data_18310 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG bound to unlabeled FliF C-terminal peptide ; _BMRB_accession_number 18310 _BMRB_flat_file_name bmr18310.str _Entry_type original _Submission_date 2012-03-01 _Accession_date 2012-03-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical Shift 1H, 13C, 15N Assignments of N-terminal domain of Thermotoga Maritima flagellar motor protein FliG' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Levenson Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 103 "13C chemical shifts" 311 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 update BMRB 'update entry citation' 2012-06-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18309 'FliGn homodimer' stop_ save_ ############################# # Citation for this entry # ############################# save_FliF-FliG _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into the interaction between the bacterial flagellar motor proteins FliF and FliG.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22670715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Levenson Robert . . 2 Zhou Hongjun . . 3 Dahlquist Frederick W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5052 _Page_last 5060 _Year 2012 _Details . 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 subunit $FliGn peptide $FliFc stop_ _System_molecular_weight 18000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details '15N,13C,2H uniformly-labeled FliGn bound to unlabeled peptide corresponding to C-terminal region of FliF.' 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' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MDHHHHHHHHASENLYFQGH MPEKKIDGRRKAAVLLVALG PEKAAQVMKHLDEETVEQLV VEIANIGRVTPEEKKQVLEE FLSLAKAKEMISEGGIEYAK KVLEKAFGPERARKIIERLT SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -19 MET 2 -18 ASP 3 -17 HIS 4 -16 HIS 5 -15 HIS 6 -14 HIS 7 -13 HIS 8 -12 HIS 9 -11 HIS 10 -10 HIS 11 -9 ALA 12 -8 SER 13 -7 GLU 14 -6 ASN 15 -5 LEU 16 -4 TYR 17 -3 PHE 18 -2 GLN 19 -1 GLY 20 0 HIS 21 1 MET 22 2 PRO 23 3 GLU 24 4 LYS 25 5 LYS 26 6 ILE 27 7 ASP 28 8 GLY 29 9 ARG 30 10 ARG 31 11 LYS 32 12 ALA 33 13 ALA 34 14 VAL 35 15 LEU 36 16 LEU 37 17 VAL 38 18 ALA 39 19 LEU 40 20 GLY 41 21 PRO 42 22 GLU 43 23 LYS 44 24 ALA 45 25 ALA 46 26 GLN 47 27 VAL 48 28 MET 49 29 LYS 50 30 HIS 51 31 LEU 52 32 ASP 53 33 GLU 54 34 GLU 55 35 THR 56 36 VAL 57 37 GLU 58 38 GLN 59 39 LEU 60 40 VAL 61 41 VAL 62 42 GLU 63 43 ILE 64 44 ALA 65 45 ASN 66 46 ILE 67 47 GLY 68 48 ARG 69 49 VAL 70 50 THR 71 51 PRO 72 52 GLU 73 53 GLU 74 54 LYS 75 55 LYS 76 56 GLN 77 57 VAL 78 58 LEU 79 59 GLU 80 60 GLU 81 61 PHE 82 62 LEU 83 63 SER 84 64 LEU 85 65 ALA 86 66 LYS 87 67 ALA 88 68 LYS 89 69 GLU 90 70 MET 91 71 ILE 92 72 SER 93 73 GLU 94 74 GLY 95 75 GLY 96 76 ILE 97 77 GLU 98 78 TYR 99 79 ALA 100 80 