data_25327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25327 _Entry.Title ; Bd0108 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-11 _Entry.Accession_date 2014-11-11 _Entry.Last_release_date 2014-12-17 _Entry.Original_release_date 2014-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Bd0108 from Bdellovibrio bacteriovorus' _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.Entry_ID 1 Gerd Prehna . . . 25327 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Illinois at Chicago' . 25327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 271 25327 '1H chemical shifts' 288 25327 '15N chemical shifts' 69 25327 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 1 . . 2014-12-17 2014-11-11 original author . 25327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25514156 _Citation.Full_citation . _Citation.Title 'The Lifestyle Switch Protein Bd0108 of Bdellovibrio bacteriovorus Is an Intrinsically Disordered Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 12 _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 e115390 _Citation.Page_last e115390 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Gerd Prehna . . . 25327 1 2 Benjamin Ramirez . E. . 25327 1 3 Andrew Lovering . L. . 25327 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Bd0108 25327 1 'Bdellovibrio bacteriovorus' 25327 1 'intrinsically disordered protein' 25327 1 'type IV pilus' 25327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25327 _Assembly.ID 1 _Assembly.Name Bd0108 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass . _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 Bd0108 1 $entity A . yes native no no . . . 25327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Bd0108 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMADENANRPVNPGEDPN EAFRSTPFEATTSALGDCRE CIAYRTGATTGKGSRRHDDT VSREIKGSSATPGGSEKAGT GRQ ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 19 GLY . 25327 1 2 20 SER . 25327 1 3 21 HIS . 25327 1 4 22 MET . 25327 1 5 23 ALA . 25327 1 6 24 ASP . 25327 1 7 25 GLU . 25327 1 8 26 ASN . 25327 1 9 27 ALA . 25327 1 10 28 ASN . 25327 1 11 29 ARG . 25327 1 12 30 PRO . 25327 1 13 31 VAL . 25327 1 14 32 ASN . 25327 1 15 33 PRO . 25327 1 16 34 GLY . 25327 1 17 35 GLU . 25327 1 18 36 ASP . 25327 1 19 37 PRO . 25327 1 20 38 ASN . 25327 1 21 39 GLU . 25327 1 22 40 ALA . 25327 1 23 41 PHE . 25327 1 24 42 ARG . 25327 1 25 43 SER . 25327 1 26 44 THR . 25327 1 27 45 PRO . 25327 1 28 46 PHE . 25327 1 29 47 GLU . 25327 1 30 48 ALA . 25327 1 31 49 THR . 25327 1 32 50 THR . 25327 1 33 51 SER . 25327 1 34 52 ALA . 25327 1 35 53 LEU . 25327 1 36 54 GLY . 25327 1 37 55 ASP . 25327 1 38 56 CYS . 25327 1 39 57 ARG . 25327 1 40 58 GLU . 25327 1 41 59 CYS . 25327 1 42 60 ILE . 25327 1 43 61 ALA . 25327 1 44 62 TYR . 25327 1 45 63 ARG . 25327 1 46 64 THR . 25327 1 47 65 GLY . 25327 1 48 66 ALA . 25327 1 49 67 THR . 25327 1 50 68 THR . 25327 1 51 69 GLY . 25327 1 52 70 LYS . 25327 1 53 71 GLY . 25327 1 54 72 SER . 25327 1 55 73 ARG . 25327 1 56 74 ARG . 25327 1 57 75 HIS . 25327 1 58 76 ASP . 25327 1 59 77 ASP . 25327 1 60 78 THR . 25327 1 61 79 VAL . 25327 1 62 80 SER . 25327 1 63 81 ARG . 25327 1 64 82 GLU . 25327 1 65 83 ILE . 25327 1 66 84 LYS . 25327 1 67 85 GLY . 25327 1 68 86 SER . 25327 1 69 87 SER . 25327 1 70 88 ALA . 25327 1 71 89 THR . 25327 1 72 90 PRO . 25327 1 73 91 GLY . 25327 1 74 92 GLY . 25327 1 75 93 SER . 25327 1 76 94 GLU . 25327 1 77 95 LYS . 25327 1 78 96 ALA . 25327 1 79 97 GLY . 25327 1 80 98 THR . 25327 1 81 99 GLY . 25327 1 82 100 ARG . 25327 1 83 101 GLN . 25327 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 25327 1 . SER 2 2 25327 1 . HIS 3 3 25327 1 . MET 4 4 25327 1 . ALA 5 5 25327 1 . ASP 6 6 25327 1 . GLU 7 7 25327 1 . ASN 8 8 25327 1 . ALA 9 9 25327 1 . ASN 10 10 25327 1 . ARG 11 11 25327 1 . PRO 12 12 25327 1 . VAL 13 13 25327 1 . ASN 14 14 25327 1 . PRO 15 15 25327 1 . GLY 16 16 25327 1 . GLU 17 17 25327 1 . ASP 18 18 25327 1 . PRO 19 19 25327 1 . ASN 20 20 25327 1 . GLU 21 21 25327 1 . ALA 22 22 25327 1 . PHE 23 23 25327 1 . ARG 24 24 25327 1 . SER 25 25 25327 1 . THR 26 26 25327 1 . PRO 27 27 25327 1 . PHE 28 28 25327 1 . GLU 29 29 25327 1 . ALA 30 30 25327 1 . THR 31 31 25327 1 . THR 32 32 25327 1 . SER 33 33 25327 1 . ALA 34 34 25327 1 . LEU 35 35 25327 1 . GLY 36 36 25327 1 . ASP 37 37 25327 1 . CYS 38 38 25327 1 . ARG 39 39 25327 1 . GLU 40 40 25327 1 . CYS 41 41 25327 1 . ILE 42 42 25327 1 . ALA 43 43 25327 1 . TYR 44 44 25327 1 . ARG 45 45 25327 1 . THR 46 46 25327 1 . GLY 47 47 25327 1 . ALA 48 48 25327 1 . THR 49 49 25327 1 . THR 50 50 25327 1 . GLY 51 51 25327 1 . LYS 52 52 25327 1 . GLY 53 53 25327 1 . SER 54 54 25327 1 . ARG 55 55 25327 1 . ARG 56 56 25327 1 . HIS 57 57 25327 1 . ASP 58 58 25327 1 . ASP 59 59 25327 1 . THR 60 60 25327 1 . VAL 61 61 25327 1 . SER 62 62 25327 1 . ARG 63 63 25327 1 . GLU 64 64 25327 1 . ILE 65 65 25327 1 . LYS 66 66 25327 1 . GLY 67 67 25327 1 . SER 68 68 25327 1 . SER 69 69 25327 1 . ALA 70 70 25327 1 . THR 71 71 25327 1 . PRO 72 72 25327 1 . GLY 73 73 25327 1 . GLY 74 74 25327 1 . SER 75 75 25327 1 . GLU 76 76 25327 1 . LYS 77 77 25327 1 . ALA 78 78 25327 1 . GLY 79 79 25327 1 . THR 80 80 25327 1 . GLY 81 81 25327 1 . ARG 82 82 25327 1 . GLN 83 83 25327 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 25327 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 959 organism . 'Bdellovibrio bacteriovorus' d-proteobacteria . . Bacteria . Bdellovibrio bacteriovorus HD100 . . . . . . . . . . . . . . . . . . . . 25327 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 25327 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET26b . . . . . . 