NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype subsubtype item_count
53752 2rp5 cing 2-parsed STAR distance hydrogen bond simple 42


data_2rp5_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2rp5 
    _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_2rp5   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2rp5 
    _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   2rp5   "Master copy"    parsed_2rp5   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2rp5 
    _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   2rp5.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2rp5   1   
        1   2rp5.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               4177   parsed_2rp5   1   
        1   2rp5.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple               42   parsed_2rp5   1   
        1   2rp5.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2rp5   1   
        1   2rp5.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2rp5   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2rp5 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

         1   1   .   .   .   parsed_2rp5   1   
         2   1   .   .   .   parsed_2rp5   1   
         3   1   .   .   .   parsed_2rp5   1   
         4   1   .   .   .   parsed_2rp5   1   
         5   1   .   .   .   parsed_2rp5   1   
         6   1   .   .   .   parsed_2rp5   1   
         7   1   .   .   .   parsed_2rp5   1   
         8   1   .   .   .   parsed_2rp5   1   
         9   1   .   .   .   parsed_2rp5   1   
        10   1   .   .   .   parsed_2rp5   1   
        11   1   .   .   .   parsed_2rp5   1   
        12   1   .   .   .   parsed_2rp5   1   
        13   1   .   .   .   parsed_2rp5   1   
        14   1   .   .   .   parsed_2rp5   1   
        15   1   .   .   .   parsed_2rp5   1   
        16   1   .   .   .   parsed_2rp5   1   
        17   1   .   .   .   parsed_2rp5   1   
        18   1   .   .   .   parsed_2rp5   1   
        19   1   .   .   .   parsed_2rp5   1   
        20   1   .   .   .   parsed_2rp5   1   
        21   1   .   .   .   parsed_2rp5   1   
        22   1   .   .   .   parsed_2rp5   1   
        23   1   .   .   .   parsed_2rp5   1   
        24   1   .   .   .   parsed_2rp5   1   
        25   1   .   .   .   parsed_2rp5   1   
        26   1   .   .   .   parsed_2rp5   1   
        27   1   .   .   .   parsed_2rp5   1   
        28   1   .   .   .   parsed_2rp5   1   
        29   1   .   .   .   parsed_2rp5   1   
        30   1   .   .   .   parsed_2rp5   1   
        31   1   .   .   .   parsed_2rp5   1   
        32   1   .   .   .   parsed_2rp5   1   
        33   1   .   .   .   parsed_2rp5   1   
        34   1   .   .   .   parsed_2rp5   1   
        35   1   .   .   .   parsed_2rp5   1   
        36   1   .   .   .   parsed_2rp5   1   
        37   1   .   .   .   parsed_2rp5   1   
        38   1   .   .   .   parsed_2rp5   1   
        39   1   .   .   .   parsed_2rp5   1   
        40   1   .   .   .   parsed_2rp5   1   
        41   1   .   .   .   parsed_2rp5   1   
        42   1   .   .   .   parsed_2rp5   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

