data_18381 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18381 _Entry.Title ; The backbone chemical shifts of IscU complexed with HscA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-08 _Entry.Accession_date 2012-04-08 _Entry.Last_release_date 2012-04-09 _Entry.Original_release_date 2012-04-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 'Jin Hae' Kim . . . . 18381 2 Marco Tonelli . . . . 18381 3 John Markley . L. . . 18381 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18381 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 18381 '15N chemical shifts' 71 18381 '1H chemical shifts' 71 18381 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 2 . . 2019-10-30 2012-04-08 update BMRB 'complete entry, etc.' 18381 1 . . 2012-09-14 2012-04-08 original author 'original release' 18381 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17836 'The chemical shifts of apo-IscU in the disordered conformation' 18381 BMRB 17837 'The chemical shifts of apo-IscU in the structured conformation' 18381 BMRB 18359 IscU(D39V) 18381 BMRB 18360 IscU(E111A) 18381 BMRB 18361 IscU(N90A) 18381 BMRB 18362 IscU(S107A) 18381 PDB 2KQK 'NMR solution structure of apo-IscU(D39A)' 18381 PDB 2L4X 'NMR solution structure of apo-IscU(WT)' 18381 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18381 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22782893 _Citation.Full_citation . _Citation.Title ; Specialized Hsp70 Chaperone (HscA) Binds Preferentially to the Disordered Form, whereas J-protein (HscB) Binds Preferentially to the Structured Form of the Iron-Sulfur Cluster Scaffold Protein (IscU). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _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 31406 _Citation.Page_last 31413 _Citation.Year 2012 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jin Hae' Kim . . . . 18381 1 2 Marco Tonelli . . . . 18381 1 3 Ronnie Frederick . O. . . 18381 1 4 'Darius C-F' Chow . . . . 18381 1 5 John Markley . L. . . 18381 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18381 _Assembly.ID 1 _Assembly.Name IscU-HscA _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 IscU 1 $IscU A . yes native no no . 'Scaffold for the Fe-S cluster' 'The disordered conformation of IscU is stabilized by HscA.' 18381 1 2 HscA 2 $HscA A . no native no no . 'Specialized Hsp70-type chaperone' . 18381 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1U00 . . X-ray 1.95 'Structure of the substrate binding domain of HscA complexed with ELPPVKIHC' . 18381 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'HscA facilitates the iron-sulfur cluster transfer from IscU.' 18381 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 18381 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IscU _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 ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGDV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _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 1 MET . 18381 1 2 2 ALA . 18381 1 3 3 TYR . 18381 1 4 4 SER . 18381 1 5 5 GLU . 18381 1 6 6 LYS . 18381 1 7 7 VAL . 18381 1 8 8 ILE . 18381 1 9 9 ASP . 18381 1 10 10 HIS . 18381 1 11 11 TYR . 18381 1 12 12 GLU . 18381 1 13 13 ASN . 18381 1 14 14 PRO . 18381 1 15 15 ARG . 18381 1 16 16 ASN . 18381 1 17 17 VAL . 18381 1 18 18 GLY . 18381 1 19 19 SER . 18381 1 20 20 PHE . 18381 1 21 21 ASP . 18381 1 22 22 ASN . 18381 1 23 23 ASN . 18381 1 24 24 ASP . 18381 1 25 25 GLU . 18381 1 26 26 ASN . 18381 1 27 27 VAL . 18381 1 28 28 GLY . 18381 1 29 29 SER . 18381 1 30 30 GLY . 18381 1 31 31 MET . 18381 1 32 32 VAL . 18381 1 33 33 GLY . 18381 1 34 34 ALA . 18381 1 35 35 PRO . 18381 1 36 36 ALA . 18381 1 37 37 CYS . 18381 1 38 38 GLY . 18381 1 39 39 ASP . 18381 1 40 40 VAL . 18381 1 41 41 MET . 18381 1 42 42 LYS . 18381 1 43 43 LEU . 18381 1 44 44 GLN . 18381 1 45 45 ILE . 18381 1 46 46 LYS . 18381 1 47 47 VAL . 18381 1 48 48 ASN . 18381 1 49 49 ASP . 18381 1 50 50 GLU . 18381 1 51 51 GLY . 18381 1 52 52 ILE . 18381 1 53 53 ILE . 18381 1 54 54 GLU . 18381 1 55 55 ASP . 18381 1 56 56 ALA . 18381 1 57 57 ARG . 18381 1 58 58 PHE . 18381 1 59 59 LYS . 18381 1 60 60 THR . 18381 1 61 61 TYR . 18381 1 62 62 GLY . 18381 1 63 63 CYS . 18381 1 64 64 GLY . 18381 1 65 65 SER . 18381 1 66 66 ALA . 18381 1 67 67 ILE . 18381 1 68 68 ALA . 18381 1 69 69 SER . 18381 1 70 70 SER . 18381 1 71 71 SER . 18381 1 72 72 LEU . 18381 1 73 73 VAL . 18381 1 74 74 THR . 18381 1 75 75 GLU . 18381 1 76 76 TRP . 18381 1 77 77 VAL . 18381 1 78 78 LYS . 18381 1 79 79 GLY . 18381 1 80 80 LYS . 18381 1 81 81 SER . 18381 1 82 82 LEU . 18381 1 83 83 ASP . 18381 1 84 84 GLU . 18381 1 85 85 ALA . 18381 1 86 86 GLN . 18381 1 87 87 ALA . 18381 1 88 88 ILE . 18381 1 89 89 LYS . 18381 1 90 90 ASN . 18381 1 91 91 THR . 18381 1 92 92 ASP . 18381 1 93 93 ILE . 18381 1 94 94 ALA . 18381 1 95 95 GLU . 18381 1 96 96 GLU . 18381 1 97 97 LEU . 18381 1 98 98 GLU . 18381 1 99 99 LEU . 18381 1 100 100 PRO . 18381 1 101 101 PRO . 18381 1 102 102 VAL . 18381 1 103 103 LYS . 18381 1 104 104 ILE . 18381 1 105 105 HIS . 18381 1 106 106 CYS . 18381 1 107 107 SER . 18381 1 108 108 ILE . 18381 1 109 109 LEU . 18381 1 110 110 ALA . 18381 1 111 111 GLU . 18381 1 112 112 ASP . 18381 1 113 113 ALA . 18381 1 114 114 ILE . 18381 1 115 115 LYS . 18381 1 116 116 ALA . 18381 1 117 117 ALA . 18381 1 118 118 ILE . 18381 1 119 119 ALA . 18381 1 120 120 ASP . 18381 1 121 121 TYR . 18381 1 122 122 LYS . 18381 1 123 123 SER . 18381 1 124 124 LYS . 18381 1 125 125 ARG . 18381 1 126 126 GLU . 18381 1 127 127 ALA . 18381 1 128 128 LYS . 18381 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 . MET 1 1 18381 1 . ALA 2 2 18381 1 . TYR 3 3 18381 1 . SER 4 4 18381 1 . GLU 5 5 18381 1 . LYS 6 6 18381 1 . VAL 7 7 18381 1 . ILE 8 8 18381 1 . ASP 9 9 18381 1 . HIS 10 10 18381 1 . TYR 11 11 18381 1 . GLU 12 12 18381 1 . ASN 13 13 18381 1 . PRO 14 14 18381 1 . ARG 15 15 18381 1 . ASN 16 16 18381 1 . VAL 17 17 18381 1 . GLY 18 18 18381 1 . SER 19 19 18381 1 . PHE 20 20 18381 1 . ASP 21 21 18381 1 . ASN 22 22 18381 1 . ASN 23 23 18381 1 . ASP 24 24 18381 1 . GLU 25 25 18381 1 . ASN 26 26 18381 1 . VAL 27 27 18381 1 . GLY 28 28 18381 1 . SER 29 29 18381 1 . GLY 30 30 18381 1 . MET 31 31 18381 1 . VAL 32 32 18381 1 . GLY 33 33 18381 1 . ALA 34 34 18381 1 . PRO 35 35 18381 1 . ALA 36 36 18381 1 . CYS 37 37 18381 1 . GLY 38 38 18381 1 . ASP 39 39 18381 1 . VAL 40 40 18381 1 . MET 41 41 18381 1 . LYS 42 42 18381 1 . LEU 43 43 18381 1 . GLN 44 44 18381 1 . ILE 45 45 18381 1 . LYS 46 46 18381 1 . VAL 47 47 18381 1 . ASN 48 48 18381 1 . ASP 49 49 18381 1 . GLU 50 50 18381 1 . GLY 51 51 18381 1 . ILE 52 52 18381 1 . ILE 53 53 18381 1 . GLU 54 54 18381 1 . ASP 55 55 18381 1 . ALA 56 56 18381 1 . ARG 57 57 18381 1 . PHE 58 58 18381 1 . LYS 59 59 18381 1 . THR 60 60 18381 1 . TYR 61 61 18381 1 . GLY 62 62 18381 1 . CYS 63 63 18381 1 . GLY 64 64 18381 1 . SER 65 65 18381 1 . ALA 66 66 18381 1 . ILE 67 67 18381 1 . ALA 68 68 18381 1 . SER 69 69 18381 1 . SER 70 70 18381 1 . SER 71 71 18381 1 . LEU 72 72 18381 1 . VAL 73 73 18381 1 . THR 74 74 18381 1 . GLU 75 75 18381 1 . TRP 76 76 18381 1 . VAL 77 77 18381 1 . LYS 78 78 18381 1 . GLY 79 79 18381 1 . LYS 80 80 18381 1 . SER 81 81 18381 1 . LEU 82 82 18381 1 . ASP 83 83 18381 1 . GLU 84 84 18381 1 . ALA 85 85 18381 1 . GLN 86 86 18381 1 . ALA 87 87 18381 1 . ILE 88 88 18381 1 . LYS 89 89 18381 1 . ASN 90 90 18381 1 . THR 91 91 18381 1 . ASP 92 92 18381 1 . ILE 93 93 18381 1 . ALA 94 94 18381 1 . GLU 95 95 18381 1 . GLU 96 96 18381 1 . LEU 97 97 18381 1 . GLU 98 98 18381 1 . LEU 99 99 18381 1 . PRO 100 100 18381 1 . PRO 101 101 18381 1 . VAL 102 102 18381 1 . LYS 103 103 18381 1 . ILE 104 104 18381 1 . HIS 105 105 18381 1 . CYS 106 106 18381 1 . SER 107 107 18381 1 . ILE 108 108 18381 1 . LEU 109 109 18381 1 . ALA 110 110 18381 1 . GLU 111 111 18381 1 . ASP 112 112 18381 1 . ALA 113 113 18381 1 . ILE 114 114 18381 1 . LYS 115 115 18381 1 . ALA 116 116 18381 1 . ALA 117 117 18381 1 . ILE 118 118 18381 1 . ALA 