data_7427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7427 _Entry.Title ; Yersinia pseudotuberculosis type III secretion effector YopE. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-17 _Entry.Accession_date 2008-07-17 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shifts for the Yersinia pseudotuberculosis type III secretion effector YopE. Data are provided for the intact effector in the free state and associated with the chaperone SycE. Data are also provided for a truncated construct consisting of the n-terminal YopE effector domain.' _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 Loren Rodgers . E. . 7427 2 Alicia Gamez . . . 7427 3 Roland Riek . . . 7427 4 Partho Ghosh . . . 7427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 129 7427 '1H chemical shifts' 129 7427 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 . . 2008-08-13 2008-07-17 original author . 7427 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15878 'SycE-YopE complex' 7427 BMRB 7426 'YopE free state' 7427 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7427 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18502763 _Citation.Full_citation . _Citation.Title 'The type III secretion chaperone SycE promotes a localized disorder-to-order transition in the natively unfolded effector YopE.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 30 _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 20857 _Citation.Page_last 20863 _Citation.Year 2008 _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 Loren Rodgers . E. . 7427 1 2 Alicia Gamez . . . 7427 1 3 Roland Riek . . . 7427 1 4 Partho Ghosh . . . 7427 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID effector 7427 1 plague 7427 1 SycE 7427 1 'type III secretion' 7427 1 yersinia 7427 1 YopE 7427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7427 _Assembly.ID 1 _Assembly.Name 'SycE-YopE complex' _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 'Heterotrimeric complex consisting of two SycE molecules and one YopE. In this study data are presented for YopE in the free and chaperone-associated states.' _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 YopE 1 $YopE A . no native no no . . . 7427 1 2 'YopE effector domain' 2 $YopE_effector_domain A . yes native no no . . . 7427 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 1hy5 . . X-ray 2.25 'Structure of the YopE effector domain.' . 7427 1 yes PDB 1JYA . . X-ray 1.74 'Structure for the free SycE that is bound to YopE in this study.' . 7427 1 yes PDB 1L2W . . X-ray 2.00 'Structure for a fragment of the SycE-YopE complex.' 'Crystal structure of SycE bound to a YopE fragment consisting of the chaperone-binding domain.' 7427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YopE _Entity.Sf_category entity _Entity.Sf_framecode YopE _Entity.Entry_ID 7427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YopE _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 ; MKISSFISTSLPLPTSVSGS SSVGEMSGRSVSQQTSDQYA NNLAGRTESPQGSSLASRII ERLSSVAHSVIGFIQRMFSE GSHKPVVTPAPTPAQMPSPT SFSDSIKQLAAETLPKYMQQ LNSLDAEMLQKNHDQFATGS GPLRGSITQCQGLMQFCGGE LQAEASAILNTPVCGIPFSQ WGTIGGAASAYVASGVDLTQ AANEIKGLAQQMQKLLSLML EHHHHHH ; _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 227 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24052.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 15878 . YopE . . . . . 99.33 227 98.65 98.65 4.57e-102 . . . . 7427 1 2 no BMRB 7426 . YopE . . . . . 99.33 227 100.00 100.00 6.62e-104 . . . . 7427 1 3 no EMBL CAA68609 . "unnamed protein product [Yersinia pseudotuberculosis]" . . . . . 93.96 219 98.57 98.57 8.47e-95 . . . . 7427 1 4 no EMBL CAB54883 . "putative outer membrane virulence protein [Yersinia pestis CO92]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 5 no EMBL CAF25368 . "putative outer membrane virulence protein [Yersinia pseudotuberculosis IP 32953]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 6 no GB AAA27672 . "virulence determinant (yopE) [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 7 no GB AAC62587 . "YopE [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 8 no GB AAC69818 . "targeted effector [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 9 no GB AAS58592 . "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 10 no GB ABG16295 . "outer membrane virulence protein [Yersinia pestis Antiqua]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 11 no REF NP_395143 . "putative outer membrane virulence protein [Yersinia pestis CO92]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 12 no REF NP_857762 . "YopE [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 13 no REF NP_857967 . "targeted effector [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 14 no REF NP_995401 . "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 15 no REF WP_002213405 . "outer membrane virulence protein YopE [Yersinia pestis]" . . . . . 93.96 154 100.00 100.00 6.86e-96 . . . . 7427 1 16 no SP P08008 . "RecName: Full=Outer membrane virulence protein YopE [Yersinia pseudotuberculosis IP 32953]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 1 17 no SP P31493 . "RecName: Full=Outer membrane virulence protein YopE [Yersinia pestis]" . . . . . 