data_6710 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PB1 domain of P67phox ; _BMRB_accession_number 6710 _BMRB_flat_file_name bmr6710.str _Entry_type original _Submission_date 2005-06-29 _Accession_date 2005-06-29 _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 Chenavas Sylvie . . 2 Simorre Jean-Pierre . . 3 Dubosclard Virginie . . 4 Pebay-Peyroula Eva . . 5 Gans Pierre . . 6 Brutscher Bernhard . . 7 Fieschi Franck . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 143 "13C chemical shifts" 220 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR characterization of free and complexed p67phox and p40phox PB1 domains in solution' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chenavas Sylvie . . 2 Simorre Jean-pierre . . 3 Dubosclard Virginie . . 4 Pebay-peyroula Eva . . 5 Gans Pierre . . 6 Brutscher Bernhard . . 7 Fieschi Franck . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _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 . _Details . loop_ _Keyword 'NADPH oxidase' 'PB1 domains' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PB1 domain of p67phox' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PB1 domain of p67phox' $PB1_p67phox_polypeptide stop_ _System_molecular_weight 12000 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Signal transduction' 'Activation NADPH oxidase' stop_ _Database_query_date . _Details 'Scaffolding domain' save_ ######################## # Monomeric polymers # ######################## save_PB1_p67phox_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PB1 p67' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MKLSVPMPYTLKVHYKYTVV MKTQPGLPYSQVRDMVSKKL ELRLEHTKLSYRPRDSNELV PLSEDSMKDAWGQVKNYCLT LWCEN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 324 MET 2 325 GLY 3 326 SER 4 327 SER 5 328 HIS 6 329 HIS 7 330 HIS 8 331 HIS 9 332 HIS 10 333 HIS 11 334 SER 12 335 SER 13 336 GLY 14 337 LEU 15 338 VAL 16 339 PRO 17 340 ARG 18 341 GLY 19 342 SER 20 343 HIS 21 344 MET 22 345 LYS 23 346 LEU 24 347 SER 25 348 VAL 26 349 PRO 27 350 MET 28 351 PRO 29 352 TYR 30 353 THR 31 354 LEU 32 355 LYS 33 356 VAL 34 357 HIS 35 358 TYR 36 359 LYS 37 360 TYR 38 361 THR 39 362 VAL 40 363 VAL 41 364 MET 42 365 LYS 43 366 THR 44 367 GLN 45 368 PRO 46 369 GLY 47 370 LEU 48 371 PRO 49 372 TYR 50 373 SER 51 374 GLN 52 375 VAL 53 376 ARG 54 377 ASP 55 378 MET 56 379 VAL 57 380 SER 58 381 LYS 59 382 LYS 60 383 LEU 61 384 GLU 62 385 LEU 63 386 ARG 64 387 LEU 65 388 GLU 66 389 HIS 