data_12011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for FliGc A282T mutated protein ; _BMRB_accession_number 12011 _BMRB_flat_file_name bmr12011.str _Entry_type original _Submission_date 2017-04-19 _Accession_date 2017-04-30 _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 Miyanoiri Yohei . . 2 Hijikata Atsushi . . 3 Nishino Yuuki . . 4 Gohara Mizuki . . 5 Onoue Yasuhiro . . 6 Kojima Seiji . . 7 Kojima Chojiro . . 8 Shirai Tsuyoshi . . 9 Kainosho Masatsune . . 10 Homma Michio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "13C chemical shifts" 266 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 12010 'Backbone 1H, 13C, 15N chemical shift assignments for FliGc protein' stop_ _Original_release_date 2017-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Analysis of the C-Terminal Region of FliG, an Essential Motor Component of Vibrio Na+ -Driven Flagella. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28919442 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miyanoiri Yohei . . 2 Hijikata Atsushi . . 3 Nishino Yuuki . . 4 Gohara Mizuki . . 5 Onoue Yasuhiro . . 6 Kojima Seiji . . 7 Kojima Chojiro . . 8 Shirai Tsuyoshi . . 9 Kainosho Masatsune . . 10 Homma Michio . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 25 _Journal_issue 10 _Journal_ISSN 0969-2126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1540 _Page_last 1548 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'flagellar protein FliGc A282T' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'flagellar protein FliGc A282T' $flagellar_protein_FliGc_A282T 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_flagellar_protein_FliGc_A282T _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common flagellar_protein_FliGc_A282T _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; MNHKVHHHHHHIEGRHMMFV FENLVEVDDQGIQKLLRDVP QDVLQKTLKGADDSLREKVF KNMSKRAAEMMRDDIEAMPP VRVADVEAAQKEILAIARRM ADAGELMLSGGADEFL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . ASN 3 . HIS 4 . LYS 5 . VAL 6 . HIS 7 . HIS 8 . HIS 9 . HIS 10 . HIS 11 . HIS 12 . ILE 13 . GLU 14 . GLY 15 . ARG 16 . HIS 17 . MET 18 253 MET 19 254 PHE 20 255 VAL 21 256 PHE 22 257 GLU 23 258 ASN 24 259 LEU 25 260 VAL 26 261 GLU 27 262 VAL 28 263 ASP 29 264 ASP 30 265 GLN 31 266 GLY 32 267 ILE 33 268 GLN 34 269 LYS 35 270 LEU 36 271 LEU 37 272 ARG 38 273 ASP 39 274 VAL 40 275 PRO 41 276 GLN 42 277 ASP 43 278 VAL 44 279 LEU 45 280 GLN 46 281 LYS 47 282 THR 48 283 LEU 49 284 LYS 50 285 GLY 51 286 ALA 52 287 ASP 53 288 ASP 54 289 SER 55 290 LEU 56 291 ARG 57 292 GLU 58 293 LYS 59 294 VAL 60 295 PHE 61 296 LYS 62 297 ASN 63 298 MET 64 299 SER 65 300 LYS 66 301 ARG 67 302 ALA 68 303 ALA 69 304 GLU 70 305 MET 71 306 MET 72 307 ARG 73 308 ASP 74 309 ASP 75 310 ILE 76 311 GLU 77 312 ALA 78 313 MET 79 314 PRO 