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
38202 1r2p 5962 cing 2-parsed STAR dipolar coupling 24


data_1r2p_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1r2p 
    _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_1r2p   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1r2p 
    _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   1r2p   "Master copy"    parsed_1r2p   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1r2p 
    _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   1r2p.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     2   "dipolar coupling"        "Not applicable"    "Not applicable"    24   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     3    distance                  NOE                 simple              0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     7   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
        1   1r2p.mr   .   .    XPLOR/CNS     8   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
        1   1r2p.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1r2p   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_2
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1r2p 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            2 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   28.500   .   .   .   .   .    2   .   C2   .    2   .   H2   parsed_1r2p   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.000   .   .   .   .   .    4   .   C6   .    4   .   H6   parsed_1r2p   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   42.000   .   .   .   .   .    7   .   C6   .    7   .   H6   parsed_1r2p   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   24.000   .   .   .   .   .    8   .   C2   .    8   .   H2   parsed_1r2p   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   34.000   .   .   .   .   .    8   .   C8   .    8   .   H8   parsed_1r2p   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   15.000   .   .   .   .   .   10   .   C8   .   10   .   H8   parsed_1r2p   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   33.000   .   .   .   .   .   12   .   C8   .   12   .   H8   parsed_1r2p   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   36.000   .   .   .   .   .   13   .   C2   .   13   .   H2   parsed_1r2p   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   43.000   .   .   .   .   .   13   .   C8   .   13   .   H8   parsed_1r2p   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.000   .   .   .   .   .   15   .   C8   .   15   .   H8   parsed_1r2p   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   22.000   .   .   .   .   .   16   .   C2   .   16   .   H2   parsed_1r2p   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   14.000   .   .   .   .   .   16   .   C8   .   16   .   H8   parsed_1r2p   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.000   .   .   .   .   .   17   .   C2   .   17   .   H2   parsed_1r2p   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   19.000   .   .   .   .   .   17   .   C8   .   17   .   H8   parsed_1r2p   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.000   .   .   .   .   .   18   .   C2   .   18   .   H2   parsed_1r2p   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   16.000   .   .   .   .   .   19   .   C8   .   19   .   H8   parsed_1r2p   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   35.000   .   .   .   .   .   21   .   C6   .   21   .   H6   parsed_1r2p   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   34.000   .   .   .   .   .   22   .   C8   .   22   .   H8   parsed_1r2p   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   26.000   .   .   .   .   .   24   .   C2   .   24   .   H2   parsed_1r2p   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   32.000   .   .   .   .   .   28   .   C2   .   28   .   H2   parsed_1r2p   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   36.000   .   .   .   .   .   28   .   C8   .   28   .   H8   parsed_1r2p   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.000   .   .   .   .   .   30   .   C8   .   30   .   H8   parsed_1r2p   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.000   .   .   .   .   .   32   .   C6   .   32   .   H6   parsed_1r2p   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   23.000   .   .   .   .   .   33   .   C6   .   33   .   H6   parsed_1r2p   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   
;
File name 1R2P_rdc.cns
NMR structure of D5 of the group II intron ai5gamma
PDB entry 1R2P
BMRB entry 5962
Authors: R.K.O.SIGEL,D.S.SASHITAL,D.L.ABRAMOVITZ,S.E.BUTCHER, A.G.PALMER,A.M.PYLE
RDC restraints
;
   2   1   7   18   parsed_1r2p   1   
    stop_

save_





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