data_17234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the DNA-binding domain of E.coli Lrp ; _BMRB_accession_number 17234 _BMRB_flat_file_name bmr17234.str _Entry_type original _Submission_date 2010-10-01 _Accession_date 2010-10-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '25 calculated results and the averaged/minimized structure' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kawamura Tetsuya . . 2 Zhou Hongjun . . 3 Dahlquist Frederick W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 381 "13C chemical shifts" 275 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-23 update BMRB 'update entry citation' 2011-02-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Design Involved in PapI and Lrp Regulation of the pap Operon.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21338611 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kawamura Tetsuya . . 2 Vartanian Armand S. . 3 Zhou Hongjun . . 4 Dahlquist Frederick W. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 409 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 311 _Page_last 332 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Lrp_DNA-binding_domain _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Lrp_DNA-binding_domain $Lrp_DNA-binding_domain 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_Lrp_DNA-binding_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Lrp_DNA-binding_domain _Molecular_mass 7621.872 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MVDSKKRPGKDLDRIDRNIL NELQKDGRISNVELSKRVGL SPTPCLERVRRLERQGFIQG YTALLN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ASP 4 SER 5 LYS 6 LYS 7 ARG 8 PRO 9 GLY 10 LYS 11 ASP 12 LEU 13 ASP 14 ARG 15 ILE 16 ASP 17 ARG 18 ASN 19 ILE 20 LEU 21 ASN 22 GLU 23 LEU 24 GLN 25 LYS 26 ASP 27 GLY 28 ARG 29 ILE 30 SER 31 ASN 32 VAL 33 GLU 34 LEU 35 SER 36 LYS 37 ARG 38 VAL 39 GLY 40 LEU 41 SER 42 PRO 43 THR 44 PRO 45 CYS 46 LEU 47 GLU 48 ARG 49 VAL 50 ARG 51 ARG 52 LEU 53 GLU 54 ARG 55 GLN 56 GLY 57 PHE 58 ILE 59 GLN 60 GLY 61 TYR 62 THR 63 ALA 64 LEU 65 LEU 66 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 PDB 2GQQ "Crystal Structure Of E. Coli Leucine-Responsive Regulatory Protein (Lrp)" 98.48 163 100.00 100.00 1.11e-36 PDB 2L4A "Nmr Structure Of The Dna-Binding Domain Of E.Coli Lrp" 100.00 66 100.00 100.00 4.76e-38 DBJ BAA01880 "leucine responsive regulatory protein [Escherichia coli K-12]" 100.00 164 100.00 100.00 1.20e-37 DBJ BAA35614 "DNA-binding transcriptional dual regulator, leucine-binding [Escherichia coli str. K12 substr. W3110]" 100.00 164 100.00 100.00 1.20e-37 DBJ BAB34397 "regulator for leucine (or lrp) regulon and high-affinity branched-chain amino acid transport system [Escherichia coli O157:H7 s" 100.00 164 100.00 100.00 1.20e-37 DBJ BAE74382 "leucine-responsive regulatory protein [Sodalis glossinidius str. 'morsitans']" 100.00 164 98.48 100.00 3.45e-37 DBJ BAG76471 "leucine-responsive regulator [Escherichia coli SE11]" 100.00 164 100.00 100.00 1.20e-37 EMBL CAA76565 "leucine responsive element [Klebsiella oxytoca]" 77.27 51 98.04 98.04 4.03e-25 EMBL CAD05359 "leucine-responsive regulatory protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 164 100.00 100.00 1.28e-37 EMBL CAG75548 "leucine-responsive regulatory protein [Pectobacterium atrosepticum SCRI1043]" 100.00 164 96.97 98.48 2.30e-36 EMBL CAP75362 "Leucine-responsive regulatory protein [Escherichia coli LF82]" 100.00 164 100.00 100.00 1.20e-37 EMBL CAQ31417 "Lrp transcriptional dual regulator [Escherichia coli BL21(DE3)]" 100.00 164 100.00 100.00 1.20e-37 GB AAA24089 "leucine-responsive-regulatory protein (Lrp) [Escherichia coli]" 100.00 164 100.00 100.00 1.20e-37 GB