93.96 219 100.00 100.00 1.55e-96 . . . . 7427 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 . MET . 7427 1 2 . LYS . 7427 1 3 . ILE . 7427 1 4 . SER . 7427 1 5 . SER . 7427 1 6 . PHE . 7427 1 7 . ILE . 7427 1 8 . SER . 7427 1 9 . THR . 7427 1 10 . SER . 7427 1 11 . LEU . 7427 1 12 . PRO . 7427 1 13 . LEU . 7427 1 14 . PRO . 7427 1 15 . THR . 7427 1 16 . SER . 7427 1 17 . VAL . 7427 1 18 . SER . 7427 1 19 . GLY . 7427 1 20 . SER . 7427 1 21 . SER . 7427 1 22 . SER . 7427 1 23 . VAL . 7427 1 24 . GLY . 7427 1 25 . GLU . 7427 1 26 . MET . 7427 1 27 . SER . 7427 1 28 . GLY . 7427 1 29 . ARG . 7427 1 30 . SER . 7427 1 31 . VAL . 7427 1 32 . SER . 7427 1 33 . GLN . 7427 1 34 . GLN . 7427 1 35 . THR . 7427 1 36 . SER . 7427 1 37 . ASP . 7427 1 38 . GLN . 7427 1 39 . TYR . 7427 1 40 . ALA . 7427 1 41 . ASN . 7427 1 42 . ASN . 7427 1 43 . LEU . 7427 1 44 . ALA . 7427 1 45 . GLY . 7427 1 46 . ARG . 7427 1 47 . THR . 7427 1 48 . GLU . 7427 1 49 . SER . 7427 1 50 . PRO . 7427 1 51 . GLN . 7427 1 52 . GLY . 7427 1 53 . SER . 7427 1 54 . SER . 7427 1 55 . LEU . 7427 1 56 . ALA . 7427 1 57 . SER . 7427 1 58 . ARG . 7427 1 59 . ILE . 7427 1 60 . ILE . 7427 1 61 . GLU . 7427 1 62 . ARG . 7427 1 63 . LEU . 7427 1 64 . SER . 7427 1 65 . SER . 7427 1 66 . VAL . 7427 1 67 . ALA . 7427 1 68 . HIS . 7427 1 69 . SER . 7427 1 70 . VAL . 7427 1 71 . ILE . 7427 1 72 . GLY . 7427 1 73 . PHE . 7427 1 74 . ILE . 7427 1 75 . GLN . 7427 1 76 . ARG . 7427 1 77 . MET . 7427 1 78 . PHE . 7427 1 79 . SER . 7427 1 80 . GLU . 7427 1 81 . GLY . 7427 1 82 . SER . 7427 1 83 . HIS . 7427 1 84 . LYS . 7427 1 85 . PRO . 7427 1 86 . VAL . 7427 1 87 . VAL . 7427 1 88 . THR . 7427 1 89 . PRO . 7427 1 90 . ALA . 7427 1 91 . PRO . 7427 1 92 . THR . 7427 1 93 . PRO . 7427 1 94 . ALA . 7427 1 95 . GLN . 7427 1 96 . MET . 7427 1 97 . PRO . 7427 1 98 . SER . 7427 1 99 . PRO . 7427 1 100 . THR . 7427 1 101 . SER . 7427 1 102 . PHE . 7427 1 103 . SER . 7427 1 104 . ASP . 7427 1 105 . SER . 7427 1 106 . ILE . 7427 1 107 . LYS . 7427 1 108 . GLN . 7427 1 109 . LEU . 7427 1 110 . ALA . 7427 1 111 . ALA . 7427 1 112 . GLU . 7427 1 113 . THR . 7427 1 114 . LEU . 7427 1 115 . PRO . 7427 1 116 . LYS . 7427 1 117 . TYR . 7427 1 118 . MET . 7427 1 119 . GLN . 7427 1 120 . GLN . 7427 1 121 . LEU . 7427 1 122 . ASN . 7427 1 123 . SER . 7427 1 124 . LEU . 7427 1 125 . ASP . 7427 1 126 . ALA . 7427 1 127 . GLU . 7427 1 128 . MET . 7427 1 129 . LEU . 7427 1 130 . GLN . 7427 1 131 . LYS . 7427 1 132 . ASN . 7427 1 133 . HIS . 7427 1 134 . ASP . 7427 1 135 . GLN . 7427 1 136 . PHE . 7427 1 137 . ALA . 7427 1 138 . THR . 7427 1 139 . GLY . 7427 1 140 . SER . 7427 1 141 . GLY . 7427 1 142 . PRO . 7427 1 143 . LEU . 7427 1 144 . ARG . 7427 1 145 . GLY . 7427 1 146 . SER . 7427 1 147 . ILE . 7427 1 148 . THR . 7427 1 149 . GLN . 7427 1 150 . CYS . 7427 1 151 . GLN . 7427 1 152 . GLY . 7427 1 153 . LEU . 7427 1 154 . MET . 7427 1 155 . GLN . 7427 1 156 . PHE . 7427 1 157 . CYS . 7427 1 158 . GLY . 7427 1 159 . GLY . 7427 1 160 . GLU . 7427 1 161 . LEU . 7427 1 162 . GLN . 7427 1 163 . ALA . 7427 1 164 . GLU . 7427 1 165 . ALA . 7427 1 166 . SER . 7427 1 167 . ALA . 7427 1 168 . ILE . 7427 1 169 . LEU . 7427 1 170 . ASN . 7427 1 171 . THR . 7427 1 172 . PRO . 7427 1 173 . VAL . 7427 1 174 . CYS . 7427 1 175 . GLY . 7427 1 176 . ILE . 7427 1 177 . PRO . 7427 1 178 . PHE . 7427 1 179 . SER . 7427 1 180 . GLN . 7427 1 181 . TRP . 7427 1 182 . GLY . 7427 1 183 . THR . 7427 1 184 . ILE . 7427 1 185 . GLY . 7427 1 186 . GLY . 7427 1 187 . ALA . 7427 1 188 . ALA . 7427 1 189 . SER . 7427 1 190 . ALA . 7427 1 191 . TYR . 7427 1 192 . VAL . 7427 1 193 . ALA . 7427 1 194 . SER . 7427 1 195 . GLY . 7427 1 196 . VAL . 7427 1 197 . ASP . 7427 1 198 . LEU . 7427 1 199 . THR . 7427 1 200 . GLN . 7427 1 201 . ALA . 7427 1 202 . ALA . 7427 1 203 . ASN . 7427 1 204 . GLU . 7427 1 205 . ILE . 7427 1 206 . LYS . 7427 1 207 . GLY . 7427 1 208 . LEU . 7427 1 209 . ALA . 7427 1 210 . GLN . 7427 1 211 . GLN . 7427 1 212 . MET . 7427 1 213 . GLN . 7427 1 214 . LYS . 7427 1 215 . LEU . 7427 1 216 . LEU . 7427 1 217 . SER . 7427 1 218 . LEU . 7427 1 219 . MET . 7427 1 220 . LEU . 7427 1 221 . GLU . 7427 1 222 . HIS . 7427 1 223 . HIS . 7427 1 224 . HIS . 7427 1 225 . HIS . 7427 1 226 . HIS . 7427 1 227 . HIS . 