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
515778 1yjj cing 2-parsed STAR dipolar coupling 78


data_1yjj_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1yjj 
    _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_1yjj   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1yjj 
    _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   1yjj   "Master copy"    parsed_1yjj   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1yjj 
    _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   1yjj.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"       0   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     2    distance                 "general distance"     simple               28   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     3    distance                  NOE                   simple             1223   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"        simple               34   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"      "Not applicable"     160   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     6   "dipolar coupling"        "Not applicable"      "Not applicable"      77   parsed_1yjj   1   
        1   1yjj.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"      "Not applicable"      78   parsed_1yjj   1   
        1   1yjj.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_1yjj   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1yjj 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            7 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.7500   .   .   .   .   .     2   .   N     .     2   .   HN    parsed_1yjj   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.0500   .   .   .   .   .     3   .   N     .     3   .   HN    parsed_1yjj   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.1000   .   .   .   .   .     4   .   N     .     4   .   HN    parsed_1yjj   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.9800   .   .   .   .   .     5   .   N     .     5   .   HN    parsed_1yjj   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.1700   .   .   .   .   .     6   .   N     .     6   .   HN    parsed_1yjj   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.1900   .   .   .   .   .     7   .   N     .     7   .   HN    parsed_1yjj   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.9200   .   .   .   .   .     8   .   N     .     8   .   HN    parsed_1yjj   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.0300   .   .   .   .   .     9   .   N     .     9   .   HN    parsed_1yjj   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.4300   .   .   .   .   .    10   .   N     .    10   .   HN    parsed_1yjj   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.5900   .   .   .   .   .    11   .   N     .    11   .   HN    parsed_1yjj   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.6900   .   .   .   .   .    12   .   N     .    12   .   HN    parsed_1yjj   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.7400   .   .   .   .   .    13   .   N     .    13   .   HN    parsed_1yjj   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.3100   .   .   .   .   .    14   .   N     .    14   .   HN    parsed_1yjj   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.2300   .   .   .   .   .    15   .   N     .    15   .   HN    parsed_1yjj   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.2800   .   .   .   .   .    16   .   N     .    16   .   HN    parsed_1yjj   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.1200   .   .   .   .   .    17   .   N     .    17   .   HN    parsed_1yjj   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.0400   .   .   .   .   .    18   .   N     .    18   .   HN    parsed_1yjj   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.1800   .   .   .   .   .    19   .   N     .    19   .   HN    parsed_1yjj   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.7100   .   .   .   .   .    20   .   N     .    20   .   HN    parsed_1yjj   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.1300   .   .   .   .   .    21   .   N     .    21   .   HN    parsed_1yjj   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.6600   .   .   .   .   .    22   .   N     .    22   .   HN    parsed_1yjj   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.6900   .   .   .   .   .    23   .   N     .    23   .   HN    parsed_1yjj   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.3700   .   .   .   .   .    26   .   N     .    26   .   HN    parsed_1yjj   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.5800   .   .   .   .   .    27   .   N     .    27   .   HN    parsed_1yjj   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4800   .   .   .   .   .    28   .   N     .    28   .   HN    parsed_1yjj   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.8700   .   .   .   .   .    29   .   N     .    29   .   HN    parsed_1yjj   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.9400   .   .   .   .   .    30   .   N     .    30   .   HN    parsed_1yjj   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.0700   .   .   .   .   .    31   .   N     .    31   .   HN    parsed_1yjj   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.5500   .   .   .   .   .    33   .   N     .    33   .   HN    parsed_1yjj   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.3300   .   .   .   .   .    34   .   N     .    34   .   HN    parsed_1yjj   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.9700   .   .   .   .   .    35   .   N     .    35   .   HN    parsed_1yjj   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.8800   .   .   .   .   .    50   .   N     .    50   .   HN    parsed_1yjj   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.4800   .   .   .   .   .    51   .   N     .    51   .   HN    parsed_1yjj   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.9300   .   .   .   .   .    52   .   N     .    52   .   