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
36631 1ny9 5706 cing recoord 2-parsed STAR dipolar coupling


data_1ny9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ny9 
    _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_1ny9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ny9 
    _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   1ny9   "Master copy"    parsed_1ny9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ny9 
    _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   1ny9.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      2    distance                 "hydrogen bond"      simple             74   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      3   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      4   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      5   "dipolar coupling"        "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      6   "dihedral angle"          "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      7    distance                  NOE                 simple              0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      8   "chemical shift"          "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .    XPLOR/CNS      9   "coupling constant"       "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
        1   1ny9.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_1ny9   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1ny9 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

         1   
;
assign ( resid 164  and name CA   )
        ( resid 164  and name HA   )  -0.6   1.0
;
     1   2     2   48   parsed_1ny9   1   
         2   
;
assign ( resid 166  and name CA   )
        ( resid 166  and name HA   )   0.2   1.0
;
     4   2     5   48   parsed_1ny9   1   
         3   
;
assign ( resid 167  and name CA   )
        ( resid 167  and name HA   )   4.6   1.0
;
     7   2     8   48   parsed_1ny9   1   
         4   
;
assign ( resid 168  and name CA   )
        ( resid 168  and name HA   )  -3.5   1.0
;
    10   2    11   48   parsed_1ny9   1   
         5   
;
assign ( resid 169  and name CA   )
        ( resid 169  and name HA   )  -2.3   1.0
;
    13   2    14   48   parsed_1ny9   1   
         6   
;
assign ( resid 170  and name CA   )
        ( resid 170  and name HA   )   2.5   1.0
;
    16   2    17   48   parsed_1ny9   1   
         7   
;
assign ( resid 172  and name CA   )
        ( resid 172  and name HA   )  -4.6   1.0
;
    19   2    20   48   parsed_1ny9   1   
         8   
;
assign ( resid 173  and name CA   )
        ( resid 173  and name HA   )   0.0   1.0
;
    22   2    23   48   parsed_1ny9   1   
         9   
;
assign ( resid 174  and name CA   )
        ( resid 174  and name HA   )   4.8   1.0
;
    25   2    26   48   parsed_1ny9   1   
        10   
;
assign ( resid 175  and name CA   )
        ( resid 175  and name HA   )  -1.8   1.0
;
    28   2    29   48   parsed_1ny9   1   
        11   
;
assign ( resid 176  and name CA   )
        ( resid 176  and name HA   )  -3.7   1.0
;
    31   2    32   48   parsed_1ny9   1   
        12   
;
assign ( resid 177  and name CA   )
        ( resid 177  and name HA   )   3.2   1.0
;
    34   2    35   48   parsed_1ny9   1   
        13   
;
assign ( resid 178  and name CA   )
        ( resid 178  and name HA   )   3.2   1.0
;
    37   2    38   48   parsed_1ny9   1   
        14   
;
assign ( resid 179  and name CA   )
        ( resid 179  and name HA   )  -4.0   1.0
;
    40   2    41   48   parsed_1ny9   1   
        15   
;
assign ( resid 180  and name CA   )
        ( resid 180  and name HA   )  -1.6   1.0
;
