data_30284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone structure of the Yersinia pestis outer membrane protein Ail in phospholipid bilayer nanodisc ; _BMRB_accession_number 30284 _BMRB_flat_file_name bmr30284.str _Entry_type original _Submission_date 2017-04-19 _Accession_date 2017-04-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta S. K. . 2 Yong Y. . . 3 Marassi F. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 91 "13C chemical shifts" 94 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-03 update BMRB 'update entry citation' 2017-05-15 original author 'original release' stop_ _Original_release_date 2017-05-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insights into the Yersinia pestis Outer Membrane Protein Ail in Lipid Bilayers ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28726410 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta S. K. . 2 Yong Y. . . 3 Marassi F. M. . stop_ _Journal_abbreviation 'J. Phys. Chem. B' _Journal_name_full 'The journal of physical chemistry. B' _Journal_volume 121 _Journal_issue 32 _Journal_ISSN 1520-5207 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7561 _Page_last 7570 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Adhesion invasion locus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17492.400 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; EGESSISIGYAQSRVKEDGY KLDKNPRGFNLKYRYEFNND WGVIGSFAQTRRGFEESVDG FKLIDGDFKYYSVTAGPVFR INEYVSLYGLLGAGHGKAKF SSIFGQSESRSKTSLAYGAG LQFNPHPNFVIDASYEYSKL DDVKVGTWMLGAGYRF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLY 3 GLU 4 SER 5 SER 6 ILE 7 SER 8 ILE 9 GLY 10 TYR 11 ALA 12 GLN 13 SER 14 ARG 15 VAL 16 LYS 17 GLU 18 ASP 19 GLY 20 TYR 21 LYS 22 LEU 23 ASP 24 LYS 25 ASN 26 PRO 27 ARG 28 GLY 29 PHE 30 ASN 31 LEU 32 LYS 33 TYR 34 ARG 35 TYR 36 GLU 37 PHE 38 ASN 39 ASN 40 ASP 41 TRP 42 GLY 43 VAL 44 ILE 45 GLY 46 SER 47 PHE 48 ALA 49 GLN 50 THR 51 ARG 52 ARG 53 GLY 54 PHE 55 GLU 56 GLU 57 SER 58 VAL 59 ASP 60 GLY 61 PHE 62 LYS 63 LEU 64 ILE 65 ASP 66 GLY 67 ASP 68 PHE 69 LYS 70 TYR 71 TYR 72 SER 73 VAL 74 THR 75 ALA 76 GLY 77 PRO 78 VAL 79 PHE 80 ARG 81 ILE 82 ASN 83 GLU 84 TYR 85 VAL 86 SER 87 LEU 88 TYR 89 GLY 90 LEU 91 LEU 92 GLY 93 ALA 94 GLY 95 HIS 96 GLY 97 LYS 98 ALA 99 LYS 100 PHE 101 SER 102 SER 103 ILE 104 PHE 105 GLY 106 GLN 107 SER 108 GLU 109 SER 110 ARG 111 SER 112 LYS 113 THR 114 SER 115 LEU 116 ALA 117 TYR 118 GLY 119 ALA 120 GLY 121 LEU 122 GLN 123 PHE 124 ASN 125 PRO 126 HIS 127 