25327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25327 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris pH 7.0 100 mM NaCl 2 mM -ME' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Bd0108 '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 25327 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25327 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25327 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 25327 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25327 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25327 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25327 _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 temperature 298 . K 25327 1 pH 7.0 . pH 25327 1 pressure 1 . atm 25327 1 'ionic strength' 0.1 . M 25327 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25327 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25327 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25327 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25327 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25327 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25327 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25327 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25327 3 'chemical shift assignment' 25327 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25327 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25327 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25327 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25327 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25327 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25327 5 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 25327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25327 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25327 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25327 _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 DRX . 600 . . . 25327 1 2 spectrometer_2 Bruker Avance . 800 . . . 25327 1 3 spectrometer_3 Bruker Avance . 900 . . . 25327 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 25327 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25327 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 25327 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25327 1 C 13 acetate 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 25327 1 N 15 urea nitrogen . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 25327 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 . _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 '2D 1H-15N HSQC' . . . 25327 1 2 '3D HNCACB' . . . 25327 1 3 '3D CBCA(CO)NH' . . . 25327 1 4 '3D HNCO' . . . 25327 1 5 '3D HCACO' . . . 25327 1 6 '3D HNHA' . . . 25327 1 7 '3D H(CCO)NH' . . . 25327 1 8 '3D HCCH-TOCSY' . . . 25327 1 9 '3D 1H-15N NOESY' . . . 25327 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 2 2 SER C C 13 174.805 0.015 . 1 . . . . 20 SER C . 25327 1 2 . 1 1 2 2 SER CA C 13 58.535 0.008 . 1 . . . . 20 SER CA . 25327 1 3 . 1 1 2 2 SER CB C 13 63.798 0 . 1 . . . . 20 SER CB . 25327 1 4 . 1 1 3 3 HIS H H 1 8.609 0.005 . 1 . . . . 21 HIS H . 25327 1 5 . 1 1 3 3 HIS HA H 1 4.273 0 . 1 . . . . 21 HIS HA . 25327 1 6 . 1 1 3 3 HIS C C 13 176.618 0.037 . 1 . . . . 21 HIS C . 25327 1 7 . 1 1 3 3 HIS CA C 13 56.953 0.044 . 1 . . . . 21 HIS CA . 25327 1 8 . 1 1 3 3 HIS CB C 13 29.805 0 . 1 . . . . 21 HIS CB . 25327 1 9 . 1 1 3 3 HIS N N 15 123.045 0.028 . 1 . . . . 21 HIS N . 25327 1 10 . 1 1 4 4 MET H H 1 8.299 0.005 . 1 . . . . 22 MET H . 25327 1 11 . 1 1 4 4 MET HA H 1 4.288 0 . 1 . . . . 22 MET HA . 25327 1 12 . 1 1 4 4 MET C C 13 176.438 0.017 . 1 . . . . 22 MET C . 25327 1 13 . 1 1 4 4 MET CA C 13 56.467 0 . 1 . . . . 22 MET CA . 25327 1 14 . 1 1 4 4 MET CB C 13 32.892 0 . 1 . . . . 22 MET CB . 25327 1 15 . 1 1 4 4 MET N N 15 122.106 0.027 . 1 . . . . 22 MET N . 25327 1 16 . 1 1 5 5 ALA C C 13 177.409 0.019 . 1 . . . . 23 ALA C . 25327 1 17 . 1 1 5 5 ALA CA C 13 52.74 0.073 . 1 . . . . 23 ALA CA . 25327 1 18 . 1 1 5 5 ALA CB C 13 19.237 0 . 1 . . . . 23 ALA CB . 25327 1 19 . 1 1 6 6 ASP H H 1 8.258 0.018 . 1 . . . . 24 ASP H . 25327 1 20 . 1 1 6 6 ASP HA H 1 4.562 0 . 1 . . . . 24 ASP HA . 25327 1 21 . 1 1 6 6 ASP HB2 H 1 2.676 0 . 2 . . . . 24 ASP HB2 . 25327 1 22 . 1 1 6 6 ASP HB3 H 1 2.676 0 . 2 . . . . 24 ASP HB3 . 25327 1 23 . 1 1 6 6 ASP C C 13 176.827 0.003 . 1 . . . . 24 ASP C . 25327 1 24 . 1 1 6 6 ASP CA C 13 54.385 0.086 . 1 . . . . 24 ASP CA . 25327 1 25 . 1 1 6 6 ASP CB C 13 41.175 0.009 . 1 . . . . 24 ASP CB . 25327 1 26 . 1 1 6 6 ASP N N 15 119.658 0.092 . 1 . . . . 24 ASP N . 25327 1 27 . 1 1 7 7 GLU H H 1 8.542 0.005 . 1 . . . . 25 GLU H . 25327 1 28 . 1 1 7 7 GLU HA H 1 4.203 0 . 1 . . . . 25 GLU HA . 25327 1 29 . 1 1 7 7 GLU HB2 H 1 2.096 0 . 2 . . . . 25 GLU HB2 . 25327 1 30 . 1 1 7 7 GLU HB3 H 1 2.096 0 . 2 . . . . 25 GLU HB3 . 25327 1 31 . 1 1 7 7 GLU C C 13 176.785 0.024 . 1 . . . . 25 GLU C . 25327 1 32 . 1 1 7 7 GLU CA C 13 57.456 0.016 . 1 . . . . 25 GLU CA . 25327 1 33 . 1 1 7 7 GLU CB C 13 29.769 0.009 . 1 . . . . 25 GLU CB . 25327 1 34 . 1 1 7 7 GLU CG C 13 36.176 0 . 1 . . . . 25 GLU CG . 25327 1 35 . 1 1 7 7 GLU N N 15 122.279 0.028 . 1 . . . . 25 GLU N . 25327 1 36 . 1 1 8 8 ASN H H 1 8.447 0.004 . 1 . . . . 26 ASN H . 25327 1 37 . 1 1 8 8 ASN HA H 1 4.659 0.009 . 1 . . . . 26 ASN HA . 25327 1 38 . 1 1 8 8 ASN HB2 H 1 2.786 0 . 2 . . . . 26 ASN HB2 . 25327 1 39 . 1 1 8 8 ASN HB3 H 1 2.786 0 . 2 . . . . 26 ASN HB3 . 25327 1 40 . 1 1 8 8 ASN HD21 H 1 7.7 0.001 . 2 . . . . 26 ASN HD21 . 25327 1 41 . 1 1 8 8 ASN HD22 H 1 6.949 0.008 . 2 . . . . 26 ASN HD22 . 25327 1 42 . 1 1 8 8 ASN C C 13 175.295 0.019 . 1 . . . . 26 ASN C . 25327 1 43 . 1 1 8 8 ASN CA C 13 53.605 0.005 . 1 . . . . 26 ASN CA . 25327 1 44 . 1 1 8 8 ASN CB C 13 38.852 0 . 1 . . . . 26 ASN CB . 25327 1 45 . 1 1 8 8 ASN N N 15 118.623 0.076 . 1 . . . . 26 ASN N . 25327 1 46 . 1 1 8 8 ASN ND2 N 15 113.692 0.044 . 1 . . . . 26 ASN ND2 . 25327 1 47 . 1 1 9 9 ALA H H 1 8.023 0.014 . 1 . . . . 27 ALA H . 25327 1 48 . 1 1 9 9 ALA HA H 1 4.183 0 . 1 . . . . 27 ALA HA . 25327 1 49 . 1 1 9 9 ALA HB1 H 1 1.395 0 . 2 . . . . 27 ALA HB . 25327 1 50 . 1 1 9 9 ALA HB2 H 1 1.395 0 . 2 . . . . 27 ALA HB . 25327 1 51 . 1 1 9 9 ALA HB3 H 1 1.395 0 . 2 . . . . 27 ALA HB . 25327 1 52 . 1 1 9 9 ALA C C 13 177.501 0.012 . 1 . . . . 27 ALA C . 25327 1 53 . 1 1 9 9 ALA CA C 13 53.111 0.047 . 1 . . . . 27 ALA CA . 25327 1 54 . 1 1 9 9 ALA CB C 13 19.13 0.007 . 1 . . . . 27 ALA CB . 25327 1 55 . 1 1 9 9 ALA N N 15 123.569 0.043 . 1 . . . . 27 ALA N . 25327 1 56 . 1 1 10 10 ASN H H 1 8.294 0.008 . 1 . . . . 28 ASN H . 25327 1 57 . 1 1 10 10 ASN HA H 1 4.686 0 . 1 . . . . 28 ASN HA . 25327 1 58 . 1 1 10 10 ASN HB2 H 1 2.758 0 . 2 . . . . 28 ASN HB2 . 25327 1 59 . 1 1 10 10 ASN HB3 H 1 2.758 0 . 2 . . . . 28 ASN HB3 . 25327 1 60 . 1 1 10 10 ASN HD21 H 1 7.598 0.002 . 2 . . . . 28 ASN HD21 . 25327 1 61 . 1 1 10 10 ASN HD22 H 1 6.909 0.007 . 2 . . . . 28 ASN HD22 . 25327 1 62 . 1 1 10 10 ASN C C 13 174.719 0.05 . 1 . . . . 28 ASN C . 25327 1 63 . 1 1 10 10 ASN CA C 13 53.078 0.013 . 1 . . . . 28 ASN CA . 25327 1 64 . 1 1 10 10 ASN CB C 13 38.698 0.008 . 1 . . . . 28 ASN CB . 25327 1 65 . 1 1 10 10 ASN N N 15 116.933 0.048 . 1 . . . . 28 ASN N . 25327 1 66 . 1 1 10 10 ASN ND2 N 15 113.151 0.059 . 1 . . . . 28 ASN ND2 . 25327 1 67 . 1 1 11 11 ARG H H 1 8.015 0.012 . 1 . . . . 29 ARG H . 25327 1 68 . 1 1 11 11 ARG HA H 1 4.603 0.001 . 1 . . . . 29 ARG HA . 