BMRB

NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage program type
30236 1c49 RC 4760 cing recoord 2-parsed STAR comment


data_1c49_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1c49 
    _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_1c49   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1c49 
    _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   1c49   "Master copy"    parsed_1c49   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1c49 
    _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   1c49.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             281   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            3    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             144   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            5    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      6    distance                 "hydrogen bond"      simple               0   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            7    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    n/a            9    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .    n/a           11    comment                  "Not applicable"    "Not applicable"      0   parsed_1c49   1   
        1   1c49.mr   .   .   "MR format"    12   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1c49   1   
    stop_

save_


save_MR_file_comment_5
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1c49 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            5 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
!!!!!!NOTE
! for ROESY (ptkb_roe75_prst.mat)
!contour level - 0.35
!number of contours - 12
!level multipler - 1.4
!strong (9+ contours)  = 1.8 0 1.0 (1.8 to 2.8 angstroms)
!medium (8-6 contours) = 1.8 0 1.5 (1.8 to 3.3 angstroms)
!weak (5-3 contours) = 1.8 0 3.2 (1.8 to 5.0 angstroms)
!very weak (1-2 contours) = 1.8 0 4.2 (1.8 to 6.0 angstroms)






!!!Strengths
!!!Strong     1.8 to 2.8 angstroms
!!!Medium     1.8 to 3.3 angstroms
!!!Weak       1.8 to 5.0 angstroms
!!!Very Weak  1.8 to 6.0 angstroms


!! hydrogenKb_310cap.tbl--hydrogen bonds for PiTx-Kbeta, derived from D2O 
!!              exchange data (DQF cosy expts. at 0.5, 2.5, and 97.5 hrs after 
!!              exchange.  TT 1/15/97 

;

save_