data_15878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15878 _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. . 15878 2 Alicia Gamez . . . 15878 3 Roland Riek . . . 15878 4 Partho Ghosh . . . 15878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 216 15878 '15N chemical shifts' 194 15878 '1H chemical shifts' 194 15878 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 . 15878 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7426 'YopE free state' 15878 BMRB 7427 'n-terminal YopE effector domain' 15878 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15878 _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. . 15878 1 2 Alicia Gamez . . . 15878 1 3 Roland Riek . . . 15878 1 4 Partho Ghosh . . . 15878 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID effector 15878 1 plague 15878 1 SycE 15878 1 'type III secretion' 15878 1 yersinia 15878 1 YopE 15878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15878 _Assembly.ID 1 _Assembly.Name 'SycE-YopE complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . yes native no no . . . 15878 1 2 'SycE 1' 2 $SycE A . yes native no no . Chaperone . 15878 1 3 'SycE 2' 2 $SycE A . yes native no no . Chaperone . 15878 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.' . 15878 1 yes PDB 1JYA . . X-ray 1.74 'Structure for the free SycE that is bound to YopE in this study.' . 15878 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.' 15878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YopE _Entity.Sf_category entity _Entity.Sf_framecode YopE _Entity.Entry_ID 15878 _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 LNSLDAEMLQKNHAQFATGS GPLRGSITQCQGLMQFCGGE LQAEASAILNTPVCGIPFSQ WGTIGGVASAYVASGVDLTQ 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 2015-11-26 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 EMBL CAA68609 . "unnamed protein product [Yersinia pseudotuberculosis]" . . . . . 96.48 219 100.00 100.00 4.52e-155 . . . . 15878 1 2 no EMBL CAB54883 . "putative outer membrane virulence protein [Yersinia pestis CO92]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 3 no EMBL CAF25368 . "putative outer membrane virulence protein [Yersinia pseudotuberculosis IP 32953]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 4 no EMBL CFU99608 . "putative outer membrane virulence protein [Yersinia pseudotuberculosis]" . . . . . 96.48 219 98.63 99.09 1.10e-152 . . . . 15878 1 5 no EMBL CFV36742 . "putative outer membrane virulence protein [Yersinia pseudotuberculosis]" . . . . . 96.48 219 98.63 98.63 2.46e-152 . . . . 15878 1 6 no GB AAA27672 . "virulence determinant (yopE) [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 7 no GB AAC62587 . "YopE [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 8 no GB AAC69818 . "targeted effector [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 9 no GB AAS58592 . "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 10 no GB ABG16295 . "outer membrane virulence protein [Yersinia pestis Antiqua]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 11 no REF NP_395143 . "putative outer membrane virulence protein [Yersinia pestis CO92]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 12 no REF NP_857762 . "YopE [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 13 no REF NP_857967 . "targeted effector [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 14 no REF WP_002229754 . "outer membrane virulence protein YopE [Yersinia pestis]" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 15 no REF WP_002353311 . "MULTISPECIES: virulence protein YopE [Yersinia]" . . . . . 85.46 194 98.97 98.97 9.20e-136 . . . . 15878 1 16 no SP P08008 . "RecName: Full=Outer membrane virulence protein YopE" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 1 17 no SP P31493 . "RecName: Full=Outer membrane virulence protein YopE" . . . . . 96.48 219 99.09 99.09 2.59e-153 . . . . 15878 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 . 15878 1 2 . LYS . 15878 1 3 . ILE . 15878 1 4 . SER . 15878 1 5 . SER . 15878 1 6 . PHE . 15878 1 7 . ILE . 15878 1 8 . SER . 15878 1 9 . THR . 15878 1 10 . SER . 15878 1 11 . LEU . 15878 1 12 . PRO . 15878 1 13 . LEU . 15878 1 14 . PRO . 15878 1 15 . THR . 15878 1 16 . SER . 15878 1 17 . VAL . 15878 1 18 . SER . 15878 1 19 . GLY . 15878 1 20 . SER . 15878 1 21 . SER . 15878 1 22 . SER . 15878 1 23 . VAL . 15878 1 24 . GLY . 15878 1 25 . GLU . 15878 1 26 . MET . 15878 1 27 . SER . 15878 1 28 . GLY . 15878 1 29 . ARG . 15878 1 30 . SER . 15878 1 31 . VAL . 15878 1 32 . SER . 15878 1 33 . GLN . 15878 1 34 . GLN . 15878 1 35 . THR . 15878 1 36 . SER . 15878 1 37 . ASP . 15878 1 38 . GLN . 15878 1 39 . TYR . 15878 1 40 . ALA . 15878 1 41 . ASN . 15878 1 42 . ASN . 15878 1 43 . LEU . 15878 1 44 . ALA . 15878 1 45 . GLY . 15878 1 46 . ARG . 15878 1 47 . THR . 15878 1 48 . GLU . 15878 1 49 . SER . 15878 1 50 . PRO . 15878 1 51 . GLN . 15878 1 52 . GLY . 15878 1 53 . SER . 15878 1 54 . SER . 15878 1 55 . LEU . 15878 1 56 . ALA . 15878 1 57 . SER . 15878 1 58 . ARG . 15878 1 59 . ILE . 15878 1 60 . ILE . 15878 1 61 . GLU . 15878 1 62 . ARG . 15878 1 63 . LEU . 15878 1 64 . SER . 15878 1 65 . SER . 15878 1 66 . VAL . 15878 1 67 . ALA . 15878 1 68 . HIS . 15878 1 69 . SER . 15878 1 70 . VAL . 15878 1 71 . ILE . 15878 1 72 . GLY . 15878 1 73 . PHE . 15878 1 74 . ILE . 15878 1 75 . GLN . 15878 1 76 . ARG . 15878 1 77 . MET . 15878 1 78 . PHE . 15878 1 79 . SER . 15878 1 80 . GLU . 15878 1 81 . GLY . 15878 1 82 . SER . 15878 1 83 . HIS . 15878 1 84 . LYS . 15878 1 85 . PRO . 15878 1 86 . VAL . 15878 1 87 . VAL . 15878 1 88 . THR . 15878 1 89 . PRO . 15878 1 90 . ALA . 15878 1 91 . PRO . 15878 1 92 . THR . 15878 1 93 . PRO . 15878 1 94 . ALA . 15878 1 95 . GLN . 15878 1 96 . MET . 15878 1 97 . PRO . 15878 1 98 . SER . 15878 1 99 . PRO . 15878 1 100 . THR . 15878 1 101 . SER . 15878 1 102 . PHE . 15878 1 103 . SER . 15878 1 104 . ASP . 15878 1 105 . SER . 15878 1 106 . ILE . 15878 1 107 . LYS . 15878 1 108 . GLN . 15878 1 109 . LEU . 15878 1 110 . ALA . 15878 1 111 . ALA . 15878 1 112 . GLU . 15878 1 113 . THR . 15878 1 114 . LEU . 15878 1 115 . PRO . 15878 1 116 . LYS . 15878 1 117 . TYR . 15878 1 118 . MET . 15878 1 119 . GLN . 15878 1 120 . GLN . 15878 1 121 . LEU . 15878 1 122 . ASN . 15878 1 123 . SER . 15878 1 124 . LEU . 15878 1 125 . ASP . 15878 1 126 . ALA . 15878 1 127 . GLU . 15878 1 128 . MET . 15878 1 129 . LEU . 15878 1 130 . GLN . 15878 1 131 . LYS . 15878 1 132 . ASN . 15878 1 133 . HIS . 15878 1 134 . ALA . 15878 1 135 . GLN . 15878 1 136 . PHE . 15878 1 137 . ALA . 15878 1 138 . THR . 15878 1 139 . GLY . 15878 1 140 . SER . 15878 1 141 . GLY . 15878 1 142 . PRO . 15878 1 143 . LEU . 15878 1 144 . ARG . 15878 1 145 . GLY . 15878 1 146 . SER . 15878 1 147 . ILE . 15878 1 148 . THR . 15878 1 149 . GLN . 15878 1 150 . CYS . 15878 1 151 . GLN . 15878 1 152 . GLY . 15878 1 153 . LEU . 15878 1 154 . MET . 15878 1 155 . GLN . 15878 1 156 . PHE . 15878 1 157 . CYS . 15878 1 158 . GLY . 15878 1 159 . GLY . 15878 1 160 . GLU . 15878 1 161 . LEU . 15878 1 162 . GLN . 15878 1 163 . ALA . 15878 1 164 . GLU . 15878 1 165 . ALA . 15878 1 166 . SER . 15878 1 167 . ALA . 15878 1 168 . ILE . 15878 1 169 . LEU . 15878 1 170 . ASN . 15878 1 171 . THR . 15878 1 172 . PRO . 15878 1 173 . VAL . 15878 1 174 . CYS . 15878 1 175 . GLY . 15878 1 176 . ILE . 15878 1 177 . PRO . 15878 1 178 . PHE . 15878 1 179 . SER . 15878 1 180 . GLN . 15878 1 181 . TRP . 15878 1 182 . GLY . 15878 1 183 . THR . 15878 1 184 . ILE . 15878 1 185 . GLY . 15878 1 186 . GLY . 15878 1 187 . VAL . 15878 1 188 . ALA . 15878 1 189 . SER . 15878 1 190 . ALA . 15878 1 191 . TYR . 15878 1 192 . VAL . 15878 1 193 . ALA . 15878 1 194 . SER . 15878 1 195 . GLY . 15878 1 196 . VAL . 15878 1 197 . ASP . 15878 1 198 . LEU . 15878 1 199 . THR . 15878 1 200 . GLN . 15878 1 201 . ALA . 15878 1 202 . ALA . 15878 1 203 . ASN . 15878 1 204 . GLU . 15878 1 205 . ILE . 15878 1 206 . LYS . 15878 1 207 . GLY . 15878 1 208 . LEU . 15878 1 209 . ALA . 15878 1 210 . GLN . 15878 1 211 . GLN . 15878 1 212 . MET . 15878 1 213 . GLN . 15878 1 214 . LYS . 15878 1 215 . LEU . 15878 1 216 . LEU . 15878 1 217 . SER . 15878 1 218 . LEU . 15878 1 219 . MET . 15878 1 220 . LEU . 15878 1 221 . GLU . 15878 1 222 . HIS . 15878 1 223 . HIS . 15878 1 224 . HIS . 