         1   1   1   .   .   .   .   .   .   .   .   "A   "     23   .   O    parsed_2rp5   1   
         1   1   2   .   .   .   .   .   .   .   .   "B   "     31   .   HN   parsed_2rp5   1   
         2   1   1   .   .   .   .   .   .   .   .   "A   "     23   .   O    parsed_2rp5   1   
         2   1   2   .   .   .   .   .   .   .   .   "B   "     31   .   N    parsed_2rp5   1   
         3   1   1   .   .   .   .   .   .   .   .   "A   "     25   .   O    parsed_2rp5   1   
         3   1   2   .   .   .   .   .   .   .   .   "B   "     29   .   HN   parsed_2rp5   1   
         4   1   1   .   .   .   .   .   .   .   .   "A   "     25   .   O    parsed_2rp5   1   
         4   1   2   .   .   .   .   .   .   .   .   "B   "     29   .   N    parsed_2rp5   1   
         5   1   1   .   .   .   .   .   .   .   .   "A   "     34   .   O    parsed_2rp5   1   
         5   1   2   .   .   .   .   .   .   .   .   "A   "     38   .   HN   parsed_2rp5   1   
         6   1   1   .   .   .   .   .   .   .   .   "A   "     34   .   O    parsed_2rp5   1   
         6   1   2   .   .   .   .   .   .   .   .   "A   "     38   .   N    parsed_2rp5   1   
         7   1   1   .   .   .   .   .   .   .   .   "A   "     35   .   O    parsed_2rp5   1   
         7   1   2   .   .   .   .   .   .   .   .   "A   "     39   .   HN   parsed_2rp5   1   
         8   1   1   .   .   .   .   .   .   .   .   "A   "     35   .   O    parsed_2rp5   1   
         8   1   2   .   .   .   .   .   .   .   .   "A   "     39   .   N    parsed_2rp5   1   
         9   1   1   .   .   .   .   .   .   .   .   "A   "     36   .   O    parsed_2rp5   1   
         9   1   2   .   .   .   .   .   .   .   .   "A   "     40   .   HN   parsed_2rp5   1   
        10   1   1   .   .   .   .   .   .   .   .   "A   "     36   .   O    parsed_2rp5   1   
        10   1   2   .   .   .   .   .   .   .   .   "A   "     40   .   N    parsed_2rp5   1   
        11   1   1   .   .   .   .   .   .   .   .   "A   "     36   .   O    parsed_2rp5   1   
        11   1   2   .   .   .   .   .   .   .   .   "A   "     40   .   HN   parsed_2rp5   1   
        12   1   1   .   .   .   .   .   .   .   .   "A   "     36   .   O    parsed_2rp5   1   
        12   1   2   .   .   .   .   .   .   .   .   "A   "     40   .   N    parsed_2rp5   1   
        13   1   1   .   .   .   .   .   .   .   .   "A   "     37   .   O    parsed_2rp5   1   
        13   1   2   .   .   .   .   .   .   .   .   "A   "     41   .   HN   parsed_2rp5   1   
        14   1   1   .   .   .   .   .   .   .   .   "A   "     37   .   O    parsed_2rp5   1   
        14   1   2   .   .   .   .   .   .   .   .   "A   "     41   .   N    parsed_2rp5   1   
        15   1   1   .   .   .   .   .   .   .   .   "A   "     38   .   O    parsed_2rp5   1   
        15   1   2   .   .   .   .   .   .   .   .   "A   "     42   .   HN   parsed_2rp5   1   
        16   1   1   .   .   .   .   .   .   .   .   "A   "     38   .   O    parsed_2rp5   1   
        16   1   2   .   .   .   .   .   .   .   .   "A   "     42   .   N    parsed_2rp5   1   
        17   1   1   .   .   .   .   .   .   .   .   "A   "     39   .   O    parsed_2rp5   1   
        17   1   2   .   .   .   .   .   .   .   .   "A   "     43   .   HN   parsed_2rp5   1   
        18   1   1   .   .   .   .   .   .   .   .   "A   "     39   .   O    parsed_2rp5   1   
        18   1   2   .   .   .   .   .   .   .   .   "A   "     43   .   N    parsed_2rp5   1   
        19   1   1   .   .   .   .   .   .   .   .   "A   "     40   .   O    parsed_2rp5   1   
        19   1   2   .   .   .   .   .   .   .   .   "A   "     44   .   HN   parsed_2rp5   1   
        20   1   1   .   .   .   .   .   .   .   .   "A   "     40   .   O    parsed_2rp5   1   
        20   1   2   .   .   .   .   .   .   .   .   "A   "     44   .   N    parsed_2rp5   1   
        21   1   1   .   .   .   .   .   .   .   .   "A   "     68   .   O    parsed_2rp5   1   
        21   1   2   .   .   .   .   .   .   .   .   "A   "     72   .   HN   parsed_2rp5   1   