AAA75439 "Lrp [Enterobacter aerogenes]" 100.00 164 100.00 100.00 1.20e-37 GB AAA75465 "Lrp [Klebsiella pneumoniae]" 100.00 164 100.00 100.00 1.36e-37 GB AAA75466 "Lrp [Serratia marcescens]" 100.00 164 98.48 98.48 8.72e-37 GB AAA75467 "Lrp [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 164 100.00 100.00 1.84e-37 PIR AE0611 "leucine-responsive regulatory protein STY0957 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 164 100.00 100.00 1.28e-37 REF NP_309001 "leucine-responsive transcriptional regulator [Escherichia coli O157:H7 str. Sakai]" 100.00 164 100.00 100.00 1.20e-37 REF NP_415409 "leucine-responsive global transcriptional regulator [Escherichia coli str. K-12 substr. MG1655]" 100.00 164 100.00 100.00 1.20e-37 REF NP_455447 "leucine-responsive regulatory protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 164 100.00 100.00 1.28e-37 REF NP_459935 "leucine-responsive transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 164 100.00 100.00 1.22e-37 REF NP_706774 "leucine-responsive transcriptional regulator [Shigella flexneri 2a str. 301]" 100.00 164 100.00 100.00 1.20e-37 SP P0A2S0 "RecName: Full=Leucine-responsive regulatory protein" 100.00 164 100.00 100.00 1.22e-37 SP P0ACJ0 "RecName: Full=Leucine-responsive regulatory protein" 100.00 164 100.00 100.00 1.20e-37 SP P0ACJ1 "RecName: Full=Leucine-responsive regulatory protein" 100.00 164 100.00 100.00 1.20e-37 SP P0ACJ2 "RecName: Full=Leucine-responsive regulatory protein" 100.00 164 100.00 100.00 1.20e-37 SP P0ACJ3 "RecName: Full=Leucine-responsive regulatory protein" 100.00 164 100.00 100.00 1.20e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Lrp_DNA-binding_domain 'E. coli' 562 bacteria . Escherichia coli 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 $Lrp_DNA-binding_domain 'recombinant technology' . Escherichia coli BL21(DE3) pET28b(+) 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 $Lrp_DNA-binding_domain 2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Lrp_DNA-binding_domain 2 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Lrp_DNA-binding_domain . uM 80 150 '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 30 mM . . 'natural abundance' beta-mercaptoethanol 2 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Vendor _Address _Electronic_address Kraulis . . stop_ loop_ _Task 'chemical shift assignment' 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 'data analysis' 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 'data analysis' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_4D_15N-13C_edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N-13C edited NOESY' _Sample_label $sample_1 save_ save_4D_13C-131C_edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-131C edited NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 273 . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' '4D 15N-13C edited 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 Lrp_DNA-binding_domain _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 3 3 ASP HA H 4.715 0.02 1 2 3 3 ASP HB2 H 2.631 0.02 2 3 3 3 ASP HB3 H 2.748 0.02 2 4 3 3 ASP C C 176.15 0.1 1 5 3 3 ASP CA C 54.31 0.1 1 6 3 3 ASP CB C 41.52 0.1 1 7 4 4 SER H H 8.508 0.02 1 8 4 4 SER HA H 4.399 0.02 1 9 4 4 SER HB2 H 3.841 0.02 2 10 4 4 SER HB3 H 3.909 0.02 2 11 4 4 SER C C 174.72 0.1 1 12 4 4 SER CA C 58.58 0.1 1 13 4 4 SER CB C 63.75 0.100 1 14 4 4 SER N N 117.72 0.1 1 15 5 5 LYS H H 8.371 0.02 1 16 5 5 LYS HA H 4.293 0.02 1 17 5 5 LYS HB2 H 1.781 0.02 2 18 5 5 LYS HB3 H 1.842 0.02 2 19 5 5 LYS HD2 H 1.677 0.02 2 20 5 5 LYS HD3 H 1.677 0.02 2 21 5 5 LYS HE2 H 2.995 0.02 2 22 5 5 LYS HE3 H 2.995 0.02 2 23 5 5 LYS HG2 H 1.405 0.02 2 24 5 