data_26735 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26735 _Entry.Title ; LdcI Assocating Domain of RavA Backbone Assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-23 _Entry.Accession_date 2016-01-23 _Entry.Last_release_date 2016-06-08 _Entry.Original_release_date 2016-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Lysine decarboxylase inducible associating domain of Regulatory ATPase Variant A (LARA) backbone assignments, including amide nitrogen and proton, carbon alpha and beta, carbonyl carbon and detectable side chains carbons. Numbering is based on construct itself. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Simon Sharpe . S.S. . . 26735 2 'Walid A.' Houry . W.A.H. . . 26735 3 'Sze Wah Samuel' Chan . S.W.S.C. . . 26735 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26735 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Houry . 26735 2 . Sharpe . 26735 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26735 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 359 26735 '15N chemical shifts' 111 26735 '1H chemical shifts' 111 26735 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-01-09 2016-01-23 update BMRB 'update entry citation' 26735 1 . . 2016-06-08 2016-01-23 original author 'original release' 26735 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26735 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27265850 _Citation.Full_citation . _Citation.Title ; Mechanism of Amyloidogenesis of a Bacterial AAA+ Chaperone ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1095 _Citation.Page_last 1109 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Sze Wah Samuel' Chan . . . . 26735 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26735 _Assembly.ID 1 _Assembly.Name LARA3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 12609.5014 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 LARA3 1 $LARA3 B . yes native no no . . . 26735 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LARA3 _Entity.Sf_category entity _Entity.Sf_framecode LARA3 _Entity.Entry_ID 26735 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LARA3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMQQSDKTALTVIRLGGIF SRRQQYQLPVNVTASTLTLL LQKPLKLHDMEVVHISFERS ALEQWLSKGGEIRGKLNGIG FAQKLNLEVDSAQHLVVRDV SLQGSTLALPGSSAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12609.5014 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 26735 1 2 2 HIS . 26735 1 3 3 MET . 26735 1 4 4 GLN . 26735 1 5 5 GLN . 26735 1 6 6 SER . 26735 1 7 7 ASP . 26735 1 8 8 LYS . 26735 1 9 9 THR . 26735 1 10 10 ALA . 26735 1 11 11 LEU . 26735 1 12 12 THR . 26735 1 13 13 VAL . 26735 1 14 14 ILE . 26735 1 15 15 ARG . 26735 1 16 16 LEU . 26735 1 17 17 GLY . 26735 1 18 18 GLY . 26735 1 19 19 ILE . 26735 1 20 20 PHE . 26735 1 21 21 SER . 26735 1 22 22 ARG . 26735 1 23 23 ARG . 26735 1 24 24 GLN . 26735 1 25 25 GLN . 26735 1 26 26 TYR . 26735 1 27 27 GLN . 26735 1 28 28 LEU . 26735 1 29 29 PRO . 26735 1 30 30 VAL . 26735 1 31 31 ASN . 26735 1 32 32 VAL . 26735 1 33 33 THR . 26735 1 34 34 ALA . 26735 1 35 35 SER . 26735 1 36 36 THR . 26735 1 37 37 LEU . 26735 1 38 38 THR . 26735 1 39 39 LEU . 26735 1 40 40 LEU . 26735 1 41 41 LEU . 26735 1 42 42 GLN . 26735 1 43 43 LYS . 26735 1 44 44 PRO . 26735 1 45 45 LEU . 26735 1 46 46 LYS . 26735 1 47 47 LEU . 26735 1 48 48 HIS . 26735 1 49 49 ASP . 26735 1 50 50 MET . 26735 1 51 51 GLU . 26735 1 52 52 VAL . 26735 1 53 53 VAL . 26735 1 54 54 HIS . 26735 1 55 55 ILE . 26735 1 56 56 SER . 26735 1 57 57 PHE . 26735 1 58 58 GLU . 26735 1 59 59 ARG . 26735 1 60 60 SER . 26735 1 61 61 ALA . 26735 1 62 62 LEU . 26735 1 63 63 GLU . 26735 1 64 64 GLN . 26735 1 65 65 TRP . 26735 1 66 66 LEU . 26735 1 67 67 SER . 26735 1 68 68 LYS . 26735 1 69 69 GLY . 26735 1 70 70 GLY . 26735 1 71 71 GLU . 26735 1 72 72 ILE . 26735 1 73 73 ARG . 26735 1 74 74 GLY . 26735 1 75 75 LYS . 26735 1 76 76 LEU . 26735 1 77 77 ASN . 26735 1 78 78 GLY . 26735 1 79 79 ILE . 26735 1 80 80 GLY . 26735 1 81 81 PHE . 26735 1 82 82 ALA . 26735 1 83 83 GLN . 26735 1 84 84 LYS . 26735 1 85 85 LEU . 26735 1 86 86 ASN . 26735 1 87 87 LEU . 26735 1 88 88 GLU . 26735 1 89 89 VAL . 26735 1 90 90 ASP . 26735 1 91 91 SER . 26735 1 92 92 ALA . 26735 1 93 93 GLN . 26735 1 94 94 HIS . 26735 1 95 95 LEU . 26735 1 96 96 VAL . 26735 1 97 97 VAL . 26735 1 98 98 ARG . 26735 1 99 99 ASP . 26735 1 100 100 VAL . 26735 1 101 101 SER . 26735 1 102 102 LEU . 26735 1 103 103 GLN . 26735 1 104 104 GLY . 26735 1 105 105 SER . 26735 1 106 106 THR . 26735 1 107 107 LEU . 26735 1 108 108 ALA . 26735 1 109 109 LEU . 26735 1 110 110 PRO . 26735 1 111 111 GLY . 26735 1 112 112 SER . 26735 1 113 113 SER . 26735 1 114 114 ALA . 26735 1 115 115 GLU . 26735 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26735 1 . HIS 2 2 26735 1 . MET 3 3 26735 1 . GLN 4 4 26735 1 . GLN 5 5 26735 1 . SER 6 6 26735 1 . ASP 7 7 26735 1 . LYS 8 8 26735 1 . THR 9 9 26735 1 . ALA 10 10 26735 1 . LEU 11 11 26735 1 . THR 12 12 26735 1 . VAL 13 13 26735 1 . ILE 14 14 26735 1 . ARG 15 15 26735 1 . LEU 16 16 26735 1 . GLY 17 17 26735 1 . GLY 18 18 26735 1 . ILE 19 19 26735 1 . PHE 20 20 26735 1 . SER 21 21 26735 1 . ARG 22 22 26735 1 . ARG 23 23 26735 1 . GLN 24 24 26735 1 . GLN 25 25 26735 1 . TYR 26 26 26735 1 . GLN 27 27 26735 1 . LEU 28 28 26735 1 . PRO 29 29 26735 1 . VAL 30 30 26735 1 . ASN 31 31 26735 1 . VAL 32 32 26735 1 . THR 33 33 26735 1 . ALA 34 34 26735 1 . SER 35 35 26735 1 . THR 36 36 26735 1 . LEU 37 37 26735 1 . THR 38 38 26735 1 . LEU 39 39 26735 1 . LEU 40 40 26735 1 . LEU 41 41 26735 1 . GLN 42 42 26735 1 . LYS 43 43 26735 1 . PRO 44 44 26735 1 . LEU 45 45 26735 1 . LYS 46 46 26735 1 . LEU 47 47 26735 1 . HIS 48 48 26735 1 . ASP 49 49 26735 1 . MET 50 50 26735 1 . GLU 51 51 26735 1 . VAL 52 52 26735 1 . VAL 53 53 26735 1 . HIS 54 54 26735 1 . ILE 55 55 26735 1 . SER 56 56 26735 1 . PHE 57 57 26735 1 . GLU 58 58 26735 1 . ARG 59 59 26735 1 . SER 60 60 26735 1 . ALA 61 61 26735 1 . LEU 62 62 26735 1 . GLU 63 63 26735 1 . GLN 64 64 26735 1 . TRP 65 65 26735 1 . LEU 66 66 26735 1 . SER 67 67 26735 1 . LYS 68 68 26735 1 . GLY 69 69 26735 1 . GLY 70 70 26735 1 . GLU 71 71 26735 1 . ILE 72 72 26735 1 . ARG 73 73 26735 1 . GLY 74 74 26735 1 . LYS 75 75 26735 1 . LEU 76 76 26735 1 . ASN 77 77 26735 1 . GLY 78 78 26735 1 . ILE 79 79 26735 1 . GLY 80 80 26735 1 . PHE 81 81 26735 1 . ALA 82 82 26735 1 . GLN 83 83 26735 1 . LYS 84 84 26735 1 . LEU 85 85 26735 1 . ASN 86 86 26735 1 . LEU 87 87 26735 1 . GLU 88 88 26735 1 . VAL 89 89 26735 1 . ASP 90 90 26735 1 . SER 91 91 26735 1 . ALA 92 92 26735 1 . GLN 93 93 26735 1 . HIS 94 94 26735 1 . LEU 95 95 26735 1 . VAL 96 96 26735 1 . VAL 97 97 26735 1 . ARG 98 98 26735 1 . ASP 99 99 26735 1 . VAL 100 100 26735 1 . SER 101 101 26735 1 . LEU 102 102 26735 1 . GLN 103 103 26735 1 . GLY 104 104 26735 1 . SER 105 105 26735 1 . THR 106 106 26735 1 . LEU 107 107 26735 1 . ALA 108 108 26735 1 . LEU 109 109 26735 1 . PRO 110 110 26735 1 . GLY 111 111 26735 1 . SER 112 112 26735 1 . SER 113 113 26735 1 . ALA 114 114 26735 1 . GLU 115 115 26735 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26735 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LARA3 . 