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
534893 2lni 18166 cing 2-parsed STAR dipolar coupling 61


data_2lni_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lni 
    _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_2lni   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lni 
    _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   2lni   "Master copy"    parsed_2lni   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lni 
    _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   2lni.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lni   1   
        1   2lni.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2834   parsed_2lni   1   
        1   2lni.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     202   parsed_2lni   1   
        1   2lni.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple               76   parsed_2lni   1   
        1   2lni.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"      61   parsed_2lni   1   
        1   2lni.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lni   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lni 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.175   .   .   .   .   .     2   .   N   .     2   .   HN   parsed_2lni   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.877   .   .   .   .   .     6   .   N   .     6   .   HN   parsed_2lni   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.803   .   .   .   .   .    10   .   N   .    10   .   HN   parsed_2lni   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.857   .   .   .   .   .    18   .   N   .    18   .   HN   parsed_2lni   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.266   .   .   .   .   .    21   .   N   .    21   .   HN   parsed_2lni   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.536   .   .   .   .   .    23   .   N   .    23   .   HN   parsed_2lni   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.940   .   .   .   .   .    29   .   N   .    29   .   HN   parsed_2lni   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.427   .   .   .   .   .    30   .   N   .    30   .   HN   parsed_2lni   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.556   .   .   .   .   .    31   .   N   .    31   .   HN   parsed_2lni   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.988   .   .   .   .   .    34   .   N   .    34   .   HN   parsed_2lni   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.887   .   .   .   .   .    37   .   N   .    37   .   HN   parsed_2lni   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.816   .   .   .   .   .    39   .   N   .    39   .   HN   parsed_2lni   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.302   .   .   .   .   .    41   .   N   .    41   .   HN   parsed_2lni   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.813   .   .   .   .   .    43   .   N   .    43   .   HN   parsed_2lni   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.861   .   .   .   .   .    44   .   N   .    44   .   HN   parsed_2lni   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.569   .   .   .   .   .    45   .   N   .    45   .   HN   parsed_2lni   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.978   .   .   .   .   .    46   .   N   .    46   .   HN   parsed_2lni   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   10.170   .   .   .   .   .    49   .   N   .    49   .   HN   parsed_2lni   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.304   .   .   .   .   .    50   .   N   .    50   .   HN   parsed_2lni   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.817   .   .   .   .   .    51   .   N   .    51   .   HN   parsed_2lni   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.036   .   .   .   .   .    53   .   N   .    53   .   HN   parsed_2lni   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.641   .   .   .   .   .    56   .   N   .    56   .   HN   parsed_2lni   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.592   .   .   .   .   .    57   .   N   .    57   .   HN   parsed_2lni   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.569   .   .   .   .   .    59   .   N   .    59   .   HN   parsed_2lni   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.920   .   .   .   .   .    60   .   N   .    60   .   HN   parsed_2lni   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.248   .   .   .   .   .    62   .   N   .    62   .   HN   parsed_2lni   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.553   .   .   .   .   .    63   .   N   .    63   .   HN   parsed_2lni   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.544   .   .   .   .   .    65   .   N   .    65   .   HN   parsed_2lni   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.200   .   .   .   .   .    66   .   N   .    66   .   HN   parsed_2lni   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.742   .   .   .   .   .    69   .   N   .    69   .   HN   parsed_2lni   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.730   .   .   .   .   .    73   .   N   .    73   .   HN   parsed_2lni   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.870   .   .   .   .   .    74   .   N   .    74   .   HN   parsed_2lni   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.846   .   .   .   .   .    78   .   N   .    78   .   HN   parsed_2lni   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.120   .   .   .   .   .    82   .   N   .    82   .   HN   parsed_2lni   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.639   .   .   .   .   .    83   .   N   .    83   .   HN   parsed_2lni   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.792   .   .   .   .   .    84   .   N   .    84   .   HN   parsed_2lni   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.187   .   .   .   .   .    86   .   N   .    86   .   HN   parsed_2lni   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.889   .   .   .   .   .    88   .   N   .    88   .   HN   parsed_2lni   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.396   .   .   .   .   .    90   .   N   .    90   .   HN   parsed_2lni   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.219   .   .   .   .   .    91   .   N   .    91   .   HN   parsed_2lni   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.616   .   .   .   .   .    93   .   N   .    93   .   HN   parsed_2lni   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.434   .   .   .   .   .    95   .   N   .    95   .   HN   parsed_2lni   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.710   .   .   .   .   .    96   .   N   .    96   .   HN   parsed_2lni   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.960   .   .   .   .   .    97   .   N   .    97   .   HN   parsed_2lni   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.172   .   .   .   .   .    99   .   N   .    99   .   HN   parsed_2lni   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.716   .   .   .   .   .   100   .   N   .   100   .   HN   parsed_2lni   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.624   .   .   .   .   .   101   .   N   .   101   .   HN   parsed_2lni   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.898   .   .   .   .   .   107   .   N   .   107   .   HN   parsed_2lni   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.748   .   .   .   .   .   114   .   N   .   114   .   HN   parsed_2lni   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.376   .   .   .   .   .   115   .   N   .   115   .   HN   parsed_2lni   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.690   .   .   .   .   .   117   .   N   .   117   .   HN   parsed_2lni   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.008   .   .   .   .   .   119   .   N   .   119   .   HN   parsed_2lni   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.016   .   .   .   .   .   121   .   N   .   121   .   HN   parsed_2lni   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.059   .   .   .   .   .   122   .   N   .   122   .   HN   parsed_2lni   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.444   .   .   .   .   .   123   .   N   .   123   .   HN   parsed_2lni   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -9.928   .   .   .   .   .   125   .   N   .   125   .   HN   parsed_2lni   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.837   .   .   .   .   .   128   .   N   .   128   .   HN   parsed_2lni   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.135   .   .   .   .   .   129   .   N   .   129   .   HN   parsed_2lni   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.636   .   .   .   .   .   131   .   N   .   131   .   HN   parsed_2lni   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.872   .   .   .   .   .   132   .   N   .   132   .   HN   parsed_2lni   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.609   .   .   .   .   .   133   .   N   .   133   .   HN   parsed_2lni   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 file produced by PDBStat
Version:  5.4-exp Compiled 2011-04-01 on (troberto.site)
;
   1   1   4   2   parsed_2lni   1   
    stop_

save_





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