15878 1 225 . HIS . 15878 1 226 . HIS . 15878 1 227 . HIS . 15878 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 15878 1 . LYS 2 2 15878 1 . ILE 3 3 15878 1 . SER 4 4 15878 1 . SER 5 5 15878 1 . PHE 6 6 15878 1 . ILE 7 7 15878 1 . SER 8 8 15878 1 . THR 9 9 15878 1 . SER 10 10 15878 1 . LEU 11 11 15878 1 . PRO 12 12 15878 1 . LEU 13 13 15878 1 . PRO 14 14 15878 1 . THR 15 15 15878 1 . SER 16 16 15878 1 . VAL 17 17 15878 1 . SER 18 18 15878 1 . GLY 19 19 15878 1 . SER 20 20 15878 1 . SER 21 21 15878 1 . SER 22 22 15878 1 . VAL 23 23 15878 1 . GLY 24 24 15878 1 . GLU 25 25 15878 1 . MET 26 26 15878 1 . SER 27 27 15878 1 . GLY 28 28 15878 1 . ARG 29 29 15878 1 . SER 30 30 15878 1 . VAL 31 31 15878 1 . SER 32 32 15878 1 . GLN 33 33 15878 1 . GLN 34 34 15878 1 . THR 35 35 15878 1 . SER 36 36 15878 1 . ASP 37 37 15878 1 . GLN 38 38 15878 1 . TYR 39 39 15878 1 . ALA 40 40 15878 1 . ASN 41 41 15878 1 . ASN 42 42 15878 1 . LEU 43 43 15878 1 . ALA 44 44 15878 1 . GLY 45 45 15878 1 . ARG 46 46 15878 1 . THR 47 47 15878 1 . GLU 48 48 15878 1 . SER 49 49 15878 1 . PRO 50 50 15878 1 . GLN 51 51 15878 1 . GLY 52 52 15878 1 . SER 53 53 15878 1 . SER 54 54 15878 1 . LEU 55 55 15878 1 . ALA 56 56 15878 1 . SER 57 57 15878 1 . ARG 58 58 15878 1 . ILE 59 59 15878 1 . ILE 60 60 15878 1 . GLU 61 61 15878 1 . ARG 62 62 15878 1 . LEU 63 63 15878 1 . SER 64 64 15878 1 . SER 65 65 15878 1 . VAL 66 66 15878 1 . ALA 67 67 15878 1 . HIS 68 68 15878 1 . SER 69 69 15878 1 . VAL 70 70 15878 1 . ILE 71 71 15878 1 . GLY 72 72 15878 1 . PHE 73 73 15878 1 . ILE 74 74 15878 1 . GLN 75 75 15878 1 . ARG 76 76 15878 1 . MET 77 77 15878 1 . PHE 78 78 15878 1 . SER 79 79 15878 1 . GLU 80 80 15878 1 . GLY 81 81 15878 1 . SER 82 82 15878 1 . HIS 83 83 15878 1 . LYS 84 84 15878 1 . PRO 85 85 15878 1 . VAL 86 86 15878 1 . VAL 87 87 15878 1 . THR 88 88 15878 1 . PRO 89 89 15878 1 . ALA 90 90 15878 1 . PRO 91 91 15878 1 . THR 92 92 15878 1 . PRO 93 93 15878 1 . ALA 94 94 15878 1 . GLN 95 95 15878 1 . MET 96 96 15878 1 . PRO 97 97 15878 1 . SER 98 98 15878 1 . PRO 99 99 15878 1 . THR 100 100 15878 1 . SER 101 101 15878 1 . PHE 102 102 15878 1 . SER 103 103 15878 1 . ASP 104 104 15878 1 . SER 105 105 15878 1 . ILE 106 106 15878 1 . LYS 107 107 15878 1 . GLN 108 108 15878 1 . LEU 109 109 15878 1 . ALA 110 110 15878 1 . ALA 111 111 15878 1 . GLU 112 112 15878 1 . THR 113 113 15878 1 . LEU 114 114 15878 1 . PRO 115 115 15878 1 . LYS 116 116 15878 1 . TYR 117 117 15878 1 . MET 118 118 15878 1 . GLN 119 119 15878 1 . GLN 120 120 15878 1 . LEU 121 121 15878 1 . ASN 122 122 15878 1 . SER 123 123 15878 1 . LEU 124 124 15878 1 . ASP 125 125 15878 1 . ALA 126 126 15878 1 . GLU 127 127 15878 1 . MET 128 128 15878 1 . LEU 129 129 15878 1 . GLN 130 130 15878 1 . LYS 131 131 15878 1 . ASN 132 132 15878 1 . HIS 133 133 15878 1 . ALA 134 134 15878 1 . GLN 135 135 15878 1 . PHE 136 136 15878 1 . ALA 137 137 15878 1 . THR 138 138 15878 1 . GLY 139 139 15878 1 . SER 140 140 15878 1 . GLY 141 141 15878 1 . PRO 142 142 15878 1 . LEU 143 143 15878 1 . ARG 144 144 15878 1 . GLY 145 145 15878 1 . SER 146 146 15878 1 . ILE 147 147 15878 1 . THR 148 148 15878 1 . GLN 149 149 15878 1 . CYS 150 150 15878 1 . GLN 151 151 15878 1 . GLY 152 152 15878 1 . LEU 153 153 15878 1 . MET 154 154 15878 1 . GLN 155 155 15878 1 . PHE 156 156 15878 1 . CYS 157 157 15878 1 . GLY 158 158 15878 1 . GLY 159 159 15878 1 . GLU 160 160 15878 1 . LEU 161 161 15878 1 . GLN 162 162 15878 1 . ALA 163 163 15878 1 . GLU 164 164 15878 1 . ALA 165 165 15878 1 . SER 166 166 15878 1 . ALA 167 167 15878 1 . ILE 168 168 15878 1 . LEU 169 169 15878 1 . ASN 170 170 15878 1 . THR 171 171 15878 1 . PRO 172 172 15878 1 . VAL 173 173 15878 1 . CYS 174 174 15878 1 . GLY 175 175 15878 1 . ILE 176 176 15878 1 . PRO 177 177 15878 1 . PHE 178 178 15878 1 . SER 179 179 15878 1 . GLN 180 180 15878 1 . TRP 181 181 15878 1 . GLY 182 182 15878 1 . THR 183 183 15878 1 . ILE 184 184 15878 1 . GLY 185 185 15878 1 . GLY 186 186 15878 1 . VAL 187 187 15878 1 . ALA 188 188 15878 1 . SER 189 189 15878 1 . ALA 190 190 15878 1 . TYR 191 191 15878 1 . VAL 192 192 15878 1 . ALA 193 193 15878 1 . SER 194 194 15878 1 . GLY 195 195 15878 1 . VAL 196 196 15878 1 . ASP 197 197 15878 1 . LEU 198 198 15878 1 . THR 199 199 15878 1 . GLN 200 200 15878 1 . ALA 201 201 15878 1 . ALA 202 202 15878 1 . ASN 203 203 15878 1 . GLU 204 204 15878 1 . ILE 205 205 15878 1 . LYS 206 206 15878 1 . GLY 207 207 15878 1 . LEU 208 208 15878 1 . ALA 209 209 15878 1 . GLN 210 210 15878 1 . GLN 211 211 15878 1 . MET 212 212 15878 1 . GLN 213 213 15878 1 . LYS 214 214 15878 1 . LEU 215 215 15878 1 . LEU 216 216 15878 1 . SER 217 217 15878 1 . LEU 218 218 15878 1 . MET 219 219 15878 1 . LEU 220 220 15878 1 . GLU 221 221 15878 1 . HIS 222 222 15878 1 . HIS 223 223 15878 1 . HIS 224 224 15878 1 . HIS 225 225 15878 1 . HIS 226 226 15878 1 . HIS 227 227 15878 1 stop_ save_ save_SycE _Entity.Sf_category entity _Entity.Sf_framecode SycE _Entity.Entry_ID 15878 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SycE _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 ; MYSFEQAITQLFQQLSLSIP DTIEPVIGVKVGEFACHITE HPVGQILMFTLPSLDNNDEK ETLLSHNIFSQDILKPILSW DEVGGHPVLWNRQPLNSLDN NSLYTQLEMLVQGAERLQTS SLISPPRSFS ; _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 130 _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 14649.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JYA . "Crystal Structure Of Syce" . . . . . 99.23 130 98.45 98.45 2.20e-85 . . . . 15878 2 2 no PDB 1K6Z . "Crystal Structure Of The Yersinia Secretion Chaperone Syce" . . . . . 99.23 141 98.45 98.45 2.29e-85 . . . . 15878 2 3 no PDB 1L2W . "Crystal Structure Of The Yersinia Virulence Effector Yope Chaperone-Binding Domain In Complex With Its Secretion Chaperone, Syc" . . . . . 93.08 123 100.00 100.00 2.36e-81 . . . . 15878 2 4 no PDB 1N5B . "Crystal Structure Of The Yersinia Enterocolitica Molecular Chaperone Syce" . . . . . 100.00 132 98.46 100.00 5.48e-87 . . . . 15878 2 5 no EMBL CAB54882 . "putative yopE chaperone [Yersinia pestis CO92]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 6 no EMBL CAF25367 . "sycE, yerA; putative yopE chaperone [Yersinia pseudotuberculosis IP 32953]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 7 no EMBL CAL10074 . "putative YopE chaperone [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 100.00 130 98.46 100.00 4.31e-87 . . . . 15878 2 8 no EMBL CBW54722 . "SycE, specific chaperone for YopE [Yersinia enterocolitica (type O:8)]" . . . . . 100.00 130 98.46 100.00 4.31e-87 . . . . 15878 2 9 no EMBL CBY78145 . "type III secretion chaperone protein for YopE (SycE) [Yersinia enterocolitica subsp. palearctica Y11]" . . . . . 100.00 130 99.23 100.00 9.66e-88 . . . . 15878 2 10 no GB AAA27671 . "yopE regulator (yerA) [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 11 no GB AAA27673 . "yopE regulator (yerA) [Yersinia enterocolitica]" . . . . . 100.00 130 98.46 100.00 4.31e-87 . . . . 15878 2 12 no GB AAC62588 . "YopE chaperone SycE [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 13 no GB AAC69819 . "YopE chaperone [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 14 no GB AAD16849 . "YopE chaperone SycE [Yersinia enterocolitica W22703]" . . . . . 100.00 130 99.23 100.00 9.66e-88 . . . . 15878 2 15 no REF NP_052426 . "YopE chaperone SycE [Yersinia enterocolitica W22703]" . . . . . 100.00 130 99.23 100.00 9.66e-88 . . . . 15878 2 16 no REF NP_395142 . "secretion chaperone [Yersinia pestis CO92]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 17 no REF NP_783701 . "SycE [Yersinia enterocolitica]" . . . . . 100.00 130 98.46 100.00 4.31e-87 . . . . 15878 2 18 no REF NP_857763 . "YopE chaperone SycE [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 19 no REF NP_857968 . "YopE chaperone [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 20 no SP P31490 . "RecName: Full=YopE regulator [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 100.00 130 98.46 100.00 4.31e-87 . . . . 15878 2 21 no SP P31491 . "RecName: Full=YopE regulator [Yersinia pestis]" . . . . . 100.00 130 100.00 100.00 2.52e-88 . . . . 15878 2 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 . 15878 2 2 . TYR . 15878 2 3 . SER . 15878 2 4 . PHE . 15878 2 5 . GLU . 15878 2 6 . GLN . 