data_18668 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Escherichia coli Ferrous Iron transport protein A (FeoA) ; _BMRB_accession_number 18668 _BMRB_flat_file_name bmr18668.str _Entry_type original _Submission_date 2012-08-16 _Accession_date 2012-08-16 _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 Lau Cheryl K. . 2 Ishida Hiroaki . . 3 Liu Zhihong . . 4 Vogel Hans J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 69 "13C chemical shifts" 223 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-11-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Escherichia coli FeoA and its potential role in bacterial ferrous iron transport.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23104801 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lau Cheryl K.Y. . 2 Ishida Hiroaki . . 3 Liu Zhihong . . 4 Vogel Hans J. . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_name_full 'Journal of bacteriology' _Journal_volume 195 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 46 _Page_last 55 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FeoA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FeoA $FeoA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FeoA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FeoA _Molecular_mass 9436.995 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; MQYTPDTAWKITGFSREISP AYRQKLLSLGMLPGSSFNVV RVAPLGDPIHIETRRVSLVL RKKDLALLEVEAVSSLEHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 TYR 4 4 THR 5 5 PRO 6 6 ASP 7 7 THR 8 8 ALA 9 9 TRP 10 10 LYS 11 11 ILE 12 12 THR 13 13 GLY 14 14 PHE 15 15 SER 16 16 ARG 17 17 GLU 18 18 ILE 19 19 SER 20 20 PRO 21 21 ALA 22 22 TYR 23 23 ARG 24 24 GLN 25 25 LYS 26 26 LEU 27 27 LEU 28 28 SER 29 29 LEU 30 30 GLY 31 31 MET 32 32 LEU 33 33 PRO 34 34 GLY 35 35 SER 36 36 SER 37 37 PHE 38 38 ASN 39 39 VAL 40 40 VAL 41 41 ARG 42 42 VAL 43 43 ALA 44 44 PRO 45 45 LEU 46 46 GLY 47 47 ASP 48 48 PRO 49 49 ILE 50 50 HIS 51 51 ILE 52 52 GLU 53 53 THR 54 54 ARG 55 55 ARG 56 56 VAL 57 57 SER 58 58 LEU 59 59 VAL 60 60 LEU 61 61 ARG 62 62 LYS 63 63 LYS 64 64 ASP 65 65 LEU 66 66 ALA 67 67 LEU 68 68 LEU 69 69 GLU 70 70 VAL 71 71 GLU 72 72 ALA 73 73 VAL 74 74 SER 75 75 SER 76 76 LEU 77 77 GLU 78 78 HIS 79 79 HIS 80 80 HIS 81 81 HIS 82 82 HIS 83 83 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 PDB 2LX9 "Solution Structure Of Escherichia Coli Ferrous Iron Transport Protein A (Feoa)" 100.00 83 100.00 100.00 2.14e-52 DBJ BAB37673 "ferrous iron transport protein A [Escherichia coli