PRO 128 ASN 129 PHE 130 VAL 131 ILE 132 ASP 133 ALA 134 SER 135 TYR 136 GLU 137 TYR 138 SER 139 LYS 140 LEU 141 ASP 142 ASP 143 VAL 144 LYS 145 VAL 146 GLY 147 THR 148 TRP 149 MET 150 LEU 151 GLY 152 ALA 153 GLY 154 TYR 155 ARG 156 PHE 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 _Gene_mnemonic $entity_1 'Yersinia pestis' 632 Bacteria . Yersinia pestis 'AVJ24_14645, AVO31_14870' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type membrane _Details ; 0.66 mM [U-13C; U-15N; U-2H] Ail, 49.5 mM DMPC, 16.5 mM DMPG, 5 mM sodium chloride, 25 mM sodium phosphate, 90% H2O/10% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.66 mM '[U-13C; U-15N; U-2H]' DMPC 49.5 mM 'natural abundance' DMPG 16.5 mM 'natural abundance' 'sodium chloride' 5 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_15N-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' '3D 15N-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 GLY H H 8.341 0.01 1 2 2 2 GLY CA C 44.778 0.14 1 3 2 2 GLY N N 111.657 0.14 1 4 3 3 GLU H H 7.498 0.01 1 5 3 3 GLU CA C 56.842 0.14 1 6 3 3 GLU N N 118.180 0.14 1 7 5 5 SER H H 8.711 0.01 1 8 5 5 SER CA C 57.317 0.14 1 9 5 5 SER N N 114.846 0.14 1 10 6 6 ILE H H 9.064 0.01 1 11 6 6 ILE CA C 58.507 0.14 1 12 6 6 ILE N N 125.801 0.14 1 13 7 7 SER H H 9.062 0.01 1 14 7 7 SER CA C 56.561 0.14 1 15 7 7 SER N N 118.948 0.14 1 16 8 8 ILE H H 8.736 0.01 1 17 8 8 ILE CA C 58.360 0.14 1 18 8 8 ILE N N 119.953 0.14 1 19 9 9 GLY H H 9.115 0.01 1 20 9 9 GLY CA C 45.382 0.14 1 21 9 9 GLY N N 109.831 0.14 1 22 10 10 TYR H H 8.839 0.01 1 23 10 10 TYR CA C 56.693 0.14 1 24 10 10 TYR N N 122.199 0.14 1 25 11 11 ALA H H 6.842 0.01 1 26 11 11 ALA CA C 48.354 0.14 1 27 11 11 ALA N N 126.929 0.14 1 28 12 12 GLN H H 7.750 0.01 1 29 12 12 GLN CA C 54.750 0.14 1 30 12 12 GLN N N 118.732 0.14 1 31 23 23 ASP H H 8.127 0.01 1 32 23 23 ASP CA C 51.885 0.14 1 33 23 23 ASP N N 114.643 0.14 1 34 26 26 PRO CA C 62.884 0.14 1 35 27 27 ARG H H 8.212 0.01 1 36 27 27 ARG CA C 54.299 0.14 1 37 27 27 ARG N N 120.938 0.14 1 38 28 28 GLY H H 8.652 0.01 1 39 28 28 GLY CA C 47.090 0.14 1 40 28 28 GLY N N 111.436 0.14 1 41 29 29 PHE H H 8.552 0.01 1 42 29 29 PHE CA C 54.750 0.14 1 43 29 29 PHE N N 121.574 0.14 1 44 30 30 ASN H H 8.546 0.01 1 45 30 30 ASN CA C 50.133 0.14 1 46 30 30 ASN N N 116.935 0.14 1 47 31 31 LEU H H 9.121 0.01 1 48 31 31 LEU CA C 53.888 0.14 1 49 31 31 LEU N N 128.531 0.14 1 50 32 32 LYS H H 8.668 0.01 1 51 32 32 LYS CA C 55.854 0.14 1 52 32 32 