5 LYS HG3 H 1.445 0.02 2 25 5 5 LYS C C 176.56 0.1 1 26 5 5 LYS CA C 56.55 0.1 1 27 5 5 LYS CB C 32.77 0.1 1 28 5 5 LYS CD C 28.99 0.1 1 29 5 5 LYS CE C 42.13 0.1 1 30 5 5 LYS CG C 24.91 0.1 1 31 5 5 LYS N N 122.78 0.1 1 32 6 6 LYS H H 8.165 0.02 1 33 6 6 LYS HA H 4.288 0.02 1 34 6 6 LYS HB2 H 1.724 0.02 2 35 6 6 LYS HB3 H 1.786 0.02 2 36 6 6 LYS HD2 H 1.636 0.02 2 37 6 6 LYS HD3 H 1.636 0.02 2 38 6 6 LYS HE2 H 2.966 0.02 2 39 6 6 LYS HE3 H 2.966 0.02 2 40 6 6 LYS HG2 H 1.368 0.02 2 41 6 6 LYS HG3 H 1.425 0.02 2 42 6 6 LYS C C 176.23 0.1 1 43 6 6 LYS CA C 56.21 0.1 1 44 6 6 LYS CB C 33.05 0.1 1 45 6 6 LYS CD C 29.15 0.1 1 46 6 6 LYS CE C 42.18 0.1 1 47 6 6 LYS CG C 24.88 0.1 1 48 6 6 LYS N N 122.02 0.1 1 49 7 7 ARG H H 8.389 0.02 1 50 7 7 ARG HA H 4.631 0.02 1 51 7 7 ARG HB2 H 1.716 0.02 2 52 7 7 ARG HB3 H 1.716 0.02 2 53 7 7 ARG HG2 H 1.663 0.02 2 54 7 7 ARG HG3 H 1.663 0.02 2 55 7 7 ARG CA C 53.84 0.122 1 56 7 7 ARG CB C 30.39 0.1 1 57 7 7 ARG CG C 27.02 0.1 1 58 7 7 ARG N N 123.70 0.1 1 59 8 8 PRO HA H 4.403 0.02 1 60 8 8 PRO HB2 H 2.237 0.02 2 61 8 8 PRO HB3 H 2.286 0.02 2 62 8 8 PRO HD2 H 3.652 0.02 2 63 8 8 PRO HD3 H 3.801 0.02 2 64 8 8 PRO HG2 H 1.947 0.02 2 65 8 8 PRO HG3 H 2.030 0.02 2 66 8 8 PRO C C 177.44 0.1 1 67 8 8 PRO CA C 63.43 0.1 1 68 8 8 PRO CB C 32.26 0.1 1 69 8 8 PRO CD C 50.68 0.1 1 70 8 8 PRO CG C 27.53 0.153 1 71 9 9 GLY H H 8.460 0.02 1 72 9 9 GLY HA2 H 3.916 0.02 2 73 9 9 GLY HA3 H 4.019 0.02 2 74 9 9 GLY C C 174.31 0.1 1 75 9 9 GLY CA C 45.46 0.166 1 76 9 9 GLY N N 109.43 0.1 1 77 10 10 LYS H H 8.159 0.02 1 78 10 10 LYS HA H 4.337 0.02 1 79 10 10 LYS HB2 H 1.796 0.02 2 80 10 10 LYS HB3 H 1.888 0.02 2 81 10 10 LYS HD2 H 1.679 0.02 2 82 10 10 LYS HD3 H 1.679 0.02 2 83 10 10 LYS HE2 H 2.992 0.02 2 84 10 10 LYS HE3 H 2.992 0.02 2 85 10 10 LYS HG2 H 1.437 0.02 2 86 10 10 LYS HG3 H 1.437 0.02 2 87 10 10 LYS C C 176.13 0.1 1 88 10 10 LYS CA C 56.43 0.1 1 89 10 10 LYS CB C 33.11 0.1 1 90 10 10 LYS CD C 29.23 0.1 1 91 10 10 LYS CE C 42.21 0.1 1 92 10 10 LYS CG C 24.77 0.1 1 93 10 10 LYS N N 120.08 0.1 1 94 11 11 ASP H H 8.367 0.02 1 95 11 11 ASP HA H 4.601 0.02 1 96 11 11 ASP HB2 H 2.577 0.02 2 97 11 11 ASP HB3 H 2.713 0.02 2 98 11 11 ASP C C 175.69 0.1 1 99 11 11 ASP CA C 54.31 0.1 1 100 11 11 ASP CB C 41.30 0.148 1 101 11 11 ASP N N 120.00 0.1 1 102 12 12 LEU H H 7.806 0.02 1 103 12 12 LEU HA H 4.563 0.02 1 104 12 12 LEU HB2 H 1.349 0.02 2 105 12 12 LEU HB3 H 1.571 0.02 2 106 12 12 LEU HD1 H 0.344 0.02 2 107 12 12 LEU HD2 H 0.363 0.02 2 108 12 12 LEU HG H 1.394 0.02 1 109 12 12 LEU C C 177.22 0.1 1 110 12 12 LEU CA C 54.30 0.1 1 111 12 12 LEU CB C 43.83 0.106 1 112 12 12 LEU CD1 C 25.75 0.105 1 113 12 12 LEU CD2 C 23.41 0.1 1 114 12 12 LEU CG C 26.94 0.1 1 115 12 12 LEU N N 121.51 0.1 1 116 13 13 ASP H H 9.035 0.02 1 117 13 13 ASP HA H 4.641 0.02 1 118 13 13 ASP HB2 H 2.739 0.02 2 119 13 13 ASP HB3 H 3.218 0.02 2 120 13 13 ASP C C 175.95 0.1 1 121 13 13 ASP CA C 52.34 0.1 1 122 13 13 ASP CB C 41.38 0.1 1 123 13 13 ASP N N 123.84 0.1 1 124 14 14 ARG H H 8.225 0.02 1 125 14 14 ARG HA H 3.832 0.02 1 126 14 14 ARG HB2 H 1.809 0.02 2 127 14 14 ARG HB3 H 1.916 0.02 2 128 14 14 ARG HD2 H 3.221 0.02 2 129 14 14 ARG HD3 H 3.221 0.02 2 130 14 14 ARG HG2 H 1.647 0.02 2 131 14 14 ARG HG3 H 1.647 0.02 2 132 14 14 ARG C C 178.24 0.1 1 133 14 14 ARG CA C 59.44 0.1 1 134 14 14 ARG CB C 30.43 0.1 1 135 14 14 ARG CD C 43.27 0.1 1 136 14 14 ARG CG C 26.80 0.1 1 137 14 14 ARG N N 117.50 0.1 1 138 15 15 ILE H H 7.564 0.02 1 139 15 15 ILE HA H 3.738 0.02 1 140 15 15 ILE HB H 1.825 0.02 1 141 15 15 ILE HD1 H 0.880 0.02 1 142 15 15 ILE HG12 H 1.154 0.02 1 143 15 15 ILE HG13 H 1.633 0.02 1 144 15 15 ILE HG2 H 0.836 0.02 1 