data_18309 ####################### # 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 ; _BMRB_accession_number 18309 _BMRB_flat_file_name bmr18309.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" 91 "13C chemical shifts" 191 "15N chemical shifts" 91 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 18310 FliGn-FliFc 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 homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FliGn, chain 1' $FliGn 'FliGn, chain 2' $FliGn stop_ _System_molecular_weight 27000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . 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 2015-10-07 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 18310 FliGn 100.00 122 100.00 100.00 4.10e-80 GB AAD35312 "flagellar motor switch protein FliG [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.41e-60 GB ABQ46724 "flagellar motor switch protein FliG [Thermotoga petrophila RKU-1]" 83.61 335 97.06 99.02 2.15e-58 GB ACB09081 "flagellar motor switch protein FliG [Thermotoga sp. RQ2]" 83.61 335 97.06 99.02 2.39e-58 GB ADA66942 "flagellar motor switch protein FliG [Thermotoga naphthophila RKU-10]" 83.61 335 97.06 99.02 2.15e-58 GB AGL49144 "Flagellar motor switch protein FliG [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.41e-60 REF NP_228035 "flagellar motor switch protein G [Thermotoga maritima MSB8]" 83.61 335 100.00 100.00 2.41e-60 REF WP_004082903 "flagellar motor switch protein FliG [Thermotoga maritima]" 83.61 335 100.00 100.00 2.41e-60 REF WP_008193872 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.10e-58 REF WP_011943308 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.15e-58 REF WP_012310706 "MULTISPECIES: flagellar motor switch protein FliG [Thermotoga]" 83.61 335 97.06 99.02 2.39e-58 SP Q9WY63 "RecName: Full=Flagellar motor switch protein FliG" 83.61 335 100.00 100.00 2.41e-60 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 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' . Escherichia coli . pJY5 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-100% 13C; U-100% 15N]' '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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 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 HNCACB' '3D CBCA(CO)NH' 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, chain 1' _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 -10 10 HIS CA C 56.18 0.1 1 2 -10 10 HIS CB C 30.53 0.1 1 3 -9 11 ALA H H 8.298 0.02 1 4 -9 11 ALA CA C 52.97 0.1 1 5 -9 11 ALA CB C 19.27 0.1 1 6 -9 11 ALA N N 125.53 0.1 1 7 -8 12 SER H H 8.266 0.02 1 8 -8 12 SER CA C 58.72 0.1 1 9 -8 12 SER CB C 63.81 0.1 1 10 -8 12 SER N N 114.66 0.1 1 11 -7 13 GLU H H 8.320 0.02 1 12 -7 13 GLU CA C 56.99 0.1 1 13 -7 13 GLU CB C 30.29 0.1 1 14 -7 13 GLU