data_25731 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25731 _Entry.Title ; Ensemble Solution structure of the phosphoenolpyruvate-Enzyme I complex from the bacterial hosphotransferase system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-28 _Entry.Accession_date 2015-07-28 _Entry.Last_release_date 2015-08-31 _Entry.Original_release_date 2015-08-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; Ensemble Solution structure of the phosphoenolpyruvate-Enzyme I complex from the bacterial hosphotransferase system as determined by NMR residual dipolar couplings and solution X-ray scattering. ; _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 Vincenzo Venditti . . . 25731 2 Charles Schwieters . D. . 25731 3 Alexander Grishaev . . . 25731 4 'G. Marius' Clore . . . 25731 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25731 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Multidomain protein' . 25731 'phosphotransferase system' . 25731 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25731 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 95 25731 '1H chemical shifts' 95 25731 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 . . 2015-08-31 . original BMRB . 25731 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N5T 'BMRB Entry Tracking System' 25731 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25731 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Dynamic equilibrium between closed and partially-closed states of the Enzyme I-phosphoenolpyruvate complex from the bacterial phosphotransferase system uncovered by NMR residual dipolar couplings and solution X-ray scattering ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Vincenzo Venditti . . . 25731 1 2 Charles Schwieters . D. . 25731 1 3 Alexander Grishaev . . . 25731 1 4 'G. Marius' Clore . . . 25731 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25731 _Assembly.ID 1 _Assembly.Name 'phosphoenolpyruvate-Enzyme I complex from the bacterial hosphotransferase system' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 entity_1 1 $entity A . yes native no no . . . 25731 1 2 entity_2 1 $entity B . yes native no no . . . 25731 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25731 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MISGILASPGIAFGKALLLK EDEIVIDRKKISADQVDQEV ERFLSGRAKASAQLETIKTK AGETFGEEKEAIFEGHIMLL EDEELEQEIIALIKDKHMTA DAAAHEVIEGQASALEELDD EYLKERAADVRDIGKRLLRN ILGLKIIDLSAIQDEVILVA ADLTPSETAQLNLKKVLGFI TDAGGRTSHTSIMARSLELP AIVGTGSVTSQVKNDDYLIL DAVNNQVYVNPTNEVIDKMR AVQEQVASEKAELAKLKDLP AITLDGHQVEVCANIGTVRD VEGAERNGAEGVGLYRTEFL FMDRDALPTEEEQFAAYKAV AEACGSQAVIVRTMDIGGDK ELPYMNFPKEENPFLGWRAI RIAMDRREILRDQLRAILRA SAFGKLRIMFPMIISVEEVR ALRKEIEIYKQELRDEGKAF DESIEIGVMVETPAAATIAR HLAKEVDFFSIGTNDLTQYT LAVDRGNDMISHLYQPMSPS VLNLIKQVIDASHAEGKWTG MCGELAGDERATLLLLGMGL DEFSMSAISIPRIKKIIRNT NFEDAKVLAEQALAQPTTDE LMTLVNKFIEEKT ; _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 573 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 63419.953 _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 BMRB 18392 . EIC . . . . . 54.62 316 99.68 100.00 0.00e+00 . . . . 25731 1 2 no PDB 2KX9 . "Solution Structure Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" . . . . . 100.00 573 100.00 100.00 0.00e+00 . . . . 25731 1 3 no PDB 2L5H . "Solution Structure Of The H189q Mutant Of The Enzyme I Dimer Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" . . . . . 100.00 573 99.83 99.83 0.00e+00 . . . . 25731 1 4 no PDB 2N5T . "Ensemble Solution Structure Of The Phosphoenolpyruvate-enzyme I Complex From The Bacterial Hosphotransferase System" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 5 no PDB 2XDF . "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" . . . . . 100.00 573 100.00 100.00 0.00e+00 . . . . 25731 1 6 no DBJ BAA16290 . "PEP-protein phosphotransferase of PTS system [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 7 no DBJ BAB36711 . "PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 8 no DBJ BAG78231 . "PTS system enzyme I [Escherichia coli SE11]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 9 no DBJ BAI26669 . "PEP-protein phosphotransferase PtsI [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 10 no DBJ BAI31701 . "PEP-protein phosphotransferase PtsI [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 11 no EMBL CAP76888 . "Phosphoenolpyruvate-protein phosphotransferase [Escherichia coli LF82]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 12 no EMBL CAQ32794 . "PTS enzyme I, subunit of EIIAsc, EIIBgl, EIIChb, CmtAB mannitol PTS permease, enzyme II [glc], fructose PTS transporter, EIIABC" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 13 no EMBL CAQ88296 . "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 575 98.60 99.65 0.00e+00 . . . . 25731 1 14 no EMBL CAQ99314 . "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli IAI1]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 15 no EMBL CAR03878 . "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli S88]" . . . . . 100.00 575 99.65 99.83 0.00e+00 . . . . 25731 1 16 no GB AAA24385 . "enzyme I [Escherichia coli]" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 17 no GB AAA24441 . "enzyme I [Escherichia coli]" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 18 no GB AAA27060 . "enzyme I [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 575 97.21 99.48 0.00e+00 . . . . 25731 1 19 no GB AAC75469 . "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 20 no GB AAG57535 . "PEP-protein phosphotransferase system enzyme I [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 21 no REF NP_311315 . "phosphoenolpyruvate-protein phosphotransferase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 22 no REF NP_416911 . "PEP-protein phosphotransferase of PTS system (enzyme I) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 23 no REF NP_461367 . "phosphoenolpyruvate-protein phosphotransferase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 575 97.21 99.48 0.00e+00 . . . . 