O157:H7 str. Sakai]" 90.36 75 98.67 98.67 1.64e-45 DBJ BAE77883 "ferrous iron transporter, protein A [Escherichia coli str. K12 substr. W3110]" 90.36 75 98.67 98.67 1.64e-45 DBJ BAG79198 "ferrous iron transport protein A [Escherichia coli SE11]" 90.36 75 98.67 98.67 1.64e-45 DBJ BAI27666 "ferrous iron transporter protein A FeoA [Escherichia coli O26:H11 str. 11368]" 90.36 75 98.67 98.67 1.64e-45 DBJ BAI32836 "ferrous iron transporter protein A FeoA [Escherichia coli O103:H2 str. 12009]" 90.36 75 98.67 98.67 1.64e-45 EMBL CAA50386 "feoA [Escherichia coli K-12]" 90.36 75 98.67 98.67 1.64e-45 EMBL CAQ33729 "ferrous iron transport protein A [Escherichia coli BL21(DE3)]" 90.36 75 98.67 98.67 1.64e-45 EMBL CAR00351 "ferrous iron transporter, protein A [Escherichia coli IAI1]" 90.36 75 98.67 98.67 1.64e-45 EMBL CAR05009 "ferrous iron transporter, protein A [Escherichia coli S88]" 90.36 75 98.67 98.67 1.64e-45 EMBL CAR10059 "ferrous iron transporter, protein A [Escherichia coli ED1a]" 90.36 75 98.67 98.67 1.64e-45 GB AAA58206 "CG Site No. 28964 [Escherichia coli str. K-12 substr. MG1655]" 90.36 75 98.67 98.67 1.64e-45 GB AAC76433 "ferrous iron transporter, protein A [Escherichia coli str. K-12 substr. MG1655]" 90.36 75 98.67 98.67 1.64e-45 GB AAG58509 "ferrous iron transport protein A [Escherichia coli O157:H7 str. EDL933]" 90.36 75 98.67 98.67 1.64e-45 GB AAN44888 "ferrous iron transport protein A [Shigella flexneri 2a str. 301]" 90.36 75 97.33 98.67 1.06e-44 GB AAN82623 "Ferrous iron transport protein A [Escherichia coli CFT073]" 90.36 75 98.67 98.67 1.64e-45 REF NP_312277 "ferrous iron transport protein A [Escherichia coli O157:H7 str. Sakai]" 90.36 75 98.67 98.67 1.64e-45 REF NP_417867 "ferrous iron transporter, protein A [Escherichia coli str. K-12 substr. MG1655]" 90.36 75 98.67 98.67 1.64e-45 REF NP_709181 "ferrous iron transport protein A [Shigella flexneri 2a str. 301]" 90.36 75 97.33 98.67 1.06e-44 REF WP_001200452 "iron transporter [Escherichia coli]" 90.36 75 97.33 97.33 3.33e-44 REF WP_001200453 "iron transporter [Shigella flexneri]" 90.36 75 97.33 98.67 1.06e-44 SP P0AEL3 "RecName: Full=Ferrous iron transport protein A" 90.36 75 98.67 98.67 1.64e-45 SP P0AEL4 "RecName: Full=Ferrous iron transport protein A" 90.36 75 98.67 98.67 1.64e-45 SP P0AEL5 "RecName: Full=Ferrous iron transport protein A" 90.36 75 98.67 98.67 1.64e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $FeoA enterobacteria 562 Bacteria . Escherichia coli K12 FeoA 