15878 2 7 . ALA . 15878 2 8 . ILE . 15878 2 9 . THR . 15878 2 10 . GLN . 15878 2 11 . LEU . 15878 2 12 . PHE . 15878 2 13 . GLN . 15878 2 14 . GLN . 15878 2 15 . LEU . 15878 2 16 . SER . 15878 2 17 . LEU . 15878 2 18 . SER . 15878 2 19 . ILE . 15878 2 20 . PRO . 15878 2 21 . ASP . 15878 2 22 . THR . 15878 2 23 . ILE . 15878 2 24 . GLU . 15878 2 25 . PRO . 15878 2 26 . VAL . 15878 2 27 . ILE . 15878 2 28 . GLY . 15878 2 29 . VAL . 15878 2 30 . LYS . 15878 2 31 . VAL . 15878 2 32 . GLY . 15878 2 33 . GLU . 15878 2 34 . PHE . 15878 2 35 . ALA . 15878 2 36 . CYS . 15878 2 37 . HIS . 15878 2 38 . ILE . 15878 2 39 . THR . 15878 2 40 . GLU . 15878 2 41 . HIS . 15878 2 42 . PRO . 15878 2 43 . VAL . 15878 2 44 . GLY . 15878 2 45 . GLN . 15878 2 46 . ILE . 15878 2 47 . LEU . 15878 2 48 . MET . 15878 2 49 . PHE . 15878 2 50 . THR . 15878 2 51 . LEU . 15878 2 52 . PRO . 15878 2 53 . SER . 15878 2 54 . LEU . 15878 2 55 . ASP . 15878 2 56 . ASN . 15878 2 57 . ASN . 15878 2 58 . ASP . 15878 2 59 . GLU . 15878 2 60 . LYS . 15878 2 61 . GLU . 15878 2 62 . THR . 15878 2 63 . LEU . 15878 2 64 . LEU . 15878 2 65 . SER . 15878 2 66 . HIS . 15878 2 67 . ASN . 15878 2 68 . ILE . 15878 2 69 . PHE . 15878 2 70 . SER . 15878 2 71 . GLN . 15878 2 72 . ASP . 15878 2 73 . ILE . 15878 2 74 . LEU . 15878 2 75 . LYS . 15878 2 76 . PRO . 15878 2 77 . ILE . 15878 2 78 . LEU . 15878 2 79 . SER . 15878 2 80 . TRP . 15878 2 81 . ASP . 15878 2 82 . GLU . 15878 2 83 . VAL . 15878 2 84 . GLY . 15878 2 85 . GLY . 15878 2 86 . HIS . 15878 2 87 . PRO . 15878 2 88 . VAL . 15878 2 89 . LEU . 15878 2 90 . TRP . 15878 2 91 . ASN . 15878 2 92 . ARG . 15878 2 93 . GLN . 15878 2 94 . PRO . 15878 2 95 . LEU . 15878 2 96 . ASN . 15878 2 97 . SER . 15878 2 98 . LEU . 15878 2 99 . ASP . 15878 2 100 . ASN . 15878 2 101 . ASN . 15878 2 102 . SER . 15878 2 103 . LEU . 15878 2 104 . TYR . 15878 2 105 . THR . 15878 2 106 . GLN . 15878 2 107 . LEU . 15878 2 108 . GLU . 15878 2 109 . MET . 15878 2 110 . LEU . 15878 2 111 . VAL . 15878 2 112 . GLN . 15878 2 113 . GLY . 15878 2 114 . ALA . 15878 2 115 . GLU . 15878 2 116 . ARG . 15878 2 117 . LEU . 15878 2 118 . GLN . 15878 2 119 . THR . 15878 2 120 . SER . 15878 2 121 . SER . 15878 2 122 . LEU . 15878 2 123 . ILE . 15878 2 124 . SER . 15878 2 125 . PRO . 15878 2 126 . PRO . 15878 2 127 . ARG . 15878 2 128 . SER . 15878 2 129 . PHE . 15878 2 130 . SER . 15878 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 15878 2 . TYR 2 2 15878 2 . SER 3 3 15878 2 . PHE 4 4 15878 2 . GLU 5 5 15878 2 . GLN 6 6 15878 2 . ALA 7 7 15878 2 . ILE 8 8 15878 2 . THR 9 9 15878 2 . GLN 10 10 15878 2 . LEU 11 11 15878 2 . PHE 12 12 15878 2 . GLN 13 13 15878 2 . GLN 14 14 15878 2 . LEU 15 15 15878 2 . SER 16 16 15878 2 . LEU 17 17 15878 2 . SER 18 18 15878 2 . ILE 19 19 15878 2 . PRO 20 20 15878 2 . ASP 21 21 15878 2 . THR 22 22 15878 2 . ILE 23 23 15878 2 . GLU 24 24 15878 2 . PRO 25 25 15878 2 . VAL 26 26 15878 2 . ILE 27 27 15878 2 . GLY 28 28 15878 2 . VAL 29 29 15878 2 . LYS 30 30 15878 2 . VAL 31 31 15878 2 . GLY 32 32 15878 2 . GLU 33 33 15878 2 . PHE 34 34 15878 2 . ALA 35 35 15878 2 . CYS 36 36 15878 2 . HIS 37 37 15878 2 . ILE 38 38 15878 2 . THR 39 39 15878 2 . GLU 40 40 15878 2 . HIS 41 41 15878 2 . PRO 42 42 15878 2 . VAL 43 43 15878 2 . GLY 44 44 15878 2 . GLN 45 45 15878 2 . ILE 46 46 15878 2 . LEU 47 47 15878 2 . MET 48 48 15878 2 . PHE 49 49 15878 2 . THR 50 50 15878 2 . LEU 51 51 15878 2 . PRO 52 52 15878 2 . SER 53 53 15878 2 . LEU 54 54 15878 2 . ASP 55 55 15878 2 . ASN 56 56 15878 2 . ASN 57 57 15878 2 . ASP 58 58 15878 2 . GLU 59 59 15878 2 . LYS 60 60 15878 2 . GLU 61 61 15878 2 . THR 62 62 15878 2 . LEU 63 63 15878 2 . LEU 64 64 15878 2 . SER 65 65 15878 2 . HIS 66 66 15878 2 . ASN 67 67 15878 2 . ILE 68 68 15878 2 . PHE 69 69 15878 2 . SER 70 70 15878 2 . GLN 71 71 15878 2 . ASP 72 72 15878 2 . ILE 73 73 15878 2 . LEU 74 74 15878 2 . LYS 75 75 15878 2 . PRO 76 76 15878 2 . ILE 77 77 15878 2 . LEU 78 78 15878 2 . SER 79 79 15878 2 . TRP 80 80 15878 2 . ASP 81 81 15878 2 . GLU 82 82 15878 2 . VAL 83 83 15878 2 . GLY 84 84 15878 2 . GLY 85 85 15878 2 . HIS 86 86 15878 2 . PRO 87 87 15878 2 . VAL 88 88 15878 2 . LEU 89 89 15878 2 . TRP 90 90 15878 2 . ASN 91 91 15878 2 . ARG 92 92 15878 2 . GLN 93 93 15878 2 . PRO 94 94 15878 2 . LEU 95 95 15878 2 . ASN 96 96 15878 2 . SER 97 97 15878 2 . LEU 98 98 15878 2 . ASP 99 99 15878 2 . ASN 100 100 15878 2 . ASN 101 101 15878 2 . SER 102 102 15878 2 . LEU 103 103 15878 2 . TYR 104 104 15878 2 . THR 105 105 15878 2 . GLN 106 106 15878 2 . LEU 107 107 15878 2 . GLU 108 108 15878 2 . MET 109 109 15878 2 . LEU 110 110 15878 2 . VAL 111 111 15878 2 . GLN 112 112 15878 2 . GLY 113 113 15878 2 . ALA 114 114 15878 2 . GLU 115 115 15878 2 . ARG 116 116 15878 2 . LEU 117 117 15878 2 . GLN 118 118 15878 2 . THR 119 119 15878 2 . SER 120 120 15878 2 . SER 121 121 15878 2 . LEU 122 122 15878 2 . ILE 123 123 15878 2 . SER 124 124 15878 2 . PRO 125 125 15878 2 . PRO 126 126 15878 2 . ARG 127 127 15878 2 . SER 128 128 15878 2 . PHE 129 129 15878 2 . SER 130 130 15878 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 15878 _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 . . . . . . . . . . . . . . . . . . . . 15878 1 2 2 $SycE . 633 organism . 'Yersinia pseudotuberculosis' 'Yersinia pseudotuberculosis' . . Bacteria . Yersinia pseudotuberculosis 126 . . . . . . . . . . . . . . . . . . . . 15878 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 15878 _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 . . . . . . 15878 1 2 2 $SycE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21 . . . . . . . . . . . . . . pET28b . . . . . . 15878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SycE-YopE _Sample.Sf_category sample _Sample.Sf_framecode SycE-YopE _Sample.Entry_ID 15878 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Contains refolded SycE-YopE complexes. Concentrations given refer to monomers of each subunit. Complex exists as a heterotrimer_one YopE and two SycE).' _Sample.Aggregate_sample_number 2 _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% 13C; U-95% 15N; 90% 2H]' . . 1 $YopE . . . 0.25 1.0 mM . . . . 15878 1 2 SycE 'natural abundance' . . 2 $SycE . . . 0.5 2.0 mM . . . . 15878 1 3 D2O '[U-99.9% 2H]' . . . . . . 5 . . % . . . . 15878 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15878 1 5 'sodium phosphate pH6.1' 'natural abundance' . . . . . . 45 . . mM . . . . 15878 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 15878 _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 15878 1 pressure 1 . atm 15878 1 temperature 298 . K 15878 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15878 _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.' . . 15878 1 'Keller and Wuthrich' . . 15878 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15878 1 'chemical shift calculation' 15878 1 'data analysis' 15878 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 15878 _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 15878 _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.' . . 15878 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 15878 _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 $SycE-YopE isotropic . . 1 $all_samples . . . 1 $Bruker_700 . . . . . . . . . . . . . . . . 15878 1 2 '3D HNCA' no . . . . . . . . . . 1 $SycE-YopE isotropic . . 1 $all_samples . . . 1 $Bruker_700 . . . . . . . . . . . . . . . . 15878 1 3 '3D HNCACB' no . . . . . . . . . . 1 $SycE-YopE isotropic . . 1 $all_samples . . . 1 $Bruker_700 . . . . . . . . . . . . . . . . 15878 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $SycE-YopE isotropic . . 1 $all_samples . . . 1 $Bruker_700 . . . . . . . . . . . . . . . . 15878 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 15878 _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 . . . . . . . . . 15878 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_SycE-YopE-complex_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SycE-YopE-complex_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15878 _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' . . . 15878 1 2 '3D HNCA' . . . 15878 1 3 '3D HNCACB' . . . 15878 1 4 '3D 1H-15N NOESY' . . . 15878 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 2 2 LYS CA C 13 55.763 . . . . . . . 