        22   1   1   .   .   .   .   .   .   .   .   "A   "     68   .   O    parsed_2rp5   1   
        22   1   2   .   .   .   .   .   .   .   .   "A   "     72   .   N    parsed_2rp5   1   
        23   1   1   .   .   .   .   .   .   .   .   "A   "     82   .   O    parsed_2rp5   1   
        23   1   2   .   .   .   .   .   .   .   .   "A   "     86   .   HN   parsed_2rp5   1   
        24   1   1   .   .   .   .   .   .   .   .   "A   "     82   .   O    parsed_2rp5   1   
        24   1   2   .   .   .   .   .   .   .   .   "A   "     86   .   N    parsed_2rp5   1   
        25   1   1   .   .   .   .   .   .   .   .   "A   "     94   .   O    parsed_2rp5   1   
        25   1   2   .   .   .   .   .   .   .   .   "A   "     98   .   HN   parsed_2rp5   1   
        26   1   1   .   .   .   .   .   .   .   .   "A   "     94   .   O    parsed_2rp5   1   
        26   1   2   .   .   .   .   .   .   .   .   "A   "     98   .   N    parsed_2rp5   1   
        27   1   1   .   .   .   .   .   .   .   .   "A   "    117   .   O    parsed_2rp5   1   
        27   1   2   .   .   .   .   .   .   .   .   "A   "    121   .   HN   parsed_2rp5   1   
        28   1   1   .   .   .   .   .   .   .   .   "A   "    117   .   O    parsed_2rp5   1   
        28   1   2   .   .   .   .   .   .   .   .   "A   "    121   .   N    parsed_2rp5   1   
        29   1   1   .   .   .   .   .   .   .   .   "A   "    118   .   O    parsed_2rp5   1   
        29   1   2   .   .   .   .   .   .   .   .   "A   "    122   .   HN   parsed_2rp5   1   
        30   1   1   .   .   .   .   .   .   .   .   "A   "    118   .   O    parsed_2rp5   1   
        30   1   2   .   .   .   .   .   .   .   .   "A   "    122   .   N    parsed_2rp5   1   
        31   1   1   .   .   .   .   .   .   .   .   "A   "    119   .   O    parsed_2rp5   1   
        31   1   2   .   .   .   .   .   .   .   .   "A   "    123   .   HN   parsed_2rp5   1   
        32   1   1   .   .   .   .   .   .   .   .   "A   "    119   .   O    parsed_2rp5   1   
        32   1   2   .   .   .   .   .   .   .   .   "A   "    123   .   N    parsed_2rp5   1   
        33   1   1   .   .   .   .   .   .   .   .   "A   "    120   .   O    parsed_2rp5   1   
        33   1   2   .   .   .   .   .   .   .   .   "A   "    124   .   HN   parsed_2rp5   1   
        34   1   1   .   .   .   .   .   .   .   .   "A   "    120   .   O    parsed_2rp5   1   
        34   1   2   .   .   .   .   .   .   .   .   "A   "    124   .   N    parsed_2rp5   1   
        35   1   1   .   .   .   .   .   .   .   .   "A   "    121   .   O    parsed_2rp5   1   
        35   1   2   .   .   .   .   .   .   .   .   "A   "    125   .   HN   parsed_2rp5   1   
        36   1   1   .   .   .   .   .   .   .   .   "A   "    121   .   O    parsed_2rp5   1   
        36   1   2   .   .   .   .   .   .   .   .   "A   "    125   .   N    parsed_2rp5   1   
        37   1   1   .   .   .   .   .   .   .   .   "A   "    122   .   O    parsed_2rp5   1   
        37   1   2   .   .   .   .   .   .   .   .   "A   "    126   .   HN   parsed_2rp5   1   
        38   1   1   .   .   .   .   .   .   .   .   "A   "    122   .   O    parsed_2rp5   1   
        38   1   2   .   .   .   .   .   .   .   .   "A   "    126   .   N    parsed_2rp5   1   
        39   1   1   .   .   .   .   .   .   .   .   "A   "    123   .   O    parsed_2rp5   1   
        39   1   2   .   .   .   .   .   .   .   .   "A   "    127   .   HN   parsed_2rp5   1   
        40   1   1   .   .   .   .   .   .   .   .   "A   "    123   .   O    parsed_2rp5   1   
        40   1   2   .   .   .   .   .   .   .   .   "A   "    127   .   N    parsed_2rp5   1   
        41   1   1   .   .   .   .   .   .   .   .   "A   "    124   .   O    parsed_2rp5   1   
        41   1   2   .   .   .   .   .   .   .   .   "A   "    128   .   HN   parsed_2rp5   1   
        42   1   1   .   .   .   .   .   .   .   .   "A   "    124   .   O    parsed_2rp5   1   
        42   1   2   .   .   .   .   .   .   .   .   "A   "    128   .   N    parsed_2rp5   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