7427 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 7427 1 . LYS 2 2 7427 1 . ILE 3 3 7427 1 . SER 4 4 7427 1 . SER 5 5 7427 1 . PHE 6 6 7427 1 . ILE 7 7 7427 1 . SER 8 8 7427 1 . THR 9 9 7427 1 . SER 10 10 7427 1 . LEU 11 11 7427 1 . PRO 12 12 7427 1 . LEU 13 13 7427 1 . PRO 14 14 7427 1 . THR 15 15 7427 1 . SER 16 16 7427 1 . VAL 17 17 7427 1 . SER 18 18 7427 1 . GLY 19 19 7427 1 . SER 20 20 7427 1 . SER 21 21 7427 1 . SER 22 22 7427 1 . VAL 23 23 7427 1 . GLY 24 24 7427 1 . GLU 25 25 7427 1 . MET 26 26 7427 1 . SER 27 27 7427 1 . GLY 28 28 7427 1 . ARG 29 29 7427 1 . SER 30 30 7427 1 . VAL 31 31 7427 1 . SER 32 32 7427 1 . GLN 33 33 7427 1 . GLN 34 34 7427 1 . THR 35 35 7427 1 . SER 36 36 7427 1 . ASP 37 37 7427 1 . GLN 38 38 7427 1 . TYR 39 39 7427 1 . ALA 40 40 7427 1 . ASN 41 41 7427 1 . ASN 42 42 7427 1 . LEU 43 43 7427 1 . ALA 44 44 7427 1 . GLY 45 45 7427 1 . ARG 46 46 7427 1 . THR 47 47 7427 1 . GLU 48 48 7427 1 . SER 49 49 7427 1 . PRO 50 50 7427 1 . GLN 51 51 7427 1 . GLY 52 52 7427 1 . SER 53 53 7427 1 . SER 54 54 7427 1 . LEU 55 55 7427 1 . ALA 56 56 7427 1 . SER 57 57 7427 1 . ARG 58 58 7427 1 . ILE 59 59 7427 1 . ILE 60 60 7427 1 . GLU 61 61 7427 1 . ARG 62 62 7427 1 . LEU 63 63 7427 1 . SER 64 64 7427 1 . SER 65 65 7427 1 . VAL 66 66 7427 1 . ALA 67 67 7427 1 . HIS 68 68 7427 1 . SER 69 69 7427 1 . VAL 70 70 7427 1 . ILE 71 71 7427 1 . GLY 72 72 7427 1 . PHE 73 73 7427 1 . ILE 74 74 7427 1 . GLN 75 75 7427 1 . ARG 76 76 7427 1 . MET 77 77 7427 1 . PHE 78 78 7427 1 . SER 79 79 7427 1 . GLU 80 80 7427 1 . GLY 81 81 7427 1 . SER 82 82 7427 1 . HIS 83 83 7427 1 . LYS 84 84 7427 1 . PRO 85 85 7427 1 . VAL 86 86 7427 1 . VAL 87 87 7427 1 . THR 88 88 7427 1 . PRO 89 89 7427 1 . ALA 90 90 7427 1 . PRO 91 91 7427 1 . THR 92 92 7427 1 . PRO 93 93 7427 1 . ALA 94 94 7427 1 . GLN 95 95 7427 1 . MET 96 96 7427 1 . PRO 97 97 7427 1 . SER 98 98 7427 1 . PRO 99 99 7427 1 . THR 100 100 7427 1 . SER 101 101 7427 1 . PHE 102 102 7427 1 . SER 103 103 7427 1 . ASP 104 104 7427 1 . SER 105 105 7427 1 . ILE 106 106 7427 1 . LYS 107 107 7427 1 . GLN 108 108 7427 1 . LEU 109 109 7427 1 . ALA 110 110 7427 1 . ALA 111 111 7427 1 . GLU 112 112 7427 1 . THR 113 113 7427 1 . LEU 114 114 7427 1 . PRO 115 115 7427 1 . LYS 116 116 7427 1 . TYR 117 117 7427 1 . MET 118 118 7427 1 . GLN 119 119 7427 1 . GLN 120 120 7427 1 . LEU 121 121 7427 1 . ASN 122 122 7427 1 . SER 123 123 7427 1 . LEU 124 124 7427 1 . ASP 125 125 7427 1 . ALA 126 126 7427 1 . GLU 127 127 7427 1 . MET 128 128 7427 1 . LEU 129 129 7427 1 . GLN 130 130 7427 1 . LYS 131 131 7427 1 . ASN 132 132 7427 1 . HIS 133 133 7427 1 . ASP 134 134 7427 1 . GLN 135 135 7427 1 . PHE 136 136 7427 1 . ALA 137 137 7427 1 . THR 138 138 7427 1 . GLY 139 139 7427 1 . SER 140 140 7427 1 . GLY 141 141 7427 1 . PRO 142 142 7427 1 . LEU 143 143 7427 1 . ARG 144 144 7427 1 . GLY 145 145 7427 1 . SER 146 146 7427 1 . ILE 147 147 7427 1 . THR 148 148 7427 1 . GLN 149 149 7427 1 . CYS 150 150 7427 1 . GLN 151 151 7427 1 . GLY 152 152 7427 1 . LEU 153 153 7427 1 . MET 154 154 7427 1 . GLN 155 155 7427 1 . PHE 156 156 7427 1 . CYS 157 157 7427 1 . GLY 158 158 7427 1 . GLY 159 159 7427 1 . GLU 160 160 7427 1 . LEU 161 161 7427 1 . GLN 162 162 7427 1 . ALA 163 163 7427 1 . GLU 164 164 7427 1 . ALA 165 165 7427 1 . SER 166 166 7427 1 . ALA 167 167 7427 1 . ILE 168 168 7427 1 . LEU 169 169 7427 1 . ASN 170 170 7427 1 . THR 171 171 7427 1 . PRO 172 172 7427 1 . VAL 173 173 7427 1 . CYS 174 174 7427 1 . GLY 175 175 7427 1 . ILE 176 176 7427 1 . PRO 177 177 7427 1 . PHE 178 178 7427 1 . SER 179 179 7427 1 . GLN 180 180 7427 1 . TRP 181 181 7427 1 . GLY 182 182 7427 1 . THR 183 183 7427 1 . ILE 184 184 7427 1 . GLY 185 185 7427 1 . GLY 186 186 7427 1 . ALA 187 187 7427 1 . ALA 188 188 7427 1 . SER 189 189 7427 1 . ALA 190 190 7427 1 . TYR 191 191 7427 1 . VAL 192 192 7427 1 . ALA 193 193 7427 1 . SER 194 194 7427 1 . GLY 195 195 7427 1 . VAL 196 196 7427 1 . ASP 197 197 7427 1 . LEU 198 198 7427 1 . THR 199 199 7427 1 . GLN 200 200 7427 1 . ALA 201 201 7427 1 . ALA 202 202 7427 1 . ASN 203 203 7427 1 . GLU 204 204 7427 1 . ILE 205 205 7427 1 . LYS 206 206 7427 1 . GLY 207 207 7427 1 . LEU 208 208 7427 1 . ALA 209 209 7427 1 . GLN 210 210 7427 1 . GLN 211 211 7427 1 . MET 212 212 7427 1 . GLN 213 213 7427 1 . LYS 214 214 7427 1 . LEU 215 215 7427 1 . LEU 216 216 7427 1 . SER 217 217 7427 1 . LEU 218 218 7427 1 . MET 219 219 7427 1 . LEU 220 220 7427 1 . GLU 221 221 7427 1 . HIS 222 222 7427 1 . HIS 223 223 7427 1 . HIS 224 224 7427 1 . HIS 225 225 7427 1 . HIS 226 226 7427 1 . HIS 227 227 7427 1 stop_ save_ save_YopE_effector_domain _Entity.Sf_category entity _Entity.Sf_framecode YopE_effector_domain _Entity.Entry_ID 7427 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name YopE_effector_domain _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 ; MEGSHKPVVTPAPTPAQMPS PTSFSDSIKQLAAETLPKYM QQLNSLDAEMLQKNHDQFAT GSGPLRGSITQCQGLMQFCG GELQAEASAILNTPVCGIPF SQWGTIGGAASAYVASGVDL TQAANEIKGLAQQMQKLLSL MLEHHHHHH ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'YopE effector domain (Rho-GAP activity).' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15876.0 _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 79 MET . 7427 2 2 80 GLU . 7427 2 3 81 GLY . 7427 2 4 82 SER . 7427 2 5 83 HIS . 7427 2 6 84 LYS . 7427 2 7 85 PRO . 7427 2 8 86 VAL . 7427 2 9 87 VAL . 7427 2 10 88 THR . 7427 2 11 89 PRO . 7427 2 12 90 ALA . 7427 2 13 91 PRO . 7427 2 14 92 THR . 7427 2 15 93 PRO . 7427 2 16 94 ALA . 7427 2 17 95 GLN . 7427 2 18 96 MET . 7427 2 19 97 PRO . 7427 2 20 98 SER . 7427 2 21 99 PRO . 7427 2 22 100 THR . 7427 2 23 101 SER . 7427 2 24 102 PHE . 7427 2 25 103 SER . 7427 2 26 104 ASP . 7427 2 27 105 SER . 7427 2 28 106 ILE . 7427 2 29 107 LYS . 7427 2 30 108 GLN . 7427 2 31 109 LEU . 7427 2 32 110 ALA . 7427 2 33 111 ALA . 7427 2 34 112 GLU . 