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 $FeoA 'recombinant technology' . Escherichia coli . pET30a 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 HEPES 20 mM 'natural abundance' DSS 1 mM 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' $FeoA 0.8 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.26 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing 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_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 100 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 FeoA _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 GLN C C 174.8670 0.70 1 2 2 2 GLN CA C 54.9012 0.70 1 3 2 2 GLN CB C 29.5605 0.70 1 4 3 3 TYR H H 8.3277 0.05 1 5 3 3 TYR C C 174.4983 0.70 1 6 3 3 TYR CA C 59.4034 0.70 1 7 3 3 TYR CB C 38.3163 0.70 1 8 3 3 TYR N N 122.9422 0.50 1 9 4 4 THR H H 7.4337 0.05 1 10 4 4 THR C C 171.5740 0.70 1 11 4 4 THR CA C 58.9379 0.70 1 12 4 4 THR CB C 69.7448 0.70 1 13 4 4 THR N N 113.5175 0.50 1 14 5 5 PRO C C 175.1915 0.70 1 15 5 5 PRO CA C 64.1226 0.70 1 16 5 5 PRO CB C 31.9755 0.70 1 17 6 6 ASP H H 8.7683 0.05 1 18 6 6 ASP C C 175.5021 0.70 1 19 6 6 ASP CA C 55.8262 0.70 1 20 6 6 ASP CB C 39.0064 0.70 1 21 6 6 ASP N N 116.0113 0.50 1 22 7 7 THR H H 7.4642 0.05 1 23 7 7 THR C C 171.9814 0.70 1 24 7 7 THR CA C 60.1199 0.70 1 25 7 7 THR CB C 72.1482 0.70 1 26 7 7 THR N N 124.4034 0.50 1 27 8 8 ALA H H 7.9270 0.05 1 28 8 8 ALA C C 175.9591 0.70 1 29 8 8 ALA CA C 50.6821 0.70 1 30 8 8 ALA CB C 21.9060 0.70 1 31 8 8 ALA N N 124.1999 0.50 1 32 9 9 TRP H H 8.3681 0.05 1 33 9 9 TRP C C 173.4734 0.70 1 34 9 9 TRP CA C 55.9067 0.70 1 35 9 9 TRP CB C 32.9446 0.70 1 36 9 9 TRP N N 120.0433 0.50 1 37 10 10 LYS H H 9.3966 0.05 1 38 10 10 LYS C C 176.1819 0.70 1 39 10 10 LYS CA C 54.3476 0.70 1 40 10 10 LYS CB C 34.9766 0.70 1 41 10 10 LYS N N 122.7609 0.50 1 42 11 11 ILE H H 8.9394 0.05 1 43 11 11 ILE C C 177.1475 0.70 1 44 11 11 ILE CA C 62.1421 0.70 1 45 11 11 ILE CB C 38.1689 0.70 1 46 11 11 ILE N N 125.5791 0.50 1 47 12 12 THR H H 9.6961 0.05 1 48 12 12 THR C C 175.3401 0.70 1 49 12 12 THR CA C 61.9736 0.70 1 50 12 12 THR CB C 68.6726 0.70 1 51 12 12 THR N N 121.7040 0.50 1 52 13 13 GLY H H 7.7003 0.05 1 53 13 13 GLY C C 169.5712 0.70 1 54 13 13 GLY CA C 45.3241 0.70 1 55 13 13 GLY N N 109.8988 0.50 1 56 14 14 PHE H H 8.5201 0.05 1 57 14 14 PHE C C 175.5382 0.70 1 58 14 14 PHE CA C 55.4852 0.70 1 59 14 14 PHE CB C 42.2136 0.70 1 60 14 14 PHE N N 116.9269 0.50 1 61 15 15 SER H H 8.7620 0.05 1 62 15 15 SER C C 