2 LYS CA . 15878 1 2 . 1 1 3 3 ILE H H 1 8.243 . . . . . . . 3 ILE H . 15878 1 3 . 1 1 3 3 ILE CA C 13 60.67 . . . . . . . 3 ILE CA . 15878 1 4 . 1 1 3 3 ILE N N 15 124.379 . . . . . . . 3 ILE N . 15878 1 5 . 1 1 4 4 SER H H 1 8.306 . . . . . . . 4 SER H . 15878 1 6 . 1 1 4 4 SER CA C 13 57.847 . . . . . . . 4 SER CA . 15878 1 7 . 1 1 4 4 SER N N 15 120.931 . . . . . . . 4 SER N . 15878 1 8 . 1 1 5 5 SER H H 1 8.201 . . . . . . . 5 SER H . 15878 1 9 . 1 1 5 5 SER CA C 13 57.807 . . . . . . . 5 SER CA . 15878 1 10 . 1 1 5 5 SER N N 15 118.287 . . . . . . . 5 SER N . 15878 1 11 . 1 1 6 6 PHE H H 1 8.012 . . . . . . . 6 PHE H . 15878 1 12 . 1 1 6 6 PHE CA C 13 57.406 . . . . . . . 6 PHE CA . 15878 1 13 . 1 1 6 6 PHE N N 15 122.375 . . . . . . . 6 PHE N . 15878 1 14 . 1 1 7 7 ILE H H 1 7.817 . . . . . . . 7 ILE H . 15878 1 15 . 1 1 7 7 ILE CA C 13 60.481 . . . . . . . 7 ILE CA . 15878 1 16 . 1 1 7 7 ILE N N 15 123.456 . . . . . . . 7 ILE N . 15878 1 17 . 1 1 8 8 SER H H 1 8.187 . . . . . . . 8 SER H . 15878 1 18 . 1 1 8 8 SER CA C 13 57.86 . . . . . . . 8 SER CA . 15878 1 19 . 1 1 8 8 SER N N 15 120.359 . . . . . . . 8 SER N . 15878 1 20 . 1 1 9 9 THR H H 1 8.019 . . . . . . . 9 THR H . 15878 1 21 . 1 1 9 9 THR CA C 13 61.424 . . . . . . . 9 THR CA . 15878 1 22 . 1 1 9 9 THR N N 15 116.335 . . . . . . . 9 THR N . 15878 1 23 . 1 1 10 10 SER H H 1 8.089 . . . . . . . 10 SER H . 15878 1 24 . 1 1 10 10 SER CA C 13 57.865 . . . . . . . 10 SER CA . 15878 1 25 . 1 1 10 10 SER N N 15 118.23 . . . . . . . 10 SER N . 15878 1 26 . 1 1 11 11 LEU H H 1 8.012 . . . . . . . 11 LEU H . 15878 1 27 . 1 1 11 11 LEU CA C 13 52.513 . . . . . . . 11 LEU CA . 15878 1 28 . 1 1 11 11 LEU N N 15 125.699 . . . . . . . 11 LEU N . 15878 1 29 . 1 1 12 12 PRO CA C 13 62.438 . . . . . . . 12 PRO CA . 15878 1 30 . 1 1 13 13 LEU H H 1 8.124 . . . . . . . 13 LEU H . 15878 1 31 . 1 1 13 13 LEU CA C 13 52.478 . . . . . . . 13 LEU CA . 15878 1 32 . 1 1 13 13 LEU N N 15 124.032 . . . . . . . 13 LEU N . 15878 1 33 . 1 1 14 14 PRO CA C 13 62.828 . . . . . . . 14 PRO CA . 15878 1 34 . 1 1 15 15 THR H H 1 7.991 . . . . . . . 15 THR H . 15878 1 35 . 1 1 15 15 THR CA C 13 61.573 . . . . . . . 15 THR CA . 15878 1 36 . 1 1 15 15 THR N N 15 114.149 . . . . . . . 15 THR N . 15878 1 37 . 1 1 16 16 SER H H 1 8.232 . . . . . . . 16 SER H . 15878 1 38 . 1 1 16 16 SER CA C 13 58.244 . . . . . . . 16 SER CA . 15878 1 39 . 1 1 16 16 SER N N 15 118.232 . . . . . . . 16 SER N . 15878 1 40 . 1 1 17 17 VAL H H 1 8.02 . . . . . . . 17 VAL H . 15878 1 41 . 1 1 17 17 VAL CA C 13 62.027 . . . . . . . 17 VAL CA . 15878 1 42 . 1 1 17 17 VAL N N 15 121.907 . . . . . . . 17 VAL N . 15878 1 43 . 1 1 18 18 SER H H 1 8.215 . . . . . . . 18 SER H . 15878 1 44 . 1 1 18 18 SER CA C 13 58.139 . . . . . . . 18 SER CA . 15878 1 45 . 1 1 18 18 SER N N 15 119.551 . . . . . . . 18 SER N . 15878 1 46 . 1 1 19 19 GLY H H 1 8.25 . . . . . . . 19 GLY H . 15878 1 47 . 1 1 19 19 GLY CA C 13 44.551 . . . . . . . 19 GLY CA . 15878 1 48 . 1 1 19 19 GLY N N 15 111.681 . . . . . . . 19 GLY N . 15878 1 49 . 1 1 20 20 SER H H 1 8.055 . . . . . . . 20 SER H . 15878 1 50 . 1 1 20 20 SER CA C 13 57.895 . . . . . . . 20 SER CA . 15878 1 51 . 1 1 20 20 SER N N 15 116.046 . . . . . . . 20 SER N . 15878 1 52 . 1 1 21 21 SER H H 1 8.075 . . . . . . . 21 SER H . 15878 1 53 . 1 1 21 21 SER CA C 13 57.86 . . . . . . . 21 SER CA . 15878 1 54 . 1 1 21 21 SER N N 15 116.619 . . . . . . . 21 SER N . 15878 1 55 . 1 1 22 22 SER H H 1 8.014 . . . . . . . 22 SER H . 15878 1 56 . 1 1 22 22 SER CA C 13 57.93 . . . . . . . 22 SER CA . 15878 1 57 . 1 1 22 22 SER N N 15 118.985 . . . . . . . 22 SER N . 15878 1 58 . 1 1 23 23 VAL H H 1 7.956 . . . . . . . 23 VAL H . 15878 1 59 . 1 1 23 23 VAL CA C 13 61.389 . . . . . . . 23 VAL CA . 15878 1 60 . 1 1 23 23 VAL N N 15 122.311 . . . . . . . 23 VAL N . 15878 1 61 . 1 1 24 24 GLY H H 1 8.578 . . . . . . . 24 GLY H . 15878 1 62 . 1 1 24 24 GLY CA C 13 43.812 . . . . . . . 24 GLY CA . 15878 1 63 . 1 1 24 24 GLY N N 15 114.092 . . . . . . . 24 GLY N . 15878 1 64 . 1 1 25 25 GLU H H 1 8.159 . . . . . . . 25 GLU H . 15878 1 65 . 1 1 25 25 GLU CA C 13 55.274 . . . . . . . 25 GLU CA . 15878 1 66 . 1 1 25 25 GLU N N 15 120.93 . . . . . . . 25 GLU N . 15878 1 67 . 1 1 26 26 MET H H 1 8.529 . . . . . . . 26 MET H . 15878 1 68 . 1 1 26 26 MET CA C 13 54.89 . . . . . . . 26 MET CA . 15878 1 69 . 1 1 26 26 MET N N 15 123.114 . . . . . . . 26 MET N . 15878 1 70 . 1 1 27 27 SER H H 1 9.109 . . . . . . . 27 SER H . 15878 1 71 . 1 1 27 27 SER CA C 13 58.035 . . . . . . . 27 SER CA . 15878 1 72 . 1 1 27 27 SER N N 15 124.262 . . . . . . . 27 SER N . 15878 1 73 . 1 1 28 28 GLY H H 1 8.563 . . . . . . . 28 GLY H . 15878 1 74 . 1 1 28 28 GLY CA C 13 44.266 . . . . . . . 28 GLY CA . 15878 1 75 . 1 1 28 28 GLY N N 15 107.027 . . . . . . . 28 GLY N . 15878 1 76 . 1 1 29 29 ARG H H 1 7.509 . . . . . . . 29 ARG H . 15878 1 77 . 1 1 29 29 ARG CA C 13 53.806 . . . . . . . 29 ARG CA . 15878 1 78 . 1 1 29 29 ARG N N 15 120.123 . . . . . . . 29 ARG N . 15878 1 79 . 1 1 30 30 SER H H 1 8.599 . . . . . . . 30 SER H . 15878 1 80 . 1 1 30 30 SER CA C 13 58.524 . . . . . . . 30 SER CA . 15878 1 81 . 1 1 30 30 SER N N 15 118.574 . . . . . . . 30 SER N . 15878 1 82 . 1 1 31 31 VAL H H 1 7.454 . . . . . . . 31 VAL H . 15878 1 83 . 1 1 31 31 VAL CA C 13 59.502 . . . . . . . 31 VAL CA . 15878 1 84 . 1 1 31 31 VAL N N 15 122.885 . . . . . . . 31 VAL N . 15878 1 85 . 1 1 32 32 SER H H 1 8.36 . . . . . . . 32 SER H . 15878 1 86 . 1 1 32 32 SER CA C 13 56.567 . . . . . . . 32 SER CA . 15878 1 87 . 1 1 32 32 SER N N 15 118.298 . . . . . . . 32 SER N . 15878 1 88 . 1 1 33 33 GLN CA C 13 53.352 . . . . . . . 33 GLN CA . 15878 1 89 . 1 1 34 34 GLN H H 1 7.364 . . . . . . . 34 GLN H . 15878 1 90 . 1 1 34 34 GLN CA C 13 53.572 . . . . . . . 34 GLN CA . 15878 1 91 . 1 1 34 34 GLN N N 15 121.678 . . . . . . . 34 GLN N . 15878 1 92 . 1 1 35 35 THR H H 1 8.417 . . . . . . . 35 THR H . 15878 1 93 . 1 1 35 35 THR CA C 13 62.931 . . . . . . . 35 THR CA . 15878 1 94 . 1 1 35 35 THR N N 15 119.957 . . . . . . . 35 THR N . 15878 1 95 . 1 1 36 36 SER CA C 13 57.615 . . . . . . . 36 SER CA . 15878 1 96 . 1 1 37 37 ASP H H 1 7.999 . . . . . . . 37 ASP H . 15878 1 97 . 1 1 37 37 ASP CA C 13 52.081 . . . . . . . 37 ASP CA . 15878 1 98 . 1 1 37 37 ASP N N 15 124.547 . . . . . . . 37 ASP N . 15878 1 99 . 1 1 38 38 GLN H H 1 8.832 . . . . . . . 38 GLN H . 15878 1 100 . 1 1 38 38 GLN CA C 13 58.866 . . . . . . . 38 GLN CA . 15878 1 101 . 1 1 38 38 GLN N N 15 120.125 . . . . . . . 38 GLN N . 15878 1 102 . 1 1 39 39 TYR H H 1 7.964 . . . . . . . 39 TYR H . 15878 1 103 . 1 1 39 39 TYR CA C 13 60.376 . . . . . . . 39 TYR CA . 15878 1 104 . 1 1 39 39 TYR N N 15 120.701 . . . . . . . 39 TYR N . 15878 1 105 . 1 1 41 41 ASN CA C 13 55.159 . . . . . . . 41 ASN CA . 15878 1 106 . 1 1 42 42 ASN H H 1 7.866 . . . . . . . 42 ASN H . 15878 1 107 . 1 1 42 42 ASN CA C 13 55.204 . . . . . . . 42 ASN CA . 15878 1 108 . 1 1 42 42 ASN N N 15 118.688 . . . . . . . 42 ASN N . 15878 1 109 . 1 1 43 43 LEU CA C 13 57.005 . . . . . . . 43 LEU CA . 15878 1 110 . 1 1 44 44 ALA H H 1 8.145 . . . . . . . 44 ALA H . 15878 1 111 . 1 1 44 44 ALA CA C 13 53.317 . . . . . . . 44 ALA CA . 15878 1 112 . 1 1 44 44 ALA N N 15 121.851 . . . . . . . 44 ALA N . 15878 1 113 . 1 1 45 45 GLY H H 1 6.352 . . . . . . . 45 GLY H . 15878 1 114 . 1 1 45 45 GLY CA C 13 42.56 . . . . . . . 45 GLY CA . 15878 1 115 . 1 1 45 45 GLY N N 15 99.44 . . . . . . . 45 GLY N . 15878 1 116 . 1 1 46 46 ARG H H 1 7.084 . . . . . . . 46 ARG H . 15878 1 117 . 1 1 46 46 ARG CA C 13 57.807 . . . . . . . 46 ARG CA . 15878 1 118 . 1 1 46 46 ARG N N 15 121.219 . . . . . . . 46 ARG N . 15878 1 119 . 1 1 47 47 THR H H 1 8.073 . . . . . . . 47 THR H . 15878 1 120 . 1 1 47 47 THR CA C 13 61.382 . . . . . . . 47 THR CA . 15878 1 121 . 1 1 47 47 THR N N 15 116.795 . . . . . . . 47 THR N . 15878 1 122 . 1 1 48 48 GLU H H 1 8.962 . . . . . . . 48 GLU H . 15878 1 123 . 1 1 48 48 GLU CA C 13 54.202 . . . . . . . 48 GLU CA . 15878 1 124 . 1 1 48 48 GLU N N 15 120.3 . . . . . . . 48 GLU N . 15878 1 125 . 1 1 49 49 SER H H 1 8.706 . . . . . . . 49 SER H . 15878 1 126 . 1 1 49 49 SER CA C 13 56.113 . . . . . . . 49 SER CA . 15878 1 127 . 