119 119 18381 1 . ASP 120 120 18381 1 . TYR 121 121 18381 1 . LYS 122 122 18381 1 . SER 123 123 18381 1 . LYS 124 124 18381 1 . ARG 125 125 18381 1 . GLU 126 126 18381 1 . ALA 127 127 18381 1 . LYS 128 128 18381 1 stop_ save_ save_HscA _Entity.Sf_category entity _Entity.Sf_framecode HscA _Entity.Entry_ID 18381 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HscA _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 ; MALLQISEPGLSAAPHQRRL AAGIDLGTTNSLVATVRSGQ AETLADHEGRHLLPSVVHYQ QQGHSVGYDARTNAALDTAN TISSVKRLMGRSLADIQQRY PHLPYQFQASENGLPMIETA AGLLNPVRVSADILKALAAR ATEALAGELDGVVITVPAYF DDAQRQGTKDAARLAGLHVL RLLNEPTAAAIAYGLDSGQE GVIAVYDLGGGTFDISILRL SRGVFEVLATGGDSALGGDD FDHLLADYIREQAGIPDRSD NRVQRELLDAAIAAKIALSD ADSVTVNVAGWQGEISREQF NELIAPLVKRTLLACRRALK DAGVEADEVLEVVMVGGSTR VPLVRERVGEFFGRPPLTSI DPDKVVAIGAAIQADILVGN KPDSEMLLLDVIPLSLGLET MGGLVEKVIPRNTTIPVARA QDFTTFKDGQTAMSIHVMQG ERELVQDCRSLARFALRGIP ALPAGGAHIRVTFQVDADGL LSVTAMEKSTGVEASIQVKP SYGLTDSEIASMIKDSMSYA EQDVKARMLAEQKVEAARVL ESLHGALAADAALLSAAERQ VIDDAAAHLSEVAQGDDVDA IEKAIKNVDKQTQDFAARRM DQSVRRALKGHSVDEV ; _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 616 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _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 . MET . 18381 2 2 . ALA . 18381 2 3 . LEU . 18381 2 4 . LEU . 18381 2 5 . GLN . 18381 2 6 . ILE . 18381 2 7 . SER . 18381 2 8 . GLU . 18381 2 9 . PRO . 18381 2 10 . GLY . 18381 2 11 . LEU . 18381 2 12 . SER . 18381 2 13 . ALA . 18381 2 14 . ALA . 18381 2 15 . PRO . 18381 2 16 . HIS . 18381 2 17 . GLN . 18381 2 18 . ARG . 18381 2 19 . ARG . 18381 2 20 . LEU . 18381 2 21 . ALA . 18381 2 22 . ALA . 18381 2 23 . GLY . 18381 2 24 . ILE . 18381 2 25 . ASP . 18381 2 26 . LEU . 18381 2 27 . GLY . 18381 2 28 . THR . 18381 2 29 . THR . 18381 2 30 . ASN . 18381 2 31 . SER . 18381 2 32 . LEU . 18381 2 33 . VAL . 18381 2 34 . ALA . 18381 2 35 . THR . 18381 2 36 . VAL . 18381 2 37 . ARG . 18381 2 38 . SER . 18381 2 39 . GLY . 18381 2 40 . GLN . 18381 2 41 . ALA . 18381 2 42 . GLU . 18381 2 43 . THR . 18381 2 44 . LEU . 18381 2 45 . ALA . 18381 2 46 . ASP . 18381 2 47 . HIS . 18381 2 48 . GLU . 18381 2 49 . GLY . 18381 2 50 . ARG . 18381 2 51 . HIS . 18381 2 52 . LEU . 18381 2 53 . LEU . 18381 2 54 . PRO . 18381 2 55 . SER . 18381 2 56 . VAL . 18381 2 57 . VAL . 18381 2 58 . HIS . 18381 2 59 . TYR . 18381 2 60 . GLN . 18381 2 61 . GLN . 18381 2 62 . GLN . 18381 2 63 . GLY . 18381 2 64 . HIS . 18381 2 65 . SER . 18381 2 66 . VAL . 18381 2 67 . GLY . 18381 2 68 . TYR . 18381 2 69 . ASP . 18381 2 70 . ALA . 18381 2 71 . ARG . 18381 2 72 . THR . 18381 2 73 . ASN . 18381 2 74 . ALA . 18381 2 75 . ALA . 18381 2 76 . LEU . 18381 2 77 . ASP . 18381 2 78 . THR . 18381 2 79 . ALA . 18381 2 80 . ASN . 18381 2 81 . THR . 18381 2 82 . ILE . 18381 2 83 . SER . 18381 2 84 . SER . 18381 2 85 . VAL . 18381 2 86 . LYS . 18381 2 87 . ARG . 18381 2 88 . LEU . 18381 2 89 . MET . 18381 2 90 . GLY . 18381 2 91 . ARG . 18381 2 92 . SER . 18381 2 93 . LEU . 18381 2 94 . ALA . 18381 2 95 . ASP . 18381 2 96 . ILE . 18381 2 97 . GLN . 18381 2 98 . GLN . 18381 2 99 . ARG . 18381 2 100 . TYR . 18381 2 101 . PRO . 18381 2 102 . HIS . 18381 2 103 . LEU . 18381 2 104 . PRO . 18381 2 105 . TYR . 18381 2 106 . GLN . 18381 2 107 . PHE . 18381 2 108 . GLN . 18381 2 109 . ALA . 18381 2 110 . SER . 18381 2 111 . GLU . 18381 2 112 . ASN . 18381 2 113 . GLY . 18381 2 114 . LEU . 18381 2 115 . PRO . 18381 2 116 . MET . 18381 2 117 . ILE . 18381 2 118 . GLU . 18381 2 119 . THR . 18381 2 120 . ALA . 18381 2 121 . ALA . 18381 2 122 . GLY . 18381 2 123 . LEU . 18381 2 124 . LEU . 18381 2 125 . ASN . 18381 2 126 . PRO . 18381 2 127 . VAL . 18381 2 128 . ARG . 18381 2 129 . VAL . 18381 2 130 . SER . 18381 2 131 . ALA . 18381 2 132 . ASP . 18381 2 133 . ILE . 18381 2 134 . LEU . 18381 2 135 . LYS . 18381 2 136 . ALA . 18381 2 137 . LEU . 18381 2 138 . ALA . 18381 2 139 . ALA . 18381 2 140 . ARG . 18381 2 141 . ALA . 18381 2 142 . THR . 18381 2 143 . GLU . 18381 2 144 . ALA . 18381 2 145 . LEU . 18381 2 146 . ALA . 18381 2 147 . GLY . 18381 2 148 . GLU . 18381 2 149 . LEU . 18381 2 150 . ASP . 18381 2 151 . GLY . 18381 2 152 . VAL . 18381 2 153 . VAL . 18381 2 154 . ILE . 18381 2 155 . THR . 18381 2 156 . VAL . 18381 2 157 . PRO . 18381 2 158 . ALA . 18381 2 159 . TYR . 18381 2 160 . PHE . 18381 2 161 . ASP . 18381 2 162 . ASP . 18381 2 163 . ALA . 18381 2 164 . GLN . 18381 2 165 . ARG . 18381 2 166 . GLN . 18381 2 167 . GLY . 18381 2 168 . THR . 18381 2 169 . LYS . 18381 2 170 . ASP . 18381 2 171 . ALA . 18381 2 172 . ALA . 18381 2 173 . ARG . 18381 2 174 . LEU . 18381 2 175 . ALA . 18381 2 176 . GLY . 18381 2 177 . LEU . 18381 2 178 . HIS . 18381 2 179 . VAL . 18381 2 180 . LEU . 18381 2 181 . ARG . 18381 2 182 . LEU . 18381 2 183 . LEU . 18381 2 184 . ASN . 18381 2 185 . GLU . 18381 2 186 . PRO . 18381 2 187 . THR . 18381 2 188 . ALA . 18381 2 189 . ALA . 18381 2 190 . ALA . 18381 2 191 . ILE . 18381 2 192 . ALA . 18381 2 193 . TYR . 18381 2 194 . GLY . 18381 2 195 . LEU . 18381 2 196 . ASP . 18381 2 197 . SER . 18381 2 198 . GLY . 18381 2 199 . GLN . 18381 2 200 . GLU . 18381 2 201 . GLY . 18381 2 202 . VAL . 18381 2 203 . ILE . 18381 2 204 . ALA . 18381 2 205 . VAL . 18381 2 206 . TYR . 18381 2 207 . ASP . 18381 2 208 . LEU . 18381 2 209 . GLY . 18381 2 210 . GLY . 18381 2 211 . GLY . 18381 2 212 . THR . 18381 2 213 . PHE . 18381 2 214 . ASP . 18381 2 215 . ILE . 18381 2 216 . SER . 18381 2 217 . ILE . 18381 2 218 . LEU . 18381 2 219 . ARG . 18381 2 220 . LEU . 18381 2 221 . SER . 18381 2 222 . ARG . 18381 2 223 . GLY . 18381 2 224 . VAL . 18381 2 225 . PHE . 18381 2 226 . GLU . 18381 2 227 . VAL . 18381 2 228 . LEU . 18381 2 229 . ALA . 18381 2 230 . THR . 18381 2 231 . GLY . 18381 2 232 . GLY . 18381 2 233 . ASP . 18381 2 234 . SER . 18381 2 235 . ALA . 18381 2 236 . LEU . 18381 2 237 . GLY . 18381 2 238 . GLY . 18381 2 239 . ASP . 18381 2 240 . ASP . 18381 2 241 . PHE . 18381 2 242 . ASP . 18381 2 243 . HIS . 18381 2 244 . LEU . 18381 2 245 . LEU . 18381 2 246 . ALA . 18381 2 247 . ASP . 18381 2 248 . TYR . 18381 2 249 . ILE . 18381 2 250 . ARG . 18381 2 251 . GLU . 18381 2 252 . GLN . 18381 2 253 . ALA . 18381 2 254 . GLY . 18381 2 255 . ILE . 18381 2 256 . PRO . 18381 2 257 . ASP . 18381 2 258 . ARG . 18381 2 259 . SER . 18381 2 260 . ASP . 18381 2 261 . ASN . 18381 2 262 . ARG . 18381 2 263 . VAL . 18381 2 264 . GLN . 18381 2 265 . ARG . 18381 2 266 . GLU . 18381 2 267 . LEU . 18381 2 268 . LEU . 18381 2 269 . ASP . 18381 2 270 . ALA . 18381 2 271 . ALA . 18381 2 272 . ILE . 18381 2 273 . ALA . 18381 2 274 . ALA . 18381 2 275 . LYS . 18381 2 276 . ILE . 18381 2 277 . ALA . 18381 2 278 . LEU . 18381 2 279 . SER . 18381 2 280 . ASP . 18381 2 281 . ALA . 18381 2 282 . ASP . 18381 2 283 . SER . 18381 2 284 . VAL . 18381 2 285 . THR . 18381 2 286 . VAL . 18381 2 287 . ASN . 18381 2 288 . VAL . 18381 2 289 . ALA . 18381 2 290 . GLY . 18381 2 291 . TRP . 18381 2 292 . GLN . 18381 2 293 . GLY . 18381 2 294 . GLU . 18381 2 295 . ILE . 18381 2 296 . SER . 18381 2 297 . ARG . 18381 2 298 . GLU . 18381 2 299 . GLN . 18381 2 300 . PHE . 18381 2 301 . ASN . 18381 2 302 . GLU . 18381 2 303 . LEU . 18381 2 304 . ILE . 18381 2 305 . ALA . 18381 2 306 . PRO . 18381 2 307 . LEU . 18381 2 308 . VAL . 18381 2 309 . LYS . 18381 2 310 . ARG . 18381 2 311 . THR . 18381 2 312 . LEU . 18381 2 313 . LEU . 18381 2 314 . ALA . 18381 2 315 . CYS . 18381 2 316 . ARG . 18381 2 317 . ARG . 18381 2 318 . ALA . 18381 2 319 . LEU . 18381 2 320 . LYS . 18381 2 321 . ASP . 18381 2 322 . ALA . 18381 2 323 . GLY . 18381 2 324 . VAL . 18381 2 325 . GLU . 18381 2 326 . ALA . 18381 2 327 . ASP . 18381 2 328 . GLU . 18381 2 329 . VAL . 18381 2 330 . LEU . 18381 2 331 . GLU . 18381 2 332 . VAL . 18381 2 333 . VAL . 18381 2 334 . MET . 18381 2 335 . VAL . 18381 2 336 . GLY . 18381 2 337 . GLY . 18381 2 338 . SER . 18381 2 339 . THR . 18381 2 340 . ARG . 18381 2 341 . VAL . 18381 2 342 . PRO . 18381 2 343 . LEU . 18381 2 344 . VAL . 18381 2 345 . ARG . 