data_34089 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34089 _Entry.Title ; Sigma1.1 domain of sigmaA from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-20 _Entry.Accession_date 2017-01-20 _Entry.Last_release_date 2017-01-23 _Entry.Original_release_date 2017-01-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 M. Zachrdla M. . . . 34089 2 P. Padrta P. . . . 34089 3 A. Rabatinova A. . . . 34089 4 H. Sanderova H. . . . 34089 5 I. Barvik I. . . . 34089 6 L. Krasny L. . . . 34089 7 L. Zidek L. . . . 34089 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID autoinhibitor . 34089 transferase . 34089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 34089 '15N chemical shifts' 79 34089 '1H chemical shifts' 504 34089 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 . . 2019-08-26 2017-01-20 update BMRB 'update entry citation' 34089 1 . . 2017-06-08 2017-01-20 original author 'original release' 34089 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27011 'Relaxation data of Sigma1.1 domain of sigmaA' 34089 PDB 5MWW 'BMRB Entry Tracking System' 34089 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34089 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28539362 _Citation.Full_citation . _Citation.Title ; Solution structure of domain 1.1 of the sigmaA factor from Bacillus subtilis is preformed for binding to the RNA polymerase core ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 292 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _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 11610 _Citation.Page_last 11617 _Citation.Year 2017 _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 M. Zachrdla M. . . . 34089 1 2 P. Padrta P. . . . 34089 1 3 A. Rabatinova A. . . . 34089 1 4 H. Sanderova H. . . . 34089 1 5 I. Barvik I. . . . 34089 1 6 L. Krasny L. . . . 34089 1 7 L. Zidek L. . . . 34089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34089 _Assembly.ID 1 _Assembly.Name 'RNA polymerase sigma factor SigA' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 entity_1 1 $entity_1 A A yes . . . . . . 34089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADKQTHETELTFDQVKEQLT ESGKKRGVLTYEEIAERMSS FEIESDQMDEYYEFLGEQGV ELISENEETEDLEHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8977.562 _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 . ALA . 34089 1 2 . ASP . 34089 1 3 . LYS . 34089 1 4 . GLN . 34089 1 5 . THR . 34089 1 6 . HIS . 34089 1 7 . GLU . 34089 1 8 . THR . 34089 1 9 . GLU . 34089 1 10 . LEU . 34089 1 11 . THR . 34089 1 12 . PHE . 34089 1 13 . ASP . 34089 1 14 . GLN . 34089 1 15 . VAL . 34089 1 16 . LYS . 34089 1 17 . GLU . 34089 1 18 . GLN . 34089 1 19 . LEU . 34089 1 20 . THR . 34089 1 21 . GLU . 34089 1 22 . SER . 34089 1 23 . GLY . 34089 1 24 . LYS . 34089 1 25 . LYS . 34089 1 26 . ARG . 34089 1 27 . GLY . 34089 1 28 . VAL . 34089 1 29 . LEU . 34089 1 30 . THR . 34089 1 31 . TYR . 34089 1 32 . GLU . 34089 1 33 . GLU . 34089 1 34 . ILE . 34089 1 35 . ALA . 34089 1 36 . GLU . 34089 1 37 . ARG . 34089 1 38 . MET . 34089 1 39 . SER . 34089 1 40 . SER . 34089 1 41 . PHE . 34089 1 42 . GLU . 34089 1 43 . ILE . 34089 1 44 . GLU . 34089 1 45 . SER . 