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
642936 6u3s 30656 cing 2-parsed STAR distance PRE


data_6u3s_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6u3s 
    _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_6u3s   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6u3s 
    _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   6u3s   "Master copy"    parsed_6u3s   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6u3s 
    _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   6u3s.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6u3s   1   
        1   6u3s.mr   .   .    DYANA/DIANA   2   "dipolar coupling"        "Not applicable"    "Not applicable"    0   parsed_6u3s   1   
        1   6u3s.mr   .   .    DYANA/DIANA   3    distance                  PRE                "Not applicable"    0   parsed_6u3s   1   
        1   6u3s.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6u3s   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_6u3s 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     PRE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   "Restraints file 3: NOES_PRES.cst"    1   1   1   34   parsed_6u3s   1   
    stop_


    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   
;
AmbiguousNMRDistance    CA   106     H    25 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    26 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    28 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    30 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    32 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    34 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance    CA   106     H    36 BOUNDED 1.5 17.150 0.3 NOE; rawdata 17.000
AmbiguousNMRDistance     H     5     H     7 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H     9     H    11 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    13     H    15 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    16     H    19 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    16     H    18 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    16     H    20 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    18     H    20 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    19     H    16 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    20     H    24 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    23     H    25 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    26     H    24 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    26     H    28 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    27     H    29 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    28     H    30 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    32     H    30 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    38     H    40 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    41     H    40 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    41     H    42 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    42     H    44 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    45     H    47 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    47     H    49 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    48     H    50 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    50     H    52 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    54     H    56 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    55     H    57 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    55     H    53 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    56     H    54 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    56     H    58 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    57     H    55 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    57     H    59 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    59     H    63 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    61     H    63 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    62     H    60 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    63     H    65 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    64     H    66 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    67     H    68 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    67     H    66 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    67     H    65 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    67     H    69 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    68     H    66 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    70     H    68 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    90     H    92 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    90     H    89 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    90     H    91 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    91     H    92 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    92     H    93 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    95     H    94 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    96     H    95 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    98     H   100 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H    99     H   101 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H    99     H   102 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   100     H   102 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   102     H   103 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H   102     H   101 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance     H   102     H   104 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   103     H   101 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   104     H   106 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   105     H   107 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance     H   106     H   108 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance   QQG     3     H    59 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG    50     H    28 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG     8     H    50 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG     8     H    53 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG     8     H    59 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQD     9     H    23 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQD     9     H    53 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQD     9     H    54 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QD1    20     H    15 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QD1    20     H    16 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG    50     H    28 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQD    57     H     6 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG     8   QQG     3 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG    11   QQD    57 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QQG    11   QQD     9 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QD1    20   QQG    11 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QD1    20   QQD    57 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QD1    20   QQD     9 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QQG    50   QQD    27 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QQD    57   QQD     9 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QQD     9   QQD    27 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance   QQD    27   HE1    31 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG   100     H    55 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance   QQG   100     H    56 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 H    143    H 	 154 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    145    H 	 152 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    147    H 	 150 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    147    H 	 149 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    151    H 	 170 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    153    H 	 168 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    155    H 	 166 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    163    H 	 179 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    165    H 	 177 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    167    H 	 175 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    167    H 	 174 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    167    H 	 166 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    169    H 	 172 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    169    H 	 171 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    169    H 	 174 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    172    H 	 171 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    172    H 	 170 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    175    H 	 174 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    178    H 	 181 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    178    H 	 180 BOUNDED 1.5 5.150 0.3 NOE; rawdata 5.000
AmbiguousNMRDistance 	 H    181    H 	 180 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 H    186    H 	 185 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 QD1  152    H 	 144 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  152    QQG 147 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  152    H 	 150 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  152    H 	 151 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  152    H 	 169 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  152    H 	 170 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  157    H 	 166 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  165    H 	 155 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  165    H 	 157 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  165    H 	 166 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  165    H 	 173 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  167    H 	 155 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  167    H 	 165 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  167    QQG 165 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  167    H 	 168 BOUNDED 1.5 4.150 0.3 NOE; rawdata 4.000
AmbiguousNMRDistance 	 QQG  167    H 	 175 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  173    H 	 167 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  173    H 	 174 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  173    H 	 175 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  173    QQD 184 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  176    H 	 177 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QD1  178    H 	 177 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  184    H 	 183 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  184    H 	 185 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQD  185    H 	 186 BOUNDED 1.5 6.150 0.3 NOE; rawdata 6.000
AmbiguousNMRDistance 	 QQG  147    QD1 152 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance 	 QD1  157    QD1 140 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance 	 QQD  176    QQD 173 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
AmbiguousNMRDistance 	 QQD  176    QD1 178 BOUNDED 1.5 8.150 0.3 NOE; rawdata 8.000
;
   2   1   142   86   parsed_6u3s   1   
    stop_

save_





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