7427 2 35 113 THR . 7427 2 36 114 LEU . 7427 2 37 115 PRO . 7427 2 38 116 LYS . 7427 2 39 117 TYR . 7427 2 40 118 MET . 7427 2 41 119 GLN . 7427 2 42 120 GLN . 7427 2 43 121 LEU . 7427 2 44 122 ASN . 7427 2 45 123 SER . 7427 2 46 124 LEU . 7427 2 47 125 ASP . 7427 2 48 126 ALA . 7427 2 49 127 GLU . 7427 2 50 128 MET . 7427 2 51 129 LEU . 7427 2 52 130 GLN . 7427 2 53 131 LYS . 7427 2 54 132 ASN . 7427 2 55 133 HIS . 7427 2 56 134 ASP . 7427 2 57 135 GLN . 7427 2 58 136 PHE . 7427 2 59 137 ALA . 7427 2 60 138 THR . 7427 2 61 139 GLY . 7427 2 62 140 SER . 7427 2 63 141 GLY . 7427 2 64 142 PRO . 7427 2 65 143 LEU . 7427 2 66 144 ARG . 7427 2 67 145 GLY . 7427 2 68 146 SER . 7427 2 69 147 ILE . 7427 2 70 148 THR . 7427 2 71 149 GLN . 7427 2 72 150 CYS . 7427 2 73 151 GLN . 7427 2 74 152 GLY . 7427 2 75 153 LEU . 7427 2 76 154 MET . 7427 2 77 155 GLN . 7427 2 78 156 PHE . 7427 2 79 157 CYS . 7427 2 80 158 GLY . 7427 2 81 159 GLY . 7427 2 82 160 GLU . 7427 2 83 161 LEU . 7427 2 84 162 GLN . 7427 2 85 163 ALA . 7427 2 86 164 GLU . 7427 2 87 165 ALA . 7427 2 88 166 SER . 7427 2 89 167 ALA . 7427 2 90 168 ILE . 7427 2 91 169 LEU . 7427 2 92 170 ASN . 7427 2 93 171 THR . 7427 2 94 172 PRO . 7427 2 95 173 VAL . 7427 2 96 174 CYS . 7427 2 97 175 GLY . 7427 2 98 176 ILE . 7427 2 99 177 PRO . 7427 2 100 178 PHE . 7427 2 101 179 SER . 7427 2 102 180 GLN . 7427 2 103 181 TRP . 7427 2 104 182 GLY . 7427 2 105 183 THR . 7427 2 106 184 ILE . 7427 2 107 185 GLY . 7427 2 108 186 GLY . 7427 2 109 187 ALA . 7427 2 110 188 ALA . 7427 2 111 189 SER . 7427 2 112 190 ALA . 7427 2 113 191 TYR . 7427 2 114 192 VAL . 7427 2 115 193 ALA . 7427 2 116 194 SER . 7427 2 117 195 GLY . 7427 2 118 196 VAL . 7427 2 119 197 ASP . 7427 2 120 198 LEU . 7427 2 121 199 THR . 7427 2 122 200 GLN . 7427 2 123 201 ALA . 7427 2 124 202 ALA . 7427 2 125 203 ASN . 7427 2 126 204 GLU . 7427 2 127 205 ILE . 7427 2 128 206 LYS . 7427 2 129 207 GLY . 7427 2 130 208 LEU . 7427 2 131 209 ALA . 7427 2 132 210 GLN . 7427 2 133 211 GLN . 7427 2 134 212 MET . 7427 2 135 213 GLN . 7427 2 136 214 LYS . 7427 2 137 215 LEU . 7427 2 138 216 LEU . 7427 2 139 217 SER . 7427 2 140 218 LEU . 7427 2 141 219 MET . 7427 2 142 220 LEU . 7427 2 143 221 GLU . 7427 2 144 222 HIS . 7427 2 145 223 HIS . 7427 2 146 224 HIS . 7427 2 147 225 HIS . 7427 2 148 226 HIS . 7427 2 149 227 HIS . 7427 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 7427 2 . GLU 2 2 7427 2 . GLY 3 3 7427 2 . SER 4 4 7427 2 . HIS 5 5 7427 2 . LYS 6 6 7427 2 . PRO 7 7 7427 2 . VAL 8 8 7427 2 . VAL 9 9 7427 2 . THR 10 10 7427 2 . PRO 11 11 7427 2 . ALA 12 12 7427 2 . PRO 13 13 7427 2 . THR 14 14 7427 2 . PRO 15 15 7427 2 . ALA 16 16 7427 2 . GLN 17 17 7427 2 . MET 18 18 7427 2 . PRO 19 19 7427 2 . SER 20 20 7427 2 . PRO 21 21 7427 2 . THR 22 22 7427 2 . SER 23 23 7427 2 . PHE 24 24 7427 2 . SER 25 25 7427 2 . ASP 26 26 7427 2 . SER 27 27 7427 2 . ILE 28 28 7427 2 . LYS 29 29 7427 2 . GLN 30 30 7427 2 . LEU 31 31 7427 2 . ALA 32 32 7427 2 . ALA 33 33 7427 2 . GLU 34 34 7427 2 . THR 35 35 7427 2 . LEU 36 36 7427 2 . PRO 37 37 7427 2 . LYS 38 38 7427 2 . TYR 39 39 7427 2 . MET 40 40 7427 2 . GLN 41 41 7427 2 . GLN 42 42 7427 2 . LEU 43 43 7427 2 . ASN 44 44 7427 2 . SER 45 45 7427 2 . LEU 46 46 7427 2 . ASP 47 47 7427 2 . ALA 48 48 7427 2 . GLU 49 49 7427 2 . MET 50 50 7427 2 . LEU 51 51 7427 2 . GLN 52 52 7427 2 . LYS 53 53 7427 2 . ASN 54 54 7427 2 . HIS 55 55 7427 2 . ASP 56 56 7427 2 . GLN 57 57 7427 2 . PHE 58 58 7427 2 . ALA 59 59 7427 2 . THR 60 60 7427 2 . GLY 61 61 7427 2 . SER 62 62 7427 2 . GLY 63 63 7427 2 . PRO 64 64 7427 2 . LEU 65 65 7427 2 . ARG 66 66 7427 2 . GLY 67 67 7427 2 . SER 68 68 7427 2 . ILE 69 69 7427 2 . THR 70 70 7427 2 . GLN 71 71 7427 2 . CYS 72 72 7427 2 . GLN 73 73 7427 2 . GLY 74 74 7427 2 . LEU 75 75 7427 2 . MET 76 76 7427 2 . GLN 77 77 7427 2 . PHE 78 78 7427 2 . CYS 79 79 7427 2 . GLY 80 80 7427 2 . GLY 81 81 7427 2 . GLU 82 82 7427 2 . LEU 83 83 7427 2 . GLN 84 84 7427 2 . ALA 85 85 7427 2 . GLU 86 86 7427 2 . ALA 87 87 7427 2 . SER 88 88 7427 2 . ALA 89 89 7427 2 . ILE 90 90 7427 2 . LEU 91 91 7427 2 . ASN 92 92 7427 2 . THR 93 93 7427 2 . PRO 94 94 7427 2 . VAL 95 95 7427 2 . CYS 96 96 7427 2 . GLY 97 97 7427 2 . ILE 98 98 7427 2 . PRO 99 99 7427 2 . PHE 100 100 7427 2 . SER 101 101 7427 2 . GLN 102 102 7427 2 . TRP 103 103 7427 2 . GLY 104 104 7427 2 . THR 105 105 7427 2 . ILE 106 106 7427 2 . GLY 107 107 7427 2 . GLY 108 108 7427 2 . ALA 109 109 7427 2 . ALA 110 110 7427 2 . SER 111 111 7427 2 . ALA 112 112 7427 2 . TYR 113 113 7427 2 . VAL 114 114 7427 2 . ALA 115 115 7427 2 . SER 116 116 7427 2 . GLY 117 117 7427 2 . VAL 118 118 7427 2 . ASP 119 119 7427 2 . LEU 120 120 7427 2 . THR 121 121 7427 2 . GLN 122 122 7427 2 . ALA 123 123 7427 2 . ALA 124 124 7427 2 . ASN 125 125 7427 2 . GLU 126 126 7427 2 . ILE 127 127 7427 2 . LYS 128 128 7427 2 . GLY 129 129 7427 2 . LEU 130 130 7427 2 . ALA 131 131 7427 2 . GLN 132 132 7427 2 . GLN 133 133 7427 2 . MET 134 134 7427 2 . GLN 135 135 7427 2 . LYS 136 136 7427 2 . LEU 137 137 7427 2 . LEU 138 138 7427 2 . SER 139 139 7427 2 . LEU 140 140 7427 2 . MET 141 141 7427 2 . LEU 142 142 7427 2 . GLU 143 143 7427 2 . HIS 144 144 7427 2 . HIS 145 145 7427 2 . HIS 146 146 7427 2 . HIS 147 147 7427 2 . HIS 148 148 7427 2 . HIS 149 149 7427 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 7427 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $YopE . 