511693 organism . 'Escherichia coli BL21(DE3)' 'Escherichia coli (strain K12)' . . Bacteria . Escherichia . K-12 MG1655 . . . . . . . . . ravA 'LARA Domain of RavA protein' 26735 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26735 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LARA3 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL2 (DE3)' . . . . . p11 . . 'LARA Domain of RavA protein' 26735 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LARA _Sample.Sf_category sample _Sample.Sf_framecode LARA _Sample.Entry_ID 26735 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LARA3 '[[U-95% 13C; U-95% 15N]]' . . 1 $LARA3 . . 0.45 . . mM . . . . 26735 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26735 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26735 1 4 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 26735 1 stop_ save_ ####################### # Sample conditions # ####################### save_Assignment _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Assignment _Sample_condition_list.Entry_ID 26735 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50.000 . mM 26735 1 pH 4.000 . pH 26735 1 pressure 1.000 . atm 26735 1 temperature 280.150 . K 26735 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26735 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26735 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Aid 26735 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26735 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26735 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26735 1 stop_ save_ save_TXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TXI _NMR_spectrometer_probe.Entry_ID 26735 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details 'Z-gradient pulse field' _NMR_spectrometer_probe.Manufacturer TXI _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26735 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26735 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'COCBCA (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 2 'CCCONH (C_ccoNH.relayed)' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 3 '3D HNCACB' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 4 'CACO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 5 '3D HNCA' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 7 '3D HNCO' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 8 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $LARA isotropic . . 1 $Assignment . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 26735 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26735 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26735 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26735 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26735 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26735 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Assignment _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Backbone chemical shifts of the LARA domain of RavA from E.coli, including amide nitrogen and proton, carbonyl, carbon alpha and beta and detectable non-ambiguous side chain carbons. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'COCBCA (H[N[co[{CA|ca[C]}]]])' 1 $LARA isotropic 26735 1 2 'CCCONH (C_ccoNH.relayed)' 1 $LARA isotropic 26735 1 3 '3D HNCACB' 1 $LARA isotropic 26735 1 4 'CACO (H[N[ca[CO]]])' 1 $LARA isotropic 26735 1 5 '3D HNCA' 1 $LARA isotropic 26735 1 6 '3D HN(CO)CA' 1 $LARA isotropic 26735 1 7 '3D HNCO' 1 $LARA isotropic 26735 1 8 '2D 1H-15N HSQC/HMQC' 1 $LARA isotropic 26735 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26735 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 169.690 . . 1 . 482 . . 1 GLY C . 26735 1 2 . 1 1 1 1 GLY CA C 13 42.897 . . 1 . 3 . . 1 GLY CA . 26735 1 3 . 1 1 2 2 HIS H H 1 8.660 0.002 . 1 . 1 . . 2 HIS H . 26735 1 4 . 1 1 2 2 HIS C C 13 174.173 0.026 . 1 . 481 . . 2 HIS C . 26735 1 5 . 1 1 2 2 HIS CA C 13 55.195 0.039 . 1 . 4 . . 2 HIS CA . 26735 1 6 . 1 1 2 2 HIS CB C 13 28.927 0.037 . 1 . 485 . . 2 HIS CB . 26735 1 7 . 1 1 2 2 HIS N N 15 118.217 0.059 . 1 . 2 . . 2 HIS N . 26735 1 8 . 1 1 3 3 MET H H 1 8.487 0.004 . 1 . 483 . . 3 MET H . 26735 1 9 . 1 1 3 3 MET C C 13 175.812 . . 1 . 631 . . 3 MET C . 26735 1 10 . 1 1 3 3 MET CA C 13 55.457 . . 1 . 661 . . 3 MET CA . 26735 1 11 . 1 1 3 3 MET CB C 13 32.456 0.012 . 1 . 660 . . 3 MET CB . 26735 1 12 . 1 1 3 3 MET N N 15 123.210 0.132 . 1 . 484 . . 3 MET N . 26735 1 13 . 1 1 4 4 GLN H H 1 8.427 0.001 . 1 . 487 . . 4 GLN H . 26735 1 14 . 1 1 4 4 GLN C C 13 175.861 0.04 . 1 . 489 . . 4 GLN C . 26735 1 15 . 1 1 4 4 GLN CA C 13 55.530 . . 1 . 490 . . 4 GLN CA . 26735 1 16 . 1 1 4 4 GLN CB C 13 29.185 . . 1 . 663 . . 4 GLN CB . 26735 1 17 . 1 1 4 4 GLN N N 15 122.889 0.035 . 1 . 488 . . 4 GLN N . 26735 1 18 . 1 1 5 5 GLN H H 1 8.416 . . 1 . 658 . . 5 GLN H . 26735 1 19 . 1 1 5 5 GLN C C 13 175.821 . . 1 . 664 . . 5 GLN C . 26735 1 20 . 1 1 5 5 GLN CA C 13 55.789 . . 1 . 17 . . 5 GLN CA . 26735 1 21 . 1 1 5 5 GLN CB C 13 29.249 . . 1 . 19 . . 5 GLN CB . 26735 1 22 . 1 1 5 5 GLN CG C 13 33.537 . . 1 . 18 . . 5 GLN CG . 26735 1 23 . 1 1 5 5 GLN N N 15 123.228 . . 1 . 659 . . 5 GLN N . 26735 1 24 . 1 1 6 6 SER H H 1 8.285 0.001 . 1 . 491 . . 6 SER H . 26735 1 25 . 1 1 6 6 SER C C 13 174.258 0.012 . 1 . 494 . . 6 SER C . 26735 1 26 . 1 1 6 6 SER CA C 13 58.210 . . 1 . 341 . . 6 SER CA . 26735 1 27 . 1 1 6 6 SER CB C 13 63.357 . . 1 . 495 . . 6 SER CB . 26735 1 28 . 1 1 6 6 SER N N 15 117.540 0.128 . 1 . 492 . . 6 SER N . 26735 1 29 . 1 1 7 7 ASP H H 1 8.292 0.002 . 1 . 9 . . 7 ASP H . 26735 1 30 . 1 1 7 7 ASP C C 13 175.983 0.021 . 1 . 496 . . 7 ASP C . 26735 1 31 . 1 1 7 7 ASP CA C 13 53.834 0.045 . 1 . 12 . . 7 ASP CA . 26735 1 32 . 1 1 7 7 ASP CB C 13 39.788 0.014 . 1 . 11 . . 7 ASP CB . 26735 1 33 . 1 1 7 7 ASP N N 15 122.944 0.002 . 1 . 10 . . 7 ASP N . 26735 1 34 . 1 1 8 8 LYS H H 1 8.048 0.002 . 1 . 20 . . 8 LYS H . 26735 1 35 . 1 1 8 8 LYS C C 13 176.499 0.009 . 1 . 497 . . 8 LYS C . 26735 1 36 . 1 1 8 8 LYS CA C 13 56.226 0.001 . 1 . 22 . . 8 LYS CA . 26735 1 37 . 1 1 8 8 LYS CB C 13 32.618 0.086 . 