data_17130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17130 _Entry.Title ; Zif 268 with 12bp DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-16 _Entry.Accession_date 2010-08-16 _Entry.Last_release_date 2010-09-24 _Entry.Original_release_date 2010-09-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuki Takayama . . . 17130 2 Debashish Sahu . . . 17130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 17130 '15N chemical shifts' 82 17130 '1H chemical shifts' 82 17130 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-09-24 2010-08-16 original author . 17130 stop_ save_ ############### # Citations # ############### save_Biochemistry _Citation.Sf_category citations _Citation.Sf_framecode Biochemistry _Citation.Entry_ID 17130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20718505 _Citation.Full_citation . _Citation.Title 'NMR studies of translocation of the Zif268 protein between its target DNA Sites.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 37 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7998 _Citation.Page_last 8005 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yuki Takayama . . . 17130 1 2 Debashish Sahu . . . 17130 1 3 Junji Iwahara . . . 17130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17130 _Assembly.ID 1 _Assembly.Name zif268-12bpDNA _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 zif268 1 $zif268 A . yes native no no . . . 17130 1 2 zinc1 3 $ZN A . no native no no . . . 17130 1 3 zinc2 3 $ZN A . no native no no . . . 17130 1 4 zinc3 3 $ZN A . no native no no . . . 17130 1 5 '12bp DNA' 2 $12bp_DNA B . no native no no . . . 17130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_zif268 _Entity.Sf_category entity _Entity.Sf_framecode zif268 _Entity.Entry_ID 17130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name zif268 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PERPYACPVESCDRRFSRSD ELTRHIRIHTGQKPFQCRIC MRNFSRSDHLTTHIRTHTGE KPFACDICGRKFARSDERKR HTKIHLRQKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0,P 1,E ... 89,K 90,D ; _Entity.Polymer_author_seq_details 'zinc finger domains, amino acids 333-421 from the egr1 sequence (uniprot ID: P08046)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'zif 268' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A1I . "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gcac Site)" . . . . . 98.89 90 97.75 98.88 5.77e-55 . . . . 17130 1 2 no PDB 1A1J . "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gcgt Site)" . . . . . 98.89 90 97.75 98.88 5.77e-55 . . . . 17130 1 3 no PDB 1A1K . "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gacc Site)" . . . . . 98.89 90 97.75 98.88 5.77e-55 . . . . 17130 1 4 no PDB 1A1L . "Zif268 Zinc Finger-Dna Complex (Gcac Site)" . . . . . 98.89 90 100.00 100.00 1.69e-56 . . . . 17130 1 5 no PDB 1AAY . "Zif268 Zinc Finger-Dna Complex" . . . . . 98.89 90 100.00 100.00 1.69e-56 . . . . 17130 1 6 no PDB 1JK1 . "Zif268 D20a Mutant Bound To Wt Dna Site" . . . . . 98.89 90 98.88 98.88 1.43e-55 . . . . 17130 1 7 no PDB 1JK2 . "Zif268 D20a Mutant Bound To The Gct Dna Site" . . . . . 98.89 90 98.88 98.88 1.43e-55 . . . . 17130 1 8 no PDB 1P47 . "Crystal Structure Of Tandem Zif268 Molecules Complexed To Dna" . . . . . 96.67 87 100.00 100.00 7.74e-55 . . . . 17130 1 9 no PDB 1ZAA . "Zinc Finger-Dna Recognition: Crystal Structure Of A Zif268- Dna Complex At 2.1 Angstroms" . . . . . 95.56 87 100.00 100.00 5.27e-54 . . . . 17130 1 10 no PDB 4R2A . "Egr1/zif268 Zinc Fingers In Complex With Methylated Dna" . . . . . 98.89 94 100.00 100.00 2.22e-56 . . . . 17130 1 11 no PDB 4R2C . "Egr1/zif268 Zinc Fingers In Complex With Hydroxymethylated Dna" . . . . . 98.89 94 100.00 100.00 2.22e-56 . . . . 17130 1 12 no PDB 4R2D . "Egr1/zif268 Zinc Fingers In Complex With Formylated Dna" . . . . . 98.89 94 100.00 100.00 2.22e-56 . . . . 17130 1 13 no PDB 4X9J . "Egr-1 With Doubly Methylated Dna" . . . . . 98.89 89 100.00 100.00 1.91e-56 . . . . 17130 1 14 no DBJ BAC29885 . "unnamed protein product [Mus musculus]" . . . . . 98.89 533 98.88 98.88 8.53e-55 . . . . 17130 1 15 no DBJ BAC30748 . "unnamed protein product [Mus musculus]" . . . . . 98.89 533 100.00 100.00 1.31e-55 . . . . 17130 1 16 no DBJ BAE21758 . "unnamed protein product [Mus musculus]" . . . . . 98.89 421 100.00 100.00 3.04e-58 . . . . 17130 1 17 no DBJ BAE26289 . "unnamed protein product [Mus musculus]" . . . . . 98.89 533 100.00 100.00 1.26e-55 . . . . 17130 1 18 no DBJ BAE27077 . "unnamed protein product [Mus musculus]" . . . . . 98.89 533 100.00 100.00 1.31e-55 . . . . 17130 1 19 no EMBL CAA36777 . "unnamed protein product [Homo sapiens]" . . . . . 98.89 543 100.00 100.00 7.00e-56 . . . . 17130 1 20 no EMBL CAB46678 . "early growth response protein 1 [Homo sapiens]" . . . . . 98.89 543 100.00 100.00 7.00e-56 . . . . 17130 1 21 no EMBL CAB60137 . "early growth response protein 1(Egr-1, NGFI-A) [Sus scrofa]" . . . . . 