18381 2 346 . GLU . 18381 2 347 . ARG . 18381 2 348 . VAL . 18381 2 349 . GLY . 18381 2 350 . GLU . 18381 2 351 . PHE . 18381 2 352 . PHE . 18381 2 353 . GLY . 18381 2 354 . ARG . 18381 2 355 . PRO . 18381 2 356 . PRO . 18381 2 357 . LEU . 18381 2 358 . THR . 18381 2 359 . SER . 18381 2 360 . ILE . 18381 2 361 . ASP . 18381 2 362 . PRO . 18381 2 363 . ASP . 18381 2 364 . LYS . 18381 2 365 . VAL . 18381 2 366 . VAL . 18381 2 367 . ALA . 18381 2 368 . ILE . 18381 2 369 . GLY . 18381 2 370 . ALA . 18381 2 371 . ALA . 18381 2 372 . ILE . 18381 2 373 . GLN . 18381 2 374 . ALA . 18381 2 375 . ASP . 18381 2 376 . ILE . 18381 2 377 . LEU . 18381 2 378 . VAL . 18381 2 379 . GLY . 18381 2 380 . ASN . 18381 2 381 . LYS . 18381 2 382 . PRO . 18381 2 383 . ASP . 18381 2 384 . SER . 18381 2 385 . GLU . 18381 2 386 . MET . 18381 2 387 . LEU . 18381 2 388 . LEU . 18381 2 389 . LEU . 18381 2 390 . ASP . 18381 2 391 . VAL . 18381 2 392 . ILE . 18381 2 393 . PRO . 18381 2 394 . LEU . 18381 2 395 . SER . 18381 2 396 . LEU . 18381 2 397 . GLY . 18381 2 398 . LEU . 18381 2 399 . GLU . 18381 2 400 . THR . 18381 2 401 . MET . 18381 2 402 . GLY . 18381 2 403 . GLY . 18381 2 404 . LEU . 18381 2 405 . VAL . 18381 2 406 . GLU . 18381 2 407 . LYS . 18381 2 408 . VAL . 18381 2 409 . ILE . 18381 2 410 . PRO . 18381 2 411 . ARG . 18381 2 412 . ASN . 18381 2 413 . THR . 18381 2 414 . THR . 18381 2 415 . ILE . 18381 2 416 . PRO . 18381 2 417 . VAL . 18381 2 418 . ALA . 18381 2 419 . ARG . 18381 2 420 . ALA . 18381 2 421 . GLN . 18381 2 422 . ASP . 18381 2 423 . PHE . 18381 2 424 . THR . 18381 2 425 . THR . 18381 2 426 . PHE . 18381 2 427 . LYS . 18381 2 428 . ASP . 18381 2 429 . GLY . 18381 2 430 . GLN . 18381 2 431 . THR . 18381 2 432 . ALA . 18381 2 433 . MET . 18381 2 434 . SER . 18381 2 435 . ILE . 18381 2 436 . HIS . 18381 2 437 . VAL . 18381 2 438 . MET . 18381 2 439 . GLN . 18381 2 440 . GLY . 18381 2 441 . GLU . 18381 2 442 . ARG . 18381 2 443 . GLU . 18381 2 444 . LEU . 18381 2 445 . VAL . 18381 2 446 . GLN . 18381 2 447 . ASP . 18381 2 448 . CYS . 18381 2 449 . ARG . 18381 2 450 . SER . 18381 2 451 . LEU . 18381 2 452 . ALA . 18381 2 453 . ARG . 18381 2 454 . PHE . 18381 2 455 . ALA . 18381 2 456 . LEU . 18381 2 457 . ARG . 18381 2 458 . GLY . 18381 2 459 . ILE . 18381 2 460 . PRO . 18381 2 461 . ALA . 18381 2 462 . LEU . 18381 2 463 . PRO . 18381 2 464 . ALA . 18381 2 465 . GLY . 18381 2 466 . GLY . 18381 2 467 . ALA . 18381 2 468 . HIS . 18381 2 469 . ILE . 18381 2 470 . ARG . 18381 2 471 . VAL . 18381 2 472 . THR . 18381 2 473 . PHE . 18381 2 474 . GLN . 18381 2 475 . VAL . 18381 2 476 . ASP . 18381 2 477 . ALA . 18381 2 478 . ASP . 18381 2 479 . GLY . 18381 2 480 . LEU . 18381 2 481 . LEU . 18381 2 482 . SER . 18381 2 483 . VAL . 18381 2 484 . THR . 18381 2 485 . ALA . 18381 2 486 . MET . 18381 2 487 . GLU . 18381 2 488 . LYS . 18381 2 489 . SER . 18381 2 490 . THR . 18381 2 491 . GLY . 18381 2 492 . VAL . 18381 2 493 . GLU . 18381 2 494 . ALA . 18381 2 495 . SER . 18381 2 496 . ILE . 18381 2 497 . GLN . 18381 2 498 . VAL . 18381 2 499 . LYS . 18381 2 500 . PRO . 18381 2 501 . SER . 18381 2 502 . TYR . 18381 2 503 . GLY . 18381 2 504 . LEU . 18381 2 505 . THR . 18381 2 506 . ASP . 18381 2 507 . SER . 18381 2 508 . GLU . 18381 2 509 . ILE . 18381 2 510 . ALA . 18381 2 511 . SER . 18381 2 512 . MET . 18381 2 513 . ILE . 18381 2 514 . LYS . 18381 2 515 . ASP . 18381 2 516 . SER . 18381 2 517 . MET . 18381 2 518 . SER . 18381 2 519 . TYR . 18381 2 520 . ALA . 18381 2 521 . GLU . 18381 2 522 . GLN . 18381 2 523 . ASP . 18381 2 524 . VAL . 18381 2 525 . LYS . 18381 2 526 . ALA . 18381 2 527 . ARG . 18381 2 528 . MET . 18381 2 529 . LEU . 18381 2 530 . ALA . 18381 2 531 . GLU . 18381 2 532 . GLN . 18381 2 533 . LYS . 18381 2 534 . VAL . 18381 2 535 . GLU . 18381 2 536 . ALA . 18381 2 537 . ALA . 18381 2 538 . ARG . 18381 2 539 . VAL . 18381 2 540 . LEU . 18381 2 541 . GLU . 18381 2 542 . SER . 18381 2 543 . LEU . 18381 2 544 . HIS . 18381 2 545 . GLY . 18381 2 546 . ALA . 18381 2 547 . LEU . 18381 2 548 . ALA . 18381 2 549 . ALA . 18381 2 550 . ASP . 18381 2 551 . ALA . 18381 2 552 . ALA . 18381 2 553 . LEU . 18381 2 554 . LEU . 18381 2 555 . SER . 18381 2 556 . ALA . 18381 2 557 . ALA . 18381 2 558 . GLU . 18381 2 559 . ARG . 18381 2 560 . GLN . 18381 2 561 . VAL . 18381 2 562 . ILE . 18381 2 563 . ASP . 18381 2 564 . ASP . 18381 2 565 . ALA . 18381 2 566 . ALA . 18381 2 567 . ALA . 18381 2 568 . HIS . 18381 2 569 . LEU . 18381 2 570 . SER . 18381 2 571 . GLU . 18381 2 572 . VAL . 18381 2 573 . ALA . 18381 2 574 . GLN . 18381 2 575 . GLY . 18381 2 576 . ASP . 18381 2 577 . ASP . 18381 2 578 . VAL . 18381 2 579 . ASP . 18381 2 580 . ALA . 18381 2 581 . ILE . 18381 2 582 . GLU . 18381 2 583 . LYS . 18381 2 584 . ALA . 18381 2 585 . ILE . 18381 2 586 . LYS . 18381 2 587 . ASN . 18381 2 588 . VAL . 18381 2 589 . ASP . 18381 2 590 . LYS . 18381 2 591 . GLN . 18381 2 592 . THR . 18381 2 593 . GLN . 18381 2 594 . ASP . 18381 2 595 . PHE . 18381 2 596 . ALA . 18381 2 597 . ALA . 18381 2 598 . ARG . 18381 2 599 . ARG . 18381 2 600 . MET . 18381 2 601 . ASP . 18381 2 602 . GLN . 18381 2 603 . SER . 18381 2 604 . VAL . 18381 2 605 . ARG . 18381 2 606 . ARG . 18381 2 607 . ALA . 18381 2 608 . LEU . 18381 2 609 . LYS . 18381 2 610 . GLY . 18381 2 611 . HIS . 18381 2 612 . SER . 18381 2 613 . VAL . 18381 2 614 . ASP . 18381 2 615 . GLU . 18381 2 616 . VAL . 18381 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 . MET 1 1 18381 2 . ALA 2 2 18381 2 . LEU 3 3 18381 2 . LEU 4 4 18381 2 . GLN 5 5 18381 2 . ILE 6 6 18381 2 . SER 7 7 18381 2 . GLU 8 8 18381 2 . PRO 9 9 18381 2 . GLY 10 10 18381 2 . LEU 11 11 18381 2 . SER 12 12 18381 2 . ALA 13 13 18381 2 . ALA 14 14 18381 2 . PRO 15 15 18381 2 . HIS 16 16 18381 2 . GLN 17 17 18381 2 . ARG 18 18 18381 2 . ARG 19 19 18381 2 . LEU 20 20 18381 2 . ALA 21 21 18381 2 . ALA 22 22 18381 2 . GLY 23 23 18381 2 . ILE 24 24 18381 2 . ASP 25 25 18381 2 . LEU 26 26 18381 2 . GLY 27 27 18381 2 . THR 28 28 18381 2 . THR 29 29 18381 2 . ASN 30 30 18381 2 . SER 31 31 18381 2 . LEU 32 32 18381 2 . VAL 33 33 18381 2 . ALA 34 34 18381 2 . THR 35 35 18381 2 . VAL 36 36 18381 2 . ARG 37 37 18381 2 . SER 38 38 18381 2 . GLY 39 39 18381 2 . GLN 40 40 18381 2 . ALA 41 41 18381 2 . GLU 42 42 18381 2 . THR 43 43 18381 2 . LEU 44 44 18381 2 . ALA 45 45 18381 2 . ASP 46 46 18381 2 . HIS 47 47 18381 2 . GLU 48 48 18381 2 . GLY 49 49 18381 2 . ARG 50 50 18381 2 . HIS 51 51 18381 2 . LEU 52 52 18381 2 . LEU 53 53 18381 2 . PRO 54 54 18381 2 . SER 55 55 18381 2 . VAL 56 56 18381 2 . VAL 57 57 18381 2 . HIS 58 58 18381 2 . TYR 59 59 18381 2 . GLN 60 60 18381 2 . GLN 61 61 18381 2 . GLN 62 62 18381 2 . GLY 63 63 18381 2 . HIS 64 64 18381 2 . SER 65 65 18381 2 . VAL 66 66 18381 2 . GLY 67 67 18381 2 . TYR 68 68 18381 2 . ASP 69 69 18381 2 . ALA 70 70 18381 2 . ARG 71 71 18381 2 . THR 72 72 18381 2 . ASN 73 73 18381 2 . ALA 74 74 18381 2 . ALA 75 75 18381 2 . LEU 76 76 18381 2 . ASP 77 77 18381 2 . THR 78 78 18381 2 . ALA 79 79 18381 2 . ASN 80 80 18381 2 . THR 81 81 18381 2 . ILE 82 82 18381 2 . SER 83 83 18381 2 . SER 84 84 18381 2 . VAL 85 85 18381 2 . LYS 86 86 18381 2 . ARG 87 87 18381 2 . LEU 88 88 18381 2 . MET 89 89 18381 2 . GLY 90 90 18381 2 . ARG 91 91 18381 2 . SER 92 92 18381 2 . LEU 93 93 18381 2 . ALA 94 94 18381 2 . ASP 95 95 18381 2 . ILE 96 96 18381 2 . GLN 97 97 18381 2 . GLN 98 98 18381 2 . ARG 99 99 18381 2 . TYR 100 100 18381 2 . PRO 101 101 18381 2 . HIS 102 102 18381 2 . LEU 103 103 18381 2 . PRO 104 104 18381 2 . TYR 105 105 18381 2 . GLN 106 106 18381 2 . PHE 107 107 18381 2 . GLN 108 108 18381 2 . ALA 109 109 18381 2 . SER 110 110 18381 2 . GLU 111 111 18381 2 . ASN 112 112 18381 2 . GLY 113 113 18381 2 . LEU 114 114 18381 2 . PRO 115 115 18381 2 . MET 116 116 18381 2 . ILE 117 117 18381 2 . GLU 118 118 18381 2 . THR 119 119 18381 2 . ALA 120 120 18381 2 . ALA 121 121 18381 2 . GLY 122 122 18381 2 . LEU 123 123 18381 2 . LEU 124 124 18381 2 . ASN 125 125 18381 2 . PRO 126 126 18381 2 . VAL 127 127 18381 2 . ARG 128 128 18381 2 . VAL 129 129 18381 2 . SER 130 130 18381 2 . ALA 131 131 18381 2 . ASP 132 132 18381 2 . ILE 133 133 18381 2 . LEU 134 134 18381 2 . LYS 135 135 18381 2 . ALA 136 136 18381 2 . LEU 137 137 18381 2 . ALA 138 138 18381 2 . ALA 139 139 18381 2 . ARG 140 140 18381 2 . ALA 141 141 18381 2 . THR 142 142 18381 2 . GLU 143 143 18381 2 . ALA 144 144 18381 2 . LEU 145 145 18381 2 . ALA 146 146 18381 2 . GLY 147 147 18381 2 . GLU 148 148 18381 2 . LEU 149 149 18381 2 . ASP 150 150 18381 2 . GLY 151 151 18381 2 . VAL 152 152 18381 2 . VAL 153 153 18381 2 . ILE 154 154 18381 2 . THR 155 155 18381 2 . VAL 156 156 18381 2 . PRO 157 157 18381 2 . ALA 158 158 18381 2 . TYR 159 159 18381 2 . PHE 160 160 18381 2 . ASP 161 161 18381 2 . ASP 162 162 18381 2 . ALA 163 163 18381 2 . GLN 164 164 18381 2 . ARG 165 165 18381 2 . GLN 166 166 18381 2 . GLY 167 167 18381 2 . THR 168 168 18381 2 . LYS 169 169 18381 2 . ASP 170 170 18381 2 . ALA 171 171 18381 2 . ALA 172 172 18381 2 . ARG 173 173 18381 2 . LEU 174 174 18381 2 . ALA 175 175 18381 2 . GLY 176 176 18381 2 . LEU 177 177 18381 2 . HIS 178 178 18381 2 . VAL 179 179 18381 2 . LEU 180 180 18381 2 . ARG 181 181 18381 2 . LEU 182 182 18381 2 . LEU 183 183 18381 2 . ASN 184 184 18381 2 . GLU 185 185 18381 2 . PRO 186 186 18381 2 . THR 187 187 18381 2 . ALA 188 188 18381 2 . ALA 189 189 18381 2 . ALA 190 190 18381 2 . ILE 191 191 18381 2 . ALA 192 192 18381 2 . TYR 193 193 18381 2 . GLY 194 194 18381 2 . LEU 195 195 18381 2 . ASP 196 196 18381 2 . SER 197 197 18381 2 . GLY 198 198 18381 2 . GLN 199 199 18381 2 . GLU 200 200 18381 2 . GLY 201 201 18381 2 . VAL 202 202 18381 2 . ILE 203 203 18381 2 . ALA 204 204 18381 2 . VAL 205 205 18381 2 . TYR 206 206 18381 2 . ASP 207 207 18381 2 . LEU 208 208 18381 2 . GLY 209 209 18381 2 . GLY 210 210 18381 2 . GLY 211 211 18381 2 . THR 212 212 18381 2 . PHE 213 213 18381 2 . ASP 214 214 18381 2 . ILE 215 215 18381 2 . SER 216 216 18381 2 . ILE 217 217 18381 2 . LEU 218 218 18381 2 . ARG 219 219 18381 2 . LEU 220 220 18381 2 . SER 221 221 18381 2 . ARG 222 222 18381 2 . GLY 223 223 18381 2 . VAL 224 224 18381 2 . PHE 225 225 18381 2 . GLU 226 226 18381 2 . VAL 227 227 18381 2 . LEU 228 228 18381 2 . ALA 229 229 18381 2 . THR 230 230 18381 2 . GLY 231 231 18381 2 . GLY 232 232 18381 2 . ASP 233 233 18381 2 . SER 234 234 18381 2 . ALA 235 235 18381 2 . LEU 236 236 18381 2 . GLY 237 237 18381 2 . GLY 238 238 18381 2 . ASP 239 239 18381 2 . ASP 240 240 18381 2 . PHE 241 241 18381 2 . ASP 242 242 18381 2 . HIS 243 243 18381 2 . LEU 244 244 18381 2 . LEU 245 245 18381 2 . ALA 246 246 18381 2 . ASP 247 247 18381 2 . TYR 248 248 18381 2 . ILE 249 249 18381 2 . ARG 250 250 18381 2 . GLU 251 251 18381 2 . GLN 252 252 18381 2 . ALA 253 253 18381 2 . GLY 254 254 18381 2 . ILE 255 255 18381 2 . PRO 256 256 18381 2 . ASP 257 257 18381 2 . ARG 258 258 18381 2 . SER 259 259 18381 2 . ASP 260 260 18381 2 . ASN 261 261 18381 2 . ARG 262 262 18381 2 . VAL 263 263 18381 2 . GLN 264 264 18381 2 . ARG 265 265 18381 2 . GLU 266 266 18381 2 . LEU 267 267 18381 2 . LEU 268 268 18381 2 . ASP 269 269 18381 2 . ALA 270 270 18381 2 . ALA 271 271 18381 2 . ILE 272 272 18381 2 . ALA 273 273 18381 2 . ALA 274 274 18381 2 . LYS 275 275 18381 2 . ILE 276 276 18381 2 . ALA 277 277 18381 2 . LEU 278 278 18381 2 . SER 279 279 18381 2 . ASP 280 280 18381 2 . ALA 281 281 18381 2 . ASP 282 282 18381 2 . SER 283 283 18381 2 . VAL 284 284 18381 2 . THR 285 285 18381 2 . VAL 286 286 18381 2 . ASN 287 287 18381 2 . VAL 288 288 18381 2 . ALA 289 289 18381 2 . GLY 290 290 18381 2 . TRP 291 291 18381 2 . GLN 292 292 18381 2 . GLY 293 293 18381 2 . GLU 294 294 18381 2 . ILE 295 295 18381 2 . SER 296 296 18381 2 . ARG 297 297 18381 2 . GLU 298 298 18381 2 . GLN 299 299 18381 2 . PHE 300 300 18381 2 . ASN 301 301 18381 2 . GLU 302 302 18381 2 . LEU 303 303 18381 2 . ILE 304 304 18381 2 . ALA 305 305 18381 2 . PRO 306 306 18381 2 . LEU 307 307 18381 2 . VAL 308 308 18381 2 . LYS 309 309 18381 2 . ARG 310 310 18381 2 . THR 311 311 18381 2 . LEU 312 312 18381 2 . LEU 313 313 18381 2 . ALA 314 314 18381 2 . CYS 315 315 18381 2 . ARG 316 316 18381 2 . ARG 317 317 18381 2 . ALA 318 318 18381 2 . LEU 319 319 18381 2 . LYS 320 320 18381 2 . ASP 321 321 18381 2 . ALA 322 322 18381 2 . GLY 323 323 18381 2 . VAL 324 324 18381 2 . GLU 325 325 18381 2 . ALA 326 326 18381 2 . ASP 327 327 18381 2 . GLU 328 328 18381 2 . VAL 329 329 18381 2 . LEU 330 330 18381 2 . GLU 331 331 18381 2 . VAL 332 332 18381 2 . VAL 333 333 18381 2 . MET 334 334 18381 2 . VAL 335 335 18381 2 . GLY 336 336 18381 2 . GLY 337 337 18381 2 . SER 338 338 18381 2 . THR 339 339 18381 2 . ARG 340 340 18381 2 . VAL 341 341 18381 2 . PRO 342 342 18381 2 . LEU 343 343 18381 2 . VAL 344 344 18381 2 . ARG 345 345 18381 2 . GLU 346 346 18381 2 . ARG 347 347 18381 2 . VAL 348 348 18381 2 . GLY 349 349 18381 2 . GLU 350 350 18381 2 . PHE 351 351 18381 2 . PHE 352 352 18381 2 . GLY 353 353 18381 2 . ARG 354 354 18381 2 . PRO 355 355 18381 2 . PRO 356 356 18381 2 . LEU 357 357 18381 2 . THR 358 358 18381 2 . SER 359 359 18381 2 . ILE 360 360 18381 2 . ASP 361 361 18381 2 . PRO 362 362 18381 2 . ASP 363 363 18381 2 . LYS 364 364 18381 2 . VAL 365 365 18381 2 . VAL 366 366 18381 2 . ALA 367 367 18381 2 . ILE 368 368 18381 2 . GLY 369 369 18381 2 . ALA 370 370 18381 2 . ALA 371 371 18381 2 . ILE 372 372 18381 2 . GLN 373 373 18381 2 . ALA 374 374 18381 2 . ASP 375 375 18381 2 . ILE 376 376 18381 2 . LEU 377 377 18381 2 . VAL 378 378 18381 2 . GLY 379 379 18381 2 . ASN 380 380 18381 2 . LYS 381 381 18381 2 . PRO 382 382 18381 2 . ASP 383 383 18381 2 . SER 384 384 18381 2 . GLU 385 385 18381 2 . MET 386 386 18381 2 . LEU 387 387 18381 2 . LEU 388 388 18381 2 . LEU 389 389 18381 2 . ASP 390 390 18381 2 . VAL 391 391 18381 2 . ILE 392 392 18381 2 . PRO 393 393 18381 2 . LEU 394 394 18381 2 . SER 395 395 18381 2 . LEU 396 396 18381 2 . GLY 397 397 18381 2 . LEU 398 398 18381 2 . GLU 399 399 18381 2 . THR 400 400 18381 2 . MET 401 401 18381 2 . GLY 402 402 18381 2 . GLY 403 403 18381 2 . LEU 404 404 18381 2 . VAL 405 405 18381 2 . GLU 406 406 18381 2 . LYS 407 407 18381 2 . VAL 408 408 18381 2 . ILE 409 409 18381 2 . PRO 410 410 18381 2 . ARG 411 411 18381 2 . ASN 412 412 18381 2 . THR 413 413 18381 2 . THR 414 414 18381 2 . ILE 415 415 18381 2 . PRO 416 416 18381 2 . VAL 417 417 18381 2 . ALA 418 418 18381 2 . ARG 419 419 18381 2 . ALA 420 420 18381 2 . GLN 421 421 18381 2 . ASP 422 422 18381 2 . PHE 423 423 18381 2 . THR 424 424 18381 2 . THR 425 425 18381 2 . PHE 426 426 18381 2 . LYS 427 427 18381 2 . ASP 428 428 18381 2 . GLY 429 429 18381 2 . GLN 430 430 18381 2 . THR 431 431 18381 2 . ALA 432 432 18381 2 . MET 433 433 18381 2 . SER 434 434 18381 2 . ILE 435 435 18381 2 . HIS 436 436 18381 2 . VAL 437 437 18381 2 . MET 438 438 18381 2 . GLN 439 439 18381 2 . GLY 440 440 18381 2 . GLU 441 441 18381 2 . ARG 442 442 18381 2 . GLU 443 443 18381 2 . LEU 444 444 18381 2 . VAL 445 445 18381 2 . GLN 446 446 18381 2 . ASP 447 447 18381 2 . CYS 448 448 18381 2 . ARG 449 449 18381 2 . SER 450 450 18381 2 . LEU 451 451 18381 2 . ALA 452 452 18381 2 . ARG 453 453 18381 2 . PHE 454 454 18381 2 . ALA 455 455 18381 2 . LEU 456 456 18381 2 . ARG 457 457 18381 2 . GLY 458 458 18381 2 . ILE 459 459 18381 2 . PRO 460 460 18381 2 . ALA 461 461 18381 2 . LEU 462 462 18381 2 . PRO 463 463 18381 2 . ALA 464 464 18381 2 . GLY 465 465 18381 2 . GLY 466 466 18381 2 . ALA 467 467 18381 2 . HIS 468 468 18381 2 . ILE 469 469 18381 2 . ARG 470 470 18381 2 . VAL 471 471 18381 2 . THR 472 472 18381 2 . PHE 473 473 18381 2 . GLN 474 474 18381 2 . VAL 475 475 18381 2 . ASP 476 476 18381 2 . ALA 477 477 18381 2 . ASP 478 478 18381 2 . GLY 479 479 18381 2 . LEU 480 480 18381 2 . LEU 481 481 18381 2 . SER 482 482 18381 2 . VAL 483 483 18381 2 . THR 484 484 18381 2 . ALA 485 485 18381 2 . MET 486 486 18381 2 . GLU 487 487 18381 2 . LYS 488 488 18381 2 . SER 489 489 18381 2 . THR 490 490 