176.6523 0.70 1 63 15 15 SER CA C 58.0969 0.70 1 64 15 15 SER CB C 64.2362 0.70 1 65 15 15 SER N N 116.0097 0.50 1 66 16 16 ARG H H 8.9455 0.05 1 67 16 16 ARG C C 177.1773 0.70 1 68 16 16 ARG CA C 58.1464 0.70 1 69 16 16 ARG CB C 29.7846 0.70 1 70 16 16 ARG N N 125.9755 0.50 1 71 17 17 GLU H H 8.3844 0.05 1 72 17 17 GLU C C 176.5584 0.70 1 73 17 17 GLU CA C 56.0544 0.70 1 74 17 17 GLU CB C 29.4712 0.70 1 75 17 17 GLU N N 116.6265 0.50 1 76 18 18 ILE H H 7.4828 0.05 1 77 18 18 ILE C C 173.8788 0.70 1 78 18 18 ILE CA C 62.1337 0.70 1 79 18 18 ILE CB C 39.0905 0.70 1 80 18 18 ILE N N 121.0746 0.50 1 81 19 19 SER H H 8.3842 0.05 1 82 19 19 SER C C 173.8050 0.70 1 83 19 19 SER CA C 56.4149 0.70 1 84 19 19 SER CB C 63.9839 0.70 1 85 19 19 SER N N 123.7750 0.50 1 86 20 20 PRO C C 179.4501 0.70 1 87 20 20 PRO CA C 65.9342 0.70 1 88 20 20 PRO CB C 31.6262 0.70 1 89 21 21 ALA H H 8.2627 0.05 1 90 21 21 ALA C C 180.7128 0.70 1 91 21 21 ALA CA C 55.0387 0.70 1 92 21 21 ALA CB C 18.3505 0.70 1 93 21 21 ALA N N 118.2520 0.50 1 94 22 22 TYR H H 7.9333 0.05 1 95 22 22 TYR C C 177.6179 0.70 1 96 22 22 TYR CA C 60.4990 0.70 1 97 22 22 TYR CB C 37.8320 0.70 1 98 22 22 TYR N N 121.2835 0.50 1 99 23 23 ARG H H 8.3690 0.05 1 100 23 23 ARG C C 177.3992 0.70 1 101 23 23 ARG CA C 59.9554 0.70 1 102 23 23 ARG CB C 29.8982 0.70 1 103 23 23 ARG N N 120.2491 0.50 1 104 24 24 GLN H H 7.8885 0.05 1 105 24 24 GLN C C 178.5578 0.70 1 106 24 24 GLN CA C 58.7697 0.70 1 107 24 24 GLN CB C 27.6530 0.70 1 108 24 24 GLN N N 115.6458 0.50 1 109 25 25 LYS H H 7.6874 0.05 1 110 25 25 LYS C C 179.2768 0.70 1 111 25 25 LYS CA C 59.5332 0.70 1 112 25 25 LYS CB C 31.7826 0.70 1 113 25 25 LYS N N 121.2307 0.50 1 114 26 26 LEU H H 8.1454 0.05 1 115 26 26 LEU C C 179.7720 0.70 1 116 26 26 LEU CA C 58.5186 0.70 1 117 26 26 LEU CB C 40.5283 0.70 1 118 26 26 LEU N N 119.6246 0.50 1 119 27 27 LEU H H 8.4666 0.05 1 120 27 27 LEU C C 181.7775 0.70 1 121 27 27 LEU CA C 58.7110 0.70 1 122 27 27 LEU CB C 41.3710 0.70 1 123 27 27 LEU N N 120.2223 0.50 1 124 28 28 SER H H 8.3039 0.05 1 125 28 28 SER C C 175.5836 0.70 1 126 28 28 SER CA C 61.8474 0.70 1 127 28 28 SER CB C 63.0268 0.70 1 128 28 28 SER N N 117.3933 0.50 1 129 29 29 LEU H H 7.4493 0.05 1 130 29 29 LEU C C 176.6401 0.70 1 131 29 29 LEU CA C 55.3216 0.70 1 132 29 29 LEU CB C 42.9591 0.70 1 133 29 29 LEU N N 121.0887 0.50 1 134 30 30 GLY H H 7.8340 0.05 1 135 30 30 GLY C C 175.2658 0.70 1 136 30 30 GLY CA C 45.3734 0.70 1 137 30 30 GLY N N 104.9446 0.50 1 138 31 31 MET