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
516299 2jmp 15055 cing 2-parsed STAR dipolar coupling 35


data_2jmp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jmp 
    _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_2jmp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jmp 
    _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   2jmp   "Master copy"    parsed_2jmp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jmp 
    _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   2jmp.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2jmp   1   
        1   2jmp.mr   .   .   "MR format"    2   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2jmp   1   
        1   2jmp.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple             50   parsed_2jmp   1   
        1   2jmp.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    46   parsed_2jmp   1   
        1   2jmp.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"    35   parsed_2jmp   1   
        1   2jmp.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_2jmp   1   
        1   2jmp.mr   .   .    XPLOR/CNS     7    distance                  NOE                 simple              0   parsed_2jmp   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2jmp 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.62   .   .   .   .   A    3   .   CA   A    3   .   HA   parsed_2jmp   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.61   .   .   .   .   A    4   .   CA   A    4   .   HA   parsed_2jmp   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.87   .   .   .   .   A    8   .   CA   A    8   .   HA   parsed_2jmp   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.74   .   .   .   .   A    9   .   CA   A    9   .   HA   parsed_2jmp   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.17   .   .   .   .   A   11   .   CA   A   11   .   HA   parsed_2jmp   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.16   .   .   .   .   A   12   .   CA   A   12   .   HA   parsed_2jmp   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.88   .   .   .   .   A   13   .   CA   A   13   .   HA   parsed_2jmp   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.47   .   .   .   .   A   14   .   CA   A   14   .   HA   parsed_2jmp   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.59   .   .   .   .   A   22   .   CA   A   22   .   HA   parsed_2jmp   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.72   .   .   .   .   A   23   .   CA   A   23   .   HA   parsed_2jmp   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.59   .   .   .   .   A   24   .   CA   A   24   .   HA   parsed_2jmp   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.05   .   .   .   .   A   25   .   CA   A   25   .   HA   parsed_2jmp   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.45   .   .   .   .   A   27   .   CA   A   27   .   HA   parsed_2jmp   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.50   .   .   .   .   A   31   .   CA   A   31   .   HA   parsed_2jmp   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.39   .   .   .   .   A   32   .   CA   A   32   .   HA   parsed_2jmp   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.88   .   .   .   .   A   33   .   CA   A   33   .   HA   parsed_2jmp   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.01   .   .   .   .   A   40   .   CA   A   40   .   HA   parsed_2jmp   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.77   .   .   .   .   A   48   .   CA   A   48   .   HA   parsed_2jmp   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.89   .   .   .   .   A   50   .   CA   A   50   .   HA   parsed_2jmp   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.87   .   .   .   .   A   51   .   CA   A   51   .   HA   parsed_2jmp   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.62   .   .   .   .   A   52   .   CA   A   52   .   HA   parsed_2jmp   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.43   .   .   .   .   A   53   .   CA   A   53   .   HA   parsed_2jmp   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.33   .   .   .   .   A   54   .   CA   A   54   .   HA   parsed_2jmp   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.30   .   .   .   .   A   58   .   CA   A   58   .   HA   parsed_2jmp   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.01   .   .   .   .   A   60   .   CA   A   60   .   HA   parsed_2jmp   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.47   .   .   .   .   A   62   .   CA   A   62   .   HA   parsed_2jmp   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.46   .   .   .   .   A   63   .   CA   A   63   .   HA   parsed_2jmp   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.86   .   .   .   .   A   64   .   CA   A   64   .   HA   parsed_2jmp   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.76   .   .   .   .   A   70   .   CA   A   70   .   HA   parsed_2jmp   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.45   .   .   .   .   A   72   .   CA   A   72   .   HA   parsed_2jmp   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.29   .   .   .   .   A   73   .   CA   A   73   .   HA   parsed_2jmp   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.30   .   .   .   .   A   78   .   CA   A   78   .   HA   parsed_2jmp   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.02   .   .   .   .   A   81   .   CA   A   81   .   HA   parsed_2jmp   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.17   .   .   .   .   A   84   .   CA   A   84   .   HA   parsed_2jmp   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.73   .   .   .   .   A   85   .   CA   A   85   .   HA   parsed_2jmp   1   
    stop_

save_





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