67 390 THR 68 391 LYS 69 392 LEU 70 393 SER 71 394 TYR 72 395 ARG 73 396 PRO 74 397 ARG 75 398 ASP 76 399 SER 77 400 ASN 78 401 GLU 79 402 LEU 80 403 VAL 81 404 PRO 82 405 LEU 83 406 SER 84 407 GLU 85 408 ASP 86 409 SER 87 410 MET 88 411 LYS 89 412 ASP 90 413 ALA 91 414 TRP 92 415 GLY 93 416 GLN 94 417 VAL 95 418 LYS 96 419 ASN 97 420 TYR 98 421 CYS 99 422 LEU 100 423 THR 101 424 LEU 102 425 TRP 103 426 CYS 104 427 GLU 105 428 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAD92884 "neutrophil cytosol factor 2 variant [Homo sapiens]" 81.90 598 97.67 98.84 1.36e-50 DBJ BAG35548 "unnamed protein product [Homo sapiens]" 80.95 526 98.82 100.00 3.17e-51 DBJ BAG59269 "unnamed protein product [Homo sapiens]" 81.90 420 97.67 98.84 5.59e-52 DBJ BAG60869 "unnamed protein product [Homo sapiens]" 80.95 481 98.82 100.00 7.44e-52 DBJ BAJ20290 "neutrophil cytosolic factor 2 [synthetic construct]" 80.95 526 97.65 98.82 2.04e-50 GB AAA36379 "neutrophil oxidase factor [Homo sapiens]" 80.95 526 98.82 100.00 3.44e-51 GB AAB60320 "neutrophil oxidase factor [Homo sapiens]" 80.95 526 98.82 100.00 3.17e-51 GB AAH01606 "Neutrophil cytosolic factor 2 [Homo sapiens]" 80.95 526 97.65 98.82 2.04e-50 GB AAM89263 "p67phox-like protein [Homo sapiens]" 80.95 526 98.82 100.00 3.17e-51 GB AAP36107 "neutrophil cytosolic factor 2 (65kDa, chronic granulomatous disease, autosomal 2) [Homo sapiens]" 80.95 526 97.65 98.82 2.04e-50 REF NP_000424 "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" 80.95 526 98.82 100.00 3.17e-51 REF NP_001121123 "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" 80.95 526 98.82 100.00 3.17e-51 REF NP_001177718 "neutrophil cytosol factor 2 isoform 3 [Homo sapiens]" 80.95 445 98.82 100.00 4.13e-52 REF NP_001177723 "neutrophil cytosol factor 2 isoform 2 [Homo sapiens]" 80.95 481 98.82 100.00 7.93e-52 REF XP_004028077 "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Gorilla gorilla gorilla]" 80.00 526 98.81 100.00 8.39e-51 SP P19878 "RecName: Full=Neutrophil cytosol factor 2; Short=NCF-2; AltName: Full=67 kDa neutrophil oxidase factor; AltName: Full=NADPH oxi" 80.95 526 98.82 100.00 3.17e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $PB1_p67phox_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens lymphoid 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 $PB1_p67phox_polypeptide 'recombinant technology' 'E. coli' . