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
635684 6fzk 34246 cing 2-parsed STAR dihedral angle


data_6fzk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6fzk 
    _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_6fzk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6fzk 
    _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   6fzk   "Master copy"    parsed_6fzk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6fzk 
    _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   6fzk.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_6fzk   1   
        1   6fzk.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1974   parsed_6fzk   1   
        1   6fzk.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_6fzk   1   
        1   6fzk.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_6fzk   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_6fzk 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   
;
# Restraints file 3: pred_Talos_UB2H.aco
 108   GLY  PHI      64.0   104.0
 108   GLY  PSI     -28.0    16.0
 109   ARG  PHI    -129.0    11.0
 109   ARG  PSI      65.0   205.0
 110   MET  PHI    -137.0     3.0
 110   MET  PSI      96.0   168.0
 111   VAL  PHI    -158.0   -50.0
 111   VAL  PSI     110.0   150.0
 112   ASN  PHI    -156.0   -52.0
 112   ASN  PSI     112.0   168.0
 113   LEU  PHI    -148.0   -52.0
 113   LEU  PSI      81.0   189.0
 114   GLU  PHI    -178.0   -78.0
 114   GLU  PSI      40.0   180.0
 116   ASP  PHI      39.0    79.0
 116   ASP  PSI     -20.0    96.0
 117   MET  PHI    -121.0   -45.0
 117   MET  PSI     105.0   153.0
 118   THR  PHI    -143.0   -59.0
 118   THR  PSI      78.0   166.0
 119   ILE  PHI    -160.0   -88.0
 119   ILE  PSI     106.0   170.0
 120   SER  PHI    -136.0   -68.0
 120   SER  PSI     135.0   179.0
 121   LYS  PHI     -81.0   -41.0
 121   LYS  PSI     -61.0   -21.0
 122   ASN  PHI     -81.0   -41.0
 122   ASN  PSI     -60.0   -20.0
 123   GLU  PHI     -84.0   -44.0
 123   GLU  PSI     -62.0   -22.0
 124   MET  PHI     -83.0   -43.0
 124   MET  PSI     -62.0   -22.0
 125   VAL  PHI     -83.0   -43.0
 125   VAL  PSI     -65.0   -25.0
 126   LYS  PHI     -84.0   -44.0
 126   LYS  PSI     -61.0   -21.0
 127   LEU  PHI     -84.0   -44.0
 127   LEU  PSI     -65.0   -25.0
 128   LEU  PHI     -81.0   -41.0
 128   LEU  PSI     -66.0   -26.0
 129   GLU  PHI     -87.0   -47.0
 129   GLU  PSI     -60.0   -20.0
 130   ALA  PHI     -85.0   -45.0
 130   ALA  PSI     -45.0    -5.0
 131   THR  PHI    -118.0   -70.0
 131   THR  PSI      -5.0    35.0
 132   GLN  PHI      42.0    82.0
 132   GLN  PSI      -3.0    61.0
 133   TYR  PHI    -147.0   -63.0
 133   TYR  PSI     129.0   169.0
 134   ARG  PHI    -149.0   -93.0
 134   ARG  PSI     116.0   164.0
 135   GLN  PHI    -132.0   -52.0
 135   GLN  PSI      79.0   179.0
 136   VAL  PHI    -143.0   -63.0
 136   VAL  PSI     135.0   191.0
 137   SER  PHI    -120.0   -60.0
 137   SER  PSI     -46.0    18.0
 138   LYS  PHI    -159.0   -39.0
 138   LYS  PSI     106.0   146.0
 139   MET  PHI    -116.0   -56.0
 139   MET  PSI     107.0   159.0
 140   THR  PHI    -157.0   -77.0
 140   THR  PSI     124.0   164.0
 141   ARG  PHI    -151.0   -95.0
 141   ARG  PSI      56.0   196.0
 143   GLY  PHI      33.0   117.0
 143   GLY  PSI     -48.0    76.0
 144   GLU  PHI    -169.0   -73.0
 144   GLU  PSI     136.0   176.0
 145   PHE  PHI    -167.0  -111.0
 145   PHE  PSI     135.0   175.0