25327 1 69 . 1 1 11 11 ARG HB3 H 1 1.722 0 . 2 . . . . 29 ARG HB3 . 25327 1 70 . 1 1 11 11 ARG HD2 H 1 3.201 0 . 2 . . . . 29 ARG HD2 . 25327 1 71 . 1 1 11 11 ARG HD3 H 1 3.201 0 . 2 . . . . 29 ARG HD3 . 25327 1 72 . 1 1 11 11 ARG C C 13 173.926 0 . 1 . . . . 29 ARG C . 25327 1 73 . 1 1 11 11 ARG CA C 13 54.037 0.011 . 1 . . . . 29 ARG CA . 25327 1 74 . 1 1 11 11 ARG CB C 13 30.151 0 . 1 . . . . 29 ARG CB . 25327 1 75 . 1 1 11 11 ARG N N 15 122.168 0.032 . 1 . . . . 29 ARG N . 25327 1 76 . 1 1 12 12 PRO HA H 1 4.45 0 . 1 . . . . 30 PRO HA . 25327 1 77 . 1 1 12 12 PRO C C 13 176.718 0.015 . 1 . . . . 30 PRO C . 25327 1 78 . 1 1 12 12 PRO CA C 13 63.045 0.121 . 1 . . . . 30 PRO CA . 25327 1 79 . 1 1 12 12 PRO CB C 13 32.207 0 . 1 . . . . 30 PRO CB . 25327 1 80 . 1 1 12 12 PRO CG C 13 27.385 0 . 1 . . . . 30 PRO CG . 25327 1 81 . 1 1 12 12 PRO CD C 13 50.692 0 . 1 . . . . 30 PRO CD . 25327 1 82 . 1 1 13 13 VAL H H 1 8.26 0.008 . 1 . . . . 31 VAL H . 25327 1 83 . 1 1 13 13 VAL HA H 1 4.042 0 . 1 . . . . 31 VAL HA . 25327 1 84 . 1 1 13 13 VAL HB H 1 2.021 0 . 1 . . . . 31 VAL HB . 25327 1 85 . 1 1 13 13 VAL HG11 H 1 0.934 0 . 2 . . . . 31 VAL HG1 . 25327 1 86 . 1 1 13 13 VAL HG12 H 1 0.934 0 . 2 . . . . 31 VAL HG1 . 25327 1 87 . 1 1 13 13 VAL HG13 H 1 0.934 0 . 2 . . . . 31 VAL HG1 . 25327 1 88 . 1 1 13 13 VAL HG21 H 1 0.934 0 . 2 . . . . 31 VAL HG2 . 25327 1 89 . 1 1 13 13 VAL HG22 H 1 0.934 0 . 2 . . . . 31 VAL HG2 . 25327 1 90 . 1 1 13 13 VAL HG23 H 1 0.934 0 . 2 . . . . 31 VAL HG2 . 25327 1 91 . 1 1 13 13 VAL C C 13 175.777 0.027 . 1 . . . . 31 VAL C . 25327 1 92 . 1 1 13 13 VAL CA C 13 62.28 0.11 . 1 . . . . 31 VAL CA . 25327 1 93 . 1 1 13 13 VAL CB C 13 32.694 0.141 . 1 . . . . 31 VAL CB . 25327 1 94 . 1 1 13 13 VAL CG1 C 13 21.021 0 . 2 . . . . 31 VAL CG1 . 25327 1 95 . 1 1 13 13 VAL CG2 C 13 21.021 0 . 2 . . . . 31 VAL CG2 . 25327 1 96 . 1 1 13 13 VAL N N 15 120.634 0.041 . 1 . . . . 31 VAL N . 25327 1 97 . 1 1 14 14 ASN H H 1 8.578 0.004 . 1 . . . . 32 ASN H . 25327 1 98 . 1 1 14 14 ASN HA H 1 5.001 0 . 1 . . . . 32 ASN HA . 25327 1 99 . 1 1 14 14 ASN HB2 H 1 2.719 0 . 2 . . . . 32 ASN HB2 . 25327 1 100 . 1 1 14 14 ASN HB3 H 1 2.719 0 . 2 . . . . 32 ASN HB3 . 25327 1 101 . 1 1 14 14 ASN HD21 H 1 7.703 0.002 . 2 . . . . 32 ASN HD21 . 25327 1 102 . 1 1 14 14 ASN HD22 H 1 6.949 0.01 . 2 . . . . 32 ASN HD22 . 25327 1 103 . 1 1 14 14 ASN C C 13 173.352 0 . 1 . . . . 32 ASN C . 25327 1 104 . 1 1 14 14 ASN CA C 13 51.055 0.054 . 1 . . . . 32 ASN CA . 25327 1 105 . 1 1 14 14 ASN CB C 13 38.703 0 . 1 . . . . 32 ASN CB . 25327 1 106 . 1 1 14 14 ASN N N 15 123.597 0.026 . 1 . . . . 32 ASN N . 25327 1 107 . 1 1 14 14 ASN ND2 N 15 113.693 0.065 . 1 . . . . 32 ASN ND2 . 25327 1 108 . 1 1 15 15 PRO HA H 1 4.351 0 . 1 . . . . 33 PRO HA . 25327 1 109 . 1 1 15 15 PRO HB3 H 1 2.012 0 . 2 . . . . 33 PRO HB3 . 25327 1 110 . 1 1 15 15 PRO C C 13 177.387 0.019 . 1 . . . . 33 PRO C . 25327 1 111 . 1 1 15 15 PRO CA C 13 63.821 0.089 . 1 . . . . 33 PRO CA . 25327 1 112 . 1 1 15 15 PRO CB C 13 32.062 0.109 . 1 . . . . 33 PRO CB . 25327 1 113 . 1 1 15 15 PRO CG C 13 27.359 0 . 1 . . . . 33 PRO CG . 25327 1 114 . 1 1 15 15 PRO CD C 13 50.86 0 . 1 . . . . 33 PRO CD . 25327 1 115 . 1 1 16 16 GLY H H 1 8.466 0.004 . 1 . . . . 34 GLY H . 25327 1 116 . 1 1 16 16 GLY HA2 H 1 3.913 0.016 . 2 . . . . 34 GLY HA2 . 25327 1 117 . 1 1 16 16 GLY C C 13 174.022 0.025 . 1 . . . . 34 GLY C . 25327 1 118 . 1 1 16 16 GLY CA C 13 45.234 0.025 . 1 . . . . 34 GLY CA . 25327 1 119 . 1 1 16 16 GLY N N 15 109.288 0.037 . 1 . . . . 34 GLY N . 25327 1 120 . 1 1 17 17 GLU H H 1 7.971 0.006 . 1 . . . . 35 GLU H . 25327 1 121 . 1 1 17 17 GLU HA H 1 4.293 0.001 . 1 . . . . 35 GLU HA . 25327 1 122 . 1 1 17 17 GLU HB2 H 1 2.15 0 . 2 . . . . 35 GLU HB2 . 25327 1 123 . 1 1 17 17 GLU HB3 H 1 1.938 0 . 2 . . . . 35 GLU HB3 . 25327 1 124 . 1 1 17 17 GLU C C 13 175.877 0.017 . 1 . . . . 35 GLU C . 25327 1 125 . 1 1 17 17 GLU CA C 13 56.12 0.057 . 1 . . . . 35 GLU CA . 25327 1 126 . 1 1 17 17 GLU CB C 13 30.767 0.011 . 1 . . . . 35 GLU CB . 25327 1 127 . 1 1 17 17 GLU CG C 13 36.359 0 . 1 . . . . 35 GLU CG . 25327 1 128 . 1 1 17 17 GLU N N 15 120.129 0.038 . 1 . . . . 35 GLU N . 25327 1 129 . 1 1 18 18 ASP H H 1 8.479 0.006 . 1 . . . . 36 ASP H . 25327 1 130 . 1 1 18 18 ASP HA H 1 4.875 0 . 1 . . . . 36 ASP HA . 25327 1 131 . 1 1 18 18 ASP HB2 H 1 2.806 0 . 2 . . . . 36 ASP HB2 . 25327 1 132 . 1 1 18 18 ASP HB3 H 1 2.588 0 . 2 . . . . 36 ASP HB3 . 25327 1 133 . 1 1 18 18 ASP C C 13 175.526 0 . 1 . . . . 36 ASP C . 25327 1 134 . 1 1 18 18 ASP CA C 13 51.844 0.011 . 1 . . . . 36 ASP CA . 25327 1 135 . 1 1 18 18 ASP CB C 13 41.606 0 . 1 . . . . 36 ASP CB . 25327 1 136 . 1 1 18 18 ASP N N 15 123.364 0.057 . 1 . . . . 36 ASP N . 25327 1 137 . 1 1 19 19 PRO HA H 1 4.401 0 . 1 . . . . 37 PRO HA . 25327 1 138 . 1 1 19 19 PRO HB3 H 1 1.979 0 . 2 . . . . 37 PRO HB3 . 25327 1 139 . 1 1 19 19 PRO HD2 H 1 3.873 0 . 2 . . . . 37 PRO HD2 . 25327 1 140 . 1 1 19 19 PRO C C 13 177.288 0 . 1 . . . . 37 PRO C . 25327 1 141 . 1 1 19 19 PRO CA C 13 63.945 0.068 . 1 . . . . 37 PRO CA . 25327 1 142 . 1 1 19 19 PRO CB C 13 32.276 0.086 . 1 . . . . 37 PRO CB . 25327 1 143 . 1 1 19 19 PRO CG C 13 27.259 0 . 1 . . . . 37 PRO CG . 25327 1 144 . 1 1 19 19 PRO CD C 13 51.106 0 . 1 . . . . 37 PRO CD . 25327 1 145 . 1 1 20 20 ASN H H 1 8.557 0.005 . 1 . . . . 38 ASN H . 25327 1 146 . 1 1 20 20 ASN HA H 1 4.665 0.009 . 1 . . . . 38 ASN HA . 25327 1 147 . 1 1 20 20 ASN HB2 H 1 2.796 0 . 2 . . . . 38 ASN HB2 . 25327 1 148 . 1 1 20 20 ASN HB3 H 1 2.796 0 . 2 . . . . 38 ASN HB3 . 25327 1 149 . 1 1 20 20 ASN HD21 H 1 7.838 0.004 . 2 . . . . 38 ASN HD21 . 25327 1 150 . 1 1 20 20 ASN HD22 H 1 6.959 0.008 . 2 . . . . 38 ASN HD22 . 25327 1 151 . 1 1 20 20 ASN C C 13 175.77 0.039 . 1 . . . . 38 ASN C . 25327 1 152 . 1 1 20 20 ASN CA C 13 53.807 0.068 . 1 . . . . 38 ASN CA . 25327 1 153 . 1 1 20 20 ASN CB C 13 38.79 0.026 . 1 . . . . 38 ASN CB . 25327 1 154 . 1 1 20 20 ASN N N 15 117.348 0.04 . 1 . . . . 38 ASN N . 25327 1 155 . 1 1 20 20 ASN ND2 N 15 114.23 0.078 . 1 . . . . 38 ASN ND2 . 25327 1 156 . 1 1 21 21 GLU H H 1 8.002 0.008 . 1 . . . . 39 GLU H . 25327 1 157 . 1 1 21 21 GLU HA H 1 4.141 0.007 . 1 . . . . 39 GLU HA . 25327 1 158 . 1 1 21 21 GLU HB2 H 1 2.238 0 . 2 . . . . 39 GLU HB2 . 25327 1 159 . 1 1 21 21 GLU HB3 H 1 2.042 0.047 . 2 . . . . 39 GLU HB3 . 25327 1 160 . 1 1 21 21 GLU C C 13 176.609 0.043 . 1 . . . . 39 GLU C . 25327 1 161 . 1 1 21 21 GLU CA C 13 57.215 0.039 . 1 . . . . 39 GLU CA . 25327 1 162 . 1 1 21 21 GLU CB C 13 29.969 0 . 