34089 1 46 . ASP . 34089 1 47 . GLN . 34089 1 48 . MET . 34089 1 49 . ASP . 34089 1 50 . GLU . 34089 1 51 . TYR . 34089 1 52 . TYR . 34089 1 53 . GLU . 34089 1 54 . PHE . 34089 1 55 . LEU . 34089 1 56 . GLY . 34089 1 57 . GLU . 34089 1 58 . GLN . 34089 1 59 . GLY . 34089 1 60 . VAL . 34089 1 61 . GLU . 34089 1 62 . LEU . 34089 1 63 . ILE . 34089 1 64 . SER . 34089 1 65 . GLU . 34089 1 66 . ASN . 34089 1 67 . GLU . 34089 1 68 . GLU . 34089 1 69 . THR . 34089 1 70 . GLU . 34089 1 71 . ASP . 34089 1 72 . LEU . 34089 1 73 . GLU . 34089 1 74 . HIS . 34089 1 75 . HIS . 34089 1 76 . HIS . 34089 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 . ALA 1 1 34089 1 . ASP 2 2 34089 1 . LYS 3 3 34089 1 . GLN 4 4 34089 1 . THR 5 5 34089 1 . HIS 6 6 34089 1 . GLU 7 7 34089 1 . THR 8 8 34089 1 . GLU 9 9 34089 1 . LEU 10 10 34089 1 . THR 11 11 34089 1 . PHE 12 12 34089 1 . ASP 13 13 34089 1 . GLN 14 14 34089 1 . VAL 15 15 34089 1 . LYS 16 16 34089 1 . GLU 17 17 34089 1 . GLN 18 18 34089 1 . LEU 19 19 34089 1 . THR 20 20 34089 1 . GLU 21 21 34089 1 . SER 22 22 34089 1 . GLY 23 23 34089 1 . LYS 24 24 34089 1 . LYS 25 25 34089 1 . ARG 26 26 34089 1 . GLY 27 27 34089 1 . VAL 28 28 34089 1 . LEU 29 29 34089 1 . THR 30 30 34089 1 . TYR 31 31 34089 1 . GLU 32 32 34089 1 . GLU 33 33 34089 1 . ILE 34 34 34089 1 . ALA 35 35 34089 1 . GLU 36 36 34089 1 . ARG 37 37 34089 1 . MET 38 38 34089 1 . SER 39 39 34089 1 . SER 40 40 34089 1 . PHE 41 41 34089 1 . GLU 42 42 34089 1 . ILE 43 43 34089 1 . GLU 44 44 34089 1 . SER 45 45 34089 1 . ASP 46 46 34089 1 . GLN 47 47 34089 1 . MET 48 48 34089 1 . ASP 49 49 34089 1 . GLU 50 50 34089 1 . TYR 51 51 34089 1 . TYR 52 52 34089 1 . GLU 53 53 34089 1 . PHE 54 54 34089 1 . LEU 55 55 34089 1 . GLY 56 56 34089 1 . GLU 57 57 34089 1 . GLN 58 58 34089 1 . GLY 59 59 34089 1 . VAL 60 60 34089 1 . GLU 61 61 34089 1 . LEU 62 62 34089 1 . ILE 63 63 34089 1 . SER 64 64 34089 1 . GLU 65 65 34089 1 . ASN 66 66 34089 1 . GLU 67 67 34089 1 . GLU 68 68 34089 1 . THR 69 69 34089 1 . GLU 70 70 34089 1 . ASP 71 71 34089 1 . LEU 72 72 34089 1 . GLU 73 73 34089 1 . HIS 74 74 34089 1 . HIS 75 75 34089 1 . HIS 76 76 34089 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 34089 _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 $entity_1 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . ; sigA, A9D36_07220, AX282_18545, B4122_2417, B4122_4198, B4417_0909, BN2127_JRS11_00670, BN2127_JRS2_00704, BN2127_JRS6_02831, BN2127_JRS7_03838, BN2127_JRS9_03270, BS16045_02670 ; 34089 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 34089 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34089 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34089 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-15N] sigma1.1, 10 mM NA- sodium chloride, 20 mM NA- sodium phosphate, 6 mM NA- sodium azide, 90% H2O/10% D2O' _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 sigma1.1 [U-15N] . . 1 $entity_1 . . 0.6 . . mM . . . . 34089 1 2 'sodium azide' 'natural abundance' . . . . . . 6 . . mM . . . . 