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
39229 1sse cing 2-parsed STAR dipolar coupling 92


data_1sse_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1sse 
    _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_1sse   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1sse 
    _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   1sse   "Master copy"    parsed_1sse   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1sse 
    _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   1sse.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1sse   1   
        1   1sse.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1116   parsed_1sse   1   
        1   1sse.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               54   parsed_1sse   1   
        1   1sse.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      95   parsed_1sse   1   
        1   1sse.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"       0   parsed_1sse   1   
        1   1sse.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"      92   parsed_1sse   1   
        1   1sse.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1sse   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_6
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1sse 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.8650    -4.3650   -1.3650   .   .   .   300   .   N    .   300   .   HN   parsed_1sse   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9440    -3.4440   -0.4440   .   .   .   304   .   N    .   304   .   HN   parsed_1sse   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.6330     2.1330    5.1330   .   .   .   305   .   N    .   305   .   HN   parsed_1sse   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.1070     3.6070    6.6070   .   .   .   306   .   N    .   306   .   HN   parsed_1sse   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.9700    -4.4700   -1.4700   .   .   .   307   .   N    .   307   .   HN   parsed_1sse   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0440    -2.5440    0.4560   .   .   .   308   .   N    .   308   .   HN   parsed_1sse   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.4200    -1.9200    1.0800   .   .   .   310   .   N    .   310   .   HN   parsed_1sse   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2230     2.7230    5.7230   .   .   .   596   .   N    .   596   .   HN   parsed_1sse   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.5660     5.0660    8.0660   .   .   .   597   .   N    .   597   .   HN   parsed_1sse   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.2650    -4.7650   -1.7650   .   .   .   603   .   N    .   603   .   HN   parsed_1sse   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.3150     1.8150    4.8150   .   .   .   604   .   N    .   604   .   HN   parsed_1sse   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.5190     1.0190    4.0190   .   .   .   605   .   N    .   605   .   HN   parsed_1sse   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.1880    -2.6880    0.3120   .   .   .   606   .   N    .   606   .   HN   parsed_1sse   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8060    -3.3060   -0.3060   .   .   .   607   .   N    .   607   .   HN   parsed_1sse   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.6970     2.1970    5.1970   .   .   .   608   .   N    .   608   .   HN   parsed_1sse   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.5590     4.0590    7.0590   .   .   .   612   .   N    .   612   .   HN   parsed_1sse   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.2560     1.7560    4.7560   .   .   .   614   .   N    .   614   .   HN   parsed_1sse   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.5850    -7.0850   -4.0850   .   .   .   615   .   N    .   615   .   HN   parsed_1sse   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.1710   -10.6710   -7.6710   .   .   .   616   .   N    .   616   .   HN   parsed_1sse   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.2540    -7.7540   -4.7540   .   .   .   617   .   N    .   617   .   HN   parsed_1sse   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.1110    -2.6110    0.3890   .   .   .   618   .   N    .   618   .   HN   parsed_1sse   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.4870    -5.9870   -2.9870   .   .   .   619   .   N    .   619   .   HN   parsed_1sse   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.8130   -11.3130   -8.3130   .   .   .   620   .   N    .   620   .   HN   parsed_1sse   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.7580    -8.2580   -5.2580   .   .   .   621   .   N    .   621   .   HN   parsed_1sse   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7480    -0.7520    2.2480   .   .   .   622   .   N    .   622   .   HN   parsed_1sse   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.3270    -8.8270   -5.8270   .   .   .   623   .   N    .   623   .   HN   parsed_1sse   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.3020   -10.8020   -7.8020   .   .   .   624   .   N    .   624   .   HN   parsed_1sse   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.6910    -3.1910   -0.1910   .   .   .   625   .   N    .   625   .   HN   parsed_1sse   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.5960    -9.0960   -6.0960   .   .   .   627   .   N    .   627   .   HN   parsed_1sse   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.5430     5.0430    8.0430   .   .   .   628   .   N    .   628   .   HN   parsed_1sse   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4070     0.9070    3.9070   .   .   .   629   .   N    .   629   .   HN   parsed_1sse   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.3060    -7.8060   -4.8060   .   .   .   630   .   N    .   630   .   HN   parsed_1sse   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.3740    -9.8740   -6.8740   .   .   .   631   .   N    .   631   .   HN   parsed_1sse   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8500    -3.3500   -0.3500   .   .   .   633   .   N    .   633   .   HN   parsed_1sse   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.6750   -10.1750   -7.1750   .   .   .   634   .   N    .   634   .   HN   parsed_1sse   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.9850     3.4850    6.4850   .   .   .   635   .   N    .   635   .   HN   parsed_1sse   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.7140     4.2140    7.2140   .   .   .   636   .   N    .   636   .   HN   parsed_1sse   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.6060     5.1060    8.1060   .   .   .   637   .   N    .   637   .   HN   parsed_1sse   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.0000    -6.5000   -3.5000   .   .   .   638   .   N    .   638   .   HN   parsed_1sse   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.6060    -8.1060   -5.1060   .   .   .   639   .   N    .   639   .   HN   parsed_1sse   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9020    -3.4020   -0.4020   .   .   .   640   .   N    .   640   .   HN   parsed_1sse   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.7720    -9.2720   -6.2720   .   .   .   