data_7426 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Yersinia pseudotuberculosis type III secretion effector YopE. ; _BMRB_accession_number 7426 _BMRB_flat_file_name bmr7426.str _Entry_type original _Submission_date 2008-07-17 _Accession_date 2008-07-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _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.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rodgers Loren E. . 2 Gamez Alicia . . 3 Riek Roland . . 4 Ghosh Partho . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 193 "13C chemical shifts" 84 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15878 'SycE-YopE complex' 7427 'n-terminal YopE effector domain' stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18502763 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rodgers Loren E. . 2 Gamez Alicia . . 3 Riek Roland . . 4 Ghosh Partho . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20857 _Page_last 20863 _Year 2008 _Details . loop_ _Keyword effector plague SycE 'type III secretion' yersinia YopE stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SycE-YopE complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YopE $YopE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _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.' save_ ######################## # Monomeric polymers # ######################## save_YopE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YopE _Molecular_mass 24052.1 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; MKISSFISTSLPLPTSVSGS SSVGEMSGRSVSQQTSDQYA NNLAGRTESPQGSSLASRII ERLSSVAHSVIGFIQRMFSE GSHKPVVTPAPTPAQMPSPT SFSDSIKQLAAETLPKYMQQ LNSLDAEMLQKNHDQFATGS GPLRGSITQCQGLMQFCGGE LQAEASAILNTPVCGIPFSQ WGTIGGAASAYVASGVDLTQ AANEIKGLAQQMQKLLSLML EHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ILE 4 SER 5 SER 6 PHE 7 ILE 8 SER 9 THR 10 SER 11 LEU 12 PRO 13 LEU 14 PRO 15 THR 16 SER 17 VAL 18 SER 19 GLY 20 SER 21 SER 22 SER 23 VAL 24 GLY 25 GLU 26 MET 27 SER 28 GLY 29 ARG 30 SER 31 VAL 32 SER 33 GLN 34 GLN 35 THR 36 SER 37 ASP 38 GLN 39 TYR 40 ALA 41 ASN 42 ASN 43 LEU 44 ALA 45 GLY 46 ARG 47 THR 48 GLU 49 SER 50 PRO 51 GLN 52 GLY 53 SER 54 SER 55 LEU 56 ALA 57 SER 58 ARG 59 ILE 60 ILE 61 GLU 62 ARG 63 LEU 64 SER 65 SER 66 VAL 67 ALA 68 HIS 69 SER 70 VAL 71 ILE 72 GLY 73 PHE 74 ILE 75 GLN 76 ARG 77 MET 78 PHE 79 SER 80 GLU 81 GLY 82 SER 83 HIS 84 LYS 85 PRO 86 VAL 87 VAL 88 THR 89 PRO 90 ALA 91 PRO 92 THR 93 PRO 94 ALA 95 GLN 96 MET 97 PRO 98 SER 99 PRO 100 THR 101 SER 102 PHE 103 SER 104 ASP 105 SER 106 ILE 107 LYS 108 GLN 109 LEU 110 ALA 111 ALA 112 GLU 113 THR 114 LEU 115 PRO 116 LYS 117 TYR 118 MET 119 GLN 120 GLN 121 LEU 122 ASN 123 SER 124 LEU 125 ASP 126 ALA 127 GLU 128 MET 129 LEU 130 GLN 131 LYS 132 ASN 133 HIS 134 ASP 135 GLN 136 PHE 137 ALA 138 THR 139 GLY 140 SER 141 GLY 142 PRO 143 LEU 144 ARG 145 GLY 146 SER 147 ILE 148 THR 149 GLN 150 CYS 151 GLN 152 GLY 153 LEU 154 MET 155 GLN 156 PHE 157 CYS 158 GLY 159 