80 315 PRO 81 316 VAL 82 317 ARG 83 318 VAL 84 319 ALA 85 320 ASP 86 321 VAL 87 322 GLU 88 323 ALA 89 324 ALA 90 325 GLN 91 326 LYS 92 327 GLU 93 328 ILE 94 329 LEU 95 330 ALA 96 331 ILE 97 332 ALA 98 333 ARG 99 334 ARG 100 335 MET 101 336 ALA 102 337 ASP 103 338 ALA 104 339 GLY 105 340 GLU 106 341 LEU 107 342 MET 108 343 LEU 109 344 SER 110 345 GLY 111 346 GLY 112 347 ALA 113 348 ASP 114 349 GLU 115 350 PHE 116 351 LEU 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 $flagellar_protein_FliGc_A282T 'Vibrio alginolyticus' 663 Bacteria . Vibrio alginolyticus 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 $flagellar_protein_FliGc_A282T 'recombinant technology' . Escherichia coli . 'pCold I' 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 $flagellar_protein_FliGc_A282T 0.9 mM [U-15N] Tris-HCl 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DSS 0.01 '% w/v' 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $flagellar_protein_FliGc_A282T 0.9 mM '[U-13C; U-15N]' Tris-HCl 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DSS 0.01 '% w/v' 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version talos-n loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 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' 0.15 . M pH 7.0 . pH pressure 1 . atm temperature 288 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $TOPSPIN $SPARKY $TALOS stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '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 'flagellar protein FliGc A282T' _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 1 260 25 VAL C C 175.557 0.000 1 2 260 25 VAL CA C 64.179 0.051 1 3 261 26 GLU H H 7.593 0.012 1 4 261 26 GLU C C 177.101 0.017 1 5 261 26 GLU CA C 56.089 0.026 1 6 261 26 GLU CB C 30.131 0.020 1 7 261 26 GLU N N 117.932 0.062 1 8 262 27 VAL H H 7.332 0.005 1 9 262 27 VAL C C 174.749 0.014 1 10 262 27 VAL CA C 62.823 0.075 1 11 262 27 VAL CB C 31.833 0.040 1 12 262 27 VAL N N 121.825 0.073 1 13 263 28 ASP H H 8.425 0.002 1 14 263 28 ASP C C 176.152 0.026 1 15 263 28 ASP CA C 54.324 0.087 1 16 263 28 ASP CB C 41.357 0.012 1 17 263 28 ASP N N 124.494 0.058 1 18 264 29 ASP H H 8.590 0.001 1 19 264 29 ASP C C 177.755 0.000 1 20 264 29 ASP CA C 58.552 0.039 1 21 264 29 ASP CB C 40.826 0.003 1 22 264 29 ASP N N 121.869 0.040 1 23 265 30 GLN H H 8.527 0.003 1 24 265 30 GLN C C 178.866 0.013 1 25 265 30 GLN CA C 59.411 0.037 1 26 265 30 GLN CB C 28.037 0.015 1 27 265 30 GLN N N 117.596 0.046 1 28 266 31 GLY H H 8.125 0.004 1 29 266 31 GLY C C 175.471 0.003 1 30 266 31 GLY CA C 47.476 0.013 1 31 266 31 GLY N N 110.083 0.040 1 32 267 32 ILE H H 8.175 0.003 1 33 267 32 ILE C C 177.819 0.010 1 34 267 32 ILE CA C 62.329 0.016 1 35 267 32 ILE CB C 34.988 0.051 1 36 267 32 ILE N N 121.803 0.029 1 37 268 33 GLN H H 8.390 