LYS 101 81 LYS 102 82 VAL 103 83 LEU 104 84 GLU 105 85 LYS 106 86 ALA 107 87 PHE 108 88 GLY 109 89 PRO 110 90 GLU 111 91 ARG 112 92 ALA 113 93 ARG 114 94 LYS 115 95 ILE 116 96 ILE 117 97 GLU 118 98 ARG 119 99 LEU 120 100 THR 121 101 SER 122 102 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 100.00 122 100.00 100.00 4.14e-80 GB AAD35312 "flagellar motor switch protein FliG [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.43e-60 GB ABQ46724 "flagellar motor switch protein FliG [Thermotoga petrophila RKU-1]" 83.61 335 97.06 99.02 2.17e-58 GB ACB09081 "flagellar motor switch protein FliG [Thermotoga sp. RQ2]" 83.61 335 97.06 99.02 2.42e-58 GB ADA66942 "flagellar motor switch protein FliG [Thermotoga naphthophila RKU-10]" 83.61 335 97.06 99.02 2.17e-58 GB AGL49144 "Flagellar motor switch protein FliG [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.43e-60 REF NP_228035 "flagellar motor switch protein G [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.43e-60 REF WP_004082903 "flagellar motor switch protein FliG [Thermotoga maritima]" 83.61 335 100.00 100.00 2.43e-60 REF WP_008193872 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.13e-58 REF WP_011943308 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.17e-58 REF WP_012310706 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.42e-58 SP Q9WY63 "RecName: Full=Flagellar motor switch protein FliG" 83.61 335 100.00 100.00 2.43e-60 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' _Details . _Residue_count 38 _Mol_residue_sequence ; VSPEEKELLELLEELENIFS RSPSDIAEIVRLWFFERG ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 SER 3 PRO 4 GLU 5 GLU 6 LYS 7 GLU 8 LEU 9 LEU 10 GLU 11 LEU 12 LEU 13 GLU 14 GLU 15 LEU 16 GLU 17 ASN 18 ILE 19 PHE 20 SER 21 ARG 22 SER 23 PRO 24 SER 25 ASP 26 ILE 27 ALA 28 GLU 29 ILE 30 VAL 31 ARG 32 LEU 33 TRP 34 PHE 35 PHE 36 GLU 37 ARG 38 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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]" 100.00 532 100.00 100.00 1.29e-14 GB ABQ46723 "flagellar M-ring protein FliF [Thermotoga petrophila RKU-1]" 100.00 532 97.37 100.00 2.79e-14 GB ACB09080 "flagellar M-ring protein FliF [Thermotoga sp. RQ2]" 100.00 532 97.37 100.00 3.04e-14 GB ADA66943 "flagellar M-ring protein FliF [Thermotoga naphthophila RKU-10]" 100.00 532 97.37 100.00 2.79e-14 GB AGL49145 "Flagellar M-ring protein FliF [Thermotoga maritima MSB8]" 100.00 532 100.00 100.00 1.29e-14 REF NP_228036 "flagellar M-ring protein [Thermotoga maritima MSB8]" 100.00 532 100.00 100.00 1.29e-14 REF WP_004082905 "flagellar M-ring protein FliF [Thermotoga maritima]" 100.00 532 100.00 100.00 1.29e-14 REF WP_008193870 "flagellar M-ring protein FliF [Thermotoga sp. EMP]" 100.00 532 97.37 100.00 3.01e-14 REF WP_011943307 "MULTISPECIES: flagellar M-ring protein FliF [Thermotoga]" 100.00 532 97.37 100.00 2.79e-14 REF WP_012310705 "flagellar M-ring protein FliF [Thermotoga sp. RQ2]" 100.00 532 97.37 100.00 3.04e-14 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 $FliGn 'recombinant technology' . . . . pJY5 $FliFc 'chemical synthesis' . . . . . 