34089 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34089 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34089 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34089 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-13C; U-15N] sigma1.1, 10 mM NA- sodium chloride, 20 mM NA- sodium phosphate, 6 mM NA- sodium azide, 90% H2O/10% D2O' _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 sigma1.1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34089 2 2 'sodium azide' 'natural abundance' . . . . . . 6 . . mM . . . . 34089 2 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34089 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34089 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34089 _Sample.ID 3 _Sample.Name . _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-13C; U-15N] sigma1.1, 10 mM NA- sodium chloride, 20 mM NA- sodium phosphate, 6 mM NA- sodium azide, 5 % NA- polyacrylamide gel, 90% H2O/10% D2O ; _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 'polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % . . . . 34089 3 2 sigma1.1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 34089 3 3 'sodium azide' 'natural abundance' . . . . . . 6 . . mM . . . . 34089 3 4 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 34089 3 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34089 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34089 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 . mM 34089 1 pH 6.6 . pH 34089 1 pressure 1 . atm 34089 1 temperature 298.2 . K 34089 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34089 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34089 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34089 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34089 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34089 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34089 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34089 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34089 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34089 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34089 _Software.ID 4 _Software.Type . _Software.Name S3EPY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Novak et al.' . . 34089 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34089 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34089 _Software.ID 5 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34089 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34089 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34089 _Software.ID 6 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34089 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34089 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34089 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34089 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34089 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 34089 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 34089 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 34089 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 6 13Cali-NOESY-HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 7 15N-NOESY-HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 8 '3D TOCSY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 