data_7427 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Yersinia pseudotuberculosis type III secretion effector YopE. ; _BMRB_accession_number 7427 _BMRB_flat_file_name bmr7427.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" 129 "15N chemical shifts" 129 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' 7426 'YopE free state' 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 'YopE effector domain' $YopE_effector_domain 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 99.33 227 98.65 98.65 3.94e-102 BMRB 7426 YopE 99.33 227 100.00 100.00 5.71e-104 EMBL CAA68609 "unnamed protein product [Yersinia pseudotuberculosis]" 93.96 219 98.57 98.57 7.30e-95 EMBL CAB54883 "putative outer membrane virulence protein [Yersinia pestis CO92]" 93.96 219 100.00 100.00 1.33e-96 EMBL CAF25368 "putative outer membrane virulence protein [Yersinia pseudotuberculosis IP 32953]" 93.96 219 100.00 100.00 1.33e-96 GB AAA27672 "virulence determinant (yopE) [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 GB AAC62587 "YopE [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 GB AAC69818 "targeted effector [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 GB AAS58592 "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" 93.96 219 100.00 100.00 1.33e-96 GB ABG16295 "outer membrane virulence protein [Yersinia pestis Antiqua]" 93.96 219 100.00 100.00 1.33e-96 REF NP_395143 "putative outer membrane virulence protein [Yersinia pestis CO92]" 93.96 219 100.00 100.00 1.33e-96 REF NP_857762 "YopE [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 REF NP_857967 "targeted effector [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 REF NP_995401 "putative outer membrane virulence protein YopE [Yersinia pestis biovar Microtus str. 91001]" 93.96 219 100.00 100.00 1.33e-96 REF WP_002213405 "outer membrane virulence protein YopE [Yersinia pestis]" 93.96 154 100.00 100.00 5.91e-96 SP P08008 "RecName: Full=Outer membrane virulence protein YopE [Yersinia pseudotuberculosis IP 32953]" 93.96 219 100.00 100.00 1.33e-96 SP P31493 "RecName: Full=Outer membrane virulence protein YopE [Yersinia pestis]" 93.96 219 100.00 100.00 1.33e-96 stop_ save_ save_YopE_effector_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YopE_effector_domain _Molecular_mass 15876.0 _Mol_thiol_state unknown _Details . _Residue_count 149 _Mol_residue_sequence ; MEGSHKPVVTPAPTPAQMPS PTSFSDSIKQLAAETLPKYM QQLNSLDAEMLQKNHDQFAT GSGPLRGSITQCQGLMQFCG GELQAEASAILNTPVCGIPF SQWGTIGGAASAYVASGVDL TQAANEIKGLAQQMQKLLSL MLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 79 MET 2 80 GLU 3 81 GLY 4 82 SER 5 83 HIS 6 84 LYS 7 85 PRO 8 86 VAL 9 87 VAL 10 88 THR 11 89 PRO 12 90 ALA 13 91 PRO 14 92 THR 15 93 PRO 16 94 ALA 17 95 GLN 18 96 MET 19 97 PRO 20 98 SER 21 99 PRO 22 100 THR 23 101 SER 24 102 PHE 25 103 SER 26 104 ASP 27 105 SER 28 106 ILE 29 107 LYS 30 108 GLN 31 109 LEU 32 110 ALA 33 111 ALA 34 112 GLU 35 113 THR 36 114 LEU 37 115 PRO 38 116 LYS 39 117 TYR 40 118 MET 41 119 GLN 42 120 GLN 43 121 LEU 44 122 ASN 45 123 SER 46 124 LEU 47 125 ASP 48 126 ALA 49 127 GLU 50 128 MET 51 129 LEU 52 130 GLN 53 131 LYS 54 132 ASN 55 133 HIS 56 134 ASP 57 135 GLN 58 136 PHE 59 137 ALA 60 138 THR 61 139 