66.67 193 98.33 98.33 2.01e-33 . . . . 17130 1 22 no EMBL CAG31294 . "hypothetical protein RCJMB04_4l24 [Gallus gallus]" . . . . . 98.89 510 100.00 100.00 1.26e-57 . . . . 17130 1 23 no EMBL CDQ66955 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 96.67 490 97.70 100.00 1.01e-53 . . . . 17130 1 24 no GB AAA35815 . "ETR103 [Homo sapiens]" . . . . . 98.89 543 100.00 100.00 7.00e-56 . . . . 17130 1 25 no GB AAA37544 . "Egr-1 protein [Mus musculus]" . . . . . 98.89 533 100.00 100.00 1.31e-55 . . . . 17130 1 26 no GB AAA39382 . "Krox-24 protein, partial [Mus musculus]" . . . . . 98.89 484 100.00 100.00 6.15e-58 . . . . 17130 1 27 no GB AAA40416 . "growth factor-induced protein [Mus musculus]" . . . . . 98.89 533 100.00 100.00 1.31e-55 . . . . 17130 1 28 no GB AAA60740 . "nerve growth factor [Rattus norvegicus]" . . . . . 98.89 508 100.00 100.00 1.19e-55 . . . . 17130 1 29 no REF NP_001039340 . "early growth response protein 1 [Bos taurus]" . . . . . 98.89 540 97.75 97.75 5.24e-52 . . . . 17130 1 30 no REF NP_001074426 . "early growth response protein 1 [Taeniopygia guttata]" . . . . . 98.89 510 100.00 100.00 1.25e-57 . . . . 17130 1 31 no REF NP_001083862 . "early growth response protein 1-A [Xenopus laevis]" . . . . . 98.89 497 98.88 98.88 4.68e-57 . . . . 17130 1 32 no REF NP_001084566 . "early growth response protein 1-B [Xenopus laevis]" . . . . . 98.89 475 100.00 100.00 9.53e-58 . . . . 17130 1 33 no REF NP_001090830 . "early growth response protein 1 [Xenopus (Silurana) tropicalis]" . . . . . 98.89 499 100.00 100.00 7.93e-58 . . . . 17130 1 34 no SP A4II20 . "RecName: Full=Early growth response protein 1; Short=EGR-1" . . . . . 98.89 498 100.00 100.00 7.87e-58 . . . . 17130 1 35 no SP O73691 . "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" . . . . . 87.78 194 100.00 100.00 1.13e-50 . . . . 17130 1 36 no SP O73692 . "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" . . . . . 87.78 194 100.00 100.00 1.39e-50 . . . . 17130 1 37 no SP O73693 . "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" . . . . . 87.78 193 100.00 100.00 2.75e-50 . . . . 17130 1 38 no SP P08046 . "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Nerve growth factor-induced protein A; Short=NGFI-A; " . . . . . 98.89 533 100.00 100.00 1.31e-55 . . . . 17130 1 39 no TPG DAA27412 . "TPA: early growth response protein 1 [Bos taurus]" . . . . . 98.89 542 100.00 100.00 5.42e-56 . . . . 17130 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 PRO . 17130 1 2 1 GLU . 17130 1 3 2 ARG . 17130 1 4 3 PRO . 17130 1 5 4 TYR . 17130 1 6 5 ALA . 17130 1 7 6 CYS . 17130 1 8 7 PRO . 17130 1 9 8 VAL . 17130 1 10 9 GLU . 17130 1 11 10 SER . 17130 1 12 11 CYS . 17130 1 13 12 ASP . 17130 1 14 13 ARG . 17130 1 15 14 ARG . 17130 1 16 15 PHE . 17130 1 17 16 SER . 17130 1 18 17 ARG . 17130 1 19 18 SER . 17130 1 20 19 ASP . 17130 1 21 20 GLU . 17130 1 22 21 LEU . 17130 1 23 22 THR . 17130 1 24 23 ARG . 17130 1 25 24 HIS . 17130 1 26 25 ILE . 17130 1 27 26 ARG . 17130 1 28 27 ILE . 17130 1 29 28 HIS . 17130 1 30 29 THR . 17130 1 31 30 GLY . 17130 1 32 31 GLN . 17130 1 33 32 LYS . 17130 1 34 33 PRO . 17130 1 35 34 PHE . 17130 1 36 35 GLN . 17130 1 37 36 CYS . 17130 1 38 37 ARG . 17130 1 39 38 ILE . 17130 1 40 39 CYS . 17130 1 41 40 MET . 17130 1 42 41 ARG . 17130 1 43 42 ASN . 17130 1 44 43 PHE . 17130 1 45 44 SER . 17130 1 46 45 ARG . 17130 1 47 46 SER . 17130 1 48 47 ASP . 17130 1 49 48 HIS . 17130 1 50 49 LEU . 17130 1 51 50 THR . 17130 1 52 51 THR . 17130 1 53 52 HIS . 17130 1 54 53 ILE . 17130 1 55 54 ARG . 17130 1 56 55 THR . 17130 1 57 56 HIS . 17130 1 58 57 THR . 17130 1 59 58 GLY . 17130 1 60 59 GLU . 17130 1 61 60 LYS . 17130 1 62 61 PRO . 17130 1 63 62 PHE . 17130 1 64 63 ALA . 17130 1 65 64 CYS . 17130 1 66 65 ASP . 17130 1 67 66 ILE . 17130 1 68 67 CYS . 17130 1 69 68 GLY . 17130 1 70 69 ARG . 17130 1 71 70 LYS . 17130 1 72 71 PHE . 17130 1 73 72 ALA . 17130 1 74 73 ARG . 17130 1 75 74 SER . 17130 1 76 75 ASP . 17130 1 77 76 GLU . 17130 1 78 77 ARG . 17130 1 79 78 LYS . 17130 1 80 79 ARG . 17130 1 81 80 HIS . 17130 1 82 81 THR . 17130 1 83 82 LYS . 17130 1 84 83 ILE . 17130 1 85 84 HIS . 17130 1 86 85 LEU . 17130 1 87 86 ARG . 17130 1 88 87 GLN . 17130 1 89 88 LYS . 17130 1 90 89 ASP . 