1 1 49 49 SER N N 15 121.449 . . . . . . . 49 SER N . 15878 1 128 . 1 1 50 50 PRO CA C 13 62.962 . . . . . . . 50 PRO CA . 15878 1 129 . 1 1 51 51 GLN H H 1 8.236 . . . . . . . 51 GLN H . 15878 1 130 . 1 1 51 51 GLN CA C 13 55.379 . . . . . . . 51 GLN CA . 15878 1 131 . 1 1 51 51 GLN N N 15 121.791 . . . . . . . 51 GLN N . 15878 1 132 . 1 1 52 52 GLY H H 1 8.207 . . . . . . . 52 GLY H . 15878 1 133 . 1 1 52 52 GLY CA C 13 43.358 . . . . . . . 52 GLY CA . 15878 1 134 . 1 1 52 52 GLY N N 15 109.15 . . . . . . . 52 GLY N . 15878 1 135 . 1 1 53 53 SER H H 1 8.613 . . . . . . . 53 SER H . 15878 1 136 . 1 1 53 53 SER CA C 13 58.07 . . . . . . . 53 SER CA . 15878 1 137 . 1 1 53 53 SER N N 15 116.506 . . . . . . . 53 SER N . 15878 1 138 . 1 1 54 54 SER H H 1 8.879 . . . . . . . 54 SER H . 15878 1 139 . 1 1 54 54 SER CA C 13 57.72 . . . . . . . 54 SER CA . 15878 1 140 . 1 1 54 54 SER N N 15 121.215 . . . . . . . 54 SER N . 15878 1 141 . 1 1 55 55 LEU H H 1 9.84 . . . . . . . 55 LEU H . 15878 1 142 . 1 1 55 55 LEU CA C 13 57.734 . . . . . . . 55 LEU CA . 15878 1 143 . 1 1 55 55 LEU N N 15 127.947 . . . . . . . 55 LEU N . 15878 1 144 . 1 1 56 56 ALA H H 1 7.629 . . . . . . . 56 ALA H . 15878 1 145 . 1 1 56 56 ALA CA C 13 53.212 . . . . . . . 56 ALA CA . 15878 1 146 . 1 1 56 56 ALA N N 15 116.618 . . . . . . . 56 ALA N . 15878 1 147 . 1 1 57 57 SER H H 1 7.477 . . . . . . . 57 SER H . 15878 1 148 . 1 1 57 57 SER CA C 13 58.513 . . . . . . . 57 SER CA . 15878 1 149 . 1 1 57 57 SER N N 15 112.079 . . . . . . . 57 SER N . 15878 1 150 . 1 1 58 58 ARG H H 1 7.34 . . . . . . . 58 ARG H . 15878 1 151 . 1 1 58 58 ARG CA C 13 53.993 . . . . . . . 58 ARG CA . 15878 1 152 . 1 1 58 58 ARG N N 15 122.078 . . . . . . . 58 ARG N . 15878 1 153 . 1 1 59 59 ILE H H 1 8.144 . . . . . . . 59 ILE H . 15878 1 154 . 1 1 59 59 ILE CA C 13 60.851 . . . . . . . 59 ILE CA . 15878 1 155 . 1 1 59 59 ILE N N 15 121.864 . . . . . . . 59 ILE N . 15878 1 156 . 1 1 60 60 ILE H H 1 8.413 . . . . . . . 60 ILE H . 15878 1 157 . 1 1 60 60 ILE CA C 13 59.537 . . . . . . . 60 ILE CA . 15878 1 158 . 1 1 60 60 ILE N N 15 130.985 . . . . . . . 60 ILE N . 15878 1 159 . 1 1 61 61 GLU H H 1 8.786 . . . . . . . 61 GLU H . 15878 1 160 . 1 1 61 61 GLU CA C 13 53.562 . . . . . . . 61 GLU CA . 15878 1 161 . 1 1 61 61 GLU N N 15 124.901 . . . . . . . 61 GLU N . 15878 1 162 . 1 1 62 62 ARG H H 1 8.662 . . . . . . . 62 ARG H . 15878 1 163 . 1 1 62 62 ARG CA C 13 56.148 . . . . . . . 62 ARG CA . 15878 1 164 . 1 1 62 62 ARG N N 15 121.907 . . . . . . . 62 ARG N . 15878 1 165 . 1 1 63 63 LEU H H 1 7.601 . . . . . . . 63 LEU H . 15878 1 166 . 1 1 63 63 LEU CA C 13 54.05 . . . . . . . 63 LEU CA . 15878 1 167 . 1 1 63 63 LEU N N 15 125.642 . . . . . . . 63 LEU N . 15878 1 168 . 1 1 64 64 SER CA C 13 58.121 . . . . . . . 64 SER CA . 15878 1 169 . 1 1 65 65 SER H H 1 8.201 . . . . . . . 65 SER H . 15878 1 170 . 1 1 65 65 SER CA C 13 58.121 . . . . . . . 65 SER CA . 15878 1 171 . 1 1 65 65 SER N N 15 118.287 . . . . . . . 65 SER N . 15878 1 172 . 1 1 66 66 VAL H H 1 7.984 . . . . . . . 66 VAL H . 15878 1 173 . 1 1 66 66 VAL CA C 13 62.027 . . . . . . . 66 VAL CA . 15878 1 174 . 1 1 66 66 VAL N N 15 121.847 . . . . . . . 66 VAL N . 15878 1 175 . 1 1 67 67 ALA H H 1 8.403 . . . . . . . 67 ALA H . 15878 1 176 . 1 1 67 67 ALA CA C 13 53.023 . . . . . . . 67 ALA CA . 15878 1 177 . 1 1 67 67 ALA N N 15 123.287 . . . . . . . 67 ALA N . 15878 1 178 . 1 1 69 69 SER CA C 13 60.095 . . . . . . . 69 SER CA . 15878 1 179 . 1 1 70 70 VAL H H 1 7.042 . . . . . . . 70 VAL H . 15878 1 180 . 1 1 70 70 VAL CA C 13 64.849 . . . . . . . 70 VAL CA . 15878 1 181 . 1 1 70 70 VAL N N 15 123.806 . . . . . . . 70 VAL N . 15878 1 182 . 1 1 71 71 ILE H H 1 8.183 . . . . . . . 71 ILE H . 15878 1 183 . 1 1 71 71 ILE N N 15 118.401 . . . . . . . 71 ILE N . 15878 1 184 . 1 1 72 72 GLY H H 1 7.561 . . . . . . . 72 GLY H . 15878 1 185 . 1 1 72 72 GLY CA C 13 45.583 . . . . . . . 72 GLY CA . 15878 1 186 . 1 1 72 72 GLY N N 15 110.235 . . . . . . . 72 GLY N . 15878 1 187 . 1 1 73 73 PHE H H 1 7.37 . . . . . . . 73 PHE H . 15878 1 188 . 1 1 73 73 PHE CA C 13 61.11 . . . . . . . 73 PHE CA . 15878 1 189 . 1 1 73 73 PHE N N 15 122.886 . . . . . . . 73 PHE N . 15878 1 190 . 1 1 74 74 ILE H H 1 8.256 . . . . . . . 74 ILE H . 15878 1 191 . 1 1 74 74 ILE CA C 13 60.435 . . . . . . . 74 ILE CA . 15878 1 192 . 1 1 74 74 ILE N N 15 129.096 . . . . . . . 74 ILE N . 15878 1 193 . 1 1 75 75 GLN H H 1 8.282 . . . . . . . 75 GLN H . 15878 1 194 . 1 1 75 75 GLN CA C 13 57.825 . . . . . . . 75 GLN CA . 15878 1 195 . 1 1 75 75 GLN N N 15 120.812 . . . . . . . 75 GLN N . 15878 1 196 . 1 1 76 76 ARG CA C 13 59.337 . . . . . . . 76 ARG CA . 15878 1 197 . 1 1 77 77 MET H H 1 8.145 . . . . . . . 77 MET H . 15878 1 198 . 1 1 77 77 MET CA C 13 57.371 . . . . . . . 77 MET CA . 15878 1 199 . 1 1 77 77 MET N N 15 122.655 . . . . . . . 77 MET N . 15878 1 200 . 1 1 78 78 PHE H H 1 7.971 . . . . . . . 78 PHE H . 15878 1 201 . 1 1 78 78 PHE CA C 13 60.376 . . . . . . . 78 PHE CA . 15878 1 202 . 1 1 78 78 PHE N N 15 124.317 . . . . . . . 78 PHE N . 15878 1 203 . 1 1 79 79 SER H H 1 7.475 . . . . . . . 79 SER H . 15878 1 204 . 1 1 79 79 SER CA C 13 58.908 . . . . . . . 79 SER CA . 15878 1 205 . 1 1 79 79 SER N N 15 115.409 . . . . . . . 79 SER N . 15878 1 206 . 1 1 80 80 GLU H H 1 8.235 . . . . . . . 80 GLU H . 15878 1 207 . 1 1 80 80 GLU CA C 13 56.707 . . . . . . . 80 GLU CA . 15878 1 208 . 1 1 80 80 GLU N N 15 122.826 . . . . . . . 80 GLU N . 15878 1 209 . 1 1 81 81 GLY H H 1 8.187 . . . . . . . 81 GLY H . 15878 1 210 . 1 1 81 81 GLY CA C 13 44.616 . . . . . . . 81 GLY CA . 15878 1 211 . 1 1 81 81 GLY N N 15 109.729 . . . . . . . 81 GLY N . 15878 1 212 . 1 1 82 82 SER H H 1 7.95 . . . . . . . 82 SER H . 15878 1 213 . 1 1 82 82 SER CA C 13 58.174 . . . . . . . 82 SER CA . 15878 1 214 . 1 1 82 82 SER N N 15 115.702 . . . . . . . 82 SER N . 15878 1 215 . 1 1 83 83 HIS CA C 13 55.414 . . . . . . . 83 HIS CA . 15878 1 216 . 1 1 84 84 LYS CA C 13 56.672 . . . . . . . 84 LYS CA . 15878 1 217 . 1 1 85 85 PRO CA C 13 62.647 . . . . . . . 85 PRO CA . 15878 1 218 . 1 1 86 86 VAL H H 1 8.145 . . . . . . . 86 VAL H . 15878 1 219 . 1 1 86 86 VAL CA C 13 61.948 . . . . . . . 86 VAL CA . 15878 1 220 . 1 1 86 86 VAL N N 15 121.851 . . . . . . . 86 VAL N . 15878 1 221 . 1 1 87 87 VAL H H 1 8.096 . . . . . . . 87 VAL H . 15878 1 222 . 1 1 87 87 VAL CA C 13 61.564 . . . . . . . 87 VAL CA . 15878 1 223 . 1 1 87 87 VAL N N 15 125.356 . . . . . . . 87 VAL N . 15878 1 224 . 1 1 88 88 THR H H 1 8.193 . . . . . . . 88 THR H . 15878 1 225 . 1 1 88 88 THR CA C 13 59.432 . . . . . . . 88 THR CA . 15878 1 226 . 1 1 88 88 THR N N 15 122.886 . . . . . . . 88 THR N . 15878 1 227 . 1 1 89 89 PRO CA C 13 62.415 . . . . . . . 89 PRO CA . 15878 1 228 . 1 1 90 90 ALA H H 1 8.375 . . . . . . . 90 ALA H . 15878 1 229 . 1 1 90 90 ALA CA C 13 49.997 . . . . . . . 90 ALA CA . 15878 1 230 . 1 1 90 90 ALA N N 15 125.7 . . . . . . . 90 ALA N . 15878 1 231 . 1 1 91 91 PRO CA C 13 62.473 . . . . . . . 91 PRO CA . 15878 1 232 . 1 1 92 92 THR H H 1 8.117 . . . . . . . 92 THR H . 15878 1 233 . 1 1 92 92 THR CA C 13 59.957 . . . . . . . 92 THR CA . 15878 1 234 . 1 1 92 92 THR N N 15 117.497 . . . . . . . 92 THR N . 15878 1 235 . 1 1 93 93 PRO CA C 13 63.066 . . . . . . . 93 PRO CA . 15878 1 236 . 1 1 94 94 ALA H H 1 8.152 . . . . . . . 94 ALA H . 15878 1 237 . 1 1 94 94 ALA CA C 13 52.024 . . . . . . . 94 ALA CA . 15878 1 238 . 1 1 94 94 ALA N N 15 124.202 . . . . . . . 94 ALA N . 15878 1 239 . 1 1 95 95 GLN H H 1 8.089 . . . . . . . 95 GLN H . 15878 1 240 . 1 1 95 95 GLN CA C 13 55.029 . . . . . . . 95 GLN CA . 15878 1 241 . 1 1 95 95 GLN N N 15 119.552 . . . . . . . 95 GLN N . 15878 1 242 . 1 1 96 96 MET H H 1 8.215 . . . . . . . 96 MET H . 15878 1 243 . 1 1 96 96 MET CA C 13 52.688 . . . . . . . 96 MET CA . 15878 1 244 . 1 1 96 96 MET N N 15 123.689 . . . . . . . 96 MET N . 15878 1 245 . 1 1 97 97 PRO CA C 13 62.671 . . . . . . . 97 PRO CA . 15878 1 246 . 1 1 98 98 SER H H 1 8.32 . . . . . . . 98 SER H . 15878 1 247 . 1 1 98 98 SER CA C 13 55.938 . . . . . . . 98 SER CA . 15878 1 248 . 1 1 98 98 SER N N 15 118.116 . . . . . . . 98 SER N . 15878 1 249 . 1 1 99 99 PRO CA C 13 63.486 . . . . . . . 99 PRO CA . 15878 1 250 . 1 1 100 100 THR H H 1 8.054 . . . . . . . 