145 15 15 ILE C C 177.83 0.1 1 146 15 15 ILE CA C 64.96 0.1 1 147 15 15 ILE CB C 37.41 0.1 1 148 15 15 ILE CD1 C 13.36 0.1 1 149 15 15 ILE CG1 C 29.36 0.114 1 150 15 15 ILE CG2 C 17.95 0.111 1 151 15 15 ILE N N 119.32 0.1 1 152 16 16 ASP H H 8.333 0.02 1 153 16 16 ASP HA H 4.357 0.02 1 154 16 16 ASP HB2 H 2.347 0.02 2 155 16 16 ASP HB3 H 2.814 0.02 2 156 16 16 ASP C C 178.87 0.1 1 157 16 16 ASP CA C 57.93 0.1 1 158 16 16 ASP CB C 41.69 0.118 1 159 16 16 ASP N N 121.56 0.1 1 160 17 17 ARG H H 8.099 0.02 1 161 17 17 ARG HA H 3.789 0.02 1 162 17 17 ARG HB2 H 1.816 0.02 2 163 17 17 ARG HB3 H 1.816 0.02 2 164 17 17 ARG HD2 H 3.050 0.02 2 165 17 17 ARG HD3 H 3.215 0.02 2 166 17 17 ARG HG2 H 1.488 0.02 2 167 17 17 ARG HG3 H 1.729 0.02 2 168 17 17 ARG C C 178.79 0.1 1 169 17 17 ARG CA C 59.62 0.102 1 170 17 17 ARG CB C 29.69 0.1 1 171 17 17 ARG CD C 43.24 0.103 1 172 17 17 ARG CG C 28.50 0.126 1 173 17 17 ARG N N 117.09 0.1 1 174 18 18 ASN H H 8.103 0.02 1 175 18 18 ASN HA H 4.564 0.02 1 176 18 18 ASN HB2 H 2.956 0.02 2 177 18 18 ASN HB3 H 3.113 0.02 2 178 18 18 ASN C C 178.00 0.1 1 179 18 18 ASN CA C 55.84 0.1 1 180 18 18 ASN CB C 37.44 0.189 1 181 18 18 ASN N N 120.23 0.1 1 182 19 19 ILE H H 8.698 0.02 1 183 19 19 ILE HA H 3.421 0.02 1 184 19 19 ILE HB H 2.127 0.02 1 185 19 19 ILE HD1 H 0.889 0.02 1 186 19 19 ILE HG12 H 0.749 0.02 1 187 19 19 ILE HG13 H 2.005 0.02 1 188 19 19 ILE HG2 H 0.739 0.02 1 189 19 19 ILE C C 177.27 0.1 1 190 19 19 ILE CA C 66.60 0.195 1 191 19 19 ILE CB C 38.04 0.1 1 192 19 19 ILE CD1 C 15.34 0.107 1 193 19 19 ILE CG1 C 30.96 0.1 1 194 19 19 ILE CG2 C 17.84 0.1 1 195 19 19 ILE N N 122.40 0.1 1 196 20 20 LEU H H 8.172 0.02 1 197 20 20 LEU HA H 3.855 0.02 1 198 20 20 LEU HB2 H 1.461 0.02 2 199 20 20 LEU HB3 H 1.807 0.02 2 200 20 20 LEU HD1 H 0.680 0.02 2 201 20 20 LEU HD2 H 0.784 0.02 2 202 20 20 LEU HG H 1.808 0.02 1 203 20 20 LEU C C 179.57 0.1 1 204 20 20 LEU CA C 58.10 0.1 1 205 20 20 LEU CB C 41.04 0.1 1 206 20 20 LEU CD1 C 26.17 0.1 1 207 20 20 LEU CD2 C 24.46 0.1 1 208 20 20 LEU CG C 26.59 0.1 1 209 20 20 LEU N N 117.81 0.1 1 210 21 21 ASN H H 8.179 0.02 1 211 21 21 ASN HA H 4.404 0.02 1 212 21 21 ASN HB2 H 2.868 0.02 2 213 21 21 ASN HB3 H 2.971 0.02 2 214 21 21 ASN C C 178.27 0.1 1 215 21 21 ASN CA C 56.16 0.1 1 216 21 21 ASN CB C 38.63 0.1 1 217 21 21 ASN N N 117.41 0.1 1 218 22 22 GLU H H 8.113 0.02 1 219 22 22 GLU HA H 4.015 0.02 1 220 22 22 GLU HB2 H 1.922 0.02 2 221 22 22 GLU HB3 H 1.922 0.02 2 222 22 22 GLU HG2 H 1.928 0.02 2 223 22 22 GLU HG3 H 2.507 0.02 2 224 22 22 GLU C C 179.59 0.1 1 225 22 22 GLU CA C 58.73 0.111 1 226 22 22 GLU CB C 29.13 0.113 1 227 22 22 GLU CG C 35.54 0.131 1 228 22 22 GLU N N 118.78 0.1 1 229 23 23 LEU H H 8.208 0.02 1 230 23 23 LEU HA H 4.159 0.02 1 231 23 23 LEU HB2 H 1.365 0.02 2 232 23 23 LEU HB3 H 1.721 0.02 2 233 23 23 LEU HD1 H 0.596 0.02 2 234 23 23 LEU HD2 H 0.714 0.02 2 235 23 23 LEU HG H 1.688 0.02 1 236 23 23 LEU C C 178.97 0.1 1 237 23 23 LEU CA C 56.82 0.1 1 238 23 23 LEU CB C 41.71 0.1 1 239 23 23 LEU CD1 C 26.53 0.1 1 240 23 23 LEU CD2 C 23.41 0.1 1 241 23 23 LEU CG C 27.03 0.125 1 242 23 23 LEU N N 118.90 0.1 1 243 24 24 GLN H H 7.841 0.02 1 244 24 24 GLN HA H 4.059 0.02 1 245 24 24 GLN HB2 H 2.151 0.02 2 246 24 24 GLN HB3 H 2.226 0.02 2 247 24 24 GLN HG2 H 2.418 0.02 2 248 24 24 GLN HG3 H 2.562 0.02 2 249 24 24 GLN C C 177.92 0.1 1 250 24 24 GLN CA C 57.97 0.1 1 251 24 24 GLN CB C 28.55 0.1 1 252 24 24 GLN CG C 34.29 0.1 1 253 24 24 GLN N N 117.00 0.1 1 254 25 25 LYS H H 7.313 0.02 1 255 25 25 LYS HA H 4.097 0.02 1 256 25 25 LYS HB2 H 1.898 0.02 2 257 25 25 LYS HB3 H 1.898 0.02 2 258 25 25 LYS HD2 H 1.682 0.02 2 259 25 25 LYS HD3 H 1.682 0.02 