17130 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 17130 1 . GLU 2 2 17130 1 . ARG 3 3 17130 1 . PRO 4 4 17130 1 . TYR 5 5 17130 1 . ALA 6 6 17130 1 . CYS 7 7 17130 1 . PRO 8 8 17130 1 . VAL 9 9 17130 1 . GLU 10 10 17130 1 . SER 11 11 17130 1 . CYS 12 12 17130 1 . ASP 13 13 17130 1 . ARG 14 14 17130 1 . ARG 15 15 17130 1 . PHE 16 16 17130 1 . SER 17 17 17130 1 . ARG 18 18 17130 1 . SER 19 19 17130 1 . ASP 20 20 17130 1 . GLU 21 21 17130 1 . LEU 22 22 17130 1 . THR 23 23 17130 1 . ARG 24 24 17130 1 . HIS 25 25 17130 1 . ILE 26 26 17130 1 . ARG 27 27 17130 1 . ILE 28 28 17130 1 . HIS 29 29 17130 1 . THR 30 30 17130 1 . GLY 31 31 17130 1 . GLN 32 32 17130 1 . LYS 33 33 17130 1 . PRO 34 34 17130 1 . PHE 35 35 17130 1 . GLN 36 36 17130 1 . CYS 37 37 17130 1 . ARG 38 38 17130 1 . ILE 39 39 17130 1 . CYS 40 40 17130 1 . MET 41 41 17130 1 . ARG 42 42 17130 1 . ASN 43 43 17130 1 . PHE 44 44 17130 1 . SER 45 45 17130 1 . ARG 46 46 17130 1 . SER 47 47 17130 1 . ASP 48 48 17130 1 . HIS 49 49 17130 1 . LEU 50 50 17130 1 . THR 51 51 17130 1 . THR 52 52 17130 1 . HIS 53 53 17130 1 . ILE 54 54 17130 1 . ARG 55 55 17130 1 . THR 56 56 17130 1 . HIS 57 57 17130 1 . THR 58 58 17130 1 . GLY 59 59 17130 1 . GLU 60 60 17130 1 . LYS 61 61 17130 1 . PRO 62 62 17130 1 . PHE 63 63 17130 1 . ALA 64 64 17130 1 . CYS 65 65 17130 1 . ASP 66 66 17130 1 . ILE 67 67 17130 1 . CYS 68 68 17130 1 . GLY 69 69 17130 1 . ARG 70 70 17130 1 . LYS 71 71 17130 1 . PHE 72 72 17130 1 . ALA 73 73 17130 1 . ARG 74 74 17130 1 . SER 75 75 17130 1 . ASP 76 76 17130 1 . GLU 77 77 17130 1 . ARG 78 78 17130 1 . LYS 79 79 17130 1 . ARG 80 80 17130 1 . HIS 81 81 17130 1 . THR 82 82 17130 1 . LYS 83 83 17130 1 . ILE 84 84 17130 1 . HIS 85 85 17130 1 . LEU 86 86 17130 1 . ARG 87 87 17130 1 . GLN 88 88 17130 1 . LYS 89 89 17130 1 . ASP 90 90 17130 1 stop_ save_ save_12bp_DNA _Entity.Sf_category entity _Entity.Sf_framecode 12bp_DNA _Entity.Entry_ID 17130 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 12bp_DNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGCGTGGGCGTATACGCCCA CGCA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'double stranded DNA duplex' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DA . 17130 2 2 . DG . 17130 2 3 . DC . 17130 2 4 . DG . 17130 2 5 . DT . 17130 2 6 . DG . 17130 2 7 . DG . 17130 2 8 . DG . 17130 2 9 . DC . 17130 2 10 . DG . 17130 2 11 . DT . 17130 2 12 . DA . 17130 2 13 . DT . 17130 2 14 . DA . 17130 2 15 . DC . 17130 2 16 . DG . 17130 2 17 . DC . 17130 2 18 . DC . 17130 2 19 . DC . 17130 2 20 . DA . 17130 2 21 . DC . 17130 2 22 . DG . 17130 2 23 . DC . 17130 2 24 . DA . 17130 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DA 1 1 17130 2 . DG 2 2 17130 2 . DC 3 3 17130 2 . DG 4 4 17130 2 . DT 5 5 17130 2 . DG 6 6 17130 2 . DG 7 7 17130 2 . DG 8 8 17130 2 . DC 9 9 17130 2 . DG 10 10 17130 2 . DT 11 11 17130 2 . DA 12 12 17130 2 . DT 13 13 17130 2 . DA 14 14 17130 2 . DC 15 15 17130 2 . DG 16 16 17130 2 . DC 17 17 17130 2 . DC 18 18 17130 2 . DC 19 19 17130 2 . DA 20 20 17130 2 . DC 21 21 17130 2 . DG 22 22 17130 2 . DC 23 23 17130 2 . DA 24 24 17130 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17130 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17130 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17130 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $zif268 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17130 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17130 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $zif268 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET49b+zif268 . . . . . . 17130 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 17130 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17130 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17130 ZN [Zn++] SMILES CACTVS 3.341 17130 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17130 ZN [Zn+2] SMILES ACDLabs 10.04 17130 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17130 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17130 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 17130 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17130 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17130 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17130 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17130 1 2 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 17130 1 3 zif268 '[U-13C; U-15N]' . . 1 $zif268 . . 1 . . mM . . . . 17130 1 4 '12bp DNA' 'natural abundance' . . 2 $12bp_DNA . . 1.2 . . mM . . . . 17130 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17130 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17130 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17130 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17130 1 pH 6.8 . pH 17130 1 pressure 1 . atm 17130 1 temperature 273 . K 17130 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17130 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17130 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17130 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17130 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17130 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17130 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17130 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17130 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17130 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17130 1 2 spectrometer_2 Varian 'Uniform NMR System' . 