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_PB1_p67 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PB1_p67phox_polypeptide 1.2 mM '[U-98% 15N]' HEPES 50 mM . NaCl 100 mM . Dithiothreitol 2 mM . stop_ save_ save_15N_13C_PB1_p67 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PB1_p67phox_polypeptide 1.1 mM '[U-98% 15N; U-97% 13C]' HEPES 50 mM . NaCl 100 mM . Dithiothreitol 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D-HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HNCA _Sample_label . save_ save_2D-HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HN(CO)CA _Sample_label . save_ save_2D-HN(CA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HN(CA)CB _Sample_label . save_ save_2D-HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HN(COCA)CB _Sample_label . save_ save_2D-HN(CA)HA_5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HN(CA)HA _Sample_label . save_ save_2D-HN(COCA)HA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HN(COCA)HA _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 pH temperature 298 0.3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.773 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $15N_13C_PB1_p67 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'PB1 domain of p67phox' _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 1 351 28 PRO HA H 4.51 0.02 1 2 351 28 PRO C C 176.47 0.2 1 3 351 28 PRO CA C 62.82 0.2 1 4 351 28 PRO CB C 31.91 0.2 1 5 352 29 TYR H H 8.52 0.02 1 6 352 29 TYR HA H 5.35 0.02 1 7 352 29 TYR C C 176.72 0.2 1 8 352 29 TYR CA C 57.37 0.2 1 9 352 29 TYR CB C 40.41 0.2 1 10 352 29 TYR N N 120.68 0.2 1 11 353 30 THR H H 8.95 0.02 1 12 353 30 THR HA H 5.03 0.02 1 13 353 30 THR C C 172.84 0.2 1 14 353 30 THR CA C 60.65 0.2 1 15 353 30 THR CB C 72.82 0.2 1 16 353 30 THR N N 112.41 0.2 1 17 354 31 LEU H H 9.15 0.02 1 18 354 31 LEU HA H 5.26 0.02 1 19 354 31 LEU C C 174.51 0.2 1 20 354 31 LEU CA C 53.1 0.2 1 21 354 31 LEU CB C 44.83 0.2 1 22 354 31 LEU N N 123.63 0.2 1 23 355 32 LYS H H 8.84 0.02 1 24 355 32 LYS HA H 4.91 0.02 1 25 355 32 LYS C C 173.46 0.2 1 26 355 32 LYS CA C 54.37 0.2 1 27 355 32 LYS CB C 34.54 0.2 1 28 355 32 LYS N N 127.99 0.2 1 29 356 33 VAL H H 8.92 0.02 1 30 356 33 VAL HA H 4.5 0.02 1 31 356 33 VAL C C 174.66 0.2 1 32 356 33 VAL CA C 59.64 0.2 1 33 356 33 VAL CB C 33.71 0.2 1 34 356 33 VAL N N 124.07 0.2 1 35 357 34 HIS H H 8.76 0.02 1 36 357 34 HIS HA H 4.61 0.02 1 37 357 34 HIS C C 174.57 0.2 1 38 357 34 HIS CA C 55.55 0.2 1 39 357 34 HIS CB C 29.74 0.2 1 40 357 34 HIS N N 126.04 0.2 1 41 358 35 TYR H