data_26908 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N chemical shift assignments of portions of Thermotoga maritima flagellar motor proteins FliG (N-terminal domain; FliGN) and FliF (C-terminal domain; FliFC) in complex ; _BMRB_accession_number 26908 _BMRB_flat_file_name bmr26908.str _Entry_type original _Submission_date 2016-09-23 _Accession_date 2016-09-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone 1H, 13C, 15N chemical shift assignments of portions of Thermotoga maritima flagellar motor proteins FliG (N-terminal domain; FliGN) and FliF (C-terminal domain; FliFC) in complex, produced from cleaved fusion protein. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Levenson Robert . . 2 Dahlquist Frederick W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 131 "13C chemical shifts" 267 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18309 'FliGn homodimer' 18310 'Labeled FliGn bound to unlabeled FliFc peptide' stop_ _Original_release_date 2016-09-26 save_ ############################# # Citation for this entry # ############################# save_FliF-FliG _Saveframe_category entry_citation _Citation_full . _Citation_title ; Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar Motor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28089452 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lynch Michael J. . 2 Levenson Robert W. . 3 Kim Eun A. . 4 Sircar Ria J. . 5 Blair David F. . 6 Dahlquist Frederick W. . 7 Crane Brian R. . stop_ _Journal_abbreviation Structure _Journal_volume 25 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 317 _Page_last 328 _Year 2017 _Details . loop_ _Keyword NMR crystallography flagellum stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FliGn-FliFc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FliGn $FliGn FliFc $FliFc stop_ _System_molecular_weight 18620 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Anchors and positions bacterial flagellar motor C-ring relative to MS-ring' stop_ _Database_query_date . _Details ; 15N,13C uniformly labeled FliFc and FliGn bound in complex, produced as fusion protein in one polypeptide then cut by TEV to split. ; save_ ######################## # Monomeric polymers # ######################## save_FliGn _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FliGn _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'flagellar assembly' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GHMPEKKIDGRRKAAVLLVA LGPEKAAQVMKHLDEETVEQ LVVEIANIGRVTPEEKKQVL EEFLSLAKAKEMISEGGIEY AKKVLEKAFGPERARKIIER LTSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 HIS 3 1 MET 4 2 PRO 5 3 GLU 6 4 LYS 7 5 LYS 8 6 ILE 9 7 ASP 10 8 GLY 11 9 ARG 12 10 ARG 13 11 LYS 14 12 ALA 15 13 ALA 16 14 VAL 17 15 LEU 18 16 LEU 19 17 VAL 20 18 ALA 21 19 LEU 22 20 GLY 23 21 PRO 24 22 GLU 25 23 LYS 26 24 ALA 27 25 ALA 28 26 GLN 29 27 VAL 30 28 MET 31 29 LYS 32 30 HIS 33 31 LEU 34 32 ASP 35 33 GLU 