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
51215 2k5z cing 2-parsed STAR dipolar coupling 9


data_2k5z_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k5z 
    _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_2k5z   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k5z 
    _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   2k5z   "Master copy"    parsed_2k5z   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k5z 
    _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   2k5z.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a            2    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"      "Not applicable"     6   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a            4    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS      5   "dihedral angle"          "Not applicable"      "Not applicable"     6   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a            6    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS      7   "dihedral angle"          "Not applicable"      "Not applicable"     6   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a            8    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS      9   "dihedral angle"          "Not applicable"      "Not applicable"    20   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           10    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     11    distance                 "general distance"     simple             59   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     12    distance                  NOE                   simple             93   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           13    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     14   "dihedral angle"          "Not applicable"      "Not applicable"    28   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           15    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     16    planarity                "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           17    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     18   "dihedral angle"          "Not applicable"      "Not applicable"     5   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           19    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     20   "dihedral angle"          "Not applicable"      "Not applicable"    10   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           21    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     22   "dihedral angle"          "Not applicable"      "Not applicable"     5   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           23    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     24   "dihedral angle"          "Not applicable"      "Not applicable"     5   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           25    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     26   "dipolar coupling"        "Not applicable"      "Not applicable"    89   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           27    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     28   "dipolar coupling"        "Not applicable"      "Not applicable"     9   parsed_2k5z   1   
        1   2k5z.mr   .   .    XPLOR/CNS     29    distance                  NOE                   simple              0   parsed_2k5z   1   
        1   2k5z.mr   .   .    n/a           30    comment                  "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
        1   2k5z.mr   .   .   "MR format"    31   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2k5z   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_28
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2k5z 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            28 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   14.36   .   .   .   .   APIC    5   .   N3   APIC    5   .   H3   parsed_2k5z   1   
        2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.14   .   .   .   .   APIC    9   .   N3   APIC    9   .   H3   parsed_2k5z   1   
        3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   14.16   .   .   .   .   APIC   13   .   N3   APIC   13   .   H3   parsed_2k5z   1   
        4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   17.02   .   .   .   .   APIC   17   .   N1   APIC   17   .   H1   parsed_2k5z   1   
        5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.56   .   .   .   .   APIC   20   .   N1   APIC   20   .   H1   parsed_2k5z   1   
        6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.73   .   .   .   .   APIC   21   .   N3   APIC   21   .   H3   parsed_2k5z   1   
        7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   21.81   .   .   .   .   APIC   22   .   N1   APIC   22   .   H1   parsed_2k5z   1   
        8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.32   .   .   .   .   APIC   23   .   N3   APIC   23   .   H3   parsed_2k5z   1   
        9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   12.76   .   .   .   .   APIC   26   .   N1   APIC   26   .   H1   parsed_2k5z   1   
    stop_

save_





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