800 . . . 17130 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17130 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17130 1 7 '3D H(CACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17130 1 8 '15N Edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17130 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17130 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.677 na indirect 0.251449530 . . . . . . . . . 17130 1 H 1 water protons . . . . ppm 4.677 internal direct 1.000000000 . . . . . . . . . 17130 1 N 15 water protons . . . . ppm 4.677 na indirect 0.101329118 . . . . . . . . . 17130 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17130 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACO' . . . 17130 1 2 '3D HNCO' . . . 17130 1 3 '3D HNCA' . . . 17130 1 4 '3D HN(CO)CA' . . . 17130 1 5 '3D CBCA(CO)NH' . . . 17130 1 6 '3D C(CO)NH' . . . 17130 1 7 '3D H(CACO)NH' . . . 17130 1 8 '15N Edited NOESY-HSQC' . . . 17130 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO C C 13 176.81 0.05 . 1 . . . . 0 PRO C . 17130 1 2 . 1 1 1 1 PRO CA C 13 63.5 0.1 . 1 . . . . 0 PRO CA . 17130 1 3 . 1 1 2 2 GLU H H 1 8.539 0.004 . 1 . . . . 1 GLU H . 17130 1 4 . 1 1 2 2 GLU C C 13 176.38 0.05 . 1 . . . . 1 GLU C . 17130 1 5 . 1 1 2 2 GLU CA C 13 56.8 0.1 . 1 . . . . 1 GLU CA . 17130 1 6 . 1 1 2 2 GLU N N 15 120.62 0.01 . 1 . . . . 1 GLU N . 17130 1 7 . 1 1 3 3 ARG H H 1 8.492 0.004 . 1 . . . . 2 ARG H . 17130 1 8 . 1 1 3 3 ARG C C 13 174.23 0.05 . 1 . . . . 2 ARG C . 17130 1 9 . 1 1 3 3 ARG CA C 13 53.9 0.1 . 1 . . . . 2 ARG CA . 17130 1 10 . 1 1 3 3 ARG N N 15 122.06 0.01 . 1 . . . . 2 ARG N . 17130 1 11 . 1 1 4 4 PRO C C 13 176.81 0.05 . 1 . . . . 3 PRO C . 17130 1 12 . 1 1 4 4 PRO CA C 13 63.8 0.1 . 1 . . . . 3 PRO CA . 17130 1 13 . 1 1 5 5 TYR H H 1 7.804 0.004 . 1 . . . . 4 TYR H . 17130 1 14 . 1 1 5 5 TYR C C 13 174.43 0.05 . 1 . . . . 4 TYR C . 17130 1 15 . 1 1 5 5 TYR CA C 13 58.0 0.1 . 1 . . . . 4 TYR CA . 17130 1 16 . 1 1 5 5 TYR N N 15 117.13 0.01 . 1 . . . . 4 TYR N . 17130 1 17 . 1 1 6 6 ALA H H 1 8.483 0.004 . 1 . . . . 5 ALA H . 17130 1 18 . 1 1 6 6 ALA C C 13 175.91 0.05 . 1 . . . . 5 ALA C . 17130 1 19 . 1 1 6 6 ALA CA C 13 51.0 0.1 . 1 . . . . 5 ALA CA . 17130 1 20 . 1 1 6 6 ALA N N 15 127.86 0.01 . 1 . . . . 5 ALA N . 17130 1 21 . 1 1 7 7 CYS H H 1 8.389 0.004 . 1 . . . . 6 CYS H . 17130 1 22 . 1 1 7 7 CYS C C 13 175.89 0.05 . 1 . . . . 6 CYS C . 17130 1 23 . 1 1 7 7 CYS CA C 13 58.3 0.1 . 1 . . . . 6 CYS CA . 17130 1 24 . 1 1 7 7 CYS N N 15 125.72 0.01 . 1 . . . . 6 CYS N . 17130 1 25 . 1 1 8 8 PRO C C 13 177.10 0.05 . 1 . . . . 7 PRO C . 17130 1 26 . 1 1 8 8 PRO CA C 13 63.6 0.1 . 1 . . . . 7 PRO CA . 17130 1 27 . 1 1 9 9 VAL H H 1 8.582 0.004 . 1 . . . . 8 VAL H . 17130 1 28 . 1 1 9 9 VAL C C 13 177.06 0.05 . 1 . . . . 8 VAL C . 17130 1 29 . 1 1 9 9 VAL CA C 13 64.6 0.1 . 1 . . . . 8 VAL CA . 17130 1 30 . 1 1 9 9 VAL N N 15 126.81 0.01 . 1 . . . . 8 VAL N . 17130 1 31 . 1 1 10 10 GLU H H 1 8.768 0.004 . 1 . . . . 9 GLU H . 17130 1 32 . 1 1 10 10 GLU C C 13 177.06 0.05 . 1 . . . . 9 GLU C . 17130 1 33 . 1 1 10 10 GLU CA C 13 59.4 0.1 . 1 . . . . 9 GLU CA . 17130 1 34 . 1 1 10 10 GLU N N 15 129.42 0.01 . 1 . . . . 9 GLU N . 17130 1 35 . 1 1 11 11 SER H H 1 8.005 0.004 . 1 . . . . 10 SER H . 17130 1 36 . 1 1 11 11 SER C C 13 172.82 0.05 . 1 . . . . 10 SER C . 17130 1 37 . 1 1 11 11 SER CA C 13 59.2 0.1 . 1 . . . . 10 SER CA . 17130 1 38 . 1 1 11 11 SER N N 15 112.50 0.01 . 1 . . . . 10 SER N . 17130 1 39 . 1 1 12 12 CYS H H 1 7.987 0.004 . 1 . . . . 11 CYS H . 17130 1 40 . 1 1 12 12 CYS C C 13 174.83 0.05 . 1 . . . . 11 CYS C . 17130 1 41 . 1 1 12 12 CYS CA C 13 59.9 0.1 . 1 . . . . 11 CYS CA . 17130 1 42 . 1 1 12 12 CYS N N 15 125.93 0.01 . 1 . . . . 11 CYS N . 17130 1 43 . 1 1 13 13 ASP H H 1 8.420 0.004 . 1 . . . . 12 ASP H . 17130 1 44 . 1 1 13 13 ASP C C 13 176.76 0.05 . 1 . . . . 12 ASP C . 17130 1 45 . 1 1 13 13 ASP CA C 13 53.9 0.1 . 1 . . . . 12 ASP CA . 17130 1 46 . 1 1 13 13 ASP N N 15 124.03 0.01 . 1 . . . . 12 ASP N . 17130 1 47 . 1 1 14 14 ARG H H 1 8.307 0.004 . 1 . . . . 13 ARG H . 17130 1 48 . 1 1 14 14 ARG C C 13 175.57 0.05 . 1 . . . . 13 ARG C . 17130 1 49 . 1 1 14 14 ARG CA C 13 57.4 0.1 . 1 . . . . 13 ARG CA . 17130 1 50 . 1 1 14 14 ARG N N 15 121.19 0.01 . 1 . . . . 13 ARG N . 17130 1 51 . 1 1 15 15 ARG H H 1 7.752 0.004 . 1 . . . . 14 ARG H . 17130 1 52 . 1 1 15 15 ARG C C 13 175.24 0.05 . 1 . . . . 14 ARG C . 17130 1 53 . 1 1 15 15 ARG CA C 13 54.3 0.1 . 1 . . . . 14 ARG CA . 17130 1 54 . 1 1 15 15 ARG N N 15 118.44 0.01 . 1 . . . . 14 ARG N . 17130 1 55 . 1 1 16 16 PHE H H 1 8.972 0.004 . 1 . . . . 15 PHE H . 17130 1 56 . 1 1 16 16 PHE C C 13 175.68 0.05 . 1 . . . . 15 PHE C . 17130 1 57 . 1 1 16 16 PHE CA C 13 57.5 0.1 . 1 . . . . 15 PHE CA . 17130 1 58 . 1 1 16 16 PHE N N 15 118.29 0.01 . 1 . . . . 