1 . . . . 39 GLU CB . 25327 1 163 . 1 1 21 21 GLU CG C 13 36.096 0 . 1 . . . . 39 GLU CG . 25327 1 164 . 1 1 21 21 GLU N N 15 121.037 0.032 . 1 . . . . 39 GLU N . 25327 1 165 . 1 1 22 22 ALA H H 1 8.097 0.005 . 1 . . . . 40 ALA H . 25327 1 166 . 1 1 22 22 ALA HA H 1 4.161 0 . 1 . . . . 40 ALA HA . 25327 1 167 . 1 1 22 22 ALA HB1 H 1 1.238 0 . 2 . . . . 40 ALA HB . 25327 1 168 . 1 1 22 22 ALA HB2 H 1 1.238 0 . 2 . . . . 40 ALA HB . 25327 1 169 . 1 1 22 22 ALA HB3 H 1 1.238 0 . 2 . . . . 40 ALA HB . 25327 1 170 . 1 1 22 22 ALA C C 13 177.809 0.012 . 1 . . . . 40 ALA C . 25327 1 171 . 1 1 22 22 ALA CA C 13 53.114 0.011 . 1 . . . . 40 ALA CA . 25327 1 172 . 1 1 22 22 ALA CB C 13 18.819 0.055 . 1 . . . . 40 ALA CB . 25327 1 173 . 1 1 22 22 ALA N N 15 123.481 0.02 . 1 . . . . 40 ALA N . 25327 1 174 . 1 1 23 23 PHE H H 1 7.974 0.005 . 1 . . . . 41 PHE H . 25327 1 175 . 1 1 23 23 PHE HA H 1 4.585 0.004 . 1 . . . . 41 PHE HA . 25327 1 176 . 1 1 23 23 PHE HB2 H 1 3.085 0 . 2 . . . . 41 PHE HB2 . 25327 1 177 . 1 1 23 23 PHE HB3 H 1 3.085 0 . 2 . . . . 41 PHE HB3 . 25327 1 178 . 1 1 23 23 PHE HD2 H 1 7.238 0 . 2 . . . . 41 PHE HD2 . 25327 1 179 . 1 1 23 23 PHE C C 13 175.697 0.034 . 1 . . . . 41 PHE C . 25327 1 180 . 1 1 23 23 PHE CA C 13 57.752 0.043 . 1 . . . . 41 PHE CA . 25327 1 181 . 1 1 23 23 PHE CB C 13 39.062 0.02 . 1 . . . . 41 PHE CB . 25327 1 182 . 1 1 23 23 PHE N N 15 118.013 0.025 . 1 . . . . 41 PHE N . 25327 1 183 . 1 1 24 24 ARG H H 1 7.909 0.006 . 1 . . . . 42 ARG H . 25327 1 184 . 1 1 24 24 ARG HA H 1 4.32 0 . 1 . . . . 42 ARG HA . 25327 1 185 . 1 1 24 24 ARG HG2 H 1 1.693 0 . 2 . . . . 42 ARG HG2 . 25327 1 186 . 1 1 24 24 ARG HG3 H 1 1.693 0 . 2 . . . . 42 ARG HG3 . 25327 1 187 . 1 1 24 24 ARG HD2 H 1 3.155 0 . 2 . . . . 42 ARG HD2 . 25327 1 188 . 1 1 24 24 ARG HD3 H 1 3.155 0 . 2 . . . . 42 ARG HD3 . 25327 1 189 . 1 1 24 24 ARG C C 13 175.894 0.041 . 1 . . . . 42 ARG C . 25327 1 190 . 1 1 24 24 ARG CA C 13 56.154 0.079 . 1 . . . . 42 ARG CA . 25327 1 191 . 1 1 24 24 ARG CB C 13 31.031 0 . 1 . . . . 42 ARG CB . 25327 1 192 . 1 1 24 24 ARG CD C 13 43.42 0 . 1 . . . . 42 ARG CD . 25327 1 193 . 1 1 24 24 ARG N N 15 122.298 0.046 . 1 . . . . 42 ARG N . 25327 1 194 . 1 1 25 25 SER H H 1 8.311 0.014 . 1 . . . . 43 SER H . 25327 1 195 . 1 1 25 25 SER HA H 1 4.675 0.012 . 1 . . . . 43 SER HA . 25327 1 196 . 1 1 25 25 SER HB2 H 1 3.795 0 . 2 . . . . 43 SER HB2 . 25327 1 197 . 1 1 25 25 SER C C 13 174.175 0.082 . 1 . . . . 43 SER C . 25327 1 198 . 1 1 25 25 SER CA C 13 58.383 0.043 . 1 . . . . 43 SER CA . 25327 1 199 . 1 1 25 25 SER CB C 13 63.867 0 . 1 . . . . 43 SER CB . 25327 1 200 . 1 1 25 25 SER N N 15 116.985 0.059 . 1 . . . . 43 SER N . 25327 1 201 . 1 1 26 26 THR H H 1 8.111 0.003 . 1 . . . . 44 THR H . 25327 1 202 . 1 1 26 26 THR HA H 1 4.623 0.011 . 1 . . . . 44 THR HA . 25327 1 203 . 1 1 26 26 THR HB H 1 4.483 0 . 1 . . . . 44 THR HB . 25327 1 204 . 1 1 26 26 THR HG21 H 1 1.169 0 . 2 . . . . 44 THR HG2 . 25327 1 205 . 1 1 26 26 THR HG22 H 1 1.169 0 . 2 . . . . 44 THR HG2 . 25327 1 206 . 1 1 26 26 THR HG23 H 1 1.169 0 . 2 . . . . 44 THR HG2 . 25327 1 207 . 1 1 26 26 THR C C 13 172.857 0 . 1 . . . . 44 THR C . 25327 1 208 . 1 1 26 26 THR CA C 13 59.791 0.071 . 1 . . . . 44 THR CA . 25327 1 209 . 1 1 26 26 THR CB C 13 69.627 0 . 1 . . . . 44 THR CB . 25327 1 210 . 1 1 26 26 THR N N 15 117.678 0.022 . 1 . . . . 44 THR N . 25327 1 211 . 1 1 27 27 PRO HA H 1 4.376 0 . 1 . . . . 45 PRO HA . 25327 1 212 . 1 1 27 27 PRO HB2 H 1 2.186 0 . 2 . . . . 45 PRO HB2 . 25327 1 213 . 1 1 27 27 PRO HB3 H 1 2.186 0 . 2 . . . . 45 PRO HB3 . 25327 1 214 . 1 1 27 27 PRO HG2 H 1 1.814 0 . 2 . . . . 45 PRO HG2 . 25327 1 215 . 1 1 27 27 PRO HG3 H 1 1.814 0 . 2 . . . . 45 PRO HG3 . 25327 1 216 . 1 1 27 27 PRO C C 13 176.652 0 . 1 . . . . 45 PRO C . 25327 1 217 . 1 1 27 27 PRO CA C 13 63.317 0 . 1 . . . . 45 PRO CA . 25327 1 218 . 1 1 27 27 PRO CB C 13 32.113 0 . 1 . . . . 45 PRO CB . 25327 1 219 . 1 1 27 27 PRO CG C 13 27.374 0 . 1 . . . . 45 PRO CG . 25327 1 220 . 1 1 27 27 PRO CD C 13 51.004 0 . 1 . . . . 45 PRO CD . 25327 1 221 . 1 1 28 28 PHE H H 1 8.227 0.008 . 1 . . . . 46 PHE H . 25327 1 222 . 1 1 28 28 PHE HA H 1 4.549 0 . 1 . . . . 46 PHE HA . 25327 1 223 . 1 1 28 28 PHE HB2 H 1 3.048 0 . 2 . . . . 46 PHE HB2 . 25327 1 224 . 1 1 28 28 PHE HB3 H 1 3.048 0 . 2 . . . . 46 PHE HB3 . 25327 1 225 . 1 1 28 28 PHE C C 13 175.628 0.038 . 1 . . . . 46 PHE C . 25327 1 226 . 1 1 28 28 PHE CA C 13 58.15 0.091 . 1 . . . . 46 PHE CA . 25327 1 227 . 1 1 28 28 PHE CB C 13 39.565 0.058 . 1 . . . . 46 PHE CB . 25327 1 228 . 1 1 28 28 PHE N N 15 120.506 0.036 . 1 . . . . 46 PHE N . 25327 1 229 . 1 1 29 29 GLU H H 1 8.226 0.006 . 1 . . . . 47 GLU H . 25327 1 230 . 1 1 29 29 GLU HA H 1 4.174 0.002 . 1 . . . . 47 GLU HA . 25327 1 231 . 1 1 29 29 GLU C C 13 175.618 0.016 . 1 . . . . 47 GLU C . 25327 1 232 . 1 1 29 29 GLU CA C 13 56.29 0.054 . 1 . . . . 47 GLU CA . 25327 1 233 . 1 1 29 29 GLU CB C 13 30.562 0.003 . 1 . . . . 47 GLU CB . 25327 1 234 . 1 1 29 29 GLU CG C 13 36.203 0 . 1 . . . . 47 GLU CG . 25327 1 235 . 1 1 29 29 GLU N N 15 122.883 0.06 . 1 . . . . 47 GLU N . 25327 1 236 . 1 1 30 30 ALA H H 1 8.277 0.009 . 1 . . . . 48 ALA H . 25327 1 237 . 1 1 30 30 ALA HA H 1 4.324 0 . 1 . . . . 48 ALA HA . 25327 1 238 . 1 1 30 30 ALA HB1 H 1 1.37 0 . 2 . . . . 48 ALA HB . 25327 1 239 . 1 1 30 30 ALA HB2 H 1 1.37 0 . 2 . . . . 48 ALA HB . 25327 1 240 . 1 1 30 30 ALA HB3 H 1 1.37 0 . 2 . . . . 48 ALA HB . 25327 1 241 . 1 1 30 30 ALA C C 13 178.029 0.034 . 1 . . . . 48 ALA C . 25327 1 242 . 1 1 30 30 ALA CA C 13 52.717 0.063 . 1 . . . . 48 ALA CA . 25327 1 243 . 1 1 30 30 ALA CB C 13 19.252 0.023 . 1 . . . . 48 ALA CB . 25327 1 244 . 1 1 30 30 ALA N N 15 125.407 0.041 . 1 . . . . 48 ALA N . 25327 1 245 . 1 1 31 31 THR H H 1 8.147 0.004 . 1 . . . . 49 THR H . 25327 1 246 . 1 1 31 31 THR HA H 1 4.383 0 . 1 . . . . 49 THR HA . 25327 1 247 . 1 1 31 31 THR HG21 H 1 1.196 0 . 2 . . . . 49 THR HG2 . 25327 1 248 . 1 1 31 31 THR HG22 H 1 1.196 0 . 2 . . . . 49 THR HG2 . 25327 1 249 . 1 1 31 31 THR HG23 H 1 1.196 0 . 2 . . . . 49 THR HG2 . 25327 1 250 . 1 1 31 31 THR C C 13 174.93 0.003 . 1 . . . . 49 THR C . 25327 1 251 . 1 1 31 31 THR CA C 13 61.977 0.083 . 1 . . . . 49 THR CA . 25327 1 252 . 1 1 31 31 THR CB C 13 69.707 0 . 1 . . . . 49 THR CB . 25327 1 253 . 1 1 31 31 THR CG2 C 13 21.623 0 . 2 . . . . 49 THR CG2 . 25327 1 254 . 1 1 31 31 THR N N 15 113.042 0.029 . 1 . . . . 49 THR N . 25327 1 255 . 1 1 32 32 THR H H 1 8.115 0.004 . 1 . . . . 50 THR H . 25327 1 256 . 1 1 32 32 THR HA H 1 4.351 0.023 . 