .   81   .   N   .   81   .   HN   parsed_1op1   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.3000   .   .   .   .   .   83   .   N   .   83   .   HN   parsed_1op1   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.7000   .   .   .   .   .   84   .   N   .   84   .   HN   parsed_1op1   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.0000   .   .   .   .   .   85   .   N   .   85   .   HN   parsed_1op1   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.8000   .   .   .   .   .   88   .   N   .   88   .   HN   parsed_1op1   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.0000   .   .   .   .   .   89   .   N   .   89   .   HN   parsed_1op1   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.4000   .   .   .   .   .   90   .   N   .   90   .   HN   parsed_1op1   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5000   .   .   .   .   .   92   .   N   .   92   .   HN   parsed_1op1   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.1000   .   .   .   .   .   93   .   N   .   93   .   HN   parsed_1op1   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.5000   .   .   .   .   .   94   .   N   .   94   .   HN   parsed_1op1   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.3000   .   .   .   .   .   95   .   N   .   95   .   HN   parsed_1op1   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.8000   .   .   .   .   .   96   .   N   .   96   .   HN   parsed_1op1   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.1000   .   .   .   .   .   97   .   N   .   97   .   HN   parsed_1op1   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
6% poly acrylamide gel
;
   2   1   3   24   parsed_1op1   1   
    stop_

save_





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