15 PHE N . 17130 1 59 . 1 1 17 17 SER H H 1 8.901 0.004 . 1 . . . . 16 SER H . 17130 1 60 . 1 1 17 17 SER C C 13 174.28 0.05 . 1 . . . . 16 SER C . 17130 1 61 . 1 1 17 17 SER CA C 13 62.1 0.1 . 1 . . . . 16 SER CA . 17130 1 62 . 1 1 17 17 SER N N 15 118.12 0.01 . 1 . . . . 16 SER N . 17130 1 63 . 1 1 18 18 ARG H H 1 8.406 0.004 . 1 . . . . 17 ARG H . 17130 1 64 . 1 1 18 18 ARG C C 13 177.28 0.05 . 1 . . . . 17 ARG C . 17130 1 65 . 1 1 18 18 ARG CA C 13 54.5 0.1 . 1 . . . . 17 ARG CA . 17130 1 66 . 1 1 18 18 ARG N N 15 117.64 0.01 . 1 . . . . 17 ARG N . 17130 1 67 . 1 1 19 19 SER H H 1 8.496 0.004 . 1 . . . . 18 SER H . 17130 1 68 . 1 1 19 19 SER C C 13 176.72 0.05 . 1 . . . . 18 SER C . 17130 1 69 . 1 1 19 19 SER CA C 13 61.0 0.1 . 1 . . . . 18 SER CA . 17130 1 70 . 1 1 19 19 SER N N 15 118.36 0.01 . 1 . . . . 18 SER N . 17130 1 71 . 1 1 20 20 ASP H H 1 8.572 0.004 . 1 . . . . 19 ASP H . 17130 1 72 . 1 1 20 20 ASP C C 13 178.67 0.05 . 1 . . . . 19 ASP C . 17130 1 73 . 1 1 20 20 ASP CA C 13 56.6 0.1 . 1 . . . . 19 ASP CA . 17130 1 74 . 1 1 20 20 ASP N N 15 118.78 0.01 . 1 . . . . 19 ASP N . 17130 1 75 . 1 1 21 21 GLU H H 1 6.830 0.004 . 1 . . . . 20 GLU H . 17130 1 76 . 1 1 21 21 GLU C C 13 179.09 0.05 . 1 . . . . 20 GLU C . 17130 1 77 . 1 1 21 21 GLU CA C 13 58.4 0.1 . 1 . . . . 20 GLU CA . 17130 1 78 . 1 1 21 21 GLU N N 15 120.62 0.01 . 1 . . . . 20 GLU N . 17130 1 79 . 1 1 22 22 LEU H H 1 6.877 0.004 . 1 . . . . 21 LEU H . 17130 1 80 . 1 1 22 22 LEU C C 13 177.30 0.05 . 1 . . . . 21 LEU C . 17130 1 81 . 1 1 22 22 LEU CA C 13 58.0 0.1 . 1 . . . . 21 LEU CA . 17130 1 82 . 1 1 22 22 LEU N N 15 121.15 0.01 . 1 . . . . 21 LEU N . 17130 1 83 . 1 1 23 23 THR H H 1 8.232 0.004 . 1 . . . . 22 THR H . 17130 1 84 . 1 1 23 23 THR C C 13 175.95 0.05 . 1 . . . . 22 THR C . 17130 1 85 . 1 1 23 23 THR CA C 13 67.0 0.1 . 1 . . . . 22 THR CA . 17130 1 86 . 1 1 23 23 THR N N 15 115.85 0.01 . 1 . . . . 22 THR N . 17130 1 87 . 1 1 24 24 ARG H H 1 7.419 0.004 . 1 . . . . 23 ARG H . 17130 1 88 . 1 1 24 24 ARG C C 13 177.86 0.05 . 1 . . . . 23 ARG C . 17130 1 89 . 1 1 24 24 ARG CA C 13 59.9 0.1 . 1 . . . . 23 ARG CA . 17130 1 90 . 1 1 24 24 ARG N N 15 119.72 0.01 . 1 . . . . 23 ARG N . 17130 1 91 . 1 1 25 25 HIS H H 1 7.593 0.004 . 1 . . . . 24 HIS H . 17130 1 92 . 1 1 25 25 HIS C C 13 59.77 0.05 . 1 . . . . 24 HIS C . 17130 1 93 . 1 1 25 25 HIS CA C 13 176.9 0.1 . 1 . . . . 24 HIS CA . 17130 1 94 . 1 1 25 25 HIS N N 15 118.80 0.01 . 1 . . . . 24 HIS N . 17130 1 95 . 1 1 26 26 ILE H H 1 8.617 0.004 . 1 . . . . 25 ILE H . 17130 1 96 . 1 1 26 26 ILE C C 13 177.19 0.05 . 1 . . . . 25 ILE C . 17130 1 97 . 1 1 26 26 ILE CA C 13 65.8 0.1 . 1 . . . . 25 ILE CA . 17130 1 98 . 1 1 26 26 ILE N N 15 117.55 0.01 . 1 . . . . 25 ILE N . 17130 1 99 . 1 1 27 27 ARG H H 1 7.151 0.004 . 1 . . . . 26 ARG H . 17130 1 100 . 1 1 27 27 ARG C C 13 179.54 0.05 . 1 . . . . 26 ARG C . 17130 1 101 . 1 1 27 27 ARG CA C 13 59.6 0.1 . 1 . . . . 26 ARG CA . 17130 1 102 . 1 1 27 27 ARG N N 15 117.28 0.01 . 1 . . . . 26 ARG N . 17130 1 103 . 1 1 28 28 ILE H H 1 8.363 0.004 . 1 . . . . 27 ILE H . 17130 1 104 . 1 1 28 28 ILE C C 13 178.27 0.05 . 1 . . . . 27 ILE C . 17130 1 105 . 1 1 28 28 ILE CA C 13 64.7 0.1 . 1 . . . . 27 ILE CA . 17130 1 106 . 1 1 28 28 ILE N N 15 119.62 0.01 . 1 . . . . 27 ILE N . 17130 1 107 . 1 1 29 29 HIS H H 1 7.418 0.004 . 1 . . . . 28 HIS H . 17130 1 108 . 1 1 29 29 HIS C C 13 177.39 0.05 . 1 . . . . 28 HIS C . 17130 1 109 . 1 1 29 29 HIS CA C 13 56.6 0.1 . 1 . . . . 28 HIS CA . 17130 1 110 . 1 1 29 29 HIS N N 15 117.12 0.01 . 1 . . . . 28 HIS N . 17130 1 111 . 1 1 30 30 THR H H 1 8.176 0.004 . 1 . . . . 29 THR H . 17130 1 112 . 1 1 30 30 THR C C 13 177.03 0.05 . 1 . . . . 29 THR C . 17130 1 113 . 1 1 30 30 THR CA C 13 62.3 0.1 . 1 . . . . 29 THR CA . 17130 1 114 . 1 1 30 30 THR N N 15 107.59 0.01 . 1 . . . . 29 THR N . 17130 1 115 . 1 1 31 31 GLY H H 1 8.063 0.004 . 1 . . . . 30 GLY H . 17130 1 116 . 1 1 31 31 GLY C C 13 174.25 0.05 . 1 . . . . 30 GLY C . 17130 1 117 . 1 1 31 31 GLY CA C 13 46.0 0.1 . 1 . . . . 30 GLY CA . 17130 1 118 . 1 1 31 31 GLY N N 15 110.45 0.01 . 1 . . . . 30 GLY N . 17130 1 119 . 1 1 32 32 GLN H H 1 7.487 0.004 . 1 . . . . 31 GLN H . 17130 1 120 . 1 1 32 32 GLN C C 13 175.98 0.05 . 1 . . . . 31 GLN C . 17130 1 121 . 1 1 32 32 GLN CA C 13 57.3 0.1 . 1 . . . . 31 GLN CA . 17130 1 122 . 1 1 32 32 GLN N N 15 119.55 0.01 . 1 . . . . 31 GLN N . 17130 1 123 . 1 1 33 33 LYS H H 1 8.405 0.004 . 1 . . . . 32 LYS H . 17130 1 124 . 1 1 33 33 LYS C C 13 173.85 0.05 . 1 . . . . 32 LYS C . 17130 1 125 . 1 1 33 33 LYS CA C 13 54.1 0.1 . 1 . . . . 32 LYS CA . 17130 1 126 . 1 1 33 33 LYS N N 15 125.25 0.01 . 1 . . . . 32 LYS N . 17130 1 127 . 1 1 34 34 PRO C C 13 175.93 0.05 . 1 . . . . 33 PRO C . 17130 1 128 . 1 1 34 34 PRO CA C 13 63.8 0.1 . 1 . . . . 33 PRO CA . 17130 1 129 . 1 1 35 35 PHE H H 1 7.793 0.004 . 