1 . 23 . . 8 LYS CB . 26735 1 38 . 1 1 8 8 LYS CG C 13 24.478 . . 1 . 28 . . 8 LYS CG . 26735 1 39 . 1 1 8 8 LYS N N 15 121.378 0.019 . 1 . 21 . . 8 LYS N . 26735 1 40 . 1 1 9 9 THR H H 1 7.897 0.002 . 1 . 24 . . 9 THR H . 26735 1 41 . 1 1 9 9 THR C C 13 173.659 0.023 . 1 . 498 . . 9 THR C . 26735 1 42 . 1 1 9 9 THR CA C 13 61.510 0.048 . 1 . 27 . . 9 THR CA . 26735 1 43 . 1 1 9 9 THR CB C 13 69.578 0.017 . 1 . 26 . . 9 THR CB . 26735 1 44 . 1 1 9 9 THR CG2 C 13 21.660 . . 1 . 34 . . 9 THR CG2 . 26735 1 45 . 1 1 9 9 THR N N 15 113.741 0.122 . 1 . 25 . . 9 THR N . 26735 1 46 . 1 1 10 10 ALA H H 1 7.773 0.003 . 1 . 632 . . 10 ALA H . 26735 1 47 . 1 1 10 10 ALA C C 13 176.867 0.02 . 1 . 499 . . 10 ALA C . 26735 1 48 . 1 1 10 10 ALA CA C 13 52.178 0.063 . 1 . 31 . . 10 ALA CA . 26735 1 49 . 1 1 10 10 ALA CB C 13 17.517 0.04 . 1 . 32 . . 10 ALA CB . 26735 1 50 . 1 1 10 10 ALA N N 15 126.731 0.151 . 1 . 29 . . 10 ALA N . 26735 1 51 . 1 1 11 11 LEU H H 1 7.880 0.003 . 1 . 35 . . 11 LEU H . 26735 1 52 . 1 1 11 11 LEU C C 13 175.888 0.033 . 1 . 500 . . 11 LEU C . 26735 1 53 . 1 1 11 11 LEU CA C 13 55.438 0.035 . 1 . 41 . . 11 LEU CA . 26735 1 54 . 1 1 11 11 LEU CB C 13 41.948 0.003 . 1 . 42 . . 11 LEU CB . 26735 1 55 . 1 1 11 11 LEU N N 15 124.279 0.164 . 1 . 36 . . 11 LEU N . 26735 1 56 . 1 1 12 12 THR H H 1 8.709 0.003 . 1 . 37 . . 12 THR H . 26735 1 57 . 1 1 12 12 THR C C 13 174.888 0.014 . 1 . 501 . . 12 THR C . 26735 1 58 . 1 1 12 12 THR CA C 13 61.388 0.036 . 1 . 40 . . 12 THR CA . 26735 1 59 . 1 1 12 12 THR CB C 13 69.421 0.033 . 1 . 39 . . 12 THR CB . 26735 1 60 . 1 1 12 12 THR CG2 C 13 21.245 . . 1 . 46 . . 12 THR CG2 . 26735 1 61 . 1 1 12 12 THR N N 15 126.939 0.06 . 1 . 38 . . 12 THR N . 26735 1 62 . 1 1 13 13 VAL H H 1 8.547 0.003 . 1 . 43 . . 13 VAL H . 26735 1 63 . 1 1 13 13 VAL C C 13 173.494 0.045 . 1 . 502 . . 13 VAL C . 26735 1 64 . 1 1 13 13 VAL CA C 13 60.411 0.046 . 1 . 45 . . 13 VAL CA . 26735 1 65 . 1 1 13 13 VAL CB C 13 31.746 0.006 . 1 . 47 . . 13 VAL CB . 26735 1 66 . 1 1 13 13 VAL N N 15 118.571 0.117 . 1 . 44 . . 13 VAL N . 26735 1 67 . 1 1 14 14 ILE H H 1 8.357 0.003 . 1 . 49 . . 14 ILE H . 26735 1 68 . 1 1 14 14 ILE C C 13 176.093 0.007 . 1 . 503 . . 14 ILE C . 26735 1 69 . 1 1 14 14 ILE CA C 13 59.151 0.052 . 1 . 50 . . 14 ILE CA . 26735 1 70 . 1 1 14 14 ILE CB C 13 39.729 0.088 . 1 . 51 . . 14 ILE CB . 26735 1 71 . 1 1 14 14 ILE N N 15 117.680 0.112 . 1 . 48 . . 14 ILE N . 26735 1 72 . 1 1 15 15 ARG H H 1 8.754 0.004 . 1 . 52 . . 15 ARG H . 26735 1 73 . 1 1 15 15 ARG C C 13 175.950 0.005 . 1 . 504 . . 15 ARG C . 26735 1 74 . 1 1 15 15 ARG CA C 13 56.774 0.062 . 1 . 54 . . 15 ARG CA . 26735 1 75 . 1 1 15 15 ARG CB C 13 30.911 0.021 . 1 . 55 . . 15 ARG CB . 26735 1 76 . 1 1 15 15 ARG N N 15 126.412 0.024 . 1 . 53 . . 15 ARG N . 26735 1 77 . 1 1 16 16 LEU H H 1 7.873 0.002 . 1 . 56 . . 16 LEU H . 26735 1 78 . 1 1 16 16 LEU C C 13 176.558 0.019 . 1 . 505 . . 16 LEU C . 26735 1 79 . 1 1 16 16 LEU CA C 13 54.467 0.028 . 1 . 59 . . 16 LEU CA . 26735 1 80 . 1 1 16 16 LEU CB C 13 42.513 0.064 . 1 . 60 . . 16 LEU CB . 26735 1 81 . 1 1 16 16 LEU N N 15 128.130 0.042 . 1 . 57 . . 16 LEU N . 26735 1 82 . 1 1 17 17 GLY H H 1 8.313 0.002 . 1 . 61 . . 17 GLY H . 26735 1 83 . 1 1 17 17 GLY C C 13 174.057 0.01 . 1 . 506 . . 17 GLY C . 26735 1 84 . 1 1 17 17 GLY CA C 13 44.644 0.025 . 1 . 64 . . 17 GLY CA . 26735 1 85 . 1 1 17 17 GLY N N 15 111.323 0.014 . 1 . 62 . . 17 GLY N . 26735 1 86 . 1 1 18 18 GLY H H 1 7.939 0.002 . 1 . 70 . . 18 GLY H . 26735 1 87 . 1 1 18 18 GLY C C 13 174.056 . . 1 . 508 . . 18 GLY C . 26735 1 88 . 1 1 18 18 GLY CA C 13 44.628 . . 1 . 74 . . 18 GLY CA . 26735 1 89 . 1 1 18 18 GLY N N 15 109.572 . . 1 . 69 . . 18 GLY N . 26735 1 90 . 1 1 19 19 ILE H H 1 7.827 0.002 . 1 . 71 . . 19 ILE H . 26735 1 91 . 1 1 19 19 ILE C C 13 176.218 . . 1 . 509 . . 19 ILE C . 26735 1 92 . 1 1 19 19 ILE CA C 13 61.671 0.008 . 1 . 75 . . 19 ILE CA . 26735 1 93 . 1 1 19 19 ILE CB C 13 38.550 0.002 . 1 . 73 . . 19 ILE CB . 26735 1 94 . 1 1 19 19 ILE CG1 C 13 26.663 . . 1 . 312 . . 19 ILE CG1 . 26735 1 95 . 1 1 19 19 ILE CG2 C 13 17.019 . . 1 . 313 . . 19 ILE CG2 . 26735 1 96 . 1 1 19 19 ILE CD1 C 13 13.032 . . 1 . 314 . . 19 ILE CD1 . 26735 1 97 . 1 1 19 19 ILE N N 15 118.852 0.084 . 1 . 72 . . 19 ILE N . 26735 1 98 . 1 1 20 20 PHE H H 1 8.217 0.003 . 1 . 309 . . 20 PHE H . 26735 1 99 . 1 1 20 20 PHE C C 13 175.531 0.014 . 1 . 510 . . 20 PHE C . 26735 1 100 . 1 1 20 20 PHE CA C 13 57.415 0.042 . 1 . 307 . . 20 PHE CA . 26735 1 101 . 1 1 20 20 PHE CB C 13 38.612 . . 1 . 308 . . 20 PHE CB . 26735 1 102 . 1 1 20 20 PHE N N 15 123.029 0.008 . 1 . 310 . . 20 PHE N . 26735 1 103 . 1 1 21 21 SER H H 1 7.616 0.002 . 1 . 303 . . 21 SER H . 26735 1 104 . 1 1 21 21 SER C C 13 174.306 . . 1 . 511 . . 21 SER C . 26735 1 105 . 1 1 21 21 SER CA C 13 58.096 0.01 . 1 . 306 . . 21 SER CA . 26735 1 106 . 1 1 21 21 SER CB C 13 63.596 0.058 . 1 . 305 . . 21 SER CB . 26735 1 107 . 1 1 21 21 SER N N 15 117.358 0.001 . 1 . 304 . . 21 SER N . 26735 1 108 . 1 1 22 22 ARG H H 1 8.273 0.004 . 1 . 342 . . 22 ARG H . 26735 1 109 . 1 1 22 22 ARG C C 13 175.943 0.001 . 1 . 512 . . 22 ARG C . 26735 1 110 . 1 1 22 22 ARG CA C 13 56.646 0.064 . 1 . 346 . . 22 ARG CA . 26735 1 111 . 1 1 22 22 ARG CB C 13 29.723 0.05 . 1 . 344 . . 22 ARG CB . 26735 1 112 . 1 1 22 22 ARG CG C 13 27.035 . . 1 . 350 . . 22 ARG CG . 26735 1 113 . 1 1 22 22 ARG N N 15 121.852 0.187 . 1 . 343 . . 22 ARG N . 26735 1 114 . 1 1 23 23 ARG H H 1 7.788 0.001 . 1 . 348 . . 23 ARG H . 26735 1 115 . 1 1 23 23 ARG C C 13 175.236 0.016 . 1 . 513 . . 23 ARG C . 26735 1 116 . 1 1 23 23 ARG CA C 13 55.211 0.012 . 1 . 351 . . 23 ARG CA . 26735 1 117 . 1 1 23 23 ARG CB C 13 30.525 0.012 . 1 . 352 . . 23 ARG CB . 26735 1 118 . 1 1 23 23 ARG CG C 13 26.844 . . 1 . 357 . . 23 ARG CG . 26735 1 119 . 1 1 23 23 ARG CD C 13 42.922 . . 1 . 358 . . 23 ARG CD . 26735 1 120 . 1 1 23 23 ARG N N 15 120.234 0.102 . 1 . 349 . . 23 ARG N . 26735 1 121 . 1 1 24 24 GLN H H 1 8.328 0.003 . 1 . 353 . . 24 GLN H . 26735 1 122 . 1 1 24 24 GLN C C 13 174.146 0.026 . 1 . 514 . . 24 GLN C . 26735 1 123 . 1 1 24 24 GLN CA C 13 55.085 . . 1 . 361 . . 24 GLN CA . 26735 1 124 . 1 1 24 24 GLN CB C 13 28.270 0.067 . 1 . 356 . . 24 GLN CB . 26735 1 125 . 1 1 24 24 GLN N N 15 124.038 0.032 . 1 . 354 . . 24 GLN N . 26735 1 126 . 1 1 25 25 GLN H H 1 7.615 0.002 . 1 . 359 . . 25 GLN H . 26735 1 127 . 1 1 25 25 GLN C C 13 174.264 . . 1 . 650 . . 25 GLN C . 26735 1 128 . 1 1 25 25 GLN CA C 13 54.941 0.001 . 1 . 649 . . 25 GLN CA . 26735 1 129 . 1 1 25 25 GLN CB C 13 32.269 0.055 . 1 . 648 . . 25 GLN CB . 26735 1 130 . 1 1 25 25 GLN N N 15 121.962 0.115 . 