36 34 GLU 37 35 THR 38 36 VAL 39 37 GLU 40 38 GLN 41 39 LEU 42 40 VAL 43 41 VAL 44 42 GLU 45 43 ILE 46 44 ALA 47 45 ASN 48 46 ILE 49 47 GLY 50 48 ARG 51 49 VAL 52 50 THR 53 51 PRO 54 52 GLU 55 53 GLU 56 54 LYS 57 55 LYS 58 56 GLN 59 57 VAL 60 58 LEU 61 59 GLU 62 60 GLU 63 61 PHE 64 62 LEU 65 63 SER 66 64 LEU 67 65 ALA 68 66 LYS 69 67 ALA 70 68 LYS 71 69 GLU 72 70 MET 73 71 ILE 74 72 SER 75 73 GLU 76 74 GLY 77 75 GLY 78 76 ILE 79 77 GLU 80 78 TYR 81 79 ALA 82 80 LYS 83 81 LYS 84 82 VAL 85 83 LEU 86 84 GLU 87 85 LYS 88 86 ALA 89 87 PHE 90 88 GLY 91 89 PRO 92 90 GLU 93 91 ARG 94 92 ALA 95 93 ARG 96 94 LYS 97 95 ILE 98 96 ILE 99 97 GLU 100 98 ARG 101 99 LEU 102 100 THR 103 101 SER 104 102 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 BMRB 18309 FliGn . . . . . GB AAD35312 'flagellar motor switch protein FliG [Thermotoga maritima MSB8]' . . . . . GB ABQ46724 'flagellar motor switch protein FliG [Thermotoga petrophila RKU-1]' . . . . . GB ACB09081 'flagellar motor switch protein FliG [Thermotoga sp. RQ2]' . . . . . GB ADA66942 'flagellar motor switch protein FliG [Thermotoga naphthophila RKU-10]' . . . . . GB AGL49144 'Flagellar motor switch protein FliG [Thermotoga maritima MSB8]' . . . . . REF NP_228035 'flagellar motor switch protein G [Thermotoga maritima MSB8]' . . . . . REF WP_004082903 'flagellar motor switch protein FliG [Thermotoga maritima]' . . . . . REF WP_008193872 'MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]' . . . . . REF WP_011943308 'MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]' . . . . . REF WP_012310706 'MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]' . . . . . SP Q9WY63 'RecName: Full=Flagellar motor switch protein FliG' . . . . . stop_ save_ save_FliFc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FliFc _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'flagellar assembly' stop_ _Details . _Residue_count 58 _Mol_residue_sequence ; MVSPEEKELLELLEELENIF SRSPSDIAEIVRLWFFERGL EDHHHHHHHHASENLYFQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 SER 4 PRO 5 GLU 6 GLU 7 LYS 8 GLU 9 LEU 10 LEU 11 GLU 12 LEU 13 LEU 14 GLU 15 GLU 16 LEU 17 GLU 18 ASN 19 ILE 20 PHE 21 SER 22 ARG 23 SER 24 PRO 25 SER 26 ASP 27 ILE 28 ALA 29 GLU 30 ILE 31 VAL 32 ARG 33 LEU 34 TRP 35 PHE 36 PHE 37 GLU 38 ARG 39 GLY 40 LEU 41 GLU 42 ASP 43 HIS 44 HIS 45 HIS 46 HIS 47 HIS 48 HIS 49 HIS 50 HIS 51 ALA 52 SER 53 GLU 54 ASN 55 LEU 56 TYR 57 PHE 58 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAD35313 'flagellar M-ring protein [Thermotoga maritima MSB8]' . . . . . GB ABQ46723 'flagellar M-ring protein FliF [Thermotoga petrophila RKU-1]' . . . . . GB ACB09080 'flagellar M-ring protein FliF [Thermotoga sp. RQ2]' . . . . . GB ADA66943 'flagellar M-ring protein FliF [Thermotoga naphthophila RKU-10]' . . . . . GB AGL49145 'Flagellar M-ring protein FliF [Thermotoga maritima MSB8]' . . . . . REF NP_228036 'flagellar M-ring protein [Thermotoga