25731 1 24 no REF NP_708271 . "phosphoenolpyruvate-protein phosphotransferase [Shigella flexneri 2a str. 301]" . . . . . 100.00 575 99.83 100.00 0.00e+00 . . . . 25731 1 25 no REF WP_000112669 . "phosphoenolpyruvate--protein phosphotransferase, partial [Escherichia coli]" . . . . . 93.72 539 99.81 100.00 0.00e+00 . . . . 25731 1 26 no SP P08839 . "RecName: Full=Phosphoenolpyruvate-protein phosphotransferase; AltName: Full=Phosphotransferase system, enzyme I" . . . . . 100.00 575 100.00 100.00 0.00e+00 . . . . 25731 1 27 no SP P0A249 . "RecName: Full=Phosphoenolpyruvate-protein phosphotransferase; AltName: Full=Phosphotransferase system, enzyme I" . . . . . 100.00 575 97.21 99.48 0.00e+00 . . . . 25731 1 28 no SP P0A250 . "RecName: Full=Phosphoenolpyruvate-protein phosphotransferase; AltName: Full=Phosphotransferase system, enzyme I" . . . . . 100.00 575 97.21 99.48 0.00e+00 . . . . 25731 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 1 MET . 25731 1 2 2 ILE . 25731 1 3 3 SER . 25731 1 4 4 GLY . 25731 1 5 5 ILE . 25731 1 6 6 LEU . 25731 1 7 7 ALA . 25731 1 8 8 SER . 25731 1 9 9 PRO . 25731 1 10 10 GLY . 25731 1 11 11 ILE . 25731 1 12 12 ALA . 25731 1 13 13 PHE . 25731 1 14 14 GLY . 25731 1 15 15 LYS . 25731 1 16 16 ALA . 25731 1 17 17 LEU . 25731 1 18 18 LEU . 25731 1 19 19 LEU . 25731 1 20 20 LYS . 25731 1 21 21 GLU . 25731 1 22 22 ASP . 25731 1 23 23 GLU . 25731 1 24 24 ILE . 25731 1 25 25 VAL . 25731 1 26 26 ILE . 25731 1 27 27 ASP . 25731 1 28 28 ARG . 25731 1 29 29 LYS . 25731 1 30 30 LYS . 25731 1 31 31 ILE . 25731 1 32 32 SER . 25731 1 33 33 ALA . 25731 1 34 34 ASP . 25731 1 35 35 GLN . 25731 1 36 36 VAL . 25731 1 37 37 ASP . 25731 1 38 38 GLN . 25731 1 39 39 GLU . 25731 1 40 40 VAL . 25731 1 41 41 GLU . 25731 1 42 42 ARG . 25731 1 43 43 PHE . 25731 1 44 44 LEU . 25731 1 45 45 SER . 25731 1 46 46 GLY . 25731 1 47 47 ARG . 25731 1 48 48 ALA . 25731 1 49 49 LYS . 25731 1 50 50 ALA . 25731 1 51 51 SER . 25731 1 52 52 ALA . 25731 1 53 53 GLN . 25731 1 54 54 LEU . 25731 1 55 55 GLU . 25731 1 56 56 THR . 25731 1 57 57 ILE . 25731 1 58 58 LYS . 25731 1 59 59 THR . 25731 1 60 60 LYS . 25731 1 61 61 ALA . 25731 1 62 62 GLY . 25731 1 63 63 GLU . 25731 1 64 64 THR . 25731 1 65 65 PHE . 25731 1 66 66 GLY . 25731 1 67 67 GLU . 25731 1 68 68 GLU . 25731 1 69 69 LYS . 25731 1 70 70 GLU . 25731 1 71 71 ALA . 25731 1 72 72 ILE . 25731 1 73 73 PHE . 25731 1 74 74 GLU . 25731 1 75 75 GLY . 25731 1 76 76 HIS . 25731 1 77 77 ILE . 25731 1 78 78 MET . 25731 1 79 79 LEU . 25731 1 80 80 LEU . 25731 1 81 81 GLU . 25731 1 82 82 ASP . 25731 1 83 83 GLU . 25731 1 84 84 GLU . 25731 1 85 85 LEU . 25731 1 86 86 GLU . 25731 1 87 87 GLN . 25731 1 88 88 GLU . 25731 1 89 89 ILE . 25731 1 90 90 ILE . 25731 1 91 91 ALA . 25731 1 92 92 LEU . 25731 1 93 93 ILE . 25731 1 94 94 LYS . 25731 1 95 95 ASP . 25731 1 96 96 LYS . 25731 1 97 97 HIS . 25731 1 98 98 MET . 25731 1 99 99 THR . 25731 1 100 100 ALA . 25731 1 101 101 ASP . 25731 1 102 102 ALA . 25731 1 103 103 ALA . 25731 1 104 104 ALA . 25731 1 105 105 HIS . 25731 1 106 106 GLU . 25731 1 107 107 VAL . 25731 1 108 108 ILE . 25731 1 109 109 GLU . 25731 1 110 110 GLY . 25731 1 111 111 GLN . 25731 1 112 112 ALA . 25731 1 113 113 SER . 25731 1 114 114 ALA . 25731 1 115 115 LEU . 25731 1 116 116 GLU . 25731 1 117 117 GLU . 25731 1 118 118 LEU . 25731 1 119 119 ASP . 25731 1 120 120 ASP . 25731 1 121 121 GLU . 25731 1 122 122 TYR . 25731 1 123 123 LEU . 25731 1 124 124 LYS . 25731 1 125 125 GLU . 25731 1 126 126 ARG . 25731 1 127 127 ALA . 25731 1 128 128 ALA . 25731 1 129 129 ASP . 25731 1 130 130 VAL . 25731 1 131 131 ARG . 25731 1 132 132 ASP . 25731 1 133 133 ILE . 25731 1 134 134 GLY . 25731 1 135 135 LYS . 25731 1 136 136 ARG . 25731 1 137 137 LEU . 25731 1 138 138 LEU . 25731 1 139 139 ARG . 25731 1 140 140 ASN . 25731 1 141 141 ILE . 25731 1 142 142 LEU . 25731 1 143 143 GLY . 25731 1 144 144 LEU . 25731 1 145 145 LYS . 25731 1 146 146 ILE . 25731 1 147 147 ILE . 25731 1 148 148 ASP . 25731 1 149 149 LEU . 25731 1 150 150 SER . 25731 1 151 151 ALA . 25731 1 152 152 ILE . 25731 1 153 153 GLN . 25731 1 154 154 ASP . 25731 1 155 155 GLU . 25731 1 156 156 VAL . 25731 1 157 157 ILE . 25731 1 158 158 LEU . 25731 1 159 159 VAL . 25731 1 160 160 ALA . 25731 1 161 161 ALA . 25731 1 162 162 ASP . 25731 1 163 163 LEU . 25731 1 164 164 THR . 25731 1 165 165 PRO . 25731 1 166 166 SER . 25731 1 167 167 GLU . 25731 1 168 168 THR . 25731 1 169 169 ALA . 25731 1 170 170 GLN . 25731 1 171 171 LEU . 25731 1 172 172 ASN . 25731 1 173 173 LEU . 25731 1 174 174 LYS . 25731 1 175 175 LYS . 25731 1 176 176 VAL . 25731 1 177 177 LEU . 25731 1 178 178 GLY . 25731 1 179 179 PHE . 25731 1 180 180 ILE . 25731 1 181 181 THR . 25731 1 182 182 ASP . 25731 1 183 183 ALA . 25731 1 184 184 GLY . 25731 1 185 185 GLY . 25731 1 186 186 ARG . 25731 1 187 187 THR . 25731 1 188 188 SER . 25731 1 189 189 HIS . 25731 1 190 190 THR . 25731 1 191 191 SER . 25731 1 192 192 ILE . 25731 1 193 193 MET . 25731 1 194 194 ALA . 25731 1 195 195 ARG . 25731 1 196 196 SER . 25731 1 197 197 LEU . 25731 1 198 198 GLU . 25731 1 199 199 LEU . 25731 1 200 200 PRO . 25731 1 201 201 ALA . 25731 1 202 202 ILE . 25731 1 203 203 VAL . 25731 1 204 204 GLY . 25731 1 205 205 THR . 25731 1 206 206 GLY . 25731 1 207 207 SER . 25731 1 208 208 VAL . 25731 1 209 209 THR . 25731 1 210 210 SER . 25731 1 211 211 GLN . 25731 1 212 212 VAL . 25731 1 213 213 LYS . 25731 1 214 214 ASN . 25731 1 215 215 ASP . 25731 1 216 216 ASP . 25731 1 217 217 TYR . 25731 1 218 218 LEU . 25731 1 219 219 ILE . 25731 1 220 220 LEU . 25731 1 221 221 ASP . 25731 1 222 222 ALA . 25731 1 223 223 VAL . 25731 1 224 224 ASN . 25731 1 225 225 ASN . 25731 1 226 226 GLN . 25731 1 227 227 VAL . 25731 1 228 228 TYR . 25731 1 229 229 VAL . 25731 1 230 230 ASN . 25731 1 231 231 PRO . 