18381 2 . GLY 491 491 18381 2 . VAL 492 492 18381 2 . GLU 493 493 18381 2 . ALA 494 494 18381 2 . SER 495 495 18381 2 . ILE 496 496 18381 2 . GLN 497 497 18381 2 . VAL 498 498 18381 2 . LYS 499 499 18381 2 . PRO 500 500 18381 2 . SER 501 501 18381 2 . TYR 502 502 18381 2 . GLY 503 503 18381 2 . LEU 504 504 18381 2 . THR 505 505 18381 2 . ASP 506 506 18381 2 . SER 507 507 18381 2 . GLU 508 508 18381 2 . ILE 509 509 18381 2 . ALA 510 510 18381 2 . SER 511 511 18381 2 . MET 512 512 18381 2 . ILE 513 513 18381 2 . LYS 514 514 18381 2 . ASP 515 515 18381 2 . SER 516 516 18381 2 . MET 517 517 18381 2 . SER 518 518 18381 2 . TYR 519 519 18381 2 . ALA 520 520 18381 2 . GLU 521 521 18381 2 . GLN 522 522 18381 2 . ASP 523 523 18381 2 . VAL 524 524 18381 2 . LYS 525 525 18381 2 . ALA 526 526 18381 2 . ARG 527 527 18381 2 . MET 528 528 18381 2 . LEU 529 529 18381 2 . ALA 530 530 18381 2 . GLU 531 531 18381 2 . GLN 532 532 18381 2 . LYS 533 533 18381 2 . VAL 534 534 18381 2 . GLU 535 535 18381 2 . ALA 536 536 18381 2 . ALA 537 537 18381 2 . ARG 538 538 18381 2 . VAL 539 539 18381 2 . LEU 540 540 18381 2 . GLU 541 541 18381 2 . SER 542 542 18381 2 . LEU 543 543 18381 2 . HIS 544 544 18381 2 . GLY 545 545 18381 2 . ALA 546 546 18381 2 . LEU 547 547 18381 2 . ALA 548 548 18381 2 . ALA 549 549 18381 2 . ASP 550 550 18381 2 . ALA 551 551 18381 2 . ALA 552 552 18381 2 . LEU 553 553 18381 2 . LEU 554 554 18381 2 . SER 555 555 18381 2 . ALA 556 556 18381 2 . ALA 557 557 18381 2 . GLU 558 558 18381 2 . ARG 559 559 18381 2 . GLN 560 560 18381 2 . VAL 561 561 18381 2 . ILE 562 562 18381 2 . ASP 563 563 18381 2 . ASP 564 564 18381 2 . ALA 565 565 18381 2 . ALA 566 566 18381 2 . ALA 567 567 18381 2 . HIS 568 568 18381 2 . LEU 569 569 18381 2 . SER 570 570 18381 2 . GLU 571 571 18381 2 . VAL 572 572 18381 2 . ALA 573 573 18381 2 . GLN 574 574 18381 2 . GLY 575 575 18381 2 . ASP 576 576 18381 2 . ASP 577 577 18381 2 . VAL 578 578 18381 2 . ASP 579 579 18381 2 . ALA 580 580 18381 2 . ILE 581 581 18381 2 . GLU 582 582 18381 2 . LYS 583 583 18381 2 . ALA 584 584 18381 2 . ILE 585 585 18381 2 . LYS 586 586 18381 2 . ASN 587 587 18381 2 . VAL 588 588 18381 2 . ASP 589 589 18381 2 . LYS 590 590 18381 2 . GLN 591 591 18381 2 . THR 592 592 18381 2 . GLN 593 593 18381 2 . ASP 594 594 18381 2 . PHE 595 595 18381 2 . ALA 596 596 18381 2 . ALA 597 597 18381 2 . ARG 598 598 18381 2 . ARG 599 599 18381 2 . MET 600 600 18381 2 . ASP 601 601 18381 2 . GLN 602 602 18381 2 . SER 603 603 18381 2 . VAL 604 604 18381 2 . ARG 605 605 18381 2 . ARG 606 606 18381 2 . ALA 607 607 18381 2 . LEU 608 608 18381 2 . LYS 609 609 18381 2 . GLY 610 610 18381 2 . HIS 611 611 18381 2 . SER 612 612 18381 2 . VAL 613 613 18381 2 . ASP 614 614 18381 2 . GLU 615 615 18381 2 . VAL 616 616 18381 2 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 18381 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IscU . 562 organism . 'Escherichia coli' 'E. Coli' . . Bacteria . Escherichia coli K-12 . . . . . . . . . . iscu . 18381 1 2 2 $HscA . 562 organism . 'Escherichia coli' 'E. Coli' . . Bacteria . Escherichia coli K-12 . . . . . . . . . . hsca . 18381 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 18381 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IscU . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pTrc99a . . . 18381 1 2 2 $HscA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pTrc99a . . . 18381 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18381 _Sample.ID 1 _Sample.Name . _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 IscU '[U-13C; U-15N]' . . 1 $IscU . . . 1.0 1.5 mM . . . . 18381 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 18381 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18381 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 18381 1 5 HscA 'natural abundance' . . 2 $HscA . . . 2.0 3.0 mM . . . . 18381 1 6 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 18381 1 7 D2O '[U-99% 2H]' . . . . . . 7 . . % . . . . 18381 1 8 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18381 1 9 D2O '[U-99% 2H]' . . . . . . 7 . . % . . . . 18381 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 18381 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0 . M 18381 1 pH 7.5 . pH 18381 1 pressure 1 . atm 18381 1 temperature 298 . K 18381 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18381 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18381 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18381 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18381 _Software.ID 2 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18381 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18381 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18381 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18381 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18381 3 . 'data analysis' 18381 3 . 'peak picking' 18381 3 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 18381 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 18381 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18381 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 VNMRS . 600 'Equipped with a cryoprobe' . . 18381 1 2 spectrometer_2 Varian VNMRS . 900 'Equipped with a cryoprobe' . . 18381 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 18381 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18381 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18381 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18381 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18381 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18381 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 18381 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18381 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18381 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18381 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 18381 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' . . . 18381 1 2 '3D CBCA(CO)NH' . . . 18381 1 3 '3D HNCO' . . . 18381 1 4 '3D HNCACB' . . . 18381 1 5 '3D HN(CO)CA' . . . 18381 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.Ambiguity_set_ID _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 4 4 SER C C 13 173.771 0.2 . 1 . . . . . 4 SER C . 18381 1 2 . 1 1 4 4 SER CA C 13 57.851 0.2 . 1 . . . . . 4 SER CA . 18381 1 3 . 1 1 4 4 SER CB C 13 64.174 0.2 . 1 . . . . . 4 SER CB . 18381 1 4 . 1 1 5 5 GLU H H 1 8.357 0.02 . 1 . . . . . 5 GLU H . 18381 1 5 . 1 1 5 5 GLU C C 13 176.109 0.2 . 1 . . . . . 5 GLU C . 18381 1 6 . 1 1 5 5 GLU CA C 13 56.512 0.2 . 1 . . . . . 5 GLU CA . 18381 1 7 . 1 1 5 5 GLU CB C 13 30.413 0.2 . 1 . . . . . 5 GLU CB . 18381 1 8 . 1 1 5 5 GLU N N 15 123.111 0.2 . 1 . . . . . 5 GLU N . 18381 1 9 . 1 1 6 6 LYS H H 1 8.241 0.02 . 1 . . . . . 6 LYS H . 18381 1 10 . 1 1 6 6 LYS C C 13 176.181 0.2 . 1 . . . . . 6 LYS C . 18381 1 11 . 1 1 6 6 LYS CA C 13 56.333 0.2 . 1 . . . . . 6 LYS CA . 18381 1 12 . 1 1 6 6 LYS CB C 13 33.078 0.2 . 1 . . . . . 6 LYS CB . 18381 1 13 . 1 1 6 6 LYS N N 15 122.263 0.2 . 1 . . . . . 6 LYS N . 18381 1 14 . 1 1 7 7 VAL H H 1 8.183 0.02 . 1 . . . . . 7 VAL H . 18381 1 15 . 1 1 7 7 VAL C C 13 175.957 0.2 . 1 . . . . . 7 VAL C . 18381 1 16 . 1 1 7 7 VAL CA C 13 62.331 0.2 . 1 . . . . . 7 VAL CA . 18381 1 17 . 1 1 7 7 VAL CB C 13 32.684 0.2 . 1 . . . . . 7 VAL CB . 18381 1 18 . 1 1 7 7 VAL N N 15 123.03 0.2 . 1 . . . . . 7 VAL N . 18381 1 19 . 1 1 8 8 ILE H H 1 8.204 0.02 . 1 . . . . . 8 ILE H . 18381 1 20 . 1 1 8 8 ILE C C 13 175.511 0.2 . 1 . . . . . 8 ILE C . 18381 1 21 . 1 1 8 8 ILE CA C 13 60.851 0.2 . 1 . . . . . 8 ILE CA . 18381 1 22 . 1 1 8 8 ILE CB C 13 38.718 0.2 . 1 . . . . . 8 ILE CB . 18381 1 23 . 1 1 8 8 ILE N N 15 125.056 0.2 . 1 . . . . . 8 ILE N . 18381 1 24 . 1 1 9 9 ASP H H 1 8.269 0.02 . 1 . . . . . 9 ASP H . 18381 1 25 . 1 1 9 9 ASP C C 13 175.679 0.2 . 1 . . . . . 9 ASP C . 18381 1 26 . 1 1 9 9 ASP CA C 13 54.257 0.2 . 1 . . . . . 9 ASP CA . 18381 1 27 . 1 1 9 9 ASP CB C 13 41.404 0.2 . 