1 . 360 . . 25 GLN N . 26735 1 131 . 1 1 26 26 TYR H H 1 7.617 0.001 . 1 . 646 . . 26 TYR H . 26735 1 132 . 1 1 26 26 TYR C C 13 173.224 0.027 . 1 . 651 . . 26 TYR C . 26735 1 133 . 1 1 26 26 TYR CA C 13 55.805 0.021 . 1 . 338 . . 26 TYR CA . 26735 1 134 . 1 1 26 26 TYR CB C 13 43.272 0.001 . 1 . 652 . . 26 TYR CB . 26735 1 135 . 1 1 26 26 TYR N N 15 120.107 0.014 . 1 . 647 . . 26 TYR N . 26735 1 136 . 1 1 27 27 GLN H H 1 8.922 0.003 . 1 . 335 . . 27 GLN H . 26735 1 137 . 1 1 27 27 GLN C C 13 174.264 0.036 . 1 . 653 . . 27 GLN C . 26735 1 138 . 1 1 27 27 GLN CA C 13 53.978 0.021 . 1 . 339 . . 27 GLN CA . 26735 1 139 . 1 1 27 27 GLN CB C 13 32.622 0.056 . 1 . 340 . . 27 GLN CB . 26735 1 140 . 1 1 27 27 GLN N N 15 115.285 0.1 . 1 . 336 . . 27 GLN N . 26735 1 141 . 1 1 28 28 LEU H H 1 8.778 0.006 . 1 . 654 . . 28 LEU H . 26735 1 142 . 1 1 28 28 LEU C C 13 175.864 . . 1 . 657 . . 28 LEU C . 26735 1 143 . 1 1 28 28 LEU CA C 13 53.275 . . 1 . 656 . . 28 LEU CA . 26735 1 144 . 1 1 28 28 LEU CB C 13 40.897 . . 1 . 382 . . 28 LEU CB . 26735 1 145 . 1 1 28 28 LEU N N 15 122.136 0.039 . 1 . 655 . . 28 LEU N . 26735 1 146 . 1 1 29 29 PRO C C 13 177.497 . . 1 . 667 . . 29 PRO C . 26735 1 147 . 1 1 29 29 PRO CA C 13 62.814 . . 1 . 666 . . 29 PRO CA . 26735 1 148 . 1 1 29 29 PRO CB C 13 31.878 . . 1 . 665 . . 29 PRO CB . 26735 1 149 . 1 1 30 30 VAL H H 1 8.213 0.004 . 1 . 515 . . 30 VAL H . 26735 1 150 . 1 1 30 30 VAL C C 13 175.877 0.008 . 1 . 517 . . 30 VAL C . 26735 1 151 . 1 1 30 30 VAL CA C 13 63.889 . . 1 . 78 . . 30 VAL CA . 26735 1 152 . 1 1 30 30 VAL CB C 13 31.649 . . 1 . 82 . . 30 VAL CB . 26735 1 153 . 1 1 30 30 VAL CG2 C 13 20.345 . . 1 . 81 . . 30 VAL CG2 . 26735 1 154 . 1 1 30 30 VAL N N 15 118.529 0.025 . 1 . 516 . . 30 VAL N . 26735 1 155 . 1 1 31 31 ASN H H 1 7.949 0.002 . 1 . 76 . . 31 ASN H . 26735 1 156 . 1 1 31 31 ASN C C 13 174.933 . . 1 . 518 . . 31 ASN C . 26735 1 157 . 1 1 31 31 ASN CA C 13 52.945 0.035 . 1 . 79 . . 31 ASN CA . 26735 1 158 . 1 1 31 31 ASN CB C 13 36.849 0.039 . 1 . 80 . . 31 ASN CB . 26735 1 159 . 1 1 31 31 ASN N N 15 114.966 0.018 . 1 . 77 . . 31 ASN N . 26735 1 160 . 1 1 32 32 VAL H H 1 7.386 0.003 . 1 . 83 . . 32 VAL H . 26735 1 161 . 1 1 32 32 VAL C C 13 175.216 0.017 . 1 . 519 . . 32 VAL C . 26735 1 162 . 1 1 32 32 VAL CA C 13 61.999 0.015 . 1 . 85 . . 32 VAL CA . 26735 1 163 . 1 1 32 32 VAL CB C 13 30.311 0.014 . 1 . 86 . . 32 VAL CB . 26735 1 164 . 1 1 32 32 VAL CG1 C 13 22.979 . . 2 . 92 . . 32 VAL CG1 . 26735 1 165 . 1 1 32 32 VAL CG2 C 13 21.213 . . 2 . 93 . . 32 VAL CG2 . 26735 1 166 . 1 1 32 32 VAL N N 15 123.626 0.003 . 1 . 84 . . 32 VAL N . 26735 1 167 . 1 1 33 33 THR H H 1 7.811 0.003 . 1 . 87 . . 33 THR H . 26735 1 168 . 1 1 33 33 THR C C 13 174.841 0.008 . 1 . 520 . . 33 THR C . 26735 1 169 . 1 1 33 33 THR CA C 13 61.171 0.003 . 1 . 90 . . 33 THR CA . 26735 1 170 . 1 1 33 33 THR CB C 13 70.128 0.033 . 1 . 89 . . 33 THR CB . 26735 1 171 . 1 1 33 33 THR CG2 C 13 21.640 . . 1 . 97 . . 33 THR CG2 . 26735 1 172 . 1 1 33 33 THR N N 15 115.742 0.111 . 1 . 88 . . 33 THR N . 26735 1 173 . 1 1 34 34 ALA H H 1 7.803 0.003 . 1 . 94 . . 34 ALA H . 26735 1 174 . 1 1 34 34 ALA C C 13 176.340 0.008 . 1 . 521 . . 34 ALA C . 26735 1 175 . 1 1 34 34 ALA CA C 13 52.944 0.002 . 1 . 98 . . 34 ALA CA . 26735 1 176 . 1 1 34 34 ALA CB C 13 19.252 0.006 . 1 . 96 . . 34 ALA CB . 26735 1 177 . 1 1 34 34 ALA N N 15 128.507 0.066 . 1 . 95 . . 34 ALA N . 26735 1 178 . 1 1 35 35 SER H H 1 8.209 0.003 . 1 . 99 . . 35 SER H . 26735 1 179 . 1 1 35 35 SER C C 13 176.015 . . 1 . 522 . . 35 SER C . 26735 1 180 . 1 1 35 35 SER CA C 13 61.286 0.002 . 1 . 101 . . 35 SER CA . 26735 1 181 . 1 1 35 35 SER CB C 13 62.720 0.039 . 1 . 102 . . 35 SER CB . 26735 1 182 . 1 1 35 35 SER N N 15 114.221 0.007 . 1 . 100 . . 35 SER N . 26735 1 183 . 1 1 36 36 THR H H 1 7.680 0.002 . 1 . 104 . . 36 THR H . 26735 1 184 . 1 1 36 36 THR C C 13 172.488 0.007 . 1 . 523 . . 36 THR C . 26735 1 185 . 1 1 36 36 THR CA C 13 61.667 0.016 . 1 . 106 . . 36 THR CA . 26735 1 186 . 1 1 36 36 THR CB C 13 70.023 0.066 . 1 . 105 . . 36 THR CB . 26735 1 187 . 1 1 36 36 THR CG2 C 13 21.175 . . 1 . 109 . . 36 THR CG2 . 26735 1 188 . 1 1 36 36 THR N N 15 118.509 0.013 . 1 . 103 . . 36 THR N . 26735 1 189 . 1 1 37 37 LEU H H 1 9.066 0.001 . 1 . 107 . . 37 LEU H . 26735 1 190 . 1 1 37 37 LEU C C 13 174.954 0.032 . 1 . 524 . . 37 LEU C . 26735 1 191 . 1 1 37 37 LEU CA C 13 52.985 0.015 . 1 . 111 . . 37 LEU CA . 26735 1 192 . 1 1 37 37 LEU CB C 13 44.458 0.011 . 1 . 110 . . 37 LEU CB . 26735 1 193 . 1 1 37 37 LEU N N 15 127.057 0.003 . 1 . 108 . . 37 LEU N . 26735 1 194 . 1 1 38 38 THR H H 1 8.424 0.004 . 1 . 272 . . 38 THR H . 26735 1 195 . 1 1 38 38 THR C C 13 172.985 0.025 . 1 . 525 . . 38 THR C . 26735 1 196 . 1 1 38 38 THR CA C 13 62.470 0.044 . 1 . 274 . . 38 THR CA . 26735 1 197 . 1 1 38 38 THR CB C 13 68.416 0.018 . 1 . 275 . . 38 THR CB . 26735 1 198 . 1 1 38 38 THR CG2 C 13 21.505 . . 1 . 279 . . 38 THR CG2 . 26735 1 199 . 1 1 38 38 THR N N 15 123.458 0.006 . 1 . 273 . . 38 THR N . 26735 1 200 . 1 1 39 39 LEU H H 1 8.635 0.003 . 1 . 276 . . 39 LEU H . 26735 1 201 . 1 1 39 39 LEU C C 13 175.128 0.016 . 1 . 526 . . 39 LEU C . 26735 1 202 . 1 1 39 39 LEU CA C 13 52.462 0.013 . 1 . 280 . . 39 LEU CA . 26735 1 203 . 1 1 39 39 LEU CB C 13 44.609 0.085 . 1 . 278 . . 39 LEU CB . 26735 1 204 . 1 1 39 39 LEU N N 15 125.065 0.009 . 1 . 277 . . 39 LEU N . 26735 1 205 . 1 1 40 40 LEU H H 1 9.217 0.004 . 1 . 281 . . 40 LEU H . 26735 1 206 . 1 1 40 40 LEU C C 13 176.335 0.027 . 1 . 529 . . 40 LEU C . 26735 1 207 . 1 1 40 40 LEU CA C 13 53.667 0.005 . 1 . 283 . . 40 LEU CA . 26735 1 208 . 1 1 40 40 LEU CB C 13 44.015 . . 1 . 284 . . 40 LEU CB . 26735 1 209 . 1 1 40 40 LEU N N 15 123.304 0.05 . 1 . 282 . . 40 LEU N . 26735 1 210 . 1 1 41 41 LEU H H 1 7.781 0.004 . 1 . 460 . . 41 LEU H . 26735 1 211 . 1 1 41 41 LEU C C 13 176.424 . . 1 . 530 . . 41 LEU C . 26735 1 212 . 1 1 41 41 LEU CA C 13 57.114 0.074 . 1 . 462 . . 41 LEU CA . 26735 1 213 . 1 1 41 41 LEU CB C 13 40.262 0.001 . 1 . 376 . . 41 LEU CB . 26735 1 214 . 1 1 41 41 LEU N N 15 126.265 0.064 . 1 . 461 . . 41 LEU N . 26735 1 215 . 1 1 42 42 GLN H H 1 7.861 0.003 . 1 . 465 . . 42 GLN H . 26735 1 216 . 1 1 42 42 GLN C C 13 175.712 0.001 . 1 . 531 . . 42 GLN C . 26735 1 217 . 1 1 42 42 GLN CA C 13 58.792 0.031 . 1 . 467 . . 42 GLN CA . 26735 1 218 . 1 1 42 42 GLN CB C 13 28.179 0.083 . 1 . 469 . . 42 GLN CB . 26735 1 219 . 1 1 42 42 GLN N N 15 124.128 0.003 . 1 . 466 . . 42 GLN N . 26735 1 220 . 1 1 43 43 LYS H H 1 7.868 0.001 . 1 . 634 . . 43 LYS H . 26735 1 221 . 1 1 43 43 LYS C C 13 171.449 . . 1 . 