N N 122.13 0.1 1 15 -6 14 ASN H H 8.257 0.02 1 16 -6 14 ASN CA C 53.47 0.1 1 17 -6 14 ASN CB C 39.02 0.1 1 18 -6 14 ASN N N 118.78 0.1 1 19 -5 15 LEU H H 7.964 0.02 1 20 -5 15 LEU CA C 55.57 0.1 1 21 -5 15 LEU CB C 42.48 0.1 1 22 -5 15 LEU N N 121.84 0.1 1 23 -4 16 TYR H H 7.966 0.02 1 24 -4 16 TYR CA C 57.97 0.1 1 25 -4 16 TYR CB C 38.79 0.1 1 26 -4 16 TYR N N 119.44 0.1 1 27 -3 17 PHE H H 8.014 0.02 1 28 -3 17 PHE CA C 57.78 0.1 1 29 -3 17 PHE CB C 39.53 0.1 1 30 -3 17 PHE N N 120.84 0.1 1 31 -2 18 GLN H H 8.172 0.02 1 32 -2 18 GLN CA C 56.27 0.1 1 33 -2 18 GLN CB C 29.39 0.1 1 34 -2 18 GLN N N 121.72 0.1 1 35 -1 19 GLY H H 7.842 0.02 1 36 -1 19 GLY CA C 45.39 0.1 1 37 -1 19 GLY N N 108.72 0.1 1 38 0 20 HIS H H 8.097 0.02 1 39 0 20 HIS CB C 30.58 0.1 1 40 0 20 HIS N N 118.82 0.1 1 41 2 22 PRO CA C 63.33 0.1 1 42 2 22 PRO CB C 32.07 0.1 1 43 3 23 GLU H H 8.491 0.02 1 44 3 23 GLU CA C 56.94 0.1 1 45 3 23 GLU CB C 30.41 0.1 1 46 3 23 GLU N N 121.02 0.1 1 47 4 24 LYS H H 8.173 0.02 1 48 4 24 LYS CA C 56.14 0.1 1 49 4 24 LYS CB C 33.09 0.1 1 50 4 24 LYS N N 122.09 0.1 1 51 5 25 LYS H H 8.208 0.02 1 52 5 25 LYS CA C 56.32 0.1 1 53 5 25 LYS CB C 33.18 0.1 1 54 5 25 LYS N N 123.01 0.1 1 55 6 26 ILE H H 8.275 0.02 1 56 6 26 ILE CA C 61.08 0.1 1 57 6 26 ILE CB C 38.83 0.1 1 58 6 26 ILE N N 122.48 0.1 1 59 12 32 ALA CA C 55.59 0.1 1 60 12 32 ALA CB C 18.67 0.1 1 61 13 33 ALA H H 7.904 0.02 1 62 13 33 ALA CA C 55.72 0.1 1 63 13 33 ALA CB C 19.64 0.1 1 64 13 33 ALA N N 119.29 0.1 1 65 14 34 VAL H H 8.378 0.02 1 66 14 34 VAL CA C 67.30 0.1 1 67 14 34 VAL CB C 31.67 0.1 1 68 14 34 VAL N N 117.70 0.1 1 69 18 38 ALA H H 8.412 0.02 1 70 18 38 ALA CA C 54.49 0.1 1 71 18 38 ALA CB C 18.26 0.1 1 72 18 38 ALA N N 121.94 0.1 1 73 19 39 LEU H H 7.981 0.02 1 74 19 39 LEU CA C 56.70 0.1 1 75 19 39 LEU CB C 43.74 0.1 1 76 19 39 LEU N N 114.63 0.1 1 77 20 40 GLY H H 6.941 0.02 1 78 20 40 GLY CA C 44.84 0.1 1 79 20 40 GLY N N 105.91 0.1 1 80 21 41 PRO CA C 66.07 0.1 1 81 21 41 PRO CB C 31.87 0.1 1 82 22 42 GLU H H 7.989 0.02 1 83 22 42 GLU CA C 60.33 0.1 1 84 22 42 GLU CB C 29.21 0.1 1 85 22 42 GLU N N 116.85 0.1 1 86 23 43 LYS H H 8.705 0.02 1 87 23 43 LYS CA C 58.88 0.1 1 88 23 43 LYS CB C 32.99 0.1 1 89 23 43 LYS N N 119.30 0.1 1 90 24 44 ALA H H 8.556 0.02 1 91 24 44 ALA CA C 55.57 0.1 1 92 24 44 ALA CB C 19.47 0.1 1 93 24 44 ALA N N 119.60 0.1 1 94 25 45 ALA H H 8.078 0.02 1 95 25 45 ALA CA C 55.33 0.1 1 96 25 45 ALA CB C 19.50 0.1 1 97 25 45 ALA N N 119.33 0.1 1 98 26 46 GLN H H 7.162 0.02 1 99 26 46 GLN CA C 58.65 0.1 1 100 26 46 GLN CB C 28.44 0.1 1 101 26 46 GLN N N 114.79 0.1 1 102 27 47 VAL H H 7.225 0.02 1 103 27 47 VAL CA C 66.23 0.1 1 104 27 47 VAL CB C 32.20 0.1 1 105 27 47 VAL N N 115.27 0.1 1 106 28 48 MET H H 8.184 0.02 1 107 28 48 MET CA C 58.79 