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
	492208	2k4w	15112	cing	2-parsed	STAR	distance	general distance	simple

data_2k4w_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2k4w 
    _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_2k4w   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2k4w 
    _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   2k4w   "Master copy"    parsed_2k4w   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2k4w 
    _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   2k4w.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"        0   parsed_2k4w   1   
        1   2k4w.mr   .   .    AMBER         2    distance                  NOE                   simple             10605   parsed_2k4w   1   
        1   2k4w.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     simple                 0   parsed_2k4w   1   
        1   2k4w.mr   .   .    AMBER         4   "dihedral angle"          "Not applicable"      "Not applicable"        0   parsed_2k4w   1   
        1   2k4w.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"        0   parsed_2k4w   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2k4w 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _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   
;
#
# 155  CU  CU    48 HIE   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2191, 689, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 155  CU  CU    50 HID   NE2      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2191, 729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 155  CU  CU   128 HID   NE2      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2191,1833, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    73 HIC   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    82 HIF   ND1      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1143, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    90 HIG   ND1      2.80   
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 156  ZN  ZN    93 ASM   OD1      2.80  
 &rst
  ixpk= 0, nxpk= 0, iat=2192,1285, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
# 2192 atoms read from pdb file ../PreP_PDB/str_1/prm_1.pdb.
;
   1   1   29   60   parsed_2k4w   1   
    stop_

save_

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