H H 7.9795 0.05 1 139 31 31 MET C C 172.2452 0.70 1 140 31 31 MET CA C 53.2943 0.70 1 141 31 31 MET CB C 29.8360 0.70 1 142 31 31 MET N N 122.8029 0.50 1 143 32 32 LEU H H 6.9687 0.05 1 144 32 32 LEU C C 175.6867 0.70 1 145 32 32 LEU CA C 52.4438 0.70 1 146 32 32 LEU CB C 42.8839 0.70 1 147 32 32 LEU N N 117.4849 0.50 1 148 33 33 PRO C C 176.7006 0.70 1 149 33 33 PRO CA C 64.1316 0.70 1 150 33 33 PRO CB C 30.5010 0.70 1 151 34 34 GLY H H 9.4423 0.05 1 152 34 34 GLY C C 174.3627 0.70 1 153 34 34 GLY CA C 45.1750 0.70 1 154 34 34 GLY N N 114.6098 0.50 1 155 35 35 SER H H 8.4712 0.05 1 156 35 35 SER C C 172.0224 0.70 1 157 35 35 SER CA C 58.7734 0.70 1 158 35 35 SER CB C 65.1901 0.70 1 159 35 35 SER N N 118.2776 0.50 1 160 36 36 SER H H 8.5301 0.05 1 161 36 36 SER C C 174.1715 0.70 1 162 36 36 SER CA C 57.0003 0.70 1 163 36 36 SER CB C 66.8787 0.70 1 164 36 36 SER N N 113.6598 0.50 1 165 37 37 PHE H H 9.2313 0.05 1 166 37 37 PHE C C 171.9672 0.70 1 167 37 37 PHE CA C 55.9103 0.70 1 168 37 37 PHE CB C 42.7068 0.70 1 169 37 37 PHE N N 117.8038 0.50 1 170 38 38 ASN H H 9.1506 0.05 1 171 38 38 ASN C C 175.7115 0.70 1 172 38 38 ASN CA C 51.4279 0.70 1 173 38 38 ASN CB C 41.4652 0.70 1 174 38 38 ASN N N 117.0778 0.50 1 175 39 39 VAL H H 9.2776 0.05 1 176 39 39 VAL C C 175.9096 0.70 1 177 39 39 VAL CA C 63.2644 0.70 1 178 39 39 VAL CB C 31.5024 0.70 1 179 39 39 VAL N N 123.7347 0.50 1 180 40 40 VAL H H 9.1766 0.05 1 181 40 40 VAL C C 176.2631 0.70 1 182 40 40 VAL CA C 63.7009 0.70 1 183 40 40 VAL CB C 32.9867 0.70 1 184 40 40 VAL N N 127.2189 0.50 1 185 41 41 ARG H H 7.8237 0.05 1 186 41 41 ARG C C 172.7156 0.70 1 187 41 41 ARG CA C 55.6539 0.70 1 188 41 41 ARG CB C 33.2815 0.70 1 189 41 41 ARG N N 116.5638 0.50 1 190 42 42 VAL H H 8.8244 0.05 1 191 42 42 VAL C C 174.8944 0.70 1 192 42 42 VAL CA C 61.6365 0.70 1 193 42 42 VAL CB C 34.3349 0.70 1 194 42 42 VAL N N 122.8026 0.50 1 195 43 43 ALA H H 7.8934 0.05 1 196 43 43 ALA C C 176.0746 0.70 1 197 43 43 ALA CA C 52.3479 0.70 1 198 43 43 ALA CB C 17.2443 0.70 1 199 43 43 ALA N N 129.5381 0.50 1 200 44 44 PRO C C 177.9893 0.70 1 201 44 44 PRO CA C 66.1704 0.70 1 202 44 44 PRO CB C 31.7739 0.70 1 203 45 45 LEU H H 8.4515 0.05 1 204 45 45 LEU C C 178.2417 0.70 1 205 45 45 LEU CA C 55.5650 0.70 1 206 45 45 LEU CB C 40.7897 0.70 1 207 45 45 LEU N N 114.7989 0.50 1 208 46 46 GLY H H 8.6282 0.05 1 209 46 46 GLY C C 171.7515 0.70 1 210 46 46 GLY CA C 45.7343 0.70 1 211 46 46 GLY N N 108.0553 0.50 1 212 47 47 ASP H H 6.7647 0.05 1 