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 500 uM 'natural abundance' '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 Varian _Model INOVA _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_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 temperature 313 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 125 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0 external 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 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 subunit _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 -8 12 SER C C 174.76 0.1 1 2 -8 12 SER CA C 58.38 0.1 1 3 -7 13 GLU H H 8.239 0.02 1 4 -7 13 GLU C C 176.22 0.1 1 5 -7 13 GLU CA C 56.60 0.1 1 6 -7 13 GLU CB C 29.29 0.1 1 7 -7 13 GLU N N 122.67 0.1 1 8 -6 14 ASN H H 8.165 0.02 1 9 -6 14 ASN C C 175.01 0.1 1 10 -6 14 ASN CA C 53.13 0.1 1 11 -6 14 ASN CB C 38.23 0.1 1 12 -6 14 ASN N N 119.22 0.1 1 13 -5 15 LEU H H 7.872 0.02 1 14 -5 15 LEU C C 176.93 0.1 1 15 -5 15 LEU CA C 55.17 0.1 1 16 -5 15 LEU CB C 41.23 0.1 1 17 -5 15 LEU N N 122.34 0.1 1 18 -4 16 TYR H H 7.804 0.02 1 19 -4 16 TYR C C 175.58 0.1 1 20 -4 16 TYR CA C 57.60 0.1 1 21 -4 16 TYR CB C 37.80 0.1 1 22 -4 16 TYR N N 119.75 0.1 1 23 -3 17 PHE H H 7.841 0.02 1 24 -3 17 PHE C C 175.43 0.1 1 25 -3 17 PHE CA C 57.39 0.1 1 26 -3 17 PHE CB C 38.61 0.1 1 27 -3 17 PHE N N 121.39 0.1 1 28 -2 18 GLN H H 8.072 0.02 1 29 -2 18 GLN CA C 55.64 0.1 1 30 -2 18 GLN CB C 28.41 0.1 1 31 -2 18 GLN N N 122.12 0.1 1 32 2 22 PRO C C 176.78 0.1 1 33 2 22 PRO CA C 62.81 0.1 1 34 2 22 PRO CB C 31.17 0.1 1 35 3 23 GLU H H 8.357 0.02 1 36 3 23 GLU C C 176.34 0.1 1 37 3 23 GLU CA C 56.40 0.1 1 38 3 23 GLU CB C 29.58 0.1 1 39 3 23 GLU N N 121.73 0.1 1 40 4 24 LYS H H 8.075 0.02 1 41 4 24 LYS C C 175.94 0.1 1 42 4 24 LYS CA C 55.45 0.1 1 43 4 24 LYS CB C 32.10 0.1 1 44 4 24 LYS N N 122.82 0.1 1 45 5 25 LYS H H 8.173 0.02 1 46 5 25 LYS C C 175.95 0.1 1 47 5 25 LYS CA C 55.64 0.1 1 48 5 25 LYS CB C 32.04 0.1 1 49 5 25 LYS N N 124.62 0.1 1 50 6 26 ILE H H 8.050 0.02 1 51 6 26 ILE C C 175.20 0.1 1 52 6 26 ILE CA C 60.40 0.1 1 53 6 26 ILE CB C 38.34 0.1 1 54 6 26 ILE N N 124.29 0.1 1 55 7 27 ASP H H 8.228 0.02 1 56 7 27 ASP C C 176.95 0.1 1 57 7 27 ASP CA C 53.88 0.1 1 58 7 27 ASP CB C 41.78 0.1 1 59 7 27 ASP N N 126.82 0.1 1 60 8 28 GLY H H 8.593 0.02 1 61 8 28 GLY C C 175.41 0.1 1 62 8 28 GLY CA C 47.51 0.1 1 63 8 28 GLY N N 111.52 0.1 1 64 9 29 ARG H H 7.752 0.02 1 65 9 29 ARG C C 177.50 0.1 1 66 9 29 ARG CA C 59.52 0.1 1 67 9 29 ARG CB C 