GLY 160 GLU 161 LEU 162 GLN 163 ALA 164 GLU 165 ALA 166 SER 167 ALA 168 ILE 169 LEU 170 ASN 171 THR 172 PRO 173 VAL 174 CYS 175 GLY 176 ILE 177 PRO 178 PHE 179 SER 180 GLN 181 TRP 182 GLY 183 THR 184 ILE 185 GLY 186 GLY 187 ALA 188 ALA 189 SER 190 ALA 191 TYR 192 VAL 193 ALA 194 SER 195 GLY 196 VAL 197 ASP 198 LEU 199 THR 200 GLN 201 ALA 202 ALA 203 ASN 204 GLU 205 ILE 206 LYS 207 GLY 208 LEU 209 ALA 210 GLN 211 GLN 212 MET 213 GLN 214 LYS 215 LEU 216 LEU 217 SER 218 LEU 219 MET 220 LEU 221 GLU 222 HIS 223 HIS 224 HIS 225 HIS 226 HIS 227 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15878 YopE 100.00 227 99.12 99.12 2.54e-161 BMRB 7427 YopE_effector_domain 65.20 149 100.00 100.00 8.69e-104 EMBL CAA68609 "unnamed protein product [Yersinia pseudotuberculosis]" 96.48 219 99.09 99.09 1.47e-153 EMBL CAB54883 "putative outer membrane virulence protein [Yersinia pestis CO92]" 96.48 219 100.00 100.00 2.30e-155 EMBL CAF25368 "putative outer membrane virulence protein [Yersinia pseudotuberculosis IP 32953]" 96.48 219 100.00 100.00 2.30e-155 GB AAA27672 "virulence determinant (yopE) [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 GB AAC62587 "YopE [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 GB AAC69818 "targeted effector [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 GB AAS58592 "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" 96.48 219 100.00 100.00 2.30e-155 GB ABG16295 "outer membrane virulence protein [Yersinia pestis Antiqua]" 96.48 219 100.00 100.00 2.30e-155 REF NP_395143 "putative outer membrane virulence protein [Yersinia pestis CO92]" 96.48 219 100.00 100.00 2.30e-155 REF NP_857762 "YopE [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 REF NP_857967 "targeted effector [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 REF NP_995401 "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" 96.48 219 100.00 100.00 2.30e-155 REF WP_002213405 "outer membrane virulence protein YopE [Yersinia pestis]" 67.84 154 99.35 100.00 7.84e-107 SP P08008 "RecName: Full=Outer membrane virulence protein YopE [Yersinia pseudotuberculosis IP 32953]" 96.48 219 100.00 100.00 2.30e-155 SP P31493 "RecName: Full=Outer membrane virulence protein YopE [Yersinia pestis]" 96.48 219 100.00 100.00 2.30e-155 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $YopE 'Yersinia pseudotuberculosis' 633 Bacteria . Yersinia pseudotuberculosis 126 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $YopE 'recombinant technology' . Escherichia coli K12 BL21 pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Free_YopE _Saveframe_category sample _Sample_type solution _Details 'Contains refolded YopE. Concentration given refers to an assumed monomer.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $YopE . mM 0.08 0.2 '[U-95% 13C; U-95% 15N; 90% 2H]' D2O 5 % . . '[U-99.9% 2H]' H2O 95 % . . 'natural abundance' 'sodium phosphate pH6.1' 45 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'A cryoprobe was used.