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 item_count
515504 1d3z 6457 cing recoord 2-parsed STAR dipolar coupling 61


data_1d3z_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1d3z 
    _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_1d3z   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1d3z 
    _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   1d3z   "Master copy"    parsed_1d3z   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1d3z 
    _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   1d3z.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS      2    distance                  NOE                 ambi               2727   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a            3    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS      4    distance                 "hydrogen bond"      simple               27   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a            5    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS      6   "dihedral angle"          "Not applicable"    "Not applicable"      98   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"    "Not applicable"      63   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"    "Not applicable"      61   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     14   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     16   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     17   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     18   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     19   "dipolar coupling"        "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           20    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     21   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           22    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     23   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           24    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     25   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           26    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     27   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           28    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     29   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    n/a           30    comment                  "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     31   "coupling constant"       "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
        1   1d3z.mr   .   .   "MR format"    32   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_1d3z   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_9
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1d3z 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            9 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.6080    1.6080    1.6080   .   .   .    2   .   HN   .    1   .   C   parsed_1d3z   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.9270   -2.9270   -2.9270   .   .   .    3   .   HN   .    2   .   C   parsed_1d3z   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.0660    2.0660    2.0660   .   .   .    4   .   HN   .    3   .   C   parsed_1d3z   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3430    1.3430    1.3430   .   .   .    5   .   HN   .    4   .   C   parsed_1d3z   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.6830    2.6830    2.6830   .   .   .    6   .   HN   .    5   .   C   parsed_1d3z   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.7300    1.7300    1.7300   .   .   .    7   .   HN   .    6   .   C   parsed_1d3z   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.1280   -1.1280   -1.1280   .   .   .    8   .   HN   .    7   .   C   parsed_1d3z   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0570    1.0570    1.0570   .   .   .   11   .   HN   .   10   .   C   parsed_1d3z   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.4910   -1.4910   -1.4910   .   .   .   12   .   HN   .   11   .   C   parsed_1d3z   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9330    1.9330    1.9330   .   .   .   13   .   HN   .   12   .   C   parsed_1d3z   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4810    1.4810    1.4810   .   .   .   14   .   HN   .   13   .   C   parsed_1d3z   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.8740    1.8740    1.8740   .   .   .   15   .   HN   .   14   .   C   parsed_1d3z   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.1990    3.1990    3.1990   .   .   .   16   .   HN   .   15   .   C   parsed_1d3z   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.8960    0.8960    0.8960   .   .   .   17   .   HN   .   16   .   C   parsed_1d3z   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4420    0.4420    0.4420   .   .   .   18   .   HN   .   17   .   C   parsed_1d3z   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7830    0.7830    0.7830   .   .   .   20   .   HN   .   19   .   C   parsed_1d3z   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.0760    2.0760    2.0760   .   .   .   21   .   HN   .   20   .   C   parsed_1d3z   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.2280    2.2280    2.2280   .   .   .   23   .   HN   .   22   .   C   parsed_1d3z   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.8810   -3.8810   -3.8810   .   .   .   25   .   HN   .   24   .   C   parsed_1d3z   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.7170    3.7170    3.7170   .   .   .   26   .   HN   .   25   .   C   parsed_1d3z   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4280    0.4280    0.4280   .   .   .   27   .   HN   .   26   .   