0.1 1 108 28 48 MET CB C 33.18 0.1 1 109 28 48 MET N N 116.23 0.1 1 110 29 49 LYS H H 7.286 0.02 1 111 29 49 LYS CA C 58.13 0.1 1 112 29 49 LYS CB C 32.41 0.1 1 113 29 49 LYS N N 112.12 0.1 1 114 30 50 HIS H H 7.640 0.02 1 115 30 50 HIS CA C 55.81 0.1 1 116 30 50 HIS CB C 30.24 0.1 1 117 30 50 HIS N N 115.42 0.1 1 118 31 51 LEU H H 7.180 0.02 1 119 31 51 LEU CA C 53.49 0.1 1 120 31 51 LEU CB C 44.00 0.1 1 121 31 51 LEU N N 118.12 0.1 1 122 32 52 ASP H H 8.215 0.02 1 123 32 52 ASP CA C 53.75 0.1 1 124 32 52 ASP CB C 40.98 0.1 1 125 32 52 ASP N N 119.08 0.1 1 126 33 53 GLU H H 8.417 0.02 1 127 33 53 GLU CA C 60.61 0.1 1 128 33 53 GLU CB C 30.08 0.1 1 129 33 53 GLU N N 119.93 0.1 1 130 34 54 GLU H H 8.451 0.02 1 131 34 54 GLU CA C 59.58 0.1 1 132 34 54 GLU CB C 29.64 0.1 1 133 34 54 GLU N N 118.47 0.1 1 134 35 55 THR H H 8.175 0.02 1 135 35 55 THR CA C 67.28 0.1 1 136 35 55 THR N N 118.29 0.1 1 137 36 56 VAL H H 8.414 0.02 1 138 36 56 VAL CA C 68.14 0.1 1 139 36 56 VAL CB C 31.98 0.1 1 140 36 56 VAL N N 122.19 0.1 1 141 37 57 GLU H H 7.835 0.02 1 142 37 57 GLU CA C 60.67 0.1 1 143 37 57 GLU CB C 29.67 0.1 1 144 37 57 GLU N N 116.39 0.1 1 145 38 58 GLN H H 7.863 0.02 1 146 38 58 GLN CA C 59.12 0.1 1 147 38 58 GLN CB C 28.82 0.1 1 148 38 58 GLN N N 115.69 0.1 1 149 39 59 LEU H H 8.580 0.02 1 150 39 59 LEU CA C 57.68 0.1 1 151 39 59 LEU CB C 41.79 0.1 1 152 39 59 LEU N N 118.44 0.1 1 153 40 60 VAL H H 8.554 0.02 1 154 40 60 VAL CA C 67.99 0.1 1 155 40 60 VAL CB C 30.89 0.1 1 156 40 60 VAL N N 120.25 0.1 1 157 41 61 VAL H H 7.515 0.02 1 158 41 61 VAL CA C 66.89 0.1 1 159 41 61 VAL N N 118.34 0.1 1 160 42 62 GLU H H 7.560 0.02 1 161 42 62 GLU CA C 59.02 0.1 1 162 42 62 GLU CB C 30.12 0.1 1 163 42 62 GLU N N 118.15 0.1 1 164 43 63 ILE H H 8.801 0.02 1 165 43 63 ILE CA C 66.05 0.1 1 166 43 63 ILE CB C 38.65 0.1 1 167 43 63 ILE N N 118.67 0.1 1 168 44 64 ALA H H 8.458 0.02 1 169 44 64 ALA CA C 54.76 0.1 1 170 44 64 ALA CB C 18.13 0.1 1 171 44 64 ALA N N 121.10 0.1 1 172 45 65 ASN H H 7.502 0.02 1 173 45 65 ASN CA C 53.55 0.1 1 174 45 65 ASN CB C 40.20 0.1 1 175 45 65 ASN N N 114.35 0.1 1 176 46 66 ILE H H 7.629 0.02 1 177 46 66 ILE CA C 62.19 0.1 1 178 46 66 ILE CB C 39.34 0.1 1 179 46 66 ILE N N 122.38 0.1 1 180 47 67 GLY CA C 45.45 0.1 1 181 48 68 ARG H H 8.207 0.02 1 182 48 68 ARG CA C 56.24 0.1 1 183 48 68 ARG CB C 31.09 0.1 1 184 48 68 ARG N N 123.21 0.1 1 185 49 69 VAL H H 8.500 0.02 1 186 49 69 VAL CA C 61.69 0.1 1 187 49 69 VAL CB C 33.16 0.1 1 188 49 69 VAL N N 125.21 0.1 1 189 50 70 THR H H 8.871 0.02 1 190 50 70 THR CA C 60.63 0.1 1 191 50 70 THR CB C 68.87 0.1 1 192 50 70 THR N N 119.43 0.1 1 193 51 71 PRO CA C 65.81 0.1 1 194 51 71 PRO CB C 31.87 0.1 1 195 52 72 GLU H H 8.676 0.02 1 196 52 72 GLU CA C 60.55 0.1 1 197 52 72 GLU CB C 28.95 