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
	575931	2m7t	19205	cing	2-parsed	STAR	dihedral angle

data_2m7t_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m7t 
    _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_2m7t   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m7t 
    _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   2m7t   "Master copy"    parsed_2m7t   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m7t 
    _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   2m7t.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2m7t   1   
        1   2m7t.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_2m7t   1   
        1   2m7t.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"        simple             0   parsed_2m7t   1   
        1   2m7t.mr   .   .    DYANA/DIANA   4    distance                  NOE                   simple             0   parsed_2m7t   1   
        1   2m7t.mr   .   .    DYANA/DIANA   5    distance                 "general distance"     simple             0   parsed_2m7t   1   
        1   2m7t.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2m7t   1   
    stop_

save_


save_CNS/XPLOR_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2m7t 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _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   
;
10   ALA  PHI    -111.2   -52.5
  10   ALA  PSI     106.3   174.5
  11   PRO  PSI     124.3   167.7
  12   THR  PHI    -151.2   -64.1
  12   THR  PSI     104.9   152.3
  13   SER  PHI    -153.6   -46.6
  13   SER  PSI      79.6   184.0
  14   CYSS  PHI    -170.0  -119.2
  14   CYSS  PSI     144.1   184.1
  16   GLN  PHI    -192.8   -57.2
  16   GLN  PSI     142.2   183.8
  17   ASP  PHI     -77.0   -37.0
  17   ASP  PSI     -65.5   -25.5
  18   SER  PHI     -90.4   -50.4
  18   SER  PSI     -49.3    17.1
  19   ASP  PHI    -120.8   -53.4
  19   ASP  PSI     -63.3    35.7
  22   ALA  PHI     -83.2   -36.8
  22   ALA  PSI     114.5   154.5
  23   GLY  PHI      65.1   118.1
  23   GLY  PSI     -33.2     6.8
  24   CYSS  PHI    -158.4   -52.2
  24   CYSS  PSI     132.9   172.9
  28   PRO  PSI     -57.3    -0.3
  29   ASN  PHI    -105.5   -65.5
  29   ASN  PSI     -24.7    24.3
  30   GLY  PHI      50.3   102.4
  30   GLY  PSI     -12.8    58.5
  31   PHE  PHI    -163.6   -58.2
  31   PHE  PSI     122.0   168.6
  32   CYSS  PHI    -141.9   -52.6
  32   CYSS  PSI      78.2   175.7
;
   1   3   32   34   parsed_2m7t   1   
    stop_

save_

Contact the webmaster for help, if required. Saturday, June 8, 2024 2:20:02 AM GMT (wattos1)