H 7.83 0.02 1 42 358 35 TYR HA H 5.26 0.02 1 43 358 35 TYR C C 175.7 0.2 1 44 358 35 TYR CA C 54.24 0.2 1 45 358 35 TYR CB C 39.63 0.2 1 46 358 35 TYR N N 130.36 0.2 1 47 359 36 LYS H H 6.18 0.02 1 48 359 36 LYS HA H 3.86 0.02 1 49 359 36 LYS C C 174.71 0.2 1 50 359 36 LYS CA C 58.86 0.2 1 51 359 36 LYS CB C 32.69 0.2 1 52 359 36 LYS N N 128.18 0.2 1 53 360 37 TYR H H 6.93 0.02 1 54 360 37 TYR HA H 4.76 0.02 1 55 360 37 TYR C C 174.38 0.2 1 56 360 37 TYR CA C 53.99 0.2 1 57 360 37 TYR CB C 39.63 0.2 1 58 360 37 TYR N N 112.39 0.2 1 59 361 38 THR H H 9.04 0.02 1 60 361 38 THR HA H 5.27 0.02 1 61 361 38 THR C C 174.41 0.2 1 62 361 38 THR CA C 63.2 0.2 1 63 361 38 THR CB C 70.2 0.2 1 64 361 38 THR N N 119.25 0.2 1 65 362 39 VAL H H 8.7 0.02 1 66 362 39 VAL HA H 4.73 0.02 1 67 362 39 VAL C C 173 0.2 1 68 362 39 VAL CA C 59.58 0.2 1 69 362 39 VAL CB C 35.44 0.2 1 70 362 39 VAL N N 123.55 0.2 1 71 363 40 VAL H H 8.33 0.02 1 72 363 40 VAL HA H 5.08 0.02 1 73 363 40 VAL C C 175.51 0.2 1 74 363 40 VAL CA C 60.79 0.2 1 75 363 40 VAL CB C 34.19 0.2 1 76 363 40 VAL N N 122.21 0.2 1 77 364 41 MET H H 9.15 0.02 1 78 364 41 MET HA H 4.85 0.02 1 79 364 41 MET C C 174.1 0.2 1 80 364 41 MET CA C 53.93 0.2 1 81 364 41 MET CB C 37.46 0.2 1 82 364 41 MET N N 124.04 0.2 1 83 365 42 LYS H H 8.55 0.02 1 84 365 42 LYS HA H 4.78 0.02 1 85 365 42 LYS C C 175.9 0.2 1 86 365 42 LYS CA C 56.65 0.2 1 87 365 42 LYS CB C 33.42 0.2 1 88 365 42 LYS N N 122.07 0.2 1 89 366 43 THR H H 8.21 0.02 1 90 366 43 THR HA H 4.74 0.02 1 91 366 43 THR C C 172.4 0.2 1 92 366 43 THR CA C 60.46 0.2 1 93 366 43 THR CB C 70.49 0.2 1 94 366 43 THR N N 115.57 0.2 1 95 367 44 GLN H H 7.86 0.02 1 96 367 44 GLN HA H 4.61 0.02 1 97 367 44 GLN CA C 53.67 0.2 1 98 367 44 GLN CB C 29.07 0.2 1 99 367 44 GLN N N 123.97 0.2 1 100 368 45 PRO HA H 3.46 0.02 1 101 368 45 PRO C C 176.67 0.2 1 102 368 45 PRO CA C 61.12 0.2 1 103 368 45 PRO CB C 30.07 0.2 1 104 369 46 GLY H H 7.89 0.02 1 105 369 46 GLY C C 173.42 0.2 1 106 369 46 GLY CA C 45.7 0.2 1 107 369 46 GLY N N 102.31 0.2 1 108 370 47 LEU H H 6.04 0.02 1 109 370 47 LEU HA H 4.27 0.02 1 110 370 47 LEU CA C 53.32 0.2 1 111 370 47 LEU CB C 42.58 0.2 1 112 370 47 LEU N N 116.8 0.2 1 113 371 48 PRO HA H 4.67 0.02 1 114 371 48 PRO C C 176.92 0.2 1 115 371 48 PRO CA C 62.41 0.2 1 116 371 48 PRO CB C 32.74 0.2 1 117 372 49 TYR H H 9.39 0.02 1 118 372 49 TYR HA H 4.31 0.02 1 119 372 49 TYR C C 176.58 0.2 1 120 372 49 TYR CA C 61.17 0.2 1 121 372 49 TYR CB