100 THR H . 15878 1 251 . 1 1 100 100 THR CA C 13 62.123 . . . . . . . 100 THR CA . 15878 1 252 . 1 1 100 100 THR N N 15 114.15 . . . . . . . 100 THR N . 15878 1 253 . 1 1 101 101 SER H H 1 8.27 . . . . . . . 101 SER H . 15878 1 254 . 1 1 101 101 SER CA C 13 58.664 . . . . . . . 101 SER CA . 15878 1 255 . 1 1 101 101 SER N N 15 119.207 . . . . . . . 101 SER N . 15878 1 256 . 1 1 102 102 PHE H H 1 8.509 . . . . . . . 102 PHE H . 15878 1 257 . 1 1 102 102 PHE CA C 13 60.621 . . . . . . . 102 PHE CA . 15878 1 258 . 1 1 102 102 PHE N N 15 124.611 . . . . . . . 102 PHE N . 15878 1 259 . 1 1 103 103 SER H H 1 8.32 . . . . . . . 103 SER H . 15878 1 260 . 1 1 103 103 SER CA C 13 61.25 . . . . . . . 103 SER CA . 15878 1 261 . 1 1 103 103 SER N N 15 114.787 . . . . . . . 103 SER N . 15878 1 262 . 1 1 104 104 ASP H H 1 7.95 . . . . . . . 104 ASP H . 15878 1 263 . 1 1 104 104 ASP CA C 13 57.266 . . . . . . . 104 ASP CA . 15878 1 264 . 1 1 104 104 ASP N N 15 121.276 . . . . . . . 104 ASP N . 15878 1 265 . 1 1 105 105 SER H H 1 7.768 . . . . . . . 105 SER H . 15878 1 266 . 1 1 105 105 SER CA C 13 58.279 . . . . . . . 105 SER CA . 15878 1 267 . 1 1 105 105 SER N N 15 117.876 . . . . . . . 105 SER N . 15878 1 268 . 1 1 106 106 ILE H H 1 7.468 . . . . . . . 106 ILE H . 15878 1 269 . 1 1 106 106 ILE CA C 13 61.599 . . . . . . . 106 ILE CA . 15878 1 270 . 1 1 106 106 ILE N N 15 124.55 . . . . . . . 106 ILE N . 15878 1 271 . 1 1 107 107 LYS H H 1 7.82 . . . . . . . 107 LYS H . 15878 1 272 . 1 1 107 107 LYS CA C 13 59.957 . . . . . . . 107 LYS CA . 15878 1 273 . 1 1 107 107 LYS N N 15 120.873 . . . . . . . 107 LYS N . 15878 1 274 . 1 1 108 108 GLN H H 1 7.88 . . . . . . . 108 GLN H . 15878 1 275 . 1 1 108 108 GLN CA C 13 58.594 . . . . . . . 108 GLN CA . 15878 1 276 . 1 1 108 108 GLN N N 15 119.088 . . . . . . . 108 GLN N . 15878 1 277 . 1 1 109 109 LEU H H 1 7.628 . . . . . . . 109 LEU H . 15878 1 278 . 1 1 109 109 LEU CA C 13 57.126 . . . . . . . 109 LEU CA . 15878 1 279 . 1 1 109 109 LEU N N 15 120.124 . . . . . . . 109 LEU N . 15878 1 280 . 1 1 110 110 ALA H H 1 8.099 . . . . . . . 110 ALA H . 15878 1 281 . 1 1 110 110 ALA CA C 13 54.855 . . . . . . . 110 ALA CA . 15878 1 282 . 1 1 110 110 ALA N N 15 124.635 . . . . . . . 110 ALA N . 15878 1 283 . 1 1 111 111 ALA H H 1 8.271 . . . . . . . 111 ALA H . 15878 1 284 . 1 1 111 111 ALA CA C 13 54.4 . . . . . . . 111 ALA CA . 15878 1 285 . 1 1 111 111 ALA N N 15 120.297 . . . . . . . 111 ALA N . 15878 1 286 . 1 1 112 112 GLU H H 1 7.349 . . . . . . . 112 GLU H . 15878 1 287 . 1 1 112 112 GLU CA C 13 57.301 . . . . . . . 112 GLU CA . 15878 1 288 . 1 1 112 112 GLU N N 15 113.863 . . . . . . . 112 GLU N . 15878 1 289 . 1 1 113 113 THR H H 1 7.726 . . . . . . . 113 THR H . 15878 1 290 . 1 1 113 113 THR CA C 13 63.451 . . . . . . . 113 THR CA . 15878 1 291 . 1 1 113 113 THR N N 15 110.529 . . . . . . . 113 THR N . 15878 1 292 . 1 1 114 114 LEU H H 1 8.592 . . . . . . . 114 LEU H . 15878 1 293 . 1 1 114 114 LEU CA C 13 59.467 . . . . . . . 114 LEU CA . 15878 1 294 . 1 1 114 114 LEU N N 15 122.422 . . . . . . . 114 LEU N . 15878 1 295 . 1 1 115 115 PRO CA C 13 66.526 . . . . . . . 115 PRO CA . 15878 1 296 . 1 1 116 116 LYS H H 1 6.931 . . . . . . . 116 LYS H . 15878 1 297 . 1 1 116 116 LYS CA C 13 58.314 . . . . . . . 116 LYS CA . 15878 1 298 . 1 1 116 116 LYS N N 15 116.736 . . . . . . . 116 LYS N . 15878 1 299 . 1 1 117 117 TYR H H 1 7.091 . . . . . . . 117 TYR H . 15878 1 300 . 1 1 117 117 TYR CA C 13 57.65 . . . . . . . 117 TYR CA . 15878 1 301 . 1 1 117 117 TYR N N 15 119.43 . . . . . . . 117 TYR N . 15878 1 302 . 1 1 118 118 MET H H 1 8.92 . . . . . . . 118 MET H . 15878 1 303 . 1 1 118 118 MET CA C 13 59.817 . . . . . . . 118 MET CA . 15878 1 304 . 1 1 118 118 MET N N 15 118.576 . . . . . . . 118 MET N . 15878 1 305 . 1 1 119 119 GLN H H 1 7.503 . . . . . . . 119 GLN H . 15878 1 306 . 1 1 119 119 GLN CA C 13 58.419 . . . . . . . 119 GLN CA . 15878 1 307 . 1 1 119 119 GLN N N 15 117.828 . . . . . . . 119 GLN N . 15878 1 308 . 1 1 120 120 GLN H H 1 7.328 . . . . . . . 120 GLN H . 15878 1 309 . 1 1 120 120 GLN CA C 13 58.279 . . . . . . . 120 GLN CA . 15878 1 310 . 1 1 120 120 GLN N N 15 117.424 . . . . . . . 120 GLN N . 15878 1 311 . 1 1 121 121 LEU H H 1 8.083 . . . . . . . 121 LEU H . 15878 1 312 . 1 1 121 121 LEU CA C 13 56.392 . . . . . . . 121 LEU CA . 15878 1 313 . 1 1 121 121 LEU N N 15 118.649 . . . . . . . 121 LEU N . 15878 1 314 . 1 1 122 122 ASN H H 1 7.789 . . . . . . . 122 ASN H . 15878 1 315 . 1 1 122 122 ASN CA C 13 54.89 . . . . . . . 122 ASN CA . 15878 1 316 . 1 1 122 122 ASN N N 15 114.9 . . . . . . . 122 ASN N . 15878 1 317 . 1 1 123 123 SER H H 1 7.203 . . . . . . . 123 SER H . 15878 1 318 . 1 1 123 123 SER CA C 13 57.51 . . . . . . . 123 SER CA . 15878 1 319 . 1 1 123 123 SER N N 15 112.141 . . . . . . . 123 SER N . 15878 1 320 . 1 1 124 124 LEU H H 1 7.014 . . . . . . . 124 LEU H . 15878 1 321 . 1 1 124 124 LEU CA C 13 56.082 . . . . . . . 124 LEU CA . 15878 1 322 . 1 1 124 124 LEU N N 15 121.85 . . . . . . . 124 LEU N . 15878 1 323 . 1 1 125 125 ASP H H 1 6.875 . . . . . . . 125 ASP H . 15878 1 324 . 1 1 125 125 ASP CA C 13 51.465 . . . . . . . 125 ASP CA . 15878 1 325 . 1 1 125 125 ASP N N 15 119.034 . . . . . . . 125 ASP N . 15878 1 326 . 1 1 126 126 ALA H H 1 8.64 . . . . . . . 126 ALA H . 15878 1 327 . 1 1 126 126 ALA CA C 13 55.903 . . . . . . . 126 ALA CA . 15878 1 328 . 1 1 126 126 ALA N N 15 121.39 . . . . . . . 126 ALA N . 15878 1 329 . 1 1 127 127 GLU H H 1 7.922 . . . . . . . 127 GLU H . 15878 1 330 . 1 1 127 127 GLU CA C 13 58.943 . . . . . . . 127 GLU CA . 15878 1 331 . 1 1 127 127 GLU N N 15 118.399 . . . . . . . 127 GLU N . 15878 1 332 . 1 1 128 128 MET H H 1 8.641 . . . . . . . 128 MET H . 15878 1 333 . 1 1 128 128 MET CA C 13 58.104 . . . . . . . 128 MET CA . 15878 1 334 . 1 1 128 128 MET N N 15 119.382 . . . . . . . 128 MET N . 15878 1 335 . 1 1 129 129 LEU H H 1 8.18 . . . . . . . 129 LEU H . 15878 1 336 . 1 1 129 129 LEU CA C 13 57.336 . . . . . . . 129 LEU CA . 15878 1 337 . 1 1 129 129 LEU N N 15 119.666 . . . . . . . 129 LEU N . 15878 1 338 . 1 1 130 130 GLN H H 1 8.09 . . . . . . . 130 GLN H . 15878 1 339 . 1 1 130 130 GLN CA C 13 58.978 . . . . . . . 130 GLN CA . 15878 1 340 . 1 1 130 130 GLN N N 15 117.656 . . . . . . . 130 GLN N . 15878 1 341 . 1 1 131 131 LYS H H 1 7.879 . . . . . . . 131 LYS H . 15878 1 342 . 1 1 131 131 LYS CA C 13 61.564 . . . . . . . 131 LYS CA . 15878 1 343 . 1 1 131 131 LYS N N 15 114.665 . . . . . . . 131 LYS N . 15878 1 344 . 1 1 132 132 ASN H H 1 7.762 . . . . . . . 132 ASN H . 15878 1 345 . 1 1 132 132 ASN CA C 13 52.583 . . . . . . . 132 ASN CA . 15878 1 346 . 1 1 132 132 ASN N N 15 112.828 . . . . . . . 132 ASN N . 15878 1 347 . 1 1 133 133 HIS H H 1 7.747 . . . . . . . 133 HIS H . 15878 1 348 . 1 1 133 133 HIS CA C 13 64.045 . . . . . . . 133 HIS CA . 15878 1 349 . 1 1 133 133 HIS N N 15 122.306 . . . . . . . 133 HIS N . 15878 1 350 . 1 1 134 134 ALA H H 1 8.229 . . . . . . . 134 ALA H . 15878 1 351 . 1 1 134 134 ALA CA C 13 51.36 . . . . . . . 134 ALA CA . 15878 1 352 . 1 1 134 134 ALA N N 15 116.737 . . . . . . . 134 ALA N . 15878 1 353 . 1 1 135 135 GLN H H 1 7.51 . . . . . . . 135 GLN H . 15878 1 354 . 1 1 135 135 GLN CA C 13 58.419 . . . . . . . 135 GLN CA . 15878 1 355 . 1 1 135 135 GLN N N 15 117.655 . . . . . . . 135 GLN N . 15878 1 356 . 1 1 136 136 PHE H H 1 8.557 . . . . . . . 136 PHE H . 15878 1 357 . 1 1 136 136 PHE CA C 13 57.231 . . . . . . . 136 PHE CA . 15878 1 358 . 1 1 136 136 PHE N N 15 117.831 . . . . . . . 136 PHE N . 15878 1 359 . 1 1 137 137 ALA H H 1 8.054 . . . . . . . 137 ALA H . 15878 1 360 . 1 1 137 137 ALA CA C 13 51.64 . . . . . . . 137 ALA CA . 15878 1 361 . 1 1 137 137 ALA N N 15 124.148 . . . . . . . 137 ALA N . 15878 1 362 . 1 1 138 138 THR H H 1 7.021 . . . . . . . 138 THR H . 15878 1 363 . 1 1 138 138 THR CA C 13 60.516 . . . . . . . 138 THR CA . 15878 1 364 . 1 1 138 138 THR N N 15 111.219 . . . . . . . 138 THR N . 15878 1 365 . 1 1 139 139 GLY H H 1 8.731 . . . . . . . 139 GLY H . 15878 1 366 . 1 1 139 139 GLY CA C 13 46.992 . . . . . . . 139 GLY CA . 15878 1 367 . 1 1 139 139 GLY N N 15 111.105 . . . . . . . 139 GLY N . 15878 1 368 . 1 1 140 140 SER H H 1 8.704 . . . . . . . 140 SER H . 