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Free_YopE save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Free_YopE save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Free_YopE save_ ####################### # Sample conditions # ####################### save_all_samples _Saveframe_category sample_conditions _Details 'All samples were analyzed in the following conditions.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.7 internal direct . . . 1.0 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_free_YopE_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $Free_YopE stop_ _Sample_conditions_label $all_samples _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YopE _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LYS CA C 56.322 . . 2 3 3 ILE H H 8.173 . . 3 3 3 ILE CA C 61.11 . . 4 3 3 ILE N N 124.259 . . 5 4 4 SER H H 8.305 . . 6 4 4 SER CA C 58.258 . . 7 4 4 SER N N 120.818 . . 8 5 5 SER H H 8.199 . . 9 5 5 SER CA C 58.39 . . 10 5 5 SER N N 118.249 . . 11 6 6 PHE H H 8.023 . . 12 6 6 PHE CA C 57.825 . . 13 6 6 PHE N N 122.475 . . 14 7 7 ILE H H 7.806 . . 15 7 7 ILE CA C 60.83 . . 16 7 7 ILE N N 123.499 . . 17 8 8 SER H H 8.177 . . 18 8 8 SER CA C 58.244 . . 19 8 8 SER N N 120.373 . . 20 9 9 THR H H 7.996 . . 21 9 9 THR CA C 61.774 . . 22 9 9 THR N N 116.215 . . 23 10 10 SER H H 8.08 . . 24 10 10 SER CA C 58.244 . . 25 10 10 SER N N 118.234 . . 26 11 11 LEU H H 8.086 . . 27 11 11 LEU CA C 52.968 . . 28 11 11 LEU N N 125.452 . . 29 12 12 PRO CA C 62.962 . . 30 13 13 LEU H H 8.116 . . 31 13 13 LEU CA C 52.898 . . 32 13 13 LEU N N 124.104 . . 33 14 14 PRO CA C 63.276 . . 34 15 15 THR H H 7.974 . . 35 15 15 THR CA C 61.948 . . 36 15 15 THR N N 114.011 . . 37 16 16 SER H H 8.08 . . 38 16 16 SER CA C 58.279 . . 39 16 16 SER N N 118.553 . . 40 17 17 VAL H H 7.996 . . 41 17 17 VAL CA C 62.403 . . 42 17 17 VAL N N 121.845 . . 43 18 18 SER H H 8.206 . . 44 18 18 SER CA C 58.524 . . 45 18 18 SER N N 119.522 . . 46 19 19 GLY H H 8.255 . . 47 19 19 GLY CA C 45.07 . . 48 19 19 GLY N N 111.626 . . 49 20 20 SER H H 8.058 . . 50 20 20 SER CA C 58.594 . . 51 20 20 SER N N 115.974 . . 52 21 21 SER H H 8.062 . . 53 21 21 SER CA C 58.349 . . 54 21 21 SER N N 117.196 . . 55 22 22 SER H H 8.016 . . 56 22 22 SER CA C 58.382 . . 57 22 22 SER N N 119.166 . . 58 23 23 VAL H H 7.939 . . 59 23 23 VAL CA C 62.793 . . 60 23 23 VAL N N 121.599 . . 61 24 24 GLY H H 8.219 . . 62 24 24 GLY CA C 44.93 . . 63 24 24 GLY N N 112.297 . . 64 25 25 GLU H H 8.08 . . 65 25 25 GLU CA C 56.81 . . 66 25 25 GLU N N 121.293 . . 67 26 26 MET H H 8.269 . . 68 26 26 MET CA C 55.623 . . 69 26 26 MET N N 121.542 . . 70 27 27 SER H H 8.136 . . 71 27 27 SER CA C 58.943 . . 72 27 27 SER N N 117.196 . . 73 28 28 GLY H H 8.269 . . 74 28 28 GLY CA C 45.167 . . 75 28 28 GLY N N 111.145 . . 76 29 29 ARG H H 7.876 . . 77 29 29 ARG CA C 56.043 . . 78 29 29 ARG N N 120.812 . . 79 30 30 SER H H 8.213 . . 