1 . . . . 34 PHE H . 17130 1 130 . 1 1 35 35 PHE C C 13 174.27 0.05 . 1 . . . . 34 PHE C . 17130 1 131 . 1 1 35 35 PHE CA C 13 57.4 0.1 . 1 . . . . 34 PHE CA . 17130 1 132 . 1 1 35 35 PHE N N 15 117.24 0.01 . 1 . . . . 34 PHE N . 17130 1 133 . 1 1 36 36 GLN H H 1 8.942 0.004 . 1 . . . . 35 GLN H . 17130 1 134 . 1 1 36 36 GLN C C 13 174.77 0.05 . 1 . . . . 35 GLN C . 17130 1 135 . 1 1 36 36 GLN CA C 13 55.3 0.1 . 1 . . . . 35 GLN CA . 17130 1 136 . 1 1 36 36 GLN N N 15 125.44 0.01 . 1 . . . . 35 GLN N . 17130 1 137 . 1 1 37 37 CYS H H 1 9.239 0.004 . 1 . . . . 36 CYS H . 17130 1 138 . 1 1 37 37 CYS C C 13 176.92 0.05 . 1 . . . . 36 CYS C . 17130 1 139 . 1 1 37 37 CYS CA C 13 59.9 0.1 . 1 . . . . 36 CYS CA . 17130 1 140 . 1 1 37 37 CYS N N 15 128.92 0.01 . 1 . . . . 36 CYS N . 17130 1 141 . 1 1 38 38 ARG H H 1 9.033 0.004 . 1 . . . . 37 ARG H . 17130 1 142 . 1 1 38 38 ARG C C 13 175.71 0.05 . 1 . . . . 37 ARG C . 17130 1 143 . 1 1 38 38 ARG CA C 13 57.7 0.1 . 1 . . . . 37 ARG CA . 17130 1 144 . 1 1 38 38 ARG N N 15 130.08 0.01 . 1 . . . . 37 ARG N . 17130 1 145 . 1 1 39 39 ILE H H 1 8.883 0.004 . 1 . . . . 38 ILE H . 17130 1 146 . 1 1 39 39 ILE C C 13 176.72 0.05 . 1 . . . . 38 ILE C . 17130 1 147 . 1 1 39 39 ILE CA C 13 63.9 0.1 . 1 . . . . 38 ILE CA . 17130 1 148 . 1 1 39 39 ILE N N 15 122.02 0.01 . 1 . . . . 38 ILE N . 17130 1 149 . 1 1 40 40 CYS H H 1 8.425 0.004 . 1 . . . . 39 CYS H . 17130 1 150 . 1 1 40 40 CYS C C 13 175.80 0.05 . 1 . . . . 39 CYS C . 17130 1 151 . 1 1 40 40 CYS CA C 13 58.5 0.1 . 1 . . . . 39 CYS CA . 17130 1 152 . 1 1 40 40 CYS N N 15 117.70 0.01 . 1 . . . . 39 CYS N . 17130 1 153 . 1 1 41 41 MET H H 1 8.054 0.004 . 1 . . . . 40 MET H . 17130 1 154 . 1 1 41 41 MET C C 13 175.13 0.05 . 1 . . . . 40 MET C . 17130 1 155 . 1 1 41 41 MET CA C 13 57.6 0.1 . 1 . . . . 40 MET CA . 17130 1 156 . 1 1 41 41 MET N N 15 117.50 0.01 . 1 . . . . 40 MET N . 17130 1 157 . 1 1 42 42 ARG H H 1 8.198 0.004 . 1 . . . . 41 ARG H . 17130 1 158 . 1 1 42 42 ARG C C 13 173.91 0.05 . 1 . . . . 41 ARG C . 17130 1 159 . 1 1 42 42 ARG CA C 13 57.9 0.1 . 1 . . . . 41 ARG CA . 17130 1 160 . 1 1 42 42 ARG N N 15 122.79 0.01 . 1 . . . . 41 ARG N . 17130 1 161 . 1 1 43 43 ASN H H 1 8.004 0.004 . 1 . . . . 42 ASN H . 17130 1 162 . 1 1 43 43 ASN C C 13 174.01 0.05 . 1 . . . . 42 ASN C . 17130 1 163 . 1 1 43 43 ASN CA C 13 52.7 0.1 . 1 . . . . 42 ASN CA . 17130 1 164 . 1 1 43 43 ASN N N 15 121.37 0.01 . 1 . . . . 42 ASN N . 17130 1 165 . 1 1 44 44 PHE H H 1 9.291 0.004 . 1 . . . . 43 PHE H . 17130 1 166 . 1 1 44 44 PHE C C 13 175.75 0.05 . 1 . . . . 43 PHE C . 17130 1 167 . 1 1 44 44 PHE CA C 13 57.8 0.1 . 1 . . . . 43 PHE CA . 17130 1 168 . 1 1 44 44 PHE N N 15 118.01 0.01 . 1 . . . . 43 PHE N . 17130 1 169 . 1 1 45 45 SER H H 1 9.745 0.004 . 1 . . . . 44 SER H . 17130 1 170 . 1 1 45 45 SER C C 13 174.81 0.05 . 1 . . . . 44 SER C . 17130 1 171 . 1 1 45 45 SER CA C 13 60.5 0.1 . 1 . . . . 44 SER CA . 17130 1 172 . 1 1 45 45 SER N N 15 117.03 0.01 . 1 . . . . 44 SER N . 17130 1 173 . 1 1 46 46 ARG H H 1 7.743 0.004 . 1 . . . . 45 ARG H . 17130 1 174 . 1 1 46 46 ARG C C 13 176.16 0.05 . 1 . . . . 45 ARG C . 17130 1 175 . 1 1 46 46 ARG CA C 13 55.2 0.1 . 1 . . . . 45 ARG CA . 17130 1 176 . 1 1 46 46 ARG N N 15 119.31 0.01 . 1 . . . . 45 ARG N . 17130 1 177 . 1 1 47 47 SER H H 1 8.662 0.004 . 1 . . . . 46 SER H . 17130 1 178 . 1 1 47 47 SER C C 13 176.63 0.05 . 1 . . . . 46 SER C . 17130 1 179 . 1 1 47 47 SER CA C 13 63.2 0.1 . 1 . . . . 46 SER CA . 17130 1 180 . 1 1 47 47 SER N N 15 121.46 0.01 . 1 . . . . 46 SER N . 17130 1 181 . 1 1 48 48 ASP H H 1 8.664 0.004 . 1 . . . . 47 ASP H . 17130 1 182 . 1 1 48 48 ASP C C 13 176.13 0.05 . 1 . . . . 47 ASP C . 17130 1 183 . 1 1 48 48 ASP CA C 13 56.9 0.1 . 1 . . . . 47 ASP CA . 17130 1 184 . 1 1 48 48 ASP N N 15 121.47 0.01 . 1 . . . . 47 ASP N . 17130 1 185 . 1 1 49 49 HIS H H 1 8.010 0.004 . 1 . . . . 48 HIS H . 17130 1 186 . 1 1 49 49 HIS N N 15 118.29 0.01 . 1 . . . . 48 HIS N . 17130 1 187 . 1 1 50 50 LEU C C 13 177.41 0.05 . 1 . . . . 49 LEU C . 17130 1 188 . 1 1 50 50 LEU CA C 13 58.4 0.1 . 1 . . . . 49 LEU CA . 17130 1 189 . 1 1 51 51 THR H H 1 8.116 0.004 . 1 . . . . 50 THR H . 17130 1 190 . 1 1 51 51 THR CA C 13 67.7 0.1 . 1 . . . . 50 THR CA . 17130 1 191 . 1 1 51 51 THR N N 15 116.25 0.01 . 1 . . . . 50 THR N . 17130 1 192 . 1 1 53 53 HIS C C 13 179.25 0.05 . 1 . . . . 52 HIS C . 17130 1 193 . 1 1 53 53 HIS CA C 13 60.2 0.1 . 1 . . . . 52 HIS CA . 17130 1 194 . 1 1 54 54 ILE H H 1 8.870 0.004 . 1 . . . . 53 ILE H . 17130 1 195 . 1 1 54 54 ILE C C 13 178.06 0.05 . 1 . . . . 53 ILE C . 17130 1 196 . 1 1 54 54 ILE CA C 13 66.6 0.1 . 1 . . . . 53 ILE CA . 17130 1 197 . 1 1 54 54 ILE N N 15 123.45 0.01 . 1 . . . . 53 ILE N . 17130 1 198 . 1 1 55 55 ARG H H 1 7.286 0.004 . 1 . . . . 54 ARG H . 17130 1 199 . 1 1 55 55 ARG C C 13 179.72 0.05 . 1 . . . . 