213 47 47 ASP C C 174.4735 0.70 1 214 47 47 ASP CA C 51.8551 0.70 1 215 47 47 ASP CB C 45.3979 0.70 1 216 47 47 ASP N N 117.3358 0.50 1 217 48 48 PRO C C 173.7555 0.70 1 218 48 48 PRO CA C 63.9539 0.70 1 219 48 48 PRO CB C 35.5145 0.70 1 220 49 49 ILE H H 8.9101 0.05 1 221 49 49 ILE C C 173.8928 0.70 1 222 49 49 ILE CA C 61.6893 0.70 1 223 49 49 ILE CB C 40.4864 0.70 1 224 49 49 ILE N N 117.1891 0.50 1 225 50 50 HIS H H 9.0809 0.05 1 226 50 50 HIS C C 175.6867 0.70 1 227 50 50 HIS CA C 55.3117 0.70 1 228 50 50 HIS CB C 31.1646 0.70 1 229 50 50 HIS N N 126.9806 0.50 1 230 51 51 ILE H H 9.2917 0.05 1 231 51 51 ILE C C 174.9934 0.70 1 232 51 51 ILE CA C 58.9422 0.70 1 233 51 51 ILE CB C 42.3939 0.70 1 234 51 51 ILE N N 119.2748 0.50 1 235 52 52 GLU H H 9.2973 0.05 1 236 52 52 GLU C C 176.1076 0.70 1 237 52 52 GLU CA C 55.2746 0.70 1 238 52 52 GLU CB C 33.4761 0.70 1 239 52 52 GLU N N 121.5746 0.50 1 240 53 53 THR H H 9.0531 0.05 1 241 53 53 THR C C 173.7802 0.70 1 242 53 53 THR CA C 59.6145 0.70 1 243 53 53 THR CB C 70.6780 0.70 1 244 53 53 THR N N 117.7660 0.50 1 245 54 54 ARG H H 9.1817 0.05 1 246 54 54 ARG C C 176.1527 0.70 1 247 54 54 ARG CA C 58.1823 0.70 1 248 54 54 ARG CB C 29.0539 0.70 1 249 54 54 ARG N N 121.9112 0.50 1 250 55 55 ARG H H 8.5343 0.05 1 251 55 55 ARG C C 175.8305 0.70 1 252 55 55 ARG CA C 57.3380 0.70 1 253 55 55 ARG CB C 30.9958 0.70 1 254 55 55 ARG N N 112.0030 0.50 1 255 56 56 VAL H H 8.0806 0.05 1 256 56 56 VAL C C 174.3007 0.70 1 257 56 56 VAL CA C 61.3837 0.70 1 258 56 56 VAL CB C 35.0511 0.70 1 259 56 56 VAL N N 118.1296 0.50 1 260 57 57 SER H H 8.3346 0.05 1 261 57 57 SER C C 173.6093 0.70 1 262 57 57 SER CA C 57.5918 0.70 1 263 57 57 SER CB C 64.2957 0.70 1 264 57 57 SER N N 119.4754 0.50 1 265 58 58 LEU H H 8.8224 0.05 1 266 58 58 LEU C C 174.3002 0.70 1 267 58 58 LEU CA C 54.2986 0.70 1 268 58 58 LEU CB C 46.5753 0.70 1 269 58 58 LEU N N 124.5517 0.50 1 270 59 59 VAL H H 8.1566 0.05 1 271 59 59 VAL C C 175.3754 0.70 1 272 59 59 VAL CA C 61.8814 0.70 1 273 59 59 VAL CB C 32.0090 0.70 1 274 59 59 VAL N N 121.7783 0.50 1 275 60 60 LEU H H 8.9386 0.05 1 276 60 60 LEU C C 175.3201 0.70 1 277 60 60 LEU CA C 52.7987 0.70 1 278 60 60 LEU CB C 45.7343 0.70 1 279 60 60 LEU N N 127.6844 0.50 1 280 61 61 ARG H H 8.8697 0.05 1 281 61 61 ARG C C 178.9054 0.70 1 282 61 61 ARG CA C 53.9262 0.70 1 283 61 61 ARG CB C 29.8689 0.70 1 284 61 61 ARG N N 118.1542 0.50 1 285 62 62 LYS H H 9.7763 0.05 1 286 62 62 LYS C C 179.3758 0.70 1 287 62 62 LYS CA C 61.0530 