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
569582 2m5m 19060 cing 2-parsed STAR comment 

data_2m5m_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m5m 
    _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_2m5m   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m5m 
    _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   2m5m   "Master copy"    parsed_2m5m   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m5m 
    _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   2m5m.mr   .   .   "MR format"    1    comment            "Not applicable"      "Not applicable"    0   parsed_2m5m   1   
        1   2m5m.mr   .   .    XPLOR/CNS     2    distance            NOE                   simple             0   parsed_2m5m   1   
        1   2m5m.mr   .   .    XPLOR/CNS     3    distance            NOE                   simple             0   parsed_2m5m   1   
        1   2m5m.mr   .   .    XPLOR/CNS     4    distance           "general distance"     simple             0   parsed_2m5m   1   
        1   2m5m.mr   .   .    XPLOR/CNS     5   "dihedral angle"    "Not applicable"      "Not applicable"    0   parsed_2m5m   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2m5m 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER    PROTEIN FIBRIL                          27-FEB-13   2M5M              
*TITLE     ATOMIC-RESOLUTION STRUCTURE OF A TRIPLET CROSS-BETA AMYLOID FIBRIL    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSTHYRETIN;                                             
*COMPND   3 CHAIN: A, B, C, D, E, F, G, H, I, J, K, L;                           
*COMPND   4 FRAGMENT: RESIDUES 125-135;                                          
*COMPND   5 SYNONYM: PREALBUMIN, TBPA;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   4 ORGANISM_COMMON: RAT;                                                
*SOURCE   5 ORGANISM_TAXID: 10116                                                
*KEYWDS    AMYLOID FIBRIL, CROSS-BETA STRUCTURE, PROTEIN FIBRIL                  
*EXPDTA    SOLID-STATE NMR; ELECTRON MICROSCOPY                                  
*AUTHOR    A.W.P.FITZPATRICK,G.T.DEBELOUCHINA,M.J.BAYRO,D.K.CLARE,M.A.CAPORINI,  
*AUTHOR   2 V.S.BAJAJ,C.P.JARONIEC,L.WANG,V.LADIZHANSKY,S.MULLER,C.E.MACPHEE,    
*AUTHOR   3 C.A.WAUDBY,H.R.MOTT,A.DE SIMONE,T.P.J.KNOWLES,H.R.SAIBIL,            
*AUTHOR   4 M.VENDRUSCOLO,E.V.ORLOVA,R.G.GRIFFIN,C.M.DOBSON                      
*REVDAT   1   04-DEC-13 2M5M    0                                                

# EXPERIMENTAL NMR RESTRAINTS USED 
# TO DETERMINE THE STRUCTURE OF 
# A TRIPLET AMYLOID FIBRIL FORMED 
# BY TRANSTHYRETIN 105-115

# AMINO ACID SEQUENCE: YTIAALLSPYS

# CARBON-NITROGEN DISTANCE RESTRAINTS IN CNS FORMAT
# AMINO ACID SEQUENCE: YTIAALLSPYS
# 1:Y105,2:T106,3:I107,4:A108,5:A109,6:L110,7:L111,8:S112,9:P113,10:Y114
# 11:S115

;

save_

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