1 . . . . . 9 ASP CB . 18381 1 28 . 1 1 9 9 ASP N N 15 124.444 0.2 . 1 . . . . . 9 ASP N . 18381 1 29 . 1 1 10 10 HIS H H 1 8.124 0.02 . 1 . . . . . 10 HIS H . 18381 1 30 . 1 1 10 10 HIS C C 13 174.773 0.2 . 1 . . . . . 10 HIS C . 18381 1 31 . 1 1 10 10 HIS CA C 13 56.485 0.2 . 1 . . . . . 10 HIS CA . 18381 1 32 . 1 1 10 10 HIS CB C 13 30.725 0.2 . 1 . . . . . 10 HIS CB . 18381 1 33 . 1 1 10 10 HIS N N 15 119.93 0.2 . 1 . . . . . 10 HIS N . 18381 1 34 . 1 1 11 11 TYR H H 1 8.1 0.02 . 1 . . . . . 11 TYR H . 18381 1 35 . 1 1 11 11 TYR C C 13 175.357 0.2 . 1 . . . . . 11 TYR C . 18381 1 36 . 1 1 11 11 TYR CA C 13 57.959 0.2 . 1 . . . . . 11 TYR CA . 18381 1 37 . 1 1 11 11 TYR CB C 13 38.752 0.2 . 1 . . . . . 11 TYR CB . 18381 1 38 . 1 1 11 11 TYR N N 15 121.649 0.2 . 1 . . . . . 11 TYR N . 18381 1 39 . 1 1 12 12 GLU H H 1 8.149 0.02 . 1 . . . . . 12 GLU H . 18381 1 40 . 1 1 12 12 GLU C C 13 175.38 0.2 . 1 . . . . . 12 GLU C . 18381 1 41 . 1 1 12 12 GLU CA C 13 56.094 0.2 . 1 . . . . . 12 GLU CA . 18381 1 42 . 1 1 12 12 GLU CB C 13 30.599 0.2 . 1 . . . . . 12 GLU CB . 18381 1 43 . 1 1 12 12 GLU N N 15 122.646 0.2 . 1 . . . . . 12 GLU N . 18381 1 44 . 1 1 13 13 ASN H H 1 8.34 0.02 . 1 . . . . . 13 ASN H . 18381 1 45 . 1 1 13 13 ASN CA C 13 51.426 0.2 . 1 . . . . . 13 ASN CA . 18381 1 46 . 1 1 13 13 ASN CB C 13 38.824 0.2 . 1 . . . . . 13 ASN CB . 18381 1 47 . 1 1 13 13 ASN N N 15 120.922 0.2 . 1 . . . . . 13 ASN N . 18381 1 48 . 1 1 14 14 PRO C C 13 176.933 0.2 . 1 . . . . . 14 PRO C . 18381 1 49 . 1 1 14 14 PRO CA C 13 63.477 0.2 . 1 . . . . . 14 PRO CA . 18381 1 50 . 1 1 14 14 PRO CB C 13 32.062 0.2 . 1 . . . . . 14 PRO CB . 18381 1 51 . 1 1 15 15 ARG H H 1 8.318 0.02 . 1 . . . . . 15 ARG H . 18381 1 52 . 1 1 15 15 ARG C C 13 176.087 0.2 . 1 . . . . . 15 ARG C . 18381 1 53 . 1 1 15 15 ARG CA C 13 56.117 0.2 . 1 . . . . . 15 ARG CA . 18381 1 54 . 1 1 15 15 ARG CB C 13 30.664 0.2 . 1 . . . . . 15 ARG CB . 18381 1 55 . 1 1 15 15 ARG N N 15 120.124 0.2 . 1 . . . . . 15 ARG N . 18381 1 56 . 1 1 16 16 ASN H H 1 8.334 0.02 . 1 . . . . . 16 ASN H . 18381 1 57 . 1 1 16 16 ASN N N 15 119.518 0.2 . 1 . . . . . 16 ASN N . 18381 1 58 . 1 1 17 17 VAL C C 13 176.495 0.2 . 1 . . . . . 17 VAL C . 18381 1 59 . 1 1 17 17 VAL CA C 13 62.622 0.2 . 1 . . . . . 17 VAL CA . 18381 1 60 . 1 1 17 17 VAL CB C 13 32.54 0.2 . 1 . . . . . 17 VAL CB . 18381 1 61 . 1 1 18 18 GLY H H 1 8.425 0.02 . 1 . . . . . 18 GLY H . 18381 1 62 . 1 1 18 18 GLY C C 13 173.858 0.2 . 1 . . . . . 18 GLY C . 18381 1 63 . 1 1 18 18 GLY CA C 13 45.231 0.2 . 1 . . . . . 18 GLY CA . 18381 1 64 . 1 1 18 18 GLY N N 15 112.053 0.2 . 1 . . . . . 18 GLY N . 18381 1 65 . 1 1 19 19 SER H H 1 8.017 0.02 . 1 . . . . . 19 SER H . 18381 1 66 . 1 1 19 19 SER C C 13 174.166 0.2 . 1 . . . . . 19 SER C . 18381 1 67 . 1 1 19 19 SER CA C 13 58.136 0.2 . 1 . . . . . 19 SER CA . 18381 1 68 . 1 1 19 19 SER CB C 13 63.915 0.2 . 1 . . . . . 19 SER CB . 18381 1 69 . 1 1 19 19 SER N N 15 115.404 0.2 . 1 . . . . . 19 SER N . 18381 1 70 . 1 1 20 20 PHE H H 1 8.285 0.02 . 1 . . . . . 20 PHE H . 18381 1 71 . 1 1 20 20 PHE C C 13 175.282 0.2 . 1 . . . . . 20 PHE C . 18381 1 72 . 1 1 20 20 PHE CA C 13 57.632 0.2 . 1 . . . . . 20 PHE CA . 18381 1 73 . 1 1 20 20 PHE CB C 13 39.562 0.2 . 1 . . . . . 20 PHE CB . 18381 1 74 . 1 1 20 20 PHE N N 15 121.904 0.2 . 1 . . . . . 20 PHE N . 18381 1 75 . 1 1 21 21 ASP H H 1 8.26 0.02 . 1 . . . . . 21 ASP H . 18381 1 76 . 1 1 21 21 ASP C C 13 175.642 0.2 . 1 . . . . . 21 ASP C . 18381 1 77 . 1 1 21 21 ASP CA C 13 54.343 0.2 . 1 . . . . . 21 ASP CA . 18381 1 78 . 1 1 21 21 ASP CB C 13 41.231 0.2 . 1 . . . . . 21 ASP CB . 18381 1 79 . 1 1 21 21 ASP N N 15 121.496 0.2 . 1 . . . . . 21 ASP N . 18381 1 80 . 1 1 22 22 ASN H H 1 8.284 0.02 . 1 . . . . . 22 ASN H . 18381 1 81 . 1 1 22 22 ASN C C 13 174.969 0.2 . 1 . . . . . 22 ASN C . 18381 1 82 . 1 1 22 22 ASN CA C 13 53.436 0.2 . 1 . . . . . 22 ASN CA . 18381 1 83 . 1 1 22 22 ASN CB C 13 38.918 0.2 . 1 . . . . . 22 ASN CB . 18381 1 84 . 1 1 22 22 ASN N N 15 119.078 0.2 . 1 . . . . . 22 ASN N . 18381 1 85 . 1 1 23 23 ASN H H 1 8.445 0.02 . 1 . . . . . 23 ASN H . 18381 1 86 . 1 1 23 23 ASN C C 13 175.013 0.2 . 1 . . . . . 23 ASN C . 18381 1 87 . 1 1 23 23 ASN CA C 13 53.644 0.2 . 1 . . . . . 23 ASN CA . 18381 1 88 . 1 1 23 23 ASN CB C 13 39.039 0.2 . 1 . . . . . 23 ASN CB . 18381 1 89 . 1 1 23 23 ASN N N 15 119.288 0.2 . 1 . . . . . 23 ASN N . 18381 1 90 . 1 1 24 24 ASP H H 1 8.277 0.02 . 1 . . . . . 24 ASP H . 18381 1 91 . 1 1 24 24 ASP C C 13 176.489 0.2 . 1 . . . . . 24 ASP C . 18381 1 92 . 1 1 24 24 ASP CA C 13 54.801 0.2 . 1 . . . . . 24 ASP CA . 18381 1 93 . 1 1 24 24 ASP CB C 13 41.09 0.2 . 1 . . . . . 24 ASP CB . 18381 1 94 . 1 1 24 24 ASP N N 15 120.749 0.2 . 1 . . . . . 24 ASP N . 18381 1 95 . 1 1 25 25 GLU H H 1 8.36 0.02 . 1 . . . . . 25 GLU H . 18381 1 96 . 1 1 25 25 GLU C C 13 176.447 0.2 . 1 . . . . . 25 GLU C . 18381 1 97 . 1 1 25 25 GLU CA C 13 57.058 0.2 . 1 . . . . . 25 GLU CA . 18381 1 98 . 1 1 25 25 GLU CB C 13 30.09 0.2 . 1 . . . . . 25 GLU CB . 18381 1 99 . 1 1 25 25 GLU N N 15 120.923 0.2 . 1 . . . . . 25 GLU N . 18381 1 100 . 1 1 26 26 ASN H H 1 8.433 0.02 . 1 . . . . . 26 ASN H . 18381 1 101 . 1 1 26 26 ASN C C 13 175.385 0.2 . 1 . . . . . 26 ASN C . 18381 1 102 . 1 1 26 26 ASN CA C 13 53.524 0.2 . 1 . . . . . 26 ASN CA . 18381 1 103 . 1 1 26 26 ASN CB C 13 38.872 0.2 . 1 . . . . . 26 ASN CB . 18381 1 104 . 1 1 26 26 ASN N N 15 119.223 0.2 . 1 . . . . . 26 ASN N . 18381 1 105 . 1 1 27 27 VAL H H 1 7.987 0.02 . 1 . . . . . 27 VAL H . 18381 1 106 . 1 1 27 27 VAL C C 13 176.824 0.2 . 1 . . . . . 27 VAL C . 18381 1 107 . 1 1 27 27 VAL CA C 13 62.72 0.2 . 1 . . . . . 27 VAL CA . 18381 1 108 . 1 1 27 27 VAL CB C 13 32.497 0.2 . 1 . . . . . 27 VAL CB . 18381 1 109 . 1 1 27 27 VAL N N 15 119.954 0.2 . 1 . . . . . 27 VAL N . 18381 1 110 . 1 1 28 28 GLY H H 1 8.431 0.02 . 1 . . . . . 28 GLY H . 18381 1 111 . 1 1 28 28 GLY C C 13 174.43 0.2 . 1 . . . . . 28 GLY C . 18381 1 112 . 1 1 28 28 GLY CA C 13 45.419 0.2 . 1 . . . . . 28 GLY CA . 18381 1 113 . 1 1 28 28 GLY N N 15 111.932 0.2 . 1 . . . . . 28 GLY N . 18381 1 114 . 1 1 29 29 SER H H 1 8.226 0.02 . 1 . . . . . 29 SER H . 18381 1 115 . 1 1 29 29 SER C C 13 175.234 0.2 . 1 . . . . . 29 SER C . 18381 1 116 . 1 1 29 29 SER CA C 13 58.751 0.2 . 1 . . . . . 29 SER CA . 18381 1 117 . 1 1 29 29 SER CB C 13 63.86 0.2 . 1 . . . . . 29 SER CB . 18381 1 118 . 1 1 29 29 SER N N 15 115.789 0.2 . 1 . . . . . 29 SER N . 18381 1 119 . 1 1 30 30 GLY H H 1 8.461 0.02 . 1 . . . . . 30 GLY H . 18381 1 120 . 1 1 30 30 GLY C C 13 174.04 0.2 . 1 . . . . . 30 GLY C . 18381 1 121 . 1 1 30 30 GLY CA C 13 45.422 0.2 . 1 . . . . . 30 GLY CA . 18381 1 122 . 1 1 30 30 GLY N N 15 110.714 0.2 . 1 . . . . . 30 GLY N . 18381 1 123 . 1 1 31 31 MET H H 1 8.127 0.02 . 1 . . . . . 31 MET H . 18381 1 124 . 1 1 31 31 MET C C 13 176.202 0.2 . 1 . . . . . 31 MET C . 18381 1 125 . 1 1 31 31 MET CA C 13 55.482 0.2 . 1 . . . . . 31 MET CA . 18381 1 126 . 1 1 31 31 MET CB C 13 32.932 0.2 . 1 . . . . . 31 MET CB . 18381 1 127 . 1 1 31 31 MET N N 15 119.95 0.2 . 1 . . . . . 31 MET N . 18381 1 128 . 1 1 32 32 VAL H H 1 8.164 0.02 . 1 . . . . . 32 VAL H . 18381 1 129 . 1 1 32 32 VAL C C 13 176.528 0.2 . 1 . . . . . 32 VAL C . 18381 1 130 . 1 1 32 32 VAL CA C 13 62.544 0.2 . 1 . . . . . 32 VAL CA . 18381 1 131 . 1 1 32 32 VAL CB C 13 32.639 0.2 . 1 . . . . . 32 VAL CB . 18381 1 132 . 1 1 32 32 VAL N N 15 121.823 0.2 . 1 . . . . . 32 VAL N . 18381 1 133 . 1 1 33 33 GLY H H 1 8.449 0.02 . 1 . . . . . 33 GLY H . 18381 1 134 . 1 1 33 33 GLY C C 13 173.255 0.2 . 1 . . . . . 33 GLY C . 18381 1 135 . 1 1 33 33 GLY CA C 13 44.934 0.2 . 1 . . . . . 33 GLY CA . 18381 1 136 . 1 1 33 33 GLY N N 15 112.866 0.2 . 1 . . . . . 33 GLY N . 18381 1 137 . 1 1 34 34 ALA H H 1 8.069 0.02 . 1 . . . . . 34 ALA H . 18381 1 138 . 1 1 34 34 ALA CA C 13 50.482 0.2 . 1 . . . . . 34 ALA CA . 18381 1 139 . 1 1 34 34 ALA CB C 13 18.296 0.2 . 1 . . . . . 34 ALA CB . 18381 1 140 . 1 1 34 34 ALA N N 15 124.801 0.2 . 