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
496316 2l7k 17359 cing 2-parsed STAR dipolar coupling 39


data_2l7k_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2l7k 
    _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_2l7k   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2l7k 
    _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   2l7k   "Master copy"    parsed_2l7k   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2l7k 
    _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   2l7k.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2l7k   1   
        1   2l7k.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1630   parsed_2l7k   1   
        1   2l7k.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      72   parsed_2l7k   1   
        1   2l7k.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      40   parsed_2l7k   1   
        1   2l7k.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"      39   parsed_2l7k   1   
        1   2l7k.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2l7k   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2l7k 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.3200   .   .   .   .   .    3   .   N   .    3   .   HN   parsed_2l7k   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.6000   .   .   .   .   .    4   .   N   .    4   .   HN   parsed_2l7k   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.1600   .   .   .   .   .    5   .   N   .    5   .   HN   parsed_2l7k   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.2600   .   .   .   .   .    6   .   N   .    6   .   HN   parsed_2l7k   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.7000   .   .   .   .   .    8   .   N   .    8   .   HN   parsed_2l7k   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.7000   .   .   .   .   .    9   .   N   .    9   .   HN   parsed_2l7k   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.9500   .   .   .   .   .   10   .   N   .   10   .   HN   parsed_2l7k   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.6200   .   .   .   .   .   11   .   N   .   11   .   HN   parsed_2l7k   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.8400   .   .   .   .   .   12   .   N   .   12   .   HN   parsed_2l7k   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.5400   .   .   .   .   .   13   .   N   .   13   .   HN   parsed_2l7k   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.0600   .   .   .   .   .   14   .   N   .   14   .   HN   parsed_2l7k   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.3600   .   .   .   .   .   17   .   N   .   17   .   HN   parsed_2l7k   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.1900   .   .   .   .   .   18   .   N   .   18   .   HN   parsed_2l7k   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.5100   .   .   .   .   .   19   .   N   .   19   .   HN   parsed_2l7k   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.5100   .   .   .   .   .   20   .   N   .   20   .   HN   parsed_2l7k   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.2700   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_2l7k   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.9900   .   .   .   .   .   22   .   N   .   22   .   HN   parsed_2l7k   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.7700   .   .   .   .   .   23   .   N   .   23   .   HN   parsed_2l7k   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.6100   .   .   .   .   .   24   .   N   .   24   .   HN   parsed_2l7k   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.5800   .   .   .   .   .   25   .   N   .   25   .   HN   parsed_2l7k   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.5600   .   .   .   .   .   36   .   N   .   36   .   HN   parsed_2l7k   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8100   .   .   .   .   .   37   .   N   .   37   .   HN   parsed_2l7k   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.9300   .   .   .   .   .   38   .   N   .   38   .   HN   parsed_2l7k   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.9400   .   .   .   .   .   40   .   N   .   40   .   HN   parsed_2l7k   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.2300   .   .   .   .   .   41   .   N   .   41   .   HN   parsed_2l7k   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.6300   .   .   .   .   .   42   .   N   .   42   .   HN   parsed_2l7k   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.1400   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_2l7k   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.8700   .   .   .   .   .   45   .   N   .   45   .   HN   parsed_2l7k   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.7900   .   .   .   .   .   46   .   N   .   46   .   HN   parsed_2l7k   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.3900   .   .   .   .   .   48   .   N   .   48   .   HN   parsed_2l7k   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.1600   .   .   .   .   .   49   .   N   .   49   .   HN   parsed_2l7k   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.4900   .   .   .   .   .   50   .   N   .   50   .   HN   parsed_2l7k   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.7500   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_2l7k   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.9600   .   .   .   .   .   54   .   N   .   54   .   HN   parsed_2l7k   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6800   .   .   .   .   .   55   .   N   .   55   .   HN   parsed_2l7k   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.6800   .   .   .   .   .   56   .   N   .   56   .   HN   parsed_2l7k   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.0700   .   .   .   .   .   58   .   N   .   58   .   HN   parsed_2l7k   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.5900   .   .   .   .   .   59   .   N   .   59   .   HN   parsed_2l7k   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.4200   .   .   .   .   .   60   .   N   .   60   .   HN   parsed_2l7k   1   
    stop_


    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

        1   
;
class=rdc2
potential=harmonic
forceconstant=0.001
coefficient 0.0 10.1000 0.250000
;
   1   1   4   32   parsed_2l7k   1   
    stop_

save_





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