633 organism . 'Yersinia pseudotuberculosis' 'Yersinia pseudotuberculosis' . . Bacteria . Yersinia pseudotuberculosis 126 . . . . . . . . . . . . . . . . . . . . 7427 1 2 2 $YopE_effector_domain . 633 organism . 'Yersinia pseudotuberculosis' 'Yersinia pseudotuberculosis' . . Bacteria . Yersinia pseudotuberculosis 126 . . . . . . . . . . . . . . . . . . . . 7427 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 7427 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $YopE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . . . . . . . . . . . pET28b . . . . . . 7427 1 2 2 $YopE_effector_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . . . . . . . . . . . pET28b . . . . . . 7427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_YopE_effector_domain_sample _Sample.Sf_category sample _Sample.Sf_framecode YopE_effector_domain_sample _Sample.Entry_ID 7427 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Contains the natively folded YopE effector domain. Concentration given refers to an assumed monomer.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 YopE '[U-95% 15N]' . . 1 $YopE . . 2.8 . . mM . . . . 7427 1 2 D2O '[U-99.9% 2H]' . . . . . . 5 . . % . . . . 7427 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 7427 1 4 'sodium phosphate pH6.1' 'natural abundance' . . . . . . 45 . . mM . . . . 7427 1 stop_ save_ ####################### # Sample conditions # ####################### save_all_samples _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode all_samples _Sample_condition_list.Entry_ID 7427 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'All samples were analyzed in the following conditions.' 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 pH 6.1 . pH 7427 1 pressure 1 . atm 7427 1 temperature 298 . K 7427 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7427 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 7427 1 'Keller and Wuthrich' . . 7427 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 7427 1 'chemical shift calculation' 7427 1 'data analysis' 7427 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_700 _NMR_spectrometer.Entry_ID 7427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'A cryoprobe was used.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 7427 _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 'Bruker 700' Bruker Avance . 700 'A cryoprobe was used.' . . 7427 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 7427 _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 $YopE_effector_domain_sample isotropic . . 1 $all_samples . . . 1 $Bruker_700 . . . . . . . . . . . . . . . . 7427 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 7427 _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 1.0 . . . . . . . . . 7427 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_YopE_effector_domain_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode YopE_effector_domain_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $all_samples _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' . . . 7427 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 . 2 2 3 3 GLY H H 1 8.401 . . . . . . . 81 GLY H . 7427 1 2 . 2 2 3 3 GLY N N 15 111.04 . . . . . . . 81 GLY N . 7427 1 3 . 2 2 4 4 SER H H 1 7.994 . . . . . . . 82 SER H . 7427 1 4 . 2 2 4 4 SER N N 15 116.064 . . . . . . . 82 SER N . 7427 1 5 . 2 2 8 8 VAL H H 1 8.133 . . . . . . . 86 VAL H . 7427 1 6 . 2 2 8 8 VAL N N 15 121.822 . . . . . . . 86 VAL N . 7427 1 7 . 2 2 9 9 VAL H H 1 8.092 . . . . . . . 87 VAL H . 7427 1 8 . 2 2 9 9 VAL N N 15 125.493 . . . . . . . 87 VAL N . 7427 1 9 . 2 2 10 10 THR H H 1 8.2 . . . . . . . 88 THR H . 7427 1 10 . 2 2 10 10 THR N N 15 122.787 . . . . . . . 88 THR N . 7427 1 11 . 2 2 12 12 ALA H H 1 8.375 . . . . . . . 90 ALA H . 7427 1 12 . 2 2 12 12 ALA N N 15 125.7 . . . . . . . 90 ALA N . 7427 1 13 . 2 2 14 14 THR H H 1 8.106 . . . . . . . 92 THR H . 7427 1 14 . 2 2 14 14 THR N N 15 117.473 . . . . . . . 92 THR N . 7427 1 15 . 2 2 16 16 ALA H H 1 8.14 . . . . . . . 94 ALA H . 7427 1 16 . 2 2 16 16 ALA N N 15 124.276 . . . . . . . 94 ALA N . 7427 1 17 . 2 2 17 17 GLN H H 1 8.084 . . . . . . . 95 GLN H . 7427 1 18 . 2 2 17 17 GLN N N 15 119.618 . . . . . . . 95 GLN N . 7427 1 19 . 2 2 18 18 MET H H 1 8.203 . . . . . . . 96 MET H . 7427 1 20 . 2 2 18 18 MET N N 15 123.664 . . . . . . . 96 MET N . 7427 1 21 . 2 2 20 20 SER H H 1 8.308 . . . . . . . 98 SER H . 7427 1 22 . 2 2 20 20 SER N N 15 118.019 . . . . . . . 98 SER N . 7427 1 23 . 2 2 22 22 THR H H 1 8.035 . . . . . . . 100 THR H . 7427 1 24 . 2 2 22 22 THR N N 15 113.979 . . . . . . . 100 THR N . 7427 1 25 . 2 2 23 23 SER H H 1 8.238 . . . . . . . 101 SER H . 7427 1 26 . 2 2 23 23 SER N N 15 119.068 . . . . . . . 101 SER N . 7427 1 27 . 2 2 24 24 PHE H H 1 8.42 . . . . . . . 102 PHE H . 7427 1 28 . 2 2 24 24 PHE N N 15 124.399 . . . . . . . 