GLY 62 140 SER 63 141 GLY 64 142 PRO 65 143 LEU 66 144 ARG 67 145 GLY 68 146 SER 69 147 ILE 70 148 THR 71 149 GLN 72 150 CYS 73 151 GLN 74 152 GLY 75 153 LEU 76 154 MET 77 155 GLN 78 156 PHE 79 157 CYS 80 158 GLY 81 159 GLY 82 160 GLU 83 161 LEU 84 162 GLN 85 163 ALA 86 164 GLU 87 165 ALA 88 166 SER 89 167 ALA 90 168 ILE 91 169 LEU 92 170 ASN 93 171 THR 94 172 PRO 95 173 VAL 96 174 CYS 97 175 GLY 98 176 ILE 99 177 PRO 100 178 PHE 101 179 SER 102 180 GLN 103 181 TRP 104 182 GLY 105 183 THR 106 184 ILE 107 185 GLY 108 186 GLY 109 187 ALA 110 188 ALA 111 189 SER 112 190 ALA 113 191 TYR 114 192 VAL 115 193 ALA 116 194 SER 117 195 GLY 118 196 VAL 119 197 ASP 120 198 LEU 121 199 THR 122 200 GLN 123 201 ALA 124 202 ALA 125 203 ASN 126 204 GLU 127 205 ILE 128 206 LYS 129 207 GLY 130 208 LEU 131 209 ALA 132 210 GLN 133 211 GLN 134 212 MET 135 213 GLN 136 214 LYS 137 215 LEU 138 216 LEU 139 217 SER 140 218 LEU 141 219 MET 142 220 LEU 143 221 GLU 144 222 HIS 145 223 HIS 146 224 HIS 147 225 HIS 148 226 HIS 149 227 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $YopE_effector_domain '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 $YopE_effector_domain 'recombinant technology' . Escherichia coli K12 BL21 pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_YopE_effector_domain_sample _Saveframe_category sample _Sample_type solution _Details 'Contains the natively folded YopE effector domain. Concentration given refers to an assumed monomer.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YopE 2.8 mM '[U-95% 15N]' 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 $YopE_effector_domain_sample 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_YopE_effector_domain_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $YopE_effector_domain_sample stop_ _Sample_conditions_label $all_samples _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'YopE effector domain' _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 81 3 GLY H H 8.401 . . 2 81 3 GLY N N 111.04 . . 3 82 4 SER H H 7.994 . . 4 82 4 SER N N 116.064 . . 5 86 8 VAL H H 8.133 . . 6 86 8 VAL N N 121.822 . . 7 87 9 VAL H H 8.092 . . 8 87 9 VAL N N 125.493 . . 9 88 10 THR H H 8.2 . . 10 88 10 THR N N 122.787 . . 11 90 12 ALA H H 8.375 . . 12 90 12 ALA N N 125.7 . . 13 92 14 THR H H 8.106 . . 14 92 14 THR N N 117.473 . . 15 94 16 ALA H H 8.14 . . 16 94 16 ALA N N 124.276 . . 17 95 17 GLN H H 8.084 . . 18 95 17 GLN N N 119.618 . . 19 96 18 MET H H 8.203 . . 20 96 18 MET N N 123.664 . . 21 98 20 SER H H 8.308 . . 22 98 20 SER N N 118.019 . . 23 100 22 THR H H 8.035 . . 24 100 22 THR N N 113.979 . . 25 101 23 SER H H 8.238 . . 26 101 23 SER N N 119.068 . . 27 102 24 PHE H H 8.42 . . 28 102 24 PHE N N 124.399 . . 29 103 25 SER H H 8.266 . . 30 103 25 SER N N 114.709 . . 31 104 26 ASP H H 7.958 . . 32 104 26 ASP N N 121.273 . . 33 105 27 SER H H 7.769 . . 34 105 27 SER N N 117.719 . . 35 106 28 ILE H H 7.517 . . 36 106 28 ILE N N 124.396 . . 37 107 29 LYS H H 7.825 . . 38 107 29 LYS N N 121.086 . . 39 108 30 GLN H H 7.846 . . 40 108 30 GLN N N 119.007 . . 41 109 31 LEU H H 7.63 . . 42 109 31 LEU N N 120.168 . . 43 110 32 ALA H H 8.119 . . 44 110 32 ALA N N 124.764 . . 45 111 33 ALA H H 8.273 . . 