C   parsed_1d3z   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2820   -0.2820   -0.2820   .   .   .   28   .   HN   .   27   .   C   parsed_1d3z   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.8150   -0.8150   -0.8150   .   .   .   29   .   HN   .   28   .   C   parsed_1d3z   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.3600    2.3600    2.3600   .   .   .   30   .   HN   .   29   .   C   parsed_1d3z   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8880    2.8880    2.8880   .   .   .   31   .   HN   .   30   .   C   parsed_1d3z   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.7720   -3.7720   -3.7720   .   .   .   32   .   HN   .   31   .   C   parsed_1d3z   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.7230    2.7230    2.7230   .   .   .   33   .   HN   .   32   .   C   parsed_1d3z   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9860    1.9860    1.9860   .   .   .   34   .   HN   .   33   .   C   parsed_1d3z   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4330    0.4330    0.4330   .   .   .   35   .   HN   .   34   .   C   parsed_1d3z   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0190   -1.0190   -1.0190   .   .   .   36   .   HN   .   35   .   C   parsed_1d3z   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.0120   -0.0120   -0.0120   .   .   .   39   .   HN   .   38   .   C   parsed_1d3z   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9700    1.9700    1.9700   .   .   .   40   .   HN   .   39   .   C   parsed_1d3z   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.0320   -2.0320   -2.0320   .   .   .   41   .   HN   .   40   .   C   parsed_1d3z   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8150    2.8150    2.8150   .   .   .   42   .   HN   .   41   .   C   parsed_1d3z   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1100   -0.1100   -0.1100   .   .   .   43   .   HN   .   42   .   C   parsed_1d3z   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.5540    2.5540    2.5540   .   .   .   44   .   HN   .   43   .   C   parsed_1d3z   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.3260    2.3260    2.3260   .   .   .   45   .   HN   .   44   .   C   parsed_1d3z   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5470    1.5470    1.5470   .   .   .   46   .   HN   .   45   .   C   parsed_1d3z   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.4480   -0.4480   -0.4480   .   .   .   47   .   HN   .   46   .   C   parsed_1d3z   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.2550   -2.2550   -2.2550   .   .   .   48   .   HN   .   47   .   C   parsed_1d3z   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9410   -1.9410   -1.9410   .   .   .   49   .   HN   .   48   .   C   parsed_1d3z   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4370    2.4370    2.4370   .   .   .   50   .   HN   .   49   .   C   parsed_1d3z   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6410   -0.6410   -0.6410   .   .   .   51   .   HN   .   50   .   C   parsed_1d3z   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.4510   -3.4510   -3.4510   .   .   .   52   .   HN   .   51   .   C   parsed_1d3z   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3610    1.3610    1.3610   .   .   .   54   .   HN   .   53   .   C   parsed_1d3z   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.7590   -2.7590   -2.7590   .   .   .   55   .   HN   .   54   .   C   parsed_1d3z   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.3120    2.3120    2.3120   .   .   .   56   .   HN   .   55   .   C   parsed_1d3z   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2780   -0.2780   -0.2780   .   .   .   57   .   HN   .   56   .   C   parsed_1d3z   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9700   -0.9700   -0.9700   .   .   .   58   .   HN   .   57   .   C   parsed_1d3z   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.0040    3.0040    3.0040   .   .   .   59   .   HN   .   58   .   C   parsed_1d3z   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1360   -2.1360   -2.1360   .   .   .   60   .   HN   .   59   .   C   parsed_1d3z   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9960    1.9960    1.9960   .   .   .   61   .   HN   .   60   .   C   parsed_1d3z   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4220    2.4220    2.4220   .   .   .   62   .   HN   .   61   .   C   parsed_1d3z   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.0480   -5.0480   -5.0480   .   .   .   63   .   HN   .   62   .   C   parsed_1d3z   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9080    1.9080    1.9080   .   .   .   64   .   HN   .   63   .   C   parsed_1d3z   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.3650    2.3650    2.3650   .   .   .   65   .   HN   .   64   .   C   parsed_1d3z   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.7840    1.7840    1.7840   .   .   .   66   .   HN   .   65   .   C   parsed_1d3z   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8970    2.8970    2.8970   .   .   .   67   .   HN   .   66   .   C   parsed_1d3z   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.2810    0.2810    0.2810   .   .   .   68   .   HN   .   67   .   C   parsed_1d3z   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5900    1.5900    1.5900   .   .   .   69   .   HN   .   68   .   C   parsed_1d3z   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.2610    1.2610    1.2610   .   .   .   70   .   HN   .   69   .   C   parsed_1d3z   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   
;
!!
!! DipolarCouplings.HN-CO.tbl
!!
;
   1   1   3   4   parsed_1d3z   1   
    stop_

save_





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