0.004 1 38 268 33 GLN C C 179.018 0.012 1 39 268 33 GLN CA C 60.083 0.049 1 40 268 33 GLN CB C 27.768 0.026 1 41 268 33 GLN N N 118.245 0.045 1 42 269 34 LYS H H 7.608 0.001 1 43 269 34 LYS C C 178.733 0.002 1 44 269 34 LYS CA C 59.755 0.041 1 45 269 34 LYS CB C 32.249 0.030 1 46 269 34 LYS N N 118.687 0.031 1 47 270 35 LEU H H 8.256 0.002 1 48 270 35 LEU C C 178.488 0.031 1 49 270 35 LEU CA C 58.515 0.033 1 50 270 35 LEU CB C 42.242 0.012 1 51 270 35 LEU N N 121.689 0.046 1 52 271 36 LEU H H 8.474 0.003 1 53 271 36 LEU C C 178.932 0.012 1 54 271 36 LEU CA C 57.123 0.020 1 55 271 36 LEU CB C 41.468 0.021 1 56 271 36 LEU N N 114.187 0.063 1 57 272 37 ARG H H 7.316 0.002 1 58 272 37 ARG C C 177.532 0.017 1 59 272 37 ARG CA C 58.830 0.014 1 60 272 37 ARG CB C 30.398 0.040 1 61 272 37 ARG N N 116.844 0.083 1 62 273 38 ASP H H 7.516 0.002 1 63 273 38 ASP C C 176.082 0.013 1 64 273 38 ASP CA C 54.457 0.042 1 65 273 38 ASP CB C 42.645 0.059 1 66 273 38 ASP N N 116.624 0.083 1 67 274 39 VAL H H 7.455 0.002 1 68 274 39 VAL C C 173.683 0.000 1 69 274 39 VAL CA C 60.025 0.048 1 70 274 39 VAL CB C 33.228 0.000 1 71 274 39 VAL N N 120.692 0.045 1 72 275 40 PRO C C 177.909 0.021 1 73 275 40 PRO CA C 63.005 0.029 1 74 275 40 PRO CB C 32.701 0.038 1 75 276 41 GLN H H 9.106 0.002 1 76 276 41 GLN C C 177.383 0.012 1 77 276 41 GLN CA C 60.068 0.036 1 78 276 41 GLN CB C 28.851 0.012 1 79 276 41 GLN N N 124.602 0.017 1 80 277 42 ASP H H 8.952 0.001 1 81 277 42 ASP C C 178.005 0.007 1 82 277 42 ASP CA C 56.916 0.026 1 83 277 42 ASP CB C 39.781 0.022 1 84 277 42 ASP N N 116.687 0.043 1 85 278 43 VAL H H 6.957 0.002 1 86 278 43 VAL C C 178.192 0.049 1 87 278 43 VAL CA C 65.654 0.030 1 88 278 43 VAL CB C 32.208 0.023 1 89 278 43 VAL N N 120.743 0.029 1 90 279 44 LEU H H 7.858 0.003 1 91 279 44 LEU C C 179.422 0.044 1 92 279 44 LEU CA C 58.111 0.045 1 93 279 44 LEU CB C 41.897 0.022 1 94 279 44 LEU N N 120.054 0.054 1 95 280 45 GLN H H 8.731 0.002 1 96 280 45 GLN C C 177.693 0.009 1 97 280 45 GLN CA C 60.447 0.026 1 98 280 45 GLN CB C 28.379 0.059 1 99 280 45 GLN N N 117.862 0.080 1 100 281 46 LYS H H 7.586 0.002 1 101 281 46 LYS C C 177.648 0.020 1 102 281 46 LYS CA C 60.429 0.022 1 103 281 46 LYS CB C 33.552 0.012 1 104 281 46 LYS N N 115.176 0.046 1 105 282 47 THR H H 7.533 0.002 1 106 282 47 THR C C 176.288 0.000 1 107 282 47 THR CA C 65.453 0.046 1 108 282 47 THR CB C 68.566 0.050 1 109 282 47 THR N N 108.579 0.103 1 110 283 48 LEU H H 7.897 0.002 1 111 283 48 LEU C C 179.378 0.030 1 112 283 48 LEU CA C 56.182 0.090 1 113 283 48 LEU CB C 42.796 0.045 1 114 283 48 LEU N N 118.711 0.051 1 115 284 49 LYS H H 7.923 0.003 1 116 284 49 LYS C C 177.191 0.007 1 117 284 49 LYS CA C 58.702 0.031 1 118 284 49 LYS CB C 31.543 0.000 1 119 284 49 LYS N N 122.178 0.079 1 120 285 50 GLY H H 8.225 