80 30 30 SER CA C 58.279 . . 81 30 30 SER N N 117.683 . . 82 31 31 VAL H H 8.03 . . 83 31 31 VAL CA C 58.244 . . 84 31 31 VAL N N 122.15 . . 85 32 32 SER H H 8.164 . . 86 32 32 SER CA C 62.598 . . 87 32 32 SER N N 119.214 . . 88 33 33 GLN H H 8.199 . . 89 33 33 GLN CA C 56.043 . . 90 33 33 GLN N N 122.818 . . 91 34 34 GLN H H 8.207 . . 92 34 34 GLN CA C 56.043 . . 93 34 34 GLN N N 122.903 . . 94 35 35 THR H H 8.044 . . 95 35 35 THR CA C 62.123 . . 96 35 35 THR N N 115.408 . . 97 36 36 SER H H 8.177 . . 98 36 36 SER CA C 58.873 . . 99 36 36 SER N N 117.99 . . 100 37 37 ASP H H 8.192 . . 101 37 37 ASP CA C 54.68 . . 102 37 37 ASP N N 122.825 . . 103 38 38 GLN H H 8.037 . . 104 38 38 GLN CA C 56.672 . . 105 38 38 GLN N N 120.56 . . 106 39 39 TYR H H 7.904 . . 107 39 39 TYR CA C 58.209 . . 108 39 39 TYR N N 120.376 . . 109 40 40 ALA H H 7.984 . . 110 40 40 ALA CA C 52.898 . . 111 40 40 ALA N N 125.699 . . 112 41 41 ASN H H 8.072 . . 113 41 41 ASN CA C 53.492 . . 114 41 41 ASN N N 117.562 . . 115 42 42 ASN H H 8.101 . . 116 42 42 ASN CA C 58.349 . . 117 42 42 ASN N N 119.212 . . 118 43 43 LEU H H 7.954 . . 119 43 43 LEU CA C 55.519 . . 120 43 43 LEU N N 122.455 . . 121 44 44 ALA H H 7.932 . . 122 44 44 ALA CA C 52.723 . . 123 44 44 ALA N N 123.805 . . 124 45 45 GLY H H 8.073 . . 125 45 45 GLY CA C 45.105 . . 126 45 45 GLY N N 108.08 . . 127 46 46 ARG H H 7.89 . . 128 46 46 ARG CA C 56.043 . . 129 46 46 ARG N N 120.684 . . 130 47 47 THR H H 8.058 . . 131 47 47 THR CA C 62.088 . . 132 47 47 THR N N 116.034 . . 133 48 48 GLU H H 8.283 . . 134 48 48 GLU CA C 56.148 . . 135 48 48 GLU N N 123.864 . . 136 49 49 SER H H 8.255 . . 137 49 49 SER CA C 56.183 . . 138 49 49 SER N N 118.849 . . 139 50 50 PRO CA C 63.661 . . 140 51 51 GLN H H 8.314 . . 141 51 51 GLN CA C 56.113 . . 142 51 51 GLN N N 120.805 . . 143 52 52 GLY H H 8.234 . . 144 52 52 GLY CA C 44.895 . . 145 52 52 GLY N N 110.587 . . 146 53 53 SER H H 8.051 . . 147 53 53 SER CA C 58.384 . . 148 53 53 SER N N 116.032 . . 149 54 54 SER H H 8.092 . . 150 54 54 SER CA C 58.314 . . 151 54 54 SER N N 118.788 . . 152 55 55 LEU H H 7.813 . . 153 55 55 LEU CA C 52.863 . . 154 55 55 LEU N N 124.479 . . 155 56 56 ALA H H 8.066 . . 156 56 56 ALA CA C 53.352 . . 157 56 56 ALA N N 117.5 . . 158 59 59 ILE H H 7.805 . . 159 59 59 ILE CA C 60.9 . . 160 59 59 ILE N N 123.575 . . 161 60 60 ILE H H 7.806 . . 162 60 60 ILE CA C 60.859 . . 163 60 60 ILE N N 123.601 . . 164 61 61 GLU H H 8.282 . . 165 61 61 GLU CA C 58.139 . . 166 61 61 GLU N N 121.237 . . 167 64 64 SER CA C 58.319 . . 168 65 65 SER H H 8.199 . . 169 65 65 SER CA C 58.349 . . 170 65 65 SER N N 118.249 . . 171 66 66 VAL H H 8.002 . . 172 66 66 VAL CA C 62.438 . . 173 66 66 VAL N N 121.865 . . 174 67 67 ALA H H 8.402 . . 175 67 67 ALA CA C 53.317 . . 176 67 67 ALA N N 123.371 . . 177 72 72 GLY H H 8.254 . . 178 72 72 GLY CA C 45.245 . . 179 72 72 GLY N N 110.285 . . 180 75 75 GLN H H 8.444 . . 181 75 75 GLN CA C 55.108 . . 