1 . . . . 50 THR HA . 25327 1 257 . 1 1 32 32 THR C C 13 174.708 0.033 . 1 . . . . 50 THR C . 25327 1 258 . 1 1 32 32 THR CA C 13 61.959 0.086 . 1 . . . . 50 THR CA . 25327 1 259 . 1 1 32 32 THR CB C 13 69.702 0.05 . 1 . . . . 50 THR CB . 25327 1 260 . 1 1 32 32 THR CG2 C 13 21.601 0 . 2 . . . . 50 THR CG2 . 25327 1 261 . 1 1 32 32 THR N N 15 115.703 0.029 . 1 . . . . 50 THR N . 25327 1 262 . 1 1 33 33 SER H H 1 8.299 0.006 . 1 . . . . 51 SER H . 25327 1 263 . 1 1 33 33 SER HA H 1 4.338 0 . 1 . . . . 51 SER HA . 25327 1 264 . 1 1 33 33 SER HB3 H 1 3.791 0 . 2 . . . . 51 SER HB3 . 25327 1 265 . 1 1 33 33 SER C C 13 174.421 0.067 . 1 . . . . 51 SER C . 25327 1 266 . 1 1 33 33 SER CA C 13 58.496 0.074 . 1 . . . . 51 SER CA . 25327 1 267 . 1 1 33 33 SER CB C 13 63.88 0.048 . 1 . . . . 51 SER CB . 25327 1 268 . 1 1 33 33 SER N N 15 118.119 0.052 . 1 . . . . 51 SER N . 25327 1 269 . 1 1 34 34 ALA H H 1 8.368 0.006 . 1 . . . . 52 ALA H . 25327 1 270 . 1 1 34 34 ALA HA H 1 4.34 0 . 1 . . . . 52 ALA HA . 25327 1 271 . 1 1 34 34 ALA HB1 H 1 1.378 0 . 2 . . . . 52 ALA HB . 25327 1 272 . 1 1 34 34 ALA HB2 H 1 1.378 0 . 2 . . . . 52 ALA HB . 25327 1 273 . 1 1 34 34 ALA HB3 H 1 1.378 0 . 2 . . . . 52 ALA HB . 25327 1 274 . 1 1 34 34 ALA C C 13 177.724 0.03 . 1 . . . . 52 ALA C . 25327 1 275 . 1 1 34 34 ALA CA C 13 52.724 0.049 . 1 . . . . 52 ALA CA . 25327 1 276 . 1 1 34 34 ALA CB C 13 19.186 0.047 . 1 . . . . 52 ALA CB . 25327 1 277 . 1 1 34 34 ALA N N 15 126.212 0.022 . 1 . . . . 52 ALA N . 25327 1 278 . 1 1 35 35 LEU H H 1 8.139 0.004 . 1 . . . . 53 LEU H . 25327 1 279 . 1 1 35 35 LEU HA H 1 4.324 0 . 1 . . . . 53 LEU HA . 25327 1 280 . 1 1 35 35 LEU HB2 H 1 1.635 0 . 2 . . . . 53 LEU HB2 . 25327 1 281 . 1 1 35 35 LEU HB3 H 1 1.635 0 . 2 . . . . 53 LEU HB3 . 25327 1 282 . 1 1 35 35 LEU HG H 1 1.635 0 . 1 . . . . 53 LEU HG . 25327 1 283 . 1 1 35 35 LEU HD21 H 1 0.853 0 . 2 . . . . 53 LEU HD2 . 25327 1 284 . 1 1 35 35 LEU HD22 H 1 0.853 0 . 2 . . . . 53 LEU HD2 . 25327 1 285 . 1 1 35 35 LEU HD23 H 1 0.853 0 . 2 . . . . 53 LEU HD2 . 25327 1 286 . 1 1 35 35 LEU C C 13 177.98 0.047 . 1 . . . . 53 LEU C . 25327 1 287 . 1 1 35 35 LEU CA C 13 55.434 0.034 . 1 . . . . 53 LEU CA . 25327 1 288 . 1 1 35 35 LEU CB C 13 42.185 0.081 . 1 . . . . 53 LEU CB . 25327 1 289 . 1 1 35 35 LEU CG C 13 27.012 0 . 1 . . . . 53 LEU CG . 25327 1 290 . 1 1 35 35 LEU CD1 C 13 25.119 0 . 2 . . . . 53 LEU CD1 . 25327 1 291 . 1 1 35 35 LEU CD2 C 13 23.343 0 . 2 . . . . 53 LEU CD2 . 25327 1 292 . 1 1 35 35 LEU N N 15 120.641 0.049 . 1 . . . . 53 LEU N . 25327 1 293 . 1 1 36 36 GLY H H 1 8.231 0.005 . 1 . . . . 54 GLY H . 25327 1 294 . 1 1 36 36 GLY HA2 H 1 3.926 0.008 . 2 . . . . 54 GLY HA2 . 25327 1 295 . 1 1 36 36 GLY C C 13 173.782 0.013 . 1 . . . . 54 GLY C . 25327 1 296 . 1 1 36 36 GLY CA C 13 45.385 0.042 . 1 . . . . 54 GLY CA . 25327 1 297 . 1 1 36 36 GLY N N 15 108.819 0.017 . 1 . . . . 54 GLY N . 25327 1 298 . 1 1 37 37 ASP H H 1 8.177 0.005 . 1 . . . . 55 ASP H . 25327 1 299 . 1 1 37 37 ASP HA H 1 4.579 0 . 1 . . . . 55 ASP HA . 25327 1 300 . 1 1 37 37 ASP HB2 H 1 2.748 0 . 2 . . . . 55 ASP HB2 . 25327 1 301 . 1 1 37 37 ASP HB3 H 1 2.748 0 . 2 . . . . 55 ASP HB3 . 25327 1 302 . 1 1 37 37 ASP C C 13 175.625 0 . 1 . . . . 55 ASP C . 25327 1 303 . 1 1 37 37 ASP CA C 13 54.204 0 . 1 . . . . 55 ASP CA . 25327 1 304 . 1 1 37 37 ASP CB C 13 41.147 0 . 1 . . . . 55 ASP CB . 25327 1 305 . 1 1 37 37 ASP N N 15 120.078 0.044 . 1 . . . . 55 ASP N . 25327 1 306 . 1 1 39 39 ARG C C 13 177.975 0.03 . 1 . . . . 57 ARG C . 25327 1 307 . 1 1 39 39 ARG CA C 13 58.868 0.015 . 1 . . . . 57 ARG CA . 25327 1 308 . 1 1 39 39 ARG CB C 13 30.056 0 . 1 . . . . 57 ARG CB . 25327 1 309 . 1 1 39 39 ARG CG C 13 26.169 0 . 1 . . . . 57 ARG CG . 25327 1 310 . 1 1 39 39 ARG CD C 13 43.109 0 . 1 . . . . 57 ARG CD . 25327 1 311 . 1 1 40 40 GLU H H 1 9.063 0.004 . 1 . . . . 58 GLU H . 25327 1 312 . 1 1 40 40 GLU HA H 1 4.258 0.021 . 1 . . . . 58 GLU HA . 25327 1 313 . 1 1 40 40 GLU HB2 H 1 2.136 0.017 . 2 . . . . 58 GLU HB2 . 25327 1 314 . 1 1 40 40 GLU HB3 H 1 1.884 0 . 2 . . . . 58 GLU HB3 . 25327 1 315 . 1 1 40 40 GLU C C 13 176.37 0.002 . 1 . . . . 58 GLU C . 25327 1 316 . 1 1 40 40 GLU CA C 13 57.087 0.074 . 1 . . . . 58 GLU CA . 25327 1 317 . 1 1 40 40 GLU CB C 13 28.646 0.038 . 1 . . . . 58 GLU CB . 25327 1 318 . 1 1 40 40 GLU CG C 13 36.495 0 . 1 . . . . 58 GLU CG . 25327 1 319 . 1 1 40 40 GLU N N 15 118.081 0.027 . 1 . . . . 58 GLU N . 25327 1 320 . 1 1 41 41 CYS H H 1 7.926 0.009 . 1 . . . . 59 CYS H . 25327 1 321 . 1 1 41 41 CYS HA H 1 4.549 0 . 1 . . . . 59 CYS HA . 25327 1 322 . 1 1 41 41 CYS HB2 H 1 3.372 0 . 2 . . . . 59 CYS HB2 . 25327 1 323 . 1 1 41 41 CYS C C 13 174.732 0.025 . 1 . . . . 59 CYS C . 25327 1 324 . 1 1 41 41 CYS CA C 13 60.076 0.078 . 1 . . . . 59 CYS CA . 25327 1 325 . 1 1 41 41 CYS CB C 13 37.464 0 . 1 . . . . 59 CYS CB . 25327 1 326 . 1 1 41 41 CYS N N 15 118.556 0.019 . 1 . . . . 59 CYS N . 25327 1 327 . 1 1 42 42 ILE H H 1 7.926 0.006 . 1 . . . . 60 ILE H . 25327 1 328 . 1 1 42 42 ILE HA H 1 4.027 0.029 . 1 . . . . 60 ILE HA . 25327 1 329 . 1 1 42 42 ILE HB H 1 1.748 0 . 1 . . . . 60 ILE HB . 25327 1 330 . 1 1 42 42 ILE HG12 H 1 1.429 0 . 2 . . . . 60 ILE HG12 . 25327 1 331 . 1 1 42 42 ILE HG13 H 1 1.202 0 . 2 . . . . 60 ILE HG13 . 25327 1 332 . 1 1 42 42 ILE HD11 H 1 0.852 0 . 3 . . . . 60 ILE HD1 . 25327 1 333 . 1 1 42 42 ILE HD12 H 1 0.852 0 . 3 . . . . 60 ILE HD1 . 25327 1 334 . 1 1 42 42 ILE HD13 H 1 0.852 0 . 3 . . . . 60 ILE HD1 . 25327 1 335 . 1 1 42 42 ILE C C 13 176.173 0.012 . 1 . . . . 60 ILE C . 25327 1 336 . 1 1 42 42 ILE CA C 13 61.898 0.069 . 1 . . . . 60 ILE CA . 25327 1 337 . 1 1 42 42 ILE CB C 13 38.515 0.066 . 1 . . . . 60 ILE CB . 25327 1 338 . 1 1 42 42 ILE CG2 C 13 17.479 0 . 2 . . . . 60 ILE CG2 . 25327 1 339 . 1 1 42 42 ILE CD1 C 13 12.996 0 . 2 . . . . 60 ILE CD1 . 25327 1 340 . 1 1 42 42 ILE N N 15 120.102 0.028 . 1 . . . . 60 ILE N . 25327 1 341 . 1 1 43 43 ALA H H 1 8.121 0.003 . 1 . . . . 61 ALA H . 25327 1 342 . 1 1 43 43 ALA HA H 1 4.239 0 . 1 . . . . 61 ALA HA . 25327 1 343 . 1 1 43 43 ALA HB1 H 1 1.312 0.005 . 2 . . . . 61 ALA HB . 25327 1 344 . 1 1 43 43 ALA HB2 H 1 1.312 0.005 . 2 . . . . 61 ALA HB . 25327 1 345 . 1 1 43 43 ALA HB3 H 1 1.312 0.005 . 2 . . . . 61 ALA HB . 25327 1 346 . 1 1 43 43 ALA C C 13 177.604 0.019 . 1 . . . . 61 ALA C . 25327 1 347 . 1 1 43 43 ALA CA C 13 52.909 0.026 . 1 . . . . 61 ALA CA . 25327 1 348 . 1 1 43 43 ALA CB C 13 18.981 0.026 . 1 . . . . 61 ALA CB . 25327 1 349 . 1 1 43 43 ALA N N 15 126.162 0.028 . 1 . . . . 