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
48842 2jor 15192 cing 2-parsed STAR dipolar coupling 39


data_2jor_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jor 
    _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_2jor   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jor 
    _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   2jor   "Master copy"    parsed_2jor   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jor 
    _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   2jor.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             299   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"    "Not applicable"     32   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"     39   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               0   parsed_2jor   1   
        1   2jor.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_2jor   1   
        1   2jor.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2jor   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_4
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2jor 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            4 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.323   -50.323   -0.323   .   .   .    3   .   N   .    3   .   HN   parsed_2jor   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.324     0.324   50.324   .   .   .    4   .   N   .    4   .   HN   parsed_2jor   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.662     0.662   50.662   .   .   .    5   .   N   .    5   .   HN   parsed_2jor   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.044     1.044   51.044   .   .   .    6   .   N   .    6   .   HN   parsed_2jor   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.083     1.083   51.083   .   .   .    7   .   N   .    7   .   HN   parsed_2jor   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.960     0.960   50.960   .   .   .    8   .   N   .    8   .   HN   parsed_2jor   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.733     0.733   50.733   .   .   .    9   .   N   .    9   .   HN   parsed_2jor   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.814     2.814   52.814   .   .   .   10   .   N   .   10   .   HN   parsed_2jor   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.324     2.324   52.324   .   .   .   11   .   N   .   11   .   HN   parsed_2jor   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.709     4.709   54.709   .   .   .   12   .   N   .   12   .   HN   parsed_2jor   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.752     5.752   55.752   .   .   .   13   .   N   .   13   .   HN   parsed_2jor   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.878     6.878   56.878   .   .   .   14   .   N   .   14   .   HN   parsed_2jor   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.597   -50.597   -0.597   .   .   .   49   .   N   .   49   .   HN   parsed_2jor   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.047     4.047   54.047   .   .   .   50   .   N   .   50   .   HN   parsed_2jor   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.453     7.453   57.453   .   .   .   51   .   N   .   51   .   HN   parsed_2jor   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.405     0.405   50.405   .   .   .   52   .   N   .   52   .   HN   parsed_2jor   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.170     0.170   50.170   .   .   .   53   .   N   .   53   .   HN   parsed_2jor   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.735     0.735   50.735   .   .   .   54   .   N   .   54   .   HN   parsed_2jor   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.479   -50.479   -0.479   .   .   .   56   .   N   .   56   .   HN   parsed_2jor   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.121     3.121   53.121   .   .   .   57   .   N   .   57   .   HN   parsed_2jor   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.615     5.615   55.615   .   .   .   58   .   N   .   58   .   HN   parsed_2jor   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.430     5.430   55.430   .   .   .   59   .   N   .   59   .   HN   parsed_2jor   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.922     2.922   52.922   .   .   .   60   .   N   .   60   .   HN   parsed_2jor   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.409     7.409   57.409   .   .   .   62   .   N   .   62   .   HN   parsed_2jor   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.663     3.663   53.663   .   .   .   63   .   N   .   63   .   HN   parsed_2jor   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.390   -50.390   -0.390   .   .   .   64   .   N   .   64   .   HN   parsed_2jor   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.458     2.458   52.458   .   .   .   65   .   N   .   65   .   HN   parsed_2jor   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.276     0.276   50.276   .   .   .   66   .   N   .   66   .   HN   parsed_2jor   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.175     0.175   50.175   .   .   .   67   .   N   .   67   .   HN   parsed_2jor   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.054     1.054   51.054   .   .   .   69   .   N   .   69   .   HN   parsed_2jor   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.207   -51.207   -1.207   .   .   .   70   .   N   .   70   .   HN   parsed_2jor   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.793     1.793   51.793   .   .   .   71   .   N   .   71   .   HN   parsed_2jor   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.449   -51.449   -1.449   .   .   .   72   .   N   .   72   .   HN   parsed_2jor   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.483     4.483   54.483   .   .   .   73   .   N   .   73   .   HN   parsed_2jor   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.806     2.806   52.806   .   .   .   74   .   N   .   74   .   HN   parsed_2jor   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.814     4.814   54.814   .   .   .   75   .   N   .   75   .   HN   parsed_2jor   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.687   -50.687   -0.687   .   .   .   77   .   N   .   77   .   HN   parsed_2jor   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.645     0.645   50.645   .   .   .   78   .   N   .   78   .   HN   parsed_2jor   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.410     0.410   50.410   .   .   .   79   .   N   .   79   .   HN   parsed_2jor   1   
    stop_

save_





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