102 PHE N . 7427 1 29 . 2 2 25 25 SER H H 1 8.266 . . . . . . . 103 SER H . 7427 1 30 . 2 2 25 25 SER N N 15 114.709 . . . . . . . 103 SER N . 7427 1 31 . 2 2 26 26 ASP H H 1 7.958 . . . . . . . 104 ASP H . 7427 1 32 . 2 2 26 26 ASP N N 15 121.273 . . . . . . . 104 ASP N . 7427 1 33 . 2 2 27 27 SER H H 1 7.769 . . . . . . . 105 SER H . 7427 1 34 . 2 2 27 27 SER N N 15 117.719 . . . . . . . 105 SER N . 7427 1 35 . 2 2 28 28 ILE H H 1 7.517 . . . . . . . 106 ILE H . 7427 1 36 . 2 2 28 28 ILE N N 15 124.396 . . . . . . . 106 ILE N . 7427 1 37 . 2 2 29 29 LYS H H 1 7.825 . . . . . . . 107 LYS H . 7427 1 38 . 2 2 29 29 LYS N N 15 121.086 . . . . . . . 107 LYS N . 7427 1 39 . 2 2 30 30 GLN H H 1 7.846 . . . . . . . 108 GLN H . 7427 1 40 . 2 2 30 30 GLN N N 15 119.007 . . . . . . . 108 GLN N . 7427 1 41 . 2 2 31 31 LEU H H 1 7.63 . . . . . . . 109 LEU H . 7427 1 42 . 2 2 31 31 LEU N N 15 120.168 . . . . . . . 109 LEU N . 7427 1 43 . 2 2 32 32 ALA H H 1 8.119 . . . . . . . 110 ALA H . 7427 1 44 . 2 2 32 32 ALA N N 15 124.764 . . . . . . . 110 ALA N . 7427 1 45 . 2 2 33 33 ALA H H 1 8.273 . . . . . . . 111 ALA H . 7427 1 46 . 2 2 33 33 ALA N N 15 120.353 . . . . . . . 111 ALA N . 7427 1 47 . 2 2 34 34 GLU H H 1 7.335 . . . . . . . 112 GLU H . 7427 1 48 . 2 2 34 34 GLU N N 15 113.793 . . . . . . . 112 GLU N . 7427 1 49 . 2 2 35 35 THR H H 1 7.72 . . . . . . . 113 THR H . 7427 1 50 . 2 2 35 35 THR N N 15 110.604 . . . . . . . 113 THR N . 7427 1 51 . 2 2 36 36 LEU H H 1 8.609 . . . . . . . 114 LEU H . 7427 1 52 . 2 2 36 36 LEU N N 15 122.499 . . . . . . . 114 LEU N . 7427 1 53 . 2 2 38 38 LYS H H 1 6.923 . . . . . . . 116 LYS H . 7427 1 54 . 2 2 38 38 LYS N N 15 116.734 . . . . . . . 116 LYS N . 7427 1 55 . 2 2 39 39 TYR H H 1 7.091 . . . . . . . 117 TYR H . 7427 1 56 . 2 2 39 39 TYR N N 15 119.493 . . . . . . . 117 TYR N . 7427 1 57 . 2 2 40 40 MET H H 1 8.909 . . . . . . . 118 MET H . 7427 1 58 . 2 2 40 40 MET N N 15 118.696 . . . . . . . 118 MET N . 7427 1 59 . 2 2 41 41 GLN H H 1 7.497 . . . . . . . 119 GLN H . 7427 1 60 . 2 2 41 41 GLN N N 15 117.843 . . . . . . . 119 GLN N . 7427 1 61 . 2 2 42 42 GLN H H 1 7.322 . . . . . . . 120 GLN H . 7427 1 62 . 2 2 42 42 GLN N N 15 117.411 . . . . . . . 120 GLN N . 7427 1 63 . 2 2 43 43 LEU H H 1 8.07 . . . . . . . 121 LEU H . 7427 1 64 . 2 2 43 43 LEU N N 15 118.759 . . . . . . . 121 LEU N . 7427 1 65 . 2 2 44 44 ASN H H 1 7.79 . . . . . . . 122 ASN H . 7427 1 66 . 2 2 44 44 ASN N N 15 114.958 . . . . . . . 122 ASN N . 7427 1 67 . 2 2 45 45 SER H H 1 7.202 . . . . . . . 123 SER H . 7427 1 68 . 2 2 45 45 SER N N 15 112.139 . . . . . . . 123 SER N . 7427 1 69 . 2 2 46 46 LEU H H 1 7.007 . . . . . . . 124 LEU H . 7427 1 70 . 2 2 46 46 LEU N N 15 121.883 . . . . . . . 124 LEU N . 7427 1 71 . 2 2 47 47 ASP H H 1 6.888 . . . . . . . 125 ASP H . 7427 1 72 . 2 2 47 47 ASP N N 15 119.127 . . . . . . . 125 ASP N . 7427 1 73 . 2 2 48 48 ALA H H 1 8.637 . . . . . . . 126 ALA H . 7427 1 74 . 2 2 48 48 ALA N N 15 121.456 . . . . . . . 126 ALA N . 7427 1 75 . 2 2 49 49 GLU H H 1 7.916 . . . . . . . 127 GLU H . 7427 1 76 . 2 2 49 49 GLU N N 15 118.392 . . . . . . . 127 GLU N . 7427 1 77 . 2 2 50 50 MET H H 1 8.65 . . . . . . . 128 MET H . 7427 1 78 . 2 2 50 50 MET N N 15 119.371 . . . . . . . 128 MET N . 7427 1 79 . 2 2 51 51 LEU H H 1 8.175 . . . . . . . 129 LEU H . 7427 1 80 . 2 2 51 51 LEU N N 15 119.677 . . . . . . . 129 LEU N . 7427 1 81 . 2 2 52 52 GLN H H 1 8.091 . . . . . . . 130 GLN H . 7427 1 82 . 2 2 52 52 GLN N N 15 117.715 . . . . . . . 130 GLN N . 7427 1 83 . 2 2 53 53 LYS H H 1 7.881 . . . . . . . 131 LYS H . 7427 1 84 . 2 2 53 53 LYS N N 15 114.652 . . . . . . . 131 LYS N . 7427 1 85 . 2 2 54 54 ASN H H 1 7.762 . . . . . . . 132 ASN H . 7427 1 86 . 2 2 54 54 ASN N N 15 112.875 . . . . . . . 132 ASN N . 7427 1 87 . 2 2 55 55 HIS H H 1 7.744 . . . . . . . 133 HIS H . 7427 1 88 . 2 2 55 55 HIS N N 15 122.136 . . . . . . . 133 HIS N . 7427 1 89 . 2 2 56 56 ASP H H 1 8.224 . . . . . . . 134 ALA H . 7427 1 90 . 2 2 56 56 ASP N N 15 116.796 . . . . . . . 134 ALA N . 7427 1 91 . 2 2 57 57 GLN H H 1 7.51 . . . . . . . 135 GLN H . 7427 1 92 . 2 2 57 57 GLN N N 15 117.655 . . . . . . . 135 GLN N . 7427 1 93 . 2 2 58 58 PHE H H 1 8.559 . . . . . . . 136 PHE H . 7427 1 94 . 2 2 58 58 PHE N N 15 117.897 . . . . . . . 136 PHE N . 7427 1 95 . 2 2 59 59 ALA H H 1 8.05 . . . . . . . 137 ALA H . 7427 1 96 . 2 2 59 59 ALA N N 15 124.215 . . . . . . . 137 ALA N . 7427 1 97 . 2 2 60 60 THR H H 1 7.021 . . . . . . . 138 THR H . 7427 1 98 . 2 2 60 60 THR N N 15 111.22 . . . . . . . 138 THR N . 7427 1 99 . 2 2 61 61 GLY H H 1 8.735 . . . . . . . 139 GLY H . 7427 1 100 . 2 2 61 61 GLY N N 15 111.226 . . . . . . . 139 GLY N . 7427 1 101 . 2 2 62 62 SER H H 1 8.699 . . . . . . . 140 SER H . 7427 1 102 . 2 2 62 62 SER N N 15 122.376 . . . . . . . 140 SER N . 7427 1 103 . 2 2 63 63 GLY H H 1 8.524 . . . . . . . 141 GLY H . 7427 1 104 . 2 2 63 63 GLY N N 15 109.319 . . . . . . . 141 GLY N . 7427 1 105 . 2 2 65 65 LEU H H 1 7.489 . . . . . . . 143 LEU H . 7427 1 106 . 2 2 65 65 LEU N N 15 118.451 . . . . . . . 143 LEU N . 7427 1 107 . 