0.003 1 121 285 50 GLY C C 173.755 0.035 1 122 285 50 GLY CA C 44.723 0.034 1 123 285 50 GLY N N 105.017 0.044 1 124 286 51 ALA H H 7.058 0.001 1 125 286 51 ALA C C 176.414 0.002 1 126 286 51 ALA CA C 51.306 0.015 1 127 286 51 ALA CB C 21.315 0.007 1 128 286 51 ALA N N 122.723 0.069 1 129 287 52 ASP H H 8.651 0.001 1 130 287 52 ASP C C 176.448 0.007 1 131 287 52 ASP CA C 53.561 0.021 1 132 287 52 ASP CB C 42.126 0.022 1 133 287 52 ASP N N 119.182 0.029 1 134 288 53 ASP H H 8.707 0.002 1 135 288 53 ASP C C 178.044 0.019 1 136 288 53 ASP CA C 58.100 0.060 1 137 288 53 ASP CB C 40.971 0.056 1 138 288 53 ASP N N 120.519 0.033 1 139 289 54 SER H H 8.451 0.004 1 140 289 54 SER C C 176.963 0.040 1 141 289 54 SER CA C 61.881 0.215 1 142 289 54 SER N N 114.620 0.057 1 143 290 55 LEU H H 7.667 0.005 1 144 290 55 LEU C C 178.184 0.021 1 145 290 55 LEU CA C 57.799 0.099 1 146 290 55 LEU CB C 40.969 0.036 1 147 290 55 LEU N N 124.812 0.052 1 148 291 56 ARG H H 7.899 0.003 1 149 291 56 ARG C C 176.976 0.009 1 150 291 56 ARG CA C 60.606 0.030 1 151 291 56 ARG CB C 30.205 0.027 1 152 291 56 ARG N N 116.606 0.056 1 153 292 57 GLU H H 8.412 0.006 1 154 292 57 GLU C C 178.802 0.032 1 155 292 57 GLU CA C 59.089 0.011 1 156 292 57 GLU CB C 28.882 0.031 1 157 292 57 GLU N N 114.602 0.053 1 158 293 58 LYS H H 7.383 0.003 1 159 293 58 LYS C C 177.384 0.024 1 160 293 58 LYS CA C 58.312 0.042 1 161 293 58 LYS CB C 32.557 0.068 1 162 293 58 LYS N N 119.862 0.042 1 163 294 59 VAL H H 7.617 0.002 1 164 294 59 VAL C C 178.229 0.059 1 165 294 59 VAL CA C 66.987 0.057 1 166 294 59 VAL CB C 31.115 0.076 1 167 294 59 VAL N N 118.121 0.045 1 168 295 60 PHE H H 8.799 0.002 1 169 295 60 PHE C C 179.040 0.008 1 170 295 60 PHE CA C 58.901 0.025 1 171 295 60 PHE CB C 37.849 0.070 1 172 295 60 PHE N N 117.423 0.067 1 173 296 61 LYS H H 8.116 0.004 1 174 296 61 LYS C C 176.482 0.005 1 175 296 61 LYS CA C 58.196 0.047 1 176 296 61 LYS CB C 31.532 0.029 1 177 296 61 LYS N N 115.976 0.044 1 178 297 62 ASN H H 7.558 0.003 1 179 297 62 ASN C C 172.627 0.017 1 180 297 62 ASN CA C 54.423 0.063 1 181 297 62 ASN CB C 41.163 0.049 1 182 297 62 ASN N N 117.794 0.063 1 183 298 63 MET H H 7.367 0.002 1 184 298 63 MET C C 175.281 0.026 1 185 298 63 MET CA C 54.762 0.077 1 186 298 63 MET CB C 37.236 0.073 1 187 298 63 MET N N 117.820 0.046 1 188 299 64 SER H H 8.738 0.004 1 189 299 64 SER C C 174.456 0.038 1 190 299 64 SER CA C 58.436 0.042 1 191 299 64 SER CB C 63.878 0.031 1 192 299 64 SER N N 116.977 0.051 1 193 300 65 LYS H H 8.742 0.002 1 194 300 65 LYS C C 179.291 0.023 1 195 300 65 LYS CA C 60.236 0.034 1 196 300 65 LYS CB C 32.405 0.031 1 197 300 65 LYS N N 123.487 0.049 1 198 301 66 ARG H H 8.604 0.002 1 199 301 66 ARG C C 178.340 0.007 1 200 301 66 ARG CA C 58.384 0.017 1 201 301 66 ARG CB C 29.716 0.032 1 