    43   2    44   48   parsed_1ny9   1   
        16   
;
assign ( resid 182  and name CA   )
        ( resid 182  and name HA   )   5.6   1.0
;
    46   2    47   48   parsed_1ny9   1   
        17   
;
assign ( resid 184  and name CA   )
        ( resid 184  and name HA   )   1.1   1.0
;
    49   2    50   48   parsed_1ny9   1   
        18   
;
assign ( resid 185  and name CA   )
        ( resid 185  and name HA   )   1.6   1.0
;
    52   2    53   48   parsed_1ny9   1   
        19   
;
assign ( resid 187  and name CA   )
        ( resid 187  and name HA   )  -1.6   1.0
;
    55   2    56   48   parsed_1ny9   1   
        20   
;
assign ( resid 189  and name CA   )
        ( resid 189  and name HA   )   4.3   1.0
;
    58   2    59   48   parsed_1ny9   1   
        21   
;
assign ( resid 190  and name CA   )
        ( resid 190  and name HA   )   0.6   1.0
;
    61   2    62   48   parsed_1ny9   1   
        22   
;
assign ( resid 191  and name CA   )
        ( resid 191  and name HA   )  -3.0   1.0
;
    64   2    65   48   parsed_1ny9   1   
        23   
;
assign ( resid 192  and name CA   )
        ( resid 192  and name HA   )  -0.8   1.0
;
    67   2    68   48   parsed_1ny9   1   
        24   
;
assign ( resid 193  and name CA   )
        ( resid 193  and name HA   )   3.8   1.0
;
    70   2    71   48   parsed_1ny9   1   
        25   
;
assign ( resid 195  and name CA   )
        ( resid 195  and name HA   )  -4.6   1.0
;
    73   2    74   48   parsed_1ny9   1   
        26   
;
assign ( resid 196  and name CA   )
        ( resid 196  and name HA   )   3.2   1.0
;
    76   2    77   48   parsed_1ny9   1   
        27   
;
assign ( resid 197  and name CA   )
        ( resid 197  and name HA   )   0.9   1.0
;
    79   2    80   48   parsed_1ny9   1   
        28   
;
assign ( resid 198  and name CA   )
        ( resid 198  and name HA   )  -2.7   1.0
;
    82   2    83   48   parsed_1ny9   1   
        29   
;
assign ( resid 201  and name CA   )
        ( resid 201  and name HA   )  -0.2   1.0
;
    85   2    86   48   parsed_1ny9   1   
        30   
;
assign ( resid 202  and name CA   )
        ( resid 202  and name HA   )  -3.9   1.0
;
    88   2    89   48   parsed_1ny9   1   
        31   
;
assign ( resid 203  and name CA   )
        ( resid 203  and name HA   )  -0.2   1.0
;
    91   2    92   48   parsed_1ny9   1   
        32   
;
assign ( resid 207  and name CA   )
        ( resid 207  and name HA   )  -1.1   1.0
;
    94   2    95   48   parsed_1ny9   1   
        33   
;
assign ( resid 209  and name CA   )
        ( resid 209  and name HA   )  -1.4   1.0
;
    97   2    98   48   parsed_1ny9   1   
        34   
;
assign ( resid 210  and name CA   )
        ( resid 210  and name HA   )   0.9   1.0
;
   100   2   101   48   parsed_1ny9   1   
        35   
;
assign ( resid 214  and name CA   )
        ( resid 214  and name HA   )  -2.6   1.0
;
   103   2   104   48   parsed_1ny9   1   
        36   
;
assign ( resid 217  and name CA   )
        ( resid 217  and name HA   )   1.0   1.0
;
   106   2   107   48   parsed_1ny9   1   
        37   
;
assign ( resid 218  and name CA   )
        ( resid 218  and name HA   )  -2.5   1.0
;
   109   2   110   48   parsed_1ny9   1   
        38   
;
assign ( resid 220  and name CA   )
        ( resid 220  and name HA   )  -3.8   1.0
;
   112   2   113   48   parsed_1ny9   1   
        39   
;
assign ( resid 221  and name CA   )
        ( resid 221  and name HA   )  -2.3   1.0
;
   115   2   116   48   parsed_1ny9   1   
        40   
;
assign ( resid 222  and name CA   )
        ( resid 222  and name HA   )  -1.7   1.0
;
   118   2   119   48   parsed_1ny9   1   
        41   
;
