data_25030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Escherichia coli Outer membrane protein A C-terminal domain ; _BMRB_accession_number 25030 _BMRB_flat_file_name bmr25030.str _Entry_type original _Submission_date 2014-06-19 _Accession_date 2014-06-19 _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 Ishida Hiroaki . . 2 Vogel Hans . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-02 original author . stop_ _Original_release_date 2014-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The periplasmic domain of Escherichia coli outer membrane protein A can undergo a localized temperature dependent structural transition' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25135663 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ishida Hiroaki . . 2 Garcia-Herrero Alicia . . 3 Vogel Hans . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'OMPA C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'OMPA C-terminal domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15712.804 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; APAPAPAPEVQTKHFTLKSD VLFNFNKATLKPEGQAALDQ LYSQLSNLDPKDGSVVVLGY TDRIGSDAYNQGLSERRAQS VVDYLISKGIPADKISARGM GESNPVTGNTCDNVKQRAAL IDCLAPDRRVEIEVKGIKDV VTQPQA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 180 ALA 2 181 PRO 3 182 ALA 4 183 PRO 5 184 ALA 6 185 PRO 7 186 ALA 8 187 PRO 9 188 GLU 10 189 VAL 11 190 GLN 12 191 THR 13 192 LYS 14 193 HIS 15 194 PHE 16 195 THR 17 196 LEU 18 197 LYS 19 198 SER 20 199 ASP 21 200 VAL 22 201 LEU 23 202 PHE 24 203 ASN 25 204 PHE 26 205 ASN 27 206 LYS 28 207 ALA 29 208 THR 30 209 LEU 31 210 LYS 32 211 PRO 33 212 GLU 34 213 GLY 35 214 GLN 36 215 ALA 37 216 ALA 38 217 LEU 39 218 ASP 40 219 GLN 41 220 LEU 42 221 TYR 43 222 SER 44 223 GLN 45 224 LEU 46 225 SER 47 226 ASN 48 227 LEU 49 228 ASP 50 229 PRO 51 230 LYS 52 231 ASP 53 232 GLY 54 233 SER 55 234 VAL 56 235 VAL 57 236 VAL 58 237 LEU 59 238 GLY 60 239 TYR 61 240 THR 62 241 ASP 63 242 ARG 64 243 ILE 65 244 GLY 66 245 SER 67 246 ASP 68 247 ALA 69 248 TYR 70 249 ASN 71 250 GLN 72 251 GLY 73 252 LEU 74 253 SER 75 254 GLU 76 255 ARG 77 256 ARG 78 257 ALA 79 258 GLN 80 259 SER 81 260 VAL 82 261 VAL 83 262 ASP 84 263 TYR 85 264 LEU 86 265 ILE 87 266 SER 88 267 LYS 89 268 GLY 90 269 ILE 91 270 PRO 92 271 ALA 93 272 ASP 94 273 LYS 95 274 ILE 96 275 SER 97 276 ALA 98 277 ARG 99 278 GLY 100 279 MET 101 280 GLY 102 281 GLU 103 282 SER 104 283 ASN 105 284 PRO 106 285 VAL 107 286 THR 108 287 GLY 109 288 ASN 110 289 THR 111 290 CYS 112 291 ASP 113 292 ASN 114 293 VAL 115 294 LYS 116 295 GLN 117 296 ARG 118 297 ALA 119 298 ALA 120 299 LEU 121 300 ILE 122 301 ASP 123 302 CYS 124 303 LEU 125 304 ALA 126 305 PRO 127 306 ASP 128 307 ARG 129 308 ARG 130 309 VAL 131 310 GLU 132 311 ILE 133 312 GLU 134 313 VAL 135 314 LYS 136 315 GLY 137 316 ILE 138 