LYS N N 119.457 0.14 1 53 33 33 TYR H H 8.469 0.01 1 54 33 33 TYR CA C 56.058 0.14 1 55 33 33 TYR N N 120.526 0.14 1 56 34 34 ARG H H 8.496 0.01 1 57 34 34 ARG CA C 52.176 0.14 1 58 34 34 ARG N N 129.254 0.14 1 59 35 35 TYR H H 8.645 0.01 1 60 35 35 TYR CA C 56.777 0.14 1 61 35 35 TYR N N 124.579 0.14 1 62 41 41 TRP HE1 H 10.559 0.01 1 63 41 41 TRP CA C 56.418 0.14 1 64 41 41 TRP NE1 N 128.954 0.14 1 65 42 42 GLY H H 8.658 0.01 1 66 42 42 GLY CA C 45.942 0.14 1 67 42 42 GLY N N 107.726 0.14 1 68 43 43 VAL H H 8.927 0.01 1 69 43 43 VAL CA C 58.685 0.14 1 70 43 43 VAL N N 117.395 0.14 1 71 44 44 ILE H H 9.029 0.01 1 72 44 44 ILE CA C 58.104 0.14 1 73 44 44 ILE N N 125.539 0.14 1 74 45 45 GLY H H 8.957 0.01 1 75 45 45 GLY CA C 43.205 0.14 1 76 45 45 GLY N N 110.424 0.14 1 77 46 46 SER H H 9.223 0.01 1 78 46 46 SER CA C 56.279 0.14 1 79 46 46 SER N N 116.169 0.14 1 80 47 47 PHE H H 8.885 0.01 1 81 47 47 PHE CA C 55.021 0.14 1 82 47 47 PHE N N 126.564 0.14 1 83 48 48 ALA H H 8.500 0.01 1 84 48 48 ALA CA C 49.921 0.14 1 85 48 48 ALA N N 133.031 0.14 1 86 49 49 GLN H H 7.530 0.01 1 87 49 49 GLN CA C 53.824 0.14 1 88 49 49 GLN N N 115.882 0.14 1 89 50 50 THR H H 9.305 0.01 1 90 50 50 THR CA C 59.279 0.14 1 91 50 50 THR N N 115.626 0.14 1 92 66 66 GLY H H 8.206 0.01 1 93 66 66 GLY N N 106.022 0.14 1 94 70 70 TYR H H 8.729 0.01 1 95 70 70 TYR CA C 55.237 0.14 1 96 70 70 TYR N N 123.108 0.14 1 97 71 71 TYR H H 8.443 0.01 1 98 71 71 TYR CA C 54.750 0.14 1 99 71 71 TYR N N 123.387 0.14 1 100 72 72 SER H H 8.758 0.01 1 101 72 72 SER CA C 55.716 0.14 1 102 72 72 SER N N 113.909 0.14 1 103 73 73 VAL H H 8.129 0.01 1 104 73 73 VAL CA C 60.249 0.14 1 105 73 73 VAL N N 118.409 0.14 1 106 74 74 THR H H 9.238 0.01 1 107 74 74 THR CA C 59.231 0.14 1 108 74 74 THR N N 115.604 0.14 1 109 75 75 ALA H H 9.012 0.01 1 110 75 75 ALA CA C 51.214 0.14 1 111 75 75 ALA N N 118.971 0.14 1 112 76 76 GLY H H 8.762 0.01 1 113 76 76 GLY CA C 46.006 0.14 1 114 76 76 GLY N N 103.004 0.14 1 115 77 77 PRO CA C 61.502 0.14 1 116 78 78 VAL H H 8.236 0.01 1 117 78 78 VAL CA C 58.392 0.14 1 118 78 78 VAL N N 115.601 0.14 1 119 79 79 PHE H H 9.457 0.01 1 120 79 79 PHE CA C 54.929 0.14 1 121 79 79 PHE N N 130.925 0.14 1 122 80 80 ARG H H 8.812 0.01 1 123 80 80 ARG CA C 55.448 0.14 1 124 80 80 ARG N N 131.491 0.14 1 125 81 81 ILE H H 8.141 0.01 1 126 81 81 ILE CA C 63.122 0.14 1 127 81 81 ILE N N 127.124 0.14 1 128 82 82 ASN H H 7.812 0.01 1 129 82 82 ASN CA C 51.740 0.14 1 130 82 82 ASN