25731 1 232 232 THR . 25731 1 233 233 ASN . 25731 1 234 234 GLU . 25731 1 235 235 VAL . 25731 1 236 236 ILE . 25731 1 237 237 ASP . 25731 1 238 238 LYS . 25731 1 239 239 MET . 25731 1 240 240 ARG . 25731 1 241 241 ALA . 25731 1 242 242 VAL . 25731 1 243 243 GLN . 25731 1 244 244 GLU . 25731 1 245 245 GLN . 25731 1 246 246 VAL . 25731 1 247 247 ALA . 25731 1 248 248 SER . 25731 1 249 249 GLU . 25731 1 250 250 LYS . 25731 1 251 251 ALA . 25731 1 252 252 GLU . 25731 1 253 253 LEU . 25731 1 254 254 ALA . 25731 1 255 255 LYS . 25731 1 256 256 LEU . 25731 1 257 257 LYS . 25731 1 258 258 ASP . 25731 1 259 259 LEU . 25731 1 260 260 PRO . 25731 1 261 261 ALA . 25731 1 262 262 ILE . 25731 1 263 263 THR . 25731 1 264 264 LEU . 25731 1 265 265 ASP . 25731 1 266 266 GLY . 25731 1 267 267 HIS . 25731 1 268 268 GLN . 25731 1 269 269 VAL . 25731 1 270 270 GLU . 25731 1 271 271 VAL . 25731 1 272 272 CYS . 25731 1 273 273 ALA . 25731 1 274 274 ASN . 25731 1 275 275 ILE . 25731 1 276 276 GLY . 25731 1 277 277 THR . 25731 1 278 278 VAL . 25731 1 279 279 ARG . 25731 1 280 280 ASP . 25731 1 281 281 VAL . 25731 1 282 282 GLU . 25731 1 283 283 GLY . 25731 1 284 284 ALA . 25731 1 285 285 GLU . 25731 1 286 286 ARG . 25731 1 287 287 ASN . 25731 1 288 288 GLY . 25731 1 289 289 ALA . 25731 1 290 290 GLU . 25731 1 291 291 GLY . 25731 1 292 292 VAL . 25731 1 293 293 GLY . 25731 1 294 294 LEU . 25731 1 295 295 TYR . 25731 1 296 296 ARG . 25731 1 297 297 THR . 25731 1 298 298 GLU . 25731 1 299 299 PHE . 25731 1 300 300 LEU . 25731 1 301 301 PHE . 25731 1 302 302 MET . 25731 1 303 303 ASP . 25731 1 304 304 ARG . 25731 1 305 305 ASP . 25731 1 306 306 ALA . 25731 1 307 307 LEU . 25731 1 308 308 PRO . 25731 1 309 309 THR . 25731 1 310 310 GLU . 25731 1 311 311 GLU . 25731 1 312 312 GLU . 25731 1 313 313 GLN . 25731 1 314 314 PHE . 25731 1 315 315 ALA . 25731 1 316 316 ALA . 25731 1 317 317 TYR . 25731 1 318 318 LYS . 25731 1 319 319 ALA . 25731 1 320 320 VAL . 25731 1 321 321 ALA . 25731 1 322 322 GLU . 25731 1 323 323 ALA . 25731 1 324 324 CYS . 25731 1 325 325 GLY . 25731 1 326 326 SER . 25731 1 327 327 GLN . 25731 1 328 328 ALA . 25731 1 329 329 VAL . 25731 1 330 330 ILE . 25731 1 331 331 VAL . 25731 1 332 332 ARG . 25731 1 333 333 THR . 25731 1 334 334 MET . 25731 1 335 335 ASP . 25731 1 336 336 ILE . 25731 1 337 337 GLY . 25731 1 338 338 GLY . 25731 1 339 339 ASP . 25731 1 340 340 LYS . 25731 1 341 341 GLU . 25731 1 342 342 LEU . 25731 1 343 343 PRO . 25731 1 344 344 TYR . 25731 1 345 345 MET . 25731 1 346 346 ASN . 25731 1 347 347 PHE . 25731 1 348 348 PRO . 25731 1 349 349 LYS . 25731 1 350 350 GLU . 25731 1 351 351 GLU . 25731 1 352 352 ASN . 25731 1 353 353 PRO . 25731 1 354 354 PHE . 25731 1 355 355 LEU . 25731 1 356 356 GLY . 25731 1 357 357 TRP . 25731 1 358 358 ARG . 25731 1 359 359 ALA . 25731 1 360 360 ILE . 25731 1 361 361 ARG . 25731 1 362 362 ILE . 25731 1 363 363 ALA . 25731 1 364 364 MET . 25731 1 365 365 ASP . 25731 1 366 366 ARG . 25731 1 367 367 ARG . 25731 1 368 368 GLU . 25731 1 369 369 ILE . 25731 1 370 370 LEU . 25731 1 371 371 ARG . 25731 1 372 372 ASP . 25731 1 373 373 GLN . 25731 1 374 374 LEU . 25731 1 375 375 ARG . 25731 1 376 376 ALA . 25731 1 377 377 ILE . 25731 1 378 378 LEU . 25731 1 379 379 ARG . 25731 1 380 380 ALA . 25731 1 381 381 SER . 25731 1 382 382 ALA . 25731 1 383 383 PHE . 25731 1 384 384 GLY . 25731 1 385 385 LYS . 25731 1 386 386 LEU . 25731 1 387 387 ARG . 25731 1 388 388 ILE . 25731 1 389 389 MET . 25731 1 390 390 PHE . 25731 1 391 391 PRO . 25731 1 392 392 MET . 25731 1 393 393 ILE . 25731 1 394 394 ILE . 25731 1 395 395 SER . 25731 1 396 396 VAL . 25731 1 397 397 GLU . 25731 1 398 398 GLU . 25731 1 399 399 VAL . 25731 1 400 400 ARG . 25731 1 401 401 ALA . 25731 1 402 402 LEU . 25731 1 403 403 ARG . 25731 1 404 404 LYS . 25731 1 405 405 GLU . 25731 1 406 406 ILE . 25731 1 407 407 GLU . 25731 1 408 408 ILE . 25731 1 409 409 TYR . 25731 1 410 410 LYS . 25731 1 411 411 GLN . 25731 1 412 412 GLU . 25731 1 413 413 LEU . 25731 1 414 414 ARG . 25731 1 415 415 ASP . 25731 1 416 416 GLU . 25731 1 417 417 GLY . 25731 1 418 418 LYS . 25731 1 419 419 ALA . 25731 1 420 420 PHE . 25731 1 421 421 ASP . 25731 1 422 422 GLU . 25731 1 423 423 SER . 25731 1 424 424 ILE . 25731 1 425 425 GLU . 25731 1 426 426 ILE . 25731 1 427 427 GLY . 25731 1 428 428 VAL . 25731 1 429 429 MET . 25731 1 430 430 VAL . 25731 1 431 431 GLU . 25731 1 432 432 THR . 25731 1 433 433 PRO . 25731 1 434 434 ALA . 25731 1 435 435 ALA . 25731 1 436 436 ALA . 25731 1 437 437 THR . 25731 1 438 438 ILE . 25731 1 439 439 ALA . 25731 1 440 440 ARG . 25731 1 441 441 HIS . 25731 1 442 442 LEU . 25731 1 443 443 ALA . 25731 1 444 444 LYS . 25731 1 445 445 GLU . 25731 1 446 446 VAL . 25731 1 447 447 ASP . 25731 1 448 448 PHE . 25731 1 449 449 PHE . 25731 1 450 450 SER . 25731 1 451 451 ILE . 25731 1 452 452 GLY . 25731 1 453 453 THR . 25731 1 454 454 ASN . 25731 1 455 455 ASP . 25731 1 456 456 LEU . 25731 1 457 457 THR . 25731 1 458 458 GLN . 25731 1 459 459 TYR . 25731 1 460 460 THR . 25731 1 461 461 LEU . 25731 1 462 462 ALA . 25731 1 463 463 VAL . 25731 1 464 464 ASP . 25731 1 465 465 ARG . 25731 1 466 466 GLY . 25731 1 467 467 ASN . 25731 1 468 468 ASP . 25731 1 469 469 MET . 25731 1 470 470 ILE . 25731 1 471 471 SER . 25731 1 472 472 HIS . 25731 1 473 473 LEU . 25731 1 474 474 TYR . 25731 1 475 475 GLN . 25731 1 476 476 PRO . 25731 1 477 477 MET . 25731 1 478 478 SER . 25731 1 479 479 PRO . 25731 1 480 480 SER . 25731 1 481 481 VAL . 25731 1 482 482 LEU . 25731 1 483 483 ASN . 25731 1 484 484 LEU . 25731 1 485 485 ILE . 25731 1 486 486 LYS . 25731 1 487 487 GLN . 25731 1 488 488 VAL . 25731 1 489 489 ILE . 25731 1 490 490 ASP . 25731 1 491 491 ALA . 25731 1 492 492 SER . 25731 1 493 493 HIS . 25731 1 494 494 ALA . 25731 1 495 495 GLU . 25731 1 496 496 GLY . 25731 1 497 497 LYS . 25731 1 498 498 TRP . 25731 1 499 499 THR . 25731 1 500 500 GLY . 