317 LYS 139 318 ASP 140 319 VAL 141 320 VAL 142 321 THR 143 322 GLN 144 323 PRO 145 324 GLN 146 325 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 PDB 2MQE "Solution Structure Of Escherichia Coli Outer Membrane Protein A C- Terminal Domain" 100.00 146 100.00 100.00 8.68e-101 PDB 3NB3 "The Host Outer Membrane Proteins Ompa And Ompc Are Packed At Specific Sites In The Shigella Phage Sf6 Virion As Structural Comp" 100.00 346 100.00 100.00 9.23e-99 DBJ BAA35715 "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K12 substr. W3110]" 100.00 346 100.00 100.00 1.01e-98 DBJ BAB34464 "outer membrane protein 3a [Escherichia coli O157:H7 str. Sakai]" 100.00 346 100.00 100.00 1.01e-98 DBJ BAG76542 "outer membrane protein OmpA [Escherichia coli SE11]" 100.00 346 100.00 100.00 1.01e-98 DBJ BAI24400 "outer membrane protein A [Escherichia coli O26:H11 str. 11368]" 100.00 346 100.00 100.00 1.01e-98 DBJ BAI29850 "outer membrane protein A [Escherichia coli O103:H2 str. 12009]" 100.00 346 100.00 100.00 1.01e-98 EMBL CAA23588 "ompA protein [Escherichia coli]" 100.00 346 100.00 100.00 1.01e-98 EMBL CAA24638 "unnamed protein product [Shigella dysenteriae]" 100.00 351 100.00 100.00 8.68e-99 EMBL CAP75420 "Outer membrane protein A [Escherichia coli LF82]" 100.00 346 98.63 98.63 6.18e-97 EMBL CAQ31485 "outer membrane protein 3a (II*;G;d) [Escherichia coli BL21(DE3)]" 100.00 346 100.00 100.00 1.01e-98 EMBL CAQ88623 "outer membrane protein A (3a;II*;G;d) [Escherichia fergusonii ATCC 35469]" 100.00 375 100.00 100.00 1.19e-98 GB AAA24232 "outer membrane protein II, partial [Escherichia fergusonii]" 93.84 243 100.00 100.00 5.88e-93 GB AAA24236 "outer membrane protein II, partial [Escherichia fergusonii]" 93.84 243 100.00 100.00 4.53e-93 GB AAA24240 "outer membrane protein II, partial [Escherichia fergusonii]" 93.84 243 100.00 100.00 4.53e-93 GB AAC74043 "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" 100.00 346 100.00 100.00 1.01e-98 GB AAF37887 "outer membrane protein A [Escherichia coli RS218]" 100.00 346 98.63 98.63 6.05e-97 REF NP_309068 "outer membrane protein A [Escherichia coli O157:H7 str. Sakai]" 100.00 346 100.00 100.00 1.01e-98 REF NP_415477 "outer membrane protein A (3a;II*;G;d) [Escherichia coli str. K-12 substr. MG1655]" 100.00 346 100.00 100.00 1.01e-98 REF NP_706879 "outer membrane protein OmpA [Shigella flexneri 2a str. 301]" 98.63 348 100.00 100.00 7.02e-97 REF WP_000315441 "membrane protein, partial [Shigella boydii]" 100.00 348 99.32 100.00 4.85e-98 REF WP_000315442 "membrane protein, partial [Escherichia coli]" 100.00 343 100.00 100.00 9.78e-99 SP B7LNW7 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" 100.00 351 100.00 100.00 9.36e-99 SP P02935 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" 100.00 351 100.00 100.00 8.68e-99 SP P0A910 