0.1 1 198 52 72 GLU N N 117.14 0.1 1 199 53 73 GLU H H 7.711 0.02 1 200 53 73 GLU CA C 59.59 0.1 1 201 53 73 GLU CB C 29.98 0.1 1 202 53 73 GLU N N 121.56 0.1 1 203 54 74 LYS H H 7.955 0.02 1 204 54 74 LYS CA C 60.59 0.1 1 205 54 74 LYS CB C 32.69 0.1 1 206 54 74 LYS N N 117.70 0.1 1 207 55 75 LYS H H 8.023 0.02 1 208 55 75 LYS CA C 60.17 0.1 1 209 55 75 LYS CB C 32.64 0.1 1 210 55 75 LYS N N 117.41 0.1 1 211 56 76 GLN H H 7.808 0.02 1 212 56 76 GLN CA C 59.19 0.1 1 213 56 76 GLN CB C 28.64 0.1 1 214 56 76 GLN N N 117.74 0.1 1 215 57 77 VAL H H 7.978 0.02 1 216 57 77 VAL CA C 66.59 0.1 1 217 57 77 VAL CB C 31.94 0.1 1 218 57 77 VAL N N 118.84 0.1 1 219 62 82 LEU CA C 56.36 0.1 1 220 62 82 LEU CB C 42.07 0.1 1 221 63 83 SER H H 7.849 0.02 1 222 63 83 SER CA C 60.60 0.1 1 223 63 83 SER CB C 63.08 0.1 1 224 63 83 SER N N 113.80 0.1 1 225 64 84 LEU H H 7.802 0.02 1 226 64 84 LEU CA C 56.82 0.1 1 227 64 84 LEU CB C 42.11 0.1 1 228 64 84 LEU N N 122.14 0.1 1 229 65 85 ALA H H 7.788 0.02 1 230 65 85 ALA CA C 53.08 0.1 1 231 65 85 ALA CB C 18.75 0.1 1 232 65 85 ALA N N 120.14 0.1 1 233 66 86 LYS H H 7.676 0.02 1 234 66 86 LYS CA C 56.74 0.1 1 235 66 86 LYS CB C 32.75 0.1 1 236 66 86 LYS N N 117.66 0.1 1 237 67 87 ALA H H 7.807 0.02 1 238 67 87 ALA CA C 53.30 0.1 1 239 67 87 ALA CB C 19.20 0.1 1 240 67 87 ALA N N 122.94 0.1 1 241 68 88 LYS H H 8.064 0.02 1 242 68 88 LYS CA C 57.18 0.1 1 243 68 88 LYS CB C 32.90 0.1 1 244 68 88 LYS N N 118.87 0.1 1 245 69 89 GLU H H 8.202 0.02 1 246 69 89 GLU CA C 53.71 0.1 1 247 69 89 GLU CB C 30.16 0.1 1 248 69 89 GLU N N 119.18 0.1 1 249 70 90 MET CA C 55.37 0.1 1 250 70 90 MET CB C 33.47 0.1 1 251 71 91 ILE H H 8.209 0.02 1 252 71 91 ILE CA C 61.39 0.1 1 253 71 91 ILE CB C 38.74 0.1 1 254 71 91 ILE N N 122.19 0.1 1 255 72 92 SER H H 8.378 0.02 1 256 72 92 SER CA C 58.15 0.1 1 257 72 92 SER CB C 64.64 0.1 1 258 72 92 SER N N 121.42 0.1 1 259 73 93 GLU H H 8.116 0.02 1 260 73 93 GLU CA C 55.72 0.1 1 261 73 93 GLU CB C 32.50 0.1 1 262 73 93 GLU N N 122.73 0.1 1 263 74 94 GLY H H 8.026 0.02 1 264 74 94 GLY CA C 44.51 0.1 1 265 74 94 GLY N N 108.49 0.1 1 266 75 95 GLY H H 7.920 0.02 1 267 75 95 GLY CA C 44.49 0.1 1 268 75 95 GLY N N 110.17 0.1 1 269 76 96 ILE H H 8.909 0.02 1 270 76 96 ILE CA C 63.30 0.1 1 271 76 96 ILE CB C 38.30 0.1 1 272 76 96 ILE N N 121.47 0.1 1 273 77 97 GLU H H 8.690 0.02 1 274 77 97 GLU CA C 59.65 0.1 1 275 77 97 GLU CB C 28.61 0.1 1 276 77 97 GLU N N 120.38 0.1 1 277 78 98 TYR H H 7.378 0.02 1 278 78 98 TYR CA C 62.10 0.1 1 279 78 98 TYR CB C 38.36 0.1 1 280 78 98 TYR N N 120.81 0.1 1 281 79 99 ALA H H 8.017 0.02 1 282 79 99 ALA CA C 55.71 0.1 1 283 79 99 ALA CB C 17.83 0.1 1 284 79 99 ALA N N 118.79 0.1 1 285 80 100 LYS H H 8.586 0.02 1 286 80 100 LYS CA C 61.04 0.1 1 287 80 100 LYS CB