data_12010 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments for FliGc protein ; _BMRB_accession_number 12010 _BMRB_flat_file_name bmr12010.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" 96 "13C chemical shifts" 288 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 12011 'Backbone 1H, 13C, 15N chemical shift assignments for FliGc A282T mutated 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' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'flagellar protein FliGc' $flagellar_protein_FliGc 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common flagellar_protein_FliGc _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; MNHKVHHHHHHIEGRHMMFV FENLVEVDDQGIQKLLRDVP QDVLQKALKGADDSLREKVF 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 ALA 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 '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 '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 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 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_ _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' _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 1 253 18 MET H H 8.473 0.002 1 2 253 18 MET C C 175.067 0.011 1 3 253 18 MET CA C 54.948 0.019 1 4 253 18 MET CB C 32.128 0.000 1 5 253 18 MET N N 119.931 0.049 1 6 254 19 PHE H H 8.054 0.001 1 7 254 19 PHE C C 174.982 0.038 1 8 254 19 PHE CA C 58.541 0.014 1 9 254 19 PHE CB C 39.894 0.015 1 10 254 19 PHE N N 123.250 0.038 1 11 255 20 VAL H H 8.051 0.004 1 12 255 20 VAL C C 176.440 0.015 1 13 255 20 VAL CA C 59.948 0.038 1 14 255 20 VAL CB C 34.449 0.000 1 15 255 20 VAL N N 119.314 0.076 1 16 256 21 PHE H H 9.140 0.008 1 17 256 21 PHE C C 176.082 0.025 1 18 256 21 PHE CA C 63.169 0.062 1 19 256 21 PHE CB C 39.654 0.078 1 20 256 21 PHE N N 123.663 0.058 1 21 257 22 GLU H H 9.168 0.005 1 22 257 22 GLU C C 177.962 0.004 1 23 257 22 GLU CA C 59.585 0.090 1 24 257 22 GLU CB C 28.397 0.013 1 25 257 22 GLU N N 113.718 0.053 1 26 258 23 ASN H H 7.850 0.002 1 27 258 23 ASN C C 176.502 0.034 1 28 258 23 ASN CA C 54.886 0.069 1 29 258 23 ASN CB C 38.764 0.059 1 30 258 23 ASN N N 115.915 0.029 1 31 259 24 LEU H H 8.012 0.002 1 32 259 24 LEU C C 177.355 0.011 1 33 259 24 LEU CA C 57.820 0.047 1 34 259 24 LEU CB C 41.293 0.006 1 35 259 24 LEU N N 120.771 0.059 1 36 260 25 VAL H H 6.892 0.001 1 37 260 25 VAL C C 175.588 0.014 1 38 260 25 VAL CA C 64.419 0.041 1 39 260 25 VAL CB C 31.780 0.031 1 40 260 25 VAL N N 111.130 0.074 1 41 261 26 GLU H H 7.602 0.002 1 