10 '1D 1H' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 11 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 12 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34089 1 13 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 14 13Caro-NOESY-HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 16 '3D (H)CC(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 17 '3D H(CC)(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 18 '1H, 15N-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 19 '13C-detected (H)CACO-IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 20 HN[C]-S3E no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 21 '1H, 15N-IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 22 '13C-detected (H)CACO-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 23 HN[C]-S3E no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34089 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34089 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 external indirect 0.251449530 . . . . . 34089 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 34089 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 34089 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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' . . . 34089 1 2 '2D 1H-13C HSQC' . . . 34089 1 3 '3D CBCA(CO)NH' . . . 34089 1 4 '3D HNCACB' . . . 34089 1 5 '3D HN(CO)CA' . . . 34089 1 6 13Cali-NOESY-HSQC . . . 34089 1 7 15N-NOESY-HSQC . . . 34089 1 8 '3D TOCSY-HSQC' . . . 34089 1 9 '3D HCCH-TOCSY' . . . 34089 1 10 '1D 1H' . . . 34089 1 11 '3D HNCO' . . . 34089 1 12 '3D HNCA' . . . 34089 1 13 '3D HNHA' . . . 34089 1 14 13Caro-NOESY-HSQC . . . 34089 1 15 '2D 1H-15N HSQC' . . . 34089 1 16 '3D (H)CC(CO)NH' . . . 34089 1 17 '3D H(CC)(CO)NH' . . . 34089 1 18 '1H, 15N-IPAP' . . . 34089 1 19 '13C-detected (H)CACO-IPAP' . . . 34089 1 20 HN[C]-S3E . . . 34089 1 21 '1H, 15N-IPAP' . . . 34089 1 22 '13C-detected (H)CACO-IPAP' . . . 34089 1 23 HN[C]-S3E . . . 34089 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.Ambiguity_set_ID _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 ASP HA H 1 4.645 0.000 . 1 . . . . A 2 ASP HA . 34089 1 2 . 1 1 2 2 ASP HB2 H 1 2.716 0.000 . 2 . . . . A 2 ASP HB2 . 34089 1 3 . 1 1 2 2 ASP HB3 H 1 2.583 0.000 . 2 . . . . A 2 ASP HB3 . 34089 1 4 . 1 1 2 2 ASP C C 13 175.881 0.000 . 1 . . . . A 2 ASP C . 34089 1 5 . 1 1 2 2 ASP CA C 13 54.475 0.000 . 1 . . . . A 2 ASP CA . 34089 1 6 . 1 1 2 2 ASP CB C 13 41.313 0.075 . 1 . . . . A 2 ASP CB . 34089 1 7 . 1 1 3 3 LYS H H 1 8.439 0.005 . 1 . . . . A 3 LYS H . 34089 1 8 . 1 1 3 3 LYS HA H 1 4.289 0.002 . 1 . . . . A 3 LYS HA . 34089 1 9 . 1 1 3 3 LYS HB2 H 1 1.822 0.000 . 2 . . . . A 3 LYS HB2 . 34089 1 10 . 1 1 3 3 LYS HB3 H 1 1.747 0.000 . 2 . . . . A 3 LYS HB3 . 34089 1 11 . 1 1 3 3 LYS HG2 H 1 1.438 0.001 . 2 . . . . A 3 LYS HG2 . 34089 1 12 . 1 1 3 3 LYS HG3 H 1 1.397 0.003 . 2 . . . . A 3 LYS HG3 . 34089 1 13 . 1 1 3 3 LYS HD2 H 1 1.633 0.005 . 1 . . . . A 3 LYS HD2 . 34089 1 14 . 1 1 3 3 LYS HD3 H 1 1.633 0.005 . 1 . . . . A 3 LYS HD3 . 34089 1 15 . 1 1 3 3 LYS HE2 H 1 3.005 0.000 . 1 . . . . A 3 LYS HE2 . 34089 1 16 . 