182 75 75 GLN N N 121.102 . . 183 76 76 ARG H H 7.954 . . 184 76 76 ARG CA C 56.881 . . 185 76 76 ARG N N 122.455 . . 186 77 77 MET H H 7.711 . . 187 77 77 MET CA C 57.775 . . 188 77 77 MET N N 120.438 . . 189 79 79 SER H H 7.478 . . 190 79 79 SER N N 115.431 . . 191 80 80 GLU H H 8.227 . . 192 80 80 GLU N N 122.821 . . 193 81 81 GLY H H 8.192 . . 194 81 81 GLY CA C 45.245 . . 195 81 81 GLY N N 109.729 . . 196 82 82 SER H H 7.947 . . 197 82 82 SER CA C 58.559 . . 198 82 82 SER N N 115.667 . . 199 83 83 HIS H H 8.24 . . 200 83 83 HIS CA C 56.078 . . 201 83 83 HIS N N 121.766 . . 202 84 84 LYS H H 8.072 . . 203 84 84 LYS CA C 57.231 . . 204 84 84 LYS N N 125.814 . . 205 85 85 PRO CA C 63.206 . . 206 86 86 VAL H H 8.129 . . 207 86 86 VAL CA C 62.577 . . 208 86 86 VAL N N 121.78 . . 209 87 87 VAL H H 8.093 . . 210 87 87 VAL CA C 62.018 . . 211 87 87 VAL N N 125.454 . . 212 88 88 THR H H 8.194 . . 213 88 88 THR CA C 59.992 . . 214 88 88 THR N N 122.822 . . 215 89 89 PRO CA C 62.962 . . 216 90 90 ALA H H 8.36 . . 217 90 90 ALA CA C 50.103 . . 218 90 90 ALA N N 125.821 . . 219 91 91 PRO CA C 63.102 . . 220 92 92 THR H H 8.118 . . 221 92 92 THR CA C 59.887 . . 222 92 92 THR N N 117.386 . . 223 93 93 PRO CA C 63.416 . . 224 94 94 ALA H H 8.135 . . 225 94 94 ALA CA C 52.478 . . 226 94 94 ALA N N 124.226 . . 227 95 95 GLN H H 8.079 . . 228 95 95 GLN CA C 55.414 . . 229 95 95 GLN N N 119.581 . . 230 96 96 MET H H 8.191 . . 231 96 96 MET CA C 53.142 . . 232 96 96 MET N N 123.675 . . 233 97 97 PRO CA C 62.956 . . 234 98 98 SER H H 8.304 . . 235 98 98 SER CA C 56.322 . . 236 98 98 SER N N 118.051 . . 237 100 100 THR H H 8.044 . . 238 100 100 THR N N 114.017 . . 239 101 101 SER H H 8.256 . . 240 101 101 SER N N 119.092 . . 241 102 102 PHE H H 8.443 . . 242 102 102 PHE N N 124.544 . . 243 103 103 SER H H 8.269 . . 244 103 103 SER N N 114.937 . . 245 104 104 ASP H H 7.953 . . 246 104 104 ASP N N 121.479 . . 247 105 105 SER H H 7.771 . . 248 105 105 SER N N 117.745 . . 249 106 106 ILE H H 7.463 . . 250 106 106 ILE N N 124.526 . . 251 107 107 LYS H H 7.827 . . 252 107 107 LYS N N 120.991 . . 253 108 108 GLN H H 7.876 . . 254 108 108 GLN N N 119.094 . . 255 109 109 LEU H H 7.645 . . 256 109 109 LEU N N 120.189 . . 257 110 110 ALA H H 8.115 . . 258 110 110 ALA N N 124.721 . . 259 111 111 ALA H H 8.276 . . 260 111 111 ALA N N 120.385 . . 261 112 112 GLU H H 7.365 . . 262 112 112 GLU N N 113.889 . . 263 113 113 THR H H 7.736 . . 264 113 113 THR N N 110.649 . . 265 114 114 LEU H H 8.612 . . 266 114 114 LEU N N 122.579 . . 267 116 116 LYS H H 6.923 . . 268 116 116 LYS N N 116.766 . . 269 117 117 TYR H H 7.112 . . 270 117 117 TYR N N 119.516 . . 271 118 118 MET H H 8.927 . . 272 118 118 MET N N 118.784 . . 273 119 119 GLN H H 7.505 . . 274 119 119 GLN N N 117.686 . . 275 120 120 GLN H H 7.337 . . 276 120 120 GLN N N 117.499 . . 277 121 121 LEU H H 8.086 . . 278 121 121 LEU N N 118.785 . . 279 122 122 ASN H H 7.799 . . 