C 38.6 0.2 1 122 372 49 TYR N N 123.17 0.2 1 123 373 50 SER H H 9.11 0.02 1 124 373 50 SER HA H 3.5 0.02 1 125 373 50 SER C C 176.8 0.2 1 126 373 50 SER CA C 61.39 0.2 1 127 373 50 SER N N 112.51 0.2 1 128 374 51 GLN H H 6.88 0.02 1 129 374 51 GLN HA H 4.2 0.02 1 130 374 51 GLN C C 178.27 0.2 1 131 374 51 GLN CA C 58.48 0.2 1 132 374 51 GLN CB C 29.3 0.2 1 133 374 51 GLN N N 120.66 0.2 1 134 375 52 VAL H H 7.8 0.02 1 135 375 52 VAL HA H 3.51 0.02 1 136 375 52 VAL C C 176.92 0.2 1 137 375 52 VAL CA C 66.99 0.2 1 138 375 52 VAL CB C 31.88 0.2 1 139 375 52 VAL N N 122.47 0.2 1 140 376 53 ARG H H 8.7 0.02 1 141 376 53 ARG HA H 3.42 0.02 1 142 376 53 ARG C C 177.96 0.2 1 143 376 53 ARG CA C 60.13 0.2 1 144 376 53 ARG CB C 29.48 0.2 1 145 376 53 ARG N N 118.58 0.2 1 146 377 54 ASP H H 7.46 0.02 1 147 377 54 ASP HA H 4.18 0.02 1 148 377 54 ASP C C 177.79 0.2 1 149 377 54 ASP CA C 57.99 0.2 1 150 377 54 ASP CB C 41.81 0.2 1 151 377 54 ASP N N 117.94 0.2 1 152 378 55 MET H H 8.01 0.02 1 153 378 55 MET HA H 3.99 0.02 1 154 378 55 MET C C 179.2 0.2 1 155 378 55 MET CA C 59.3 0.2 1 156 378 55 MET CB C 33.47 0.2 1 157 378 55 MET N N 117.77 0.2 1 158 379 56 VAL H H 8.22 0.02 1 159 379 56 VAL HA H 3.31 0.02 1 160 379 56 VAL C C 176.63 0.2 1 161 379 56 VAL CA C 67.36 0.2 1 162 379 56 VAL CB C 31.45 0.2 1 163 379 56 VAL N N 120.17 0.2 1 164 380 57 SER H H 8.46 0.02 1 165 380 57 SER HA H 3.88 0.02 1 166 380 57 SER C C 176.91 0.2 1 167 380 57 SER CA C 61.85 0.2 1 168 380 57 SER CB C 63 0.2 1 169 380 57 SER N N 115.6 0.2 1 170 381 58 LYS H H 7.83 0.02 1 171 381 58 LYS HA H 4.07 0.02 1 172 381 58 LYS C C 179.8 0.2 1 173 381 58 LYS CA C 58.98 0.2 1 174 381 58 LYS CB C 32.64 0.2 1 175 381 58 LYS N N 118.77 0.2 1 176 382 59 LYS H H 7.67 0.02 1 177 382 59 LYS HA H 4.2 0.02 1 178 382 59 LYS C C 178.06 0.2 1 179 382 59 LYS CA C 57.44 0.2 1 180 382 59 LYS CB C 32.33 0.2 1 181 382 59 LYS N N 120.12 0.2 1 182 383 60 LEU H H 8.11 0.02 1 183 383 60 LEU HA H 4.26 0.02 1 184 383 60 LEU C C 174.81 0.2 1 185 383 60 LEU CA C 54.58 0.2 1 186 383 60 LEU CB C 41.8 0.2 1 187 383 60 LEU N N 115.35 0.2 1 188 384 61 GLU H H 7.59 0.02 1 189 384 61 GLU HA H 3.8 0.02 1 190 384 61 GLU C C 175.06 0.2 1 191 384 61 GLU CA C 57.19 0.2 1 192 384 61 GLU CB C 26.63 0.2 1 193 384 61 GLU N N 116.1 0.2 1 194 385 62 LEU H H 8.14 0.02 1 195 385 62 LEU HA H 4.66 0.02 1 196 385 62 LEU C C 177.51 0.2 1 197 385 62 LEU CA C 52.49 0.2 1 198 385 62 LEU CB C 46.28 0.2 1 199 385 62 LEU N N 119.2 0.2 