25731 1 501 501 MET . 25731 1 502 502 CYS . 25731 1 503 503 GLY . 25731 1 504 504 GLU . 25731 1 505 505 LEU . 25731 1 506 506 ALA . 25731 1 507 507 GLY . 25731 1 508 508 ASP . 25731 1 509 509 GLU . 25731 1 510 510 ARG . 25731 1 511 511 ALA . 25731 1 512 512 THR . 25731 1 513 513 LEU . 25731 1 514 514 LEU . 25731 1 515 515 LEU . 25731 1 516 516 LEU . 25731 1 517 517 GLY . 25731 1 518 518 MET . 25731 1 519 519 GLY . 25731 1 520 520 LEU . 25731 1 521 521 ASP . 25731 1 522 522 GLU . 25731 1 523 523 PHE . 25731 1 524 524 SER . 25731 1 525 525 MET . 25731 1 526 526 SER . 25731 1 527 527 ALA . 25731 1 528 528 ILE . 25731 1 529 529 SER . 25731 1 530 530 ILE . 25731 1 531 531 PRO . 25731 1 532 532 ARG . 25731 1 533 533 ILE . 25731 1 534 534 LYS . 25731 1 535 535 LYS . 25731 1 536 536 ILE . 25731 1 537 537 ILE . 25731 1 538 538 ARG . 25731 1 539 539 ASN . 25731 1 540 540 THR . 25731 1 541 541 ASN . 25731 1 542 542 PHE . 25731 1 543 543 GLU . 25731 1 544 544 ASP . 25731 1 545 545 ALA . 25731 1 546 546 LYS . 25731 1 547 547 VAL . 25731 1 548 548 LEU . 25731 1 549 549 ALA . 25731 1 550 550 GLU . 25731 1 551 551 GLN . 25731 1 552 552 ALA . 25731 1 553 553 LEU . 25731 1 554 554 ALA . 25731 1 555 555 GLN . 25731 1 556 556 PRO . 25731 1 557 557 THR . 25731 1 558 558 THR . 25731 1 559 559 ASP . 25731 1 560 560 GLU . 25731 1 561 561 LEU . 25731 1 562 562 MET . 25731 1 563 563 THR . 25731 1 564 564 LEU . 25731 1 565 565 VAL . 25731 1 566 566 ASN . 25731 1 567 567 LYS . 25731 1 568 568 PHE . 25731 1 569 569 ILE . 25731 1 570 570 GLU . 25731 1 571 571 GLU . 25731 1 572 572 LYS . 25731 1 573 573 THR . 25731 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 25731 1 . ILE 2 2 25731 1 . SER 3 3 25731 1 . GLY 4 4 25731 1 . ILE 5 5 25731 1 . LEU 6 6 25731 1 . ALA 7 7 25731 1 . SER 8 8 25731 1 . PRO 9 9 25731 1 . GLY 10 10 25731 1 . ILE 11 11 25731 1 . ALA 12 12 25731 1 . PHE 13 13 25731 1 . GLY 14 14 25731 1 . LYS 15 15 25731 1 . ALA 16 16 25731 1 . LEU 17 17 25731 1 . LEU 18 18 25731 1 . LEU 19 19 25731 1 . LYS 20 20 25731 1 . GLU 21 21 25731 1 . ASP 22 22 25731 1 . GLU 23 23 25731 1 . ILE 24 24 25731 1 . VAL 25 25 25731 1 . ILE 26 26 25731 1 . ASP 27 27 25731 1 . ARG 28 28 25731 1 . LYS 29 29 25731 1 . LYS 30 30 25731 1 . ILE 31 31 25731 1 . SER 32 32 25731 1 . ALA 33 33 25731 1 . ASP 34 34 25731 1 . GLN 35 35 25731 1 . VAL 36 36 25731 1 . ASP 37 37 25731 1 . GLN 38 38 25731 1 . GLU 39 39 25731 1 . VAL 40 40 25731 1 . GLU 41 41 25731 1 . ARG 42 42 25731 1 . PHE 43 43 25731 1 . LEU 44 44 25731 1 . SER 45 45 25731 1 . GLY 46 46 25731 1 . ARG 47 47 25731 1 . ALA 48 48 25731 1 . LYS 49 49 25731 1 . ALA 50 50 25731 1 . SER 51 51 25731 1 . ALA 52 52 25731 1 . GLN 53 53 25731 1 . LEU 54 54 25731 1 . GLU 55 55 25731 1 . THR 56 56 25731 1 . ILE 57 57 25731 1 . LYS 58 58 25731 1 . THR 59 59 25731 1 . LYS 60 60 25731 1 . ALA 61 61 25731 1 . GLY 62 62 25731 1 . GLU 63 63 25731 1 . THR 64 64 25731 1 . PHE 65 65 25731 1 . GLY 66 66 25731 1 . GLU 67 67 25731 1 . GLU 68 68 25731 1 . LYS 69 69 25731 1 . GLU 70 70 25731 1 . ALA 71 71 25731 1 . ILE 72 72 25731 1 . PHE 73 73 25731 1 . GLU 74 74 25731 1 . GLY 75 75 25731 1 . HIS 76 76 25731 1 . ILE 77 77 25731 1 . MET 78 78 25731 1 . LEU 79 79 25731 1 . LEU 80 80 25731 1 . GLU 81 81 25731 1 . ASP 82 82 25731 1 . GLU 83 83 25731 1 . GLU 84 84 25731 1 . LEU 85 85 25731 1 . GLU 86 86 25731 1 . GLN 87 87 25731 1 . GLU 88 88 25731 1 . ILE 89 89 25731 1 . ILE 90 90 25731 1 . ALA 91 91 25731 1 . LEU 92 92 25731 1 . ILE 93 93 25731 1 . LYS 94 94 25731 1 . ASP 95 95 25731 1 . LYS 96 96 25731 1 . HIS 97 97 25731 1 . MET 98 98 25731 1 . THR 99 99 25731 1 . ALA 100 100 25731 1 . ASP 101 101 25731 1 . ALA 102 102 25731 1 . ALA 103 103 25731 1 . ALA 104 104 25731 1 . HIS 105 105 25731 1 . GLU 106 106 25731 1 . VAL 107 107 25731 1 . ILE 108 108 25731 1 . GLU 109 109 25731 1 . GLY 110 110 25731 1 . GLN 111 111 25731 1 . ALA 112 112 25731 1 . SER 113 113 25731 1 . ALA 114 114 25731 1 . LEU 115 115 25731 1 . GLU 116 116 25731 1 . GLU 117 117 25731 1 . LEU 118 118 25731 1 . ASP 119 119 25731 1 . ASP 120 120 25731 1 . GLU 121 121 25731 1 . TYR 122 122 25731 1 . LEU 123 123 25731 1 . LYS 124 124 25731 1 . GLU 125 125 25731 1 . ARG 126 126 25731 1 . ALA 127 127 25731 1 . ALA 128 128 25731 1 . ASP 129 129 25731 1 . VAL 130 130 25731 1 . ARG 131 131 25731 1 . ASP 132 132 25731 1 . ILE 133 133 25731 1 . GLY 134 134 25731 1 . LYS 135 135 25731 1 . ARG 136 136 25731 1 . LEU 137 137 25731 1 . LEU 138 138 25731 1 . ARG 139 139 25731 1 . ASN 140 140 25731 1 . ILE 141 141 25731 1 . LEU 142 142 25731 1 . GLY 143 143 25731 1 . LEU 144 144 25731 1 . LYS 145 145 25731 1 . ILE 146 146 25731 1 . ILE 147 147 25731 1 . ASP 148 148 25731 1 . LEU 149 149 25731 1 . SER 150 150 25731 1 . ALA 151 151 25731 1 . ILE 152 152 25731 1 . GLN 153 153 25731 1 . ASP 154 154 25731 1 . GLU 155 155 25731 1 . VAL 156 156 25731 1 . ILE 157 157 25731 1 . LEU 158 158 25731 1 . VAL 159 159 25731 1 . ALA 160 160 25731 1 . ALA 161 161 25731 1 . ASP 162 162 25731 1 . LEU 163 163 25731 1 . THR 164 164 25731 1 . PRO 165 165 25731 1 . SER 166 166 25731 1 . GLU 167 167 25731 1 . THR 168 168 25731 1 . ALA 169 169 25731 1 . GLN 170 170 25731 1 . LEU 171 171 25731 1 . ASN 172 172 25731 1 . LEU 173 173 25731 1 . LYS 174 174 25731 1 . LYS 175 175 25731 1 . VAL 176 176 25731 1 . LEU 177 177 25731 1 . GLY 178 178 25731 1 . PHE 179 179 25731 1 . ILE 180 180 25731 1 . THR 181 181 25731 1 . ASP 182 182 25731 1 . ALA 183 183 25731 1 . GLY 184 184 25731 1 . GLY 185 185 25731 1 . ARG 186 186 25731 1 . THR 187 187 25731 1 . SER 188 188 25731 1 . HIS 189 189 25731 1 . THR 190 190 25731 1 . SER 191 191 25731 1 . ILE 192 192 25731 1 . MET 193 193 25731 1 . ALA 194 194 25731 1 . ARG 195 195 25731 1 . SER 196 196 25731 1 . LEU 197 197 25731 1 . GLU 198 198 25731 1 . LEU 199 199 25731 1 . PRO 200 200 25731 1 . ALA 201 201 25731 1 . ILE 202 202 25731 1 . VAL 203 203 25731 1 . GLY 204 204 25731 