NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type
565726 2m89 19235 cing 2-parsed STAR dipolar coupling


data_2m89_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m89 
    _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_2m89   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m89 
    _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   2m89   "Master copy"    parsed_2m89   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m89 
    _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   2m89.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2m89   1   
        1   2m89.mr   .   .    unknown       2    distance                  NOE                 simple               0   parsed_2m89   1   
        1   2m89.mr   .   .    unknown       3    unknown                  "Not applicable"    "Not applicable"      0   parsed_2m89   1   
        1   2m89.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"    "Not applicable"    472   parsed_2m89   1   
        1   2m89.mr   .   .    DYANA/DIANA   5   "dipolar coupling"        "Not applicable"    "Not applicable"      0   parsed_2m89   1   
        1   2m89.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2m89   1   
    stop_

save_


save_DYANA/DIANA_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2m89 
    _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   "3 H 3 N 9.279"            1   1     1   14   parsed_2m89   1   
          2   "151 H 151 N 9.279"        2   1     2   18   parsed_2m89   1   
          3   "7 H 7 N 0.396"            3   1     3   14   parsed_2m89   1   
          4   "155 H 155 N 0.396"        4   1     4   18   parsed_2m89   1   
          5   "15 H 15 N 8.252"          5   1     5   16   parsed_2m89   1   
          6   "163 H 163 N 8.252"        6   1     6   18   parsed_2m89   1   
          7   "16 H 16 N 15.043"         7   1     7   17   parsed_2m89   1   
          8   "164 H 164 N 15.043"       8   1     8   19   parsed_2m89   1   
          9   "17 H 17 N 12.097"         9   1     9   17   parsed_2m89   1   
         10   "165 H 165 N 12.097"      10   1    10   19   parsed_2m89   1   
         11   "18 H 18 N 11.408"        11   1    11   17   parsed_2m89   1   
         12   "166 H 166 N 11.408"      12   1    12   19   parsed_2m89   1   
         13   "20 H 20 N 13.904"        13   1    13   17   parsed_2m89   1   
         14   "168 H 168 N 13.904"      14   1    14   19   parsed_2m89   1   
         15   "21 H 21 N 9.618"         15   1    15   16   parsed_2m89   1   
         16   "169 H 169 N 9.618"       16   1    16   18   parsed_2m89   1   
         17   "24 H 24 N 4.622"         17   1    17   16   parsed_2m89   1   
         18   "172 H 172 N 4.622"       18   1    18   18   parsed_2m89   1   
         19   "25 H 25 N 3.982"         19   1    19   16   parsed_2m89   1   
         20   "173 H 173 N 3.982"       20   1    20   18   parsed_2m89   1   
         21   "26 H 26 N -3.416"        21   1    21   17   parsed_2m89   1   
         22   "174 H 174 N -3.416"      22   1    22   19   parsed_2m89   1   
         23   "27 H 27 N 4.265"         23   1    23   16   parsed_2m89   1   
         24   "175 H 175 N 4.265"       24   1    24   18   parsed_2m89   1   
         25   "30 H 30 N -1.896"        25   1    25   17   parsed_2m89   1   
         26   "178 H 178 N -1.896"      26   1    26   19   parsed_2m89   1   
         27   "42 H 42 N 7.461"         27   1    27   16   parsed_2m89   1   
         28   "190 H 190 N 7.461"       28   1    28   18   parsed_2m89   1   
         29   "45 H 45 N -4.960"        29   1    29   17   parsed_2m89   1   
         30   "193 H 193 N -4.960"      30   1    30   19   parsed_2m89   1   
         31   "46 H 46 N -5.983"        31   1    31   17   parsed_2m89   1   
         32   "194 H 194 N -5.983"      32   1    32   19   parsed_2m89   1   
         33   "55 H 55 N -10.813"       33   1    33   18   parsed_2m89   1   