202 301 66 ARG N N 117.395 0.048 1 203 302 67 ALA H H 7.699 0.002 1 204 302 67 ALA C C 180.947 0.008 1 205 302 67 ALA CA C 54.974 0.037 1 206 302 67 ALA CB C 18.438 0.018 1 207 302 67 ALA N N 121.739 0.049 1 208 303 68 ALA H H 8.789 0.003 1 209 303 68 ALA C C 179.108 0.008 1 210 303 68 ALA CA C 55.395 0.026 1 211 303 68 ALA CB C 18.672 0.009 1 212 303 68 ALA N N 122.011 0.032 1 213 304 69 GLU H H 7.989 0.002 1 214 304 69 GLU C C 178.981 0.046 1 215 304 69 GLU CA C 59.494 0.043 1 216 304 69 GLU CB C 29.418 0.034 1 217 304 69 GLU N N 118.176 0.042 1 218 305 70 MET H H 7.867 0.002 1 219 305 70 MET C C 178.024 0.001 1 220 305 70 MET CA C 58.821 0.025 1 221 305 70 MET CB C 33.187 0.035 1 222 305 70 MET N N 117.120 0.077 1 223 306 71 MET H H 8.191 0.002 1 224 306 71 MET C C 178.008 0.015 1 225 306 71 MET CA C 58.539 0.044 1 226 306 71 MET CB C 31.645 0.032 1 227 306 71 MET N N 118.893 0.061 1 228 307 72 ARG H H 8.461 0.002 1 229 307 72 ARG C C 179.221 0.022 1 230 307 72 ARG CA C 60.577 0.032 1 231 307 72 ARG CB C 29.760 0.061 1 232 307 72 ARG N N 119.691 0.068 1 233 308 73 ASP H H 7.591 0.004 1 234 308 73 ASP C C 179.124 0.022 1 235 308 73 ASP CA C 57.338 0.034 1 236 308 73 ASP CB C 39.880 0.080 1 237 308 73 ASP N N 119.449 0.054 1 238 309 74 ASP H H 8.541 0.001 1 239 309 74 ASP C C 179.975 0.033 1 240 309 74 ASP CA C 57.664 0.090 1 241 309 74 ASP CB C 40.074 0.086 1 242 309 74 ASP N N 122.705 0.052 1 243 310 75 ILE H H 8.783 0.003 1 244 310 75 ILE C C 178.344 0.039 1 245 310 75 ILE CA C 64.987 0.030 1 246 310 75 ILE CB C 37.978 0.069 1 247 310 75 ILE N N 119.157 0.048 1 248 311 76 GLU H H 7.851 0.003 1 249 311 76 GLU C C 177.494 0.009 1 250 311 76 GLU CA C 58.796 0.045 1 251 311 76 GLU CB C 29.216 0.042 1 252 311 76 GLU N N 120.564 0.056 1 253 312 77 ALA H H 7.378 0.002 1 254 312 77 ALA C C 178.010 0.009 1 255 312 77 ALA CA C 52.661 0.067 1 256 312 77 ALA CB C 19.510 0.039 1 257 312 77 ALA N N 117.939 0.072 1 258 313 78 MET H H 7.415 0.003 1 259 313 78 MET C C 173.633 0.000 1 260 313 78 MET CA C 54.938 0.013 1 261 313 78 MET CB C 33.403 0.000 1 262 313 78 MET N N 120.538 0.034 1 263 315 80 PRO C C 176.162 0.015 1 264 315 80 PRO CA C 63.645 0.064 1 265 315 80 PRO CB C 31.929 0.001 1 266 316 81 VAL H H 8.281 0.002 1 267 316 81 VAL C C 176.407 0.033 1 268 316 81 VAL CA C 60.385 0.011 1 269 316 81 VAL CB C 33.421 0.049 1 270 316 81 VAL N N 122.504 0.072 1 271 317 82 ARG H H 9.121 0.002 1 272 317 82 ARG C C 178.465 0.016 1 273 317 82 ARG CA C 56.513 0.044 1 274 317 82 ARG CB C 30.475 0.066 1 275 317 82 ARG N N 127.219 0.032 1 276 318 83 VAL H H 8.755 0.002 1 277 318 83 VAL C C 178.035 0.012 1 278 318 83 VAL CA C 67.192 0.081 1 279 318 83 VAL CB C 31.490 0.065 1 280 318 83 VAL N N 124.769 0.050 1 281 319 84 ALA H H 8.763 0.004 1 282 319 84 ALA C C 180.820 0.017 1 283 319 