1 . THR 205 205 25731 1 . GLY 206 206 25731 1 . SER 207 207 25731 1 . VAL 208 208 25731 1 . THR 209 209 25731 1 . SER 210 210 25731 1 . GLN 211 211 25731 1 . VAL 212 212 25731 1 . LYS 213 213 25731 1 . ASN 214 214 25731 1 . ASP 215 215 25731 1 . ASP 216 216 25731 1 . TYR 217 217 25731 1 . LEU 218 218 25731 1 . ILE 219 219 25731 1 . LEU 220 220 25731 1 . ASP 221 221 25731 1 . ALA 222 222 25731 1 . VAL 223 223 25731 1 . ASN 224 224 25731 1 . ASN 225 225 25731 1 . GLN 226 226 25731 1 . VAL 227 227 25731 1 . TYR 228 228 25731 1 . VAL 229 229 25731 1 . ASN 230 230 25731 1 . PRO 231 231 25731 1 . THR 232 232 25731 1 . ASN 233 233 25731 1 . GLU 234 234 25731 1 . VAL 235 235 25731 1 . ILE 236 236 25731 1 . ASP 237 237 25731 1 . LYS 238 238 25731 1 . MET 239 239 25731 1 . ARG 240 240 25731 1 . ALA 241 241 25731 1 . VAL 242 242 25731 1 . GLN 243 243 25731 1 . GLU 244 244 25731 1 . GLN 245 245 25731 1 . VAL 246 246 25731 1 . ALA 247 247 25731 1 . SER 248 248 25731 1 . GLU 249 249 25731 1 . LYS 250 250 25731 1 . ALA 251 251 25731 1 . GLU 252 252 25731 1 . LEU 253 253 25731 1 . ALA 254 254 25731 1 . LYS 255 255 25731 1 . LEU 256 256 25731 1 . LYS 257 257 25731 1 . ASP 258 258 25731 1 . LEU 259 259 25731 1 . PRO 260 260 25731 1 . ALA 261 261 25731 1 . ILE 262 262 25731 1 . THR 263 263 25731 1 . LEU 264 264 25731 1 . ASP 265 265 25731 1 . GLY 266 266 25731 1 . HIS 267 267 25731 1 . GLN 268 268 25731 1 . VAL 269 269 25731 1 . GLU 270 270 25731 1 . VAL 271 271 25731 1 . CYS 272 272 25731 1 . ALA 273 273 25731 1 . ASN 274 274 25731 1 . ILE 275 275 25731 1 . GLY 276 276 25731 1 . THR 277 277 25731 1 . VAL 278 278 25731 1 . ARG 279 279 25731 1 . ASP 280 280 25731 1 . VAL 281 281 25731 1 . GLU 282 282 25731 1 . GLY 283 283 25731 1 . ALA 284 284 25731 1 . GLU 285 285 25731 1 . ARG 286 286 25731 1 . ASN 287 287 25731 1 . GLY 288 288 25731 1 . ALA 289 289 25731 1 . GLU 290 290 25731 1 . GLY 291 291 25731 1 . VAL 292 292 25731 1 . GLY 293 293 25731 1 . LEU 294 294 25731 1 . TYR 295 295 25731 1 . ARG 296 296 25731 1 . THR 297 297 25731 1 . GLU 298 298 25731 1 . PHE 299 299 25731 1 . LEU 300 300 25731 1 . PHE 301 301 25731 1 . MET 302 302 25731 1 . ASP 303 303 25731 1 . ARG 304 304 25731 1 . ASP 305 305 25731 1 . ALA 306 306 25731 1 . LEU 307 307 25731 1 . PRO 308 308 25731 1 . THR 309 309 25731 1 . GLU 310 310 25731 1 . GLU 311 311 25731 1 . GLU 312 312 25731 1 . GLN 313 313 25731 1 . PHE 314 314 25731 1 . ALA 315 315 25731 1 . ALA 316 316 25731 1 . TYR 317 317 25731 1 . LYS 318 318 25731 1 . ALA 319 319 25731 1 . VAL 320 320 25731 1 . ALA 321 321 25731 1 . GLU 322 322 25731 1 . ALA 323 323 25731 1 . CYS 324 324 25731 1 . GLY 325 325 25731 1 . SER 326 326 25731 1 . GLN 327 327 25731 1 . ALA 328 328 25731 1 . VAL 329 329 25731 1 . ILE 330 330 25731 1 . VAL 331 331 25731 1 . ARG 332 332 25731 1 . THR 333 333 25731 1 . MET 334 334 25731 1 . ASP 335 335 25731 1 . ILE 336 336 25731 1 . GLY 337 337 25731 1 . GLY 338 338 25731 1 . ASP 339 339 25731 1 . LYS 340 340 25731 1 . GLU 341 341 25731 1 . LEU 342 342 25731 1 . PRO 343 343 25731 1 . TYR 344 344 25731 1 . MET 345 345 25731 1 . ASN 346 346 25731 1 . PHE 347 347 25731 1 . PRO 348 348 25731 1 . LYS 349 349 25731 1 . GLU 350 350 25731 1 . GLU 351 351 25731 1 . ASN 352 352 25731 1 . PRO 353 353 25731 1 . PHE 354 354 25731 1 . LEU 355 355 25731 1 . GLY 356 356 25731 1 . TRP 357 357 25731 1 . ARG 358 358 25731 1 . ALA 359 359 25731 1 . ILE 360 360 25731 1 . ARG 361 361 25731 1 . ILE 362 362 25731 1 . ALA 363 363 25731 1 . MET 364 364 25731 1 . ASP 365 365 25731 1 . ARG 366 366 25731 1 . ARG 367 367 25731 1 . GLU 368 368 25731 1 . ILE 369 369 25731 1 . LEU 370 370 25731 1 . ARG 371 371 25731 1 . ASP 372 372 25731 1 . GLN 373 373 25731 1 . LEU 374 374 25731 1 . ARG 375 375 25731 1 . ALA 376 376 25731 1 . ILE 377 377 25731 1 . LEU 378 378 25731 1 . ARG 379 379 25731 1 . ALA 380 380 25731 1 . SER 381 381 25731 1 . ALA 382 382 25731 1 . PHE 383 383 25731 1 . GLY 384 384 25731 1 . LYS 385 385 25731 1 . LEU 386 386 25731 1 . ARG 387 387 25731 1 . ILE 388 388 25731 1 . MET 389 389 25731 1 . PHE 390 390 25731 1 . PRO 391 391 25731 1 . MET 392 392 25731 1 . ILE 393 393 25731 1 . ILE 394 394 25731 1 . SER 395 395 25731 1 . VAL 396 396 25731 1 . GLU 397 397 25731 1 . GLU 398 398 25731 1 . VAL 399 399 25731 1 . ARG 400 400 25731 1 . ALA 401 401 25731 1 . LEU 402 402 25731 1 . ARG 403 403 25731 1 . LYS 404 404 25731 1 . GLU 405 405 25731 1 . ILE 406 406 25731 1 . GLU 407 407 25731 1 . ILE 408 408 25731 1 . TYR 409 409 25731 1 . LYS 410 410 25731 1 . GLN 411 411 25731 1 . GLU 412 412 25731 1 . LEU 413 413 25731 1 . ARG 414 414 25731 1 . ASP 415 415 25731 1 . GLU 416 416 25731 1 . GLY 417 417 25731 1 . LYS 418 418 25731 1 . ALA 419 419 25731 1 . PHE 420 420 25731 1 . ASP 421 421 25731 1 . GLU 422 422 25731 1 . SER 423 423 25731 1 . ILE 424 424 25731 1 . GLU 425 425 25731 1 . ILE 426 426 25731 1 . GLY 427 427 25731 1 . VAL 428 428 25731 1 . MET 429 429 25731 1 . VAL 430 430 25731 1 . GLU 431 431 25731 1 . THR 432 432 25731 1 . PRO 433 433 25731 1 . ALA 434 434 25731 1 . ALA 435 435 25731 1 . ALA 436 436 25731 1 . THR 437 437 25731 1 . ILE 438 438 25731 1 . ALA 439 439 25731 1 . ARG 440 440 25731 1 . HIS 441 441 25731 1 . LEU 442 442 25731 1 . ALA 443 443 25731 1 . LYS 444 444 25731 1 . GLU 445 445 25731 1 . VAL 446 446 25731 1 . ASP 447 447 25731 1 . PHE 448 448 25731 1 . PHE 449 449 25731 1 . SER 450 450 25731 1 . ILE 451 451 25731 1 . GLY 452 452 25731 1 . THR 453 453 25731 1 . ASN 454 454 25731 1 . ASP 455 455 25731 1 . LEU 456 456 25731 1 . THR 457 457 25731 1 . GLN 458 458 25731 1 . TYR 459 459 25731 1 . THR 460 460 25731 1 . LEU 461 461 25731 1 . ALA 462 462 25731 1 . VAL 463 463 25731 1 . ASP 464 464 25731 1 . ARG 465 465 25731 1 . GLY 466 466 25731 1 . ASN 467 467 25731 1 . ASP 468 468 25731 1 . MET 469 469 25731 1 . ILE 470 470 25731 1 . SER 471 471 25731 1 . HIS 472 472 25731 1 . LEU 473 473 25731 1 . TYR 474 474 25731 1 . GLN 475 475 25731 1 . PRO 476 476 25731 1 . MET 477 477 25731 1 . SER 478 478 25731 1 . PRO 479 479 25731 1 . SER 480 480 25731 1 . VAL 481 481 25731 1 . LEU 482 482 25731 1 . ASN 483 483 25731 1 . LEU 484 484 25731 1 . ILE 485 485 25731 1 . LYS 486 486 25731 1 . GLN 487 487 25731 1 . VAL 488 488 25731 1 . ILE 489 489 25731 1 . ASP 490 490 25731 1 . ALA 491 491 25731 1 . SER 492 492 25731 1 . HIS 493 493 25731 1 . ALA 494 494 25731 1 . GLU 495 495 25731 1 . GLY 496 496 25731 1 . LYS 497 497 25731 1 . TRP 498 498 25731 1 . THR 499 499 25731 1 . GLY 500 500 25731 1 . MET 501 501 25731 1 . CYS 502 502 25731 1 . GLY 503 503 25731 1 . GLU 504 504 25731 1 . LEU 505 505 25731 1 . ALA 506 506 25731 1 . GLY 507 507 25731 1 . ASP 508 508 25731 1 . GLU 509 509 25731 1 . ARG 510 510 25731 1 . ALA 511 511 25731 1 . THR 512 512 25731 1 . LEU 513 513 25731 1 . LEU 514 514 25731 1 . LEU 515 515 25731 1 . LEU 516 516 25731 1 . GLY 517 517 25731 1 . MET 518 518 25731 1 . GLY 519 519 25731 1 . LEU 520 520 25731 1 . ASP 521 521 25731 1 . GLU 522 522 25731 1 . PHE 523 523 25731 1 . SER 524 524 25731 1 . MET 525 525 25731 1 . SER 526 526 25731 1 . ALA 527 527 25731 1 . ILE 528 528 25731 1 . SER 529 529 25731 1 . ILE 530 530 25731 1 . PRO 531 531 25731 1 . ARG 532 532 25731 1 . ILE 533 533 25731 1 . LYS 534 534 25731 1 . LYS 535 535 25731 1 . ILE 536 536 25731 1 . ILE 537 537 25731 1 . ARG 538 538 25731 1 . ASN 539 539 25731 1 . THR 540 540 25731 1 . ASN 541 541 25731 1 . PHE 542 542 25731 1 . GLU 543 543 25731 1 . ASP 544 544 25731 1 . ALA 545 545 25731 1 . LYS 546 546 25731 1 . VAL 547 547 25731 1 . LEU 548 548 25731 1 . ALA 549 549 25731 1 . GLU 550 550 25731 1 . GLN 551 551 25731 1 . ALA 552 552 25731 1 . LEU 553 553 25731 1 . ALA 554 554 25731 1 . GLN 555 555 25731 1 . PRO 556 556 25731 1 . THR 557 557 25731 1 . THR 558 558 25731 1 . ASP 559 559 25731 1 . GLU 560 560 25731 1 . LEU 561 561 25731 1 . MET 562 562 25731 1 . THR 563 563 25731 1 . LEU 564 564 25731 1 . VAL 565 565 25731 1 . ASN 566 566 25731 1 . LYS 567 567 25731 1 . PHE 568 568 25731 1 . ILE 569 569 25731 1 . GLU 570 570 25731 1 . GLU 571 571 25731 1 . LYS 572 572 25731 1 . THR 573 573 25731 1 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 25731 _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 $entity . 562 organism . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25731 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 25731 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11 . . . 25731 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25731 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 EIA '[U-13C; U-15N; U-2H]' . . 1 $entity . . 0.4 . . mM . . . . 25731 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25731 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 25731 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25731 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25731 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25731 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25731 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 25731 _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' 0.1 . M 25731 1 pH 7.4 . pH 25731 1 pressure 1 . atm 25731 1 temperature 273 . K 25731 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25731 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25731 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25731 1 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 25731 _Software.ID 2 _Software.Name Xplor-NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25731 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25731 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25731 _Software.ID 3 _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' . . 25731 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25731 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25731 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25731 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25731 4 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 25731 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 25731 _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 Bruker Avance . 800 . . . 25731 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 25731 _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 ARTSY no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25731 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25731 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 25731 _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 25731 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013717 . . . . . . . . . 25731 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 25731 _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 2 '2D 1H-15N HSQC' . . . 25731 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 4 4 GLY H H 1 8.608 . . . . . . A 4 GLY H . 25731 1 2 . 1 1 4 4 GLY N N 15 109.068 . . . . . . A 4 GLY N . 25731 1 3 . 1 1 5 5 ILE H H 1 9.573 . . . . . . A 5 ILE H . 25731 1 4 . 1 1 5 5 ILE N N 15 131.711 . . . . . . A 5 ILE N . 25731 1 5 . 1 1 7 7 ALA H H 1 7.841 . . . . . . A 7 ALA H . 25731 1 6 . 1 1 7 7 ALA N N 15 130.884 . . . . . . A 7 ALA N . 25731 1 7 . 1 1 8 8 SER H H 1 7.715 . . . . . . A 8 SER H . 25731 1 8 . 1 1 8 8 SER N N 15 111.971 . . . . . . A 8 SER N . 25731 1 9 . 1 1 10 10 GLY H H 1 6.261 . . . . . . A 10 GLY H . 25731 1 10 . 1 1 10 10 GLY N N 15 104.297 . . . . . . A 10 GLY N . 25731 1 11 . 1 1 14 14 GLY H H 1 8.294 . . . . . . A 14 GLY H . 25731 1 12 . 1 1 14 14 GLY N N 15 108.348 . . . . . . A 14 GLY N . 25731 1 13 . 1 1 18 18 LEU H H 1 8.839 . . . . . . A 18 LEU H . 25731 1 14 . 1 1 18 18 LEU N N 15 129.007 . . . . . . A 18 LEU N . 25731 1 15 . 1 1 19 19 LEU H H 1 8.982 . . . . . . A 19 LEU H . 25731 1 16 . 1 1 19 19 LEU N N 15 129.235 . . . . . . A 19 LEU N . 25731 1 17 . 