2 260 25 25 LYS HE2 H 2.908 0.02 2 261 25 25 LYS HE3 H 2.908 0.02 2 262 25 25 LYS HG2 H 1.443 0.02 2 263 25 25 LYS HG3 H 1.632 0.02 2 264 25 25 LYS C C 177.25 0.1 1 265 25 25 LYS CA C 58.39 0.1 1 266 25 25 LYS CB C 33.18 0.1 1 267 25 25 LYS CD C 29.55 0.1 1 268 25 25 LYS CE C 41.97 0.1 1 269 25 25 LYS CG C 25.19 0.1 1 270 25 25 LYS N N 118.46 0.1 1 271 26 26 ASP H H 7.702 0.02 1 272 26 26 ASP HA H 4.603 0.02 1 273 26 26 ASP HB2 H 2.549 0.02 2 274 26 26 ASP HB3 H 2.843 0.02 2 275 26 26 ASP C C 175.19 0.1 1 276 26 26 ASP CA C 54.06 0.1 1 277 26 26 ASP CB C 41.47 0.1 1 278 26 26 ASP N N 117.42 0.1 1 279 27 27 GLY H H 8.442 0.02 1 280 27 27 GLY HA2 H 3.899 0.02 2 281 27 27 GLY HA3 H 4.275 0.02 2 282 27 27 GLY C C 175.05 0.1 1 283 27 27 GLY CA C 46.59 0.1 1 284 27 27 GLY N N 110.85 0.1 1 285 28 28 ARG H H 8.219 0.02 1 286 28 28 ARG HA H 4.502 0.02 1 287 28 28 ARG HB2 H 1.785 0.02 2 288 28 28 ARG HB3 H 2.033 0.02 2 289 28 28 ARG HD2 H 3.182 0.02 2 290 28 28 ARG HD3 H 3.182 0.02 2 291 28 28 ARG HG2 H 1.585 0.02 2 292 28 28 ARG HG3 H 1.668 0.02 2 293 28 28 ARG C C 176.15 0.1 1 294 28 28 ARG CA C 54.92 0.1 1 295 28 28 ARG CB C 30.06 0.103 1 296 28 28 ARG CD C 43.38 0.1 1 297 28 28 ARG CG C 27.16 0.1 1 298 28 28 ARG N N 118.04 0.1 1 299 29 29 ILE H H 7.170 0.02 1 300 29 29 ILE HA H 4.124 0.02 1 301 29 29 ILE HB H 1.925 0.02 1 302 29 29 ILE HD1 H 0.817 0.02 1 303 29 29 ILE HG12 H 1.539 0.02 1 304 29 29 ILE HG13 H 1.539 0.02 1 305 29 29 ILE HG2 H 0.935 0.02 1 306 29 29 ILE C C 174.38 0.1 1 307 29 29 ILE CA C 61.59 0.1 1 308 29 29 ILE CB C 39.57 0.1 1 309 29 29 ILE CD1 C 14.57 0.214 1 310 29 29 ILE CG1 C 27.32 0.1 1 311 29 29 ILE CG2 C 17.50 0.1 1 312 29 29 ILE N N 119.87 0.1 1 313 30 30 SER H H 8.454 0.02 1 314 30 30 SER HA H 4.500 0.02 1 315 30 30 SER HB2 H 4.057 0.02 2 316 30 30 SER HB3 H 4.362 0.02 2 317 30 30 SER C C 175.00 0.1 1 318 30 30 SER CA C 57.29 0.1 1 319 30 30 SER CB C 64.85 0.123 1 320 30 30 SER N N 120.52 0.1 1 321 31 31 ASN H H 9.116 0.02 1 322 31 31 ASN HA H 4.499 0.02 1 323 31 31 ASN HB2 H 2.747 0.02 2 324 31 31 ASN HB3 H 2.747 0.02 2 325 31 31 ASN HD22 H 6.725 0.02 2 326 31 31 ASN C C 178.16 0.1 1 327 31 31 ASN CA C 57.62 0.1 1 328 31 31 ASN CB C 39.45 0.1 1 329 31 31 ASN N N 120.39 0.1 1 330 31 31 ASN ND2 N 110.70 0.1 1 331 32 32 VAL H H 8.227 0.02 1 332 32 32 VAL HA H 3.576 0.02 1 333 32 32 VAL HB H 2.022 0.02 1 334 32 32 VAL HG1 H 0.974 0.02 2 335 32 32 VAL HG2 H 1.096 0.02 2 336 32 32 VAL C C 178.06 0.1 1 337 32 32 VAL CA C 66.99 0.1 1 338 32 32 VAL CB C 31.91 0.1 1 339 32 32 VAL CG1 C 21.11 0.103 1 340 32 32 VAL CG2 C 22.91 0.127 1 341 32 32 VAL N N 118.44 0.1 1 342 33 33 GLU H H 7.601 0.02 1 343 33 33 GLU HA H 4.078 0.02 1 344 33 33 GLU HB2 H 1.992 0.02 2 345 33 33 GLU HB3 H 2.108 0.02 2 346 33 33 GLU HG2 H 2.206 0.02 2 347 33 33 GLU HG3 H 2.365 0.02 2 348 33 33 GLU C C 178.29 0.1 1 349 33 33 GLU CA C 58.95 0.116 1 350 33 33 GLU CB C 29.30 0.172 1 351 33 33 GLU CG C 35.81 0.129 1 352 33 33 GLU N N 122.19 0.1 1 353 34 34 LEU H H 8.761 0.02 1 354 34 34 LEU HA H 3.787 0.02 1 355 34 34 LEU HB2 H 1.428 0.02 2 356 34 34 LEU HB3 H 1.994 0.02 2 357 34 34 LEU HD1 H 0.753 0.02 2 358 34 34 LEU HD2 H 0.862 0.02 2 359 34 34 LEU HG H 1.413 0.02 1 360 34 34 LEU C C 178.16 0.1 1 361 34 34 LEU CA C 58.57 0.121 1 362 34 34 LEU CB C 42.08 0.1 1 363 34 34 LEU CD1 C 27.04 0.115 1 364 34 34 LEU CD2 C 23.64 0.1 1 365 34 34 LEU CG C 27.06 0.1 1 366 34 34 LEU N N 120.89 0.1 1 367 35 35 SER H H 8.378 0.02 1 368 35 35 SER HA H 3.970 0.02 1 369 35 35 SER HB2 H 3.876 0.02 2 370 35 35 SER HB3 H 3.876 0.02 2 371 35 35 SER C C 176.05 0.1 1 372 35 35 SER CA C 62.41 0.118 1 373 35 35 SER CB C 62.02 0.1 1 374 35 35 SER N N 113.89 0.1 1 