84 ALA CA C 55.080 0.028 1 284 319 84 ALA CB C 18.430 0.015 1 285 319 84 ALA N N 120.139 0.073 1 286 320 85 ASP H H 7.258 0.003 1 287 320 85 ASP C C 179.203 0.005 1 288 320 85 ASP CA C 56.567 0.014 1 289 320 85 ASP CB C 40.638 0.023 1 290 320 85 ASP N N 117.154 0.048 1 291 321 86 VAL H H 7.953 0.003 1 292 321 86 VAL C C 177.987 0.019 1 293 321 86 VAL CA C 67.353 0.036 1 294 321 86 VAL CB C 31.565 0.006 1 295 321 86 VAL N N 124.057 0.078 1 296 322 87 GLU H H 8.446 0.002 1 297 322 87 GLU C C 179.211 0.018 1 298 322 87 GLU CA C 59.675 0.018 1 299 322 87 GLU CB C 29.263 0.037 1 300 322 87 GLU N N 119.331 0.034 1 301 323 88 ALA H H 7.692 0.002 1 302 323 88 ALA C C 180.299 0.024 1 303 323 88 ALA CA C 55.156 0.033 1 304 323 88 ALA CB C 18.162 0.005 1 305 323 88 ALA N N 120.088 0.063 1 306 324 89 ALA H H 7.691 0.002 1 307 324 89 ALA C C 179.053 0.003 1 308 324 89 ALA CA C 55.197 0.061 1 309 324 89 ALA CB C 19.044 0.007 1 310 324 89 ALA N N 123.060 0.046 1 311 325 90 GLN H H 8.512 0.002 1 312 325 90 GLN C C 178.812 0.029 1 313 325 90 GLN CA C 59.220 0.046 1 314 325 90 GLN CB C 28.041 0.028 1 315 325 90 GLN N N 117.243 0.058 1 316 326 91 LYS H H 8.031 0.003 1 317 326 91 LYS C C 179.601 0.009 1 318 326 91 LYS CA C 60.133 0.033 1 319 326 91 LYS CB C 32.435 0.029 1 320 326 91 LYS N N 117.542 0.041 1 321 327 92 GLU H H 7.809 0.002 1 322 327 92 GLU C C 179.384 0.025 1 323 327 92 GLU CA C 59.596 0.067 1 324 327 92 GLU CB C 29.200 0.030 1 325 327 92 GLU N N 121.198 0.050 1 326 328 93 ILE H H 8.007 0.003 1 327 328 93 ILE C C 177.756 0.038 1 328 328 93 ILE CA C 66.325 0.083 1 329 328 93 ILE CB C 37.241 0.069 1 330 328 93 ILE N N 119.221 0.022 1 331 329 94 LEU H H 8.678 0.005 1 332 329 94 LEU C C 178.374 0.010 1 333 329 94 LEU CA C 57.924 0.054 1 334 329 94 LEU CB C 41.562 0.014 1 335 329 94 LEU N N 120.028 0.062 1 336 330 95 ALA H H 8.089 0.003 1 337 330 95 ALA C C 181.306 0.033 1 338 330 95 ALA CA C 55.409 0.071 1 339 330 95 ALA CB C 17.748 0.017 1 340 330 95 ALA N N 121.807 0.038 1 341 331 96 ILE H H 7.738 0.005 1 342 331 96 ILE C C 177.905 0.022 1 343 331 96 ILE CA C 65.522 0.050 1 344 331 96 ILE CB C 38.629 0.050 1 345 331 96 ILE N N 120.852 0.069 1 346 332 97 ALA H H 8.574 0.002 1 347 332 97 ALA C C 179.153 0.066 1 348 332 97 ALA CA C 55.145 0.047 1 349 332 97 ALA CB C 17.550 0.004 1 350 332 97 ALA N N 121.881 0.037 1 351 333 98 ARG H H 8.726 0.005 1 352 333 98 ARG C C 178.152 0.007 1 353 333 98 ARG CA C 59.654 0.026 1 354 333 98 ARG CB C 30.031 0.007 1 355 333 98 ARG N N 116.958 0.071 1 356 334 99 ARG H H 7.653 0.002 1 357 334 99 ARG C C 180.052 0.042 1 358 334 99 ARG CA C 59.689 0.039 1 359 334 99 ARG CB C 29.549 0.021 1 360 334 99 ARG N N 119.973 0.037 1 361 335 100 MET H H 8.302 0.002 1 362 335 100 MET C C 178.720 0.007 1 363 335 100 MET CA C 59.535 0.049 1 364 335 100 