1 200 386 63 ARG H H 8.57 0.02 1 201 386 63 ARG HA H 4.13 0.02 1 202 386 63 ARG C C 179.45 0.2 1 203 386 63 ARG CA C 56.33 0.2 1 204 386 63 ARG CB C 30.03 0.2 1 205 386 63 ARG N N 121.32 0.2 1 206 387 64 LEU H H 8.86 0.02 1 207 387 64 LEU HA H 3.78 0.02 1 208 387 64 LEU C C 179.83 0.2 1 209 387 64 LEU CA C 59.3 0.2 1 210 387 64 LEU CB C 42.2 0.2 1 211 387 64 LEU N N 128.38 0.2 1 212 388 65 GLU H H 9.49 0.02 1 213 388 65 GLU HA H 4.02 0.02 1 214 388 65 GLU C C 176.66 0.2 1 215 388 65 GLU CA C 58.52 0.2 1 216 388 65 GLU CB C 28.1 0.2 1 217 388 65 GLU N N 114.73 0.2 1 218 389 66 HIS H H 7.36 0.02 1 219 389 66 HIS HA H 4.89 0.02 1 220 389 66 HIS C C 174.82 0.2 1 221 389 66 HIS CA C 54.49 0.2 1 222 389 66 HIS CB C 32.13 0.2 1 223 389 66 HIS N N 117.21 0.2 1 224 390 67 THR H H 7.81 0.02 1 225 390 67 THR HA H 3.93 0.02 1 226 390 67 THR C C 173.56 0.2 1 227 390 67 THR CA C 62.85 0.2 1 228 390 67 THR CB C 67.24 0.2 1 229 390 67 THR N N 119.4 0.2 1 230 391 68 LYS H H 8.06 0.02 1 231 391 68 LYS HA H 4.61 0.02 1 232 391 68 LYS C C 175.25 0.2 1 233 391 68 LYS CA C 55.62 0.2 1 234 391 68 LYS CB C 32.75 0.2 1 235 391 68 LYS N N 129.44 0.2 1 236 392 69 LEU H H 8.86 0.02 1 237 392 69 LEU HA H 5.73 0.02 1 238 392 69 LEU C C 176.92 0.2 1 239 392 69 LEU CA C 53.33 0.2 1 240 392 69 LEU CB C 45.89 0.2 1 241 392 69 LEU N N 125.22 0.2 1 242 393 70 SER H H 9.29 0.02 1 243 393 70 SER HA H 5.44 0.02 1 244 393 70 SER C C 171.57 0.2 1 245 393 70 SER CA C 58.26 0.2 1 246 393 70 SER CB C 67.75 0.2 1 247 393 70 SER N N 117.27 0.2 1 248 394 71 TYR H H 9.39 0.02 1 249 394 71 TYR HA H 5.52 0.02 1 250 394 71 TYR C C 171.08 0.2 1 251 394 71 TYR CA C 55.06 0.2 1 252 394 71 TYR CB C 41.78 0.2 1 253 394 71 TYR N N 121.47 0.2 1 254 395 72 ARG H H 9.17 0.02 1 255 395 72 ARG HA H 4.95 0.02 1 256 395 72 ARG CA C 52.45 0.2 1 257 395 72 ARG CB C 32.59 0.2 1 258 395 72 ARG N N 122.39 0.2 1 259 396 73 PRO HA H 4.39 0.02 1 260 396 73 PRO C C 176.03 0.2 1 261 396 73 PRO CA C 62.41 0.2 1 262 396 73 PRO CB C 32.28 0.2 1 263 397 74 ARG H H 8.45 0.02 1 264 397 74 ARG HA H 4.07 0.02 1 265 397 74 ARG C C 176.74 0.2 1 266 397 74 ARG CA C 57.97 0.2 1 267 397 74 ARG CB C 30.31 0.2 1 268 397 74 ARG N N 120.28 0.2 1 269 398 75 ASP H H 8.59 0.02 1 270 398 75 ASP HA H 4.46 0.02 1 271 398 75 ASP C C 174.89 0.2 1 272 398 75 ASP CA C 54.9 0.2 1 273 398 75 ASP CB C 39.9 0.2 1 274 398 75 ASP N N 117.42 0.2 1 275 399 76 SER H H 7.61 0.02 1 276 399 76 SER HA H 4.55 0.02 1 277 399 76 SER CA C 56.94 0.2 