maritima MSB8]' . . . . . REF WP_004082905 'flagellar M-ring protein FliF [Thermotoga maritima]' . . . . . REF WP_008193870 'flagellar M-ring protein FliF [Thermotoga sp. EMP]' . . . . . REF WP_011943307 'MULTISPECIES: flagellar M-ring protein FliF [Thermotoga]' . . . . . REF WP_012310705 'flagellar M-ring protein FliF [Thermotoga sp. RQ2]' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FliGn 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima $FliFc 'Thermotoga maritima' 2336 Bacteria . Thermotoga maritima 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 _Details $FliGn 'recombinant technology' . Escherichia coli . pJY5 'complex expressed fusion protein, polypeptide split by TEV protease during purification' $FliFc 'recombinant technology' . Escherichia coli . pJY5 'complex expressed fusion protein, polypeptide split by TEV protease during purification' 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 $FliGn 400 uM '[U-13C; U-15N; U-2H]' $FliFc 400 uM '[U-13C; U-15N; U-2H]' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version . loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 6.5 . pH pressure 1 . atm temperature 313 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $ANSIG $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FliGn _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 4 PRO CA C 60.23 0.1 1 2 2 4 PRO CB C 28.59 0.1 1 3 3 5 GLU H H 8.463 0.02 1 4 3 5 GLU CA C 53.65 0.1 1 5 3 5 GLU CB C 27.06 0.1 1 6 3 5 GLU N N 121.85 0.1 1 7 4 6 LYS H H 8.256 0.02 1 8 4 6 LYS CA C 52.96 0.1 1 9 4 6 LYS CB C 29.57 0.1 1 10 4 6 LYS N N 123.16 0.1 1 11 5 7 LYS H H 8.284 0.02 1 12 5 7 LYS CA C 52.96 0.1 1 13 5 7 LYS CB C 29.52 0.1 1 14 5 7 LYS N N 124.35 0.1 1 15 6 8 ILE H H 8.154 0.02 1 16 6 8 ILE CA C 57.87 0.1 1 17 6 8 ILE CB C 35.72 0.1 1 18 6 8 ILE N N 123.86 0.1 1 19 7 9 ASP H H 8.339 0.02 1 20 7 9 ASP CA C 51.18 0.1 1 21 7 9 ASP CB C 39.65 0.1 1 22 7 9 ASP N N 126.69 0.1 1 23 8 10 GLY H H 8.761 0.02 1 24 8 10 GLY CA C 44.84 0.1 1 25 8 10 GLY N N 111.1 0.1 1 26 9 11 ARG H H 7.899 0.02 1 27 9 11 ARG CA C 56.75 0.1 1 28 9 11 ARG CB C 26.14 0.1 1 29 9 11 ARG N N 118.95 0.1 1 30 10 12 ARG H H 7.223 0.02 1 31 10 12 ARG CA C 55.79 0.1 1 32 10 12 ARG CB C 25.67 0.1 1 33 10 12 ARG N N 119.47 0.1 1 34 11 13 LYS H H 7.923 0.02 1 35 11 13 LYS CA C 57.5 0.1 1 36 11 13 LYS CB C 27.43 0.1 1 37 11 13 LYS N N 118.36 0.1 1 38 12 14 ALA H H 7.638 0.02 1 39 12 14 ALA CA C 52.34 0.1 1 40 12 14 ALA CB C 16.55 0.1 1 41 12 14 ALA N N 118.01 0.1 1 42 13 15 ALA H H 7.794 0.02 1 43 13 15 ALA CA C 52.51 0.1 1 44 13 15 ALA CB C 15.76 0.1 1 45 13 15 ALA N N 119.24 0.1 1 46 14 16 VAL H H 8.815 0.02 1 47 14 16 VAL CA C 64 0.1 1 48 14 16 VAL CB C 27.99 0.1 1 49 14 16 VAL N N 118.59 0.1 1 50 15 17 LEU H H 8.226 0.02 1 51 15 17 LEU CA C 54.86 0.1 1 52 15 17 LEU CB C 38.61 0.1 1 53 15 17 LEU N N 120.78 0.1 1 54 16 18 LEU H H 7.949 0.02 1 55 16 18 LEU CA C 55.15 0.1 1 56 16 