280 122 122 ASN N N 114.994 . . 281 123 123 SER H H 7.211 . . 282 123 123 SER N N 112.181 . . 283 124 124 LEU H H 7.014 . . 284 124 124 LEU N N 121.908 . . 285 125 125 ASP H H 6.902 . . 286 125 125 ASP N N 119.208 . . 287 126 126 ALA H H 8.64 . . 288 126 126 ALA N N 121.478 . . 289 127 127 GLU H H 7.926 . . 290 127 127 GLU N N 118.48 . . 291 128 128 MET H H 8.668 . . 292 128 128 MET N N 119.46 . . 293 129 129 LEU H H 8.178 . . 294 129 129 LEU N N 119.701 . . 295 130 130 GLN H H 8.093 . . 296 130 130 GLN N N 117.691 . . 297 131 131 LYS H H 7.89 . . 298 131 131 LYS N N 114.688 . . 299 132 132 ASN H H 7.785 . . 300 132 132 ASN N N 112.975 . . 301 133 133 HIS H H 7.758 . . 302 133 133 HIS N N 122.151 . . 303 134 134 ASP H H 8.234 . . 304 134 134 ASP N N 116.828 . . 305 135 135 GLN H H 7.512 . . 306 135 135 GLN N N 117.685 . . 307 136 136 PHE H H 8.556 . . 308 136 136 PHE N N 117.932 . . 309 137 137 ALA H H 8.065 . . 310 137 137 ALA N N 124.292 . . 311 138 138 THR H H 7.028 . . 312 138 138 THR N N 111.203 . . 313 139 139 GLY H H 8.732 . . 314 139 139 GLY N N 111.321 . . 315 140 140 SER H H 8.696 . . 316 140 140 SER N N 122.456 . . 317 141 141 GLY H H 8.535 . . 318 141 141 GLY N N 109.365 . . 319 143 143 LEU H H 7.505 . . 320 143 143 LEU N N 118.479 . . 321 144 144 ARG H H 7.603 . . 322 144 144 ARG N N 119.213 . . 323 145 145 GLY H H 8.843 . . 324 145 145 GLY N N 107.529 . . 325 146 146 SER H H 6.755 . . 326 146 146 SER N N 117.194 . . 327 147 147 ILE H H 7.631 . . 328 147 147 ILE N N 126.494 . . 329 148 148 THR H H 8.338 . . 330 148 148 THR N N 116.033 . . 331 150 150 CYS H H 8.745 . . 332 150 150 CYS N N 127.473 . . 333 151 151 GLN H H 9.74 . . 334 151 151 GLN N N 125.634 . . 335 152 152 GLY H H 7.988 . . 336 152 152 GLY N N 101.044 . . 337 153 153 LEU H H 7.575 . . 338 153 153 LEU N N 123.861 . . 339 154 154 MET H H 7.842 . . 340 154 154 MET N N 115.85 . . 341 155 155 GLN H H 7.918 . . 342 155 155 GLN N N 116.461 . . 343 156 156 PHE H H 7.982 . . 344 156 156 PHE N N 113.155 . . 345 157 157 CYS H H 7.428 . . 346 157 157 CYS N N 117.319 . . 347 158 158 GLY H H 7.974 . . 348 158 158 GLY N N 106.914 . . 349 159 159 GLY H H 8.34 . . 350 159 159 GLY N N 106.674 . . 351 160 160 GLU H H 8.893 . . 352 160 160 GLU N N 126.189 . . 353 161 161 LEU H H 8.213 . . 354 161 161 LEU N N 120.377 . . 355 162 162 GLN H H 6.734 . . 356 162 162 GLN N N 118.355 . . 357 163 163 ALA H H 7.673 . . 358 163 163 ALA N N 121.422 . . 359 164 164 GLU H H 8.451 . . 360 164 164 GLU N N 120.499 . . 361 165 165 ALA H H 7.96 . . 362 165 165 ALA N N 120.81 . . 363 166 166 SER H H 7.897 . . 364 166 166 SER N N 111.017 . . 365 167 167 ALA H H 7.813 . . 366 167 167 ALA N N 122.884 . . 367 168 168 ILE H H 7.708 . . 368 168 168 ILE N N 120.453 . . 369 169 169 LEU H H 7.68 . . 370 169 169 LEU N N 117.197 . . 371 170 170 ASN H H 7.666 . . 372 170 170 ASN N N 112.241 . . 373 171 171 THR H H 7.582 . . 374 171 171 THR N N 122.15 . . 375 173 173 VAL H H 8.101 . . 