HN    parsed_1yjj   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.1100   .   .   .   .   .    53   .   N     .    53   .   HN    parsed_1yjj   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.2300   .   .   .   .   .    54   .   N     .    54   .   HN    parsed_1yjj   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.6600   .   .   .   .   .    55   .   N     .    55   .   HN    parsed_1yjj   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.9300   .   .   .   .   .    56   .   N     .    56   .   HN    parsed_1yjj   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.9500   .   .   .   .   .    57   .   N     .    57   .   HN    parsed_1yjj   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.6100   .   .   .   .   .    58   .   N     .    58   .   HN    parsed_1yjj   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.2400   .   .   .   .   .    60   .   N     .    60   .   HN    parsed_1yjj   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.0700   .   .   .   .   .    62   .   N     .    62   .   HN    parsed_1yjj   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.8400   .   .   .   .   .    63   .   N     .    63   .   HN    parsed_1yjj   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.1700   .   .   .   .   .    64   .   N     .    64   .   HN    parsed_1yjj   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.1800   .   .   .   .   .    65   .   N     .    65   .   HN    parsed_1yjj   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.3100   .   .   .   .   .    66   .   N     .    66   .   HN    parsed_1yjj   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.6300   .   .   .   .   .    67   .   N     .    67   .   HN    parsed_1yjj   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.3600   .   .   .   .   .    68   .   N     .    68   .   HN    parsed_1yjj   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.2500   .   .   .   .   .    69   .   N     .    69   .   HN    parsed_1yjj   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.8900   .   .   .   .   .    70   .   N     .    70   .   HN    parsed_1yjj   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.4100   .   .   .   .   .    72   .   N     .    72   .   HN    parsed_1yjj   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.6100   .   .   .   .   .    73   .   N     .    73   .   HN    parsed_1yjj   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.7000   .   .   .   .   .    74   .   N     .    74   .   HN    parsed_1yjj   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.1700   .   .   .   .   .    75   .   N     .    75   .   HN    parsed_1yjj   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.5200   .   .   .   .   .    76   .   N     .    76   .   HN    parsed_1yjj   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.0100   .   .   .   .   .    77   .   N     .    77   .   HN    parsed_1yjj   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.1700   .   .   .   .   .    78   .   N     .    78   .   HN    parsed_1yjj   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.0600   .   .   .   .   .    81   .   N     .    81   .   HN    parsed_1yjj   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.0900   .   .   .   .   .    82   .   N     .    82   .   HN    parsed_1yjj   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.4800   .   .   .   .   .    83   .   N     .    83   .   HN    parsed_1yjj   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.2800   .   .   .   .   .    88   .   N     .    88   .   HN    parsed_1yjj   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.4400   .   .   .   .   .    89   .   N     .    89   .   HN    parsed_1yjj   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.1200   .   .   .   .   .    90   .   N     .    90   .   HN    parsed_1yjj   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.4600   .   .   .   .   .    91   .   N     .    91   .   HN    parsed_1yjj   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.0800   .   .   .   .   .    93   .   N     .    93   .   HN    parsed_1yjj   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.6800   .   .   .   .   .    94   .   N     .    94   .   HN    parsed_1yjj   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.0700   .   .   .   .   .    95   .   N     .    95   .   HN    parsed_1yjj   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8800   .   .   .   .   .    96   .   N     .    96   .   HN    parsed_1yjj   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.0400   .   .   .   .   .    97   .   N     .    97   .   HN    parsed_1yjj   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.8800   .   .   .   .   .    98   .   N     .    98   .   HN    parsed_1yjj   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.9700   .   .   .   .   .    99   .   N     .    99   .   HN    parsed_1yjj   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.3600   .   .   .   .   .   100   .   N     .   100   .   HN    parsed_1yjj   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.7600   .   .   .   .   .   101   .   N     .   101   .   HN    parsed_1yjj   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.9400   .   .   .   .   .   103   .   N     .   103   .   HN    parsed_1yjj   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.8000   .   .   .   .   .   104   .   N     .   104   .   HN    parsed_1yjj   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.7900   .   .   .   .   .   105   .   N     .   105   .   HN    parsed_1yjj   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.8800   .   .   .   .   .   106   .   N     .   106   .   HN    parsed_1yjj   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.0400   .   .   .   .   .   106   .   NE1   .   106   .   HE1   parsed_1yjj   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1   "! RDC constraints - Phage"    1   1   1   27   parsed_1yjj   1   
    stop_

save_





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