1 . . . . . 34 ALA N . 18381 1 141 . 1 1 35 35 PRO C C 13 176.742 0.2 . 1 . . . . . 35 PRO C . 18381 1 142 . 1 1 35 35 PRO CA C 13 63.004 0.2 . 1 . . . . . 35 PRO CA . 18381 1 143 . 1 1 35 35 PRO CB C 13 32.004 0.2 . 1 . . . . . 35 PRO CB . 18381 1 144 . 1 1 36 36 ALA H H 1 8.452 0.02 . 1 . . . . . 36 ALA H . 18381 1 145 . 1 1 36 36 ALA C C 13 177.761 0.2 . 1 . . . . . 36 ALA C . 18381 1 146 . 1 1 36 36 ALA CA C 13 52.477 0.2 . 1 . . . . . 36 ALA CA . 18381 1 147 . 1 1 36 36 ALA CB C 13 19.16 0.2 . 1 . . . . . 36 ALA CB . 18381 1 148 . 1 1 36 36 ALA N N 15 124.487 0.2 . 1 . . . . . 36 ALA N . 18381 1 149 . 1 1 37 37 CYS H H 1 8.33 0.02 . 1 . . . . . 37 CYS H . 18381 1 150 . 1 1 37 37 CYS CA C 13 58.637 0.2 . 1 . . . . . 37 CYS CA . 18381 1 151 . 1 1 37 37 CYS CB C 13 28.278 0.2 . 1 . . . . . 37 CYS CB . 18381 1 152 . 1 1 37 37 CYS N N 15 118.385 0.2 . 1 . . . . . 37 CYS N . 18381 1 153 . 1 1 38 38 GLY C C 13 173.751 0.2 . 1 . . . . . 38 GLY C . 18381 1 154 . 1 1 38 38 GLY CA C 13 45.341 0.2 . 1 . . . . . 38 GLY CA . 18381 1 155 . 1 1 39 39 ASP H H 1 8.2 0.02 . 1 . . . . . 39 ASP H . 18381 1 156 . 1 1 39 39 ASP C C 13 176.69 0.2 . 1 . . . . . 39 ASP C . 18381 1 157 . 1 1 39 39 ASP CA C 13 54.541 0.2 . 1 . . . . . 39 ASP CA . 18381 1 158 . 1 1 39 39 ASP CB C 13 41.162 0.2 . 1 . . . . . 39 ASP CB . 18381 1 159 . 1 1 39 39 ASP N N 15 120.786 0.2 . 1 . . . . . 39 ASP N . 18381 1 160 . 1 1 40 40 VAL H H 1 8.061 0.02 . 1 . . . . . 40 VAL H . 18381 1 161 . 1 1 40 40 VAL C C 13 176.568 0.2 . 1 . . . . . 40 VAL C . 18381 1 162 . 1 1 40 40 VAL CA C 13 62.853 0.2 . 1 . . . . . 40 VAL CA . 18381 1 163 . 1 1 40 40 VAL CB C 13 32.49 0.2 . 1 . . . . . 40 VAL CB . 18381 1 164 . 1 1 40 40 VAL N N 15 120.133 0.2 . 1 . . . . . 40 VAL N . 18381 1 165 . 1 1 41 41 MET H H 1 8.327 0.02 . 1 . . . . . 41 MET H . 18381 1 166 . 1 1 41 41 MET C C 13 176.462 0.2 . 1 . . . . . 41 MET C . 18381 1 167 . 1 1 41 41 MET CA C 13 56.097 0.2 . 1 . . . . . 41 MET CA . 18381 1 168 . 1 1 41 41 MET CB C 13 32.823 0.2 . 1 . . . . . 41 MET CB . 18381 1 169 . 1 1 41 41 MET N N 15 122.459 0.2 . 1 . . . . . 41 MET N . 18381 1 170 . 1 1 42 42 LYS H H 1 8.096 0.02 . 1 . . . . . 42 LYS H . 18381 1 171 . 1 1 42 42 LYS C C 13 176.383 0.2 . 1 . . . . . 42 LYS C . 18381 1 172 . 1 1 42 42 LYS CA C 13 56.449 0.2 . 1 . . . . . 42 LYS CA . 18381 1 173 . 1 1 42 42 LYS CB C 13 32.902 0.2 . 1 . . . . . 42 LYS CB . 18381 1 174 . 1 1 42 42 LYS N N 15 121.893 0.2 . 1 . . . . . 42 LYS N . 18381 1 175 . 1 1 43 43 LEU H H 1 8.059 0.02 . 1 . . . . . 43 LEU H . 18381 1 176 . 1 1 43 43 LEU C C 13 177.091 0.2 . 1 . . . . . 43 LEU C . 18381 1 177 . 1 1 43 43 LEU CA C 13 55.24 0.2 . 1 . . . . . 43 LEU CA . 18381 1 178 . 1 1 43 43 LEU CB C 13 42.389 0.2 . 1 . . . . . 43 LEU CB . 18381 1 179 . 1 1 43 43 LEU N N 15 122.532 0.2 . 1 . . . . . 43 LEU N . 18381 1 180 . 1 1 44 44 GLN H H 1 8.285 0.02 . 1 . . . . . 44 GLN H . 18381 1 181 . 1 1 44 44 GLN C C 13 175.536 0.2 . 1 . . . . . 44 GLN C . 18381 1 182 . 1 1 44 44 GLN CA C 13 55.56 0.2 . 1 . . . . . 44 GLN CA . 18381 1 183 . 1 1 44 44 GLN CB C 13 29.423 0.2 . 1 . . . . . 44 GLN CB . 18381 1 184 . 1 1 44 44 GLN N N 15 121.381 0.2 . 1 . . . . . 44 GLN N . 18381 1 185 . 1 1 45 45 ILE H H 1 8.075 0.02 . 1 . . . . . 45 ILE H . 18381 1 186 . 1 1 45 45 ILE C C 13 175.76 0.2 . 1 . . . . . 45 ILE C . 18381 1 187 . 1 1 45 45 ILE CA C 13 60.958 0.2 . 1 . . . . . 45 ILE CA . 18381 1 188 . 1 1 45 45 ILE CB C 13 38.828 0.2 . 1 . . . . . 45 ILE CB . 18381 1 189 . 1 1 45 45 ILE N N 15 122.549 0.2 . 1 . . . . . 45 ILE N . 18381 1 190 . 1 1 46 46 LYS H H 1 8.383 0.02 . 1 . . . . . 46 LYS H . 18381 1 191 . 1 1 46 46 LYS CA C 13 55.967 0.2 . 1 . . . . . 46 LYS CA . 18381 1 192 . 1 1 46 46 LYS CB C 13 33.257 0.2 . 1 . . . . . 46 LYS CB . 18381 1 193 . 1 1 46 46 LYS N N 15 126.254 0.2 . 1 . . . . . 46 LYS N . 18381 1 194 . 1 1 47 47 VAL C C 13 175.788 0.2 . 1 . . . . . 47 VAL C . 18381 1 195 . 1 1 47 47 VAL CA C 13 61.98 0.2 . 1 . . . . . 47 VAL CA . 18381 1 196 . 1 1 48 48 ASN H H 1 8.494 0.02 . 1 . . . . . 48 ASN H . 18381 1 197 . 1 1 48 48 ASN CA C 13 53.125 0.2 . 1 . . . . . 48 ASN CA . 18381 1 198 . 1 1 48 48 ASN CB C 13 38.95 0.2 . 1 . . . . . 48 ASN CB . 18381 1 199 . 1 1 48 48 ASN N N 15 122.312 0.2 . 1 . . . . . 48 ASN N . 18381 1 200 . 1 1 50 50 GLU C C 13 176.988 0.2 . 1 . . . . . 50 GLU C . 18381 1 201 . 1 1 50 50 GLU CA C 13 56.958 0.2 . 1 . . . . . 50 GLU CA . 18381 1 202 . 1 1 51 51 GLY H H 1 8.367 0.02 . 1 . . . . . 51 GLY H . 18381 1 203 . 1 1 51 51 GLY C C 13 173.925 0.2 . 1 . . . . . 51 GLY C . 18381 1 204 . 1 1 51 51 GLY CA C 13 45.444 0.2 . 1 . . . . . 51 GLY CA . 18381 1 205 . 1 1 51 51 GLY N N 15 109.16 0.2 . 1 . . . . . 51 GLY N . 18381 1 206 . 1 1 52 52 ILE H H 1 7.852 0.02 . 1 . . . . . 52 ILE H . 18381 1 207 . 1 1 52 52 ILE C C 13 176.198 0.2 . 1 . . . . . 52 ILE C . 18381 1 208 . 1 1 52 52 ILE CA C 13 60.965 0.2 . 1 . . . . . 52 ILE CA . 18381 1 209 . 1 1 52 52 ILE CB C 13 38.624 0.2 . 1 . . . . . 52 ILE CB . 18381 1 210 . 1 1 52 52 ILE N N 15 120.385 0.2 . 1 . . . . . 52 ILE N . 18381 1 211 . 1 1 53 53 ILE H H 1 8.222 0.02 . 1 . . . . . 53 ILE H . 18381 1 212 . 1 1 53 53 ILE C C 13 176.161 0.2 . 1 . . . . . 53 ILE C . 18381 1 213 . 1 1 53 53 ILE CA C 13 60.99 0.2 . 1 . . . . . 53 ILE CA . 18381 1 214 . 1 1 53 53 ILE CB C 13 38.513 0.2 . 1 . . . . . 53 ILE CB . 18381 1 215 . 1 1 53 53 ILE N N 15 125.728 0.2 . 1 . . . . . 53 ILE N . 18381 1 216 . 1 1 54 54 GLU H H 1 8.487 0.02 . 1 . . . . . 54 GLU H . 18381 1 217 . 1 1 54 54 GLU CA C 13 56.625 0.2 . 1 . . . . . 54 GLU CA . 18381 1 218 . 1 1 54 54 GLU CB C 13 30.481 0.2 . 1 . . . . . 54 GLU CB . 18381 1 219 . 1 1 54 54 GLU N N 15 125.92 0.2 . 1 . . . . . 54 GLU N . 18381 1 220 . 1 1 55 55 ASP C C 13 176.425 0.2 . 1 . . . . . 55 ASP C . 18381 1 221 . 1 1 55 55 ASP CA C 13 54.445 0.2 . 1 . . . . . 55 ASP CA . 18381 1 222 . 1 1 55 55 ASP CB C 13 41.501 0.2 . 1 . . . . . 55 ASP CB . 18381 1 223 . 1 1 56 56 ALA H H 1 8.372 0.02 . 1 . . . . . 56 ALA H . 18381 1 224 . 1 1 56 56 ALA C C 13 178.376 0.2 . 1 . . . . . 56 ALA C . 18381 1 225 . 1 1 56 56 ALA CA C 13 53.275 0.2 . 1 . . . . . 56 ALA CA . 18381 1 226 . 1 1 56 56 ALA CB C 13 18.901 0.2 . 1 . . . . . 56 ALA CB . 18381 1 227 . 1 1 56 56 ALA N N 15 125.648 0.2 . 1 . . . . . 56 ALA N . 18381 1 228 . 1 1 57 57 ARG H H 1 8.22 0.02 . 1 . . . . . 57 ARG H . 18381 1 229 . 1 1 57 57 ARG C C 13 176.753 0.2 . 1 . . . . . 57 ARG C . 18381 1 230 . 1 1 57 57 ARG CA C 13 57.195 0.2 . 1 . . . . . 57 ARG CA . 18381 1 231 . 1 1 57 57 ARG CB C 13 30.302 0.2 . 1 . . . . . 57 ARG CB . 18381 1 232 . 1 1 57 57 ARG N N 15 118.408 0.2 . 1 . . . . . 57 ARG N . 18381 1 233 . 1 1 58 58 PHE H H 1 7.908 0.02 . 1 . . . . . 58 PHE H . 18381 1 234 . 1 1 58 58 PHE C C 13 175.785 0.2 . 1 . . . . . 58 PHE C . 18381 1 235 . 1 1 58 58 PHE CA C 13 57.665 0.2 . 1 . . . . . 58 PHE CA . 18381 1 236 . 1 1 58 58 PHE CB C 13 39.237 0.2 . 1 . . . . . 58 PHE CB . 18381 1 237 . 1 1 58 58 PHE N N 15 118.615 0.2 . 1 . . . . . 58 PHE N . 18381 1 238 . 1 1 59 59 LYS H H 1 7.907 0.02 . 1 . . . . . 59 LYS H . 18381 1 239 . 1 1 59 59 LYS C C 13 176.387 0.2 . 1 . . . . . 59 LYS C . 18381 1 240 . 1 1 59 59 LYS CA C 13 56.579 0.2 . 1 . . . . . 59 LYS CA . 18381 1 241 . 1 1 59 59 LYS CB C 13 33.072 0.2 . 1 . . . . . 59 LYS CB . 18381 1 242 . 1 1 59 59 LYS N N 15 121.503 0.2 . 1 . . . . . 59 LYS N . 18381 1 243 . 1 1 60 60 THR H H 1 7.955 0.02 . 1 . . . . . 60 THR H . 18381 1 244 . 1 1 60 60 THR C C 13 174.168 0.2 . 1 . . . . . 60 THR C . 18381 1 245 . 1 1 60 60 THR CA C 13 61.916 0.2 . 1 . . . . . 60 THR CA . 18381 1 246 . 1 1 60 60 THR CB C 13 69.896 0.2 . 1 . . . . . 60 THR CB . 18381 1 247 . 1 1 60 60 THR N N 15 114.236 0.2 . 1 . . . . . 60 THR N . 18381 1 248 . 1 1 61 61 TYR H H 1 8.198 0.02 . 1 . . . . . 61 TYR H . 18381 1 249 . 1 1 61 61 TYR C C 13 176.327 0.2 . 1 . . . . . 61 TYR C . 18381 1 250 . 1 1 61 61 TYR N N 15 121.842 0.2 . 1 . . . . . 61 TYR N . 18381 1 251 . 1 1 62 62 GLY H H 1 8.307 0.02 . 1 . . . . . 62 GLY H . 