 146   THR  PHI    -162.0   -90.0
 146   THR  PSI     128.0   172.0
 147   VAL  PHI    -124.0   -48.0
 147   VAL  PSI     111.0   167.0
 150   ASN  PHI    -135.0   -83.0
 150   ASN  PSI     -57.0    43.0
 151   SER  PHI    -187.0   -91.0
 151   SER  PSI     125.0   189.0
 152   ILE  PHI    -165.0   -97.0
 152   ILE  PSI     101.0   173.0
 153   GLU  PHI    -149.0   -93.0
 153   GLU  PSI     107.0   175.0
 154   MET  PHI    -161.0  -105.0
 154   MET  PSI     125.0   169.0
 155   ILE  PHI    -127.0   -63.0
 155   ILE  PSI      94.0   150.0
 156   ARG  PHI    -157.0   -37.0
 156   ARG  PSI      89.0   197.0
 157   ARG  PHI    -120.0   -36.0
 157   ARG  PSI      91.0   175.0
 159   PHE  PHI    -152.0   -64.0
 159   PHE  PSI      96.0   164.0
 160   ASP  PHI    -130.0    10.0
 160   ASP  PSI      78.0   218.0
 161   PHE  PHI    -116.0   -44.0
 161   PHE  PSI     101.0   181.0
 163   ASP  PHI     -98.0   -58.0
 163   ASP  PSI     -46.0    18.0
 164   SER  PHI    -161.0   -21.0
 164   SER  PSI     100.0   168.0
 165   LYS  PHI    -147.0    -7.0
 165   LYS  PSI      83.0   167.0
 166   GLU  PHI    -165.0   -41.0
 166   GLU  PSI     108.0   188.0
 167   GLY  PHI     -79.0    61.0
 167   GLY  PSI      85.0   225.0
 168   GLN  PHI    -149.0   -45.0
 168   GLN  PSI      80.0   184.0
 169   VAL  PHI    -151.0   -91.0
 169   VAL  PSI     112.0   156.0
 170   ARG  PHI    -154.0   -78.0
 170   ARG  PSI     103.0   143.0
 171   ALA  PHI    -163.0   -87.0
 171   ALA  PSI     110.0   178.0
 172   ARG  PHI    -148.0   -80.0
 172   ARG  PSI      99.0   147.0
 173   LEU  PHI    -144.0   -76.0
 173   LEU  PSI      91.0   155.0
 174   THR  PHI    -155.0   -87.0
 174   THR  PSI      93.0   169.0
 175   PHE  PHI    -160.0   -52.0
 175   PHE  PSI      94.0   178.0
 176   ASP  PHI    -155.0   -63.0
 176   ASP  PSI      70.0   170.0
 177   GLY  PHI      49.0    89.0
 177   GLY  PSI    -144.0  -104.0
 178   ASP  PHI    -109.0   -61.0
 178   ASP  PSI     -73.0    27.0
 179   HIS  PHI    -191.0   -95.0
 179   HIS  PSI     114.0   166.0
 180   LEU  PHI    -110.0   -54.0
 180   LEU  PSI      88.0   168.0
 181   ALA  PHI    -106.0   -66.0
 181   ALA  PSI     -66.0   -26.0
 182   THR  PHI    -184.0  -128.0
 182   THR  PSI     134.0   174.0
 183   ILE  PHI    -158.0  -102.0
 183   ILE  PSI     105.0   145.0
 184   VAL  PHI    -150.0   -78.0
 184   VAL  PSI     101.0   157.0
 185   ASN  PHI    -104.0   -64.0
 185   ASN  PSI      96.0   136.0
 186   MET  PHI     -91.0   -35.0
 186   MET  PSI     -48.0    -4.0
 187   GLU  PHI    -103.0   -43.0
 187   GLU  PSI     -60.0     8.0
 188   ASN  PHI    -131.0   -79.0
 188   ASN  PSI     -25.0    27.0
 189   ASN  PHI      26.0    98.0
 189   ASN  PSI      -2.0    62.0
 190   ARG  PHI    -126.0    14.0
 190   ARG  PSI      98.0   178.0
 191   GLN  PHI    -143.0    -3.0
 191   GLN  PSI      79.0   163.0
 192   PHE  PHI    -143.0   -19.0
 192   PHE  PSI     110.0   170.0
 193   GLY  PHI      47.0   115.0
 193   GLY  PSI     -34.0    58.0
 194   PHE  PHI    -147.0   -87.0
 194   PHE  PSI     102.0   174.0
 195   PHE  PHI    -151.0   -87.0
 195   PHE  PSI     102.0   150.0
 196   ARG  PHI    -140.0   -84.0
 196   ARG  PSI     110.0   154.0
 197   LEU  PHI    -141.0   -53.0
 197   LEU  PSI     111.0   171.0
 198   ASP  PHI    -154.0   -54.0
 198   ASP  PSI      72.0   196.0
;
   1   1   171   33   parsed_6fzk   1   
    stop_

save_





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