375 36 36 LYS H H 7.335 0.02 1 376 36 36 LYS HA H 4.102 0.02 1 377 36 36 LYS HB2 H 1.990 0.02 2 378 36 36 LYS HB3 H 1.990 0.02 2 379 36 36 LYS HD2 H 1.705 0.02 2 380 36 36 LYS HD3 H 1.705 0.02 2 381 36 36 LYS HE2 H 2.924 0.02 2 382 36 36 LYS HE3 H 2.924 0.02 2 383 36 36 LYS HG2 H 1.428 0.02 2 384 36 36 LYS HG3 H 1.644 0.02 2 385 36 36 LYS C C 179.91 0.1 1 386 36 36 LYS CA C 59.12 0.1 1 387 36 36 LYS CB C 32.54 0.1 1 388 36 36 LYS CD C 29.65 0.108 1 389 36 36 LYS CE C 41.97 0.1 1 390 36 36 LYS CG C 25.08 0.1 1 391 36 36 LYS N N 122.58 0.1 1 392 37 37 ARG H H 8.010 0.02 1 393 37 37 ARG HA H 4.104 0.02 1 394 37 37 ARG HB2 H 1.781 0.02 2 395 37 37 ARG HB3 H 1.969 0.02 2 396 37 37 ARG HD2 H 2.772 0.02 2 397 37 37 ARG HD3 H 3.229 0.02 2 398 37 37 ARG HG2 H 1.710 0.02 2 399 37 37 ARG HG3 H 2.010 0.02 2 400 37 37 ARG C C 178.77 0.1 1 401 37 37 ARG CA C 59.15 0.141 1 402 37 37 ARG CB C 30.60 0.1 1 403 37 37 ARG CD C 43.73 0.1 1 404 37 37 ARG CG C 27.79 0.126 1 405 37 37 ARG N N 118.03 0.1 1 406 38 38 VAL H H 7.842 0.02 1 407 38 38 VAL HA H 4.554 0.02 1 408 38 38 VAL HB H 2.468 0.02 1 409 38 38 VAL HG1 H 0.836 0.02 2 410 38 38 VAL HG2 H 0.914 0.02 2 411 38 38 VAL C C 175.97 0.1 1 412 38 38 VAL CA C 60.94 0.1 1 413 38 38 VAL CB C 32.15 0.1 1 414 38 38 VAL CG1 C 21.07 0.126 1 415 38 38 VAL CG2 C 18.90 0.1 1 416 38 38 VAL N N 108.46 0.108 1 417 39 39 GLY H H 7.686 0.02 1 418 39 39 GLY HA2 H 3.886 0.02 2 419 39 39 GLY HA3 H 4.033 0.02 2 420 39 39 GLY C C 174.22 0.1 1 421 39 39 GLY CA C 46.68 0.182 1 422 39 39 GLY N N 110.19 0.1 1 423 40 40 LEU H H 8.093 0.02 1 424 40 40 LEU HA H 4.855 0.02 1 425 40 40 LEU HB2 H 1.244 0.02 2 426 40 40 LEU HB3 H 1.690 0.02 2 427 40 40 LEU HD1 H 0.736 0.02 2 428 40 40 LEU HD2 H 0.921 0.02 2 429 40 40 LEU HG H 1.585 0.02 1 430 40 40 LEU C C 176.37 0.1 1 431 40 40 LEU CA C 52.73 0.1 1 432 40 40 LEU CB C 48.10 0.1 1 433 40 40 LEU CD1 C 26.76 0.1 1 434 40 40 LEU CD2 C 23.58 0.1 1 435 40 40 LEU CG C 26.82 0.1 1 436 40 40 LEU N N 119.53 0.1 1 437 41 41 SER H H 8.179 0.02 1 438 41 41 SER HA H 4.818 0.02 1 439 41 41 SER HB2 H 3.874 0.045 2 440 41 41 SER HB3 H 4.073 0.02 2 441 41 41 SER CA C 57.90 0.1 1 442 41 41 SER CB C 62.17 0.224 1 443 41 41 SER N N 115.92 0.1 1 444 42 42 PRO HA H 4.270 0.02 1 445 42 42 PRO HB2 H 2.001 0.02 2 446 42 42 PRO HB3 H 2.242 0.02 2 447 42 42 PRO HD2 H 3.841 0.02 2 448 42 42 PRO HD3 H 4.004 0.02 2 449 42 42 PRO HG2 H 2.040 0.02 2 450 42 42 PRO HG3 H 2.245 0.02 2 451 42 42 PRO C C 178.85 0.1 1 452 42 42 PRO CA C 67.11 0.136 1 453 42 42 PRO CB C 32.54 0.1 1 454 42 42 PRO CD C 50.81 0.1 1 455 42 42 PRO CG C 28.28 0.102 1 456 43 43 THR H H 8.897 0.02 1 457 43 43 THR HA H 4.211 0.02 1 458 43 43 THR HB H 4.396 0.02 1 459 43 43 THR HG2 H 1.257 0.02 1 460 43 43 THR CA C 69.01 0.183 1 461 43 43 THR CB C 66.04 0.1 1 462 43 43 THR CG2 C 22.43 0.1 1 463 43 43 THR N N 114.78 0.1 1 464 44 44 PRO HA H 4.416 0.02 1 465 44 44 PRO HB2 H 1.848 0.02 2 466 44 44 PRO HB3 H 2.378 0.02 2 467 44 44 PRO HD2 H 3.456 0.02 2 468 44 44 PRO HD3 H 3.669 0.02 2 469 44 44 PRO HG2 H 2.037 0.02 2 470 44 44 PRO HG3 H 2.177 0.02 2 471 44 44 PRO C C 179.22 0.1 1 472 44 44 PRO CA C 65.37 0.101 1 473 44 44 PRO CB C 31.01 0.1 1 474 44 44 PRO CD C 49.54 0.133 1 475 44 44 PRO CG C 28.24 0.115 1 476 45 45 CYS H H 7.601 0.02 1 477 45 45 CYS HA H 3.822 0.02 1 478 45 45 CYS HB2 H 2.394 0.02 2 479 45 45 CYS HB3 H 3.226 0.02 2 480 45 45 CYS C C 175.14 0.1 1 481 45 45 CYS CA C 63.15 0.123 1 482 45 45 CYS CB C 26.77 0.1 1 483 45 45 CYS N N 117.60 0.1 1 484 46 46 LEU H H 8.278 0.02 1 485 46 46 LEU HA H 4.010 0.02 1 486 46 46 LEU HB2 H 1.726 0.02 2 487 46 46 LEU HB3 H 1.989 0.02 2 488 46 46 LEU HD1 H 0.891 0.02 2 489 46 46 LEU HD2 H 