42 261 26 GLU C C 176.991 0.030 1 43 261 26 GLU CA C 56.096 0.072 1 44 261 26 GLU CB C 30.067 0.015 1 45 261 26 GLU N N 117.912 0.082 1 46 262 27 VAL H H 7.256 0.002 1 47 262 27 VAL C C 174.689 0.011 1 48 262 27 VAL CA C 62.583 0.033 1 49 262 27 VAL CB C 31.835 0.024 1 50 262 27 VAL N N 122.045 0.041 1 51 263 28 ASP H H 8.473 0.001 1 52 263 28 ASP C C 176.311 0.008 1 53 263 28 ASP CA C 54.417 0.084 1 54 263 28 ASP CB C 41.529 0.017 1 55 263 28 ASP N N 124.797 0.038 1 56 264 29 ASP H H 8.623 0.002 1 57 264 29 ASP C C 177.823 0.022 1 58 264 29 ASP CA C 58.726 0.033 1 59 264 29 ASP CB C 40.751 0.029 1 60 264 29 ASP N N 122.210 0.047 1 61 265 30 GLN H H 8.555 0.001 1 62 265 30 GLN C C 178.868 0.008 1 63 265 30 GLN CA C 59.562 0.079 1 64 265 30 GLN CB C 27.961 0.013 1 65 265 30 GLN N N 117.394 0.026 1 66 266 31 GLY H H 8.065 0.002 1 67 266 31 GLY C C 175.417 0.029 1 68 266 31 GLY CA C 47.479 0.009 1 69 266 31 GLY N N 110.164 0.021 1 70 267 32 ILE H H 8.102 0.002 1 71 267 32 ILE C C 177.853 0.022 1 72 267 32 ILE CA C 62.210 0.056 1 73 267 32 ILE CB C 34.824 0.054 1 74 267 32 ILE N N 121.693 0.054 1 75 268 33 GLN H H 8.389 0.003 1 76 268 33 GLN C C 178.983 0.041 1 77 268 33 GLN CA C 60.225 0.025 1 78 268 33 GLN CB C 27.709 0.014 1 79 268 33 GLN N N 118.006 0.062 1 80 269 34 LYS H H 7.637 0.003 1 81 269 34 LYS C C 178.846 0.013 1 82 269 34 LYS CA C 59.764 0.010 1 83 269 34 LYS CB C 32.430 0.076 1 84 269 34 LYS N N 118.729 0.059 1 85 270 35 LEU H H 8.256 0.002 1 86 270 35 LEU C C 178.353 0.002 1 87 270 35 LEU CA C 58.425 0.039 1 88 270 35 LEU CB C 42.468 0.035 1 89 270 35 LEU N N 121.883 0.089 1 90 271 36 LEU H H 8.415 0.002 1 91 271 36 LEU C C 179.062 0.011 1 92 271 36 LEU CA C 57.076 0.023 1 93 271 36 LEU CB C 41.589 0.046 1 94 271 36 LEU N N 113.964 0.068 1 95 272 37 ARG H H 7.311 0.002 1 96 272 37 ARG C C 177.513 0.019 1 97 272 37 ARG CA C 58.922 0.024 1 98 272 37 ARG CB C 30.386 0.007 1 99 272 37 ARG N N 116.866 0.054 1 100 273 38 ASP H H 7.554 0.002 1 101 273 38 ASP C C 175.753 0.011 1 102 273 38 ASP CA C 54.218 0.041 1 103 273 38 ASP CB C 42.630 0.048 1 104 273 38 ASP N N 116.439 0.060 1 105 274 39 VAL H H 7.323 0.003 1 106 274 39 VAL C C 173.767 0.000 1 107 274 39 VAL CA C 59.967 0.068 1 108 274 39 VAL CB C 33.396 0.000 1 109 274 39 VAL N N 120.425 0.085 1 110 275 40 PRO C C 177.856 0.001 1 111 275 40 PRO CA C 62.896 0.019 1 112 275 40 PRO CB C 32.777 0.001 1 113 276 41 GLN H H 9.094 0.002 1 114 276 41 GLN C C 177.148 0.020 1 115 276 41 GLN CA C 60.139 0.056 1 116 276 41 GLN CB C 28.866 0.006 1 