28.78 0.1 1 68 9 29 ARG N N 119.11 0.1 1 69 10 30 ARG H H 7.109 0.02 1 70 10 30 ARG C C 177.98 0.1 1 71 10 30 ARG CA C 58.34 0.1 1 72 10 30 ARG CB C 28.25 0.1 1 73 10 30 ARG N N 119.29 0.1 1 74 11 31 LYS H H 7.795 0.02 1 75 11 31 LYS C C 177.31 0.1 1 76 11 31 LYS CA C 60.10 0.1 1 77 11 31 LYS CB C 30.11 0.1 1 78 11 31 LYS N N 118.59 0.1 1 79 12 32 ALA H H 7.621 0.02 1 80 12 32 ALA C C 178.16 0.1 1 81 12 32 ALA CA C 55.01 0.1 1 82 12 32 ALA CB C 18.73 0.1 1 83 12 32 ALA N N 118.14 0.1 1 84 13 33 ALA H H 7.677 0.02 1 85 13 33 ALA C C 178.50 0.1 1 86 13 33 ALA CA C 55.12 0.1 1 87 13 33 ALA CB C 18.05 0.1 1 88 13 33 ALA N N 119.21 0.1 1 89 14 34 VAL H H 8.737 0.02 1 90 14 34 VAL C C 177.94 0.1 1 91 14 34 VAL CA C 66.54 0.1 1 92 14 34 VAL CB C 30.63 0.1 1 93 14 34 VAL N N 118.68 0.1 1 94 15 35 LEU H H 8.133 0.02 1 95 15 35 LEU C C 178.21 0.1 1 96 15 35 LEU CA C 57.44 0.1 1 97 15 35 LEU CB C 41.12 0.1 1 98 15 35 LEU N N 121.01 0.1 1 99 16 36 LEU H H 7.825 0.02 1 100 16 36 LEU C C 180.45 0.1 1 101 16 36 LEU CA C 57.71 0.1 1 102 16 36 LEU CB C 39.47 0.1 1 103 16 36 LEU N N 117.33 0.1 1 104 17 37 VAL H H 8.550 0.02 1 105 17 37 VAL C C 178.96 0.1 1 106 17 37 VAL CA C 65.82 0.1 1 107 17 37 VAL CB C 30.61 0.1 1 108 17 37 VAL N N 122.73 0.1 1 109 18 38 ALA H H 8.207 0.02 1 110 18 38 ALA C C 179.26 0.1 1 111 18 38 ALA CA C 54.08 0.1 1 112 18 38 ALA CB C 16.08 0.1 1 113 18 38 ALA N N 124.10 0.1 1 114 19 39 LEU H H 7.442 0.02 1 115 19 39 LEU C C 177.95 0.1 1 116 19 39 LEU CA C 56.22 0.1 1 117 19 39 LEU CB C 42.14 0.1 1 118 19 39 LEU N N 116.74 0.1 1 119 20 40 GLY H H 7.123 0.02 1 120 20 40 GLY CA C 43.46 0.1 1 121 20 40 GLY N N 108.01 0.1 1 122 21 41 PRO C C 179.84 0.1 1 123 21 41 PRO CA C 65.68 0.1 1 124 21 41 PRO CB C 31.16 0.1 1 125 22 42 GLU H H 8.192 0.02 1 126 22 42 GLU C C 179.61 0.1 1 127 22 42 GLU CA C 59.55 0.1 1 128 22 42 GLU CB C 28.34 0.1 1 129 22 42 GLU N N 120.04 0.1 1 130 23 43 LYS H H 8.299 0.02 1 131 23 43 LYS C C 179.49 0.1 1 132 23 43 LYS CA C 59.06 0.1 1 133 23 43 LYS CB C 32.22 0.1 1 134 23 43 LYS N N 120.71 0.1 1 135 24 44 ALA H H 8.879 0.02 1 136 24 44 ALA C C 179.82 0.1 1 137 24 44 ALA CA C 55.30 0.1 1 138 24 44 ALA CB C 17.70 0.1 1 139 24 44 ALA N N 121.44 0.1 1 140 25 45 ALA H H 7.643 0.02 1 141 25 45 ALA C C 180.46 0.1 1 142 25 45 ALA CA C 54.92 0.1 1 143 25 45 ALA CB C 17.10 0.1 1 144 25 45 ALA N N 119.08 0.1 1 145 26 46 GLN H H 7.242 0.02 1 146 26 46 GLN C C 178.67 0.1 1 147 26 46 GLN CA C 57.92 0.1 1 148 26 46 GLN CB C 27.80 0.1 1 149 26 46 GLN N N 116.12 0.1 1 150 27 47 VAL H H 7.698 0.02 1 151 27 47 VAL C C 178.07 0.1 1 152 27 47 VAL CA C 66.40 0.1 1 153 27 47 VAL CB C 30.96 0.1 1 154 27 47 VAL N N 119.44 0.1 1 155 28 48 MET H H 8.337 0.02 1 156 28 48 MET C C 176.69 0.1 1 157 28 48 MET CA C 59.18 0.1 1 158 28 48 MET CB C 32.51 0.1 1 159 28 48 MET