N N 112.923 0.14 1 131 83 83 GLU H H 9.023 0.01 1 132 83 83 GLU CA C 58.798 0.14 1 133 83 83 GLU N N 115.906 0.14 1 134 84 84 TYR H H 8.095 0.01 1 135 84 84 TYR CA C 58.598 0.14 1 136 84 84 TYR N N 113.771 0.14 1 137 85 85 VAL H H 7.817 0.01 1 138 85 85 VAL CA C 61.040 0.14 1 139 85 85 VAL N N 117.600 0.14 1 140 86 86 SER H H 8.214 0.01 1 141 86 86 SER CA C 56.710 0.14 1 142 86 86 SER N N 118.974 0.14 1 143 87 87 LEU H H 9.167 0.01 1 144 87 87 LEU CA C 53.693 0.14 1 145 87 87 LEU N N 124.178 0.14 1 146 88 88 TYR H H 8.676 0.01 1 147 88 88 TYR CA C 55.438 0.14 1 148 88 88 TYR N N 118.131 0.14 1 149 89 89 GLY H H 7.649 0.01 1 150 89 89 GLY CA C 43.194 0.14 1 151 89 89 GLY N N 103.862 0.14 1 152 90 90 LEU H H 8.461 0.01 1 153 90 90 LEU CA C 53.434 0.14 1 154 90 90 LEU N N 117.712 0.14 1 155 91 91 LEU H H 9.231 0.01 1 156 91 91 LEU CA C 53.644 0.14 1 157 91 91 LEU N N 121.005 0.14 1 158 92 92 GLY H H 8.539 0.01 1 159 92 92 GLY CA C 46.687 0.14 1 160 92 92 GLY N N 109.411 0.14 1 161 93 93 ALA H H 8.829 0.01 1 162 93 93 ALA CA C 49.771 0.14 1 163 93 93 ALA N N 127.108 0.14 1 164 94 94 GLY H H 8.843 0.01 1 165 94 94 GLY CA C 42.716 0.14 1 166 94 94 GLY N N 107.995 0.14 1 167 95 95 HIS H H 9.041 0.01 1 168 95 95 HIS CA C 54.225 0.14 1 169 95 95 HIS N N 122.206 0.14 1 170 96 96 GLY H H 8.409 0.01 1 171 96 96 GLY CA C 42.981 0.14 1 172 96 96 GLY N N 112.510 0.14 1 173 113 113 THR CA C 61.417 0.14 1 174 114 114 SER H H 9.179 0.01 1 175 114 114 SER CA C 55.963 0.14 1 176 114 114 SER N N 120.075 0.14 1 177 115 115 LEU H H 8.229 0.01 1 178 115 115 LEU CA C 55.567 0.14 1 179 115 115 LEU N N 121.541 0.14 1 180 116 116 ALA H H 8.497 0.01 1 181 116 116 ALA CA C 50.061 0.14 1 182 116 116 ALA N N 128.944 0.14 1 183 117 117 TYR H H 8.289 0.01 1 184 117 117 TYR CA C 54.453 0.14 1 185 117 117 TYR N N 115.939 0.14 1 186 118 118 GLY H H 9.245 0.01 1 187 118 118 GLY CA C 46.130 0.14 1 188 118 118 GLY N N 106.738 0.14 1 189 119 119 ALA H H 8.829 0.01 1 190 119 119 ALA CA C 51.226 0.14 1 191 119 119 ALA N N 119.403 0.14 1 192 120 120 GLY H H 7.909 0.01 1 193 120 120 GLY CA C 45.676 0.14 1 194 120 120 GLY N N 105.764 0.14 1 195 121 121 LEU H H 8.987 0.01 1 196 121 121 LEU CA C 53.017 0.14 1 197 121 121 LEU N N 115.861 0.14 1 198 122 122 GLN H H 8.094 0.01 1 199 122 122 GLN CA C 54.760 0.14 1 200 122 122 GLN N N 112.510 0.14 1 201 123 123 PHE H H 9.960 0.01 1 202 123 123 PHE CA C 53.845 0.14 1 203 123 123 PHE N N 126.346 0.14 1 204 124 124 ASN H H 9.485 0.01 1 205 124 