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
640589 6o1q 30575 cing 2-parsed STAR dipolar coupling 48


data_6o1q_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6o1q 
    _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_6o1q   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6o1q 
    _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   6o1q   "Master copy"    parsed_6o1q   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6o1q 
    _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   6o1q.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_6o1q   1   
        1   6o1q.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"     181   parsed_6o1q   1   
        1   6o1q.mr   .   .    XPLOR/CNS     3    distance                  NOE                 ambi               1415   parsed_6o1q   1   
        1   6o1q.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               22   parsed_6o1q   1   
        1   6o1q.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"      48   parsed_6o1q   1   
        1   6o1q.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_6o1q   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_6o1q 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.76   .   .   .   .   .    32   .   HN   .    32   .   N   parsed_6o1q   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.75   .   .   .   .   .    33   .   HN   .    33   .   N   parsed_6o1q   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.43   .   .   .   .   .    21   .   HN   .    21   .   N   parsed_6o1q   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.88   .   .   .   .   .    63   .   HN   .    63   .   N   parsed_6o1q   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.47   .   .   .   .   .   102   .   HN   .   102   .   N   parsed_6o1q   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.75   .   .   .   .   .    26   .   HN   .    26   .   N   parsed_6o1q   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.36   .   .   .   .   .    18   .   HN   .    18   .   N   parsed_6o1q   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.95   .   .   .   .   .    44   .   HN   .    44   .   N   parsed_6o1q   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.96   .   .   .   .   .    55   .   HN   .    55   .   N   parsed_6o1q   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2    .   .   .   .   .    27   .   HN   .    27   .   N   parsed_6o1q   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.98   .   .   .   .   .    95   .   HN   .    95   .   N   parsed_6o1q   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.77   .   .   .   .   .   108   .   HN   .   108   .   N   parsed_6o1q   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.99   .   .   .   .   .    20   .   HN   .    20   .   N   parsed_6o1q   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.38   .   .   .   .   .    92   .   HN   .    92   .   N   parsed_6o1q   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.18   .   .   .   .   .   103   .   HN   .   103   .   N   parsed_6o1q   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.91   .   .   .   .   .    31   .   HN   .    31   .   N   parsed_6o1q   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.84   .   .   .   .   .    35   .   HN   .    35   .   N   parsed_6o1q   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.0    .   .   .   .   .   107   .   HN   .   107   .   N   parsed_6o1q   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.6    .   .   .   .   .    87   .   HN   .    87   .   N   parsed_6o1q   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.03   .   .   .   .   .    29   .   HN   .    29   .   N   parsed_6o1q   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.53   .   .   .   .   .    65   .   HN   .    65   .   N   parsed_6o1q   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.95   .   .   .   .   .    50   .   HN   .    50   .   N   parsed_6o1q   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.03   .   .   .   .   .    64   .   HN   .    64   .   N   parsed_6o1q   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.66   .   .   .   .   .    97   .   HN   .    97   .   N   parsed_6o1q   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.32   .   .   .   .   .    58   .   HN   .    58   .   N   parsed_6o1q   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.59   .   .   .   .   .    52   .   HN   .    52   .   N   parsed_6o1q   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.08   .   .   .   .   .    56   .   HN   .    56   .   N   parsed_6o1q   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.11   .   .   .   .   .   101   .   HN   .   101   .   N   parsed_6o1q   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.59   .   .   .   .   .    45   .   HN   .    45   .   N   parsed_6o1q   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.53   .   .   .   .   .    66   .   HN   .    66   .   N   parsed_6o1q   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.86   .   .   .   .   .    62   .   HN   .    62   .   N   parsed_6o1q   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.87   .   .   .   .   .    54   .   HN   .    54   .   N   parsed_6o1q   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.63   .   .   .   .   .    68   .   HN   .    68   .   N   parsed_6o1q   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.86   .   .   .   .   .    17   .   HN   .    17   .   N   parsed_6o1q   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.08   .   .   .   .   .    30   .   HN   .    30   .   N   parsed_6o1q   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.36   .   .   .   .   .   100   .   HN   .   100   .   N   parsed_6o1q   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.97   .   .   .   .   .    28   .   HN   .    28   .   N   parsed_6o1q   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.36   .   .   .   .   .    59   .   HN   .    59   .   N   parsed_6o1q   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.36   .   .   .   .   .   104   .   HN   .   104   .   N   parsed_6o1q   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.66   .   .   .   .   .    53   .   HN   .    53   .   N   parsed_6o1q   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.82   .   .   .   .   .    22   .   HN   .    22   .   N   parsed_6o1q   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.53   .   .   .   .   .    23   .   HN   .    23   .   N   parsed_6o1q   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.48   .   .   .   .   .    96   .   HN   .    96   .   N   parsed_6o1q   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.71   .   .   .   .   .    36   .   HN   .    36   .   N   parsed_6o1q   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.71   .   .   .   .   .    51   .   HN   .    51   .   N   parsed_6o1q   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.53   .   .   .   .   .    47   .   HN   .    47   .   N   parsed_6o1q   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.18   .   .   .   .   .    98   .   HN   .    98   .   N   parsed_6o1q   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.93   .   .   .   .   .    34   .   HN   .    34   .   N   parsed_6o1q   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   "# Restraints file 7: rdc1_48.tbl"    1   1   1   32   parsed_6o1q   1   
    stop_

save_





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