15878 1 369 . 1 1 140 140 SER CA C 13 56.777 . . . . . . . 140 SER CA . 15878 1 370 . 1 1 140 140 SER N N 15 122.481 . . . . . . . 140 SER N . 15878 1 371 . 1 1 141 141 GLY H H 1 8.529 . . . . . . . 141 GLY H . 15878 1 372 . 1 1 141 141 GLY CA C 13 44.126 . . . . . . . 141 GLY CA . 15878 1 373 . 1 1 141 141 GLY N N 15 109.384 . . . . . . . 141 GLY N . 15878 1 374 . 1 1 142 142 PRO CA C 13 64.639 . . . . . . . 142 PRO CA . 15878 1 375 . 1 1 143 143 LEU H H 1 7.503 . . . . . . . 143 LEU H . 15878 1 376 . 1 1 143 143 LEU CA C 13 56.951 . . . . . . . 143 LEU CA . 15878 1 377 . 1 1 143 143 LEU N N 15 118.459 . . . . . . . 143 LEU N . 15878 1 378 . 1 1 144 144 ARG H H 1 7.587 . . . . . . . 144 ARG H . 15878 1 379 . 1 1 144 144 ARG CA C 13 58.943 . . . . . . . 144 ARG CA . 15878 1 380 . 1 1 144 144 ARG N N 15 119.091 . . . . . . . 144 ARG N . 15878 1 381 . 1 1 145 145 GLY H H 1 8.809 . . . . . . . 145 GLY H . 15878 1 382 . 1 1 145 145 GLY CA C 13 46.223 . . . . . . . 145 GLY CA . 15878 1 383 . 1 1 145 145 GLY N N 15 107.429 . . . . . . . 145 GLY N . 15878 1 384 . 1 1 146 146 SER H H 1 6.742 . . . . . . . 146 SER H . 15878 1 385 . 1 1 146 146 SER CA C 13 62.682 . . . . . . . 146 SER CA . 15878 1 386 . 1 1 146 146 SER N N 15 117.138 . . . . . . . 146 SER N . 15878 1 387 . 1 1 147 147 ILE H H 1 7.614 . . . . . . . 147 ILE H . 15878 1 388 . 1 1 147 147 ILE CA C 13 66.212 . . . . . . . 147 ILE CA . 15878 1 389 . 1 1 147 147 ILE N N 15 126.449 . . . . . . . 147 ILE N . 15878 1 390 . 1 1 148 148 THR H H 1 8.306 . . . . . . . 148 THR H . 15878 1 391 . 1 1 148 148 THR CA C 13 66.408 . . . . . . . 148 THR CA . 15878 1 392 . 1 1 148 148 THR N N 15 115.931 . . . . . . . 148 THR N . 15878 1 393 . 1 1 150 150 CYS H H 1 8.731 . . . . . . . 150 CYS H . 15878 1 394 . 1 1 150 150 CYS CA C 13 60.965 . . . . . . . 150 CYS CA . 15878 1 395 . 1 1 150 150 CYS N N 15 127.462 . . . . . . . 150 CYS N . 15878 1 396 . 1 1 151 151 GLN H H 1 9.735 . . . . . . . 151 GLN H . 15878 1 397 . 1 1 151 151 GLN CA C 13 60.166 . . . . . . . 151 GLN CA . 15878 1 398 . 1 1 151 151 GLN N N 15 125.641 . . . . . . . 151 GLN N . 15878 1 399 . 1 1 152 152 GLY H H 1 8.004 . . . . . . . 152 GLY H . 15878 1 400 . 1 1 152 152 GLY CA C 13 44.092 . . . . . . . 152 GLY CA . 15878 1 401 . 1 1 152 152 GLY N N 15 101.012 . . . . . . . 152 GLY N . 15878 1 402 . 1 1 153 153 LEU H H 1 7.566 . . . . . . . 153 LEU H . 15878 1 403 . 1 1 153 153 LEU CA C 13 57.58 . . . . . . . 153 LEU CA . 15878 1 404 . 1 1 153 153 LEU N N 15 123.918 . . . . . . . 153 LEU N . 15878 1 405 . 1 1 154 154 MET H H 1 7.824 . . . . . . . 154 MET H . 15878 1 406 . 1 1 154 154 MET CA C 13 57.825 . . . . . . . 154 MET CA . 15878 1 407 . 1 1 154 154 MET N N 15 115.758 . . . . . . . 154 MET N . 15878 1 408 . 1 1 155 155 GLN H H 1 7.915 . . . . . . . 155 GLN H . 15878 1 409 . 1 1 155 155 GLN CA C 13 57.65 . . . . . . . 155 GLN CA . 15878 1 410 . 1 1 155 155 GLN N N 15 116.446 . . . . . . . 155 GLN N . 15878 1 411 . 1 1 156 156 PHE H H 1 7.977 . . . . . . . 156 PHE H . 15878 1 412 . 1 1 156 156 PHE CA C 13 58.419 . . . . . . . 156 PHE CA . 15878 1 413 . 1 1 156 156 PHE N N 15 113.059 . . . . . . . 156 PHE N . 15878 1 414 . 1 1 157 157 CYS H H 1 7.412 . . . . . . . 157 CYS H . 15878 1 415 . 1 1 157 157 CYS CA C 13 58.594 . . . . . . . 157 CYS CA . 15878 1 416 . 1 1 157 157 CYS N N 15 117.31 . . . . . . . 157 CYS N . 15878 1 417 . 1 1 158 158 GLY H H 1 7.971 . . . . . . . 158 GLY H . 15878 1 418 . 1 1 158 158 GLY CA C 13 43.148 . . . . . . . 158 GLY CA . 15878 1 419 . 1 1 158 158 GLY N N 15 106.737 . . . . . . . 158 GLY N . 15878 1 420 . 1 1 159 159 GLY H H 1 8.341 . . . . . . . 159 GLY H . 15878 1 421 . 1 1 159 159 GLY CA C 13 45.629 . . . . . . . 159 GLY CA . 15878 1 422 . 1 1 159 159 GLY N N 15 106.686 . . . . . . . 159 GLY N . 15878 1 423 . 1 1 160 160 GLU H H 1 8.885 . . . . . . . 160 GLU H . 15878 1 424 . 1 1 160 160 GLU CA C 13 58.803 . . . . . . . 160 GLU CA . 15878 1 425 . 1 1 160 160 GLU N N 15 126.158 . . . . . . . 160 GLU N . 15878 1 426 . 1 1 161 161 LEU H H 1 8.215 . . . . . . . 161 LEU H . 15878 1 427 . 1 1 161 161 LEU CA C 13 57.79 . . . . . . . 161 LEU CA . 15878 1 428 . 1 1 161 161 LEU N N 15 120.361 . . . . . . . 161 LEU N . 15878 1 429 . 1 1 162 162 GLN H H 1 6.721 . . . . . . . 162 GLN H . 15878 1 430 . 1 1 162 162 GLN CA C 13 58.559 . . . . . . . 162 GLN CA . 15878 1 431 . 1 1 162 162 GLN N N 15 118.229 . . . . . . . 162 GLN N . 15878 1 432 . 1 1 163 163 ALA H H 1 7.657 . . . . . . . 163 ALA H . 15878 1 433 . 1 1 163 163 ALA CA C 13 54.47 . . . . . . . 163 ALA CA . 15878 1 434 . 1 1 163 163 ALA N N 15 121.276 . . . . . . . 163 ALA N . 15878 1 435 . 1 1 164 164 GLU H H 1 8.445 . . . . . . . 164 GLU H . 15878 1 436 . 1 1 164 164 GLU CA C 13 57.79 . . . . . . . 164 GLU CA . 15878 1 437 . 1 1 164 164 GLU N N 15 120.529 . . . . . . . 164 GLU N . 15878 1 438 . 1 1 165 165 ALA H H 1 7.957 . . . . . . . 165 ALA H . 15878 1 439 . 1 1 165 165 ALA CA C 13 55.588 . . . . . . . 165 ALA CA . 15878 1 440 . 1 1 165 165 ALA N N 15 121.219 . . . . . . . 165 ALA N . 15878 1 441 . 1 1 166 166 SER H H 1 7.88 . . . . . . . 166 SER H . 15878 1 442 . 1 1 166 166 SER CA C 13 60.865 . . . . . . . 166 SER CA . 15878 1 443 . 1 1 166 166 SER N N 15 110.933 . . . . . . . 166 SER N . 15878 1 444 . 1 1 167 167 ALA H H 1 7.803 . . . . . . . 167 ALA H . 15878 1 445 . 1 1 167 167 ALA CA C 13 54.506 . . . . . . . 167 ALA CA . 15878 1 446 . 1 1 167 167 ALA N N 15 122.713 . . . . . . . 167 ALA N . 15878 1 447 . 1 1 168 168 ILE H H 1 7.691 . . . . . . . 168 ILE H . 15878 1 448 . 1 1 168 168 ILE CA C 13 65.373 . . . . . . . 168 ILE CA . 15878 1 449 . 1 1 168 168 ILE N N 15 120.355 . . . . . . . 168 ILE N . 15878 1 450 . 1 1 169 169 LEU H H 1 7.677 . . . . . . . 169 LEU H . 15878 1 451 . 1 1 169 169 LEU CA C 13 57.72 . . . . . . . 169 LEU CA . 15878 1 452 . 1 1 169 169 LEU N N 15 117.079 . . . . . . . 169 LEU N . 15878 1 453 . 1 1 170 170 ASN H H 1 7.664 . . . . . . . 170 ASN H . 15878 1 454 . 1 1 170 170 ASN CA C 13 52.443 . . . . . . . 170 ASN CA . 15878 1 455 . 1 1 170 170 ASN N N 15 112.081 . . . . . . . 170 ASN N . 15878 1 456 . 1 1 171 171 THR H H 1 7.573 . . . . . . . 171 THR H . 15878 1 457 . 1 1 171 171 THR CA C 13 62.473 . . . . . . . 171 THR CA . 15878 1 458 . 1 1 171 171 THR N N 15 122.138 . . . . . . . 171 THR N . 15878 1 459 . 1 1 172 172 PRO CA C 13 62.598 . . . . . . . 172 PRO CA . 15878 1 460 . 1 1 173 173 VAL H H 1 8.1 . . . . . . . 173 VAL H . 15878 1 461 . 1 1 173 173 VAL CA C 13 65.298 . . . . . . . 173 VAL CA . 15878 1 462 . 1 1 173 173 VAL N N 15 117.473 . . . . . . . 173 VAL N . 15878 1 463 . 1 1 174 174 CYS H H 1 8.907 . . . . . . . 174 CYS H . 15878 1 464 . 1 1 174 174 CYS CA C 13 59.083 . . . . . . . 174 CYS CA . 15878 1 465 . 1 1 174 174 CYS N N 15 120.355 . . . . . . . 174 CYS N . 15878 1 466 . 1 1 175 175 GLY H H 1 7.81 . . . . . . . 175 GLY H . 15878 1 467 . 1 1 175 175 GLY CA C 13 46.747 . . . . . . . 175 GLY CA . 15878 1 468 . 1 1 175 175 GLY N N 15 108.405 . . . . . . . 175 GLY N . 15878 1 469 . 1 1 176 176 ILE H H 1 7.542 . . . . . . . 176 ILE H . 15878 1 470 . 1 1 176 176 ILE CA C 13 57.51 . . . . . . . 176 ILE CA . 15878 1 471 . 1 1 176 176 ILE N N 15 121.561 . . . . . . . 176 ILE N . 15878 1 472 . 1 1 177 177 PRO CA C 13 63.812 . . . . . . . 177 PRO CA . 15878 1 473 . 1 1 178 178 PHE H H 1 8.85 . . . . . . . 178 PHE H . 15878 1 474 . 1 1 178 178 PHE CA C 13 60.85 . . . . . . . 178 PHE CA . 15878 1 475 . 1 1 178 178 PHE N N 15 126.444 . . . . . . . 178 PHE N . 15878 1 476 . 1 1 179 179 SER H H 1 8.55 . . . . . . . 179 SER H . 15878 1 477 . 1 1 179 179 SER CA C 13 60.516 . . . . . . . 179 SER CA . 15878 1 478 . 1 1 179 179 SER N N 15 109.727 . . . . . . . 179 SER N . 15878 1 479 . 1 1 180 180 GLN H H 1 8.305 . . . . . . . 180 GLN H . 15878 1 480 . 1 1 180 180 GLN CA C 13 55.868 . . . . . . . 180 GLN CA . 15878 1 481 . 1 1 180 180 GLN N N 15 120.844 . . . . . . . 180 GLN N . 15878 1 482 . 1 1 181 181 TRP H H 1 8.514 . . . . . . . 181 TRP H . 15878 1 483 . 1 1 181 181 TRP CA C 13 61.18 . . . . . . . 181 TRP CA . 15878 1 484 . 1 1 181 181 TRP N N 15 120.818 . . . . . . . 181 TRP N . 15878 1 485 . 1 1 182 182 GLY H H 1 7.258 . . . . . . . 182 GLY H . 15878 1 486 . 1 1 182 182 GLY CA C 13 44.756 . . . . . . . 182 GLY CA . 15878 1 487 . 