124 ASN CA C 50.860 0.14 1 206 124 124 ASN N N 122.919 0.14 1 207 125 125 PRO CA C 63.480 0.14 1 208 126 126 HIS H H 7.558 0.01 1 209 126 126 HIS CA C 53.938 0.14 1 210 126 126 HIS N N 116.482 0.14 1 211 129 129 PHE CA C 56.281 0.14 1 212 130 130 VAL H H 7.635 0.01 1 213 130 130 VAL CA C 60.128 0.14 1 214 130 130 VAL N N 124.116 0.14 1 215 131 131 ILE H H 8.791 0.01 1 216 131 131 ILE CA C 60.415 0.14 1 217 131 131 ILE N N 124.881 0.14 1 218 132 132 ASP H H 8.930 0.01 1 219 132 132 ASP CA C 53.325 0.14 1 220 132 132 ASP N N 130.640 0.14 1 221 133 133 ALA H H 8.712 0.01 1 222 133 133 ALA CA C 51.223 0.14 1 223 133 133 ALA N N 126.820 0.14 1 224 134 134 SER H H 9.058 0.01 1 225 134 134 SER CA C 58.068 0.14 1 226 134 134 SER N N 113.771 0.14 1 227 135 135 TYR H H 8.867 0.01 1 228 135 135 TYR CA C 56.138 0.14 1 229 135 135 TYR N N 118.690 0.14 1 230 136 136 GLU H H 8.451 0.01 1 231 136 136 GLU CA C 53.919 0.14 1 232 136 136 GLU N N 126.281 0.14 1 233 137 137 TYR H H 9.126 0.01 1 234 137 137 TYR CA C 55.836 0.14 1 235 137 137 TYR N N 123.052 0.14 1 236 138 138 SER H H 7.669 0.01 1 237 138 138 SER CA C 58.261 0.14 1 238 138 138 SER N N 118.553 0.14 1 239 139 139 LYS H H 8.669 0.01 1 240 139 139 LYS CA C 55.095 0.14 1 241 139 139 LYS N N 128.457 0.14 1 242 145 145 VAL H H 8.625 0.01 1 243 145 145 VAL CA C 60.731 0.14 1 244 145 145 VAL N N 123.749 0.14 1 245 146 146 GLY H H 8.430 0.01 1 246 146 146 GLY CA C 44.016 0.14 1 247 146 146 GLY N N 117.342 0.14 1 248 147 147 THR H H 9.024 0.01 1 249 147 147 THR CA C 61.338 0.14 1 250 147 147 THR N N 125.471 0.14 1 251 148 148 TRP H H 8.398 0.01 1 252 148 148 TRP HE1 H 9.788 0.01 1 253 148 148 TRP CA C 53.693 0.14 1 254 148 148 TRP N N 123.598 0.14 1 255 148 148 TRP NE1 N 128.415 0.14 1 256 149 149 MET H H 8.978 0.01 1 257 149 149 MET CA C 54.425 0.14 1 258 149 149 MET N N 117.697 0.14 1 259 150 150 LEU H H 8.536 0.01 1 260 150 150 LEU CA C 54.073 0.14 1 261 150 150 LEU N N 122.685 0.14 1 262 151 151 GLY H H 9.783 0.01 1 263 151 151 GLY CA C 45.992 0.14 1 264 151 151 GLY N N 112.366 0.14 1 265 152 152 ALA H H 8.782 0.01 1 266 152 152 ALA CA C 49.823 0.14 1 267 152 152 ALA N N 119.259 0.14 1 268 153 153 GLY H H 8.558 0.01 1 269 153 153 GLY CA C 46.651 0.14 1 270 153 153 GLY N N 104.366 0.14 1 271 154 154 TYR H H 8.368 0.01 1 272 154 154 TYR CA C 54.965 0.14 1 273 154 154 TYR N N 122.127 0.14 1 274 155 155 ARG H H 7.446 0.01 1 275 155 155 ARG CA C 53.472 0.14 1 276 155 155 ARG N N 130.219 0.14 1 stop_ save_