61 ALA N . 25327 1 350 . 1 1 44 44 TYR H H 1 7.947 0.005 . 1 . . . . 62 TYR H . 25327 1 351 . 1 1 44 44 TYR HA H 1 4.545 0.028 . 1 . . . . 62 TYR HA . 25327 1 352 . 1 1 44 44 TYR HB2 H 1 3.065 0 . 2 . . . . 62 TYR HB2 . 25327 1 353 . 1 1 44 44 TYR HB3 H 1 3.065 0 . 2 . . . . 62 TYR HB3 . 25327 1 354 . 1 1 44 44 TYR HD1 H 1 7.072 0 . 3 . . . . 62 TYR HD1 . 25327 1 355 . 1 1 44 44 TYR C C 13 176.046 0.019 . 1 . . . . 62 TYR C . 25327 1 356 . 1 1 44 44 TYR CA C 13 58.317 0.09 . 1 . . . . 62 TYR CA . 25327 1 357 . 1 1 44 44 TYR CB C 13 38.581 0.016 . 1 . . . . 62 TYR CB . 25327 1 358 . 1 1 44 44 TYR N N 15 118.817 0.033 . 1 . . . . 62 TYR N . 25327 1 359 . 1 1 45 45 ARG H H 1 8.063 0.005 . 1 . . . . 63 ARG H . 25327 1 360 . 1 1 45 45 ARG HA H 1 4.345 0.034 . 1 . . . . 63 ARG HA . 25327 1 361 . 1 1 45 45 ARG HB3 H 1 1.815 0 . 2 . . . . 63 ARG HB3 . 25327 1 362 . 1 1 45 45 ARG HG2 H 1 1.683 0 . 2 . . . . 63 ARG HG2 . 25327 1 363 . 1 1 45 45 ARG HG3 H 1 1.667 0 . 2 . . . . 63 ARG HG3 . 25327 1 364 . 1 1 45 45 ARG HD2 H 1 3.033 0 . 2 . . . . 63 ARG HD2 . 25327 1 365 . 1 1 45 45 ARG HD3 H 1 2.988 0 . 2 . . . . 63 ARG HD3 . 25327 1 366 . 1 1 45 45 ARG C C 13 176.317 0.026 . 1 . . . . 63 ARG C . 25327 1 367 . 1 1 45 45 ARG CA C 13 56.325 0.051 . 1 . . . . 63 ARG CA . 25327 1 368 . 1 1 45 45 ARG CB C 13 30.954 0.004 . 1 . . . . 63 ARG CB . 25327 1 369 . 1 1 45 45 ARG CD C 13 43.432 0 . 1 . . . . 63 ARG CD . 25327 1 370 . 1 1 45 45 ARG N N 15 121.952 0.033 . 1 . . . . 63 ARG N . 25327 1 371 . 1 1 46 46 THR H H 1 8.116 0.004 . 1 . . . . 64 THR H . 25327 1 372 . 1 1 46 46 THR HA H 1 4.621 0 . 1 . . . . 64 THR HA . 25327 1 373 . 1 1 46 46 THR C C 13 175.178 0.012 . 1 . . . . 64 THR C . 25327 1 374 . 1 1 46 46 THR CA C 13 62.178 0.092 . 1 . . . . 64 THR CA . 25327 1 375 . 1 1 46 46 THR CB C 13 69.682 0 . 1 . . . . 64 THR CB . 25327 1 376 . 1 1 46 46 THR CG2 C 13 21.592 0 . 2 . . . . 64 THR CG2 . 25327 1 377 . 1 1 46 46 THR N N 15 114.418 0.064 . 1 . . . . 64 THR N . 25327 1 378 . 1 1 47 47 GLY H H 1 8.37 0.011 . 1 . . . . 65 GLY H . 25327 1 379 . 1 1 47 47 GLY HA2 H 1 3.904 0.028 . 2 . . . . 65 GLY HA2 . 25327 1 380 . 1 1 47 47 GLY C C 13 173.95 0.036 . 1 . . . . 65 GLY C . 25327 1 381 . 1 1 47 47 GLY CA C 13 45.37 0.031 . 1 . . . . 65 GLY CA . 25327 1 382 . 1 1 47 47 GLY N N 15 111.227 0.039 . 1 . . . . 65 GLY N . 25327 1 383 . 1 1 48 48 ALA H H 1 8.171 0.005 . 1 . . . . 66 ALA H . 25327 1 384 . 1 1 48 48 ALA HA H 1 4.45 0 . 1 . . . . 66 ALA HA . 25327 1 385 . 1 1 48 48 ALA HB1 H 1 1.398 0.022 . 2 . . . . 66 ALA HB . 25327 1 386 . 1 1 48 48 ALA HB2 H 1 1.398 0.022 . 2 . . . . 66 ALA HB . 25327 1 387 . 1 1 48 48 ALA HB3 H 1 1.398 0.022 . 2 . . . . 66 ALA HB . 25327 1 388 . 1 1 48 48 ALA C C 13 178.183 0 . 1 . . . . 66 ALA C . 25327 1 389 . 1 1 48 48 ALA CA C 13 52.747 0.061 . 1 . . . . 66 ALA CA . 25327 1 390 . 1 1 48 48 ALA CB C 13 19.521 0.056 . 1 . . . . 66 ALA CB . 25327 1 391 . 1 1 48 48 ALA N N 15 123.696 0.033 . 1 . . . . 66 ALA N . 25327 1 392 . 1 1 50 50 THR C C 13 175.137 0 . 1 . . . . 68 THR C . 25327 1 393 . 1 1 50 50 THR CA C 13 61.795 0 . 1 . . . . 68 THR CA . 25327 1 394 . 1 1 50 50 THR CB C 13 69.926 0 . 1 . . . . 68 THR CB . 25327 1 395 . 1 1 50 50 THR CG2 C 13 21.57 0 . 2 . . . . 68 THR CG2 . 25327 1 396 . 1 1 51 51 GLY H H 1 8.43 0.012 . 1 . . . . 69 GLY H . 25327 1 397 . 1 1 51 51 GLY HA2 H 1 3.936 0 . 2 . . . . 69 GLY HA2 . 25327 1 398 . 1 1 51 51 GLY C C 13 175.803 0 . 1 . . . . 69 GLY C . 25327 1 399 . 1 1 51 51 GLY CA C 13 45.465 0 . 1 . . . . 69 GLY CA . 25327 1 400 . 1 1 51 51 GLY N N 15 111.107 0.123 . 1 . . . . 69 GLY N . 25327 1 401 . 1 1 52 52 LYS H H 1 8.136 0.01 . 1 . . . . 70 LYS H . 25327 1 402 . 1 1 52 52 LYS HA H 1 4.24 0.029 . 1 . . . . 70 LYS HA . 25327 1 403 . 1 1 52 52 LYS HB2 H 1 2.045 0 . 2 . . . . 70 LYS HB2 . 25327 1 404 . 1 1 52 52 LYS C C 13 175.697 0 . 1 . . . . 70 LYS C . 25327 1 405 . 1 1 52 52 LYS CA C 13 56.239 0 . 1 . . . . 70 LYS CA . 25327 1 406 . 1 1 52 52 LYS CB C 13 30.713 0 . 1 . . . . 70 LYS CB . 25327 1 407 . 1 1 52 52 LYS N N 15 122.621 0.06 . 1 . . . . 70 LYS N . 25327 1 408 . 1 1 55 55 ARG C C 13 176.124 0 . 1 . . . . 73 ARG C . 25327 1 409 . 1 1 55 55 ARG CA C 13 56.12 0 . 1 . . . . 73 ARG CA . 25327 1 410 . 1 1 55 55 ARG CB C 13 30.891 0 . 1 . . . . 73 ARG CB . 25327 1 411 . 1 1 55 55 ARG CG C 13 25.941 0 . 1 . . . . 73 ARG CG . 25327 1 412 . 1 1 55 55 ARG CD C 13 43.362 0 . 1 . . . . 73 ARG CD . 25327 1 413 . 1 1 56 56 ARG H H 1 8.404 0.009 . 1 . . . . 74 ARG H . 25327 1 414 . 1 1 56 56 ARG HA H 1 4.314 0 . 1 . . . . 74 ARG HA . 25327 1 415 . 1 1 56 56 ARG HB3 H 1 1.728 0 . 2 . . . . 74 ARG HB3 . 25327 1 416 . 1 1 56 56 ARG C C 13 176.201 0 . 1 . . . . 74 ARG C . 25327 1 417 . 1 1 56 56 ARG CA C 13 56.28 0.153 . 1 . . . . 74 ARG CA . 25327 1 418 . 1 1 56 56 ARG CB C 13 30.984 0 . 1 . . . . 74 ARG CB . 25327 1 419 . 1 1 56 56 ARG N N 15 122.625 0.051 . 1 . . . . 74 ARG N . 25327 1 420 . 1 1 58 58 ASP H H 1 8.238 0.01 . 1 . . . . 76 ASP H . 25327 1 421 . 1 1 58 58 ASP HA H 1 4.024 0 . 1 . . . . 76 ASP HA . 25327 1 422 . 1 1 58 58 ASP C C 13 175.93 0.112 . 1 . . . . 76 ASP C . 25327 1 423 . 1 1 58 58 ASP CA C 13 54.148 0.046 . 1 . . . . 76 ASP CA . 25327 1 424 . 1 1 58 58 ASP CB C 13 40.998 0 . 1 . . . . 76 ASP CB . 25327 1 425 . 1 1 58 58 ASP N N 15 121.547 0.025 . 1 . . . . 76 ASP N . 25327 1 426 . 1 1 59 59 ASP H H 1 8.34 0.009 . 1 . . . . 77 ASP H . 25327 1 427 . 1 1 59 59 ASP HA H 1 4.657 0.012 . 1 . . . . 77 ASP HA . 25327 1 428 . 1 1 59 59 ASP HB2 H 1 2.683 0 . 2 . . . . 77 ASP HB2 . 25327 1 429 . 1 1 59 59 ASP HB3 H 1 2.683 0 . 2 . . . . 77 ASP HB3 . 25327 1 430 . 1 1 59 59 ASP C C 13 176.745 0.003 . 1 . . . . 77 ASP C . 25327 1 431 . 1 1 59 59 ASP CA C 13 54.561 0.098 . 1 . . . . 77 ASP CA . 25327 1 432 . 1 1 59 59 ASP CB C 13 41.033 0.016 . 1 . . . . 77 ASP CB . 25327 1 433 . 1 1 59 59 ASP N N 15 121.338 0.035 . 1 . . . . 77 ASP N . 25327 1 434 . 1 1 60 60 THR H H 1 8.217 0.006 . 1 . . . . 78 THR H . 25327 1 435 . 1 1 60 60 THR HA H 1 4.272 0.024 . 1 . . . . 78 THR HA . 25327 1 436 . 1 1 60 60 THR HG21 H 1 1.185 0 . 2 . . . . 78 THR HG2 . 25327 1 437 . 1 1 60 60 THR HG22 H 1 1.185 0 . 2 . . . . 78 THR HG2 . 25327 1 438 . 1 1 60 60 THR HG23 H 1 1.185 0 . 2 . . . . 78 THR HG2 . 25327 1 439 . 1 1 60 60 THR C C 13 175.01 0.008 . 1 . . . . 78 THR C . 25327 1 440 . 1 1 60 60 THR CA C 13 62.74 0.052 . 1 . . . . 78 THR CA . 25327 1 441 . 1 1 60 60 THR CB C 13 69.55 0.015 . 1 . . . . 78 THR CB . 25327 1 442 . 1 1 60 60 THR CG2 C 13 21.748 0 . 2 . . . . 78 THR CG2 . 25327 1 443 . 1 1 60 60 THR N N 15 114.109 0.017 . 