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" 100.00 346 100.00 100.00 1.01e-98 SP P0A911 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II*; Flags: Precursor" 100.00 346 100.00 100.00 1.01e-98 SP P0C8Z2 "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II" 93.84 243 100.00 100.00 4.53e-93 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 $entity 'E. coli' 562 Bacteria . Escherichia coli K12 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 'recombinant technology' . Escherichia coli BL21 pE-SUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.20 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6 . pH pressure 1 . atm 'ionic strength' 0 . M 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 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'OMPA C-terminal 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 1 189 10 VAL H H 8.262 . . 2 189 10 VAL N N 121.331 . . 3 190 11 GLN H H 8.794 . . 4 190 11 GLN N N 124.616 . . 5 191 12 THR H H 8.325 . . 6 191 12 THR N N 116.998 . . 7 192 13 LYS H H 9.005 . . 8 192 13 LYS N N 124.172 . . 9 193 14 HIS H H 8.314 . . 10 193 14 HIS N N 120.545 . . 11 194 15 PHE H H 9.093 . . 12 194 15 PHE N N 122.258 . . 13 195 16 THR H H 8.943 . . 14 195 16 THR N N 118.977 . . 15 196 17 LEU H H 9.382 . . 16 196 17 LEU N N 127.633 . . 17 197 18 LYS H H 8.893 . . 18 197 18 LYS N N 122.163 . . 19 198 19 SER H H 8.641 . . 20 198 19 SER N N 123.132 . . 21 199 20 ASP H H 9.135 . . 22 199 20 ASP N N 118.369 . . 23 200 21 VAL H H 6.855 . . 24 200 21 VAL N N 116.774 . . 25 201 22 LEU H H 6.924 . . 26 201 22 LEU N N 115.293 . . 27 202 23 PHE H H 7.778 . . 28 202 23 PHE N N 111.272 . . 29 203 24 ASN H H 8.508 . . 30 203 24 ASN N N 119.638 . . 31 204 25 PHE H H 7.482 . . 32 204 25 PHE N N 120.488 . . 33 205 26 ASN H H 8.622 . . 34 205 26 ASN N N 114.473 . . 35 208 29 THR H H 7.197 . . 36 208 29 THR N N 109.984 . . 37 209 30 LEU H H 8.874 . . 38 209 30 LEU N N 124.628 . . 39 210 31 LYS H H 8.481 . . 40 210 31 LYS N N 123.663 . . 41 212 33 GLU H H 10.086 . . 42 212 33 GLU N N 118.009 . . 43 213 34 GLY H H 7.619 . . 44 213 34 GLY N N 110.379 . . 45 214 35 GLN H H 7.815 . . 46 214 35 GLN N N 121.362 . . 47 215 36 ALA H H 7.831 . . 48 215 36 ALA N N 118.897 . . 49 216 37 ALA H H 7.528 . . 50 216 37 ALA N N 120.925 . . 51 217 38 LEU H H 7.930 . . 52 217 38 LEU N N 119.535 . . 53 218 39 ASP H H 9.000 . . 54 218 39 ASP N N 123.523 . . 55 219 40 GLN H H 7.715 . . 56 219 40 GLN N N 119.786 . . 57 220 41 LEU H H 7.750 . . 58 220 41 LEU N N 121.571 . . 59 221 42 TYR H H 8.841 . . 60 221 42 TYR N N 119.360 . . 61 222 43 SER H H 7.811 . . 62 222 43 SER N N 113.313 . . 63 223 44 GLN H H 7.670 . . 64 223 44 GLN N N 118.639 . . 65 224 45 LEU H H 7.578 . . 66 224 45 LEU N N 117.925 . . 67 225 46 SER H H 7.193 . . 68 225 46 SER N N 112.354 . . 