N N 116.41 0.1 1 160 29 49 LYS H H 7.003 0.02 1 161 29 49 LYS CA C 57.69 0.1 1 162 29 49 LYS CB C 31.06 0.1 1 163 29 49 LYS N N 117.20 0.1 1 164 30 50 HIS H H 7.390 0.02 1 165 30 50 HIS C C 174.27 0.1 1 166 30 50 HIS CA C 56.13 0.1 1 167 30 50 HIS CB C 29.71 0.1 1 168 30 50 HIS N N 116.13 0.1 1 169 31 51 LEU H H 7.327 0.02 1 170 31 51 LEU C C 175.11 0.1 1 171 31 51 LEU CA C 52.56 0.1 1 172 31 51 LEU CB C 43.83 0.1 1 173 31 51 LEU N N 120.51 0.1 1 174 32 52 ASP H H 8.045 0.02 1 175 32 52 ASP C C 176.10 0.1 1 176 32 52 ASP CA C 53.05 0.1 1 177 32 52 ASP CB C 41.15 0.1 1 178 32 52 ASP N N 118.87 0.1 1 179 33 53 GLU H H 8.661 0.02 1 180 33 53 GLU C C 178.49 0.1 1 181 33 53 GLU CA C 59.90 0.1 1 182 33 53 GLU CB C 28.98 0.1 1 183 33 53 GLU N N 120.85 0.1 1 184 34 54 GLU H H 8.451 0.02 1 185 34 54 GLU C C 179.22 0.1 1 186 34 54 GLU CA C 59.30 0.1 1 187 34 54 GLU CB C 28.52 0.1 1 188 34 54 GLU N N 119.70 0.1 1 189 35 55 THR H H 7.751 0.02 1 190 35 55 THR C C 176.22 0.1 1 191 35 55 THR CA C 66.21 0.1 1 192 35 55 THR CB C 66.75 0.1 1 193 35 55 THR N N 119.44 0.1 1 194 36 56 VAL H H 8.056 0.02 1 195 36 56 VAL C C 177.01 0.1 1 196 36 56 VAL CA C 67.68 0.1 1 197 36 56 VAL CB C 30.91 0.1 1 198 36 56 VAL N N 121.93 0.1 1 199 37 57 GLU H H 7.951 0.02 1 200 37 57 GLU C C 179.46 0.1 1 201 37 57 GLU CA C 59.21 0.1 1 202 37 57 GLU CB C 28.53 0.1 1 203 37 57 GLU N N 117.46 0.1 1 204 38 58 GLN H H 7.268 0.02 1 205 38 58 GLN C C 179.21 0.1 1 206 38 58 GLN CA C 57.99 0.1 1 207 38 58 GLN CB C 28.90 0.1 1 208 38 58 GLN N N 115.82 0.1 1 209 39 59 LEU H H 8.505 0.02 1 210 39 59 LEU C C 178.47 0.1 1 211 39 59 LEU CA C 57.72 0.1 1 212 39 59 LEU CB C 41.23 0.1 1 213 39 59 LEU N N 123.23 0.1 1 214 40 60 VAL H H 8.564 0.02 1 215 40 60 VAL C C 179.28 0.1 1 216 40 60 VAL CA C 66.56 0.1 1 217 40 60 VAL CB C 30.73 0.1 1 218 40 60 VAL N N 118.58 0.1 1 219 41 61 VAL H H 6.934 0.02 1 220 41 61 VAL C C 178.01 0.1 1 221 41 61 VAL CA C 65.77 0.1 1 222 41 61 VAL CB C 30.97 0.1 1 223 41 61 VAL N N 121.22 0.1 1 224 42 62 GLU H H 7.731 0.02 1 225 42 62 GLU C C 179.94 0.1 1 226 42 62 GLU CA C 58.51 0.1 1 227 42 62 GLU CB C 28.34 0.1 1 228 42 62 GLU N N 121.03 0.1 1 229 43 63 ILE H H 8.530 0.02 1 230 43 63 ILE C C 178.59 0.1 1 231 43 63 ILE CA C 65.43 0.1 1 232 43 63 ILE CB C 37.90 0.1 1 233 43 63 ILE N N 118.92 0.1 1 234 44 64 ALA H H 7.736 0.02 1 235 44 64 ALA C C 179.19 0.1 1 236 44 64 ALA CA C 54.24 0.1 1 237 44 64 ALA CB C 17.16 0.1 1 238 44 64 ALA N N 122.52 0.1 1 239 45 65 ASN H H 7.427 0.02 1 240 45 65 ASN C C 175.85 0.1 1 241 45 65 ASN CA C 52.41 0.1 1 242 45 65 ASN CB C 38.91 0.1 1 243 45 65 ASN N N 115.02 0.1 1 244 46 66 ILE H H 7.127 0.02 1 245 46 66 ILE C C 175.93 0.1 1 246 46 66 ILE CA C 62.61 0.1 1 247 46 66 ILE CB C 38.26 0.1 1 248 46 66 ILE N N 122.44 0.1 1 249 47 67 GLY H H 8.183 0.02 1 250 