117 276 41 GLN N N 124.547 0.032 1 118 277 42 ASP H H 8.925 0.001 1 119 277 42 ASP C C 178.057 0.019 1 120 277 42 ASP CA C 56.824 0.013 1 121 277 42 ASP CB C 39.716 0.029 1 122 277 42 ASP N N 116.237 0.035 1 123 278 43 VAL H H 6.909 0.002 1 124 278 43 VAL C C 177.378 0.017 1 125 278 43 VAL CA C 65.665 0.014 1 126 278 43 VAL CB C 32.208 0.036 1 127 278 43 VAL N N 121.301 0.057 1 128 279 44 LEU H H 7.905 0.001 1 129 279 44 LEU C C 177.972 0.007 1 130 279 44 LEU CA C 58.227 0.056 1 131 279 44 LEU CB C 41.822 0.057 1 132 279 44 LEU N N 119.299 0.036 1 133 280 45 GLN H H 8.370 0.001 1 134 280 45 GLN C C 177.675 0.024 1 135 280 45 GLN CA C 60.197 0.028 1 136 280 45 GLN CB C 28.556 0.040 1 137 280 45 GLN N N 115.592 0.037 1 138 281 46 LYS H H 7.407 0.001 1 139 281 46 LYS C C 177.321 0.029 1 140 281 46 LYS CA C 60.620 0.037 1 141 281 46 LYS CB C 33.375 0.039 1 142 281 46 LYS N N 115.828 0.029 1 143 282 47 ALA H H 8.112 0.001 1 144 282 47 ALA C C 180.073 0.044 1 145 282 47 ALA CA C 54.816 0.018 1 146 282 47 ALA CB C 19.678 0.013 1 147 282 47 ALA N N 117.132 0.022 1 148 283 48 LEU H H 8.315 0.002 1 149 283 48 LEU C C 179.964 0.041 1 150 283 48 LEU CA C 55.938 0.062 1 151 283 48 LEU CB C 42.125 0.045 1 152 283 48 LEU N N 113.324 0.074 1 153 284 49 LYS H H 8.127 0.003 1 154 284 49 LYS C C 177.367 0.010 1 155 284 49 LYS CA C 58.235 0.057 1 156 284 49 LYS CB C 31.213 0.038 1 157 284 49 LYS N N 123.583 0.051 1 158 285 50 GLY H H 7.179 0.001 1 159 285 50 GLY C C 173.010 0.006 1 160 285 50 GLY CA C 44.960 0.043 1 161 285 50 GLY N N 102.542 0.057 1 162 286 51 ALA H H 7.401 0.005 1 163 286 51 ALA C C 176.157 0.007 1 164 286 51 ALA CA C 50.615 0.064 1 165 286 51 ALA CB C 22.130 0.030 1 166 286 51 ALA N N 123.398 0.019 1 167 287 52 ASP H H 8.835 0.001 1 168 287 52 ASP C C 176.269 0.007 1 169 287 52 ASP CA C 53.410 0.035 1 170 287 52 ASP CB C 42.121 0.019 1 171 287 52 ASP N N 120.273 0.069 1 172 288 53 ASP H H 8.675 0.001 1 173 288 53 ASP C C 178.102 0.006 1 174 288 53 ASP CA C 58.196 0.074 1 175 288 53 ASP CB C 40.940 0.018 1 176 288 53 ASP N N 119.783 0.038 1 177 289 54 SER H H 8.459 0.001 1 178 289 54 SER C C 176.979 0.040 1 179 289 54 SER CA C 61.881 0.160 1 180 289 54 SER N N 115.235 0.049 1 181 290 55 LEU H H 7.771 0.004 1 182 290 55 LEU C C 178.537 0.019 1 183 290 55 LEU CA C 57.531 0.060 1 184 290 55 LEU CB C 41.058 0.050 1 185 290 55 LEU N N 125.853 0.050 1 186 291 56 ARG H H 8.016 0.001 1 187 291 56 ARG C C 176.865 0.023 1 188 291 56 ARG CA C 60.723 0.045 1 189 291 56 ARG CB C 29.927 0.024 1 190 291 56 