0.898 0.02 2 490 46 46 LEU HG H 1.607 0.02 1 491 46 46 LEU C C 179.09 0.1 1 492 46 46 LEU CA C 58.09 0.115 1 493 46 46 LEU CB C 41.53 0.1 1 494 46 46 LEU CD1 C 23.71 0.1 1 495 46 46 LEU CD2 C 25.52 0.1 1 496 46 46 LEU CG C 27.18 0.1 1 497 46 46 LEU N N 121.45 0.1 1 498 47 47 GLU H H 7.988 0.02 1 499 47 47 GLU HA H 4.019 0.02 1 500 47 47 GLU HB2 H 2.087 0.02 2 501 47 47 GLU HB3 H 2.087 0.02 2 502 47 47 GLU HG2 H 2.253 0.02 2 503 47 47 GLU HG3 H 2.420 0.02 2 504 47 47 GLU C C 180.30 0.1 1 505 47 47 GLU CA C 59.38 0.1 1 506 47 47 GLU CB C 29.42 0.1 1 507 47 47 GLU CG C 36.33 0.1 1 508 47 47 GLU N N 116.97 0.1 1 509 48 48 ARG H H 7.752 0.02 1 510 48 48 ARG HA H 4.098 0.02 1 511 48 48 ARG HB2 H 1.805 0.02 2 512 48 48 ARG HB3 H 2.063 0.02 2 513 48 48 ARG HD2 H 2.853 0.02 2 514 48 48 ARG HD3 H 3.013 0.02 2 515 48 48 ARG HG2 H 1.711 0.02 2 516 48 48 ARG HG3 H 1.802 0.02 2 517 48 48 ARG C C 179.43 0.1 1 518 48 48 ARG CA C 59.47 0.1 1 519 48 48 ARG CB C 30.10 0.142 1 520 48 48 ARG CD C 43.67 0.106 1 521 48 48 ARG CG C 29.74 0.189 1 522 48 48 ARG N N 119.90 0.1 1 523 49 49 VAL H H 8.572 0.02 1 524 49 49 VAL HA H 3.421 0.02 1 525 49 49 VAL HB H 2.249 0.02 1 526 49 49 VAL HG1 H 0.825 0.02 2 527 49 49 VAL HG2 H 1.004 0.033 2 528 49 49 VAL C C 177.76 0.1 1 529 49 49 VAL CA C 67.56 0.1 1 530 49 49 VAL CB C 31.71 0.1 1 531 49 49 VAL CG1 C 21.93 0.107 1 532 49 49 VAL CG2 C 23.92 0.1 1 533 49 49 VAL N N 121.15 0.1 1 534 50 50 ARG H H 8.642 0.02 1 535 50 50 ARG HA H 4.084 0.02 1 536 50 50 ARG HB2 H 1.890 0.02 2 537 50 50 ARG HB3 H 1.965 0.02 2 538 50 50 ARG HD2 H 3.148 0.02 2 539 50 50 ARG HD3 H 3.231 0.02 2 540 50 50 ARG HG2 H 1.690 0.02 2 541 50 50 ARG HG3 H 1.878 0.02 2 542 50 50 ARG C C 179.52 0.1 1 543 50 50 ARG CA C 59.53 0.1 1 544 50 50 ARG CB C 30.07 0.1 1 545 50 50 ARG CD C 43.49 0.100 1 546 50 50 ARG CG C 28.27 0.1 1 547 50 50 ARG N N 118.12 0.1 1 548 51 51 ARG H H 7.713 0.02 1 549 51 51 ARG HA H 4.063 0.02 1 550 51 51 ARG HB2 H 1.919 0.02 2 551 51 51 ARG HB3 H 2.046 0.02 2 552 51 51 ARG HD2 H 3.181 0.02 2 553 51 51 ARG HD3 H 3.292 0.02 2 554 51 51 ARG HG2 H 1.560 0.02 2 555 51 51 ARG HG3 H 1.764 0.02 2 556 51 51 ARG C C 178.32 0.1 1 557 51 51 ARG CA C 59.89 0.1 1 558 51 51 ARG CB C 30.04 0.1 1 559 51 51 ARG CD C 43.36 0.1 1 560 51 51 ARG CG C 27.64 0.107 1 561 51 51 ARG N N 120.68 0.1 1 562 52 52 LEU H H 8.285 0.02 1 563 52 52 LEU HA H 4.222 0.02 1 564 52 52 LEU HB2 H 1.280 0.02 2 565 52 52 LEU HB3 H 2.217 0.02 2 566 52 52 LEU HD1 H 0.657 0.02 2 567 52 52 LEU HD2 H 0.764 0.02 2 568 52 52 LEU HG H 1.932 0.02 1 569 52 52 LEU C C 179.84 0.1 1 570 52 52 LEU CA C 58.23 0.139 1 571 52 52 LEU CB C 41.90 0.137 1 572 52 52 LEU CD1 C 23.74 0.1 1 573 52 52 LEU CD2 C 25.59 0.1 1 574 52 52 LEU CG C 27.13 0.1 1 575 52 52 LEU N N 120.35 0.1 1 576 53 53 GLU H H 8.618 0.02 1 577 53 53 GLU HA H 4.430 0.02 1 578 53 53 GLU HB2 H 2.162 0.02 2 579 53 53 GLU HB3 H 2.162 0.02 2 580 53 53 GLU HG2 H 2.163 0.02 2 581 53 53 GLU HG3 H 2.439 0.02 2 582 53 53 GLU C C 180.73 0.1 1 583 53 53 GLU CA C 59.21 0.140 1 584 53 53 GLU CB C 29.77 0.1 1 585 53 53 GLU CG C 36.58 0.102 1 586 53 53 GLU N N 120.82 0.1 1 587 54 54 ARG H H 8.313 0.02 1 588 54 54 ARG HA H 4.126 0.02 1 589 54 54 ARG HB2 H 2.027 0.02 2 590 54 54 ARG HB3 H 2.113 0.02 2 591 54 54 ARG HD2 H 3.257 0.02 2 592 54 54 ARG HD3 H 3.257 0.02 2 593 54 54 ARG HG2 H 1.761 0.02 2 594 54 54 ARG HG3 H 1.886 0.02 2 595 54 54 ARG C C 178.82 0.1 1 596 54 54 ARG CA C 59.28 0.1 1 597 54 54 ARG CB C 30.13 0.1 1 598 54 54 ARG CD C 43.60 0.1 1 599 54 54 ARG CG C 27.71 0.109 1 600 54 54 ARG N N 121.92 0.1 1 601 55 55 GLN H H 8.019 0.02 1 602 55 55 GLN HA H 4.248 0.02 1 603 55 55 GLN HB2 H 2.155 0.02 2 604 55 55 GLN HB3 