1 1 23 23 GLU H H 1 8.471 . . . . . . A 23 GLU H . 25731 1 18 . 1 1 23 23 GLU N N 15 122.434 . . . . . . A 23 GLU N . 25731 1 19 . 1 1 24 24 ILE H H 1 8.459 . . . . . . A 24 ILE H . 25731 1 20 . 1 1 24 24 ILE N N 15 124.551 . . . . . . A 24 ILE N . 25731 1 21 . 1 1 25 25 VAL H H 1 8.087 . . . . . . A 25 VAL H . 25731 1 22 . 1 1 25 25 VAL N N 15 131.023 . . . . . . A 25 VAL N . 25731 1 23 . 1 1 26 26 ILE H H 1 7.994 . . . . . . A 26 ILE H . 25731 1 24 . 1 1 26 26 ILE N N 15 126.563 . . . . . . A 26 ILE N . 25731 1 25 . 1 1 27 27 ASP H H 1 9.479 . . . . . . A 27 ASP H . 25731 1 26 . 1 1 27 27 ASP N N 15 128.838 . . . . . . A 27 ASP N . 25731 1 27 . 1 1 28 28 ARG H H 1 8.299 . . . . . . A 28 ARG H . 25731 1 28 . 1 1 28 28 ARG N N 15 124.609 . . . . . . A 28 ARG N . 25731 1 29 . 1 1 29 29 LYS H H 1 8.152 . . . . . . A 29 LYS H . 25731 1 30 . 1 1 29 29 LYS N N 15 123.043 . . . . . . A 29 LYS N . 25731 1 31 . 1 1 30 30 LYS H H 1 8.346 . . . . . . A 30 LYS H . 25731 1 32 . 1 1 30 30 LYS N N 15 123.947 . . . . . . A 30 LYS N . 25731 1 33 . 1 1 32 32 SER H H 1 8.102 . . . . . . A 32 SER H . 25731 1 34 . 1 1 32 32 SER N N 15 114.432 . . . . . . A 32 SER N . 25731 1 35 . 1 1 37 37 ASP H H 1 8.539 . . . . . . A 37 ASP H . 25731 1 36 . 1 1 37 37 ASP N N 15 118.749 . . . . . . A 37 ASP N . 25731 1 37 . 1 1 40 40 VAL H H 1 8.817 . . . . . . A 40 VAL H . 25731 1 38 . 1 1 40 40 VAL N N 15 122.242 . . . . . . A 40 VAL N . 25731 1 39 . 1 1 41 41 GLU H H 1 7.910 . . . . . . A 41 GLU H . 25731 1 40 . 1 1 41 41 GLU N N 15 119.003 . . . . . . A 41 GLU N . 25731 1 41 . 1 1 45 45 SER H H 1 9.073 . . . . . . A 45 SER H . 25731 1 42 . 1 1 45 45 SER N N 15 116.937 . . . . . . A 45 SER N . 25731 1 43 . 1 1 46 46 GLY H H 1 7.990 . . . . . . A 46 GLY H . 25731 1 44 . 1 1 46 46 GLY N N 15 111.188 . . . . . . A 46 GLY N . 25731 1 45 . 1 1 47 47 ARG H H 1 8.755 . . . . . . A 47 ARG H . 25731 1 46 . 1 1 47 47 ARG N N 15 123.155 . . . . . . A 47 ARG N . 25731 1 47 . 1 1 56 56 THR H H 1 7.602 . . . . . . A 56 THR H . 25731 1 48 . 1 1 56 56 THR N N 15 116.925 . . . . . . A 56 THR N . 25731 1 49 . 1 1 58 58 LYS H H 1 8.611 . . . . . . A 58 LYS H . 25731 1 50 . 1 1 58 58 LYS N N 15 120.834 . . . . . . A 58 LYS N . 25731 1 51 . 1 1 68 68 GLU H H 1 8.986 . . . . . . A 68 GLU H . 25731 1 52 . 1 1 68 68 GLU N N 15 120.644 . . . . . . A 68 GLU N . 25731 1 53 . 1 1 71 71 ALA H H 1 7.660 . . . . . . A 71 ALA H . 25731 1 54 . 1 1 71 71 ALA N N 15 118.782 . . . . . . A 71 ALA N . 25731 1 55 . 1 1 75 75 GLY H H 1 7.803 . . . . . . A 75 GLY H . 25731 1 56 . 1 1 75 75 GLY N N 15 106.782 . . . . . . A 75 GLY N . 25731 1 57 . 1 1 81 81 GLU H H 1 7.963 . . . . . . A 81 GLU H . 25731 1 58 . 1 1 81 81 GLU N N 15 113.885 . . . . . . A 81 GLU N . 25731 1 59 . 1 1 83 83 GLU H H 1 9.055 . . . . . . A 83 GLU H . 25731 1 60 . 1 1 83 83 GLU N N 15 129.401 . . . . . . A 83 GLU N . 25731 1 61 . 1 1 92 92 LEU H H 1 7.422 . . . . . . A 92 LEU H . 25731 1 62 . 1 1 92 92 LEU N N 15 118.295 . . . . . . A 92 LEU N . 25731 1 63 . 1 1 93 93 ILE H H 1 7.601 . . . . . . A 93 ILE H . 25731 1 64 . 1 1 93 93 ILE N N 15 120.627 . . . . . . A 93 ILE N . 25731 1 65 . 1 1 94 94 LYS H H 1 8.498 . . . . . . A 94 LYS H . 25731 1 66 . 1 1 94 94 LYS N N 15 115.650 . . . . . . A 94 LYS N . 25731 1 67 . 1 1 96 96 LYS H H 1 7.154 . . . . . . A 96 LYS H . 25731 1 68 . 1 1 96 96 LYS N N 15 115.886 . . . . . . A 96 LYS N . 25731 1 69 . 1 1 100 100 ALA H H 1 10.542 . . . . . . A 100 ALA H . 25731 1 70 . 1 1 100 100 ALA N N 15 121.819 . . . . . . A 100 ALA N . 25731 1 71 . 1 1 101 101 ASP H H 1 9.437 . . . . . . A 101 ASP H . 25731 1 72 . 1 1 101 101 ASP N N 15 109.661 . . . . . . A 101 ASP N . 25731 1 73 . 1 1 104 104 ALA H H 1 8.328 . . . . . . A 104 ALA H . 25731 1 74 . 1 1 104 104 ALA N N 15 118.118 . . . . . . A 104 ALA N . 25731 1 75 . 1 1 110 110 GLY H H 1 7.984 . . . . . . A 110 GLY H . 25731 1 76 . 1 1 110 110 GLY N N 15 108.385 . . . . . . A 110 GLY N . 25731 1 77 . 1 1 113 113 SER H H 1 8.406 . . . . . . A 113 SER H . 25731 1 78 . 1 1 113 113 SER N N 15 112.590 . . . . . . A 113 SER N . 25731 1 79 . 1 1 115 115 LEU H H 1 7.467 . . . . . . A 115 LEU H . 25731 1 80 . 1 1 115 115 LEU N N 15 118.313 . . . . . . A 115 LEU N . 25731 1 81 . 1 1 116 116 GLU H H 1 7.756 . . . . . . A 116 GLU H . 25731 1 82 . 1 1 116 116 GLU N N 15 116.378 . . . . . . A 116 GLU N . 25731 1 83 . 1 1 117 117 GLU H H 1 7.446 . . . . . . A 117 GLU H . 25731 1 84 . 1 1 117 117 GLU N N 15 117.307 . . . . . . A 117 GLU N . 25731 1 85 . 1 1 118 118 LEU H H 1 7.218 . . . . . . A 118 LEU H . 25731 1 86 . 1 1 118 118 LEU N N 15 119.474 . . . . . . A 118 LEU N . 25731 1 87 . 1 1 122 122 TYR H H 1 8.258 . . . . . . A 122 TYR H . 25731 1 88 . 1 1 122 122 TYR N N 15 119.867 . . . . . . A 122 TYR N . 25731 1 89 . 1 1 134 134 GLY H H 1 8.746 . . . . . . A 134 GLY H . 25731 1 90 . 1 1 134 134 GLY N N 15 109.570 . . . . . . A 134 GLY N . 25731 1 91 . 1 1 138 138 LEU H H 1 8.921 . . . . . . A 138 LEU H . 25731 1 92 . 1 1 138 138 LEU N N 15 119.451 . . . . . . A 138 LEU N . 25731 1 93 . 1 1 143 143 GLY H H 1 7.673 . . . . . . A 143 GLY H . 25731 1 94 . 1 1 143 143 GLY N N 15 109.192 . . . . . . A 143 GLY N . 25731 1 95 . 1 1 146 146 ILE H H 1 8.295 . . . . . . A 146 ILE H . 25731 1 96 . 1 1 146 146 ILE N N 15 126.426 . . . . . . A 146 ILE N . 25731 1 97 . 1 1 148 148 ASP H H 1 8.369 . . . . . . A 148 ASP H . 25731 1 98 . 1 1 148 148 ASP N N 15 126.756 . . . . . . A 148 ASP N . 25731 1 99 . 1 1 151 151 ALA H H 1 7.407 . . . . . . A 151 ALA H . 25731 1 100 . 1 1 151 151 ALA N N 15 125.461 . . . . . . A 151 ALA N . 25731 1 101 . 1 1 152 152 ILE H H 1 6.746 . . . . . . A 152 ILE H . 25731 1 102 . 1 1 152 152 ILE N N 15 119.784 . . . . . . A 152 ILE N . 25731 1 103 . 1 1 158 158 LEU H H 1 8.058 . . . . . . A 158 LEU H . 25731 1 104 . 1 1 158 158 LEU N N 15 127.511 . . . . . . A 158 LEU N . 25731 1 105 . 1 1 161 161 ALA H H 1 9.201 . . . . . . A 161 ALA H . 25731 1 106 . 