ARG N N 116.844 0.051 1 191 292 57 GLU H H 8.328 0.001 1 192 292 57 GLU C C 178.698 0.008 1 193 292 57 GLU CA C 59.103 0.041 1 194 292 57 GLU CB C 28.791 0.045 1 195 292 57 GLU N N 114.572 0.047 1 196 293 58 LYS H H 7.384 0.003 1 197 293 58 LYS C C 177.304 0.005 1 198 293 58 LYS CA C 58.192 0.054 1 199 293 58 LYS CB C 32.495 0.055 1 200 293 58 LYS N N 120.303 0.070 1 201 294 59 VAL H H 7.541 0.002 1 202 294 59 VAL C C 178.150 0.033 1 203 294 59 VAL CA C 67.074 0.057 1 204 294 59 VAL CB C 30.973 0.017 1 205 294 59 VAL N N 118.414 0.035 1 206 295 60 PHE H H 8.827 0.001 1 207 295 60 PHE C C 179.049 0.012 1 208 295 60 PHE CA C 58.462 0.030 1 209 295 60 PHE CB C 37.766 0.034 1 210 295 60 PHE N N 117.853 0.063 1 211 296 61 LYS H H 8.172 0.001 1 212 296 61 LYS C C 176.407 0.013 1 213 296 61 LYS CA C 58.238 0.040 1 214 296 61 LYS CB C 31.618 0.024 1 215 296 61 LYS N N 115.989 0.045 1 216 297 62 ASN H H 7.590 0.002 1 217 297 62 ASN C C 172.641 0.006 1 218 297 62 ASN CA C 54.469 0.051 1 219 297 62 ASN CB C 41.249 0.016 1 220 297 62 ASN N N 117.798 0.056 1 221 298 63 MET H H 7.358 0.001 1 222 298 63 MET C C 175.338 0.029 1 223 298 63 MET CA C 54.730 0.041 1 224 298 63 MET CB C 37.290 0.041 1 225 298 63 MET N N 118.026 0.025 1 226 299 64 SER H H 8.732 0.001 1 227 299 64 SER C C 174.450 0.042 1 228 299 64 SER CA C 58.491 0.026 1 229 299 64 SER CB C 63.818 0.024 1 230 299 64 SER N N 116.948 0.067 1 231 300 65 LYS H H 8.720 0.003 1 232 300 65 LYS C C 179.220 0.023 1 233 300 65 LYS CA C 60.266 0.028 1 234 300 65 LYS CB C 32.445 0.036 1 235 300 65 LYS N N 123.555 0.051 1 236 301 66 ARG H H 8.601 0.001 1 237 301 66 ARG C C 178.352 0.012 1 238 301 66 ARG CA C 58.396 0.032 1 239 301 66 ARG CB C 29.691 0.045 1 240 301 66 ARG N N 117.247 0.025 1 241 302 67 ALA H H 7.662 0.002 1 242 302 67 ALA C C 180.885 0.007 1 243 302 67 ALA CA C 54.986 0.008 1 244 302 67 ALA CB C 18.448 0.008 1 245 302 67 ALA N N 121.773 0.047 1 246 303 68 ALA H H 8.826 0.002 1 247 303 68 ALA C C 179.156 0.006 1 248 303 68 ALA CA C 55.340 0.020 1 249 303 68 ALA CB C 18.918 0.033 1 250 303 68 ALA N N 122.105 0.021 1 251 304 69 GLU H H 7.963 0.001 1 252 304 69 GLU C C 178.927 0.035 1 253 304 69 GLU CA C 59.404 0.039 1 254 304 69 GLU CB C 29.398 0.015 1 255 304 69 GLU N N 118.053 0.032 1 256 305 70 MET H H 7.817 0.002 1 257 305 70 MET C C 177.852 0.009 1 258 305 70 MET CA C 58.787 0.020 1 259 305 70 MET CB C 33.121 0.012 1 260 305 70 MET N N 116.906 0.069 1 261 306 71 MET H H 8.172 0.001 1 262 306 71 MET C C 177.781 0.055 1 263 306 71 MET CA C 58.515 