1 1 182 182 GLY N N 15 108.517 . . . . . . . 182 GLY N . 15878 1 488 . 1 1 183 183 THR H H 1 6.539 . . . . . . . 183 THR H . 15878 1 489 . 1 1 183 183 THR CA C 13 59.992 . . . . . . . 183 THR CA . 15878 1 490 . 1 1 183 183 THR N N 15 113.178 . . . . . . . 183 THR N . 15878 1 491 . 1 1 184 184 ILE H H 1 8.229 . . . . . . . 184 ILE H . 15878 1 492 . 1 1 184 184 ILE CA C 13 59.083 . . . . . . . 184 ILE CA . 15878 1 493 . 1 1 184 184 ILE N N 15 122.468 . . . . . . . 184 ILE N . 15878 1 494 . 1 1 185 185 GLY H H 1 8.341 . . . . . . . 185 GLY H . 15878 1 495 . 1 1 185 185 GLY CA C 13 44.825 . . . . . . . 185 GLY CA . 15878 1 496 . 1 1 185 185 GLY N N 15 110.758 . . . . . . . 185 GLY N . 15878 1 497 . 1 1 186 186 GLY H H 1 8.424 . . . . . . . 186 GLY H . 15878 1 498 . 1 1 186 186 GLY CA C 13 42.659 . . . . . . . 186 GLY CA . 15878 1 499 . 1 1 186 186 GLY N N 15 110.587 . . . . . . . 186 GLY N . 15878 1 500 . 1 1 187 187 VAL H H 1 7.985 . . . . . . . 187 VAL H . 15878 1 501 . 1 1 187 187 VAL CA C 13 66.059 . . . . . . . 187 VAL CA . 15878 1 502 . 1 1 187 187 VAL N N 15 121.791 . . . . . . . 187 VAL N . 15878 1 503 . 1 1 188 188 ALA H H 1 8.195 . . . . . . . 188 ALA H . 15878 1 504 . 1 1 188 188 ALA CA C 13 54.855 . . . . . . . 188 ALA CA . 15878 1 505 . 1 1 188 188 ALA N N 15 125.066 . . . . . . . 188 ALA N . 15878 1 506 . 1 1 189 189 SER H H 1 8.83 . . . . . . . 189 SER H . 15878 1 507 . 1 1 189 189 SER CA C 13 63.067 . . . . . . . 189 SER CA . 15878 1 508 . 1 1 189 189 SER N N 15 116.39 . . . . . . . 189 SER N . 15878 1 509 . 1 1 190 190 ALA H H 1 7.684 . . . . . . . 190 ALA H . 15878 1 510 . 1 1 190 190 ALA CA C 13 54.191 . . . . . . . 190 ALA CA . 15878 1 511 . 1 1 190 190 ALA N N 15 124.089 . . . . . . . 190 ALA N . 15878 1 512 . 1 1 191 191 TYR H H 1 7.74 . . . . . . . 191 TYR H . 15878 1 513 . 1 1 191 191 TYR CA C 13 61.669 . . . . . . . 191 TYR CA . 15878 1 514 . 1 1 191 191 TYR N N 15 122.022 . . . . . . . 191 TYR N . 15878 1 515 . 1 1 192 192 VAL H H 1 8.281 . . . . . . . 192 VAL H . 15878 1 516 . 1 1 192 192 VAL CA C 13 65.967 . . . . . . . 192 VAL CA . 15878 1 517 . 1 1 192 192 VAL N N 15 120.416 . . . . . . . 192 VAL N . 15878 1 518 . 1 1 193 193 ALA H H 1 7.517 . . . . . . . 193 ALA H . 15878 1 519 . 1 1 193 193 ALA CA C 13 51.919 . . . . . . . 193 ALA CA . 15878 1 520 . 1 1 193 193 ALA N N 15 119.436 . . . . . . . 193 ALA N . 15878 1 521 . 1 1 194 194 SER H H 1 7.392 . . . . . . . 194 SER H . 15878 1 522 . 1 1 194 194 SER CA C 13 60.83 . . . . . . . 194 SER CA . 15878 1 523 . 1 1 194 194 SER N N 15 114.196 . . . . . . . 194 SER N . 15878 1 524 . 1 1 195 195 GLY H H 1 7.796 . . . . . . . 195 GLY H . 15878 1 525 . 1 1 195 195 GLY CA C 13 44.581 . . . . . . . 195 GLY CA . 15878 1 526 . 1 1 195 195 GLY N N 15 111.507 . . . . . . . 195 GLY N . 15878 1 527 . 1 1 196 196 VAL H H 1 6.84 . . . . . . . 196 VAL H . 15878 1 528 . 1 1 196 196 VAL CA C 13 60.481 . . . . . . . 196 VAL CA . 15878 1 529 . 1 1 196 196 VAL N N 15 118.115 . . . . . . . 196 VAL N . 15878 1 530 . 1 1 197 197 ASP H H 1 8.096 . . . . . . . 197 ASP H . 15878 1 531 . 1 1 197 197 ASP CA C 13 54.317 . . . . . . . 197 ASP CA . 15878 1 532 . 1 1 197 197 ASP N N 15 122.998 . . . . . . . 197 ASP N . 15878 1 533 . 1 1 198 198 LEU H H 1 8.779 . . . . . . . 198 LEU H . 15878 1 534 . 1 1 198 198 LEU CA C 13 54.575 . . . . . . . 198 LEU CA . 15878 1 535 . 1 1 198 198 LEU N N 15 128.913 . . . . . . . 198 LEU N . 15878 1 536 . 1 1 199 199 THR H H 1 8.535 . . . . . . . 199 THR H . 15878 1 537 . 1 1 199 199 THR CA C 13 68.308 . . . . . . . 199 THR CA . 15878 1 538 . 1 1 199 199 THR N N 15 120.298 . . . . . . . 199 THR N . 15878 1 539 . 1 1 200 200 GLN H H 1 8.236 . . . . . . . 200 GLN H . 15878 1 540 . 1 1 200 200 GLN CA C 13 53.573 . . . . . . . 200 GLN CA . 15878 1 541 . 1 1 200 200 GLN N N 15 122.025 . . . . . . . 200 GLN N . 15878 1 542 . 1 1 201 201 ALA H H 1 8.061 . . . . . . . 201 ALA H . 15878 1 543 . 1 1 201 201 ALA CA C 13 55.029 . . . . . . . 201 ALA CA . 15878 1 544 . 1 1 201 201 ALA N N 15 122.025 . . . . . . . 201 ALA N . 15878 1 545 . 1 1 202 202 ALA H H 1 8.183 . . . . . . . 202 ALA H . 15878 1 546 . 1 1 202 202 ALA CA C 13 55.029 . . . . . . . 202 ALA CA . 15878 1 547 . 1 1 202 202 ALA N N 15 118.401 . . . . . . . 202 ALA N . 15878 1 548 . 1 1 203 203 ASN H H 1 8.247 . . . . . . . 203 ASN H . 15878 1 549 . 1 1 203 203 ASN CA C 13 55.309 . . . . . . . 203 ASN CA . 15878 1 550 . 1 1 203 203 ASN N N 15 116.849 . . . . . . . 203 ASN N . 15878 1 551 . 1 1 204 204 GLU H H 1 8.697 . . . . . . . 204 GLU H . 15878 1 552 . 1 1 204 204 GLU CA C 13 58.838 . . . . . . . 204 GLU CA . 15878 1 553 . 1 1 204 204 GLU N N 15 123.403 . . . . . . . 204 GLU N . 15878 1 554 . 1 1 205 205 ILE H H 1 8.32 . . . . . . . 205 ILE H . 15878 1 555 . 1 1 205 205 ILE CA C 13 66.004 . . . . . . . 205 ILE CA . 15878 1 556 . 1 1 205 205 ILE N N 15 122.884 . . . . . . . 205 ILE N . 15878 1 557 . 1 1 206 206 LYS H H 1 8.236 . . . . . . . 206 LYS H . 15878 1 558 . 1 1 206 206 LYS CA C 13 60.516 . . . . . . . 206 LYS CA . 15878 1 559 . 1 1 206 206 LYS N N 15 121.344 . . . . . . . 206 LYS N . 15878 1 560 . 1 1 207 207 GLY H H 1 7.83 . . . . . . . 207 GLY H . 15878 1 561 . 1 1 207 207 GLY CA C 13 43.148 . . . . . . . 207 GLY CA . 15878 1 562 . 1 1 207 207 GLY N N 15 106.795 . . . . . . . 207 GLY N . 15878 1 563 . 1 1 208 208 LEU H H 1 7.44 . . . . . . . 208 LEU H . 15878 1 564 . 1 1 208 208 LEU CA C 13 57.088 . . . . . . . 208 LEU CA . 15878 1 565 . 1 1 208 208 LEU N N 15 125.528 . . . . . . . 208 LEU N . 15878 1 566 . 1 1 209 209 ALA H H 1 8.229 . . . . . . . 209 ALA H . 15878 1 567 . 1 1 209 209 ALA CA C 13 54.191 . . . . . . . 209 ALA CA . 15878 1 568 . 1 1 209 209 ALA N N 15 123.159 . . . . . . . 209 ALA N . 15878 1 569 . 1 1 210 210 GLN H H 1 7.51 . . . . . . . 210 GLN H . 15878 1 570 . 1 1 210 210 GLN CA C 13 58.07 . . . . . . . 210 GLN CA . 15878 1 571 . 1 1 210 210 GLN N N 15 116.622 . . . . . . . 210 GLN N . 15878 1 572 . 1 1 211 211 GLN H H 1 7.754 . . . . . . . 211 GLN H . 15878 1 573 . 1 1 211 211 GLN CA C 13 58.349 . . . . . . . 211 GLN CA . 15878 1 574 . 1 1 211 211 GLN N N 15 122.998 . . . . . . . 211 GLN N . 15878 1 575 . 1 1 212 212 MET H H 1 7.986 . . . . . . . 212 MET H . 15878 1 576 . 1 1 212 212 MET CA C 13 59.223 . . . . . . . 212 MET CA . 15878 1 577 . 1 1 212 212 MET N N 15 118.87 . . . . . . . 212 MET N . 15878 1 578 . 1 1 213 213 GLN H H 1 7.517 . . . . . . . 213 GLN H . 15878 1 579 . 1 1 213 213 GLN CA C 13 58.489 . . . . . . . 213 GLN CA . 15878 1 580 . 1 1 213 213 GLN N N 15 119.436 . . . . . . . 213 GLN N . 15878 1 581 . 1 1 214 214 LYS H H 1 7.678 . . . . . . . 214 LYS H . 15878 1 582 . 1 1 214 214 LYS CA C 13 58.594 . . . . . . . 214 LYS CA . 15878 1 583 . 1 1 214 214 LYS N N 15 119.321 . . . . . . . 214 LYS N . 15878 1 584 . 1 1 215 215 LEU H H 1 7.126 . . . . . . . 215 LEU H . 15878 1 585 . 1 1 215 215 LEU CA C 13 58.629 . . . . . . . 215 LEU CA . 15878 1 586 . 1 1 215 215 LEU N N 15 116.677 . . . . . . . 215 LEU N . 15878 1 587 . 1 1 216 216 LEU H H 1 7.064 . . . . . . . 216 LEU H . 15878 1 588 . 1 1 216 216 LEU CA C 13 56.984 . . . . . . . 216 LEU CA . 15878 1 589 . 1 1 216 216 LEU N N 15 116.619 . . . . . . . 216 LEU N . 15878 1 590 . 1 1 217 217 SER H H 1 8.006 . . . . . . . 217 SER H . 15878 1 591 . 1 1 217 217 SER CA C 13 61.529 . . . . . . . 217 SER CA . 15878 1 592 . 1 1 217 217 SER N N 15 115.125 . . . . . . . 217 SER N . 15878 1 593 . 1 1 218 218 LEU H H 1 7.712 . . . . . . . 218 LEU H . 15878 1 594 . 1 1 218 218 LEU CA C 13 56.702 . . . . . . . 218 LEU CA . 15878 1 595 . 1 1 218 218 LEU N N 15 121.622 . . . . . . . 218 LEU N . 15878 1 596 . 1 1 219 219 MET H H 1 7.587 . . . . . . . 219 MET H . 15878 1 597 . 1 1 219 219 MET CA C 13 58.035 . . . . . . . 219 MET CA . 15878 1 598 . 1 1 219 219 MET N N 15 117.386 . . . . . . . 219 MET N . 15878 1 599 . 1 1 220 220 LEU H H 1 7.447 . . . . . . . 220 LEU H . 15878 1 600 . 1 1 220 220 LEU CA C 13 55.344 . . . . . . . 220 LEU CA . 15878 1 601 . 1 1 220 220 LEU N N 15 119.552 . . . . . . . 220 LEU N . 15878 1 602 . 1 1 221 221 GLU H H 1 7.75 . . . . . . . 221 GLU H . 15878 1 603 . 1 1 221 221 GLU CA C 13 56.462 . . . . . . . 221 GLU CA . 15878 1 604 . 1 1 221 221 GLU N N 15 120.129 . . . . . . . 221 GLU N . 15878 1 stop_ save_