         1   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
         2   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
         3   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
         4   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
         5   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
         6   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
         7   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
         8   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
         9   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        10   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        11   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        12   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        13   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        14   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        15   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        16   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        17   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        18   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        19   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        20   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        21   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        22   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        23   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        24   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        25   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        26   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        27   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        28   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        29   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        30   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        31   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        32   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        33   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        34   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        35   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        36   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        37   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        38   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        39   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        40   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
        41   1   .   .   .   .   .   2.100   2.100   2.600   parsed_2rp5   1   
        42   1   .   .   .   .   .   3.100   3.100   3.600   parsed_2rp5   1   
    stop_


    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

         1    1     1   8     1   8   parsed_2rp5   1   
         2    2     5   8     5   8   parsed_2rp5   1   
         3    3     9   8     9   8   parsed_2rp5   1   
         4    4    13   8    13   8   parsed_2rp5   1   
         5    5    17   8    17   8   parsed_2rp5   1   
         6    6    21   8    21   8   parsed_2rp5   1   
         7    7    25   8    25   8   parsed_2rp5   1   
         8    8    29   8    29   8   parsed_2rp5   1   
         9    9    33   8    33   8   parsed_2rp5   1   
        10   10    37   8    37   8   parsed_2rp5   1   
        11    9    41   8    41   8   parsed_2rp5   1   
        12   10    45   8    45   8   parsed_2rp5   1   
        13   11    49   8    49   8   parsed_2rp5   1   
        14   12    53   8    53   8   parsed_2rp5   1   
        15   13    57   8    57   8   parsed_2rp5   1   
        16   14    61   8    61   8   parsed_2rp5   1   
        17   15    65   8    65   8   parsed_2rp5   1   
        18   16    69   8    69   8   parsed_2rp5   1   
        19   17    73   8    73   8   parsed_2rp5   1   
        20   18    77   8    77   8   parsed_2rp5   1   
        21   19    81   8    81   8   parsed_2rp5   1   
        22   20    85   8    85   8   parsed_2rp5   1   
        23   21    89   8    89   8   parsed_2rp5   1   
        24   22    93   8    93   8   parsed_2rp5   1   
        25   23    97   8    97   8   parsed_2rp5   1   
        26   24   101   8   101   8   parsed_2rp5   1   
        27   25   105   8   105   8   parsed_2rp5   1   
        28   26   109   8   109   8   parsed_2rp5   1   
        29   27   113   8   113   8   parsed_2rp5   1   
        30   28   117   8   117   8   parsed_2rp5   1   
        31   29   121   8   121   8   parsed_2rp5   1   
        32   30   125   8   125   8   parsed_2rp5   1   
        33   31   129   8   129   8   parsed_2rp5   1   
        34   32   133   8   133   8   parsed_2rp5   1   
        35   33   137   8   137   8   parsed_2rp5   1   
        36   34   141   8   141   8   parsed_2rp5   1   
        37   35   145   8   145   8   parsed_2rp5   1   
        38   36   149   8   149   8   parsed_2rp5   1   
        39   37   153   8   153   8   parsed_2rp5   1   
        40   38   157   8   157   8   parsed_2rp5   1   
        41   39   161   8   161   8   parsed_2rp5   1   
        42   40   165   8   165   8   parsed_2rp5   1   
    stop_

save_





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