18381 1 252 . 1 1 62 62 GLY N N 15 110.385 0.2 . 1 . . . . . 62 GLY N . 18381 1 253 . 1 1 71 71 SER C C 13 174.363 0.2 . 1 . . . . . 71 SER C . 18381 1 254 . 1 1 71 71 SER CA C 13 58.712 0.2 . 1 . . . . . 71 SER CA . 18381 1 255 . 1 1 71 71 SER CB C 13 63.76 0.2 . 1 . . . . . 71 SER CB . 18381 1 256 . 1 1 72 72 LEU H H 1 8.112 0.02 . 1 . . . . . 72 LEU H . 18381 1 257 . 1 1 72 72 LEU CA C 13 55.54 0.2 . 1 . . . . . 72 LEU CA . 18381 1 258 . 1 1 72 72 LEU CB C 13 42.314 0.2 . 1 . . . . . 72 LEU CB . 18381 1 259 . 1 1 72 72 LEU N N 15 123.672 0.2 . 1 . . . . . 72 LEU N . 18381 1 260 . 1 1 76 76 TRP HE1 H 1 10.171 0.02 . 1 . . . . . 76 TRP HE1 . 18381 1 261 . 1 1 76 76 TRP NE1 N 15 129.412 0.2 . 1 . . . . . 76 TRP NE1 . 18381 1 262 . 1 1 80 80 LYS C C 13 176.613 0.2 . 1 . . . . . 80 LYS C . 18381 1 263 . 1 1 80 80 LYS CA C 13 56.156 0.2 . 1 . . . . . 80 LYS CA . 18381 1 264 . 1 1 81 81 SER H H 1 8.374 0.02 . 1 . . . . . 81 SER H . 18381 1 265 . 1 1 81 81 SER C C 13 174.723 0.2 . 1 . . . . . 81 SER C . 18381 1 266 . 1 1 81 81 SER CA C 13 58.403 0.2 . 1 . . . . . 81 SER CA . 18381 1 267 . 1 1 81 81 SER CB C 13 63.819 0.2 . 1 . . . . . 81 SER CB . 18381 1 268 . 1 1 81 81 SER N N 15 117.419 0.2 . 1 . . . . . 81 SER N . 18381 1 269 . 1 1 82 82 LEU H H 1 8.36 0.02 . 1 . . . . . 82 LEU H . 18381 1 270 . 1 1 82 82 LEU C C 13 177.304 0.2 . 1 . . . . . 82 LEU C . 18381 1 271 . 1 1 82 82 LEU CA C 13 55.768 0.2 . 1 . . . . . 82 LEU CA . 18381 1 272 . 1 1 82 82 LEU CB C 13 42.122 0.2 . 1 . . . . . 82 LEU CB . 18381 1 273 . 1 1 82 82 LEU N N 15 124.169 0.2 . 1 . . . . . 82 LEU N . 18381 1 274 . 1 1 83 83 ASP H H 1 8.215 0.02 . 1 . . . . . 83 ASP H . 18381 1 275 . 1 1 83 83 ASP C C 13 176.718 0.2 . 1 . . . . . 83 ASP C . 18381 1 276 . 1 1 83 83 ASP CA C 13 54.742 0.2 . 1 . . . . . 83 ASP CA . 18381 1 277 . 1 1 83 83 ASP CB C 13 41.074 0.2 . 1 . . . . . 83 ASP CB . 18381 1 278 . 1 1 83 83 ASP N N 15 120.343 0.2 . 1 . . . . . 83 ASP N . 18381 1 279 . 1 1 84 84 GLU H H 1 8.23 0.02 . 1 . . . . . 84 GLU H . 18381 1 280 . 1 1 84 84 GLU C C 13 176.755 0.2 . 1 . . . . . 84 GLU C . 18381 1 281 . 1 1 84 84 GLU CA C 13 57.173 0.2 . 1 . . . . . 84 GLU CA . 18381 1 282 . 1 1 84 84 GLU CB C 13 30.18 0.2 . 1 . . . . . 84 GLU CB . 18381 1 283 . 1 1 84 84 GLU N N 15 121.475 0.2 . 1 . . . . . 84 GLU N . 18381 1 284 . 1 1 85 85 ALA H H 1 8.226 0.02 . 1 . . . . . 85 ALA H . 18381 1 285 . 1 1 85 85 ALA C C 13 178.14 0.2 . 1 . . . . . 85 ALA C . 18381 1 286 . 1 1 85 85 ALA CA C 13 53.099 0.2 . 1 . . . . . 85 ALA CA . 18381 1 287 . 1 1 85 85 ALA CB C 13 18.897 0.2 . 1 . . . . . 85 ALA CB . 18381 1 288 . 1 1 85 85 ALA N N 15 123.755 0.2 . 1 . . . . . 85 ALA N . 18381 1 289 . 1 1 86 86 GLN H H 1 8.104 0.02 . 1 . . . . . 86 GLN H . 18381 1 290 . 1 1 86 86 GLN C C 13 175.833 0.2 . 1 . . . . . 86 GLN C . 18381 1 291 . 1 1 86 86 GLN CA C 13 55.885 0.2 . 1 . . . . . 86 GLN CA . 18381 1 292 . 1 1 86 86 GLN CB C 13 29.355 0.2 . 1 . . . . . 86 GLN CB . 18381 1 293 . 1 1 86 86 GLN N N 15 118.232 0.2 . 1 . . . . . 86 GLN N . 18381 1 294 . 1 1 87 87 ALA H H 1 8.083 0.02 . 1 . . . . . 87 ALA H . 18381 1 295 . 1 1 87 87 ALA C C 13 177.711 0.2 . 1 . . . . . 87 ALA C . 18381 1 296 . 1 1 87 87 ALA CA C 13 52.711 0.2 . 1 . . . . . 87 ALA CA . 18381 1 297 . 1 1 87 87 ALA CB C 13 19.111 0.2 . 1 . . . . . 87 ALA CB . 18381 1 298 . 1 1 87 87 ALA N N 15 124.454 0.2 . 1 . . . . . 87 ALA N . 18381 1 299 . 1 1 88 88 ILE H H 1 7.999 0.02 . 1 . . . . . 88 ILE H . 18381 1 300 . 1 1 88 88 ILE C C 13 176.223 0.2 . 1 . . . . . 88 ILE C . 18381 1 301 . 1 1 88 88 ILE CA C 13 61.172 0.2 . 1 . . . . . 88 ILE CA . 18381 1 302 . 1 1 88 88 ILE CB C 13 38.632 0.2 . 1 . . . . . 88 ILE CB . 18381 1 303 . 1 1 88 88 ILE N N 15 119.979 0.2 . 1 . . . . . 88 ILE N . 18381 1 304 . 1 1 89 89 LYS H H 1 8.287 0.02 . 1 . . . . . 89 LYS H . 18381 1 305 . 1 1 89 89 LYS CA C 13 56.074 0.2 . 1 . . . . . 89 LYS CA . 18381 1 306 . 1 1 89 89 LYS CB C 13 33.195 0.2 . 1 . . . . . 89 LYS CB . 18381 1 307 . 1 1 89 89 LYS N N 15 125.439 0.2 . 1 . . . . . 89 LYS N . 18381 1 308 . 1 1 90 90 ASN C C 13 175.454 0.2 . 1 . . . . . 90 ASN C . 18381 1 309 . 1 1 90 90 ASN CA C 13 53.513 0.2 . 1 . . . . . 90 ASN CA . 18381 1 310 . 1 1 90 90 ASN CB C 13 38.869 0.2 . 1 . . . . . 90 ASN CB . 18381 1 311 . 1 1 91 91 THR H H 1 8.11 0.02 . 1 . . . . . 91 THR H . 18381 1 312 . 1 1 91 91 THR C C 13 174.21 0.2 . 1 . . . . . 91 THR C . 18381 1 313 . 1 1 91 91 THR CA C 13 61.901 0.2 . 1 . . . . . 91 THR CA . 18381 1 314 . 1 1 91 91 THR CB C 13 69.609 0.2 . 1 . . . . . 91 THR CB . 18381 1 315 . 1 1 91 91 THR N N 15 114.011 0.2 . 1 . . . . . 91 THR N . 18381 1 316 . 1 1 92 92 ASP H H 1 8.316 0.02 . 1 . . . . . 92 ASP H . 18381 1 317 . 1 1 92 92 ASP C C 13 176.018 0.2 . 1 . . . . . 92 ASP C . 18381 1 318 . 1 1 92 92 ASP CA C 13 54.669 0.2 . 1 . . . . . 92 ASP CA . 18381 1 319 . 1 1 92 92 ASP CB C 13 41.044 0.2 . 1 . . . . . 92 ASP CB . 18381 1 320 . 1 1 92 92 ASP N N 15 122.876 0.2 . 1 . . . . . 92 ASP N . 18381 1 321 . 1 1 93 93 ILE H H 1 7.943 0.02 . 1 . . . . . 93 ILE H . 18381 1 322 . 1 1 93 93 ILE C C 13 175.785 0.2 . 1 . . . . . 93 ILE C . 18381 1 323 . 1 1 93 93 ILE CA C 13 60.986 0.2 . 1 . . . . . 93 ILE CA . 18381 1 324 . 1 1 93 93 ILE CB C 13 38.773 0.2 . 1 . . . . . 93 ILE CB . 18381 1 325 . 1 1 93 93 ILE N N 15 120.749 0.2 . 1 . . . . . 93 ILE N . 18381 1 326 . 1 1 94 94 ALA H H 1 8.301 0.02 . 1 . . . . . 94 ALA H . 18381 1 327 . 1 1 94 94 ALA C C 13 177.506 0.2 . 1 . . . . . 94 ALA C . 18381 1 328 . 1 1 94 94 ALA CA C 13 52.445 0.2 . 1 . . . . . 94 ALA CA . 18381 1 329 . 1 1 94 94 ALA CB C 13 19.251 0.2 . 1 . . . . . 94 ALA CB . 18381 1 330 . 1 1 94 94 ALA N N 15 128.245 0.2 . 1 . . . . . 94 ALA N . 18381 1 331 . 1 1 95 95 GLU H H 1 8.259 0.02 . 1 . . . . . 95 GLU H . 18381 1 332 . 1 1 95 95 GLU CA C 13 56.476 0.2 . 1 . . . . . 95 GLU CA . 18381 1 333 . 1 1 95 95 GLU CB C 13 30.503 0.2 . 1 . . . . . 95 GLU CB . 18381 1 334 . 1 1 95 95 GLU N N 15 120.571 0.2 . 1 . . . . . 95 GLU N . 18381 1 335 . 1 1 110 110 ALA C C 13 178.088 0.2 . 1 . . . . . 110 ALA C . 18381 1 336 . 1 1 111 111 GLU H H 1 8.454 0.02 . 1 . . . . . 111 GLU H . 18381 1 337 . 1 1 111 111 GLU N N 15 119.784 0.2 . 1 . . . . . 111 GLU N . 18381 1 338 . 1 1 112 112 ASP C C 13 176.478 0.2 . 1 . . . . . 112 ASP C . 18381 1 339 . 1 1 112 112 ASP CA C 13 54.902 0.2 . 1 . . . . . 112 ASP CA . 18381 1 340 . 1 1 112 112 ASP CB C 13 40.827 0.2 . 1 . . . . . 112 ASP CB . 18381 1 341 . 1 1 113 113 ALA H H 1 7.991 0.02 . 1 . . . . . 113 ALA H . 18381 1 342 . 1 1 113 113 ALA C C 13 178.289 0.2 . 1 . . . . . 113 ALA C . 18381 1 343 . 1 1 113 113 ALA CA C 13 53.166 0.2 . 1 . . . . . 113 ALA CA . 18381 1 344 . 1 1 113 113 ALA CB C 13 19.085 0.2 . 1 . . . . . 113 ALA CB . 18381 1 345 . 1 1 113 113 ALA N N 15 123.745 0.2 . 1 . . . . . 113 ALA N . 18381 1 346 . 1 1 114 114 ILE H H 1 7.934 0.02 . 1 . . . . . 114 ILE H . 18381 1 347 . 1 1 114 114 ILE CA C 13 61.76 0.2 . 1 . . . . . 114 ILE CA . 18381 1 348 . 1 1 114 114 ILE CB C 13 38.236 0.2 . 1 . . . . . 114 ILE CB . 18381 1 349 . 1 1 114 114 ILE N N 15 119.432 0.2 . 1 . . . . . 114 ILE N . 18381 1 350 . 1 1 126 126 GLU C C 13 175.857 0.2 . 1 . . . . . 126 GLU C . 18381 1 351 . 1 1 126 126 GLU CA C 13 56.397 0.2 . 1 . . . . . 126 GLU CA . 18381 1 352 . 1 1 126 126 GLU CB C 13 30.344 0.2 . 1 . . . . . 126 GLU CB . 18381 1 353 . 1 1 127 127 ALA H H 1 8.163 0.02 . 1 . . . . . 127 ALA H . 18381 1 354 . 1 1 127 127 ALA C C 13 176.458 0.2 . 1 . . . . . 127 ALA C . 18381 1 355 . 1 1 127 127 ALA CA C 13 52.457 0.2 . 1 . . . . . 127 ALA CA . 18381 1 356 . 1 1 127 127 ALA CB C 13 19.159 0.2 . 1 . . . . . 127 ALA CB . 18381 1 357 . 1 1 127 127 ALA N N 15 125.66 0.2 . 1 . . . . . 127 ALA N . 18381 1 358 . 1 1 128 128 LYS H H 1 7.858 0.02 . 1 . . . . . 128 LYS H . 18381 1 359 . 1 1 128 128 LYS CA C 13 57.565 0.2 . 1 . . . . . 128 LYS CA . 18381 1 360 . 1 1 128 128 LYS CB C 13 33.793 0.2 . 1 . . . . . 128 LYS CB . 18381 1 361 . 1 1 128 128 LYS N N 15 126.159 0.2 . 1 . . . . . 128 LYS N . 18381 1 stop_ save_