MET CB C 33.856 0.080 1 365 335 100 MET N N 119.393 0.054 1 366 336 101 ALA H H 8.833 0.008 1 367 336 101 ALA C C 182.136 0.002 1 368 336 101 ALA CA C 54.901 0.030 1 369 336 101 ALA CB C 17.799 0.018 1 370 336 101 ALA N N 124.621 0.041 1 371 337 102 ASP H H 8.663 0.003 1 372 337 102 ASP C C 177.453 0.003 1 373 337 102 ASP CA C 57.119 0.022 1 374 337 102 ASP CB C 40.213 0.033 1 375 337 102 ASP N N 121.780 0.041 1 376 338 103 ALA H H 7.479 0.002 1 377 338 103 ALA C C 177.759 0.029 1 378 338 103 ALA CA C 52.185 0.073 1 379 338 103 ALA CB C 19.304 0.030 1 380 338 103 ALA N N 119.235 0.034 1 381 339 104 GLY H H 7.973 0.003 1 382 339 104 GLY C C 175.010 0.005 1 383 339 104 GLY CA C 45.669 0.012 1 384 339 104 GLY N N 107.048 0.115 1 385 340 105 GLU H H 8.209 0.003 1 386 340 105 GLU C C 175.046 0.015 1 387 340 105 GLU CA C 56.645 0.030 1 388 340 105 GLU CB C 31.208 0.044 1 389 340 105 GLU N N 117.218 0.056 1 390 341 106 LEU H H 7.096 0.003 1 391 341 106 LEU C C 174.437 0.012 1 392 341 106 LEU CA C 53.908 0.038 1 393 341 106 LEU CB C 45.409 0.044 1 394 341 106 LEU N N 116.945 0.062 1 395 342 107 MET H H 8.947 0.006 1 396 342 107 MET C C 175.007 0.012 1 397 342 107 MET CA C 54.395 0.039 1 398 342 107 MET CB C 33.072 0.038 1 399 342 107 MET N N 123.872 0.065 1 400 343 108 LEU H H 8.516 0.002 1 401 343 108 LEU C C 176.701 0.019 1 402 343 108 LEU CA C 54.359 0.058 1 403 343 108 LEU CB C 41.840 0.012 1 404 343 108 LEU N N 124.190 0.076 1 405 344 109 SER H H 8.139 0.012 1 406 344 109 SER C C 174.826 0.014 1 407 344 109 SER CA C 58.300 0.049 1 408 344 109 SER CB C 64.122 0.018 1 409 344 109 SER N N 115.526 0.118 1 410 345 110 GLY H H 8.584 0.001 1 411 345 110 GLY C C 174.680 0.013 1 412 345 110 GLY CA C 45.448 0.014 1 413 345 110 GLY N N 110.441 0.056 1 414 346 111 GLY H H 8.421 0.003 1 415 346 111 GLY C C 174.037 0.002 1 416 346 111 GLY CA C 45.224 0.027 1 417 346 111 GLY N N 108.850 0.024 1 418 347 112 ALA H H 8.327 0.002 1 419 347 112 ALA C C 177.624 0.006 1 420 347 112 ALA CA C 52.726 0.036 1 421 347 112 ALA CB C 19.331 0.007 1 422 347 112 ALA N N 123.655 0.069 1 423 348 113 ASP H H 8.351 0.002 1 424 348 113 ASP C C 176.231 0.002 1 425 348 113 ASP CA C 54.622 0.042 1 426 348 113 ASP CB C 41.113 0.050 1 427 348 113 ASP N N 119.088 0.065 1 428 349 114 GLU H H 8.191 0.006 1 429 349 114 GLU C C 175.952 0.025 1 430 349 114 GLU CA C 56.797 0.020 1 431 349 114 GLU CB C 30.367 0.011 1 432 349 114 GLU N N 120.498 0.036 1 433 350 115 PHE H H 8.238 0.002 1 434 350 115 PHE C C 174.767 0.002 1 435 350 115 PHE CA C 57.509 0.051 1 436 350 115 PHE CB C 39.402 0.038 1 437 350 115 PHE N N 120.358 0.041 1 438 351 116 LEU H H 7.741 0.005 1 439 351 116 LEU C C 182.389 0.000 1 440 351 116 LEU CA C 56.807 0.026 1 441 351 116 LEU CB C 43.443 0.000 1 442 351 116 LEU N N 128.484 0.009 1 stop_ save_