2 2 66 66 ARG H H 1 7.588 . . . . . . . 144 ARG H . 7427 1 108 . 2 2 66 66 ARG N N 15 119.126 . . . . . . . 144 ARG N . 7427 1 109 . 2 2 67 67 GLY H H 1 8.818 . . . . . . . 145 GLY H . 7427 1 110 . 2 2 67 67 GLY N N 15 107.486 . . . . . . . 145 GLY N . 7427 1 111 . 2 2 68 68 SER H H 1 6.741 . . . . . . . 146 SER H . 7427 1 112 . 2 2 68 68 SER N N 15 117.168 . . . . . . . 146 SER N . 7427 1 113 . 2 2 69 69 ILE H H 1 7.615 . . . . . . . 147 ILE H . 7427 1 114 . 2 2 69 69 ILE N N 15 126.484 . . . . . . . 147 ILE N . 7427 1 115 . 2 2 70 70 THR H H 1 8.315 . . . . . . . 148 THR H . 7427 1 116 . 2 2 70 70 THR N N 15 116.061 . . . . . . . 148 THR N . 7427 1 117 . 2 2 71 71 GLN H H 1 7.848 . . . . . . . 149 GLN H . 7427 1 118 . 2 2 71 71 GLN N N 15 120.411 . . . . . . . 149 GLN N . 7427 1 119 . 2 2 72 72 CYS H H 1 8.722 . . . . . . . 150 CYS H . 7427 1 120 . 2 2 72 72 CYS N N 15 127.399 . . . . . . . 150 CYS N . 7427 1 121 . 2 2 73 73 GLN H H 1 9.714 . . . . . . . 151 GLN H . 7427 1 122 . 2 2 73 73 GLN N N 15 125.57 . . . . . . . 151 GLN N . 7427 1 123 . 2 2 74 74 GLY H H 1 7.994 . . . . . . . 152 GLY H . 7427 1 124 . 2 2 74 74 GLY N N 15 101.05 . . . . . . . 152 GLY N . 7427 1 125 . 2 2 75 75 LEU H H 1 7.566 . . . . . . . 153 LEU H . 7427 1 126 . 2 2 75 75 LEU N N 15 123.788 . . . . . . . 153 LEU N . 7427 1 127 . 2 2 76 76 MET H H 1 7.832 . . . . . . . 154 MET H . 7427 1 128 . 2 2 76 76 MET N N 15 115.891 . . . . . . . 154 MET N . 7427 1 129 . 2 2 77 77 GLN H H 1 7.895 . . . . . . . 155 GLN H . 7427 1 130 . 2 2 77 77 GLN N N 15 116.396 . . . . . . . 155 GLN N . 7427 1 131 . 2 2 78 78 PHE H H 1 7.959 . . . . . . . 156 PHE H . 7427 1 132 . 2 2 78 78 PHE N N 15 112.997 . . . . . . . 156 PHE N . 7427 1 133 . 2 2 79 79 CYS H H 1 7.413 . . . . . . . 157 CYS H . 7427 1 134 . 2 2 79 79 CYS N N 15 117.285 . . . . . . . 157 CYS N . 7427 1 135 . 2 2 80 80 GLY H H 1 7.965 . . . . . . . 158 GLY H . 7427 1 136 . 2 2 80 80 GLY N N 15 106.744 . . . . . . . 158 GLY N . 7427 1 137 . 2 2 81 81 GLY H H 1 8.343 . . . . . . . 159 GLY H . 7427 1 138 . 2 2 81 81 GLY N N 15 106.621 . . . . . . . 159 GLY N . 7427 1 139 . 2 2 82 82 GLU H H 1 8.896 . . . . . . . 160 GLU H . 7427 1 140 . 2 2 82 82 GLU N N 15 126.174 . . . . . . . 160 GLU N . 7427 1 141 . 2 2 83 83 LEU H H 1 8.216 . . . . . . . 161 LEU H . 7427 1 142 . 2 2 83 83 LEU N N 15 120.354 . . . . . . . 161 LEU N . 7427 1 143 . 2 2 84 84 GLN H H 1 6.713 . . . . . . . 162 GLN H . 7427 1 144 . 2 2 84 84 GLN N N 15 118.273 . . . . . . . 162 GLN N . 7427 1 145 . 2 2 85 85 ALA H H 1 7.663 . . . . . . . 163 ALA H . 7427 1 146 . 2 2 85 85 ALA N N 15 121.39 . . . . . . . 163 ALA N . 7427 1 147 . 2 2 86 86 GLU H H 1 8.44 . . . . . . . 164 GLU H . 7427 1 148 . 2 2 86 86 GLU N N 15 120.478 . . . . . . . 164 GLU N . 7427 1 149 . 2 2 87 87 ALA H H 1 7.944 . . . . . . . 165 ALA H . 7427 1 150 . 2 2 87 87 ALA N N 15 122.432 . . . . . . . 165 ALA N . 7427 1 151 . 2 2 88 88 SER H H 1 7.881 . . . . . . . 166 SER H . 7427 1 152 . 2 2 88 88 SER N N 15 110.975 . . . . . . . 166 SER N . 7427 1 153 . 2 2 89 89 ALA H H 1 7.803 . . . . . . . 167 ALA H . 7427 1 154 . 2 2 89 89 ALA N N 15 122.807 . . . . . . . 167 ALA N . 7427 1 155 . 2 2 90 90 ILE H H 1 7.699 . . . . . . . 168 ILE H . 7427 1 156 . 2 2 90 90 ILE N N 15 120.355 . . . . . . . 168 ILE N . 7427 1 157 . 2 2 91 91 LEU H H 1 7.671 . . . . . . . 169 LEU H . 7427 1 158 . 2 2 91 91 LEU N N 15 117.169 . . . . . . . 169 LEU N . 7427 1 159 . 2 2 92 92 ASN H H 1 7.658 . . . . . . . 170 ASN H . 7427 1 160 . 2 2 92 92 ASN N N 15 112.202 . . . . . . . 170 ASN N . 7427 1 161 . 2 2 93 93 THR H H 1 7.567 . . . . . . . 171 THR H . 7427 1 162 . 2 2 93 93 THR N N 15 122.13 . . . . . . . 171 THR N . 7427 1 163 . 2 2 95 95 VAL H H 1 8.106 . . . . . . . 173 VAL H . 7427 1 164 . 2 2 95 95 VAL N N 15 117.473 . . . . . . . 173 VAL N . 7427 1 165 . 2 2 96 96 CYS H H 1 8.903 . . . . . . . 174 CYS H . 7427 1 166 . 2 2 96 96 CYS N N 15 120.478 . . . . . . . 174 CYS N . 7427 1 167 . 2 2 97 97 GLY H H 1 7.839 . . . . . . . 175 GLY H . 7427 1 168 . 2 2 97 97 GLY N N 15 108.463 . . . . . . . 175 GLY N . 7427 1 169 . 2 2 98 98 ILE H H 1 7.505 . . . . . . . 176 ILE H . 7427 1 170 . 2 2 98 98 ILE N N 15 121.646 . . . . . . . 176 ILE N . 7427 1 171 . 2 2 100 100 PHE H H 1 8.853 . . . . . . . 178 PHE H . 7427 1 172 . 2 2 100 100 PHE N N 15 126.487 . . . . . . . 178 PHE N . 7427 1 173 . 2 2 101 101 SER H H 1 8.552 . . . . . . . 179 SER H . 7427 1 174 . 2 2 101 101 SER N N 15 109.75 . . . . . . . 179 SER N . 7427 1 175 . 2 2 102 102 GLN H H 1 8.297 . . . . . . . 180 GLN H . 7427 1 176 . 2 2 102 102 GLN N N 15 120.829 . . . . . . . 180 GLN N . 7427 1 177 . 2 2 103 103 TRP H H 1 8.511 . . . . . . . 181 TRP H . 7427 1 178 . 2 2 103 103 TRP N N 15 120.84 . . . . . . . 181 TRP N . 7427 1 179 . 2 2 104 104 GLY H H 1 7.258 . . . . . . . 182 GLY H . 7427 1 180 . 2 2 104 104 GLY N N 15 108.46 . . . . . . . 182 GLY N . 7427 1 181 . 2 2 105 105 THR H H 1 6.545 . . . . . . . 183 THR H . 7427 1 182 . 2 2 105 105 THR N N 15 113.184 . . . . . . . 183 THR N . 7427 1 183 . 2 2 106 106 ILE H H 1 8.218 . . . . . . . 184 ILE H . 7427 1 184 . 