1 . . . . 78 THR N . 25327 1 444 . 1 1 61 61 VAL H H 1 7.97 0.004 . 1 . . . . 79 VAL H . 25327 1 445 . 1 1 61 61 VAL HA H 1 4.087 0.012 . 1 . . . . 79 VAL HA . 25327 1 446 . 1 1 61 61 VAL HB H 1 2.067 0 . 1 . . . . 79 VAL HB . 25327 1 447 . 1 1 61 61 VAL HG11 H 1 0.941 0 . 2 . . . . 79 VAL HG1 . 25327 1 448 . 1 1 61 61 VAL HG12 H 1 0.941 0 . 2 . . . . 79 VAL HG1 . 25327 1 449 . 1 1 61 61 VAL HG13 H 1 0.941 0 . 2 . . . . 79 VAL HG1 . 25327 1 450 . 1 1 61 61 VAL HG21 H 1 0.941 0 . 2 . . . . 79 VAL HG2 . 25327 1 451 . 1 1 61 61 VAL HG22 H 1 0.941 0 . 2 . . . . 79 VAL HG2 . 25327 1 452 . 1 1 61 61 VAL HG23 H 1 0.941 0 . 2 . . . . 79 VAL HG2 . 25327 1 453 . 1 1 61 61 VAL C C 13 176.351 0.037 . 1 . . . . 79 VAL C . 25327 1 454 . 1 1 61 61 VAL CA C 13 62.661 0.027 . 1 . . . . 79 VAL CA . 25327 1 455 . 1 1 61 61 VAL CB C 13 32.714 0.04 . 1 . . . . 79 VAL CB . 25327 1 456 . 1 1 61 61 VAL CG1 C 13 21.012 0 . 2 . . . . 79 VAL CG1 . 25327 1 457 . 1 1 61 61 VAL CG2 C 13 21.012 0 . 2 . . . . 79 VAL CG2 . 25327 1 458 . 1 1 61 61 VAL N N 15 122.003 0.026 . 1 . . . . 79 VAL N . 25327 1 459 . 1 1 62 62 SER H H 1 8.345 0.004 . 1 . . . . 80 SER H . 25327 1 460 . 1 1 62 62 SER HA H 1 4.41 0 . 1 . . . . 80 SER HA . 25327 1 461 . 1 1 62 62 SER HB2 H 1 3.919 0 . 2 . . . . 80 SER HB2 . 25327 1 462 . 1 1 62 62 SER C C 13 174.715 0.013 . 1 . . . . 80 SER C . 25327 1 463 . 1 1 62 62 SER CA C 13 58.507 0.034 . 1 . . . . 80 SER CA . 25327 1 464 . 1 1 62 62 SER CB C 13 63.675 0.096 . 1 . . . . 80 SER CB . 25327 1 465 . 1 1 62 62 SER N N 15 119.187 0.039 . 1 . . . . 80 SER N . 25327 1 466 . 1 1 63 63 ARG H H 1 8.347 0.004 . 1 . . . . 81 ARG H . 25327 1 467 . 1 1 63 63 ARG HA H 1 4.312 0.024 . 1 . . . . 81 ARG HA . 25327 1 468 . 1 1 63 63 ARG HB2 H 1 1.839 0 . 2 . . . . 81 ARG HB2 . 25327 1 469 . 1 1 63 63 ARG HB3 H 1 1.839 0 . 2 . . . . 81 ARG HB3 . 25327 1 470 . 1 1 63 63 ARG C C 13 176.163 0.038 . 1 . . . . 81 ARG C . 25327 1 471 . 1 1 63 63 ARG CA C 13 56.302 0.099 . 1 . . . . 81 ARG CA . 25327 1 472 . 1 1 63 63 ARG CB C 13 30.863 0.012 . 1 . . . . 81 ARG CB . 25327 1 473 . 1 1 63 63 ARG CD C 13 43.345 0 . 1 . . . . 81 ARG CD . 25327 1 474 . 1 1 63 63 ARG N N 15 123.285 0.024 . 1 . . . . 81 ARG N . 25327 1 475 . 1 1 64 64 GLU H H 1 8.323 0.007 . 2 . . . . 82 GLU H . 25327 1 476 . 1 1 64 64 GLU HA H 1 4.285 0.026 . 1 . . . . 82 GLU HA . 25327 1 477 . 1 1 64 64 GLU HB2 H 1 2.06 0 . 2 . . . . 82 GLU HB2 . 25327 1 478 . 1 1 64 64 GLU HB3 H 1 2.06 0 . 2 . . . . 82 GLU HB3 . 25327 1 479 . 1 1 64 64 GLU C C 13 176.356 0.002 . 1 . . . . 82 GLU C . 25327 1 480 . 1 1 64 64 GLU CA C 13 56.561 0.095 . 1 . . . . 82 GLU CA . 25327 1 481 . 1 1 64 64 GLU CB C 13 30.29 0.045 . 1 . . . . 82 GLU CB . 25327 1 482 . 1 1 64 64 GLU CG C 13 36.218 0 . 1 . . . . 82 GLU CG . 25327 1 483 . 1 1 64 64 GLU N N 15 121.708 0.044 . 1 . . . . 82 GLU N . 25327 1 484 . 1 1 65 65 ILE H H 1 8.239 0.005 . 1 . . . . 83 ILE H . 25327 1 485 . 1 1 65 65 ILE HA H 1 4.16 0.016 . 1 . . . . 83 ILE HA . 25327 1 486 . 1 1 65 65 ILE HB H 1 1.944 0 . 1 . . . . 83 ILE HB . 25327 1 487 . 1 1 65 65 ILE HG12 H 1 1.528 0 . 2 . . . . 83 ILE HG12 . 25327 1 488 . 1 1 65 65 ILE HG21 H 1 1.046 0.027 . 2 . . . . 83 ILE HG2 . 25327 1 489 . 1 1 65 65 ILE HG22 H 1 1.046 0.027 . 2 . . . . 83 ILE HG2 . 25327 1 490 . 1 1 65 65 ILE HG23 H 1 1.046 0.027 . 2 . . . . 83 ILE HG2 . 25327 1 491 . 1 1 65 65 ILE HD11 H 1 0.853 0.006 . 3 . . . . 83 ILE HD1 . 25327 1 492 . 1 1 65 65 ILE HD12 H 1 0.853 0.006 . 3 . . . . 83 ILE HD1 . 25327 1 493 . 1 1 65 65 ILE HD13 H 1 0.853 0.006 . 3 . . . . 83 ILE HD1 . 25327 1 494 . 1 1 65 65 ILE C C 13 176.347 0.031 . 1 . . . . 83 ILE C . 25327 1 495 . 1 1 65 65 ILE CA C 13 61.073 0.038 . 1 . . . . 83 ILE CA . 25327 1 496 . 1 1 65 65 ILE CB C 13 38.442 0.069 . 1 . . . . 83 ILE CB . 25327 1 497 . 1 1 65 65 ILE CG1 C 13 27.309 0 . 2 . . . . 83 ILE CG1 . 25327 1 498 . 1 1 65 65 ILE CG2 C 13 17.503 0 . 2 . . . . 83 ILE CG2 . 25327 1 499 . 1 1 65 65 ILE CD1 C 13 12.687 0 . 2 . . . . 83 ILE CD1 . 25327 1 500 . 1 1 65 65 ILE N N 15 123.107 0.027 . 1 . . . . 83 ILE N . 25327 1 501 . 1 1 66 66 LYS H H 1 8.45 0.004 . 1 . . . . 84 LYS H . 25327 1 502 . 1 1 66 66 LYS HA H 1 4.326 0 . 1 . . . . 84 LYS HA . 25327 1 503 . 1 1 66 66 LYS HB2 H 1 1.697 0 . 2 . . . . 84 LYS HB2 . 25327 1 504 . 1 1 66 66 LYS HB3 H 1 1.697 0 . 2 . . . . 84 LYS HB3 . 25327 1 505 . 1 1 66 66 LYS C C 13 177.032 0.018 . 1 . . . . 84 LYS C . 25327 1 506 . 1 1 66 66 LYS CA C 13 56.5 0.096 . 1 . . . . 84 LYS CA . 25327 1 507 . 1 1 66 66 LYS CB C 13 33.015 0.024 . 1 . . . . 84 LYS CB . 25327 1 508 . 1 1 66 66 LYS CG C 13 24.788 0 . 1 . . . . 84 LYS CG . 25327 1 509 . 1 1 66 66 LYS CD C 13 29.069 0 . 1 . . . . 84 LYS CD . 25327 1 510 . 1 1 66 66 LYS CE C 13 42.097 0 . 1 . . . . 84 LYS CE . 25327 1 511 . 1 1 66 66 LYS N N 15 126.153 0.034 . 1 . . . . 84 LYS N . 25327 1 512 . 1 1 67 67 GLY H H 1 8.447 0.008 . 2 . . . . 85 GLY H . 25327 1 513 . 1 1 67 67 GLY HA2 H 1 3.932 0 . 2 . . . . 85 GLY HA2 . 25327 1 514 . 1 1 67 67 GLY HA3 H 1 3.953 0 . 2 . . . . 85 GLY HA3 . 25327 1 515 . 1 1 67 67 GLY C C 13 174.114 0 . 1 . . . . 85 GLY C . 25327 1 516 . 1 1 67 67 GLY CA C 13 45.295 0.019 . 1 . . . . 85 GLY CA . 25327 1 517 . 1 1 67 67 GLY N N 15 110.489 0.052 . 1 . . . . 85 GLY N . 25327 1 518 . 1 1 68 68 SER C C 13 173.359 0 . 1 . . . . 86 SER C . 25327 1 519 . 1 1 68 68 SER CA C 13 58.073 0.083 . 1 . . . . 86 SER CA . 25327 1 520 . 1 1 68 68 SER CB C 13 63.954 0 . 1 . . . . 86 SER CB . 25327 1 521 . 1 1 69 69 SER H H 1 7.98 0.006 . 2 . . . . 87 SER H . 25327 1 522 . 1 1 69 69 SER HA H 1 4.314 0.011 . 1 . . . . 87 SER HA . 25327 1 523 . 1 1 69 69 SER C C 13 172.759 0 . 1 . . . . 87 SER C . 25327 1 524 . 1 1 69 69 SER CA C 13 58.999 0.092 . 1 . . . . 87 SER CA . 25327 1 525 . 1 1 69 69 SER CB C 13 64.241 0 . 1 . . . . 87 SER CB . 25327 1 526 . 1 1 69 69 SER N N 15 115.471 0.021 . 1 . . . . 87 SER N . 25327 1 527 . 1 1 70 70 ALA C C 13 177.574 0.003 . 1 . . . . 88 ALA C . 25327 1 528 . 1 1 70 70 ALA CA C 13 52.515 0.066 . 1 . . . . 88 ALA CA . 25327 1 529 . 1 1 70 70 ALA CB C 13 19.391 0.104 . 1 . . . . 88 ALA CB . 25327 1 530 . 1 1 71 71 THR H H 1 8.18 0.004 . 1 . . . . 89 THR H . 25327 1 531 . 1 1 71 71 THR HA H 1 4.609 0.018 . 1 . . . . 89 THR HA . 25327 1 532 . 1 1 71 71 THR HG21 H 1 1.212 0 . 2 . . . . 89 THR HG2 . 25327 1 533 . 1 1 71 71 THR HG22 H 1 1.212 0 . 2 . . . . 89 THR HG2 . 25327 1 534 . 1 1 71 71 THR HG23 H 1 1.212 0 . 2 . . . . 89 THR HG2 . 25327 1 535 . 1 1 71 71 THR C C 13 173.038 0 . 1 . . . . 89 THR C . 25327 1 536 . 1 1 71 71 THR CA C 13 59.714 0.07 . 