46 111 33 ALA N N 120.353 . . 47 112 34 GLU H H 7.335 . . 48 112 34 GLU N N 113.793 . . 49 113 35 THR H H 7.72 . . 50 113 35 THR N N 110.604 . . 51 114 36 LEU H H 8.609 . . 52 114 36 LEU N N 122.499 . . 53 116 38 LYS H H 6.923 . . 54 116 38 LYS N N 116.734 . . 55 117 39 TYR H H 7.091 . . 56 117 39 TYR N N 119.493 . . 57 118 40 MET H H 8.909 . . 58 118 40 MET N N 118.696 . . 59 119 41 GLN H H 7.497 . . 60 119 41 GLN N N 117.843 . . 61 120 42 GLN H H 7.322 . . 62 120 42 GLN N N 117.411 . . 63 121 43 LEU H H 8.07 . . 64 121 43 LEU N N 118.759 . . 65 122 44 ASN H H 7.79 . . 66 122 44 ASN N N 114.958 . . 67 123 45 SER H H 7.202 . . 68 123 45 SER N N 112.139 . . 69 124 46 LEU H H 7.007 . . 70 124 46 LEU N N 121.883 . . 71 125 47 ASP H H 6.888 . . 72 125 47 ASP N N 119.127 . . 73 126 48 ALA H H 8.637 . . 74 126 48 ALA N N 121.456 . . 75 127 49 GLU H H 7.916 . . 76 127 49 GLU N N 118.392 . . 77 128 50 MET H H 8.65 . . 78 128 50 MET N N 119.371 . . 79 129 51 LEU H H 8.175 . . 80 129 51 LEU N N 119.677 . . 81 130 52 GLN H H 8.091 . . 82 130 52 GLN N N 117.715 . . 83 131 53 LYS H H 7.881 . . 84 131 53 LYS N N 114.652 . . 85 132 54 ASN H H 7.762 . . 86 132 54 ASN N N 112.875 . . 87 133 55 HIS H H 7.744 . . 88 133 55 HIS N N 122.136 . . 89 134 56 ASP H H 8.224 . . 90 134 56 ASP N N 116.796 . . 91 135 57 GLN H H 7.51 . . 92 135 57 GLN N N 117.655 . . 93 136 58 PHE H H 8.559 . . 94 136 58 PHE N N 117.897 . . 95 137 59 ALA H H 8.05 . . 96 137 59 ALA N N 124.215 . . 97 138 60 THR H H 7.021 . . 98 138 60 THR N N 111.22 . . 99 139 61 GLY H H 8.735 . . 100 139 61 GLY N N 111.226 . . 101 140 62 SER H H 8.699 . . 102 140 62 SER N N 122.376 . . 103 141 63 GLY H H 8.524 . . 104 141 63 GLY N N 109.319 . . 105 143 65 LEU H H 7.489 . . 106 143 65 LEU N N 118.451 . . 107 144 66 ARG H H 7.588 . . 108 144 66 ARG N N 119.126 . . 109 145 67 GLY H H 8.818 . . 110 145 67 GLY N N 107.486 . . 111 146 68 SER H H 6.741 . . 112 146 68 SER N N 117.168 . . 113 147 69 ILE H H 7.615 . . 114 147 69 ILE N N 126.484 . . 115 148 70 THR H H 8.315 . . 116 148 70 THR N N 116.061 . . 117 149 71 GLN H H 7.848 . . 118 149 71 GLN N N 120.411 . . 119 150 72 CYS H H 8.722 . . 120 150 72 CYS N N 127.399 . . 121 151 73 GLN H H 9.714 . . 122 151 73 GLN N N 125.57 . . 123 152 74 GLY H H 7.994 . . 124 152 74 GLY N N 101.05 . . 125 153 75 LEU H H 7.566 . . 126 153 75 LEU N N 123.788 . . 127 154 76 MET H H 7.832 . . 128 154 76 MET N N 115.891 . . 129 155 77 GLN H H 7.895 . . 130 155 77 GLN N N 116.396 . . 131 156 78 PHE H H 7.959 . . 132 156 78 PHE N N 112.997 . . 133 157 79 CYS H H 7.413 . . 134 157 79 CYS N N 117.285 . . 135 158 80 GLY H H 7.965 . . 136 158 80 GLY N N 106.744 . . 137 159 81 GLY H H 8.343 . . 138 159 81 GLY N N 106.621 . . 139 160 82 GLU H H 8.896 . . 140 160 82 GLU N N 126.174 . . 141 161 83 LEU H H 8.216 . . 142 161 83 LEU N N 120.354 . . 143 162 84 GLN H H 6.713 . . 144 162 84 GLN N N 118.273 . . 145 163 85 ALA H H 7.663 . . 146 163 85 ALA N N 121.39 . . 147 164 86 GLU H H 8.44 . . 148 164 86 GLU N N 120.478 . . 149 165 87 ALA H H 7.944 . . 150 165 87 ALA N N 122.432 . . 151 166 88 SER H H 7.881 . . 152 166 88 SER N N 110.975 . . 153 167 89 ALA H H 7.803 . . 154 167 89 ALA N N 122.807 . . 