1 278 399 76 SER CB C 65.11 0.2 1 279 399 76 SER N N 112.48 0.2 1 280 400 77 ASN HA H 4.66 0.02 1 281 400 77 ASN C C 174.95 0.2 1 282 400 77 ASN CA C 53.27 0.2 1 283 400 77 ASN CB C 39.14 0.2 1 284 401 78 GLU H H 7.91 0.02 1 285 401 78 GLU HA H 4.22 0.02 1 286 401 78 GLU C C 174.55 0.2 1 287 401 78 GLU CA C 55.46 0.2 1 288 401 78 GLU CB C 31.4 0.2 1 289 401 78 GLU N N 120.18 0.2 1 290 402 79 LEU H H 7.94 0.02 1 291 402 79 LEU HA H 4.24 0.02 1 292 402 79 LEU C C 177.23 0.2 1 293 402 79 LEU CA C 54.08 0.2 1 294 402 79 LEU CB C 42.69 0.2 1 295 402 79 LEU N N 120.17 0.2 1 296 403 80 VAL H H 8.91 0.02 1 297 403 80 VAL HA H 4.48 0.02 1 298 403 80 VAL CA C 58.66 0.2 1 299 403 80 VAL CB C 34.14 0.2 1 300 403 80 VAL N N 122.77 0.2 1 301 404 81 PRO HA H 4.6 0.02 1 302 404 81 PRO C C 177.2 0.2 1 303 404 81 PRO CA C 63.26 0.2 1 304 404 81 PRO CB C 32.32 0.2 1 305 405 82 LEU H H 9.07 0.02 1 306 405 82 LEU HA H 4.37 0.02 1 307 405 82 LEU C C 174.19 0.2 1 308 405 82 LEU CA C 54.05 0.2 1 309 405 82 LEU CB C 44.6 0.2 1 310 405 82 LEU N N 126.66 0.2 1 311 406 83 SER H H 7.75 0.02 1 312 406 83 SER HA H 3.29 0.02 1 313 406 83 SER C C 173.62 0.2 1 314 406 83 SER CA C 55.89 0.2 1 315 406 83 SER CB C 66.87 0.2 1 316 406 83 SER N N 120.03 0.2 1 317 407 84 GLU H H 8.93 0.02 1 318 407 84 GLU CA C 59.6 0.2 1 319 407 84 GLU CB C 29.3 0.2 1 320 407 84 GLU N N 119.97 0.2 1 321 408 85 ASP HA H 4.57 0.02 1 322 408 85 ASP C C 177.17 0.2 1 323 408 85 ASP CA C 56.3 0.2 1 324 408 85 ASP CB C 41.39 0.2 1 325 409 86 SER H H 7.68 0.02 1 326 409 86 SER HA H 4.73 0.02 1 327 409 86 SER C C 175.41 0.2 1 328 409 86 SER CA C 57.83 0.2 1 329 409 86 SER CB C 65 0.2 1 330 409 86 SER N N 112.73 0.2 1 331 410 87 MET H H 7.57 0.02 1 332 410 87 MET HA H 4.1 0.02 1 333 410 87 MET C C 177.3 0.2 1 334 410 87 MET CA C 57.89 0.2 1 335 410 87 MET CB C 35.43 0.2 1 336 410 87 MET N N 123.81 0.2 1 337 411 88 LYS H H 8.38 0.02 1 338 411 88 LYS HA H 4.19 0.02 1 339 411 88 LYS C C 179.63 0.2 1 340 411 88 LYS CA C 60.1 0.2 1 341 411 88 LYS CB C 31.66 0.2 1 342 411 88 LYS N N 116.46 0.2 1 343 412 89 ASP H H 7.72 0.02 1 344 412 89 ASP HA H 4.42 0.02 1 345 412 89 ASP C C 178.55 0.2 1 346 412 89 ASP CA C 57.3 0.2 1 347 412 89 ASP CB C 41.08 0.2 1 348 412 89 ASP N N 121.59 0.2 1 349 413 90 ALA H H 7.91 0.02 1 350 413 90 ALA HA H 3.46 0.02 1 351 413 90 ALA C C 180.51 0.2 1 352 413 90 ALA CA C 55.86 0.2 1 353 413 90 ALA CB C 16.8 0.2 1 354 413 90 ALA N N 122.75 0.2 1 355 414 91 TRP H H 8.27 0.02 1 356 414 