18 LEU CB C 36.84 0.1 1 57 16 18 LEU N N 117.19 0.1 1 58 17 19 VAL H H 8.68 0.02 1 59 17 19 VAL CA C 63.26 0.1 1 60 17 19 VAL CB C 27.94 0.1 1 61 17 19 VAL N N 122.75 0.1 1 62 18 20 ALA H H 8.277 0.02 1 63 18 20 ALA CA C 51.48 0.1 1 64 18 20 ALA CB C 13.68 0.1 1 65 18 20 ALA N N 123.93 0.1 1 66 19 21 LEU H H 7.529 0.02 1 67 19 21 LEU CA C 53.61 0.1 1 68 19 21 LEU CB C 44.3 0.1 1 69 19 21 LEU N N 116.57 0.1 1 70 20 22 GLY H H 7.233 0.02 1 71 20 22 GLY CA C 40.86 0.1 1 72 20 22 GLY N N 106.98 0.1 1 73 21 23 PRO CA C 63.1 0.1 1 74 22 24 GLU H H 8.309 0.02 1 75 22 24 GLU CA C 56.99 0.1 1 76 22 24 GLU CB C 25.77 0.1 1 77 22 24 GLU N N 120.2 0.1 1 78 23 25 LYS H H 8.378 0.02 1 79 23 25 LYS CA C 56.51 0.1 1 80 23 25 LYS CB C 29.61 0.1 1 81 23 25 LYS N N 120.62 0.1 1 82 24 26 ALA H H 8.986 0.02 1 83 24 26 ALA CA C 52.71 0.1 1 84 24 26 ALA CB C 15.33 0.1 1 85 24 26 ALA N N 121.3 0.1 1 86 25 27 ALA H H 7.74 0.02 1 87 25 27 ALA CA C 52.3 0.1 1 88 25 27 ALA CB C 14.72 0.1 1 89 25 27 ALA N N 118.96 0.1 1 90 26 28 GLN H H 7.354 0.02 1 91 26 28 GLN CA C 55.34 0.1 1 92 26 28 GLN CB C 25.23 0.1 1 93 26 28 GLN N N 115.96 0.1 1 94 27 29 VAL H H 7.781 0.02 1 95 27 29 VAL CA C 63.83 0.1 1 96 27 29 VAL CB C 28.38 0.1 1 97 27 29 VAL N N 119.25 0.1 1 98 28 30 MET H H 8.428 0.02 1 99 28 30 MET CA C 56.63 0.1 1 100 28 30 MET CB C 29.92 0.1 1 101 28 30 MET N N 116.25 0.1 1 102 29 31 LYS H H 7.095 0.02 1 103 29 31 LYS CA C 55.12 0.1 1 104 29 31 LYS CB C 28.56 0.1 1 105 29 31 LYS N N 117.06 0.1 1 106 30 32 HIS H H 7.497 0.02 1 107 30 32 HIS CA C 53.49 0.1 1 108 30 32 HIS CB C 27.19 0.1 1 109 30 32 HIS N N 115.97 0.1 1 110 31 33 LEU H H 7.412 0.02 1 111 31 33 LEU CA C 49.93 0.1 1 112 31 33 LEU CB C 41.34 0.1 1 113 31 33 LEU N N 120.35 0.1 1 114 32 34 ASP H H 8.13 0.02 1 115 32 34 ASP CA C 50.32 0.1 1 116 32 34 ASP CB C 38.7 0.1 1 117 32 34 ASP N N 118.74 0.1 1 118 33 35 GLU H H 8.751 0.02 1 119 33 35 GLU CA C 57.32 0.1 1 120 33 35 GLU CB C 26.27 0.1 1 121 33 35 GLU N N 120.58 0.1 1 122 34 36 GLU H H 8.541 0.02 1 123 34 36 GLU CA C 56.76 0.1 1 124 34 36 GLU CB C 25.92 0.1 1 125 34 36 GLU N N 119.55 0.1 1 126 35 37 THR H H 7.87 0.02 1 127 35 37 THR CA C 63.73 0.1 1 128 35 37 THR N N 119.28 0.1 1 129 36 38 VAL H H 8.174 0.02 1 130 36 38 VAL CA C 65.16 0.1 1 131 36 38 VAL CB C 28.35 0.1 1 132 36 38 VAL N N 121.81 0.1 1 133 37 39 GLU H H 8.076 0.02 1 134 37 39 GLU CA C 56.67 0.1 1 135 37 39 GLU CB C 25.95 0.1 1 136 37 39 GLU N N 117.45 0.1 1 137 38 40 GLN H H 7.386 0.02 1 138 38 40 GLN CA C 55.5 0.1 1 139 38 40 GLN CB C 26.22 0.1 1 140 38 40 GLN N N 115.65 0.1 1 141 39 41 LEU H H 8.599 0.02 1 142 39 41 LEU CA C 55.11 0.1 1 143 39 41 LEU CB C 38.83 0.1 1 144 39 41 LEU N N 122.88 0.1 1 145 40 42 VAL H H 8.702 0.02 1 146 40 42 VAL CA C 63.99 0.1 1 147 40 42 VAL CB C 28.18 0.1 1 148 40 42 VAL N N 118.48 0.1 1 149 41 43 VAL H H 7.04 0.02 1 150 41 43 VAL CA C 63.19 0.1 1 151 41 43 VAL CB C 28.46 0.1 1 152 41 43 VAL N