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
515511 1d3z 6457 cing recoord 2-parsed STAR dipolar coupling 66


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"      66   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_16
    _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            16 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -38.3410   -38.3410   -38.3410   .   .   .    1   .   CA   .    1   .   HA    parsed_1d3z   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.6620    11.6620    11.6620   .   .   .    2   .   CA   .    2   .   HA    parsed_1d3z   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.4240    18.4240    18.4240   .   .   .    3   .   CA   .    3   .   HA    parsed_1d3z   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    26.7330    26.7330    26.7330   .   .   .    4   .   CA   .    4   .   HA    parsed_1d3z   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.7480    15.7480    15.7480   .   .   .    5   .   CA   .    5   .   HA    parsed_1d3z   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.5090     2.5090     2.5090   .   .   .    6   .   CA   .    6   .   HA    parsed_1d3z   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.9370    14.9370    14.9370   .   .   .    7   .   CA   .    7   .   HA    parsed_1d3z   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.5650     3.5650     3.5650   .   .   .    9   .   CA   .    9   .   HA    parsed_1d3z   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    39.0840    39.0840    39.0840   .   .   .   10   .   CA   .   10   .   HA#   parsed_1d3z   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.0560     1.0560     1.0560   .   .   .   11   .   CA   .   11   .   HA    parsed_1d3z   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.1170    -6.1170    -6.1170   .   .   .   12   .   CA   .   12   .   HA    parsed_1d3z   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.8300     4.8300     4.8300   .   .   .   13   .   CA   .   13   .   HA    parsed_1d3z   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.5740    23.5740    23.5740   .   .   .   14   .   CA   .   14   .   HA    parsed_1d3z   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.3020    23.3020    23.3020   .   .   .   15   .   CA   .   15   .   HA    parsed_1d3z   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.2060    13.2060    13.2060   .   .   .   16   .   CA   .   16   .   HA    parsed_1d3z   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.1920    35.1920    35.1920   .   .   .   17   .   CA   .   17   .   HA    parsed_1d3z   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -31.2130   -31.2130   -31.2130   .   .   .   18   .   CA   .   18   .   HA    parsed_1d3z   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.6470    15.6470    15.6470   .   .   .   19   .   CA   .   19   .   HA    parsed_1d3z   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    57.9710    57.9710    57.9710   .   .   .   21   .   CA   .   21   .   HA    parsed_1d3z   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.7730    17.7730    17.7730   .   .   .   22   .   CA   .   22   .   HA    parsed_1d3z   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.9870     0.9870     0.9870   .   .   .   23   .   CA   .   23   .   HA    parsed_1d3z   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.1210   -25.1210   -25.1210   .   .   .   24   .   CA   .   24   .   HA    parsed_1d3z   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.7520    19.7520    19.7520   .   .   .   25   .   CA   .   25   .   HA    parsed_1d3z   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -26.4110   -26.4110   -26.4110   .   .   .   26   .   CA   .   26   .   HA    parsed_1d3z   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    45.4920    45.4920    45.4920   .   .   .   27   .   CA   .   27   .   HA    parsed_1d3z   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -55.4750   -55.4750   -55.4750   .   .   .   28   .   CA   .   28   .   HA    parsed_1d3z   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    36.7620    36.7620    36.7620   .   .   .   29   .   CA   .   29   .   HA    parsed_1d3z   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.6110    -4.6110    -4.6110   .   .   .   30   .   CA   .   30   .   HA    parsed_1d3z   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.9290   -12.9290   -12.9290   .   .   .   31   .   CA   .   31   .   HA    parsed_1d3z   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.5590     5.5590     5.5590   .   .   .   33   .   CA   .   33   .   HA    parsed_1d3z   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.4690    13.4690    13.4690   .   .   .   34   .   CA   .   34   .   HA    parsed_1d3z   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    46.3340    46.3340    46.3340   .   .   .   35   .   CA   .   35   .   HA#   parsed_1d3z   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -53.2910   -53.2910   -53.2910   .   .   .   36   .   CA   .   36   .   HA    parsed_1d3z   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.5960     8.5960     8.5960   .   .   .   37   .   CA   .   37   .   HA    parsed_1d3z   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.3470     7.3470     7.3470   .   .   .   38   .   CA   .   38   .   HA    parsed_1d3z   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.5740    -3.5740    -3.5740   .   .   .   39   .   CA   .   39   .   HA    parsed_1d3z   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.8800   -29.8800   -29.8800   .   .   .   40   .   CA   .   40   .   HA    parsed_1d3z   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    34.5160    34.5160    34.5160   .   .   .   41   .   CA   .   41   .   HA    parsed_1d3z   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    33.3530    33.3530    33.3530   .   .   .   42   .   CA   .   42   .   HA    parsed_1d3z   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.3540    21.3540    21.3540   .   .   .   43   .   CA   .   43   .   HA    parsed_1d3z   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.5630    11.5630    11.5630   .   .   .   44   .   CA   .   44   .   HA    parsed_1d3z   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.7610    14.7610    14.7610   .   .   .   45   .   CA   .   45   .   HA    parsed_1d3z   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    38.0110    38.0110    38.0110   .   .   .   46   .   CA   .   46   .   HA    parsed_1d3z   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.9000    14.9000    14.9000   .   .   .   47   .   CA   .   47   .   HA#   parsed_1d3z   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -31.3550   -31.3550   -31.3550   .   .   .   48   .   CA   .   48   .   HA    parsed_1d3z   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.0800     6.0800     6.0800   .   .   .   49   .   CA   .   49   .   HA    parsed_1d3z   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.5840    -9.5840    -9.5840   .   .   .   50   .   CA   .   50   .   HA    parsed_1d3z   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -51.5840   -51.5840   -51.5840   .   .   .   51   .   CA   .   51   .   HA    parsed_1d3z   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.8680   -12.8680   -12.8680   .   .   .   52   .   CA   .   52   .   HA    parsed_1d3z   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    31.9180    31.9180    31.9180   .   .   .   53   .   CA   .   53   .   HA#   parsed_1d3z   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.4630     7.4630     7.4630   .   .   .   54   .   CA   .   54   .   HA    parsed_1d3z   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.3810     6.3810     6.3810   .   .   .   55   .   CA   .   55   .   HA    parsed_1d3z   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.8750   -12.8750   -12.8750   .   .   .   56   .   CA   .   56   .   HA    parsed_1d3z   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.0150    18.0150    18.0150   .   .   .   57   .   CA   .   57   .   HA    parsed_1d3z   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.6070     6.6070     6.6070   .   .   .   59   .   CA   .   59   .   HA    parsed_1d3z   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.8130   -11.8130   -11.8130   .   .   .   60   .   CA   .   60   .   HA    parsed_1d3z   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    55.0880    55.0880    55.0880   .   .   .   61   .   CA   .   61   .   HA    parsed_1d3z   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    35.2320    35.2320    35.2320   .   .   .   62   .   CA   .   62   .   HA    parsed_1d3z   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.2590     9.2590     9.2590   .   .   .   63   .   CA   .   63   .   HA    parsed_1d3z   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.6980    -0.6980    -0.6980   .   .   .   64   .   CA   .   64   .   HA    parsed_1d3z   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    52.6300    52.6300    52.6300   .   .   .   65   .   CA   .   65   .   HA    parsed_1d3z   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    34.1840    34.1840    34.1840   .   .   .   66   .   CA   .   66   .   HA    parsed_1d3z   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.6690    21.6690    21.6690   .   .   .   67   .   CA   .   67   .   HA    parsed_1d3z   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.3730     3.3730     3.3730   .   .   .   68   .   CA   .   68   .   HA    parsed_1d3z   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.0290    22.0290    22.0290   .   .   .   69   .   CA   .   69   .   HA    parsed_1d3z   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.5720    23.5720    23.5720   .   .   .   70   .   CA   .   70   .   HA    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.C-H.tbl.1
!!
;
   1   1   3   4   parsed_1d3z   1   
    stop_

save_





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