NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type subtype subsubtype item_count
35757 1m94 5481 cing recoord 2-parsed STAR distance NOE simple 6


data_1m94_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1m94 
    _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_1m94   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1m94 
    _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   1m94   "Master copy"    parsed_1m94   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1m94 
    _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   1m94.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS      2   "dihedral angle"          "Not applicable"    "Not applicable"    86   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS      3    distance                 "hydrogen bond"      simple             58   parsed_1m94   1   
        1   1m94.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS      5    distance                  NOE                 simple             60   parsed_1m94   1   
        1   1m94.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple             18   parsed_1m94   1   
        1   1m94.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS      9    distance                  NOE                 simple              8   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     11    distance                  NOE                 simple             57   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           12    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     13    distance                  NOE                 simple              5   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           14    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     15    distance                  NOE                 simple              1   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           16    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     17    distance                  NOE                 simple             16   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           18    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     19    distance                  NOE                 simple             12   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           20    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     21    distance                  NOE                 simple              6   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           22    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     23    distance                  NOE                 simple             35   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           24    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     25    distance                  NOE                 simple             25   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           26    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     27    distance                  NOE                 simple             27   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           28    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     29    distance                  NOE                 simple             11   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           30    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     31    distance                  NOE                 simple              6   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           32    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     33    distance                  NOE                 simple              6   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           34    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     35    distance                  NOE                 simple              0   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           36    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     37    distance                  NOE                 simple              0   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           38    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     39    distance                  NOE                 simple              0   parsed_1m94   1   
        1   1m94.mr   .   .    n/a           40    comment                  "Not applicable"    "Not applicable"     0   parsed_1m94   1   
        1   1m94.mr   .   .    XPLOR/CNS     41    distance                  NOE                 simple              0   parsed_1m94   1   
        1   1m94.mr   .   .   "MR format"    42   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1m94   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_33
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_1m94 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            33 
    _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_1m94   1   
        2   1   .   .   .   parsed_1m94   1   
        3   1   .   .   .   parsed_1m94   1   
        4   1   .   .   .   parsed_1m94   1   
        5   1   .   .   .   parsed_1m94   1   
        6   1   .   .   .   parsed_1m94   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   .   .   .   .   .   .   .   .   .   26   .   HA     parsed_1m94   1   
        1   1   2   .   .   .   .   .   .   .   .   .   29   .   HG*    parsed_1m94   1   
        2   1   1   .   .   .   .   .   .   .   .   .   26   .   HA     parsed_1m94   1   
        2   1   2   .   .   .   .   .   .   .   .   .   29   .   HD*    parsed_1m94   1   
        3   1   1   .   .   .   .   .   .   .   .   .   27   .   HA     parsed_1m94   1   
        3   1   2   .   .   .   .   .   .   .   .   .   30   .   HG2*   parsed_1m94   1   
        4   1   1   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1m94   1   
        4   1   2   .   .   .   .   .   .   .   .   .   31   .   HG     parsed_1m94   1   
        5   1   1   .   .   .   .   .   .   .   .   .   28   .   HA     parsed_1m94   1   
        5   1   2   .   .   .   .   .   .   .   .   .   31   .   HD2*   parsed_1m94   1   
        6   1   1   .   .   .   .   .   .   .   .   .   30   .   HA     parsed_1m94   1   
        6   1   2   .   .   .   .   .   .   .   .   .   33   .   HG     parsed_1m94   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   .   .   .   .   .   1.8   1.8   6.0   parsed_1m94   1   
        2   1   .   .   .   .   .   1.8   1.8   6.0   parsed_1m94   1   
        3   1   .   .   .   .   .   1.8   1.8   6.0   parsed_1m94   1   
        4   1   .   .   .   .   .   1.8   1.8   5.0   parsed_1m94   1   
        5   1   .   .   .   .   .   1.8   1.8   6.0   parsed_1m94   1   
        6   1   .   .   .   .   .   1.8   1.8   5.0   parsed_1m94   1   
    stop_

save_





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