         34   "203 H 203 N -10.813"     34   1    34   20   parsed_2m89   1   
         35   "56 H 56 N -10.272"       35   1    35   18   parsed_2m89   1   
         36   "204 H 204 N -10.272"     36   1    36   20   parsed_2m89   1   
         37   "58 H 58 N 6.138"         37   1    37   16   parsed_2m89   1   
         38   "206 H 206 N 6.138"       38   1    38   18   parsed_2m89   1   
         39   "60 H 60 N -8.586"        39   1    39   17   parsed_2m89   1   
         40   "208 H 208 N -8.586"      40   1    40   19   parsed_2m89   1   
         41   "61 H 61 N -4.773"        41   1    41   17   parsed_2m89   1   
         42   "209 H 209 N -4.773"      42   1    42   19   parsed_2m89   1   
         43   "62 H 62 N 0.709"         43   1    43   16   parsed_2m89   1   
         44   "210 H 210 N 0.709"       44   1    44   18   parsed_2m89   1   
         45   "66 H 66 N 4.843"         45   1    45   16   parsed_2m89   1   
         46   "214 H 214 N 4.843"       46   1    46   18   parsed_2m89   1   
         47   "68 H 68 N 6.019"         47   1    47   16   parsed_2m89   1   
         48   "216 H 216 N 6.019"       48   1    48   18   parsed_2m89   1   
         49   "70 H 70 N 4.570"         49   1    49   16   parsed_2m89   1   
         50   "218 H 218 N 4.570"       50   1    50   18   parsed_2m89   1   
         51   "71 H 71 N 3.169"         51   1    51   16   parsed_2m89   1   
         52   "219 H 219 N 3.169"       52   1    52   18   parsed_2m89   1   
         53   "84 H 84 N 7.087"         53   1    53   16   parsed_2m89   1   
         54   "232 H 232 N 7.087"       54   1    54   18   parsed_2m89   1   
         55   "85 H 85 N 5.675"         55   1    55   16   parsed_2m89   1   
         56   "233 H 233 N 5.675"       56   1    56   18   parsed_2m89   1   
         57   "86 H 86 N 3.743"         57   1    57   16   parsed_2m89   1   
         58   "234 H 234 N 3.743"       58   1    58   18   parsed_2m89   1   
         59   "89 H 89 N -2.798"        59   1    59   17   parsed_2m89   1   
         60   "237 H 237 N -2.798"      60   1    60   19   parsed_2m89   1   
         61   "96 H 96 N -1.046"        61   1    61   17   parsed_2m89   1   
         62   "244 H 244 N -1.046"      62   1    62   19   parsed_2m89   1   
         63   "97 H 97 N -0.025"        63   1    63   17   parsed_2m89   1   
         64   "245 H 245 N -0.025"      64   1    64   19   parsed_2m89   1   
         65   "99 H 99 N 6.179"         65   1    65   16   parsed_2m89   1   
         66   "247 H 247 N 6.179"       66   1    66   18   parsed_2m89   1   
         67   "101 H 101 N 9.833"       67   1    67   18   parsed_2m89   1   
         68   "249 H 249 N 9.833"       68   1    68   18   parsed_2m89   1   
         69   "102 H 102 N 6.612"       69   1    69   18   parsed_2m89   1   
         70   "250 H 250 N 6.612"       70   1    70   18   parsed_2m89   1   
         71   "111 H 111 N -5.566"      71   1    71   19   parsed_2m89   1   
         72   "259 H 259 N -5.566"      72   1    72   19   parsed_2m89   1   
         73   "112 H 112 N -0.419"      73   1    73   19   parsed_2m89   1   
         74   "260 H 260 N -0.419"      74   1    74   19   parsed_2m89   1   
         75   "114 H 114 N -11.333"     75   1    75   20   parsed_2m89   1   
         76   "262 H 262 N -11.333"     76   1    76   20   parsed_2m89   1   
         77   "119 H 119 N -0.310"      77   1    77   19   parsed_2m89   1   
         78   "267 H 267 N -0.310"      78   1    78   19   parsed_2m89   1   
         79   "126 H 126 N 6.275"       79   1    79   18   parsed_2m89   1   
         80   "274 H 274 N 6.275"       80   1    80   18   parsed_2m89   1   
         81   "128 H 128 N -10.684"     81   1    81   20   parsed_2m89   1   
         82   "276 H 276 N -10.684"     82   1    82   20   parsed_2m89   1   
         83   "129 H 129 N -9.035"      83   1    83   19   parsed_2m89   1   
         84   "277 H 277 N -9.035"      84   1    84   19   parsed_2m89   1   