N 120.92 0.1 1 153 42 44 GLU H H 7.849 0.02 1 154 42 44 GLU CA C 55.99 0.1 1 155 42 44 GLU CB C 25.88 0.1 1 156 42 44 GLU N N 121.19 0.1 1 157 43 45 ILE H H 8.668 0.02 1 158 43 45 ILE CA C 62.9 0.1 1 159 43 45 ILE CB C 35.28 0.1 1 160 43 45 ILE N N 118.63 0.1 1 161 44 46 ALA H H 7.818 0.02 1 162 44 46 ALA CA C 51.65 0.1 1 163 44 46 ALA CB C 14.77 0.1 1 164 44 46 ALA N N 122.37 0.1 1 165 45 47 ASN H H 7.518 0.02 1 166 45 47 ASN CA C 49.78 0.1 1 167 45 47 ASN CB C 36.49 0.1 1 168 45 47 ASN N N 114.87 0.1 1 169 46 48 ILE H H 7.229 0.02 1 170 46 48 ILE CA C 60.04 0.1 1 171 46 48 ILE CB C 35.74 0.1 1 172 46 48 ILE N N 122.41 0.1 1 173 47 49 GLY H H 8.276 0.02 1 174 47 49 GLY CA C 42.7 0.1 1 175 47 49 GLY N N 110.28 0.1 1 176 48 50 ARG H H 8.217 0.02 1 177 48 50 ARG CA C 53.11 0.1 1 178 48 50 ARG CB C 27.23 0.1 1 179 48 50 ARG N N 124.3 0.1 1 180 49 51 VAL H H 8.368 0.02 1 181 49 51 VAL CA C 58.18 0.1 1 182 49 51 VAL CB C 29.77 0.1 1 183 49 51 VAL N N 127.16 0.1 1 184 50 52 THR H H 8.989 0.02 1 185 50 52 THR CA C 57.41 0.1 1 186 50 52 THR CB C 65.78 0.1 1 187 50 52 THR N N 121.13 0.1 1 188 51 53 PRO CA C 62.54 0.1 1 189 51 53 PRO CB C 28.23 0.1 1 190 52 54 GLU H H 8.651 0.02 1 191 52 54 GLU CA C 57.44 0.1 1 192 52 54 GLU CB C 25.45 0.1 1 193 52 54 GLU N N 116.69 0.1 1 194 53 55 GLU H H 7.82 0.02 1 195 53 55 GLU CA C 56.45 0.1 1 196 53 55 GLU CB C 26.14 0.1 1 197 53 55 GLU N N 122.78 0.1 1 198 54 56 LYS H H 8.05 0.02 1 199 54 56 LYS CA C 57.76 0.1 1 200 54 56 LYS CB C 29.52 0.1 1 201 54 56 LYS N N 118.77 0.1 1 202 55 57 LYS H H 8.377 0.02 1 203 55 57 LYS CA C 57.54 0.1 1 204 55 57 LYS CB C 29.2 0.1 1 205 55 57 LYS N N 117.97 0.1 1 206 56 58 GLN H H 7.827 0.02 1 207 56 58 GLN CA C 56.27 0.1 1 208 56 58 GLN CB C 25.17 0.1 1 209 56 58 GLN N N 117.86 0.1 1 210 57 59 VAL H H 8.306 0.02 1 211 57 59 VAL CA C 64.32 0.1 1 212 57 59 VAL CB C 28.51 0.1 1 213 57 59 VAL N N 120.92 0.1 1 214 58 60 LEU H H 8.592 0.02 1 215 58 60 LEU CA C 55.66 0.1 1 216 58 60 LEU CB C 38.44 0.1 1 217 58 60 LEU N N 120.29 0.1 1 218 59 61 GLU H H 8.908 0.02 1 219 59 61 GLU CA C 57.4 0.1 1 220 59 61 GLU CB C 26.19 0.1 1 221 59 61 GLU N N 118.63 0.1 1 222 60 62 GLU H H 7.989 0.02 1 223 60 62 GLU CA C 57.26 0.1 1 224 60 62 GLU CB C 26.04 0.1 1 225 60 62 GLU N N 121.48 0.1 1 226 61 63 PHE H H 9.319 0.02 1 227 61 63 PHE CA C 59.48 0.1 1 228 61 63 PHE CB C 36.18 0.1 1 229 61 63 PHE N N 119.84 0.1 1 230 62 64 LEU H H 8.822 0.02 1 231 62 64 LEU CA C 54.93 0.1 1 232 62 64 LEU CB C 37.8 0.1 1 233 62 64 LEU N N 118.87 0.1 1 234 63 65 SER H H 7.854 0.02 1 235 63 65 SER CA C 59.49 0.1 1 236 63 65 SER CB C 60.64 0.1 1 237 63 65 SER N N 116.25 0.1 1 238 64 66 LEU H H 7.796 0.02 1 239 64 66 LEU CA C 54.93 0.1 1 240 64 66 LEU CB C 38.57 0.1 1 241 64 66 LEU N N 122.29 0.1 1 242 65 67 ALA H H 8.72 0.02 1 243 65 67 ALA CA C 52.05 0.1 1 244 65 67 ALA CB C 14.09 0.1 1 245 65 67 ALA N N 121.69 0.1 1 246 66 68 LYS H H 8.173 0.02 1 247 66 