69 226 47 ASN H H 8.240 . . 70 226 47 ASN N N 119.790 . . 71 227 48 LEU H H 7.523 . . 72 227 48 LEU N N 121.369 . . 73 228 49 ASP H H 8.908 . . 74 228 49 ASP N N 127.654 . . 75 230 51 LYS H H 8.212 . . 76 230 51 LYS N N 118.263 . . 77 231 52 ASP H H 8.521 . . 78 231 52 ASP N N 117.200 . . 79 232 53 GLY H H 8.007 . . 80 232 53 GLY N N 109.151 . . 81 233 54 SER H H 8.668 . . 82 233 54 SER N N 116.106 . . 83 234 55 VAL H H 9.039 . . 84 234 55 VAL N N 121.897 . . 85 235 56 VAL H H 9.227 . . 86 235 56 VAL N N 129.796 . . 87 236 57 VAL H H 8.820 . . 88 236 57 VAL N N 127.617 . . 89 237 58 LEU H H 9.732 . . 90 237 58 LEU N N 127.719 . . 91 238 59 GLY H H 8.608 . . 92 238 59 GLY N N 108.192 . . 93 239 60 TYR H H 8.546 . . 94 239 60 TYR N N 122.266 . . 95 240 61 THR H H 8.735 . . 96 240 61 THR N N 112.806 . . 97 241 62 ASP H H 7.098 . . 98 241 62 ASP N N 114.484 . . 99 244 65 GLY H H 8.556 . . 100 244 65 GLY N N 114.651 . . 101 245 66 SER H H 8.386 . . 102 245 66 SER N N 115.483 . . 103 246 67 ASP H H 8.843 . . 104 246 67 ASP N N 125.775 . . 105 247 68 ALA H H 8.493 . . 106 247 68 ALA N N 122.858 . . 107 248 69 TYR H H 7.837 . . 108 248 69 TYR N N 120.739 . . 109 249 70 ASN H H 8.653 . . 110 249 70 ASN N N 119.607 . . 111 250 71 GLN H H 8.697 . . 112 250 71 GLN N N 122.604 . . 113 251 72 GLY H H 7.806 . . 114 251 72 GLY N N 108.054 . . 115 252 73 LEU H H 8.289 . . 116 252 73 LEU N N 122.869 . . 117 253 74 SER H H 8.476 . . 118 253 74 SER N N 114.363 . . 119 254 75 GLU H H 7.619 . . 120 254 75 GLU N N 125.148 . . 121 255 76 ARG H H 8.113 . . 122 255 76 ARG N N 118.707 . . 123 256 77 ARG H H 8.521 . . 124 256 77 ARG N N 119.645 . . 125 257 78 ALA H H 7.900 . . 126 257 78 ALA N N 121.005 . . 127 258 79 GLN H H 8.503 . . 128 258 79 GLN N N 117.150 . . 129 259 80 SER H H 8.365 . . 130 259 80 SER N N 116.383 . . 131 260 81 VAL H H 7.644 . . 132 260 81 VAL N N 121.286 . . 133 261 82 VAL H H 8.116 . . 134 261 82 VAL N N 120.921 . . 135 262 83 ASP H H 9.281 . . 136 262 83 ASP N N 119.045 . . 137 263 84 TYR H H 7.997 . . 138 263 84 TYR N N 121.715 . . 139 264 85 LEU H H 8.541 . . 140 264 85 LEU N N 120.621 . . 141 265 86 ILE H H 9.108 . . 142 265 86 ILE N N 122.604 . . 143 266 87 SER H H 7.845 . . 144 266 87 SER N N 118.909 . . 145 267 88 LYS H H 7.156 . . 146 267 88 LYS N N 119.433 . . 147 268 89 GLY H H 7.367 . . 148 268 89 GLY N N 102.890 . . 149 269 90 ILE H H 8.056 . . 150 269 90 ILE N N 125.099 . . 151 271 92 ALA H H 8.715 . . 152 271 92 ALA N N 125.137 . . 153 272 93 ASP H H 8.482 . . 154 272 93 ASP N N 110.817 . . 155 273 94 LYS H H 7.887 . . 156 273 94 LYS N N 117.412 . . 157 274 95 ILE H H 7.339 . . 158 274 95 ILE N N 116.649 . . 159 275 96 SER H H 7.936 . . 160 275 96 SER N N 118.157 . . 161 276 97 ALA H H 8.679 . . 162 276 97 ALA N N 123.086 . . 163 277 98 ARG H H 9.013 . . 