642   .   N    .   642   .   HN   parsed_1sse   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.9220    -6.4220   -3.4220   .   .   .   643   .   N    .   643   .   HN   parsed_1sse   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.7960    -5.2960   -2.2960   .   .   .   644   .   N    .   644   .   HN   parsed_1sse   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.6250   -10.1250   -7.1250   .   .   .   645   .   N    .   645   .   HN   parsed_1sse   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.9510    -8.4510   -5.4510   .   .   .   646   .   N    .   646   .   HN   parsed_1sse   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.3710    -2.8710    0.1290   .   .   .   647   .   N    .   647   .   HN   parsed_1sse   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.3620    -2.8620    0.1380   .   .   .   648   .   N    .   648   .   HN   parsed_1sse   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.0280    -6.5280   -3.5280   .   .   .   649   .   N    .   649   .   HN   parsed_1sse   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9426     0.4426    3.4426   .   .   .   294   .   CA   .   294   .   HA   parsed_1sse   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3409    -0.1591    2.8409   .   .   .   295   .   CA   .   295   .   HA   parsed_1sse   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2352     2.7352    5.7352   .   .   .   301   .   CA   .   301   .   HA   parsed_1sse   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2297     2.7297    5.7297   .   .   .   305   .   CA   .   305   .   HA   parsed_1sse   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.2895     2.7895    5.7895   .   .   .   306   .   CA   .   306   .   HA   parsed_1sse   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.2986    -0.2014    2.7986   .   .   .   307   .   CA   .   307   .   HA   parsed_1sse   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4858     0.9858    3.9858   .   .   .   308   .   CA   .   308   .   HA   parsed_1sse   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.7858     3.2858    6.2858   .   .   .   309   .   CA   .   309   .   HA   parsed_1sse   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.8598    -4.3598   -1.3598   .   .   .   310   .   CA   .   310   .   HA   parsed_1sse   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.1500    -1.3500    1.6500   .   .   .   311   .   CA   .   311   .   HA   parsed_1sse   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8000     1.3000    4.3000   .   .   .   596   .   CA   .   596   .   HA   parsed_1sse   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.8117     6.3117    9.3117   .   .   .   597   .   CA   .   597   .   HA   parsed_1sse   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.6921     5.1921    8.1921   .   .   .   600   .   CA   .   600   .   HA   parsed_1sse   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0658    -2.5658    0.4342   .   .   .   601   .   CA   .   601   .   HA   parsed_1sse   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.0891     6.5891    9.5891   .   .   .   604   .   CA   .   604   .   HA   parsed_1sse   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2378    -1.7378    1.2622   .   .   .   605   .   CA   .   605   .   HA   parsed_1sse   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0575    -0.4425    2.5575   .   .   .   609   .   CA   .   609   .   HA   parsed_1sse   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   11.0648     9.5648   12.5648   .   .   .   618   .   CA   .   618   .   HA   parsed_1sse   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.7150    -5.2150   -2.2150   .   .   .   619   .   CA   .   619   .   HA   parsed_1sse   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.8211    -2.3211    0.6789   .   .   .   621   .   CA   .   621   .   HA   parsed_1sse   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.0867     4.5867    7.5867   .   .   .   622   .   CA   .   622   .   HA   parsed_1sse   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.9474    -9.4474   -6.4474   .   .   .   623   .   CA   .   623   .   HA   parsed_1sse   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.5520    -0.9480    2.0520   .   .   .   624   .   CA   .   624   .   HA   parsed_1sse   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.4177    -1.9177    1.0823   .   .   .   625   .   CA   .   625   .   HA   parsed_1sse   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4030    -1.0970    1.9030   .   .   .   629   .   CA   .   629   .   HA   parsed_1sse   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6243    -4.1243   -1.1243   .   .   .   630   .   CA   .   630   .   HA   parsed_1sse   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.0746     1.5746    4.5746   .   .   .   631   .   CA   .   631   .   HA   parsed_1sse   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.1689     0.6689    3.6689   .   .   .   633   .   CA   .   633   .   HA   parsed_1sse   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9803     0.4803    3.4803   .   .   .   633   .   CA   .   633   .   HA   parsed_1sse   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4481     0.9481    3.9481   .   .   .   634   .   CA   .   634   .   HA   parsed_1sse   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.2393     0.7393    3.7393   .   .   .   635   .   CA   .   635   .   HA   parsed_1sse   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4977    -1.0023    1.9977   .   .   .   637   .   CA   .   637   .   HA   parsed_1sse   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.6255   -10.1255   -7.1255   .   .   .   638   .   CA   .   638   .   HA   parsed_1sse   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.9795     3.4795    6.4795   .   .   .   639   .   CA   .   639   .   HA   parsed_1sse   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9366     0.4366    3.4366   .   .   .   640   .   CA   .   640   .   HA   parsed_1sse   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0111    -2.5111    0.4889   .   .   .   641   .   CA   .   641   .   HA   parsed_1sse   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.9684    -4.4684   -1.4684   .   .   .   642   .   CA   .   642   .   HA   parsed_1sse   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.3304     1.8304    4.8304   .   .   .   643   .   CA   .   643   .   HA   parsed_1sse   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.0637     3.5637    6.5637   .   .   .   644   .   CA   .   644   .   HA   parsed_1sse   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.5711    -9.0711   -6.0711   .   .   .   645   .   CA   .   645   .   HA   parsed_1sse   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.2949    -1.2051    1.7949   .   .   .   646   .   CA   .   646   .   HA   parsed_1sse   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.5503     2.0503    5.0503   .   .   .   648   .   CA   .   648   .   HA   parsed_1sse   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.4582    -2.9582    0.0418   .   .   .   649   .   CA   .   649   .   HA   parsed_1sse   1   
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