0.041 1 264 306 71 MET CB C 31.619 0.018 1 265 306 71 MET N N 118.876 0.048 1 266 307 72 ARG H H 8.361 0.002 1 267 307 72 ARG C C 179.171 0.002 1 268 307 72 ARG CA C 60.341 0.020 1 269 307 72 ARG CB C 29.773 0.005 1 270 307 72 ARG N N 119.810 0.065 1 271 308 73 ASP H H 7.614 0.002 1 272 308 73 ASP C C 179.071 0.019 1 273 308 73 ASP CA C 57.222 0.043 1 274 308 73 ASP CB C 39.902 0.016 1 275 308 73 ASP N N 119.211 0.048 1 276 309 74 ASP H H 8.668 0.001 1 277 309 74 ASP C C 179.897 0.009 1 278 309 74 ASP CA C 57.552 0.072 1 279 309 74 ASP CB C 40.003 0.063 1 280 309 74 ASP N N 122.521 0.041 1 281 310 75 ILE H H 8.751 0.003 1 282 310 75 ILE C C 178.423 0.044 1 283 310 75 ILE CA C 65.459 0.054 1 284 310 75 ILE CB C 38.153 0.071 1 285 310 75 ILE N N 119.822 0.074 1 286 311 76 GLU H H 7.853 0.002 1 287 311 76 GLU C C 177.602 0.020 1 288 311 76 GLU CA C 58.630 0.068 1 289 311 76 GLU CB C 29.272 0.027 1 290 311 76 GLU N N 120.133 0.070 1 291 312 77 ALA H H 7.575 0.002 1 292 312 77 ALA C C 177.934 0.025 1 293 312 77 ALA CA C 52.552 0.074 1 294 312 77 ALA CB C 19.532 0.038 1 295 312 77 ALA N N 118.516 0.062 1 296 313 78 MET H H 7.409 0.002 1 297 313 78 MET C C 173.713 0.000 1 298 313 78 MET CA C 55.174 0.008 1 299 313 78 MET CB C 33.334 0.000 1 300 313 78 MET N N 120.755 0.026 1 301 315 80 PRO C C 176.308 0.005 1 302 315 80 PRO CA C 63.831 0.010 1 303 315 80 PRO CB C 31.918 0.037 1 304 316 81 VAL H H 8.240 0.001 1 305 316 81 VAL C C 176.061 0.035 1 306 316 81 VAL CA C 60.101 0.044 1 307 316 81 VAL CB C 34.074 0.047 1 308 316 81 VAL N N 123.107 0.057 1 309 317 82 ARG H H 9.063 0.001 1 310 317 82 ARG C C 178.380 0.078 1 311 317 82 ARG CA C 56.543 0.019 1 312 317 82 ARG CB C 30.367 0.037 1 313 317 82 ARG N N 126.863 0.054 1 314 318 83 VAL H H 8.785 0.001 1 315 318 83 VAL C C 178.039 0.020 1 316 318 83 VAL CA C 67.090 0.062 1 317 318 83 VAL CB C 31.432 0.053 1 318 318 83 VAL N N 125.095 0.074 1 319 319 84 ALA H H 8.704 0.001 1 320 319 84 ALA C C 180.730 0.009 1 321 319 84 ALA CA C 55.018 0.019 1 322 319 84 ALA CB C 18.460 0.019 1 323 319 84 ALA N N 119.747 0.051 1 324 320 85 ASP H H 7.329 0.002 1 325 320 85 ASP C C 179.169 0.016 1 326 320 85 ASP CA C 56.684 0.026 1 327 320 85 ASP CB C 40.586 0.091 1 328 320 85 ASP N N 117.548 0.048 1 329 321 86 VAL H H 7.796 0.002 1 330 321 86 VAL C C 178.287 0.017 1 331 321 86 VAL CA C 66.963 0.055 1 332 321 86 VAL CB C 31.943 0.023 1 333 321 86 VAL N N 124.482 0.083 1 334 322 87 GLU H H 8.512 0.003 1 335 322 87 GLU C C 179.098 0.011 1 336 322 87 GLU CA C 59.689 0.054 1 