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
515510 1d3z 6457 cing recoord 2-parsed STAR dipolar coupling 63


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"      99   parsed_1d3z   1   
        1   1d3z.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"    "Not applicable"      63   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_15
    _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            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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.9930    3.9930    3.9930   .   .   .    2   .   HN   .    1   .   C   parsed_1d3z   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.6460   -5.6460   -5.6460   .   .   .    3   .   HN   .    2   .   C   parsed_1d3z   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0410    1.0410    1.0410   .   .   .    4   .   HN   .    3   .   C   parsed_1d3z   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.8350    0.8350    0.8350   .   .   .    5   .   HN   .    4   .   C   parsed_1d3z   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.2590    3.2590    3.2590   .   .   .    6   .   HN   .    5   .   C   parsed_1d3z   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0210    1.0210    1.0210   .   .   .    7   .   HN   .    6   .   C   parsed_1d3z   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -4.0420   -4.0420   -4.0420   .   .   .    8   .   HN   .    7   .   C   parsed_1d3z   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.8140    3.8140    3.8140   .   .   .    9   .   HN   .    8   .   C   parsed_1d3z   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.5120    2.5120    2.5120   .   .   .   11   .   HN   .   10   .   C   parsed_1d3z   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.6940   -5.6940   -5.6940   .   .   .   12   .   HN   .   11   .   C   parsed_1d3z   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.6090    1.6090    1.6090   .   .   .   13   .   HN   .   12   .   C   parsed_1d3z   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.4590    1.4590    1.4590   .   .   .   14   .   HN   .   13   .   C   parsed_1d3z   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.1820    1.1820    1.1820   .   .   .   15   .   HN   .   14   .   C   parsed_1d3z   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.2350    7.2350    7.2350   .   .   .   16   .   HN   .   15   .   C   parsed_1d3z   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.0560   -0.0560   -0.0560   .   .   .   17   .   HN   .   16   .   C   parsed_1d3z   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.4890    0.4890    0.4890   .   .   .   18   .   HN   .   17   .   C   parsed_1d3z   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.4180    3.4180    3.4180   .   .   .   20   .   HN   .   19   .   C   parsed_1d3z   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.7410    3.7410    3.7410   .   .   .   21   .   HN   .   20   .   C   parsed_1d3z   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.4370    2.4370    2.4370   .   .   .   22   .   HN   .   21   .   C   parsed_1d3z   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1870   -0.1870   -0.1870   .   .   .   23   .   HN   .   22   .   C   parsed_1d3z   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.7310   -6.7310   -6.7310   .   .   .   25   .   HN   .   24   .   C   parsed_1d3z   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.8600    3.8600    3.8600   .   .   .   26   .   HN   .   25   .   C   parsed_1d3z   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9220   -1.9220   -1.9220   .   .   .   27   .   HN   .   26   .   C   parsed_1d3z   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.5170    2.5170    2.5170   .   .   .   28   .   HN   .   27   .   C   parsed_1d3z   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.9030   -2.9030   -2.9030   .   .   .   29   .   HN   .   28   .   C   parsed_1d3z   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    2.8940    2.8940    2.8940   .   .   .   30   .   HN   .   29   .   C   parsed_1d3z   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.1520    5.1520    5.1520   .   .   .   31   .   HN   .   30   .   C   parsed_1d3z   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.5170   -6.5170   -6.5170   .   .   .   32   .   HN   .   31   .   C   parsed_1d3z   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.6050    4.6050    4.6050   .   .   .   33   .   HN   .   32   .   C   parsed_1d3z   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2320   -0.2320   -0.2320   .   .   .   34   .   HN   .   33   .   C   parsed_1d3z   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.5480    4.5480    4.5480   .   .   .   35   .   HN   .   34   .   C   parsed_1d3z   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.7810   -1.7810   -1.7810   .   .   .   36   .   HN   .   35   .   C   parsed_1d3z   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.9270   -1.9270   -1.9270   .   .   .   39   .   HN   .   38   .   C   parsed_1d3z   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.2440   -0.2440   -0.2440   .   .   .   40   .   HN   .   39   .   C   parsed_1d3z   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.1220    0.1220    0.1220   .   .   .   41   .   HN   .   40   .   C   parsed_1d3z   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.7690    7.7690    7.7690   .   .   .   42   .   HN   .   41   .   C   parsed_1d3z   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.7900    0.7900    0.7900   .   .   .   43   .   HN   .   42   .   C   parsed_1d3z   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.4780    4.4780    4.4780   .   .   .   44   .   HN   .   43   .   C   parsed_1d3z   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.5830   -0.5830   -0.5830   .   .   .   45   .   HN   .   44   .   C   parsed_1d3z   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    3.0230    3.0230    3.0230   .   .   .   46   .   HN   .   45   .   C   parsed_1d3z   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6300   -2.6300   -2.6300   .   .   .   47   .   HN   .   46   .   C   parsed_1d3z   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.1030   -2.1030   -2.1030   .   .   .   48   .   HN   .   47   .   C   parsed_1d3z   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.4520   -5.4520   -5.4520   .   .   .   49   .   HN   .   48   .   C   parsed_1d3z   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.6580    1.6580    1.6580   .   .   .   50   .   HN   .   49   .   C   parsed_1d3z   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -1.2430   -1.2430   -1.2430   .   .   .   51   .   HN   .   50   .   C   parsed_1d3z   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -6.2260   -6.2260   -6.2260   .   .   .   52   .   HN   .   51   .   C   parsed_1d3z   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    6.5670    6.5670    6.5670   .   .   .   54   .   HN   .   53   .   C   parsed_1d3z   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -5.6250   -5.6250   -5.6250   .   .   .   55   .   HN   .   54   .   C   parsed_1d3z   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.0620    1.0620    1.0620   .   .   .   56   .   HN   .   55   .   C   parsed_1d3z   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.9790    5.9790    5.9790   .   .   .   57   .   HN   .   56   .   C   parsed_1d3z   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.3260   -2.3260   -2.3260   .   .   .   58   .   HN   .   57   .   C   parsed_1d3z   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.8730    0.8730    0.8730   .   .   .   59   .   HN   .   58   .   C   parsed_1d3z   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -0.1130   -0.1130   -0.1130   .   .   .   60   .   HN   .   59   .   C   parsed_1d3z   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.5660    5.5660    5.5660   .   .   .   61   .   HN   .   60   .   C   parsed_1d3z   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    7.3490    7.3490    7.3490   .   .   .   62   .   HN   .   61   .   C   parsed_1d3z   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -8.5390   -8.5390   -8.5390   .   .   .   63   .   HN   .   62   .   C   parsed_1d3z   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3760    1.3760    1.3760   .   .   .   64   .   HN   .   63   .   C   parsed_1d3z   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.7400    5.7400    5.7400   .   .   .   65   .   HN   .   64   .   C   parsed_1d3z   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    5.0400    5.0400    5.0400   .   .   .   66   .   HN   .   65   .   C   parsed_1d3z   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    4.0810    4.0810    4.0810   .   .   .   67   .   HN   .   66   .   C   parsed_1d3z   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -2.6610   -2.6610   -2.6610   .   .   .   68   .   HN   .   67   .   C   parsed_1d3z   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    0.2800    0.2800    0.2800   .   .   .   69   .   HN   .   68   .   C   parsed_1d3z   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    1.3770    1.3770    1.3770   .   .   .   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   1   3   4   parsed_1d3z   1   
    stop_

save_





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