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 subtype subsubtype
567937 2m05 18794 cing 2-parsed STAR distance hydrogen bond simple


data_2m05_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m05 
    _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_2m05   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m05 
    _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   2m05   "Master copy"    parsed_2m05   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m05 
    _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   2m05.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2m05   1   
        1   2m05.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1056   parsed_2m05   1   
        1   2m05.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple                0   parsed_2m05   1   
        1   2m05.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2m05   1   
        1   2m05.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2m05   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m05 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

         1   "assign (resid 138 and name    N) (resid 138 and name   HN) (resid 192 and name    O)"     1   1    1   84   parsed_2m05   1   
         2   "assign (resid 140 and name    N) (resid 140 and name   HN) (resid 190 and name    O)"     2   1    2   84   parsed_2m05   1   
         3   "assign (resid 142 and name    N) (resid 142 and name   HN) (resid 188 and name    O)"     3   1    3   84   parsed_2m05   1   
         4   "assign (resid 144 and name    N) (resid 144 and name   HN) (resid 142 and name   OG)"     4   1    4   84   parsed_2m05   1   
         5   "assign (resid 148 and name    N) (resid 148 and name   HN) (resid 148 and name  OD1)"     5   1    5   84   parsed_2m05   1   
         6   "assign (resid 151 and name    N) (resid 151 and name   HN) (resid 148 and name  OD2)"     6   1    6   84   parsed_2m05   1   
         7   "assign (resid 152 and name    N) (resid 152 and name   HN) (resid 148 and name    O)"     7   1    7   84   parsed_2m05   1   
         8   "assign (resid 152 and name  NE1) (resid 152 and name  HE1) (resid 187 and name    O)"     8   1    8   84   parsed_2m05   1   
         9   "assign (resid 153 and name    N) (resid 153 and name   HN) (resid 149 and name    O)"     9   1    9   84   parsed_2m05   1   
        10   "assign (resid 154 and name    N) (resid 154 and name   HN) (resid 150 and name    O)"    10   1   10   84   parsed_2m05   1   
        11   "assign (resid 155 and name    N) (resid 155 and name   HN) (resid 151 and name    O)"    11   1   11   84   parsed_2m05   1   
        12   "assign (resid 156 and name    N) (resid 156 and name   HN) (resid 152 and name    O)"    12   1   12   84   parsed_2m05   1   
        13   "assign (resid 157 and name    N) (resid 157 and name   HN) (resid 153 and name    O)"    13   1   13   84   parsed_2m05   1   
        14   "assign (resid 158 and name    N) (resid 158 and name   HN) (resid 154 and name    O)"    14   1   14   84   parsed_2m05   1   
        15   "assign (resid 159 and name    N) (resid 159 and name   HN) (resid 155 and name    O)"    15   1   15   84   parsed_2m05   1   
        16   "assign (resid 160 and name    N) (resid 160 and name   HN) (resid 156 and name    O)"    16   1   16   84   parsed_2m05   1   
        17   "assign (resid 161 and name    N) (resid 161 and name   HN) (resid 157 and name    O)"    17   1   17   84   parsed_2m05   1   
        18   "assign (resid 162 and name    N) (resid 162 and name   HN) (resid 158 and name    O)"    18   1   18   84   parsed_2m05   1   
        19   "assign (resid 163 and name    N) (resid 163 and name   HN) (resid 159 and name    O)"    19   1   19   84   parsed_2m05   1   
        20   "assign (resid 169 and name    N) (resid 169 and name   HN) (resid 165 and name    O)"    20   1   20   84   parsed_2m05   1   
        21   "assign (resid 172 and name    N) (resid 172 and name   HN) (resid 195 and name    O)"    21   1   21   84   parsed_2m05   1   
        22   "assign (resid 174 and name    N) (resid 174 and name   HN) (resid 193 and name    O)"    22   1   22   84   parsed_2m05   1   
        23   "assign (resid 175 and name    N) (resid 175 and name   HN) (resid 193 and name    O)"    23   1   23   84   parsed_2m05   1   
        24   "assign (resid 176 and name    N) (resid 176 and name   HN) (resid 175 and name   OG)"    24   1   24   84   parsed_2m05   1   
        25   "assign (resid 177 and name    N) (resid 177 and name   HN) (resid 191 and name    O)"    25   1   25   84   parsed_2m05   1   
        26   "assign (resid 179 and name    N) (resid 179 and name   HN) (resid 189 and name    O)"    26   1   26   84   parsed_2m05   1   
        27   "assign (resid 180 and name    N) (resid 180 and name   HN) (resid 189 and name    O)"    27   1   27   84   parsed_2m05   1   
        28   "assign (resid 182 and name    N) (resid 182 and name   HN) (resid 186 and name    O)"    28   1   28   84   parsed_2m05   1   
        29   "assign (resid 186 and name    N) (resid 186 and name   HN) (resid 183 and name    O)"    29   1   29   84   parsed_2m05   1   
        30   "assign (resid 187 and name    N) (resid 187 and name   HN) (resid 147 and name    O)"    30   1   30   84   parsed_2m05   1   
        31   "assign (resid 188 and name    N) (resid 188 and name   HN) (resid 180 and name    O)"    31   1   31   84   parsed_2m05   1   
        32   "assign (resid 189 and name    N) (resid 189 and name   HN) (resid 180 and name    O)"    32   1   32   84   parsed_2m05   1   
        33   "assign (resid 190 and name    N) (resid 190 and name   HN) (resid 140 and name    O)"    33   1   33   84   parsed_2m05   1   
        34   "assign (resid 191 and name    N) (resid 191 and name   HN) (resid 177 and name    O)"    34   1   34   84   parsed_2m05   1   
        35   "assign (resid 192 and name    N) (resid 192 and name   HN) (resid 138 and name    O)"    35   1   35   84   parsed_2m05   1   
        36   "assign (resid 193 and name    N) (resid 193 and name   HN) (resid 175 and name    O)"    36   1   36   84   parsed_2m05   1   
        37   "assign (resid 194 and name    N) (resid 194 and name   HN) (resid 136 and name    O)"    37   1   37   84   parsed_2m05   1   
        38   "assign (resid 195 and name    N) (resid 195 and name   HN) (resid 172 and name    O)"    38   1   38   84   parsed_2m05   1   
    stop_

save_





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