C 32.69 0.1 1 288 80 100 LYS N N 116.26 0.1 1 289 81 101 LYS H H 7.490 0.02 1 290 81 101 LYS CA C 59.36 0.1 1 291 81 101 LYS CB C 32.45 0.1 1 292 81 101 LYS N N 118.72 0.1 1 293 82 102 VAL H H 7.842 0.02 1 294 82 102 VAL CA C 66.65 0.1 1 295 82 102 VAL CB C 31.79 0.1 1 296 82 102 VAL N N 118.04 0.1 1 297 83 103 LEU H H 8.433 0.02 1 298 83 103 LEU CA C 57.88 0.1 1 299 83 103 LEU CB C 43.55 0.1 1 300 83 103 LEU N N 117.80 0.1 1 301 84 104 GLU H H 8.579 0.02 1 302 84 104 GLU CA C 59.93 0.1 1 303 84 104 GLU CB C 29.30 0.1 1 304 84 104 GLU N N 119.50 0.1 1 305 85 105 LYS H H 7.512 0.02 1 306 85 105 LYS CA C 58.61 0.1 1 307 85 105 LYS CB C 32.58 0.1 1 308 85 105 LYS N N 119.07 0.1 1 309 86 106 ALA H H 8.089 0.02 1 310 86 106 ALA CA C 54.80 0.1 1 311 86 106 ALA CB C 19.08 0.1 1 312 86 106 ALA N N 120.28 0.1 1 313 87 107 PHE H H 8.322 0.02 1 314 87 107 PHE CA C 56.62 0.1 1 315 87 107 PHE CB C 42.66 0.1 1 316 87 107 PHE N N 110.91 0.1 1 317 88 108 GLY H H 7.754 0.02 1 318 88 108 GLY CA C 44.49 0.1 1 319 88 108 GLY N N 110.87 0.1 1 320 89 109 PRO CA C 65.88 0.1 1 321 89 109 PRO CB C 32.21 0.1 1 322 90 110 GLU H H 8.248 0.02 1 323 90 110 GLU CA C 60.12 0.1 1 324 90 110 GLU CB C 29.17 0.1 1 325 90 110 GLU N N 119.37 0.1 1 326 91 111 ARG H H 8.758 0.02 1 327 91 111 ARG CA C 58.84 0.1 1 328 91 111 ARG CB C 29.69 0.1 1 329 91 111 ARG N N 120.22 0.1 1 330 92 112 ALA H H 7.874 0.02 1 331 92 112 ALA CA C 55.93 0.1 1 332 92 112 ALA CB C 19.79 0.1 1 333 92 112 ALA N N 118.20 0.1 1 334 93 113 ARG H H 7.725 0.02 1 335 93 113 ARG CA C 59.59 0.1 1 336 93 113 ARG CB C 29.84 0.1 1 337 93 113 ARG N N 115.91 0.1 1 338 94 114 LYS H H 7.519 0.02 1 339 94 114 LYS CA C 59.11 0.1 1 340 94 114 LYS CB C 32.25 0.1 1 341 94 114 LYS N N 118.15 0.1 1 342 95 115 ILE H H 7.890 0.02 1 343 95 115 ILE CA C 65.43 0.1 1 344 95 115 ILE CB C 38.50 0.1 1 345 95 115 ILE N N 119.24 0.1 1 346 96 116 ILE H H 7.908 0.02 1 347 96 116 ILE CA C 63.35 0.1 1 348 96 116 ILE CB C 36.50 0.1 1 349 96 116 ILE N N 118.10 0.1 1 350 97 117 GLU H H 8.514 0.02 1 351 97 117 GLU CA C 59.55 0.1 1 352 97 117 GLU CB C 29.64 0.1 1 353 97 117 GLU N N 120.94 0.1 1 354 98 118 ARG H H 7.520 0.02 1 355 98 118 ARG CA C 58.48 0.1 1 356 98 118 ARG CB C 30.18 0.1 1 357 98 118 ARG N N 118.04 0.1 1 358 99 119 LEU H H 7.658 0.02 1 359 99 119 LEU CA C 56.34 0.1 1 360 99 119 LEU CB C 42.84 0.1 1 361 99 119 LEU N N 117.69 0.1 1 362 100 120 THR H H 7.744 0.02 1 363 100 120 THR CA C 61.98 0.1 1 364 100 120 THR CB C 70.28 0.1 1 365 100 120 THR N N 109.46 0.1 1 366 101 121 SER H H 7.845 0.02 1 367 101 121 SER CA C 58.65 0.1 1 368 101 121 SER CB C 64.24 0.1 1 369 101 121 SER N N 117.67 0.1 1 370 102 122 SER H H 7.887 0.02 1 371 102 122 SER CA C 60.15 0.1 1 372 102 122 SER CB C 64.97 0.1 1 373 102 122 SER N N 123.01 0.1 1 stop_ save_