NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type
31668 1esk cing 2-parsed STAR comment


data_1esk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1esk 
    _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_1esk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1esk 
    _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   1esk   "Master copy"    parsed_1esk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1esk 
    _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   1esk.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1esk   1   
        1   1esk.mr   .   .    DISCOVER      2    distance                  NOE                 simple             0   parsed_1esk   1   
        1   1esk.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"    0   parsed_1esk   1   
        1   1esk.mr   .   .    DISCOVER      4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1esk   1   
        1   1esk.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1esk   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_1esk 
    _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    VIRUS/VIRAL PROTEIN                     10-APR-00   1ESK              
*TITLE     SOLUTION STRUCTURE OF NCP7 FROM HIV-1                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAG POLYPROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 12-53;                                            
*COMPND   5 SYNONYM: NUCLEOCAPSID PROTEIN NCP7;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS NATURALLY FOUND IN HUMAN IMMUNODEFICIENCY                
*SOURCE   5 VIRUS TYPE 1 (HIV-1).                                                
*KEYWDS    (12-53)NCP7, HIV-1, PROTEIN, STRUCTURE, NMR                           
*EXPDTA    NMR, 9 STRUCTURES                                                     
*AUTHOR    N.MORELLET, H.DEMENE, V.TEILLEUX, T.HUYNH-DINH, H.DE                  
*AUTHOR   2 ROCQUIGNY, M.-C.FOURNIE-ZALUSKI, B.P.ROQUES                          
*REVDAT   1   21-APR-00 1ESK    0                                                
!BIOSYM restraint 1
!
!
#remote_prochiral_center
1:VAL_13:HG1*   1:VAL_13:HG2*   1:VAL_13:CG1    1:VAL_13:CG2    1:VAL_13:CB
!
!
#chiral
1:ASNN_12:CA       S
1:VAL_13:CA        S
1:LYS_14:CA        S
1:CYS_15:CA        R
1:PHE_16:CA        S
1:ASN_17:CA        S
1:CYS_18:CA        R
1:GLY_19:CA        S
1:LYS_20:CA        S
1:GLU_21:CA        S
1:GLY_22:CA        S
1:HISD_23:CA       S
1:THR_24:CA        S
1:ALA_25:CA        S
1:ARG_26:CA        S
1:ASN_27:CA        S
1:CYS_28:CA        R
1:ARG_29:CA        S
1:ALA_30:CA        S
1:PRO_31:CA        S
1:ARG_32:CA        S
1:LYS_33:CA        S
1:LYS_34:CA        S
1:GLY_35:CA        S
1:CYS_36:CA        R
1:TRP_37:CA        S
1:LYS_38:CA        S
1:CYS_39:CA        R
1:GLY_40:CA        S
1:LYS_41:CA        S
1:GLU_42:CA        S
1:GLY_43:CA        S
1:HISD_44:CA       S
1:GLN_45:CA        S
1:MET_46:CA        S
1:LYS_47:CA        S
1:ASP_48:CA        S
1:CYS_49:CA        R
1:THR_50:CA        S
1:GLU_51:CA        S
1:ARG_52:CA        S
1:GLNC_53:CA       S
1:THR_24:CB        R
1:THR_50:CB        R
!
!
#NOE_distance
;

save_





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