47 67 GLY C C 173.38 0.1 1 251 47 67 GLY CA C 45.28 0.1 1 252 47 67 GLY N N 110.47 0.1 1 253 48 68 ARG H H 8.112 0.02 1 254 48 68 ARG C C 175.89 0.1 1 255 48 68 ARG CA C 55.74 0.1 1 256 48 68 ARG CB C 29.81 0.1 1 257 48 68 ARG N N 124.44 0.1 1 258 49 69 VAL H H 8.265 0.02 1 259 49 69 VAL C C 176.65 0.1 1 260 49 69 VAL CA C 60.69 0.1 1 261 49 69 VAL CB C 32.48 0.1 1 262 49 69 VAL N N 127.26 0.1 1 263 50 70 THR H H 8.891 0.02 1 264 50 70 THR CA C 59.95 0.1 1 265 50 70 THR CB C 68.22 0.1 1 266 50 70 THR N N 121.29 0.1 1 267 51 71 PRO C C 178.80 0.1 1 268 51 71 PRO CA C 65.11 0.1 1 269 51 71 PRO CB C 30.77 0.1 1 270 52 72 GLU H H 8.549 0.02 1 271 52 72 GLU C C 178.91 0.1 1 272 52 72 GLU CA C 60.00 0.1 1 273 52 72 GLU CB C 28.02 0.1 1 274 52 72 GLU N N 116.82 0.1 1 275 53 73 GLU H H 7.719 0.02 1 276 53 73 GLU C C 177.99 0.1 1 277 53 73 GLU CA C 59.02 0.1 1 278 53 73 GLU CB C 28.91 0.1 1 279 53 73 GLU N N 122.92 0.1 1 280 54 74 LYS H H 7.941 0.02 1 281 54 74 LYS C C 177.70 0.1 1 282 54 74 LYS CA C 60.32 0.1 1 283 54 74 LYS CB C 32.01 0.1 1 284 54 74 LYS N N 119.01 0.1 1 285 55 75 LYS H H 8.257 0.02 1 286 55 75 LYS C C 177.34 0.1 1 287 55 75 LYS CA C 60.09 0.1 1 288 55 75 LYS CB C 31.81 0.1 1 289 55 75 LYS N N 118.07 0.1 1 290 56 76 GLN H H 7.713 0.02 1 291 56 76 GLN C C 180.02 0.1 1 292 56 76 GLN CA C 58.84 0.1 1 293 56 76 GLN CB C 27.77 0.1 1 294 56 76 GLN N N 117.99 0.1 1 295 57 77 VAL H H 8.213 0.02 1 296 57 77 VAL C C 177.93 0.1 1 297 57 77 VAL CA C 66.89 0.1 1 298 57 77 VAL CB C 31.10 0.1 1 299 57 77 VAL N N 121.10 0.1 1 300 58 78 LEU H H 8.469 0.02 1 301 58 78 LEU C C 179.05 0.1 1 302 58 78 LEU CA C 58.21 0.1 1 303 58 78 LEU CB C 41.00 0.1 1 304 58 78 LEU N N 120.43 0.1 1 305 59 79 GLU H H 8.784 0.02 1 306 59 79 GLU C C 179.94 0.1 1 307 59 79 GLU CA C 59.97 0.1 1 308 59 79 GLU CB C 28.89 0.1 1 309 59 79 GLU N N 118.77 0.1 1 310 60 80 GLU H H 7.945 0.02 1 311 60 80 GLU C C 178.88 0.1 1 312 60 80 GLU CA C 59.88 0.1 1 313 60 80 GLU CB C 28.66 0.1 1 314 60 80 GLU N N 121.55 0.1 1 315 61 81 PHE H H 9.212 0.02 1 316 61 81 PHE C C 176.19 0.1 1 317 61 81 PHE CA C 62.03 0.1 1 318 61 81 PHE CB C 38.62 0.1 1 319 61 81 PHE N N 120.05 0.1 1 320 62 82 LEU H H 8.687 0.02 1 321 62 82 LEU C C 179.74 0.1 1 322 62 82 LEU CA C 57.48 0.1 1 323 62 82 LEU CB C 40.34 0.1 1 324 62 82 LEU N N 119.03 0.1 1 325 63 83 SER H H 7.763 0.02 1 326 63 83 SER C C 176.00 0.1 1 327 63 83 SER CA C 62.08 0.1 1 328 63 83 SER CB C 63.01 0.1 1 329 63 83 SER N N 116.28 0.1 1 330 64 84 LEU H H 7.712 0.02 1 331 64 84 LEU C C 178.33 0.1 1 332 64 84 LEU CA C 57.49 0.1 1 333 64 84 LEU CB C 41.08 0.1 1 334 64 84 LEU N N 122.46 0.1 1 335 65 85 ALA H H 8.626 0.02 1 336 65 85 ALA C C 180.94 0.1 1 337 65 85 ALA CA C 54.68 0.1 1 338 65 85 ALA CB C 16.52 0.1 1 339 65 85 ALA N N 122.04 0.1 1 340 66 86 LYS H H 8.082 0.02 