assign ( resid 224  and name CA   )
        ( resid 224  and name HA   )  -1.0   1.0
;
   121   2   122   48   parsed_1ny9   1   
        42   
;
assign ( resid 227  and name CA   )
        ( resid 227  and name HA   )   1.0   1.0
;
   124   2   125   48   parsed_1ny9   1   
        43   
;
assign ( resid 228  and name CA   )
        ( resid 228  and name HA   )  -0.3   1.0
;
   127   2   128   48   parsed_1ny9   1   
        44   
;
assign ( resid 229  and name CA   )
        ( resid 229  and name HA   )  -2.8   1.0
;
   130   2   131   48   parsed_1ny9   1   
        45   
;
assign ( resid 230  and name CA   )
        ( resid 230  and name HA   )   1.6   1.0
;
   133   2   134   48   parsed_1ny9   1   
        46   
;
assign ( resid 231  and name CA   )
        ( resid 231  and name HA   )  -4.2   1.0
;
   136   2   137   48   parsed_1ny9   1   
        47   
;
assign ( resid 232  and name CA   )
        ( resid 232  and name HA   )  -0.1   1.0
;
   139   2   140   48   parsed_1ny9   1   
        48   
;
assign ( resid 233  and name CA   )
        ( resid 233  and name HA   )  -3.2   1.0
;
   142   2   143   48   parsed_1ny9   1   
        49   
;
assign ( resid 234  and name CA   )
        ( resid 234  and name HA   )   3.3   1.0
;
   145   2   146   48   parsed_1ny9   1   
        50   
;
assign ( resid 237  and name CA   )
        ( resid 237  and name HA   )  -3.4   1.0
;
   148   2   149   48   parsed_1ny9   1   
        51   
;
assign ( resid 238  and name CA   )
        ( resid 238  and name HA   )  -1.9   1.0
;
   151   2   152   48   parsed_1ny9   1   
        52   
;
assign ( resid 239  and name CA   )
        ( resid 239  and name HA   )   4.7   1.0
;
   154   2   155   48   parsed_1ny9   1   
        53   
;
assign ( resid 240  and name CA   )
        ( resid 240  and name HA   )  -1.1   1.0
;
   157   2   158   48   parsed_1ny9   1   
        54   
;
assign ( resid 241  and name CA   )
        ( resid 241  and name HA   )  -1.7   1.0
;
   160   2   161   48   parsed_1ny9   1   
        55   
;
assign ( resid 242  and name CA   )
        ( resid 242  and name HA   )  -0.7   1.0
;
   163   2   164   48   parsed_1ny9   1   
        56   
;
assign ( resid 243  and name CA   )
        ( resid 243  and name HA   )   5.0   1.0
;
   166   2   167   48   parsed_1ny9   1   
        57   
;
assign ( resid 244  and name CA   )
        ( resid 244  and name HA   )  -3.3   1.0
;
   169   2   170   48   parsed_1ny9   1   
        58   
;
assign ( resid 245  and name CA   )
        ( resid 245  and name HA   )  -1.6   1.0
;
   172   2   173   48   parsed_1ny9   1   
        59   
;
assign ( resid 246  and name CA   )
        ( resid 246  and name HA   )   2.0   1.0
;
   175   2   176   48   parsed_1ny9   1   
        60   
;
assign ( resid 247  and name CA   )
        ( resid 247  and name HA   )   2.7   1.0
;
   178   2   179   48   parsed_1ny9   1   
        61   
;
assign ( resid 248  and name CA   )
        ( resid 248  and name HA   )  -3.8   1.0
;
   181   2   182   48   parsed_1ny9   1   
        62   
;
assign ( resid 249  and name CA   )
        ( resid 249  and name HA   )  -1.4   1.0
;
   184   2   185   48   parsed_1ny9   1   
        63   
;
assign ( resid 250  and name CA   )
        ( resid 250  and name HA   )   5.1   1.0
;
   187   2   188   48   parsed_1ny9   1   
        64   
;
assign ( resid 251  and name CA   )
        ( resid 251  and name HA   )  -1.4   1.0
;
   190   2   191   48   parsed_1ny9   1   
        65   
;
assign ( resid 252  and name CA   )
        ( resid 252  and name HA   )   0.9   1.0
;
   193   2   194   48   parsed_1ny9   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 4:31:09 AM GMT (wattos1)