1 1 161 161 ALA N N 15 125.207 . . . . . . A 161 ALA N . 25731 1 107 . 1 1 162 162 ASP H H 1 7.475 . . . . . . A 162 ASP H . 25731 1 108 . 1 1 162 162 ASP N N 15 110.996 . . . . . . A 162 ASP N . 25731 1 109 . 1 1 181 181 THR H H 1 8.354 . . . . . . A 181 THR H . 25731 1 110 . 1 1 181 181 THR N N 15 111.899 . . . . . . A 181 THR N . 25731 1 111 . 1 1 206 206 GLY H H 1 10.135 . . . . . . A 206 GLY H . 25731 1 112 . 1 1 206 206 GLY N N 15 117.211 . . . . . . A 206 GLY N . 25731 1 113 . 1 1 207 207 SER H H 1 7.865 . . . . . . A 207 SER H . 25731 1 114 . 1 1 207 207 SER N N 15 112.839 . . . . . . A 207 SER N . 25731 1 115 . 1 1 208 208 VAL H H 1 7.799 . . . . . . A 208 VAL H . 25731 1 116 . 1 1 208 208 VAL N N 15 128.351 . . . . . . A 208 VAL N . 25731 1 117 . 1 1 209 209 THR H H 1 9.742 . . . . . . A 209 THR H . 25731 1 118 . 1 1 209 209 THR N N 15 113.459 . . . . . . A 209 THR N . 25731 1 119 . 1 1 210 210 SER H H 1 7.630 . . . . . . A 210 SER H . 25731 1 120 . 1 1 210 210 SER N N 15 114.577 . . . . . . A 210 SER N . 25731 1 121 . 1 1 212 212 VAL H H 1 7.299 . . . . . . A 212 VAL H . 25731 1 122 . 1 1 212 212 VAL N N 15 119.189 . . . . . . A 212 VAL N . 25731 1 123 . 1 1 213 213 LYS H H 1 8.871 . . . . . . A 213 LYS H . 25731 1 124 . 1 1 213 213 LYS N N 15 124.796 . . . . . . A 213 LYS N . 25731 1 125 . 1 1 214 214 ASN H H 1 8.508 . . . . . . A 214 ASN H . 25731 1 126 . 1 1 214 214 ASN N N 15 118.397 . . . . . . A 214 ASN N . 25731 1 127 . 1 1 220 220 LEU H H 1 9.089 . . . . . . A 220 LEU H . 25731 1 128 . 1 1 220 220 LEU N N 15 130.815 . . . . . . A 220 LEU N . 25731 1 129 . 1 1 222 222 ALA H H 1 8.440 . . . . . . A 222 ALA H . 25731 1 130 . 1 1 222 222 ALA N N 15 128.761 . . . . . . A 222 ALA N . 25731 1 131 . 1 1 229 229 VAL H H 1 8.483 . . . . . . A 229 VAL H . 25731 1 132 . 1 1 229 229 VAL N N 15 123.649 . . . . . . A 229 VAL N . 25731 1 133 . 1 1 230 230 ASN H H 1 10.129 . . . . . . A 230 ASN H . 25731 1 134 . 1 1 230 230 ASN N N 15 124.668 . . . . . . A 230 ASN N . 25731 1 135 . 1 1 232 232 THR H H 1 7.786 . . . . . . A 232 THR H . 25731 1 136 . 1 1 232 232 THR N N 15 109.569 . . . . . . A 232 THR N . 25731 1 137 . 1 1 283 283 GLY H H 1 8.129 . . . . . . A 283 GLY H . 25731 1 138 . 1 1 283 283 GLY N N 15 107.398 . . . . . . A 283 GLY N . 25731 1 139 . 1 1 288 288 GLY H H 1 7.774 . . . . . . A 288 GLY H . 25731 1 140 . 1 1 288 288 GLY N N 15 106.551 . . . . . . A 288 GLY N . 25731 1 141 . 1 1 291 291 GLY H H 1 7.360 . . . . . . A 291 GLY H . 25731 1 142 . 1 1 291 291 GLY N N 15 106.112 . . . . . . A 291 GLY N . 25731 1 143 . 1 1 330 330 ILE H H 1 7.596 . . . . . . A 330 ILE H . 25731 1 144 . 1 1 330 330 ILE N N 15 125.891 . . . . . . A 330 ILE N . 25731 1 145 . 1 1 331 331 VAL H H 1 8.978 . . . . . . A 331 VAL H . 25731 1 146 . 1 1 331 331 VAL N N 15 130.011 . . . . . . A 331 VAL N . 25731 1 147 . 1 1 332 332 ARG H H 1 7.923 . . . . . . A 332 ARG H . 25731 1 148 . 1 1 332 332 ARG N N 15 128.386 . . . . . . A 332 ARG N . 25731 1 149 . 1 1 368 368 GLU H H 1 9.831 . . . . . . A 368 GLU H . 25731 1 150 . 1 1 368 368 GLU N N 15 120.295 . . . . . . A 368 GLU N . 25731 1 151 . 1 1 370 370 LEU H H 1 6.739 . . . . . . A 370 LEU H . 25731 1 152 . 1 1 370 370 LEU N N 15 121.704 . . . . . . A 370 LEU N . 25731 1 153 . 1 1 373 373 GLN H H 1 7.260 . . . . . . A 373 GLN H . 25731 1 154 . 1 1 373 373 GLN N N 15 115.819 . . . . . . A 373 GLN N . 25731 1 155 . 1 1 384 384 GLY H H 1 7.286 . . . . . . A 384 GLY H . 25731 1 156 . 1 1 384 384 GLY N N 15 106.461 . . . . . . A 384 GLY N . 25731 1 157 . 1 1 386 386 LEU H H 1 9.300 . . . . . . A 386 LEU H . 25731 1 158 . 1 1 386 386 LEU N N 15 126.834 . . . . . . A 386 LEU N . 25731 1 159 . 1 1 399 399 VAL H H 1 6.947 . . . . . . A 399 VAL H . 25731 1 160 . 1 1 399 399 VAL N N 15 117.218 . . . . . . A 399 VAL N . 25731 1 161 . 1 1 419 419 ALA H H 1 8.324 . . . . . . A 419 ALA H . 25731 1 162 . 1 1 419 419 ALA N N 15 125.187 . . . . . . A 419 ALA N . 25731 1 163 . 1 1 420 420 PHE H H 1 7.151 . . . . . . A 420 PHE H . 25731 1 164 . 1 1 420 420 PHE N N 15 110.844 . . . . . . A 420 PHE N . 25731 1 165 . 1 1 422 422 GLU H H 1 8.442 . . . . . . A 422 GLU H . 25731 1 166 . 1 1 422 422 GLU N N 15 127.390 . . . . . . A 422 GLU N . 25731 1 167 . 1 1 423 423 SER H H 1 8.591 . . . . . . A 423 SER H . 25731 1 168 . 1 1 423 423 SER N N 15 115.144 . . . . . . A 423 SER N . 25731 1 169 . 1 1 425 425 GLU H H 1 8.779 . . . . . . A 425 GLU H . 25731 1 170 . 1 1 425 425 GLU N N 15 128.863 . . . . . . A 425 GLU N . 25731 1 171 . 1 1 426 426 ILE H H 1 9.634 . . . . . . A 426 ILE H . 25731 1 172 . 1 1 426 426 ILE N N 15 122.399 . . . . . . A 426 ILE N . 25731 1 173 . 1 1 427 427 GLY H H 1 9.038 . . . . . . A 427 GLY H . 25731 1 174 . 1 1 427 427 GLY N N 15 116.513 . . . . . . A 427 GLY N . 25731 1 175 . 1 1 475 475 GLN H H 1 5.948 . . . . . . A 475 GLN H . 25731 1 176 . 1 1 475 475 GLN N N 15 126.671 . . . . . . A 475 GLN N . 25731 1 177 . 1 1 481 481 VAL H H 1 6.827 . . . . . . A 481 VAL H . 25731 1 178 . 1 1 481 481 VAL N N 15 123.573 . . . . . . A 481 VAL N . 25731 1 179 . 1 1 496 496 GLY H H 1 7.913 . . . . . . A 496 GLY H . 25731 1 180 . 1 1 496 496 GLY N N 15 108.132 . . . . . . A 496 GLY N . 25731 1 181 . 1 1 498 498 TRP H H 1 6.657 . . . . . . A 498 TRP H . 25731 1 182 . 1 1 498 498 TRP N N 15 114.239 . . . . . . A 498 TRP N . 25731 1 183 . 1 1 499 499 THR H H 1 9.872 . . . . . . A 499 THR H . 25731 1 184 . 1 1 499 499 THR N N 15 115.578 . . . . . . A 499 THR N . 25731 1 185 . 1 1 557 557 THR H H 1 6.536 . . . . . . A 557 THR H . 25731 1 186 . 1 1 557 557 THR N N 15 132.226 . . . . . . A 557 THR N . 25731 1 187 . 1 1 558 558 THR H H 1 9.116 . . . . . . A 558 THR H . 25731 1 188 . 1 1 558 558 THR N N 15 121.278 . . . . . . A 558 THR N . 25731 1 189 . 1 1 559 559 ASP H H 1 9.227 . . . . . . A 559 ASP H . 25731 1 190 . 1 1 559 559 ASP N N 15 121.304 . . . . . . A 559 ASP N . 25731 1 stop_ save_