68 LYS CA C 55.48 0.1 1 248 66 68 LYS CB C 27.9 0.1 1 249 66 68 LYS N N 118.98 0.1 1 250 67 69 ALA H H 7.847 0.02 1 251 67 69 ALA CA C 52.42 0.1 1 252 67 69 ALA CB C 15.31 0.1 1 253 67 69 ALA N N 121.79 0.1 1 254 68 70 LYS H H 8.31 0.02 1 255 68 70 LYS CA C 56.75 0.1 1 256 68 70 LYS CB C 28.39 0.1 1 257 68 70 LYS N N 118.22 0.1 1 258 69 71 GLU H H 7.808 0.02 1 259 69 71 GLU CA C 56.4 0.1 1 260 69 71 GLU CB C 26.09 0.1 1 261 69 71 GLU N N 120.83 0.1 1 262 70 72 MET H H 8.117 0.02 1 263 70 72 MET CA C 56.14 0.1 1 264 70 72 MET CB C 30.16 0.1 1 265 70 72 MET N N 118.62 0.1 1 266 71 73 ILE H H 8.434 0.02 1 267 71 73 ILE CA C 62.84 0.1 1 268 71 73 ILE CB C 34.59 0.1 1 269 71 73 ILE N N 120.96 0.1 1 270 72 74 SER H H 8.064 0.02 1 271 72 74 SER CA C 58.67 0.1 1 272 72 74 SER CB C 60.3 0.1 1 273 72 74 SER N N 116.91 0.1 1 274 73 75 GLU H H 7.727 0.02 1 275 73 75 GLU CA C 54.23 0.1 1 276 73 75 GLU CB C 26.85 0.1 1 277 73 75 GLU N N 119.32 0.1 1 278 74 76 GLY H H 8.102 0.02 1 279 74 76 GLY CA C 42.37 0.1 1 280 74 76 GLY N N 105.05 0.1 1 281 75 77 GLY H H 8.403 0.02 1 282 75 77 GLY CA C 42.65 0.1 1 283 75 77 GLY N N 112.23 0.1 1 284 76 78 ILE H H 8.248 0.02 1 285 76 78 ILE CA C 62.06 0.1 1 286 76 78 ILE CB C 34.49 0.1 1 287 76 78 ILE N N 120.58 0.1 1 288 77 79 GLU H H 8.547 0.02 1 289 77 79 GLU CA C 56.7 0.1 1 290 77 79 GLU CB C 25.27 0.1 1 291 77 79 GLU N N 119.84 0.1 1 292 78 80 TYR H H 7.643 0.02 1 293 78 80 TYR CA C 57.25 0.1 1 294 78 80 TYR CB C 34.95 0.1 1 295 78 80 TYR N N 120.4 0.1 1 296 79 81 ALA H H 8.027 0.02 1 297 79 81 ALA CA C 51.85 0.1 1 298 79 81 ALA CB C 15.99 0.1 1 299 79 81 ALA N N 121.33 0.1 1 300 80 82 LYS H H 8.539 0.02 1 301 80 82 LYS CA C 57.77 0.1 1 302 80 82 LYS CB C 28.99 0.1 1 303 80 82 LYS N N 117.24 0.1 1 304 81 83 LYS H H 7.358 0.02 1 305 81 83 LYS CA C 56.28 0.1 1 306 81 83 LYS CB C 28.61 0.1 1 307 81 83 LYS N N 118 0.1 1 308 82 84 VAL H H 7.678 0.02 1 309 82 84 VAL CA C 63.2 0.1 1 310 82 84 VAL CB C 28.52 0.1 1 311 82 84 VAL N N 119.81 0.1 1 312 83 85 LEU H H 8.468 0.02 1 313 83 85 LEU CA C 54.5 0.1 1 314 83 85 LEU CB C 39.01 0.1 1 315 83 85 LEU N N 119.52 0.1 1 316 84 86 GLU H H 8.728 0.02 1 317 84 86 GLU CA C 56.69 0.1 1 318 84 86 GLU CB C 25.82 0.1 1 319 84 86 GLU N N 120.94 0.1 1 320 85 87 LYS H H 7.392 0.02 1 321 85 87 LYS CA C 55.8 0.1 1 322 85 87 LYS CB C 28.64 0.1 1 323 85 87 LYS N N 119.65 0.1 1 324 86 88 ALA H H 7.263 0.02 1 325 86 88 ALA CA C 51.23 0.1 1 326 86 88 ALA CB C 15.47 0.1 1 327 86 88 ALA N N 118.91 0.1 1 328 87 89 PHE H H 8.449 0.02 1 329 87 89 PHE CA C 54.02 0.1 1 330 87 89 PHE CB C 38.7 0.1 1 331 87 89 PHE N N 112.62 0.1 1 332 88 90 GLY H H 7.866 0.02 1 333 88 90 GLY CA C 41.38 0.1 1 334 88 90 GLY N N 111.01 0.1 1 335 89 91 PRO CA C 63.19 0.1 1 336 89 91 PRO CB C 28.62 0.1 1 337 90 92 GLU H H 8.262 0.02 1 338 90 92 GLU CA C 56.92 0.1 1 339 90 92 GLU CB C 25.68 0.1 1 340 90 92 GLU N N 119.6 0.1 1 341 91 93 ARG H H 8.856 0.02 1 342 91 