54 ARG C . 17130 1 200 . 1 1 55 55 ARG CA C 13 59.4 0.1 . 1 . . . . 54 ARG CA . 17130 1 201 . 1 1 55 55 ARG N N 15 117.33 0.01 . 1 . . . . 54 ARG N . 17130 1 202 . 1 1 56 56 THR H H 1 8.099 0.004 . 1 . . . . 55 THR H . 17130 1 203 . 1 1 56 56 THR C C 13 176.25 0.05 . 1 . . . . 55 THR C . 17130 1 204 . 1 1 56 56 THR CA C 13 64.9 0.1 . 1 . . . . 55 THR CA . 17130 1 205 . 1 1 56 56 THR N N 15 112.59 0.01 . 1 . . . . 55 THR N . 17130 1 206 . 1 1 57 57 HIS H H 1 7.592 0.004 . 1 . . . . 56 HIS H . 17130 1 207 . 1 1 57 57 HIS C C 13 177.48 0.05 . 1 . . . . 56 HIS C . 17130 1 208 . 1 1 57 57 HIS CA C 13 56.2 0.1 . 1 . . . . 56 HIS CA . 17130 1 209 . 1 1 57 57 HIS N N 15 118.02 0.01 . 1 . . . . 56 HIS N . 17130 1 210 . 1 1 58 58 THR H H 1 8.040 0.004 . 1 . . . . 57 THR H . 17130 1 211 . 1 1 58 58 THR C C 13 176.99 0.05 . 1 . . . . 57 THR C . 17130 1 212 . 1 1 58 58 THR CA C 13 62.7 0.1 . 1 . . . . 57 THR CA . 17130 1 213 . 1 1 58 58 THR N N 15 107.69 0.01 . 1 . . . . 57 THR N . 17130 1 214 . 1 1 59 59 GLY H H 1 8.076 0.004 . 1 . . . . 58 GLY H . 17130 1 215 . 1 1 59 59 GLY C C 13 173.98 0.05 . 1 . . . . 58 GLY C . 17130 1 216 . 1 1 59 59 GLY CA C 13 45.9 0.1 . 1 . . . . 58 GLY CA . 17130 1 217 . 1 1 59 59 GLY N N 15 109.81 0.01 . 1 . . . . 58 GLY N . 17130 1 218 . 1 1 60 60 GLU H H 1 7.470 0.004 . 1 . . . . 59 GLU H . 17130 1 219 . 1 1 60 60 GLU C C 13 176.05 0.05 . 1 . . . . 59 GLU C . 17130 1 220 . 1 1 60 60 GLU CA C 13 57.6 0.1 . 1 . . . . 59 GLU CA . 17130 1 221 . 1 1 60 60 GLU N N 15 121.55 0.01 . 1 . . . . 59 GLU N . 17130 1 222 . 1 1 61 61 LYS H H 1 8.336 0.004 . 1 . . . . 60 LYS H . 17130 1 223 . 1 1 61 61 LYS C C 13 173.65 0.05 . 1 . . . . 60 LYS C . 17130 1 224 . 1 1 61 61 LYS CA C 13 54.0 0.1 . 1 . . . . 60 LYS CA . 17130 1 225 . 1 1 61 61 LYS N N 15 126.05 0.01 . 1 . . . . 60 LYS N . 17130 1 226 . 1 1 62 62 PRO C C 13 176.61 0.05 . 1 . . . . 61 PRO C . 17130 1 227 . 1 1 62 62 PRO CA C 13 63.2 0.1 . 1 . . . . 61 PRO CA . 17130 1 228 . 1 1 63 63 PHE H H 1 7.737 0.004 . 1 . . . . 62 PHE H . 17130 1 229 . 1 1 63 63 PHE C C 13 174.34 0.05 . 1 . . . . 62 PHE C . 17130 1 230 . 1 1 63 63 PHE CA C 13 57.4 0.1 . 1 . . . . 62 PHE CA . 17130 1 231 . 1 1 63 63 PHE N N 15 115.19 0.01 . 1 . . . . 62 PHE N . 17130 1 232 . 1 1 64 64 ALA H H 1 9.057 0.004 . 1 . . . . 63 ALA H . 17130 1 233 . 1 1 64 64 ALA C C 13 177.77 0.05 . 1 . . . . 63 ALA C . 17130 1 234 . 1 1 64 64 ALA CA C 13 50.7 0.1 . 1 . . . . 63 ALA CA . 17130 1 235 . 1 1 64 64 ALA N N 15 126.58 0.01 . 1 . . . . 63 ALA N . 17130 1 236 . 1 1 65 65 CYS H H 1 9.395 0.004 . 1 . . . . 64 CYS H . 17130 1 237 . 1 1 65 65 CYS C C 13 176.96 0.05 . 1 . . . . 64 CYS C . 17130 1 238 . 1 1 65 65 CYS CA C 13 59.6 0.1 . 1 . . . . 64 CYS CA . 17130 1 239 . 1 1 65 65 CYS N N 15 125.22 0.01 . 1 . . . . 64 CYS N . 17130 1 240 . 1 1 66 66 ASP H H 1 9.390 0.004 . 1 . . . . 65 ASP H . 17130 1 241 . 1 1 66 66 ASP C C 13 175.78 0.05 . 1 . . . . 65 ASP C . 17130 1 242 . 1 1 66 66 ASP CA C 13 56.5 0.1 . 1 . . . . 65 ASP CA . 17130 1 243 . 1 1 66 66 ASP N N 15 131.51 0.01 . 1 . . . . 65 ASP N . 17130 1 244 . 1 1 67 67 ILE H H 1 8.799 0.004 . 1 . . . . 66 ILE H . 17130 1 245 . 1 1 67 67 ILE C C 13 176.97 0.05 . 1 . . . . 66 ILE C . 17130 1 246 . 1 1 67 67 ILE CA C 13 63.3 0.1 . 1 . . . . 66 ILE CA . 17130 1 247 . 1 1 67 67 ILE N N 15 121.64 0.01 . 1 . . . . 66 ILE N . 17130 1 248 . 1 1 68 68 CYS H H 1 8.207 0.004 . 1 . . . . 67 CYS H . 17130 1 249 . 1 1 68 68 CYS C C 13 176.40 0.05 . 1 . . . . 67 CYS C . 17130 1 250 . 1 1 68 68 CYS CA C 13 58.3 0.1 . 1 . . . . 67 CYS CA . 17130 1 251 . 1 1 68 68 CYS N N 15 116.32 0.01 . 1 . . . . 67 CYS N . 17130 1 252 . 1 1 69 69 GLY H H 1 7.905 0.004 . 1 . . . . 68 GLY H . 17130 1 253 . 1 1 69 69 GLY C C 13 173.89 0.05 . 1 . . . . 68 GLY C . 17130 1 254 . 1 1 69 69 GLY CA C 13 46.3 0.1 . 1 . . . . 68 GLY CA . 17130 1 255 . 1 1 69 69 GLY N N 15 112.77 0.01 . 1 . . . . 68 GLY N . 17130 1 256 . 1 1 70 70 ARG H H 1 8.112 0.004 . 1 . . . . 69 ARG H . 17130 1 257 . 1 1 70 70 ARG C C 13 174.14 0.05 . 1 . . . . 69 ARG C . 17130 1 258 . 1 1 70 70 ARG CA C 13 57.9 0.1 . 1 . . . . 69 ARG CA . 17130 1 259 . 1 1 70 70 ARG N N 15 123.29 0.01 . 1 . . . . 69 ARG N . 17130 1 260 . 1 1 71 71 LYS H H 1 7.755 0.004 . 1 . . . . 70 LYS H . 17130 1 261 . 1 1 71 71 LYS C C 13 175.44 0.05 . 1 . . . . 70 LYS C . 17130 1 262 . 1 1 71 71 LYS CA C 13 55.1 0.1 . 1 . . . . 70 LYS CA . 17130 1 263 . 1 1 71 71 LYS N N 15 120.90 0.01 . 1 . . . . 70 LYS N . 17130 1 264 . 1 1 72 72 PHE H H 1 8.649 0.004 . 1 . . . . 71 PHE H . 17130 1 265 . 1 1 72 72 PHE C C 13 175.10 0.05 . 1 . . . . 71 PHE C . 17130 1 266 . 1 1 72 72 PHE CA C 13 57.1 0.1 . 1 . . . . 71 PHE CA . 17130 1 267 . 1 1 72 72 PHE N N 15 116.23 0.01 . 1 . . . . 71 PHE N . 17130 1 268 . 1 1 73 73 ALA H H 1 9.486 0.004 . 1 . . . . 72 ALA H . 17130 1 269 . 1 1 73 73 ALA C C 13 177.19 0.05 . 1 . . . . 72 ALA C . 