164 277 98 ARG N N 119.691 . . 165 278 99 GLY H H 9.350 . . 166 278 99 GLY N N 112.485 . . 167 279 100 MET H H 8.917 . . 168 279 100 MET N N 123.602 . . 169 280 101 GLY H H 8.711 . . 170 280 101 GLY N N 110.641 . . 171 281 102 GLU H H 8.661 . . 172 281 102 GLU N N 122.478 . . 173 282 103 SER H H 7.902 . . 174 282 103 SER N N 117.410 . . 175 283 104 ASN H H 8.998 . . 176 283 104 ASN N N 114.298 . . 177 285 106 VAL H H 8.518 . . 178 285 106 VAL N N 124.829 . . 179 286 107 THR H H 10.189 . . 180 286 107 THR N N 113.159 . . 181 287 108 GLY H H 7.312 . . 182 287 108 GLY N N 110.132 . . 183 288 109 ASN H H 9.098 . . 184 288 109 ASN N N 126.937 . . 185 289 110 THR H H 8.611 . . 186 289 110 THR N N 115.267 . . 187 290 111 CYS H H 8.551 . . 188 290 111 CYS N N 117.405 . . 189 291 112 ASP H H 8.687 . . 190 291 112 ASP N N 122.053 . . 191 292 113 ASN H H 8.755 . . 192 292 113 ASN N N 121.647 . . 193 293 114 VAL H H 7.398 . . 194 293 114 VAL N N 122.778 . . 195 294 115 LYS H H 8.385 . . 196 294 115 LYS N N 125.245 . . 197 295 116 GLN H H 7.778 . . 198 295 116 GLN N N 120.298 . . 199 296 117 ARG H H 8.793 . . 200 296 117 ARG N N 126.561 . . 201 297 118 ALA H H 8.687 . . 202 297 118 ALA N N 119.550 . . 203 298 119 ALA H H 7.075 . . 204 298 119 ALA N N 119.106 . . 205 299 120 LEU H H 8.705 . . 206 299 120 LEU N N 124.787 . . 207 300 121 ILE H H 8.318 . . 208 300 121 ILE N N 119.258 . . 209 301 122 ASP H H 7.489 . . 210 301 122 ASP N N 119.186 . . 211 302 123 CYS H H 8.463 . . 212 302 123 CYS N N 122.732 . . 213 303 124 LEU H H 8.087 . . 214 303 124 LEU N N 114.848 . . 215 304 125 ALA H H 7.335 . . 216 304 125 ALA N N 122.942 . . 217 306 127 ASP H H 8.061 . . 218 306 127 ASP N N 112.399 . . 219 307 128 ARG H H 7.577 . . 220 307 128 ARG N N 117.200 . . 221 308 129 ARG H H 7.753 . . 222 308 129 ARG N N 124.332 . . 223 309 130 VAL H H 9.020 . . 224 309 130 VAL N N 118.897 . . 225 310 131 GLU H H 9.652 . . 226 310 131 GLU N N 125.678 . . 227 311 132 ILE H H 9.405 . . 228 311 132 ILE N N 122.760 . . 229 312 133 GLU H H 9.367 . . 230 312 133 GLU N N 127.936 . . 231 313 134 VAL H H 9.181 . . 232 313 134 VAL N N 126.568 . . 233 314 135 LYS H H 9.095 . . 234 314 135 LYS N N 128.273 . . 235 315 136 GLY H H 8.446 . . 236 315 136 GLY N N 108.188 . . 237 316 137 ILE H H 7.953 . . 238 316 137 ILE N N 119.528 . . 239 317 138 LYS H H 8.210 . . 240 317 138 LYS N N 127.180 . . 241 318 139 ASP H H 8.422 . . 242 318 139 ASP N N 122.691 . . 243 319 140 VAL H H 8.223 . . 244 319 140 VAL N N 120.583 . . 245 320 141 VAL H H 8.361 . . 246 320 141 VAL N N 124.833 . . 247 321 142 THR H H 8.351 . . 248 321 142 THR N N 119.444 . . 249 322 143 GLN H H 8.458 . . 250 322 143 GLN N N 124.373 . . 251 324 145 GLN H H 8.539 . . 252 324 145 GLN N N 121.431 . . 253 325 146 ALA H H 8.075 . . 254 325 146 ALA N N 131.669 . . stop_ save_