532 . . 43 LYS C . 26735 1 222 . 1 1 43 43 LYS CA C 13 52.390 . . 1 . 472 . . 43 LYS CA . 26735 1 223 . 1 1 43 43 LYS CB C 13 34.091 . . 1 . 471 . . 43 LYS CB . 26735 1 224 . 1 1 43 43 LYS N N 15 119.466 0.013 . 1 . 470 . . 43 LYS N . 26735 1 225 . 1 1 44 44 PRO C C 13 175.520 . . 1 . 533 . . 44 PRO C . 26735 1 226 . 1 1 44 44 PRO CA C 13 63.664 . . 1 . 114 . . 44 PRO CA . 26735 1 227 . 1 1 44 44 PRO CB C 13 32.085 . . 1 . 117 . . 44 PRO CB . 26735 1 228 . 1 1 45 45 LEU H H 1 7.034 0.003 . 1 . 112 . . 45 LEU H . 26735 1 229 . 1 1 45 45 LEU C C 13 174.748 0.014 . 1 . 534 . . 45 LEU C . 26735 1 230 . 1 1 45 45 LEU CA C 13 52.391 0.037 . 1 . 115 . . 45 LEU CA . 26735 1 231 . 1 1 45 45 LEU CB C 13 47.592 0.053 . 1 . 116 . . 45 LEU CB . 26735 1 232 . 1 1 45 45 LEU N N 15 120.653 0.064 . 1 . 113 . . 45 LEU N . 26735 1 233 . 1 1 46 46 LYS H H 1 8.770 0.003 . 1 . 118 . . 46 LYS H . 26735 1 234 . 1 1 46 46 LYS C C 13 175.558 0.006 . 1 . 535 . . 46 LYS C . 26735 1 235 . 1 1 46 46 LYS CA C 13 54.547 0.014 . 1 . 121 . . 46 LYS CA . 26735 1 236 . 1 1 46 46 LYS CB C 13 31.413 0.096 . 1 . 120 . . 46 LYS CB . 26735 1 237 . 1 1 46 46 LYS N N 15 123.599 0.072 . 1 . 119 . . 46 LYS N . 26735 1 238 . 1 1 47 47 LEU H H 1 8.239 0.003 . 1 . 397 . . 47 LEU H . 26735 1 239 . 1 1 47 47 LEU C C 13 175.550 . . 1 . 536 . . 47 LEU C . 26735 1 240 . 1 1 47 47 LEU CA C 13 52.939 0.005 . 1 . 400 . . 47 LEU CA . 26735 1 241 . 1 1 47 47 LEU CB C 13 44.298 0.04 . 1 . 401 . . 47 LEU CB . 26735 1 242 . 1 1 47 47 LEU N N 15 125.960 0.06 . 1 . 398 . . 47 LEU N . 26735 1 243 . 1 1 48 48 HIS H H 1 9.088 0.002 . 1 . 402 . . 48 HIS H . 26735 1 244 . 1 1 48 48 HIS C C 13 173.499 0.018 . 1 . 537 . . 48 HIS C . 26735 1 245 . 1 1 48 48 HIS CA C 13 56.149 0.027 . 1 . 404 . . 48 HIS CA . 26735 1 246 . 1 1 48 48 HIS CB C 13 26.201 0.015 . 1 . 405 . . 48 HIS CB . 26735 1 247 . 1 1 48 48 HIS N N 15 119.659 0.168 . 1 . 403 . . 48 HIS N . 26735 1 248 . 1 1 49 49 ASP H H 1 8.558 0.002 . 1 . 406 . . 49 ASP H . 26735 1 249 . 1 1 49 49 ASP C C 13 173.695 0.014 . 1 . 538 . . 49 ASP C . 26735 1 250 . 1 1 49 49 ASP CA C 13 55.310 0.023 . 1 . 409 . . 49 ASP CA . 26735 1 251 . 1 1 49 49 ASP CB C 13 38.878 0.007 . 1 . 408 . . 49 ASP CB . 26735 1 252 . 1 1 49 49 ASP N N 15 109.277 0.009 . 1 . 407 . . 49 ASP N . 26735 1 253 . 1 1 50 50 MET H H 1 7.646 0.002 . 1 . 635 . . 50 MET H . 26735 1 254 . 1 1 50 50 MET C C 13 173.512 0.003 . 1 . 539 . . 50 MET C . 26735 1 255 . 1 1 50 50 MET CA C 13 53.824 0.015 . 1 . 411 . . 50 MET CA . 26735 1 256 . 1 1 50 50 MET CB C 13 35.564 0.042 . 1 . 412 . . 50 MET CB . 26735 1 257 . 1 1 50 50 MET CG C 13 30.596 . . 1 . 418 . . 50 MET CG . 26735 1 258 . 1 1 50 50 MET N N 15 119.021 0.125 . 1 . 410 . . 50 MET N . 26735 1 259 . 1 1 51 51 GLU H H 1 8.538 0.003 . 1 . 414 . . 51 GLU H . 26735 1 260 . 1 1 51 51 GLU C C 13 175.297 0.002 . 1 . 540 . . 51 GLU C . 26735 1 261 . 1 1 51 51 GLU CA C 13 55.672 0.014 . 1 . 417 . . 51 GLU CA . 26735 1 262 . 1 1 51 51 GLU CB C 13 27.138 0.043 . 1 . 416 . . 51 GLU CB . 26735 1 263 . 1 1 51 51 GLU N N 15 123.099 0.089 . 1 . 415 . . 51 GLU N . 26735 1 264 . 1 1 52 52 VAL H H 1 9.239 0.003 . 1 . 419 . . 52 VAL H . 26735 1 265 . 1 1 52 52 VAL C C 13 173.486 0.009 . 1 . 541 . . 52 VAL C . 26735 1 266 . 1 1 52 52 VAL CA C 13 63.409 0.041 . 1 . 422 . . 52 VAL CA . 26735 1 267 . 1 1 52 52 VAL CB C 13 31.693 0.027 . 1 . 421 . . 52 VAL CB . 26735 1 268 . 1 1 52 52 VAL N N 15 132.545 0.007 . 1 . 420 . . 52 VAL N . 26735 1 269 . 1 1 53 53 VAL H H 1 8.851 0.003 . 1 . 423 . . 53 VAL H . 26735 1 270 . 1 1 53 53 VAL C C 13 176.737 . . 1 . 542 . . 53 VAL C . 26735 1 271 . 1 1 53 53 VAL CA C 13 61.527 0.037 . 1 . 425 . . 53 VAL CA . 26735 1 272 . 1 1 53 53 VAL CB C 13 33.380 0.027 . 1 . 426 . . 53 VAL CB . 26735 1 273 . 1 1 53 53 VAL N N 15 121.019 0.019 . 1 . 424 . . 53 VAL N . 26735 1 274 . 1 1 54 54 HIS H H 1 7.679 0.003 . 1 . 427 . . 54 HIS H . 26735 1 275 . 1 1 54 54 HIS C C 13 172.380 0.049 . 1 . 543 . . 54 HIS C . 26735 1 276 . 1 1 54 54 HIS CA C 13 54.366 0.006 . 1 . 430 . . 54 HIS CA . 26735 1 277 . 1 1 54 54 HIS CB C 13 32.049 0.025 . 1 . 429 . . 54 HIS CB . 26735 1 278 . 1 1 54 54 HIS N N 15 115.878 0.002 . 1 . 428 . . 54 HIS N . 26735 1 279 . 1 1 55 55 ILE H H 1 8.860 0.004 . 1 . 636 . . 55 ILE H . 26735 1 280 . 1 1 55 55 ILE C C 13 174.113 . . 1 . 547 . . 55 ILE C . 26735 1 281 . 1 1 55 55 ILE CA C 13 60.171 0.024 . 1 . 302 . . 55 ILE CA . 26735 1 282 . 1 1 55 55 ILE CB C 13 42.954 0.083 . 1 . 432 . . 55 ILE CB . 26735 1 283 . 1 1 55 55 ILE N N 15 120.063 0.03 . 1 . 431 . . 55 ILE N . 26735 1 284 . 1 1 56 56 SER H H 1 8.124 0.004 . 1 . 300 . . 56 SER H . 26735 1 285 . 1 1 56 56 SER C C 13 172.163 0.041 . 1 . 548 . . 56 SER C . 26735 1 286 . 1 1 56 56 SER CA C 13 55.526 0.004 . 1 . 298 . . 56 SER CA . 26735 1 287 . 1 1 56 56 SER CB C 13 65.195 0.085 . 1 . 296 . . 56 SER CB . 26735 1 288 . 1 1 56 56 SER N N 15 120.822 0.008 . 1 . 301 . . 56 SER N . 26735 1 289 . 1 1 57 57 PHE H H 1 9.022 0.003 . 1 . 294 . . 57 PHE H . 26735 1 290 . 1 1 57 57 PHE C C 13 176.019 0.021 . 1 . 549 . . 57 PHE C . 26735 1 291 . 1 1 57 57 PHE CA C 13 55.897 0.01 . 1 . 297 . . 57 PHE CA . 26735 1 292 . 1 1 57 57 PHE CB C 13 43.330 0.006 . 1 . 299 . . 57 PHE CB . 26735 1 293 . 1 1 57 57 PHE N N 15 120.548 0.019 . 1 . 295 . . 57 PHE N . 26735 1 294 . 1 1 58 58 GLU H H 1 8.520 0.001 . 1 . 550 . . 58 GLU H . 26735 1 295 . 1 1 58 58 GLU C C 13 177.181 0.004 . 1 . 556 . . 58 GLU C . 26735 1 296 . 1 1 58 58 GLU CA C 13 55.691 0.006 . 1 . 554 . . 58 GLU CA . 26735 1 297 . 1 1 58 58 GLU CB C 13 28.801 . . 1 . 555 . . 58 GLU CB . 26735 1 298 . 1 1 58 58 GLU N N 15 121.750 0.0 . 1 . 551 . . 58 GLU N . 26735 1 299 . 1 1 59 59 ARG H H 1 8.771 0.001 . 1 . 557 . . 59 ARG H . 26735 1 300 . 1 1 59 59 ARG C C 13 177.910 0.007 . 1 . 561 . . 59 ARG C . 26735 1 301 . 1 1 59 59 ARG CA C 13 60.989 0.007 . 1 . 560 . . 59 ARG CA . 26735 1 302 . 1 1 59 59 ARG CB C 13 29.179 0.005 . 1 . 559 . . 59 ARG CB . 26735 1 303 . 1 1 59 59 ARG N N 15 131.267 . . 1 . 558 . . 59 ARG N . 26735 1 304 . 1 1 60 60 SER H H 1 8.960 0.004 . 1 . 563 . . 60 SER H . 26735 1 305 . 1 1 60 60 SER C C 13 176.781 . . 1 . 564 . . 60 SER C . 26735 1 306 . 1 1 60 60 SER CA C 13 60.854 0.059 . 1 . 125 . . 60 SER CA . 26735 1 307 . 1 1 60 60 SER CB C 13 61.334 . . 1 . 126 . . 60 SER CB . 26735 1 308 . 1 1 60 60 SER N N 15 112.738 0.061 . 1 . 562 . . 60 SER N . 26735 1 309 . 1 1 61 61 ALA H H 1 6.755 0.002 . 1 . 122 . . 61 ALA H . 26735 1 310 . 1 1 61 61 ALA C C 13 180.597 0.032 . 1 . 565 . . 61 ALA C . 26735 1 311 . 1 1 61 61 ALA CA C 13 54.402 0.024 . 1 . 127 . . 61 ALA CA . 26735 1 312 . 1 1 61 61 ALA CB C 13 18.676 0.067 . 