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
32824 1h4b 5707 cing 2-parsed STAR dipolar coupling 61


data_1h4b_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1h4b 
    _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_1h4b   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1h4b 
    _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   1h4b   "Master copy"    parsed_1h4b   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1h4b 
    _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   1h4b.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1269   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple                8   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              165   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple               44   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     6   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1h4b   1   
        1   1h4b.mr   .   .    XPLOR/CNS     7   "dipolar coupling"        "Not applicable"    "Not applicable"      61   parsed_1h4b   1   
        1   1h4b.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1h4b   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_7
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1h4b 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.13   .   .   .   .   .    9   .   N   .    9   .   HN   parsed_1h4b   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.65   .   .   .   .   .   10   .   N   .   10   .   HN   parsed_1h4b   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.96   .   .   .   .   .   11   .   N   .   11   .   HN   parsed_1h4b   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.46   .   .   .   .   .   12   .   N   .   12   .   HN   parsed_1h4b   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.60   .   .   .   .   .   13   .   N   .   13   .   HN   parsed_1h4b   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -15.00   .   .   .   .   .   14   .   N   .   14   .   HN   parsed_1h4b   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.02   .   .   .   .   .   15   .   N   .   15   .   HN   parsed_1h4b   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.44   .   .   .   .   .   17   .   N   .   17   .   HN   parsed_1h4b   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.25   .   .   .   .   .   20   .   N   .   20   .   HN   parsed_1h4b   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.97   .   .   .   .   .   21   .   N   .   21   .   HN   parsed_1h4b   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.24   .   .   .   .   .   22   .   N   .   22   .   HN   parsed_1h4b   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.34   .   .   .   .   .   23   .   N   .   23   .   HN   parsed_1h4b   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.83   .   .   .   .   .   24   .   N   .   24   .   HN   parsed_1h4b   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.91   .   .   .   .   .   25   .   N   .   25   .   HN   parsed_1h4b   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.09   .   .   .   .   .   26   .   N   .   26   .   HN   parsed_1h4b   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.93   .   .   .   .   .   27   .   N   .   27   .   HN   parsed_1h4b   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.74   .   .   .   .   .   28   .   N   .   28   .   HN   parsed_1h4b   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.81   .   .   .   .   .   29   .   N   .   29   .   HN   parsed_1h4b   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.70   .   .   .   .   .   31   .   N   .   31   .   HN   parsed_1h4b   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.59   .   .   .   .   .   32   .   N   .   32   .   HN   parsed_1h4b   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.49   .   .   .   .   .   33   .   N   .   33   .   HN   parsed_1h4b   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.51   .   .   .   .   .   34   .   N   .   34   .   HN   parsed_1h4b   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.46   .   .   .   .   .   35   .   N   .   35   .   HN   parsed_1h4b   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.99   .   .   .   .   .   36   .   N   .   36   .   HN   parsed_1h4b   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.21   .   .   .   .   .   37   .   N   .   37   .   HN   parsed_1h4b   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.34   .   .   .   .   .   38   .   N   .   38   .   HN   parsed_1h4b   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.06   .   .   .   .   .   42   .   N   .   42   .   HN   parsed_1h4b   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.29   .   .   .   .   .   44   .   N   .   44   .   HN   parsed_1h4b   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.49   .   .   .   .   .   45   .   N   .   45   .   HN   parsed_1h4b   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.23   .   .   .   .   .   47   .   N   .   47   .   HN   parsed_1h4b   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.43   .   .   .   .   .   48   .   N   .   48   .   HN   parsed_1h4b   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.33   .   .   .   .   .   50   .   N   .   50   .   HN   parsed_1h4b   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.07   .   .   .   .   .   51   .   N   .   51   .   HN   parsed_1h4b   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.17   .   .   .   .   .   52   .   N   .   52   .   HN   parsed_1h4b   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.06   .   .   .   .   .   53   .   N   .   53   .   HN   parsed_1h4b   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.02   .   .   .   .   .   54   .   N   .   54   .   HN   parsed_1h4b   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.16   .   .   .   .   .   56   .   N   .   56   .   HN   parsed_1h4b   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.89   .   .   .   .   .   57   .   N   .   57   .   HN   parsed_1h4b   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.37   .   .   .   .   .   58   .   N   .   58   .   HN   parsed_1h4b   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.06   .   .   .   .   .   59   .   N   .   59   .   HN   parsed_1h4b   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.80   .   .   .   .   .   60   .   N   .   60   .   HN   parsed_1h4b   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.19   .   .   .   .   .   61   .   N   .   61   .   HN   parsed_1h4b   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.14   .   .   .   .   .   62   .   N   .   62   .   HN   parsed_1h4b   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.32   .   .   .   .   .   63   .   N   .   63   .   HN   parsed_1h4b   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.85   .   .   .   .   .   64   .   N   .   64   .   HN   parsed_1h4b   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.26   .   .   .   .   .   66   .   N   .   66   .   HN   parsed_1h4b   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.65   .   .   .   .   .   68   .   N   .   68   .   HN   parsed_1h4b   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.39   .   .   .   .   .   69   .   N   .   69   .   HN   parsed_1h4b   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.67   .   .   .   .   .   70   .   N   .   70   .   HN   parsed_1h4b   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.72   .   .   .   .   .   71   .   N   .   71   .   HN   parsed_1h4b   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.62   .   .   .   .   .   72   .   N   .   72   .   HN   parsed_1h4b   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.29   .   .   .   .   .   73   .   N   .   73   .   HN   parsed_1h4b   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.74   .   .   .   .   .   74   .   N   .   74   .   HN   parsed_1h4b   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.71   .   .   .   .   .   75   .   N   .   75   .   HN   parsed_1h4b   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.21   .   .   .   .   .   76   .   N   .   76   .   HN   parsed_1h4b   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.68   .   .   .   .   .   77   .   N   .   77   .   HN   parsed_1h4b   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.03   .   .   .   .   .   78   .   N   .   78   .   HN   parsed_1h4b   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.37   .   .   .   .   .   80   .   N   .   80   .   HN   parsed_1h4b   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.12   .   .   .   .   .   81   .   N   .   81   .   HN   parsed_1h4b   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.70   .   .   .   .   .   82   .   N   .   82   .   HN   parsed_1h4b   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.07   .   .   .   .   .   83   .   N   .   83   .   HN   parsed_1h4b   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   "SANI restraints derived from dipolar coupling constants"    2   1   2   58   parsed_1h4b   1   
    stop_

save_





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