337 322 87 GLU CB C 29.289 0.009 1 338 322 87 GLU N N 118.907 0.035 1 339 323 88 ALA H H 7.878 0.001 1 340 323 88 ALA C C 180.423 0.015 1 341 323 88 ALA CA C 55.235 0.008 1 342 323 88 ALA CB C 18.144 0.011 1 343 323 88 ALA N N 120.326 0.065 1 344 324 89 ALA H H 7.580 0.001 1 345 324 89 ALA C C 179.421 0.024 1 346 324 89 ALA CA C 55.136 0.022 1 347 324 89 ALA CB C 18.815 0.029 1 348 324 89 ALA N N 122.639 0.047 1 349 325 90 GLN H H 8.228 0.002 1 350 325 90 GLN C C 178.419 0.027 1 351 325 90 GLN CA C 59.517 0.043 1 352 325 90 GLN CB C 27.204 0.010 1 353 325 90 GLN N N 116.564 0.066 1 354 326 91 LYS H H 8.400 0.002 1 355 326 91 LYS C C 179.544 0.002 1 356 326 91 LYS CA C 60.067 0.030 1 357 326 91 LYS CB C 32.359 0.071 1 358 326 91 LYS N N 118.379 0.062 1 359 327 92 GLU H H 7.904 0.001 1 360 327 92 GLU C C 179.219 0.018 1 361 327 92 GLU CA C 59.569 0.080 1 362 327 92 GLU CB C 28.972 0.016 1 363 327 92 GLU N N 122.009 0.047 1 364 328 93 ILE H H 7.819 0.002 1 365 328 93 ILE C C 177.758 0.022 1 366 328 93 ILE CA C 66.155 0.029 1 367 328 93 ILE CB C 37.296 0.056 1 368 328 93 ILE N N 119.085 0.059 1 369 329 94 LEU H H 8.582 0.001 1 370 329 94 LEU C C 178.135 0.035 1 371 329 94 LEU CA C 57.927 0.070 1 372 329 94 LEU CB C 41.894 0.015 1 373 329 94 LEU N N 119.757 0.063 1 374 330 95 ALA H H 8.172 0.004 1 375 330 95 ALA C C 181.317 0.025 1 376 330 95 ALA CA C 55.395 0.029 1 377 330 95 ALA CB C 17.749 0.030 1 378 330 95 ALA N N 121.904 0.050 1 379 331 96 ILE H H 7.802 0.002 1 380 331 96 ILE C C 177.991 0.020 1 381 331 96 ILE CA C 65.576 0.027 1 382 331 96 ILE CB C 38.567 0.091 1 383 331 96 ILE N N 121.221 0.058 1 384 332 97 ALA H H 8.573 0.001 1 385 332 97 ALA C C 179.226 0.018 1 386 332 97 ALA CA C 55.204 0.037 1 387 332 97 ALA CB C 17.548 0.031 1 388 332 97 ALA N N 121.937 0.035 1 389 333 98 ARG H H 8.776 0.001 1 390 333 98 ARG C C 178.145 0.014 1 391 333 98 ARG CA C 59.723 0.054 1 392 333 98 ARG CB C 30.052 0.040 1 393 333 98 ARG N N 117.171 0.032 1 394 334 99 ARG H H 7.686 0.001 1 395 334 99 ARG C C 180.114 0.025 1 396 334 99 ARG CA C 59.772 0.101 1 397 334 99 ARG CB C 29.592 0.030 1 398 334 99 ARG N N 120.068 0.065 1 399 335 100 MET H H 8.329 0.002 1 400 335 100 MET C C 178.742 0.011 1 401 335 100 MET CA C 59.590 0.063 1 402 335 100 MET CB C 33.880 0.089 1 403 335 100 MET N N 119.506 0.032 1 404 336 101 ALA H H 8.851 0.002 1 405 336 101 ALA C C 182.172 0.012 1 406 336 101 ALA CA C 54.892 0.015 1 407 336 101 ALA CB C 17.803 0.017 1 408 336 101 ALA N N 124.670 0.029 1 409 337 102 ASP H H 8.670 0.002 1 