1 341 66 86 LYS C C 179.01 0.1 1 342 66 86 LYS CA C 57.91 0.1 1 343 66 86 LYS CB C 30.43 0.1 1 344 66 86 LYS N N 119.14 0.1 1 345 67 87 ALA H H 7.779 0.02 1 346 67 87 ALA C C 178.89 0.1 1 347 67 87 ALA CA C 55.04 0.1 1 348 67 87 ALA CB C 17.71 0.1 1 349 67 87 ALA N N 122.10 0.1 1 350 68 88 LYS H H 8.221 0.02 1 351 68 88 LYS C C 178.81 0.1 1 352 68 88 LYS CA C 59.36 0.1 1 353 68 88 LYS CB C 30.94 0.1 1 354 68 88 LYS N N 118.37 0.1 1 355 69 89 GLU H H 7.713 0.02 1 356 69 89 GLU C C 179.03 0.1 1 357 69 89 GLU CA C 58.92 0.1 1 358 69 89 GLU CB C 28.78 0.1 1 359 69 89 GLU N N 120.98 0.1 1 360 70 90 MET H H 8.027 0.02 1 361 70 90 MET C C 179.26 0.1 1 362 70 90 MET CA C 58.80 0.1 1 363 70 90 MET CB C 32.84 0.1 1 364 70 90 MET N N 118.80 0.1 1 365 71 91 ILE H H 8.312 0.02 1 366 71 91 ILE C C 179.29 0.1 1 367 71 91 ILE CA C 65.40 0.1 1 368 71 91 ILE CB C 37.27 0.1 1 369 71 91 ILE N N 120.99 0.1 1 370 72 92 SER H H 7.971 0.02 1 371 72 92 SER C C 175.30 0.1 1 372 72 92 SER CA C 61.20 0.1 1 373 72 92 SER CB C 63.16 0.1 1 374 72 92 SER N N 116.98 0.1 1 375 73 93 GLU H H 7.689 0.02 1 376 73 93 GLU C C 177.33 0.1 1 377 73 93 GLU CA C 56.91 0.1 1 378 73 93 GLU CB C 29.48 0.1 1 379 73 93 GLU N N 119.47 0.1 1 380 74 94 GLY H H 8.025 0.02 1 381 74 94 GLY C C 175.06 0.1 1 382 74 94 GLY CA C 44.95 0.1 1 383 74 94 GLY N N 106.05 0.1 1 384 75 95 GLY H H 8.253 0.02 1 385 75 95 GLY C C 174.72 0.1 1 386 75 95 GLY CA C 45.10 0.1 1 387 75 95 GLY N N 112.29 0.1 1 388 76 96 ILE H H 8.182 0.02 1 389 76 96 ILE C C 176.72 0.1 1 390 76 96 ILE CA C 64.64 0.1 1 391 76 96 ILE CB C 37.17 0.1 1 392 76 96 ILE N N 120.60 0.1 1 393 77 97 GLU H H 8.441 0.02 1 394 77 97 GLU C C 179.06 0.1 1 395 77 97 GLU CA C 59.25 0.1 1 396 77 97 GLU CB C 27.86 0.1 1 397 77 97 GLU N N 120.09 0.1 1 398 78 98 TYR H H 7.562 0.02 1 399 78 98 TYR C C 177.10 0.1 1 400 78 98 TYR CA C 59.85 0.1 1 401 78 98 TYR CB C 37.48 0.1 1 402 78 98 TYR N N 120.62 0.1 1 403 79 99 ALA H H 7.904 0.02 1 404 79 99 ALA C C 179.08 0.1 1 405 79 99 ALA CA C 54.45 0.1 1 406 79 99 ALA CB C 18.41 0.1 1 407 79 99 ALA N N 121.28 0.1 1 408 80 100 LYS H H 8.454 0.02 1 409 80 100 LYS C C 177.89 0.1 1 410 80 100 LYS CA C 60.32 0.1 1 411 80 100 LYS CB C 31.56 0.1 1 412 80 100 LYS N N 117.35 0.1 1 413 81 101 LYS H H 7.268 0.02 1 414 81 101 LYS C C 179.74 0.1 1 415 81 101 LYS CA C 58.86 0.1 1 416 81 101 LYS CB C 31.12 0.1 1 417 81 101 LYS N N 118.18 0.1 1 418 82 102 VAL H H 7.557 0.02 1 419 82 102 VAL C C 179.43 0.1 1 420 82 102 VAL CA C 65.73 0.1 1 421 82 102 VAL CB C 31.09 0.1 1 422 82 102 VAL N N 119.86 0.1 1 423 83 103 LEU H H 8.364 0.02 1 424 83 103 LEU C C 179.11 0.1 1 425 83 103 LEU CA C 57.12 0.1 1 426 83 103 LEU CB C 41.67 0.1 1 427 83 103 LEU N N 119.71 0.1 1 428 84 104 GLU H H 8.629 0.02 1 429 84 104 GLU C C 179.41 0.1 1 430 84 104 GLU CA C 59.21 0.1 