         85   "131 H 131 N -5.061"      85   1    85   19   parsed_2m89   1   
         86   "279 H 279 N -5.061"      86   1    86   19   parsed_2m89   1   
         87   "3 H 3 N 10.360"          87   1    87   15   parsed_2m89   1   
         88   "151 H 151 N 10.360"      88   1    88   19   parsed_2m89   1   
         89   "7 H 7 N -16.609"         89   1    89   16   parsed_2m89   1   
         90   "155 H 155 N -16.609"     90   1    90   20   parsed_2m89   1   
         91   "15 H 15 N 18.553"        91   1    91   17   parsed_2m89   1   
         92   "163 H 163 N 18.553"      92   1    92   19   parsed_2m89   1   
         93   "16 H 16 N 24.677"        93   1    93   17   parsed_2m89   1   
         94   "164 H 164 N 24.677"      94   1    94   19   parsed_2m89   1   
         95   "17 H 17 N 23.681"        95   1    95   17   parsed_2m89   1   
         96   "165 H 165 N 23.681"      96   1    96   19   parsed_2m89   1   
         97   "18 H 18 N 20.863"        97   1    97   17   parsed_2m89   1   
         98   
;
166 H 166 N 20.863

;
    98   1    99   18   parsed_2m89   1   
         99   "20 H 20 N 25.862"       101   1   101   17   parsed_2m89   1   
        100   "168 H 168 N 25.862"     102   1   102   19   parsed_2m89   1   
        101   "21 H 21 N 11.793"       103   1   103   17   parsed_2m89   1   
        102   "169 H 169 N 11.793"     104   1   104   19   parsed_2m89   1   
        103   "24 H 24 N -13.020"      105   1   105   18   parsed_2m89   1   
        104   "172 H 172 N -13.020"    106   1   106   20   parsed_2m89   1   
        105   "25 H 25 N -16.021"      107   1   107   18   parsed_2m89   1   
        106   "173 H 173 N -16.021"    108   1   108   20   parsed_2m89   1   
        107   "26 H 26 N -11.531"      109   1   109   18   parsed_2m89   1   
        108   "174 H 174 N -11.531"    110   1   110   20   parsed_2m89   1   
        109   "27 H 27 N -8.406"       111   1   111   17   parsed_2m89   1   
        110   "175 H 175 N -8.406"     112   1   112   19   parsed_2m89   1   
        111   "30 H 30 N -8.468"       113   1   113   17   parsed_2m89   1   
        112   "178 H 178 N -8.468"     114   1   114   19   parsed_2m89   1   
        113   "42 H 42 N -8.107"       115   1   115   17   parsed_2m89   1   
        114   "190 H 190 N -8.107"     116   1   116   19   parsed_2m89   1   
        115   "45 H 45 N -1.184"       117   1   117   17   parsed_2m89   1   
        116   "193 H 193 N -1.184"     118   1   118   19   parsed_2m89   1   
        117   "55 H 55 N -9.835"       119   1   119   17   parsed_2m89   1   
        118   "203 H 203 N -9.835"     120   1   120   19   parsed_2m89   1   
        119   "56 H 56 N -9.853"       121   1   121   17   parsed_2m89   1   
        120   "204 H 204 N -9.853"     122   1   122   19   parsed_2m89   1   
        121   "58 H 58 N 4.302"        123   1   123   16   parsed_2m89   1   
        122   "206 H 206 N 4.302"      124   1   124   18   parsed_2m89   1   
        123   "60 H 60 N -11.125"      125   1   125   18   parsed_2m89   1   
        124   "208 H 208 N -11.125"    126   1   126   20   parsed_2m89   1   
        125   "62 H 62 N -16.056"      127   1   127   18   parsed_2m89   1   
        126   "210 H 210 N -16.056"    128   1   128   20   parsed_2m89   1   
        127   "66 H 66 N -15.352"      129   1   129   18   parsed_2m89   1   
        128   "214 H 214 N -15.352"    130   1   130   20   parsed_2m89   1   
        129   "67 H 67 N -9.277"       131   1   131   17   parsed_2m89   1   
        130   "215 H 215 N -9.277"     132   1   132   19   parsed_2m89   1   
        131   "68 H 68 N -15.561"      133   1   133   18   parsed_2m89   1   
        132   "216 H 216 N -15.561"    134   1   134   20   parsed_2m89   1   
        133   "70 H 70 N -6.094"       135   1   135   17   parsed_2m89   1   
        134   "218 H 218 N -6.094"     136   1   136   19   parsed_2m89   1   
        135   "71 H 71 N 0.527"        137   1   137   16   parsed_2m89   1   
