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
515508 1d3z 6457 cing recoord 2-parsed STAR dipolar coupling 58


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"      66   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"    "Not applicable"     141   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"    "Not applicable"      61   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"    "Not applicable"      58   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_13
    _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            13 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4200   -2.4200   -2.4200   .   .   .    1   .   CA   .    1   .   C   parsed_1d3z   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.6130    0.6130    0.6130   .   .   .    2   .   CA   .    2   .   C   parsed_1d3z   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.0550   -1.0550   -1.0550   .   .   .    3   .   CA   .    3   .   C   parsed_1d3z   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4730   -2.4730   -2.4730   .   .   .    4   .   CA   .    4   .   C   parsed_1d3z   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2790   -0.2790   -0.2790   .   .   .    5   .   CA   .    5   .   C   parsed_1d3z   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.1340   -3.1340   -3.1340   .   .   .    6   .   CA   .    6   .   C   parsed_1d3z   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.1640    0.1640    0.1640   .   .   .    7   .   CA   .    7   .   C   parsed_1d3z   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5940   -1.5940   -1.5940   .   .   .    9   .   CA   .    9   .   C   parsed_1d3z   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.8890   -0.8890   -0.8890   .   .   .   10   .   CA   .   10   .   C   parsed_1d3z   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5320    1.5320    1.5320   .   .   .   12   .   CA   .   12   .   C   parsed_1d3z   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6090   -2.6090   -2.6090   .   .   .   13   .   CA   .   13   .   C   parsed_1d3z   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.7690    1.7690    1.7690   .   .   .   14   .   CA   .   14   .   C   parsed_1d3z   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.1390   -3.1390   -3.1390   .   .   .   15   .   CA   .   15   .   C   parsed_1d3z   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0960    1.0960    1.0960   .   .   .   16   .   CA   .   16   .   C   parsed_1d3z   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1390   -2.1390   -2.1390   .   .   .   17   .   CA   .   17   .   C   parsed_1d3z   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.5180    0.5180    0.5180   .   .   .   19   .   CA   .   19   .   C   parsed_1d3z   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1970   -2.1970   -2.1970   .   .   .   20   .   CA   .   20   .   C   parsed_1d3z   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.7300   -0.7300   -0.7300   .   .   .   21   .   CA   .   21   .   C   parsed_1d3z   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.5960   -0.5960   -0.5960   .   .   .   22   .   CA   .   22   .   C   parsed_1d3z   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7690    0.7690    0.7690   .   .   .   24   .   CA   .   24   .   C   parsed_1d3z   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4140    1.4140    1.4140   .   .   .   25   .   CA   .   25   .   C   parsed_1d3z   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4600   -2.4600   -2.4600   .   .   .   26   .   CA   .   26   .   C   parsed_1d3z   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4920    2.4920    2.4920   .   .   .   27   .   CA   .   27   .   C   parsed_1d3z   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4510    0.4510    0.4510   .   .   .   28   .   CA   .   28   .   C   parsed_1d3z   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2690   -0.2690   -0.2690   .   .   .   29   .   CA   .   29   .   C   parsed_1d3z   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.6950   -0.6950   -0.6950   .   .   .   30   .   CA   .   30   .   C   parsed_1d3z   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3610    1.3610    1.3610   .   .   .   31   .   CA   .   31   .   C   parsed_1d3z   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.2970    1.2970    1.2970   .   .   .   32   .   CA   .   32   .   C   parsed_1d3z   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4160   -2.4160   -2.4160   .   .   .   33   .   CA   .   33   .   C   parsed_1d3z   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.3540   -2.3540   -2.3540   .   .   .   34   .   CA   .   34   .   C   parsed_1d3z   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2250   -0.2250   -0.2250   .   .   .   35   .   CA   .   35   .   C   parsed_1d3z   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.5870   -0.5870   -0.5870   .   .   .   38   .   CA   .   38   .   C   parsed_1d3z   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7140    0.7140    0.7140   .   .   .   39   .   CA   .   39   .   C   parsed_1d3z   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.3730   -0.3730   -0.3730   .   .   .   40   .   CA   .   40   .   C   parsed_1d3z   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9440   -1.9440   -1.9440   .   .   .   42   .   CA   .   42   .   C   parsed_1d3z   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.2460    2.2460    2.2460   .   .   .   43   .   CA   .   43   .   C   parsed_1d3z   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.3400    2.3400    2.3400   .   .   .   45   .   CA   .   45   .   C   parsed_1d3z   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.5730   -1.5730   -1.5730   .   .   .   46   .   CA   .   46   .   C   parsed_1d3z   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1650    1.1650    1.1650   .   .   .   47   .   CA   .   47   .   C   parsed_1d3z   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.9970    1.9970    1.9970   .   .   .   48   .   CA   .   48   .   C   parsed_1d3z   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.7350   -0.7350   -0.7350   .   .   .   49   .   CA   .   49   .   C   parsed_1d3z   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.6700    0.6700    0.6700   .   .   .   50   .   CA   .   50   .   C   parsed_1d3z   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1650    1.1650    1.1650   .   .   .   51   .   CA   .   51   .   C   parsed_1d3z   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.0130   -2.0130   -2.0130   .   .   .   53   .   CA   .   53   .   C   parsed_1d3z   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.8720    1.8720    1.8720   .   .   .   55   .   CA   .   55   .   C   parsed_1d3z   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2300   -0.2300   -0.2300   .   .   .   56   .   CA   .   56   .   C   parsed_1d3z   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1120    1.1120    1.1120   .   .   .   57   .   CA   .   57   .   C   parsed_1d3z   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1880    1.1880    1.1880   .   .   .   58   .   CA   .   58   .   C   parsed_1d3z   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9440   -0.9440   -0.9440   .   .   .   59   .   CA   .   59   .   C   parsed_1d3z   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.5780    1.5780    1.5780   .   .   .   60   .   CA   .   60   .   C   parsed_1d3z   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.4670   -2.4670   -2.4670   .   .   .   61   .   CA   .   61   .   C   parsed_1d3z   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7970    0.7970    0.7970   .   .   .   63   .   CA   .   63   .   C   parsed_1d3z   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.9170   -0.9170   -0.9170   .   .   .   64   .   CA   .   64   .   C   parsed_1d3z   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8810   -1.8810   -1.8810   .   .   .   65   .   CA   .   65   .   C   parsed_1d3z   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.1350   -1.1350   -1.1350   .   .   .   66   .   CA   .   66   .   C   parsed_1d3z   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.8680   -1.8680   -1.8680   .   .   .   67   .   CA   .   67   .   C   parsed_1d3z   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1430   -0.1430   -0.1430   .   .   .   68   .   CA   .   68   .   C   parsed_1d3z   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -3.0680   -3.0680   -3.0680   .   .   .   69   .   CA   .   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.CA-CO.tbl
!!
;
   1   1   3   4   parsed_1d3z   1   
    stop_

save_





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