1 . 124 . . 61 ALA CB . 26735 1 313 . 1 1 61 61 ALA N N 15 125.245 0.029 . 1 . 123 . . 61 ALA N . 26735 1 314 . 1 1 62 62 LEU H H 1 7.758 0.007 . 1 . 128 . . 62 LEU H . 26735 1 315 . 1 1 62 62 LEU C C 13 177.672 . . 1 . 566 . . 62 LEU C . 26735 1 316 . 1 1 62 62 LEU CA C 13 57.524 0.022 . 1 . 135 . . 62 LEU CA . 26735 1 317 . 1 1 62 62 LEU CB C 13 41.898 0.035 . 1 . 134 . . 62 LEU CB . 26735 1 318 . 1 1 62 62 LEU N N 15 121.804 0.137 . 1 . 129 . . 62 LEU N . 26735 1 319 . 1 1 63 63 GLU H H 1 8.861 0.003 . 1 . 130 . . 63 GLU H . 26735 1 320 . 1 1 63 63 GLU C C 13 179.397 0.003 . 1 . 567 . . 63 GLU C . 26735 1 321 . 1 1 63 63 GLU CA C 13 58.889 . . 1 . 388 . . 63 GLU CA . 26735 1 322 . 1 1 63 63 GLU CB C 13 28.725 . . 1 . 387 . . 63 GLU CB . 26735 1 323 . 1 1 63 63 GLU N N 15 119.193 0.003 . 1 . 131 . . 63 GLU N . 26735 1 324 . 1 1 64 64 GLN H H 1 7.832 0.001 . 1 . 384 . . 64 GLN H . 26735 1 325 . 1 1 64 64 GLN C C 13 177.491 0.01 . 1 . 568 . . 64 GLN C . 26735 1 326 . 1 1 64 64 GLN CA C 13 58.845 0.014 . 1 . 383 . . 64 GLN CA . 26735 1 327 . 1 1 64 64 GLN CB C 13 28.191 0.027 . 1 . 386 . . 64 GLN CB . 26735 1 328 . 1 1 64 64 GLN CG C 13 33.473 . . 1 . 393 . . 64 GLN CG . 26735 1 329 . 1 1 64 64 GLN N N 15 120.221 0.018 . 1 . 385 . . 64 GLN N . 26735 1 330 . 1 1 65 65 TRP H H 1 8.094 0.002 . 1 . 389 . . 65 TRP H . 26735 1 331 . 1 1 65 65 TRP C C 13 179.216 0.02 . 1 . 569 . . 65 TRP C . 26735 1 332 . 1 1 65 65 TRP CA C 13 61.436 0.007 . 1 . 391 . . 65 TRP CA . 26735 1 333 . 1 1 65 65 TRP CB C 13 28.698 0.006 . 1 . 392 . . 65 TRP CB . 26735 1 334 . 1 1 65 65 TRP N N 15 122.368 0.144 . 1 . 390 . . 65 TRP N . 26735 1 335 . 1 1 66 66 LEU H H 1 8.593 0.004 . 1 . 394 . . 66 LEU H . 26735 1 336 . 1 1 66 66 LEU C C 13 177.858 0.031 . 1 . 570 . . 66 LEU C . 26735 1 337 . 1 1 66 66 LEU CA C 13 57.387 0.027 . 1 . 142 . . 66 LEU CA . 26735 1 338 . 1 1 66 66 LEU CB C 13 41.178 0.058 . 1 . 141 . . 66 LEU CB . 26735 1 339 . 1 1 66 66 LEU N N 15 120.515 0.026 . 1 . 395 . . 66 LEU N . 26735 1 340 . 1 1 67 67 SER H H 1 7.263 0.005 . 1 . 137 . . 67 SER H . 26735 1 341 . 1 1 67 67 SER C C 13 175.521 0.042 . 1 . 572 . . 67 SER C . 26735 1 342 . 1 1 67 67 SER CA C 13 60.116 0.026 . 1 . 140 . . 67 SER CA . 26735 1 343 . 1 1 67 67 SER CB C 13 63.737 0.022 . 1 . 139 . . 67 SER CB . 26735 1 344 . 1 1 67 67 SER N N 15 112.377 0.081 . 1 . 138 . . 67 SER N . 26735 1 345 . 1 1 68 68 LYS H H 1 8.274 0.014 . 1 . 15 . . 68 LYS H . 26735 1 346 . 1 1 68 68 LYS C C 13 177.343 0.004 . 1 . 573 . . 68 LYS C . 26735 1 347 . 1 1 68 68 LYS CA C 13 55.921 . . 1 . 147 . . 68 LYS CA . 26735 1 348 . 1 1 68 68 LYS CB C 13 34.446 . . 1 . 571 . . 68 LYS CB . 26735 1 349 . 1 1 68 68 LYS N N 15 117.502 0.118 . 1 . 16 . . 68 LYS N . 26735 1 350 . 1 1 69 69 GLY H H 1 8.359 0.001 . 1 . 145 . . 69 GLY H . 26735 1 351 . 1 1 69 69 GLY C C 13 173.282 0.029 . 1 . 574 . . 69 GLY C . 26735 1 352 . 1 1 69 69 GLY CA C 13 44.495 0.047 . 1 . 148 . . 69 GLY CA . 26735 1 353 . 1 1 69 69 GLY N N 15 112.421 0.0 . 1 . 146 . . 69 GLY N . 26735 1 354 . 1 1 70 70 GLY H H 1 8.454 0.003 . 1 . 149 . . 70 GLY H . 26735 1 355 . 1 1 70 70 GLY C C 13 173.856 0.013 . 1 . 575 . . 70 GLY C . 26735 1 356 . 1 1 70 70 GLY CA C 13 43.970 0.015 . 1 . 151 . . 70 GLY CA . 26735 1 357 . 1 1 70 70 GLY N N 15 109.823 0.081 . 1 . 150 . . 70 GLY N . 26735 1 358 . 1 1 71 71 GLU H H 1 8.508 0.002 . 1 . 328 . . 71 GLU H . 26735 1 359 . 1 1 71 71 GLU C C 13 175.378 0.016 . 1 . 576 . . 71 GLU C . 26735 1 360 . 1 1 71 71 GLU CA C 13 56.092 0.06 . 1 . 332 . . 71 GLU CA . 26735 1 361 . 1 1 71 71 GLU CB C 13 30.771 0.067 . 1 . 334 . . 71 GLU CB . 26735 1 362 . 1 1 71 71 GLU CG C 13 36.422 . . 1 . 333 . . 71 GLU CG . 26735 1 363 . 1 1 71 71 GLU N N 15 123.073 0.074 . 1 . 329 . . 71 GLU N . 26735 1 364 . 1 1 72 72 ILE H H 1 8.993 0.002 . 1 . 330 . . 72 ILE H . 26735 1 365 . 1 1 72 72 ILE C C 13 170.947 . . 1 . 577 . . 72 ILE C . 26735 1 366 . 1 1 72 72 ILE CA C 13 56.890 0.006 . 1 . 326 . . 72 ILE CA . 26735 1 367 . 1 1 72 72 ILE CB C 13 40.342 0.014 . 1 . 327 . . 72 ILE CB . 26735 1 368 . 1 1 72 72 ILE N N 15 124.139 0.005 . 1 . 331 . . 72 ILE N . 26735 1 369 . 1 1 73 73 ARG H H 1 7.698 0.002 . 1 . 324 . . 73 ARG H . 26735 1 370 . 1 1 73 73 ARG C C 13 174.738 0.024 . 1 . 578 . . 73 ARG C . 26735 1 371 . 1 1 73 73 ARG CA C 13 52.583 0.006 . 1 . 323 . . 73 ARG CA . 26735 1 372 . 1 1 73 73 ARG CB C 13 34.192 0.008 . 1 . 322 . . 73 ARG CB . 26735 1 373 . 1 1 73 73 ARG N N 15 124.187 0.005 . 1 . 325 . . 73 ARG N . 26735 1 374 . 1 1 74 74 GLY H H 1 7.906 0.002 . 1 . 320 . . 74 GLY H . 26735 1 375 . 1 1 74 74 GLY C C 13 171.972 0.004 . 1 . 579 . . 74 GLY C . 26735 1 376 . 1 1 74 74 GLY CA C 13 44.152 0.003 . 1 . 318 . . 74 GLY CA . 26735 1 377 . 1 1 74 74 GLY N N 15 103.753 0.017 . 1 . 321 . . 74 GLY N . 26735 1 378 . 1 1 75 75 LYS H H 1 8.531 0.002 . 1 . 316 . . 75 LYS H . 26735 1 379 . 1 1 75 75 LYS C C 13 177.324 0.001 . 1 . 580 . . 75 LYS C . 26735 1 380 . 1 1 75 75 LYS CA C 13 56.202 0.027 . 1 . 583 . . 75 LYS CA . 26735 1 381 . 1 1 75 75 LYS CB C 13 32.513 0.049 . 1 . 319 . . 75 LYS CB . 26735 1 382 . 1 1 75 75 LYS N N 15 120.782 0.045 . 1 . 317 . . 75 LYS N . 26735 1 383 . 1 1 76 76 LEU H H 1 9.038 0.003 . 1 . 581 . . 76 LEU H . 26735 1 384 . 1 1 76 76 LEU C C 13 176.219 0.032 . 1 . 587 . . 76 LEU C . 26735 1 385 . 1 1 76 76 LEU CA C 13 55.833 . . 1 . 584 . . 76 LEU CA . 26735 1 386 . 1 1 76 76 LEU CB C 13 38.858 . . 1 . 586 . . 76 LEU CB . 26735 1 387 . 1 1 76 76 LEU N N 15 130.609 . . 1 . 582 . . 76 LEU N . 26735 1 388 . 1 1 77 77 ASN H H 1 8.781 0.004 . 1 . 152 . . 77 ASN H . 26735 1 389 . 1 1 77 77 ASN C C 13 174.221 0.001 . 1 . 589 . . 77 ASN C . 26735 1 390 . 1 1 77 77 ASN CA C 13 54.226 . . 1 . 588 . . 77 ASN CA . 26735 1 391 . 1 1 77 77 ASN CB C 13 36.473 0.017 . 1 . 157 . . 77 ASN CB . 26735 1 392 . 1 1 77 77 ASN N N 15 120.636 0.007 . 1 . 153 . . 77 ASN N . 26735 1 393 . 1 1 78 78 GLY H H 1 7.361 0.002 . 1 . 158 . . 78 GLY H . 26735 1 394 . 1 1 78 78 GLY C C 13 172.958 0.012 . 1 . 590 . . 78 GLY C . 26735 1 395 . 1 1 78 78 GLY CA C 13 45.484 0.03 . 1 . 161 . . 78 GLY CA . 26735 1 396 . 1 1 78 78 GLY N N 15 101.735 0.005 . 1 . 159 . . 78 GLY N . 26735 1 397 . 1 1 79 79 ILE H H 1 7.057 0.003 . 1 . 162 . . 79 ILE H . 26735 1 398 . 1 1 79 79 ILE C C 13 174.343 0.024 . 1 . 591 . . 79 ILE C . 26735 1 399 . 1 1 79 79 ILE CA C 13 59.440 0.017 . 1 . 165 . . 79 ILE CA . 26735 1 400 . 1 1 79 79 ILE CB C 13 42.246 0.044 . 1 . 164 . . 79 ILE CB . 26735 1 401 . 1 1 79 79 ILE N N 15 117.020 0.065 . 1 . 163 . . 79 ILE N . 26735 1 402 . 1 1 80 80 GLY H H 1 8.126 0.003 . 1 . 166 . . 80 GLY H . 26735 1 403 . 1 1 80 80 GLY C C 13 173.138 . . 1 . 