91 TRP HA H 4.61 0.02 1 357 414 91 TRP C C 179.55 0.2 1 358 414 91 TRP CA C 60.12 0.2 1 359 414 91 TRP CB C 29.79 0.2 1 360 414 91 TRP N N 115.61 0.2 1 361 415 92 GLY H H 7.97 0.02 1 362 415 92 GLY C C 175.09 0.2 1 363 415 92 GLY CA C 46.23 0.2 1 364 415 92 GLY N N 106.11 0.2 1 365 416 93 GLN H H 7.87 0.02 1 366 416 93 GLN HA H 4.62 0.02 1 367 416 93 GLN C C 176.36 0.2 1 368 416 93 GLN CA C 54.13 0.2 1 369 416 93 GLN CB C 28.22 0.2 1 370 416 93 GLN N N 117.09 0.2 1 371 417 94 VAL H H 7.2 0.02 1 372 417 94 VAL HA H 4 0.02 1 373 417 94 VAL CA C 63.98 0.2 1 374 417 94 VAL CB C 32.55 0.2 1 375 417 94 VAL N N 119.32 0.2 1 376 419 96 ASN HA H 4.15 0.02 1 377 419 96 ASN C C 174.44 0.2 1 378 419 96 ASN CA C 54.18 0.2 1 379 419 96 ASN CB C 37.5 0.2 1 380 420 97 TYR H H 8.2 0.02 1 381 420 97 TYR HA H 3.13 0.02 1 382 420 97 TYR C C 172.76 0.2 1 383 420 97 TYR CA C 60.28 0.2 1 384 420 97 TYR CB C 35.3 0.2 1 385 420 97 TYR N N 108.4 0.2 1 386 421 98 CYS H H 7.51 0.02 1 387 421 98 CYS HA H 5.58 0.02 1 388 421 98 CYS C C 174.54 0.2 1 389 421 98 CYS CA C 56.65 0.2 1 390 421 98 CYS CB C 29.38 0.2 1 391 421 98 CYS N N 118.62 0.2 1 392 422 99 LEU H H 9.05 0.02 1 393 422 99 LEU HA H 4.75 0.02 1 394 422 99 LEU C C 174.06 0.2 1 395 422 99 LEU CA C 53.61 0.2 1 396 422 99 LEU CB C 43.1 0.2 1 397 422 99 LEU N N 134.41 0.2 1 398 423 100 THR H H 8.4 0.02 1 399 423 100 THR HA H 5.03 0.02 1 400 423 100 THR C C 172.51 0.2 1 401 423 100 THR CA C 62.12 0.2 1 402 423 100 THR CB C 69.3 0.2 1 403 423 100 THR N N 124.81 0.2 1 404 424 101 LEU H H 8.94 0.02 1 405 424 101 LEU HA H 5.38 0.02 1 406 424 101 LEU C C 174.58 0.2 1 407 424 101 LEU CA C 52.41 0.2 1 408 424 101 LEU CB C 47.4 0.2 1 409 424 101 LEU N N 123.57 0.2 1 410 425 102 TRP H H 9.08 0.02 1 411 425 102 TRP HA H 4.97 0.02 1 412 425 102 TRP C C 174.97 0.2 1 413 425 102 TRP CA C 58.48 0.2 1 414 425 102 TRP CB C 32.9 0.2 1 415 425 102 TRP N N 121.75 0.2 1 416 426 103 CYS H H 8.65 0.02 1 417 426 103 CYS HA H 5.34 0.02 1 418 426 103 CYS C C 173.41 0.2 1 419 426 103 CYS CA C 56.8 0.2 1 420 426 103 CYS CB C 28.96 0.2 1 421 426 103 CYS N N 122.51 0.2 1 422 427 104 GLU H H 8.53 0.02 1 423 427 104 GLU HA H 4.43 0.02 1 424 427 104 GLU C C 174.62 0.2 1 425 427 104 GLU CA C 57.37 0.2 1 426 427 104 GLU CB C 31.86 0.2 1 427 427 104 GLU N N 129.91 0.2 1 428 428 105 ASN H H 8.32 0.02 1 429 428 105 ASN HA H 4.71 0.02 1 430 428 105 ASN CA C 54.92 0.2 1 431 428 105 ASN CB C 41.13 0.2 1 432 428 105 ASN N N 124.86 0.2 1 stop_ save_