155 168 90 ILE H H 7.699 . . 156 168 90 ILE N N 120.355 . . 157 169 91 LEU H H 7.671 . . 158 169 91 LEU N N 117.169 . . 159 170 92 ASN H H 7.658 . . 160 170 92 ASN N N 112.202 . . 161 171 93 THR H H 7.567 . . 162 171 93 THR N N 122.13 . . 163 173 95 VAL H H 8.106 . . 164 173 95 VAL N N 117.473 . . 165 174 96 CYS H H 8.903 . . 166 174 96 CYS N N 120.478 . . 167 175 97 GLY H H 7.839 . . 168 175 97 GLY N N 108.463 . . 169 176 98 ILE H H 7.505 . . 170 176 98 ILE N N 121.646 . . 171 178 100 PHE H H 8.853 . . 172 178 100 PHE N N 126.487 . . 173 179 101 SER H H 8.552 . . 174 179 101 SER N N 109.75 . . 175 180 102 GLN H H 8.297 . . 176 180 102 GLN N N 120.829 . . 177 181 103 TRP H H 8.511 . . 178 181 103 TRP N N 120.84 . . 179 182 104 GLY H H 7.258 . . 180 182 104 GLY N N 108.46 . . 181 183 105 THR H H 6.545 . . 182 183 105 THR N N 113.184 . . 183 184 106 ILE H H 8.218 . . 184 184 106 ILE N N 122.598 . . 185 185 107 GLY H H 8.357 . . 186 185 107 GLY N N 110.85 . . 187 186 108 GLY H H 8.426 . . 188 186 108 GLY N N 110.543 . . 189 187 109 ALA H H 7.964 . . 190 187 109 ALA N N 121.758 . . 191 188 110 ALA H H 8.196 . . 192 188 110 ALA N N 125.069 . . 193 189 111 SER H H 8.825 . . 194 189 111 SER N N 116.368 . . 195 190 112 ALA H H 7.678 . . 196 190 112 ALA N N 124.215 . . 197 191 113 TYR H H 7.741 . . 198 191 113 TYR N N 122.123 . . 199 192 114 VAL H H 8.294 . . 200 192 114 VAL N N 120.472 . . 201 193 115 ALA H H 7.512 . . 202 193 115 ALA N N 119.492 . . 203 194 116 SER H H 7.376 . . 204 194 116 SER N N 114.162 . . 205 195 117 GLY H H 7.797 . . 206 195 117 GLY N N 111.456 . . 207 196 118 VAL H H 6.852 . . 208 196 118 VAL N N 118.087 . . 209 197 119 ASP H H 8.092 . . 210 197 119 ASP N N 123.11 . . 211 198 120 LEU H H 8.763 . . 212 198 120 LEU N N 129.044 . . 213 199 121 THR H H 8.545 . . 214 199 121 THR N N 120.354 . . 215 200 122 GLN H H 8.224 . . 216 200 122 GLN N N 122.128 . . 217 201 123 ALA H H 8.05 . . 218 201 123 ALA N N 122.073 . . 219 202 124 ALA H H 8.196 . . 220 202 124 ALA N N 118.392 . . 221 203 125 ASN H H 8.252 . . 222 203 125 ASN N N 116.857 . . 223 204 126 GLU H H 8.693 . . 224 204 126 GLU N N 123.477 . . 225 205 127 ILE H H 8.321 . . 226 205 127 ILE N N 122.931 . . 227 206 128 LYS H H 8.231 . . 228 206 128 LYS N N 121.331 . . 229 207 129 GLY H H 7.893 . . 230 207 129 GLY N N 106.805 . . 231 208 130 LEU H H 7.454 . . 232 208 130 LEU N N 125.508 . . 233 209 131 ALA H H 8.232 . . 234 209 131 ALA N N 123.3 . . 235 210 132 GLN H H 7.503 . . 236 210 132 GLN N N 116.619 . . 237 211 133 GLN H H 7.748 . . 238 211 133 GLN N N 122.929 . . 239 212 134 MET H H 8.014 . . 240 212 134 MET N N 118.7 . . 241 213 135 GLN H H 7.514 . . 242 213 135 GLN N N 119.447 . . 243 214 136 LYS H H 7.677 . . 244 214 136 LYS N N 119.364 . . 245 215 137 LEU H H 7.133 . . 246 215 137 LEU N N 116.791 . . 247 216 138 LEU H H 7.083 . . 248 216 138 LEU N N 116.732 . . 249 217 139 SER H H 7.986 . . 250 217 139 SER N N 115.081 . . 251 218 140 LEU H H 7.699 . . 252 218 140 LEU N N 121.582 . . 253 219 141 MET H H 7.593 . . 254 219 141 MET N N 117.405 . . 255 220 142 LEU H H 7.447 . . 256 220 142 LEU N N 119.556 . . 257 221 143 GLU H H 7.733 . . 258 221 143 GLU N N 120.227 . . stop_ save_