2 2 106 106 ILE N N 15 122.598 . . . . . . . 184 ILE N . 7427 1 185 . 2 2 107 107 GLY H H 1 8.357 . . . . . . . 185 GLY H . 7427 1 186 . 2 2 107 107 GLY N N 15 110.85 . . . . . . . 185 GLY N . 7427 1 187 . 2 2 108 108 GLY H H 1 8.426 . . . . . . . 186 GLY H . 7427 1 188 . 2 2 108 108 GLY N N 15 110.543 . . . . . . . 186 GLY N . 7427 1 189 . 2 2 109 109 ALA H H 1 7.964 . . . . . . . 187 VAL H . 7427 1 190 . 2 2 109 109 ALA N N 15 121.758 . . . . . . . 187 VAL N . 7427 1 191 . 2 2 110 110 ALA H H 1 8.196 . . . . . . . 188 ALA H . 7427 1 192 . 2 2 110 110 ALA N N 15 125.069 . . . . . . . 188 ALA N . 7427 1 193 . 2 2 111 111 SER H H 1 8.825 . . . . . . . 189 SER H . 7427 1 194 . 2 2 111 111 SER N N 15 116.368 . . . . . . . 189 SER N . 7427 1 195 . 2 2 112 112 ALA H H 1 7.678 . . . . . . . 190 ALA H . 7427 1 196 . 2 2 112 112 ALA N N 15 124.215 . . . . . . . 190 ALA N . 7427 1 197 . 2 2 113 113 TYR H H 1 7.741 . . . . . . . 191 TYR H . 7427 1 198 . 2 2 113 113 TYR N N 15 122.123 . . . . . . . 191 TYR N . 7427 1 199 . 2 2 114 114 VAL H H 1 8.294 . . . . . . . 192 VAL H . 7427 1 200 . 2 2 114 114 VAL N N 15 120.472 . . . . . . . 192 VAL N . 7427 1 201 . 2 2 115 115 ALA H H 1 7.512 . . . . . . . 193 ALA H . 7427 1 202 . 2 2 115 115 ALA N N 15 119.492 . . . . . . . 193 ALA N . 7427 1 203 . 2 2 116 116 SER H H 1 7.376 . . . . . . . 194 SER H . 7427 1 204 . 2 2 116 116 SER N N 15 114.162 . . . . . . . 194 SER N . 7427 1 205 . 2 2 117 117 GLY H H 1 7.797 . . . . . . . 195 GLY H . 7427 1 206 . 2 2 117 117 GLY N N 15 111.456 . . . . . . . 195 GLY N . 7427 1 207 . 2 2 118 118 VAL H H 1 6.852 . . . . . . . 196 VAL H . 7427 1 208 . 2 2 118 118 VAL N N 15 118.087 . . . . . . . 196 VAL N . 7427 1 209 . 2 2 119 119 ASP H H 1 8.092 . . . . . . . 197 ASP H . 7427 1 210 . 2 2 119 119 ASP N N 15 123.11 . . . . . . . 197 ASP N . 7427 1 211 . 2 2 120 120 LEU H H 1 8.763 . . . . . . . 198 LEU H . 7427 1 212 . 2 2 120 120 LEU N N 15 129.044 . . . . . . . 198 LEU N . 7427 1 213 . 2 2 121 121 THR H H 1 8.545 . . . . . . . 199 THR H . 7427 1 214 . 2 2 121 121 THR N N 15 120.354 . . . . . . . 199 THR N . 7427 1 215 . 2 2 122 122 GLN H H 1 8.224 . . . . . . . 200 GLN H . 7427 1 216 . 2 2 122 122 GLN N N 15 122.128 . . . . . . . 200 GLN N . 7427 1 217 . 2 2 123 123 ALA H H 1 8.05 . . . . . . . 201 ALA H . 7427 1 218 . 2 2 123 123 ALA N N 15 122.073 . . . . . . . 201 ALA N . 7427 1 219 . 2 2 124 124 ALA H H 1 8.196 . . . . . . . 202 ALA H . 7427 1 220 . 2 2 124 124 ALA N N 15 118.392 . . . . . . . 202 ALA N . 7427 1 221 . 2 2 125 125 ASN H H 1 8.252 . . . . . . . 203 ASN H . 7427 1 222 . 2 2 125 125 ASN N N 15 116.857 . . . . . . . 203 ASN N . 7427 1 223 . 2 2 126 126 GLU H H 1 8.693 . . . . . . . 204 GLU H . 7427 1 224 . 2 2 126 126 GLU N N 15 123.477 . . . . . . . 204 GLU N . 7427 1 225 . 2 2 127 127 ILE H H 1 8.321 . . . . . . . 205 ILE H . 7427 1 226 . 2 2 127 127 ILE N N 15 122.931 . . . . . . . 205 ILE N . 7427 1 227 . 2 2 128 128 LYS H H 1 8.231 . . . . . . . 206 LYS H . 7427 1 228 . 2 2 128 128 LYS N N 15 121.331 . . . . . . . 206 LYS N . 7427 1 229 . 2 2 129 129 GLY H H 1 7.893 . . . . . . . 207 GLY H . 7427 1 230 . 2 2 129 129 GLY N N 15 106.805 . . . . . . . 207 GLY N . 7427 1 231 . 2 2 130 130 LEU H H 1 7.454 . . . . . . . 208 LEU H . 7427 1 232 . 2 2 130 130 LEU N N 15 125.508 . . . . . . . 208 LEU N . 7427 1 233 . 2 2 131 131 ALA H H 1 8.232 . . . . . . . 209 ALA H . 7427 1 234 . 2 2 131 131 ALA N N 15 123.3 . . . . . . . 209 ALA N . 7427 1 235 . 2 2 132 132 GLN H H 1 7.503 . . . . . . . 210 GLN H . 7427 1 236 . 2 2 132 132 GLN N N 15 116.619 . . . . . . . 210 GLN N . 7427 1 237 . 2 2 133 133 GLN H H 1 7.748 . . . . . . . 211 GLN H . 7427 1 238 . 2 2 133 133 GLN N N 15 122.929 . . . . . . . 211 GLN N . 7427 1 239 . 2 2 134 134 MET H H 1 8.014 . . . . . . . 212 MET H . 7427 1 240 . 2 2 134 134 MET N N 15 118.7 . . . . . . . 212 MET N . 7427 1 241 . 2 2 135 135 GLN H H 1 7.514 . . . . . . . 213 GLN H . 7427 1 242 . 2 2 135 135 GLN N N 15 119.447 . . . . . . . 213 GLN N . 7427 1 243 . 2 2 136 136 LYS H H 1 7.677 . . . . . . . 214 LYS H . 7427 1 244 . 2 2 136 136 LYS N N 15 119.364 . . . . . . . 214 LYS N . 7427 1 245 . 2 2 137 137 LEU H H 1 7.133 . . . . . . . 215 LEU H . 7427 1 246 . 2 2 137 137 LEU N N 15 116.791 . . . . . . . 215 LEU N . 7427 1 247 . 2 2 138 138 LEU H H 1 7.083 . . . . . . . 216 LEU H . 7427 1 248 . 2 2 138 138 LEU N N 15 116.732 . . . . . . . 216 LEU N . 7427 1 249 . 2 2 139 139 SER H H 1 7.986 . . . . . . . 217 SER H . 7427 1 250 . 2 2 139 139 SER N N 15 115.081 . . . . . . . 217 SER N . 7427 1 251 . 2 2 140 140 LEU H H 1 7.699 . . . . . . . 218 LEU H . 7427 1 252 . 2 2 140 140 LEU N N 15 121.582 . . . . . . . 218 LEU N . 7427 1 253 . 2 2 141 141 MET H H 1 7.593 . . . . . . . 219 MET H . 7427 1 254 . 2 2 141 141 MET N N 15 117.405 . . . . . . . 219 MET N . 7427 1 255 . 2 2 142 142 LEU H H 1 7.447 . . . . . . . 220 LEU H . 7427 1 256 . 2 2 142 142 LEU N N 15 119.556 . . . . . . . 220 LEU N . 7427 1 257 . 2 2 143 143 GLU H H 1 7.733 . . . . . . . 221 GLU H . 7427 1 258 . 2 2 143 143 GLU N N 15 120.227 . . . . . . . 221 GLU N . 7427 1 stop_ save_