17130 1 270 . 1 1 73 73 ALA CA C 13 55.1 0.1 . 1 . . . . 72 ALA CA . 17130 1 271 . 1 1 73 73 ALA N N 15 123.96 0.01 . 1 . . . . 72 ALA N . 17130 1 272 . 1 1 74 74 ARG H H 1 7.734 0.004 . 1 . . . . 73 ARG H . 17130 1 273 . 1 1 74 74 ARG C C 13 177.95 0.05 . 1 . . . . 73 ARG C . 17130 1 274 . 1 1 74 74 ARG CA C 13 54.2 0.1 . 1 . . . . 73 ARG CA . 17130 1 275 . 1 1 74 74 ARG N N 15 112.38 0.01 . 1 . . . . 73 ARG N . 17130 1 276 . 1 1 75 75 SER H H 1 8.628 0.004 . 1 . . . . 74 SER H . 17130 1 277 . 1 1 75 75 SER C C 13 177.16 0.05 . 1 . . . . 74 SER C . 17130 1 278 . 1 1 75 75 SER CA C 13 60.6 0.1 . 1 . . . . 74 SER CA . 17130 1 279 . 1 1 75 75 SER N N 15 120.51 0.01 . 1 . . . . 74 SER N . 17130 1 280 . 1 1 76 76 ASP H H 1 8.726 0.004 . 1 . . . . 75 ASP H . 17130 1 281 . 1 1 76 76 ASP C C 13 178.76 0.05 . 1 . . . . 75 ASP C . 17130 1 282 . 1 1 76 76 ASP CA C 13 56.4 0.1 . 1 . . . . 75 ASP CA . 17130 1 283 . 1 1 76 76 ASP N N 15 120.72 0.01 . 1 . . . . 75 ASP N . 17130 1 284 . 1 1 77 77 GLU H H 1 6.720 0.004 . 1 . . . . 76 GLU H . 17130 1 285 . 1 1 77 77 GLU C C 13 179.25 0.05 . 1 . . . . 76 GLU C . 17130 1 286 . 1 1 77 77 GLU CA C 13 58.8 0.1 . 1 . . . . 76 GLU CA . 17130 1 287 . 1 1 77 77 GLU N N 15 121.39 0.01 . 1 . . . . 76 GLU N . 17130 1 288 . 1 1 78 78 ARG H H 1 6.844 0.004 . 1 . . . . 77 ARG H . 17130 1 289 . 1 1 78 78 ARG C C 13 177.46 0.05 . 1 . . . . 77 ARG C . 17130 1 290 . 1 1 78 78 ARG CA C 13 59.3 0.1 . 1 . . . . 77 ARG CA . 17130 1 291 . 1 1 78 78 ARG N N 15 120.67 0.01 . 1 . . . . 77 ARG N . 17130 1 292 . 1 1 79 79 LYS H H 1 8.124 0.004 . 1 . . . . 78 LYS H . 17130 1 293 . 1 1 79 79 LYS C C 13 178.96 0.05 . 1 . . . . 78 LYS C . 17130 1 294 . 1 1 79 79 LYS CA C 13 60.0 0.1 . 1 . . . . 78 LYS CA . 17130 1 295 . 1 1 79 79 LYS N N 15 121.29 0.01 . 1 . . . . 78 LYS N . 17130 1 296 . 1 1 80 80 ARG H H 1 7.697 0.004 . 1 . . . . 79 ARG H . 17130 1 297 . 1 1 80 80 ARG C C 13 178.56 0.05 . 1 . . . . 79 ARG C . 17130 1 298 . 1 1 80 80 ARG CA C 13 59.8 0.1 . 1 . . . . 79 ARG CA . 17130 1 299 . 1 1 80 80 ARG N N 15 118.94 0.01 . 1 . . . . 79 ARG N . 17130 1 300 . 1 1 81 81 HIS H H 1 7.462 0.004 . 1 . . . . 80 HIS H . 17130 1 301 . 1 1 81 81 HIS C C 13 175.75 0.05 . 1 . . . . 80 HIS C . 17130 1 302 . 1 1 81 81 HIS CA C 13 59.4 0.1 . 1 . . . . 80 HIS CA . 17130 1 303 . 1 1 81 81 HIS N N 15 117.67 0.01 . 1 . . . . 80 HIS N . 17130 1 304 . 1 1 82 82 THR H H 1 8.256 0.004 . 1 . . . . 81 THR H . 17130 1 305 . 1 1 82 82 THR C C 13 175.75 0.05 . 1 . . . . 81 THR C . 17130 1 306 . 1 1 82 82 THR CA C 13 66.7 0.1 . 1 . . . . 81 THR CA . 17130 1 307 . 1 1 82 82 THR N N 15 111.33 0.01 . 1 . . . . 81 THR N . 17130 1 308 . 1 1 83 83 LYS H H 1 7.152 0.004 . 1 . . . . 82 LYS H . 17130 1 309 . 1 1 83 83 LYS C C 13 178.80 0.05 . 1 . . . . 82 LYS C . 17130 1 310 . 1 1 83 83 LYS CA C 13 63.3 0.1 . 1 . . . . 82 LYS CA . 17130 1 311 . 1 1 83 83 LYS N N 15 119.35 0.01 . 1 . . . . 82 LYS N . 17130 1 312 . 1 1 84 84 ILE H H 1 7.827 0.004 . 1 . . . . 83 ILE H . 17130 1 313 . 1 1 84 84 ILE C C 13 177.37 0.05 . 1 . . . . 83 ILE C . 17130 1 314 . 1 1 84 84 ILE CA C 13 63.4 0.1 . 1 . . . . 83 ILE CA . 17130 1 315 . 1 1 84 84 ILE N N 15 116.42 0.01 . 1 . . . . 83 ILE N . 17130 1 316 . 1 1 85 85 HIS H H 1 7.266 0.004 . 1 . . . . 84 HIS H . 17130 1 317 . 1 1 85 85 HIS C C 13 175.31 0.05 . 1 . . . . 84 HIS C . 17130 1 318 . 1 1 85 85 HIS CA C 13 55.5 0.1 . 1 . . . . 84 HIS CA . 17130 1 319 . 1 1 85 85 HIS N N 15 116.84 0.01 . 1 . . . . 84 HIS N . 17130 1 320 . 1 1 86 86 LEU H H 1 7.465 0.004 . 1 . . . . 85 LEU H . 17130 1 321 . 1 1 86 86 LEU C C 13 177.17 0.05 . 1 . . . . 85 LEU C . 17130 1 322 . 1 1 86 86 LEU CA C 13 55.5 0.1 . 1 . . . . 85 LEU CA . 17130 1 323 . 1 1 86 86 LEU N N 15 120.11 0.01 . 1 . . . . 85 LEU N . 17130 1 324 . 1 1 87 87 ARG H H 1 7.996 0.004 . 1 . . . . 86 ARG H . 17130 1 325 . 1 1 87 87 ARG C C 13 176.14 0.05 . 1 . . . . 86 ARG C . 17130 1 326 . 1 1 87 87 ARG CA C 13 56.2 0.1 . 1 . . . . 86 ARG CA . 17130 1 327 . 1 1 87 87 ARG N N 15 120.77 0.01 . 1 . . . . 86 ARG N . 17130 1 328 . 1 1 88 88 GLN H H 1 8.301 0.004 . 1 . . . . 87 GLN H . 17130 1 329 . 1 1 88 88 GLN C C 13 175.57 0.05 . 1 . . . . 87 GLN C . 17130 1 330 . 1 1 88 88 GLN CA C 13 56.0 0.1 . 1 . . . . 87 GLN CA . 17130 1 331 . 1 1 88 88 GLN N N 15 121.81 0.01 . 1 . . . . 87 GLN N . 17130 1 332 . 1 1 89 89 LYS H H 1 8.272 0.004 . 1 . . . . 88 LYS H . 17130 1 333 . 1 1 89 89 LYS C C 13 175.17 0.05 . 1 . . . . 88 LYS C . 17130 1 334 . 1 1 89 89 LYS CA C 13 56.4 0.1 . 1 . . . . 88 LYS CA . 17130 1 335 . 1 1 89 89 LYS N N 15 122.85 0.01 . 1 . . . . 88 LYS N . 17130 1 336 . 1 1 90 90 ASP H H 1 7.954 0.004 . 1 . . . . 89 ASP H . 17130 1 337 . 1 1 90 90 ASP C C 13 180.82 0.05 . 1 . . . . 89 ASP C . 17130 1 338 . 1 1 90 90 ASP CA C 13 56.1 0.1 . 1 . . . . 89 ASP CA . 17130 1 339 . 1 1 90 90 ASP N N 15 127.31 0.01 . 1 . . . . 89 ASP N . 17130 1 stop_ save_