410 337 102 ASP C C 177.459 0.007 1 411 337 102 ASP CA C 57.168 0.048 1 412 337 102 ASP CB C 40.145 0.003 1 413 337 102 ASP N N 121.871 0.038 1 414 338 103 ALA H H 7.470 0.001 1 415 338 103 ALA C C 177.731 0.033 1 416 338 103 ALA CA C 52.145 0.069 1 417 338 103 ALA CB C 19.290 0.017 1 418 338 103 ALA N N 119.238 0.031 1 419 339 104 GLY H H 7.973 0.001 1 420 339 104 GLY C C 175.005 0.019 1 421 339 104 GLY CA C 45.657 0.013 1 422 339 104 GLY N N 107.046 0.104 1 423 340 105 GLU H H 8.221 0.003 1 424 340 105 GLU C C 175.047 0.004 1 425 340 105 GLU CA C 56.636 0.049 1 426 340 105 GLU CB C 31.253 0.029 1 427 340 105 GLU N N 117.229 0.024 1 428 341 106 LEU H H 7.089 0.002 1 429 341 106 LEU C C 174.386 0.006 1 430 341 106 LEU CA C 53.910 0.067 1 431 341 106 LEU CB C 45.431 0.032 1 432 341 106 LEU N N 116.738 0.067 1 433 342 107 MET H H 8.931 0.002 1 434 342 107 MET C C 175.055 0.010 1 435 342 107 MET CA C 54.316 0.047 1 436 342 107 MET CB C 33.139 0.068 1 437 342 107 MET N N 123.661 0.038 1 438 343 108 LEU H H 8.538 0.001 1 439 343 108 LEU C C 176.556 0.023 1 440 343 108 LEU CA C 54.390 0.069 1 441 343 108 LEU CB C 41.606 0.031 1 442 343 108 LEU N N 124.386 0.069 1 443 344 109 SER H H 8.060 0.001 1 444 344 109 SER C C 174.727 0.025 1 445 344 109 SER CA C 58.259 0.061 1 446 344 109 SER CB C 64.122 0.000 1 447 344 109 SER N N 115.141 0.049 1 448 345 110 GLY H H 8.575 0.001 1 449 345 110 GLY C C 174.666 0.022 1 450 345 110 GLY CA C 45.420 0.018 1 451 345 110 GLY N N 110.337 0.037 1 452 346 111 GLY H H 8.423 0.002 1 453 346 111 GLY C C 174.000 0.004 1 454 346 111 GLY CA C 45.211 0.022 1 455 346 111 GLY N N 108.844 0.019 1 456 347 112 ALA H H 8.336 0.002 1 457 347 112 ALA C C 177.610 0.006 1 458 347 112 ALA CA C 52.659 0.050 1 459 347 112 ALA CB C 19.350 0.017 1 460 347 112 ALA N N 123.680 0.067 1 461 348 113 ASP H H 8.353 0.000 1 462 348 113 ASP C C 176.194 0.002 1 463 348 113 ASP CA C 54.588 0.052 1 464 348 113 ASP CB C 41.160 0.028 1 465 348 113 ASP N N 119.242 0.029 1 466 349 114 GLU H H 8.212 0.001 1 467 349 114 GLU C C 175.943 0.019 1 468 349 114 GLU CA C 56.766 0.008 1 469 349 114 GLU CB C 30.394 0.011 1 470 349 114 GLU N N 120.591 0.026 1 471 350 115 PHE H H 8.267 0.001 1 472 350 115 PHE C C 174.793 0.006 1 473 350 115 PHE CA C 57.469 0.042 1 474 350 115 PHE CB C 39.464 0.028 1 475 350 115 PHE N N 120.523 0.041 1 476 351 116 LEU H H 7.785 0.000 1 477 351 116 LEU C C 182.407 0.000 1 478 351 116 LEU CA C 56.776 0.001 1 479 351 116 LEU CB C 43.521 0.000 1 480 351 116 LEU N N 128.608 0.003 1 stop_ save_