        136   "219 H 219 N 0.527"      138   1   138   18   parsed_2m89   1   
        137   "83 H 83 N -1.402"       139   1   139   17   parsed_2m89   1   
        138   "231 H 231 N -1.402"     140   1   140   19   parsed_2m89   1   
        139   "84 H 84 N -9.629"       141   1   141   17   parsed_2m89   1   
        140   "232 H 232 N -9.629"     142   1   142   19   parsed_2m89   1   
        141   "85 H 85 N -14.692"      143   1   143   18   parsed_2m89   1   
        142   "233 H 233 N -14.692"    144   1   144   20   parsed_2m89   1   
        143   "86 H 86 N -11.653"      145   1   145   18   parsed_2m89   1   
        144   "234 H 234 N -11.653"    146   1   146   20   parsed_2m89   1   
        145   "88 H 88 N -12.209"      147   1   147   18   parsed_2m89   1   
        146   "236 H 236 N -12.209"    148   1   148   20   parsed_2m89   1   
        147   "89 H 89 N -11.431"      149   1   149   18   parsed_2m89   1   
        148   "237 H 237 N -11.431"    150   1   150   20   parsed_2m89   1   
        149   "90 H 90 N -14.482"      151   1   151   18   parsed_2m89   1   
        150   "238 H 238 N -14.482"    152   1   152   20   parsed_2m89   1   
        151   "95 H 95 N -0.333"       153   1   153   17   parsed_2m89   1   
        152   "243 H 243 N -0.333"     154   1   154   19   parsed_2m89   1   
        153   "96 H 96 N -2.722"       155   1   155   17   parsed_2m89   1   
        154   "244 H 244 N -2.722"     156   1   156   19   parsed_2m89   1   
        155   "97 H 97 N -9.855"       157   1   157   17   parsed_2m89   1   
        156   "245 H 245 N -9.855"     158   1   158   19   parsed_2m89   1   
        157   "99 H 99 N -10.095"      159   1   159   18   parsed_2m89   1   
        158   "247 H 247 N -10.095"    160   1   160   20   parsed_2m89   1   
        159   "101 H 101 N -5.948"     161   1   161   19   parsed_2m89   1   
        160   "249 H 249 N -5.948"     162   1   162   19   parsed_2m89   1   
        161   "102 H 102 N -12.795"    163   1   163   20   parsed_2m89   1   
        162   "250 H 250 N -12.795"    164   1   164   20   parsed_2m89   1   
        163   "111 H 111 N -7.054"     165   1   165   19   parsed_2m89   1   
        164   "259 H 259 N -7.054"     166   1   166   19   parsed_2m89   1   
        165   "112 H 112 N -0.706"     167   1   167   19   parsed_2m89   1   
        166   "260 H 260 N -0.706"     168   1   168   19   parsed_2m89   1   
        167   "114 H 114 N -3.060"     169   1   169   19   parsed_2m89   1   
        168   "262 H 262 N -3.060"     170   1   170   19   parsed_2m89   1   
        169   "115 H 115 N -4.480"     171   1   171   19   parsed_2m89   1   
        170   "263 H 263 N -4.480"     172   1   172   19   parsed_2m89   1   
        171   "116 H 116 N 4.222"      173   1   173   18   parsed_2m89   1   
        172   "264 H 264 N 4.222"      174   1   174   18   parsed_2m89   1   
        173   "119 H 119 N -9.839"     175   1   175   19   parsed_2m89   1   
        174   "267 H 267 N -9.839"     176   1   176   19   parsed_2m89   1   
        175   "123 H 123 N -9.264"     177   1   177   19   parsed_2m89   1   
        176   "271 H 271 N -9.264"     178   1   178   19   parsed_2m89   1   
        177   "128 H 128 N -5.781"     179   1   179   19   parsed_2m89   1   
        178   "276 H 276 N -5.781"     180   1   180   19   parsed_2m89   1   
        179   "129 H 129 N -11.580"    181   1   181   20   parsed_2m89   1   
        180   "277 H 277 N -11.580"    182   1   182   20   parsed_2m89   1   
        181   "130 H 130 N -5.689"     183   1   183   19   parsed_2m89   1   
        182   "278 H 278 N -5.689"     184   1   184   19   parsed_2m89   1   
        183   "131 H 131 N 2.291"      185   1   185   18   parsed_2m89   1   
        184   
;
279 H 279 N 2.291

;
   186   1   187    1   parsed_2m89   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, May 17, 2024 9:39:37 AM GMT (wattos1)