592 . . 80 GLY C . 26735 1 404 . 1 1 80 80 GLY CA C 13 44.415 0.021 . 1 . 168 . . 80 GLY CA . 26735 1 405 . 1 1 80 80 GLY N N 15 108.160 0.061 . 1 . 167 . . 80 GLY N . 26735 1 406 . 1 1 81 81 PHE H H 1 8.210 0.001 . 1 . 169 . . 81 PHE H . 26735 1 407 . 1 1 81 81 PHE C C 13 176.957 0.007 . 1 . 593 . . 81 PHE C . 26735 1 408 . 1 1 81 81 PHE CA C 13 56.161 0.008 . 1 . 172 . . 81 PHE CA . 26735 1 409 . 1 1 81 81 PHE CB C 13 39.668 0.053 . 1 . 171 . . 81 PHE CB . 26735 1 410 . 1 1 81 81 PHE N N 15 118.898 0.101 . 1 . 170 . . 81 PHE N . 26735 1 411 . 1 1 82 82 ALA H H 1 8.891 0.001 . 1 . 173 . . 82 ALA H . 26735 1 412 . 1 1 82 82 ALA C C 13 176.384 0.007 . 1 . 594 . . 82 ALA C . 26735 1 413 . 1 1 82 82 ALA CA C 13 52.784 . . 1 . 175 . . 82 ALA CA . 26735 1 414 . 1 1 82 82 ALA CB C 13 17.762 0.014 . 1 . 176 . . 82 ALA CB . 26735 1 415 . 1 1 82 82 ALA N N 15 128.326 0.036 . 1 . 174 . . 82 ALA N . 26735 1 416 . 1 1 83 83 GLN H H 1 8.415 0.002 . 1 . 379 . . 83 GLN H . 26735 1 417 . 1 1 83 83 GLN C C 13 174.801 0.052 . 1 . 595 . . 83 GLN C . 26735 1 418 . 1 1 83 83 GLN CA C 13 53.174 . . 1 . 437 . . 83 GLN CA . 26735 1 419 . 1 1 83 83 GLN CB C 13 31.216 . . 1 . 439 . . 83 GLN CB . 26735 1 420 . 1 1 83 83 GLN N N 15 123.045 0.136 . 1 . 380 . . 83 GLN N . 26735 1 421 . 1 1 84 84 LYS H H 1 8.680 0.002 . 1 . 435 . . 84 LYS H . 26735 1 422 . 1 1 84 84 LYS C C 13 176.248 0.007 . 1 . 596 . . 84 LYS C . 26735 1 423 . 1 1 84 84 LYS CA C 13 58.133 0.035 . 1 . 442 . . 84 LYS CA . 26735 1 424 . 1 1 84 84 LYS CB C 13 32.522 0.082 . 1 . 438 . . 84 LYS CB . 26735 1 425 . 1 1 84 84 LYS N N 15 121.371 0.019 . 1 . 436 . . 84 LYS N . 26735 1 426 . 1 1 85 85 LEU H H 1 8.086 0.003 . 1 . 440 . . 85 LEU H . 26735 1 427 . 1 1 85 85 LEU C C 13 175.241 0.025 . 1 . 597 . . 85 LEU C . 26735 1 428 . 1 1 85 85 LEU CA C 13 52.571 0.031 . 1 . 447 . . 85 LEU CA . 26735 1 429 . 1 1 85 85 LEU CB C 13 45.554 0.088 . 1 . 444 . . 85 LEU CB . 26735 1 430 . 1 1 85 85 LEU N N 15 124.592 0.018 . 1 . 441 . . 85 LEU N . 26735 1 431 . 1 1 86 86 ASN H H 1 9.303 0.004 . 1 . 445 . . 86 ASN H . 26735 1 432 . 1 1 86 86 ASN C C 13 172.738 0.051 . 1 . 598 . . 86 ASN C . 26735 1 433 . 1 1 86 86 ASN CA C 13 51.514 0.034 . 1 . 448 . . 86 ASN CA . 26735 1 434 . 1 1 86 86 ASN CB C 13 37.014 0.029 . 1 . 449 . . 86 ASN CB . 26735 1 435 . 1 1 86 86 ASN N N 15 121.936 0.015 . 1 . 446 . . 86 ASN N . 26735 1 436 . 1 1 87 87 LEU H H 1 7.535 0.002 . 1 . 450 . . 87 LEU H . 26735 1 437 . 1 1 87 87 LEU C C 13 175.020 0.015 . 1 . 599 . . 87 LEU C . 26735 1 438 . 1 1 87 87 LEU CA C 13 52.100 0.036 . 1 . 452 . . 87 LEU CA . 26735 1 439 . 1 1 87 87 LEU CB C 13 46.155 0.034 . 1 . 453 . . 87 LEU CB . 26735 1 440 . 1 1 87 87 LEU N N 15 125.901 0.006 . 1 . 451 . . 87 LEU N . 26735 1 441 . 1 1 88 88 GLU H H 1 8.532 0.003 . 1 . 454 . . 88 GLU H . 26735 1 442 . 1 1 88 88 GLU C C 13 173.330 0.012 . 1 . 600 . . 88 GLU C . 26735 1 443 . 1 1 88 88 GLU CA C 13 54.215 . . 1 . 456 . . 88 GLU CA . 26735 1 444 . 1 1 88 88 GLU CB C 13 32.786 . . 1 . 457 . . 88 GLU CB . 26735 1 445 . 1 1 88 88 GLU N N 15 121.434 0.007 . 1 . 455 . . 88 GLU N . 26735 1 446 . 1 1 89 89 VAL H H 1 8.383 0.01 . 1 . 377 . . 89 VAL H . 26735 1 447 . 1 1 89 89 VAL C C 13 176.836 0.008 . 1 . 601 . . 89 VAL C . 26735 1 448 . 1 1 89 89 VAL CA C 13 60.968 0.001 . 1 . 182 . . 89 VAL CA . 26735 1 449 . 1 1 89 89 VAL CB C 13 31.336 . . 1 . 185 . . 89 VAL CB . 26735 1 450 . 1 1 89 89 VAL CG2 C 13 20.781 . . 1 . 186 . . 89 VAL CG2 . 26735 1 451 . 1 1 89 89 VAL N N 15 123.011 0.008 . 1 . 378 . . 89 VAL N . 26735 1 452 . 1 1 90 90 ASP H H 1 8.794 0.004 . 1 . 180 . . 90 ASP H . 26735 1 453 . 1 1 90 90 ASP C C 13 178.478 0.017 . 1 . 602 . . 90 ASP C . 26735 1 454 . 1 1 90 90 ASP CA C 13 52.338 0.064 . 1 . 183 . . 90 ASP CA . 26735 1 455 . 1 1 90 90 ASP CB C 13 41.043 0.008 . 1 . 184 . . 90 ASP CB . 26735 1 456 . 1 1 90 90 ASP N N 15 129.496 0.061 . 1 . 181 . . 90 ASP N . 26735 1 457 . 1 1 91 91 SER H H 1 8.119 0.001 . 1 . 187 . . 91 SER H . 26735 1 458 . 1 1 91 91 SER C C 13 173.957 . . 1 . 603 . . 91 SER C . 26735 1 459 . 1 1 91 91 SER CA C 13 60.455 0.009 . 1 . 190 . . 91 SER CA . 26735 1 460 . 1 1 91 91 SER CB C 13 62.544 0.045 . 1 . 189 . . 91 SER CB . 26735 1 461 . 1 1 91 91 SER N N 15 113.211 0.019 . 1 . 188 . . 91 SER N . 26735 1 462 . 1 1 92 92 ALA H H 1 7.706 0.003 . 1 . 192 . . 92 ALA H . 26735 1 463 . 1 1 92 92 ALA C C 13 175.065 . . 1 . 604 . . 92 ALA C . 26735 1 464 . 1 1 92 92 ALA CA C 13 50.636 0.023 . 1 . 195 . . 92 ALA CA . 26735 1 465 . 1 1 92 92 ALA CB C 13 18.049 0.002 . 1 . 194 . . 92 ALA CB . 26735 1 466 . 1 1 92 92 ALA N N 15 125.719 0.012 . 1 . 193 . . 92 ALA N . 26735 1 467 . 1 1 93 93 GLN H H 1 7.755 0.002 . 1 . 196 . . 93 GLN H . 26735 1 468 . 1 1 93 93 GLN C C 13 173.415 0.021 . 1 . 605 . . 93 GLN C . 26735 1 469 . 1 1 93 93 GLN CA C 13 58.173 0.031 . 1 . 198 . . 93 GLN CA . 26735 1 470 . 1 1 93 93 GLN CB C 13 24.404 0.044 . 1 . 199 . . 93 GLN CB . 26735 1 471 . 1 1 93 93 GLN N N 15 110.571 0.012 . 1 . 197 . . 93 GLN N . 26735 1 472 . 1 1 94 94 HIS H H 1 7.952 0.003 . 1 . 362 . . 94 HIS H . 26735 1 473 . 1 1 94 94 HIS C C 13 173.504 0.008 . 1 . 606 . . 94 HIS C . 26735 1 474 . 1 1 94 94 HIS CA C 13 52.231 0.036 . 1 . 396 . . 94 HIS CA . 26735 1 475 . 1 1 94 94 HIS CB C 13 28.636 0.076 . 1 . 364 . . 94 HIS CB . 26735 1 476 . 1 1 94 94 HIS N N 15 114.963 0.003 . 1 . 363 . . 94 HIS N . 26735 1 477 . 1 1 95 95 LEU H H 1 9.603 0.003 . 1 . 365 . . 95 LEU H . 26735 1 478 . 1 1 95 95 LEU C C 13 174.770 0.015 . 1 . 607 . . 95 LEU C . 26735 1 479 . 1 1 95 95 LEU CA C 13 53.505 0.02 . 1 . 367 . . 95 LEU CA . 26735 1 480 . 1 1 95 95 LEU CB C 13 43.773 0.008 . 1 . 368 . . 95 LEU CB . 26735 1 481 . 1 1 95 95 LEU N N 15 122.562 0.026 . 1 . 366 . . 95 LEU N . 26735 1 482 . 1 1 96 96 VAL H H 1 8.652 0.003 . 1 . 479 . . 96 VAL H . 26735 1 483 . 1 1 96 96 VAL C C 13 175.166 0.031 . 1 . 608 . . 96 VAL C . 26735 1 484 . 1 1 96 96 VAL CA C 13 60.138 0.025 . 1 . 475 . . 96 VAL CA . 26735 1 485 . 1 1 96 96 VAL CB C 13 35.122 0.063 . 1 . 477 . . 96 VAL CB . 26735 1 486 . 1 1 96 96 VAL N N 15 124.174 0.147 . 1 . 287 . . 96 VAL N . 26735 1 487 . 1 1 97 97 VAL H H 1 8.478 0.002 . 1 . 473 . . 97 VAL H . 26735 1 488 . 1 1 97 97 VAL C C 13 172.862 0.01 . 1 . 609 . . 97 VAL C . 26735 1 489 . 1 1 97 97 VAL CA C 13 57.856 0.035 . 1 . 478 . . 97 VAL CA . 26735 1 490 . 1 1 97 97 VAL CB C 13 34.428 0.037 . 1 . 476 . . 97 VAL CB . 26735 1 491 . 1 1 97 97 VAL N N 15 126.800 0.048 . 1 . 474 . . 97 VAL N . 26735 1 492 . 1 1 98 98 ARG H H 1 7.870 0.002 . 1 . 610 . . 98 ARG H . 26735 1 493 . 1 1 98 98 ARG C C 13 176.195 0.029 . 1 . 612 . . 98 ARG C . 26735 1 494 . 1 1 98 98 ARG CA C 13 53.635 0.003 . 