1 . . . . 89 THR CA . 25327 1 537 . 1 1 71 71 THR CB C 13 69.646 0 . 1 . . . . 89 THR CB . 25327 1 538 . 1 1 71 71 THR N N 15 115.825 0.028 . 1 . . . . 89 THR N . 25327 1 539 . 1 1 72 72 PRO C C 13 177.613 0.009 . 1 . . . . 90 PRO C . 25327 1 540 . 1 1 72 72 PRO CA C 13 63.725 0.088 . 1 . . . . 90 PRO CA . 25327 1 541 . 1 1 72 72 PRO CB C 13 32.269 0 . 1 . . . . 90 PRO CB . 25327 1 542 . 1 1 72 72 PRO CG C 13 27.525 0 . 1 . . . . 90 PRO CG . 25327 1 543 . 1 1 72 72 PRO CD C 13 51.198 0 . 1 . . . . 90 PRO CD . 25327 1 544 . 1 1 73 73 GLY H H 1 8.566 0.005 . 1 . . . . 91 GLY H . 25327 1 545 . 1 1 73 73 GLY HA2 H 1 3.939 0.014 . 2 . . . . 91 GLY HA2 . 25327 1 546 . 1 1 73 73 GLY C C 13 174.846 0.001 . 1 . . . . 91 GLY C . 25327 1 547 . 1 1 73 73 GLY CA C 13 45.359 0.043 . 1 . . . . 91 GLY CA . 25327 1 548 . 1 1 73 73 GLY N N 15 109.934 0.028 . 1 . . . . 91 GLY N . 25327 1 549 . 1 1 74 74 GLY H H 1 8.323 0.006 . 1 . . . . 92 GLY H . 25327 1 550 . 1 1 74 74 GLY HA2 H 1 4.011 0.022 . 2 . . . . 92 GLY HA2 . 25327 1 551 . 1 1 74 74 GLY C C 13 174.494 0.026 . 1 . . . . 92 GLY C . 25327 1 552 . 1 1 74 74 GLY CA C 13 45.367 0.038 . 1 . . . . 92 GLY CA . 25327 1 553 . 1 1 74 74 GLY N N 15 109.069 0.065 . 1 . . . . 92 GLY N . 25327 1 554 . 1 1 75 75 SER H H 1 8.308 0.005 . 1 . . . . 93 SER H . 25327 1 555 . 1 1 75 75 SER HB2 H 1 3.849 0 . 2 . . . . 93 SER HB2 . 25327 1 556 . 1 1 75 75 SER HB3 H 1 3.849 0 . 2 . . . . 93 SER HB3 . 25327 1 557 . 1 1 75 75 SER C C 13 174.673 0 . 1 . . . . 93 SER C . 25327 1 558 . 1 1 75 75 SER CA C 13 58.507 0.016 . 1 . . . . 93 SER CA . 25327 1 559 . 1 1 75 75 SER CB C 13 63.871 0 . 1 . . . . 93 SER CB . 25327 1 560 . 1 1 75 75 SER N N 15 115.659 0.027 . 1 . . . . 93 SER N . 25327 1 561 . 1 1 76 76 GLU C C 13 177.068 0.027 . 1 . . . . 94 GLU C . 25327 1 562 . 1 1 76 76 GLU CA C 13 54.951 0.012 . 1 . . . . 94 GLU CA . 25327 1 563 . 1 1 76 76 GLU CB C 13 31.371 0 . 1 . . . . 94 GLU CB . 25327 1 564 . 1 1 76 76 GLU CG C 13 32.353 0 . 1 . . . . 94 GLU CG . 25327 1 565 . 1 1 77 77 LYS H H 1 8.341 0.005 . 1 . . . . 95 LYS H . 25327 1 566 . 1 1 77 77 LYS HA H 1 4.341 0 . 1 . . . . 95 LYS HA . 25327 1 567 . 1 1 77 77 LYS HB2 H 1 2.019 0 . 2 . . . . 95 LYS HB2 . 25327 1 568 . 1 1 77 77 LYS HB3 H 1 2.019 0 . 2 . . . . 95 LYS HB3 . 25327 1 569 . 1 1 77 77 LYS C C 13 175.597 0.01 . 1 . . . . 95 LYS C . 25327 1 570 . 1 1 77 77 LYS CA C 13 54.944 0.021 . 1 . . . . 95 LYS CA . 25327 1 571 . 1 1 77 77 LYS CB C 13 32.823 0 . 1 . . . . 95 LYS CB . 25327 1 572 . 1 1 77 77 LYS CG C 13 24.786 0 . 1 . . . . 95 LYS CG . 25327 1 573 . 1 1 77 77 LYS CD C 13 29.153 0 . 1 . . . . 95 LYS CD . 25327 1 574 . 1 1 77 77 LYS CE C 13 42.156 0 . 1 . . . . 95 LYS CE . 25327 1 575 . 1 1 77 77 LYS N N 15 120.521 0.03 . 1 . . . . 95 LYS N . 25327 1 576 . 1 1 78 78 ALA H H 1 8.299 0.008 . 1 . . . . 96 ALA H . 25327 1 577 . 1 1 78 78 ALA HA H 1 4.324 0 . 1 . . . . 96 ALA HA . 25327 1 578 . 1 1 78 78 ALA HB1 H 1 1.404 0.034 . 1 . . . . 96 ALA HB . 25327 1 579 . 1 1 78 78 ALA HB2 H 1 1.404 0.034 . 2 . . . . 96 ALA HB . 25327 1 580 . 1 1 78 78 ALA HB3 H 1 1.404 0.034 . 2 . . . . 96 ALA HB . 25327 1 581 . 1 1 78 78 ALA C C 13 178.291 0.04 . 1 . . . . 96 ALA C . 25327 1 582 . 1 1 78 78 ALA CA C 13 52.696 0.031 . 1 . . . . 96 ALA CA . 25327 1 583 . 1 1 78 78 ALA CB C 13 19.22 0.091 . 1 . . . . 96 ALA CB . 25327 1 584 . 1 1 78 78 ALA N N 15 125.265 0.086 . 1 . . . . 96 ALA N . 25327 1 585 . 1 1 79 79 GLY H H 1 8.415 0.005 . 1 . . . . 97 GLY H . 25327 1 586 . 1 1 79 79 GLY HA2 H 1 4.012 0.062 . 2 . . . . 97 GLY HA2 . 25327 1 587 . 1 1 79 79 GLY C C 13 174.583 0.039 . 1 . . . . 97 GLY C . 25327 1 588 . 1 1 79 79 GLY CA C 13 45.391 0.04 . 1 . . . . 97 GLY CA . 25327 1 589 . 1 1 79 79 GLY N N 15 108.433 0.02 . 1 . . . . 97 GLY N . 25327 1 590 . 1 1 80 80 THR H H 1 8.107 0.004 . 1 . . . . 98 THR H . 25327 1 591 . 1 1 80 80 THR HA H 1 4.365 0 . 1 . . . . 98 THR HA . 25327 1 592 . 1 1 80 80 THR HG21 H 1 1.207 0 . 2 . . . . 98 THR HG2 . 25327 1 593 . 1 1 80 80 THR HG22 H 1 1.207 0 . 2 . . . . 98 THR HG2 . 25327 1 594 . 1 1 80 80 THR HG23 H 1 1.207 0 . 2 . . . . 98 THR HG2 . 25327 1 595 . 1 1 80 80 THR C C 13 175.434 0.018 . 1 . . . . 98 THR C . 25327 1 596 . 1 1 80 80 THR CA C 13 62.04 0.096 . 1 . . . . 98 THR CA . 25327 1 597 . 1 1 80 80 THR CB C 13 69.858 0.067 . 1 . . . . 98 THR CB . 25327 1 598 . 1 1 80 80 THR CG2 C 13 21.569 0 . 1 . . . . 98 THR CG2 . 25327 1 599 . 1 1 80 80 THR N N 15 112.744 0.032 . 1 . . . . 98 THR N . 25327 1 600 . 1 1 81 81 GLY H H 1 8.52 0.004 . 1 . . . . 99 GLY H . 25327 1 601 . 1 1 81 81 GLY HA2 H 1 3.994 0.037 . 2 . . . . 99 GLY HA2 . 25327 1 602 . 1 1 81 81 GLY C C 13 173.894 0.042 . 1 . . . . 99 GLY C . 25327 1 603 . 1 1 81 81 GLY CA C 13 45.394 0.022 . 1 . . . . 99 GLY CA . 25327 1 604 . 1 1 81 81 GLY N N 15 111.396 0.026 . 1 . . . . 99 GLY N . 25327 1 605 . 1 1 82 82 ARG H H 1 8.157 0.005 . 1 . . . . 100 ARG H . 25327 1 606 . 1 1 82 82 ARG HA H 1 4.324 0 . 1 . . . . 100 ARG HA . 25327 1 607 . 1 1 82 82 ARG HG2 H 1 1.662 0 . 2 . . . . 100 ARG HG2 . 25327 1 608 . 1 1 82 82 ARG HG3 H 1 1.662 0 . 2 . . . . 100 ARG HG3 . 25327 1 609 . 1 1 82 82 ARG HD2 H 1 3.243 0 . 2 . . . . 100 ARG HD2 . 25327 1 610 . 1 1 82 82 ARG HD3 H 1 3.243 0 . 2 . . . . 100 ARG HD3 . 25327 1 611 . 1 1 82 82 ARG C C 13 175.506 0.029 . 1 . . . . 100 ARG C . 25327 1 612 . 1 1 82 82 ARG CA C 13 56.064 0.097 . 1 . . . . 100 ARG CA . 25327 1 613 . 1 1 82 82 ARG CB C 13 31.002 0.047 . 1 . . . . 100 ARG CB . 25327 1 614 . 1 1 82 82 ARG CD C 13 43.349 0 . 1 . . . . 100 ARG CD . 25327 1 615 . 1 1 82 82 ARG N N 15 120.972 0.043 . 1 . . . . 100 ARG N . 25327 1 616 . 1 1 83 83 GLN H H 1 8.083 0.005 . 1 . . . . 101 GLN H . 25327 1 617 . 1 1 83 83 GLN HA H 1 4.158 0 . 1 . . . . 101 GLN HA . 25327 1 618 . 1 1 83 83 GLN HB2 H 1 2.013 0 . 2 . . . . 101 GLN HB2 . 25327 1 619 . 1 1 83 83 GLN HB3 H 1 2.013 0 . 2 . . . . 101 GLN HB3 . 25327 1 620 . 1 1 83 83 GLN HG2 H 1 2.295 0 . 2 . . . . 101 GLN HG2 . 25327 1 621 . 1 1 83 83 GLN HG3 H 1 2.295 0 . 2 . . . . 101 GLN HG3 . 25327 1 622 . 1 1 83 83 GLN HE21 H 1 7.495 0.012 . 2 . . . . 101 GLN HE21 . 25327 1 623 . 1 1 83 83 GLN HE22 H 1 6.81 0.005 . 2 . . . . 101 GLN HE22 . 25327 1 624 . 1 1 83 83 GLN C C 13 180.551 0 . 1 . . . . 101 GLN C . 25327 1 625 . 1 1 83 83 GLN CA C 13 57.399 0.045 . 1 . . . . 101 GLN CA . 25327 1 626 . 1 1 83 83 GLN CB C 13 30.566 0 . 1 . . . . 101 GLN CB . 25327 1 627 . 1 1 83 83 GLN N N 15 126.869 0.023 . 1 . . . . 101 GLN N . 25327 1 628 . 1 1 83 83 GLN NE2 N 15 112.48 0.05 . 1 . . . . 101 GLN NE2 . 25327 1 stop_ save_