93 ARG CA C 55.98 0.1 1 343 91 93 ARG CB C 26.07 0.1 1 344 91 93 ARG N N 120.21 0.1 1 345 92 94 ALA H H 8.058 0.02 1 346 92 94 ALA CA C 52.95 0.1 1 347 92 94 ALA CB C 16.12 0.1 1 348 92 94 ALA N N 118.77 0.1 1 349 93 95 ARG H H 7.645 0.02 1 350 93 95 ARG CA C 56.63 0.1 1 351 93 95 ARG CB C 26.17 0.1 1 352 93 95 ARG N N 116.09 0.1 1 353 94 96 LYS H H 7.468 0.02 1 354 94 96 LYS CA C 55.74 0.1 1 355 94 96 LYS CB C 28.66 0.1 1 356 94 96 LYS N N 118.86 0.1 1 357 95 97 ILE H H 8.184 0.02 1 358 95 97 ILE CA C 62.56 0.1 1 359 95 97 ILE CB C 34.58 0.1 1 360 95 97 ILE N N 120.34 0.1 1 361 96 98 ILE H H 8.058 0.02 1 362 96 98 ILE CA C 61.11 0.1 1 363 96 98 ILE CB C 33.1 0.1 1 364 96 98 ILE N N 118.96 0.1 1 365 97 99 GLU H H 8.202 0.02 1 366 97 99 GLU CA C 56.66 0.1 1 367 97 99 GLU CB C 26.12 0.1 1 368 97 99 GLU N N 121.4 0.1 1 369 98 100 ARG H H 7.747 0.02 1 370 98 100 ARG CA C 55.17 0.1 1 371 98 100 ARG CB C 26.66 0.1 1 372 98 100 ARG N N 118.46 0.1 1 373 99 101 LEU H H 8.028 0.02 1 374 99 101 LEU CA C 53.3 0.1 1 375 99 101 LEU CB C 39.51 0.1 1 376 99 101 LEU N N 116.89 0.1 1 377 100 102 THR H H 7.662 0.02 1 378 100 102 THR CA C 58.91 0.1 1 379 100 102 THR CB C 67.3 0.1 1 380 100 102 THR N N 128.28 0.1 1 381 101 103 SER H H 7.665 0.02 1 382 101 103 SER CA C 55.91 0.1 1 383 101 103 SER CB C 61.4 0.1 1 384 101 103 SER N N 118.06 0.1 1 385 102 104 SER H H 7.881 0.02 1 386 102 104 SER CA C 57.17 0.1 1 387 102 104 SER CB C 62.16 0.1 1 388 102 104 SER N N 123.37 0.1 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $ANSIG $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FliFc _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 VAL CA C 58.99 0.1 1 2 2 2 VAL CB C 29.55 0.1 1 3 3 3 SER H H 8.651 0.02 1 4 3 3 SER CA C 53.81 0.1 1 5 3 3 SER CB C 60.66 0.1 1 6 3 3 SER N N 122.69 0.1 1 7 4 4 PRO CA C 62.03 0.1 1 8 4 4 PRO CB C 28.46 0.1 1 9 5 5 GLU H H 8.65 0.02 1 10 5 5 GLU CA C 55.71 0.1 1 11 5 5 GLU CB C 26 0.1 1 12 5 5 GLU N N 118.33 0.1 1 13 6 6 GLU H H 7.961 0.02 1 14 6 6 GLU CA C 55.19 0.1 1 15 6 6 GLU CB C 26.56 0.1 1 16 6 6 GLU N N 121.33 0.1 1 17 7 7 LYS H H 8.183 0.02 1 18 7 7 LYS CA C 56.28 0.1 1 19 7 7 LYS CB C 29.14 0.1 1 20 7 7 LYS N N 121.58 0.1 1 21 8 8 GLU H H 8.153 0.02 1 22 8 8 GLU CB C 26.39 0.1 1 23 8 8 GLU N N 118.5 0.1 1 24 11 11 GLU CA C 55.7 0.1 1 25 11 11 GLU CB C 26.34 0.1 1 26 12 12 LEU H H 7.815 0.02 1 27 12 12 LEU CA C 54.78 0.1 1 28 12 12 LEU CB C 38.22 0.1 1 29 12 12 LEU N N 119.58 0.1 1 30 13 13 LEU H H 8.041 0.02 1 31 13 13 LEU CA C 55.71 0.1 1 32 13 13 LEU CB C 37.85 0.1 1 33 13 13 LEU N N 118.74 0.1 1 34 14 14 GLU H H 7.961 0.02 1 35 14 14 GLU CA C 56.56 0.1 1 36 14 14 GLU CB C 25.94 0.1 1 37 14 14 GLU N N 119.16 0.1 1 38 15 15 GLU H H 7.703 0.02 1 39 15 15 GLU CA C 56.46 0.1 1 40 15 15 GLU CB C 25.99 0.1 1 41 15 15 GLU N N 120.2 0.1 1 42 16 16 LEU H H 8.287 0.02 1 43 16 16 LEU CA C 55.63 0.1 1 44 16 16 LEU CB C 38.09 0.1 1 45 16 16 LEU N N 121.59 0.1 