1 . 202 . . 98 ARG CA . 26735 1 495 . 1 1 98 98 ARG CB C 13 33.977 0.018 . 1 . 205 . . 98 ARG CB . 26735 1 496 . 1 1 98 98 ARG N N 15 122.714 0.0 . 1 . 611 . . 98 ARG N . 26735 1 497 . 1 1 99 99 ASP H H 1 8.109 0.004 . 1 . 200 . . 99 ASP H . 26735 1 498 . 1 1 99 99 ASP C C 13 179.027 0.022 . 1 . 613 . . 99 ASP C . 26735 1 499 . 1 1 99 99 ASP CA C 13 51.460 0.092 . 1 . 203 . . 99 ASP CA . 26735 1 500 . 1 1 99 99 ASP CB C 13 41.573 0.084 . 1 . 204 . . 99 ASP CB . 26735 1 501 . 1 1 99 99 ASP N N 15 120.949 0.018 . 1 . 201 . . 99 ASP N . 26735 1 502 . 1 1 100 100 VAL H H 1 7.969 0.004 . 1 . 206 . . 100 VAL H . 26735 1 503 . 1 1 100 100 VAL C C 13 176.728 0.022 . 1 . 614 . . 100 VAL C . 26735 1 504 . 1 1 100 100 VAL CA C 13 64.976 0.013 . 1 . 210 . . 100 VAL CA . 26735 1 505 . 1 1 100 100 VAL CB C 13 31.488 0.004 . 1 . 208 . . 100 VAL CB . 26735 1 506 . 1 1 100 100 VAL CG2 C 13 20.870 . . 1 . 215 . . 100 VAL CG2 . 26735 1 507 . 1 1 100 100 VAL N N 15 116.646 0.013 . 1 . 207 . . 100 VAL N . 26735 1 508 . 1 1 101 101 SER H H 1 7.791 0.005 . 1 . 211 . . 101 SER H . 26735 1 509 . 1 1 101 101 SER C C 13 173.383 0.07 . 1 . 615 . . 101 SER C . 26735 1 510 . 1 1 101 101 SER CA C 13 58.170 0.005 . 1 . 214 . . 101 SER CA . 26735 1 511 . 1 1 101 101 SER CB C 13 63.149 0.082 . 1 . 213 . . 101 SER CB . 26735 1 512 . 1 1 101 101 SER N N 15 117.971 0.003 . 1 . 212 . . 101 SER N . 26735 1 513 . 1 1 102 102 LEU H H 1 8.017 0.003 . 1 . 216 . . 102 LEU H . 26735 1 514 . 1 1 102 102 LEU C C 13 176.703 0.009 . 1 . 616 . . 102 LEU C . 26735 1 515 . 1 1 102 102 LEU CA C 13 56.428 0.015 . 1 . 218 . . 102 LEU CA . 26735 1 516 . 1 1 102 102 LEU CB C 13 37.354 0.011 . 1 . 219 . . 102 LEU CB . 26735 1 517 . 1 1 102 102 LEU N N 15 115.545 0.022 . 1 . 217 . . 102 LEU N . 26735 1 518 . 1 1 103 103 GLN H H 1 8.227 0.002 . 1 . 220 . . 103 GLN H . 26735 1 519 . 1 1 103 103 GLN C C 13 175.442 0.016 . 1 . 617 . . 103 GLN C . 26735 1 520 . 1 1 103 103 GLN CA C 13 56.016 0.023 . 1 . 222 . . 103 GLN CA . 26735 1 521 . 1 1 103 103 GLN CB C 13 28.311 0.073 . 1 . 223 . . 103 GLN CB . 26735 1 522 . 1 1 103 103 GLN CG C 13 34.381 . . 1 . 227 . . 103 GLN CG . 26735 1 523 . 1 1 103 103 GLN N N 15 123.848 0.017 . 1 . 221 . . 103 GLN N . 26735 1 524 . 1 1 104 104 GLY H H 1 8.283 0.002 . 1 . 224 . . 104 GLY H . 26735 1 525 . 1 1 104 104 GLY C C 13 173.505 0.0 . 1 . 618 . . 104 GLY C . 26735 1 526 . 1 1 104 104 GLY CA C 13 44.151 0.007 . 1 . 226 . . 104 GLY CA . 26735 1 527 . 1 1 104 104 GLY N N 15 109.870 0.081 . 1 . 225 . . 104 GLY N . 26735 1 528 . 1 1 105 105 SER H H 1 8.476 0.003 . 1 . 228 . . 105 SER H . 26735 1 529 . 1 1 105 105 SER C C 13 174.534 0.009 . 1 . 619 . . 105 SER C . 26735 1 530 . 1 1 105 105 SER CA C 13 56.282 0.021 . 1 . 230 . . 105 SER CA . 26735 1 531 . 1 1 105 105 SER CB C 13 65.312 0.015 . 1 . 231 . . 105 SER CB . 26735 1 532 . 1 1 105 105 SER N N 15 113.775 0.052 . 1 . 229 . . 105 SER N . 26735 1 533 . 1 1 106 106 THR H H 1 8.472 0.002 . 1 . 232 . . 106 THR H . 26735 1 534 . 1 1 106 106 THR C C 13 175.379 0.02 . 1 . 620 . . 106 THR C . 26735 1 535 . 1 1 106 106 THR CA C 13 62.896 0.015 . 1 . 235 . . 106 THR CA . 26735 1 536 . 1 1 106 106 THR CB C 13 69.585 0.011 . 1 . 234 . . 106 THR CB . 26735 1 537 . 1 1 106 106 THR CG2 C 13 22.909 . . 1 . 240 . . 106 THR CG2 . 26735 1 538 . 1 1 106 106 THR N N 15 122.434 0.026 . 1 . 233 . . 106 THR N . 26735 1 539 . 1 1 107 107 LEU H H 1 7.934 0.002 . 1 . 236 . . 107 LEU H . 26735 1 540 . 1 1 107 107 LEU C C 13 176.086 0.007 . 1 . 621 . . 107 LEU C . 26735 1 541 . 1 1 107 107 LEU CA C 13 53.404 0.014 . 1 . 238 . . 107 LEU CA . 26735 1 542 . 1 1 107 107 LEU CB C 13 43.560 0.062 . 1 . 239 . . 107 LEU CB . 26735 1 543 . 1 1 107 107 LEU N N 15 123.020 0.016 . 1 . 237 . . 107 LEU N . 26735 1 544 . 1 1 108 108 ALA H H 1 9.316 0.003 . 1 . 241 . . 108 ALA H . 26735 1 545 . 1 1 108 108 ALA C C 13 175.731 0.007 . 1 . 622 . . 108 ALA C . 26735 1 546 . 1 1 108 108 ALA CA C 13 50.396 0.043 . 1 . 243 . . 108 ALA CA . 26735 1 547 . 1 1 108 108 ALA CB C 13 23.267 0.041 . 1 . 244 . . 108 ALA CB . 26735 1 548 . 1 1 108 108 ALA N N 15 125.982 0.015 . 1 . 242 . . 108 ALA N . 26735 1 549 . 1 1 109 109 LEU H H 1 8.617 0.003 . 1 . 245 . . 109 LEU H . 26735 1 550 . 1 1 109 109 LEU C C 13 174.744 . . 1 . 623 . . 109 LEU C . 26735 1 551 . 1 1 109 109 LEU CA C 13 52.438 . . 1 . 247 . . 109 LEU CA . 26735 1 552 . 1 1 109 109 LEU CB C 13 41.828 . . 1 . 248 . . 109 LEU CB . 26735 1 553 . 1 1 109 109 LEU N N 15 122.533 0.005 . 1 . 246 . . 109 LEU N . 26735 1 554 . 1 1 110 110 PRO C C 13 177.100 . . 1 . 624 . . 110 PRO C . 26735 1 555 . 1 1 110 110 PRO CA C 13 62.966 . . 1 . 253 . . 110 PRO CA . 26735 1 556 . 1 1 110 110 PRO CB C 13 31.831 . . 1 . 254 . . 110 PRO CB . 26735 1 557 . 1 1 110 110 PRO CG C 13 27.611 . . 1 . 255 . . 110 PRO CG . 26735 1 558 . 1 1 111 111 GLY H H 1 8.237 0.002 . 1 . 250 . . 111 GLY H . 26735 1 559 . 1 1 111 111 GLY C C 13 173.915 0.018 . 1 . 626 . . 111 GLY C . 26735 1 560 . 1 1 111 111 GLY CA C 13 44.904 0.013 . 1 . 252 . . 111 GLY CA . 26735 1 561 . 1 1 111 111 GLY N N 15 110.022 0.098 . 1 . 251 . . 111 GLY N . 26735 1 562 . 1 1 112 112 SER H H 1 8.076 0.003 . 1 . 256 . . 112 SER H . 26735 1 563 . 1 1 112 112 SER C C 13 174.500 0.009 . 1 . 627 . . 112 SER C . 26735 1 564 . 1 1 112 112 SER CA C 13 58.063 . . 1 . 258 . . 112 SER CA . 26735 1 565 . 1 1 112 112 SER CB C 13 63.699 0.009 . 1 . 259 . . 112 SER CB . 26735 1 566 . 1 1 112 112 SER N N 15 115.736 0.084 . 1 . 257 . . 112 SER N . 26735 1 567 . 1 1 113 113 SER H H 1 8.216 0.0 . 1 . 292 . . 113 SER H . 26735 1 568 . 1 1 113 113 SER C C 13 173.724 0.019 . 1 . 628 . . 113 SER C . 26735 1 569 . 1 1 113 113 SER CA C 13 58.079 0.001 . 1 . 264 . . 113 SER CA . 26735 1 570 . 1 1 113 113 SER CB C 13 63.633 . . 1 . 265 . . 113 SER CB . 26735 1 571 . 1 1 113 113 SER N N 15 118.168 0.01 . 1 . 293 . . 113 SER N . 26735 1 572 . 1 1 114 114 ALA H H 1 8.117 0.002 . 1 . 260 . . 114 ALA H . 26735 1 573 . 1 1 114 114 ALA C C 13 176.536 0.025 . 1 . 629 . . 114 ALA C . 26735 1 574 . 1 1 114 114 ALA CA C 13 52.282 0.011 . 1 . 266 . . 114 ALA CA . 26735 1 575 . 1 1 114 114 ALA CB C 13 19.165 0.034 . 1 . 267 . . 114 ALA CB . 26735 1 576 . 1 1 114 114 ALA N N 15 126.648 0.007 . 1 . 261 . . 114 ALA N . 26735 1 577 . 1 1 115 115 GLU H H 1 7.771 0.004 . 1 . 268 . . 115 GLU H . 26735 1 578 . 1 1 115 115 GLU C C 13 180.065 . . 1 . 630 . . 115 GLU C . 26735 1 579 . 1 1 115 115 GLU CA C 13 56.759 . . 1 . 270 . . 115 GLU CA . 26735 1 580 . 1 1 115 115 GLU CB C 13 29.802 . . 1 . 271 . . 115 GLU CB . 26735 1 581 . 1 1 115 115 GLU N N 15 124.312 0.018 . 1 . 269 . . 115 GLU N . 26735 1 stop_ save_