0.70 1 288 62 62 LYS CB C 32.0262 0.70 1 289 62 62 LYS N N 126.1913 0.50 1 290 63 63 LYS H H 8.6165 0.05 1 291 63 63 LYS C C 177.2218 0.70 1 292 63 63 LYS CA C 58.6889 0.70 1 293 63 63 LYS CB C 31.9245 0.70 1 294 63 63 LYS N N 115.8541 0.50 1 295 64 64 ASP H H 7.1508 0.05 1 296 64 64 ASP C C 177.9374 0.70 1 297 64 64 ASP CA C 56.9131 0.70 1 298 64 64 ASP CB C 41.3671 0.70 1 299 64 64 ASP N N 118.6859 0.50 1 300 65 65 LEU H H 7.5662 0.05 1 301 65 65 LEU C C 179.3758 0.70 1 302 65 65 LEU CA C 57.2127 0.70 1 303 65 65 LEU CB C 41.4132 0.70 1 304 65 65 LEU N N 118.6406 0.50 1 305 66 66 ALA H H 7.8692 0.05 1 306 66 66 ALA C C 177.8160 0.70 1 307 66 66 ALA CA C 53.6707 0.70 1 308 66 66 ALA CB C 18.1885 0.70 1 309 66 66 ALA N N 119.7244 0.50 1 310 67 67 LEU H H 7.2932 0.05 1 311 67 67 LEU C C 175.8393 0.70 1 312 67 67 LEU CA C 55.3167 0.70 1 313 67 67 LEU CB C 41.9188 0.70 1 314 67 67 LEU N N 116.6522 0.50 1 315 68 68 LEU H H 7.6110 0.05 1 316 68 68 LEU C C 176.2314 0.70 1 317 68 68 LEU CA C 54.1790 0.70 1 318 68 68 LEU CB C 43.4596 0.70 1 319 68 68 LEU N N 118.5724 0.50 1 320 69 69 GLU H H 8.3214 0.05 1 321 69 69 GLU C C 176.0829 0.70 1 322 69 69 GLU CA C 55.2376 0.70 1 323 69 69 GLU CB C 29.4191 0.70 1 324 69 69 GLU N N 122.7639 0.50 1 325 70 70 VAL H H 8.3711 0.05 1 326 70 70 VAL C C 175.8105 0.70 1 327 70 70 VAL CA C 58.9422 0.70 1 328 70 70 VAL CB C 37.8729 0.70 1 329 70 70 VAL N N 115.1267 0.50 1 330 71 71 GLU H H 9.1933 0.05 1 331 71 71 GLU C C 174.8201 0.70 1 332 71 71 GLU CA C 54.4674 0.70 1 333 71 71 GLU CB C 33.9508 0.70 1 334 71 71 GLU N N 119.9561 0.50 1 335 72 72 ALA H H 8.9137 0.05 1 336 72 72 ALA C C 177.9652 0.70 1 337 72 72 ALA CA C 53.2010 0.70 1 338 72 72 ALA CB C 18.5001 0.70 1 339 72 72 ALA N N 127.5184 0.50 1 340 73 73 VAL H H 7.4333 0.05 1 341 73 73 VAL C C 175.3401 0.70 1 342 73 73 VAL CA C 61.3907 0.70 1 343 73 73 VAL CB C 33.5287 0.70 1 344 73 73 VAL N N 120.1583 0.50 1 345 74 74 SER H H 8.3484 0.05 1 346 74 74 SER C C 174.3745 0.70 1 347 74 74 SER CA C 58.6856 0.70 1 348 74 74 SER CB C 63.9839 0.70 1 349 74 74 SER N N 119.0584 0.50 1 350 75 75 SER CA C 58.4341 0.70 1 351 75 75 SER CB C 63.7852 0.70 1 352 76 76 LEU H H 8.2271 0.05 1 353 76 76 LEU C C 177.5436 0.70 1 354 76 76 LEU CA C 55.6580 0.70 1 355 76 76 LEU CB C 42.2022 0.70 1 356 76 76 LEU N N 123.5779 0.50 1 357 77 77 GLU H H 8.1418 0.05 1 358 77 77 GLU C C 176.3984 0.70 1 359 77 77 GLU CA C 56.9151 0.70 1 360 77 77 GLU CB C 29.9237 0.70 1 361 77 77 GLU N N 120.3606 0.50 1 stop_ save_