1 46 17 17 GLU H H 8.305 0.02 1 47 17 17 GLU CA C 56.69 0.1 1 48 17 17 GLU CB C 25.39 0.1 1 49 17 17 GLU N N 119.68 0.1 1 50 18 18 ASN H H 8.131 0.02 1 51 18 18 ASN CA C 53.34 0.1 1 52 18 18 ASN CB C 35.12 0.1 1 53 18 18 ASN N N 119.74 0.1 1 54 19 19 ILE H H 8.169 0.02 1 55 19 19 ILE CA C 62.31 0.1 1 56 19 19 ILE CB C 34.52 0.1 1 57 19 19 ILE N N 122.24 0.1 1 58 20 20 PHE H H 8.719 0.02 1 59 20 20 PHE CA C 59.76 0.1 1 60 20 20 PHE CB C 35.34 0.1 1 61 20 20 PHE N N 121.17 0.1 1 62 21 21 SER H H 8.357 0.02 1 63 21 21 SER CA C 58.19 0.1 1 64 21 21 SER CB C 60.66 0.1 1 65 21 21 SER N N 112.3 0.1 1 66 22 22 ARG H H 7.369 0.02 1 67 22 22 ARG CA C 55.34 0.1 1 68 22 22 ARG CB C 27.6 0.1 1 69 22 22 ARG N N 120.59 0.1 1 70 23 23 SER H H 8.38 0.02 1 71 23 23 SER CA C 52.86 0.1 1 72 23 23 SER CB C 60.22 0.1 1 73 23 23 SER N N 110.89 0.1 1 74 24 24 PRO CA C 62.05 0.1 1 75 24 24 PRO CB C 28.51 0.1 1 76 25 25 SER H H 7.805 0.02 1 77 25 25 SER CA C 58.55 0.1 1 78 25 25 SER N N 111.14 0.1 1 79 26 26 ASP H H 8.066 0.02 1 80 26 26 ASP CA C 54.71 0.1 1 81 26 26 ASP CB C 36.7 0.1 1 82 26 26 ASP N N 124.61 0.1 1 83 27 27 ILE H H 7.071 0.02 1 84 27 27 ILE CA C 62.11 0.1 1 85 27 27 ILE CB C 33.01 0.1 1 86 27 27 ILE N N 116.71 0.1 1 87 28 28 ALA H H 7.709 0.1 1 88 28 28 ALA CA C 52.51 0.1 1 89 28 28 ALA CB C 15.1 0.1 1 90 28 28 ALA N N 122.28 0.02 1 91 29 29 GLU H H 8.034 0.02 1 92 29 29 GLU CA C 56.43 0.1 1 93 29 29 GLU CB C 26.1 0.1 1 94 29 29 GLU N N 116.25 0.1 1 95 30 30 ILE H H 7.241 0.02 1 96 30 30 ILE CA C 60.11 0.1 1 97 30 30 ILE CB C 32.53 0.1 1 98 30 30 ILE N N 119.99 0.1 1 99 31 31 VAL H H 8.041 0.02 1 100 31 31 VAL CA C 64.69 0.1 1 101 31 31 VAL CB C 27.42 0.1 1 102 31 31 VAL N N 120.22 0.1 1 103 32 32 ARG H H 8.416 0.02 1 104 32 32 ARG CA C 57.44 0.1 1 105 32 32 ARG CB C 26.96 0.1 1 106 32 32 ARG N N 118.54 0.1 1 107 33 33 LEU H H 7.579 0.02 1 108 33 33 LEU CA C 55.47 0.1 1 109 33 33 LEU CB C 38.32 0.1 1 110 33 33 LEU N N 121.31 0.1 1 111 34 34 TRP H H 8.376 0.02 1 112 34 34 TRP CA C 54.86 0.1 1 113 34 34 TRP CB C 25.75 0.1 1 114 34 34 TRP N N 120.46 0.1 1 115 35 35 PHE H H 8.863 0.02 1 116 35 35 PHE CA C 59.42 0.1 1 117 35 35 PHE CB C 36.24 0.1 1 118 35 35 PHE N N 119.25 0.1 1 119 36 36 PHE H H 8.058 0.02 1 120 36 36 PHE CA C 55.97 0.1 1 121 36 36 PHE CB C 35.68 0.1 1 122 36 36 PHE N N 116.95 0.1 1 123 37 37 GLU H H 8.067 0.02 1 124 37 37 GLU CA C 55.38 0.1 1 125 37 37 GLU N N 121.84 0.1 1 126 38 38 ARG CA C 53.72 0.1 1 127 39 39 GLY H H 8.317 0.02 1 128 39 39 GLY CA C 42.54 0.1 1 129 39 39 GLY N N 109.49 0.1 1 130 40 40 LEU H H 7.984 0.02 1 131 40 40 LEU CA C 52.55 0.1 1 132 40 40 LEU CB C 38.8 0.1 1 133 40 40 LEU N N 121.67 0.1 1 134 41 41 GLU H H 8.23 0.02 1 135 41 41 GLU CA C 53.67 0.1 1 136 41 41 GLU CB C 26.82 0.1 1 137 41 41 GLU N N 120.66 0.1 1 138 42 42 ASP H H 8.148 0.02 1 139 42 42 ASP CA C 51.44 0.1 1 140 42 42 ASP CB C 38.26 0.1 1 141 42 42 ASP N N 121.19 0.1 1 stop_ save_