376 173 173 VAL N N 117.381 . . 377 174 174 CYS H H 8.921 . . 378 174 174 CYS N N 120.495 . . 379 175 175 GLY H H 7.813 . . 380 175 175 GLY N N 108.508 . . 381 176 176 ILE H H 7.553 . . 382 176 176 ILE N N 121.657 . . 383 178 178 PHE H H 8.865 . . 384 178 178 PHE N N 126.546 . . 385 179 179 SER H H 8.563 . . 386 179 179 SER N N 109.851 . . 387 180 180 GLN H H 8.298 . . 388 180 180 GLN N N 120.801 . . 389 181 181 TRP H H 8.528 . . 390 181 181 TRP N N 120.865 . . 391 182 182 GLY H H 7.267 . . 392 182 182 GLY N N 108.447 . . 393 183 183 THR H H 6.559 . . 394 183 183 THR N N 113.158 . . 395 184 184 ILE H H 8.198 . . 396 184 184 ILE N N 122.415 . . 397 185 185 GLY H H 8.374 . . 398 185 185 GLY N N 110.897 . . 399 186 186 GLY H H 8.437 . . 400 186 186 GLY N N 110.646 . . 401 187 187 ALA H H 7.967 . . 402 187 187 ALA N N 121.78 . . 403 188 188 ALA H H 8.213 . . 404 188 188 ALA N N 125.155 . . 405 189 189 SER H H 8.829 . . 406 189 189 SER N N 116.463 . . 407 190 190 ALA H H 7.687 . . 408 190 190 ALA N N 124.23 . . 409 191 191 TYR H H 7.758 . . 410 191 191 TYR N N 122.151 . . 411 192 192 VAL H H 8.304 . . 412 192 192 VAL N N 120.497 . . 413 193 193 ALA H H 7.525 . . 414 193 193 ALA N N 119.519 . . 415 194 194 SER H H 7.392 . . 416 194 194 SER N N 114.196 . . 417 195 195 GLY H H 7.813 . . 418 195 195 GLY N N 111.606 . . 419 196 196 VAL H H 6.853 . . 420 196 196 VAL N N 118.051 . . 421 197 197 ASP H H 8.086 . . 422 197 197 ASP N N 123.068 . . 423 198 198 LEU H H 8.766 . . 424 198 198 LEU N N 129.006 . . 425 199 199 THR H H 8.557 . . 426 199 199 THR N N 120.377 . . 427 200 200 GLN H H 8.227 . . 428 200 200 GLN N N 122.089 . . 429 201 201 ALA H H 8.037 . . 430 201 201 ALA N N 121.961 . . 431 202 202 ALA H H 8.199 . . 432 202 202 ALA N N 118.48 . . 433 203 203 ASN H H 8.266 . . 434 203 203 ASN N N 116.896 . . 435 204 204 GLU H H 8.704 . . 436 204 204 GLU N N 123.5 . . 437 205 205 ILE H H 8.332 . . 438 205 205 ILE N N 122.943 . . 439 206 206 LYS H H 8.234 . . 440 206 206 LYS N N 121.349 . . 441 207 207 GLY H H 7.841 . . 442 207 207 GLY N N 106.856 . . 443 208 208 LEU H H 7.47 . . 444 208 208 LEU N N 125.579 . . 445 209 209 ALA H H 8.241 . . 446 209 209 ALA N N 123.31 . . 447 210 210 GLN H H 7.511 . . 448 210 210 GLN N N 116.643 . . 449 211 211 GLN H H 7.75 . . 450 211 211 GLN N N 122.945 . . 451 212 212 MET H H 8.031 . . 452 212 212 MET N N 118.783 . . 453 213 213 GLN H H 7.525 . . 454 213 213 GLN N N 119.519 . . 455 214 214 LYS H H 7.8 . . 456 214 214 LYS N N 119.458 . . 457 215 215 LEU H H 7.154 . . 458 215 215 LEU N N 116.948 . . 459 216 216 LEU H H 7.112 . . 460 216 216 LEU N N 116.888 . . 461 217 217 SER H H 7.995 . . 462 217 217 SER N N 115.115 . . 463 218 218 LEU H H 7.708 . . 464 218 218 LEU N N 121.654 . . 465 219 219 MET H H 7.61 . . 466 219 219 MET N N 117.44 . . 467 220 220 LEU H H 7.484 . . 468 220 220 LEU N N 119.583 . . 469 221 221 GLU H H 7.733 . . 470 221 221 GLU N N 120.129 . . stop_ save_