H 2.310 0.02 2 605 55 55 GLN HE21 H 7.217 0.02 2 606 55 55 GLN HE22 H 6.835 0.02 2 607 55 55 GLN HG2 H 2.423 0.02 2 608 55 55 GLN HG3 H 2.658 0.02 2 609 55 55 GLN C C 176.02 0.1 1 610 55 55 GLN CA C 56.11 0.1 1 611 55 55 GLN CB C 30.31 0.1 1 612 55 55 GLN CG C 34.91 0.136 1 613 55 55 GLN N N 114.61 0.1 1 614 55 55 GLN NE2 N 108.97 0.1 1 615 56 56 GLY H H 7.763 0.02 1 616 56 56 GLY HA2 H 3.829 0.02 2 617 56 56 GLY HA3 H 4.033 0.02 2 618 56 56 GLY C C 175.07 0.1 1 619 56 56 GLY CA C 45.67 0.1 1 620 56 56 GLY N N 105.94 0.1 1 621 57 57 PHE H H 8.150 0.02 1 622 57 57 PHE HA H 4.398 0.02 1 623 57 57 PHE HB2 H 2.772 0.02 2 624 57 57 PHE HB3 H 3.301 0.02 2 625 57 57 PHE C C 175.40 0.1 1 626 57 57 PHE CA C 60.06 0.220 1 627 57 57 PHE CB C 40.76 0.128 1 628 57 57 PHE N N 116.89 0.1 1 629 58 58 ILE H H 7.290 0.02 1 630 58 58 ILE HA H 4.382 0.02 1 631 58 58 ILE HB H 1.628 0.02 1 632 58 58 ILE HD1 H 0.793 0.02 1 633 58 58 ILE HG12 H 0.834 0.02 1 634 58 58 ILE HG13 H 1.306 0.02 1 635 58 58 ILE HG2 H 0.835 0.02 1 636 58 58 ILE C C 174.46 0.1 1 637 58 58 ILE CA C 59.69 0.1 1 638 58 58 ILE CB C 41.27 0.105 1 639 58 58 ILE CD1 C 14.97 0.110 1 640 58 58 ILE CG1 C 27.00 0.137 1 641 58 58 ILE CG2 C 18.32 0.1 1 642 58 58 ILE N N 114.00 0.1 1 643 59 59 GLN H H 8.533 0.02 1 644 59 59 GLN HA H 4.542 0.02 1 645 59 59 GLN HB2 H 1.939 0.02 2 646 59 59 GLN HB3 H 2.055 0.02 2 647 59 59 GLN HG2 H 2.291 0.02 2 648 59 59 GLN HG3 H 2.291 0.02 2 649 59 59 GLN C C 176.03 0.1 1 650 59 59 GLN CA C 55.50 0.1 1 651 59 59 GLN CB C 30.72 0.104 1 652 59 59 GLN CG C 33.84 0.131 1 653 59 59 GLN N N 122.73 0.1 1 654 60 60 GLY H H 8.701 0.02 1 655 60 60 GLY HA2 H 3.836 0.02 2 656 60 60 GLY HA3 H 3.958 0.02 2 657 60 60 GLY C C 173.90 0.1 1 658 60 60 GLY CA C 45.86 0.144 1 659 60 60 GLY N N 110.54 0.1 1 660 61 61 TYR H H 8.190 0.02 1 661 61 61 TYR HA H 4.528 0.02 1 662 61 61 TYR HB2 H 2.935 0.02 2 663 61 61 TYR HB3 H 2.935 0.02 2 664 61 61 TYR C C 176.71 0.1 1 665 61 61 TYR CA C 58.87 0.177 1 666 61 61 TYR CB C 39.05 0.1 1 667 61 61 TYR N N 121.02 0.1 1 668 62 62 THR H H 8.626 0.02 1 669 62 62 THR HA H 4.066 0.02 1 670 62 62 THR HB H 4.105 0.02 1 671 62 62 THR HG2 H 1.177 0.02 1 672 62 62 THR C C 175.10 0.1 1 673 62 62 THR CA C 63.23 0.136 1 674 62 62 THR CB C 69.17 0.125 1 675 62 62 THR CG2 C 21.94 0.1 1 676 62 62 THR N N 117.23 0.1 1 677 63 63 ALA H H 8.077 0.02 1 678 63 63 ALA HA H 4.175 0.02 1 679 63 63 ALA HB H 1.357 0.02 1 680 63 63 ALA C C 177.96 0.1 1 681 63 63 ALA CA C 53.42 0.1 1 682 63 63 ALA CB C 19.11 0.114 1 683 63 63 ALA N N 125.42 0.1 1 684 64 64 LEU H H 7.919 0.02 1 685 64 64 LEU HA H 4.287 0.02 1 686 64 64 LEU HB2 H 1.620 0.02 2 687 64 64 LEU HB3 H 1.620 0.02 2 688 64 64 LEU HD1 H 0.828 0.02 2 689 64 64 LEU HD2 H 0.870 0.02 2 690 64 64 LEU HG H 1.588 0.02 1 691 64 64 LEU C C 177.07 0.1 1 692 64 64 LEU CA C 55.43 0.250 1 693 64 64 LEU CB C 42.28 0.1 1 694 64 64 LEU CD1 C 24.14 0.1 1 695 64 64 LEU CD2 C 25.45 0.127 1 696 64 64 LEU CG C 27.13 0.1 1 697 64 64 LEU N N 118.70 0.1 1 698 65 65 LEU H H 7.746 0.02 1 699 65 65 LEU HA H 4.339 0.02 1 700 65 65 LEU HB2 H 1.620 0.02 2 701 65 65 LEU HB3 H 1.620 0.02 2 702 65 65 LEU HD1 H 0.810 0.02 2 703 65 65 LEU HD2 H 0.873 0.02 2 704 65 65 LEU HG H 1.559 0.02 1 705 65 65 LEU C C 176.10 0.1 1 706 65 65 LEU CA C 54.89 0.123 1 707 65 65 LEU CB C 42.44 0.1 1 708 65 65 LEU CD1 C 23.44 0.1 1 709 65 65 LEU CD2 C 25.53 0.1 1 710 65 65 LEU CG C 26.93 0.1 1 711 65 65 LEU N N 120.54 0.1 1 712 66 66 ASN H H 7.768 0.02 1 713 66 66 ASN HA H 4.476 0.02 1 714 66 66 ASN HB2 H 2.628 0.02 2 715 66 66 ASN HB3 H 2.780 0.02 2 716 66 66 ASN CA C 54.81 0.118 1 717 66 66 ASN CB C 40.81 0.1 1 718 66 66 ASN N N 124.17 0.1 1 stop_ save_