NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
515728 1vrv cing 2-parsed STAR dipolar coupling 40


data_1vrv_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1vrv 
    _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_1vrv   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1vrv 
    _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   1vrv   "Master copy"    parsed_1vrv   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1vrv 
    _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   1vrv.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    n/a            2    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS      3    distance                  NOE                 simple             83   parsed_1vrv   1   
        1   1vrv.mr   .   .    n/a            4    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS      5   "dihedral angle"          "Not applicable"    "Not applicable"    21   parsed_1vrv   1   
        1   1vrv.mr   .   .    n/a            6    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS      7    distance                 "hydrogen bond"      simple             12   parsed_1vrv   1   
        1   1vrv.mr   .   .    n/a            8    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS      9    distance                 "hydrogen bond"      simple              2   parsed_1vrv   1   
        1   1vrv.mr   .   .    n/a           10    comment                  "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"    "Not applicable"    75   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"    59   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"    "Not applicable"    58   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     14   "dipolar coupling"        "Not applicable"    "Not applicable"    99   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"    "Not applicable"    40   parsed_1vrv   1   
        1   1vrv.mr   .   .    XPLOR/CNS     16   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
        1   1vrv.mr   .   .   "MR format"    17   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1vrv   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_15
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1vrv 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            15 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.4648   .   .   .   .   .    15   .   C   .    16   .   HN   parsed_1vrv   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.2691   .   .   .   .   .    17   .   C   .    18   .   HN   parsed_1vrv   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.7187   .   .   .   .   .    22   .   C   .    23   .   HN   parsed_1vrv   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8226   .   .   .   .   .    23   .   C   .    24   .   HN   parsed_1vrv   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.4098   .   .   .   .   .    24   .   C   .    25   .   HN   parsed_1vrv   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5596   .   .   .   .   .    26   .   C   .    27   .   HN   parsed_1vrv   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.0917   .   .   .   .   .    27   .   C   .    28   .   HN   parsed_1vrv   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6911   .   .   .   .   .    28   .   C   .    29   .   HN   parsed_1vrv   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.0306   .   .   .   .   .    29   .   C   .    30   .   HN   parsed_1vrv   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8960   .   .   .   .   .    31   .   C   .    32   .   HN   parsed_1vrv   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.2844   .   .   .   .   .    33   .   C   .    34   .   HN   parsed_1vrv   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0092   .   .   .   .   .    34   .   C   .    35   .   HN   parsed_1vrv   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.8410   .   .   .   .   .    35   .   C   .    36   .   HN   parsed_1vrv   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.6514   .   .   .   .   .    38   .   C   .    39   .   HN   parsed_1vrv   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.2477   .   .   .   .   .    41   .   C   .    42   .   HN   parsed_1vrv   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.6575   .   .   .   .   .    49   .   C   .    50   .   HN   parsed_1vrv   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.0673   .   .   .   .   .    50   .   C   .    51   .   HN   parsed_1vrv   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4373   .   .   .   .   .    52   .   C   .    53   .   HN   parsed_1vrv   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.6483   .   .   .   .   .    53   .   C   .    54   .   HN   parsed_1vrv   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.7676   .   .   .   .   .    59   .   C   .    60   .   HN   parsed_1vrv   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.5046   .   .   .   .   .    61   .   C   .    62   .   HN   parsed_1vrv   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.2263   .   .   .   .   .    63   .   C   .    64   .   HN   parsed_1vrv   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    9.7553   .   .   .   .   .    64   .   C   .    65   .   HN   parsed_1vrv   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.0245   .   .   .   .   .    65   .   C   .    66   .   HN   parsed_1vrv   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.6789   .   .   .   .   .    68   .   C   .    69   .   HN   parsed_1vrv   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.6208   .   .   .   .   .    70   .   C   .    71   .   HN   parsed_1vrv   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    8.0122   .   .   .   .   .    73   .   C   .    74   .   HN   parsed_1vrv   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    9.0826   .   .   .   .   .    78   .   C   .    79   .   HN   parsed_1vrv   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.8930   .   .   .   .   .    79   .   C   .    80   .   HN   parsed_1vrv   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.9449   .   .   .   .   .    82   .   C   .    83   .   HN   parsed_1vrv   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.2446   .   .   .   .   .    84   .   C   .    85   .   HN   parsed_1vrv   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.6422   .   .   .   .   .    88   .   C   .    89   .   HN   parsed_1vrv   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.0795   .   .   .   .   .    89   .   C   .    90   .   HN   parsed_1vrv   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.0183   .   .   .   .   .    94   .   C   .    95   .   HN   parsed_1vrv   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7339   .   .   .   .   .    97   .   C   .    98   .   HN   parsed_1vrv   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -7.3089   .   .   .   .   .    99   .   C   .   100   .   HN   parsed_1vrv   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.5505   .   .   .   .   .   100   .   C   .   101   .   HN   parsed_1vrv   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9786   .   .   .   .   .   101   .   C   .   102   .   HN   parsed_1vrv   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.9358   .   .   .   .   .   102   .   C   .   103   .   HN   parsed_1vrv   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.1284   .   .   .   .   .   105   .   C   .   106   .   HN   parsed_1vrv   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   HN-C'   1   1   1   7   parsed_1vrv   1   
    stop_

save_





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