1 431 84 104 GLU CB C 28.39 0.1 1 432 84 104 GLU N N 121.10 0.1 1 433 85 105 LYS H H 7.277 0.02 1 434 85 105 LYS C C 177.43 0.1 1 435 85 105 LYS CA C 58.37 0.1 1 436 85 105 LYS CB C 31.15 0.1 1 437 85 105 LYS N N 119.82 0.1 1 438 86 106 ALA H H 7.159 0.02 1 439 86 106 ALA C C 179.21 0.1 1 440 86 106 ALA CA C 53.83 0.1 1 441 86 106 ALA CB C 17.99 0.1 1 442 86 106 ALA N N 119.00 0.1 1 443 87 107 PHE H H 8.339 0.02 1 444 87 107 PHE C C 176.95 0.1 1 445 87 107 PHE CA C 56.62 0.1 1 446 87 107 PHE CB C 41.08 0.1 1 447 87 107 PHE N N 112.59 0.1 1 448 88 108 GLY H H 7.762 0.02 1 449 88 108 GLY CA C 43.96 0.1 1 450 88 108 GLY N N 111.16 0.1 1 451 89 109 PRO C C 179.00 0.1 1 452 89 109 PRO CA C 65.72 0.1 1 453 89 109 PRO CB C 31.20 0.1 1 454 90 110 GLU H H 8.149 0.02 1 455 90 110 GLU C C 179.10 0.1 1 456 90 110 GLU CA C 59.47 0.1 1 457 90 110 GLU CB C 28.31 0.1 1 458 90 110 GLU N N 119.75 0.1 1 459 91 111 ARG H H 8.751 0.02 1 460 91 111 ARG C C 178.86 0.1 1 461 91 111 ARG CA C 58.49 0.1 1 462 91 111 ARG CB C 28.81 0.1 1 463 91 111 ARG N N 120.36 0.1 1 464 92 112 ALA H H 7.943 0.02 1 465 92 112 ALA C C 178.56 0.1 1 466 92 112 ALA CA C 55.53 0.1 1 467 92 112 ALA CB C 18.52 0.1 1 468 92 112 ALA N N 118.89 0.1 1 469 93 113 ARG H H 7.543 0.02 1 470 93 113 ARG C C 178.50 0.1 1 471 93 113 ARG CA C 59.18 0.1 1 472 93 113 ARG CB C 28.81 0.1 1 473 93 113 ARG N N 116.25 0.1 1 474 94 114 LYS H H 7.380 0.02 1 475 94 114 LYS C C 179.31 0.1 1 476 94 114 LYS CA C 58.39 0.1 1 477 94 114 LYS CB C 31.21 0.1 1 478 94 114 LYS N N 119.12 0.1 1 479 95 115 ILE H H 8.068 0.02 1 480 95 115 ILE C C 177.61 0.1 1 481 95 115 ILE CA C 65.17 0.1 1 482 95 115 ILE CB C 37.24 0.1 1 483 95 115 ILE N N 120.55 0.1 1 484 96 116 ILE H H 7.933 0.02 1 485 96 116 ILE C C 179.16 0.1 1 486 96 116 ILE CA C 63.66 0.1 1 487 96 116 ILE CB C 35.70 0.1 1 488 96 116 ILE N N 119.01 0.1 1 489 97 117 GLU H H 8.150 0.02 1 490 97 117 GLU C C 178.82 0.1 1 491 97 117 GLU CA C 59.21 0.1 1 492 97 117 GLU CB C 28.71 0.1 1 493 97 117 GLU N N 121.75 0.1 1 494 98 118 ARG H H 7.678 0.02 1 495 98 118 ARG C C 178.79 0.1 1 496 98 118 ARG CA C 57.87 0.1 1 497 98 118 ARG CB C 29.44 0.1 1 498 98 118 ARG N N 118.63 0.1 1 499 99 119 LEU H H 7.903 0.02 1 500 99 119 LEU C C 178.07 0.1 1 501 99 119 LEU CA C 55.89 0.1 1 502 99 119 LEU CB C 42.07 0.1 1 503 99 119 LEU N N 116.92 0.1 1 504 100 120 THR H H 7.566 0.02 1 505 100 120 THR C C 174.62 0.1 1 506 100 120 THR CA C 61.44 0.1 1 507 100 120 THR CB C 69.84 0.1 1 508 100 120 THR N N 108.43 0.1 1 509 101 121 SER H H 7.584 0.02 1 510 101 121 SER C C 173.68 0.1 1 511 101 121 SER CA C 58.45 0.1 1 512 101 121 SER CB C 63.35 0.1 1 513 101 121 SER N N 118.23 0.1 1 514 102 122 SER H H 7.799 0.02 1 515 102 122 SER CA C 59.75 0.1 1 516 102 122 SER CB C 64.17 0.1 1 517 102 122 SER N N 123.57 0.1 1 stop_ save_