1 1 3 3 LYS HE3 H 1 3.005 0.000 . 1 . . . . A 3 LYS HE3 . 34089 1 17 . 1 1 3 3 LYS C C 13 176.339 0.000 . 1 . . . . A 3 LYS C . 34089 1 18 . 1 1 3 3 LYS CA C 13 56.529 0.000 . 1 . . . . A 3 LYS CA . 34089 1 19 . 1 1 3 3 LYS CB C 13 33.036 0.027 . 1 . . . . A 3 LYS CB . 34089 1 20 . 1 1 3 3 LYS CG C 13 24.703 0.019 . 1 . . . . A 3 LYS CG . 34089 1 21 . 1 1 3 3 LYS CD C 13 29.500 0.000 . 1 . . . . A 3 LYS CD . 34089 1 22 . 1 1 3 3 LYS CE C 13 41.690 0.000 . 1 . . . . A 3 LYS CE . 34089 1 23 . 1 1 3 3 LYS N N 15 121.819 0.078 . 1 . . . . A 3 LYS N . 34089 1 24 . 1 1 4 4 GLN H H 1 8.538 0.013 . 1 . . . . A 4 GLN H . 34089 1 25 . 1 1 4 4 GLN HA H 1 4.365 0.006 . 1 . . . . A 4 GLN HA . 34089 1 26 . 1 1 4 4 GLN HB2 H 1 2.076 0.004 . 2 . . . . A 4 GLN HB2 . 34089 1 27 . 1 1 4 4 GLN HB3 H 1 1.964 0.000 . 2 . . . . A 4 GLN HB3 . 34089 1 28 . 1 1 4 4 GLN HG2 H 1 2.340 0.004 . 1 . . . . A 4 GLN HG2 . 34089 1 29 . 1 1 4 4 GLN HG3 H 1 2.340 0.004 . 1 . . . . A 4 GLN HG3 . 34089 1 30 . 1 1 4 4 GLN HE21 H 1 7.582 0.009 . 2 . . . . A 4 GLN HE21 . 34089 1 31 . 1 1 4 4 GLN HE22 H 1 6.872 0.009 . 2 . . . . A 4 GLN HE22 . 34089 1 32 . 1 1 4 4 GLN C C 13 176.023 0.000 . 1 . . . . A 4 GLN C . 34089 1 33 . 1 1 4 4 GLN CA C 13 55.885 0.000 . 1 . . . . A 4 GLN CA . 34089 1 34 . 1 1 4 4 GLN CB C 13 29.500 0.000 . 1 . . . . A 4 GLN CB . 34089 1 35 . 1 1 4 4 GLN CG C 13 33.913 0.022 . 1 . . . . A 4 GLN CG . 34089 1 36 . 1 1 4 4 GLN CD C 13 180.382 0.010 . 1 . . . . A 4 GLN CD . 34089 1 37 . 1 1 4 4 GLN N N 15 121.738 0.055 . 1 . . . . A 4 GLN N . 34089 1 38 . 1 1 4 4 GLN NE2 N 15 112.500 0.258 . 1 . . . . A 4 GLN NE2 . 34089 1 39 . 1 1 5 5 THR H H 1 8.202 0.009 . 1 . . . . A 5 THR H . 34089 1 40 . 1 1 5 5 THR HA H 1 4.286 0.001 . 1 . . . . A 5 THR HA . 34089 1 41 . 1 1 5 5 THR HB H 1 4.181 0.006 . 1 . . . . A 5 THR HB . 34089 1 42 . 1 1 5 5 THR HG21 H 1 1.151 0.003 . 1 . . . . A 5 THR HG21 . 34089 1 43 . 1 1 5 5 THR HG22 H 1 1.151 0.003 . 1 . . . . A 5 THR HG22 . 34089 1 44 . 1 1 5 5 THR HG23 H 1 1.151 0.003 . 1 . . . . A 5 THR HG23 . 34089 1 45 . 1 1 5 5 THR C C 13 174.136 0.000 . 1 . . . . A 5 THR C . 34089 1 46 . 1 1 5 5 THR CA C 13 61.971 0.000 . 1 . . . . A 5 THR CA . 34089 1 47 . 1 1 5 5 THR CB C 13 69.773 0.000 . 1 . . . . A 5 THR CB . 34089 1 48 . 1 1 5 5 THR CG2 C 13 21.658 0.000 . 1 . . . . A 5 THR CG2 . 34089 1 49 . 1 1 5 5 THR N N 15 115.330 0.010 . 1 . . . . A 5 THR N . 34089 1 50 . 1 1 6 6 HIS H H 1 8.488 0.008 . 1 . . . . A 6 HIS H . 34089 1 51 . 1 1 6 6 HIS HA H 1 4.724 0.001 . 1 . . . . A 6 HIS HA . 34089 1 52 . 1 1 6 6 HIS HB2 H 1 3.227 0.006 . 2 . . . . A 6 HIS HB2 . 34089 1 53 . 1 1 6 6 HIS HB3 H 1 3.114 0.001 . 2 . . . . A 6 HIS HB3 . 34089 1 54 . 1 1 6 6 HIS C C 13 174.687 0.000 . 1 . . . . A 6 HIS C . 34089 1 55 . 1 1 6 6 HIS CA C 13 55.496 0.005 . 1 . . . . A 6 HIS CA . 34089 1 56 . 1 1 6 6 HIS CB C 13 30.000 0.000 . 1 . . . . A 6 HIS CB . 34089 1 57 . 1 1 6 6 HIS N N 15 120.793 0.032 . 1 . . . . A 6 HIS N . 34089 1 58 . 1 1 7 7 GLU H H 1 8.547 0.006 . 1 . . . . A 7 GLU H . 34089 1 59 . 1 1 7 7 GLU HA H 1 4.312 0.001 . 1 . . . . A 7 GLU HA . 34089 1 60 . 1 1 7 7 GLU HB2 H 1 1.942 0.004 . 1 . . . . A 7 GLU HB2 . 34089 1 61 . 1 1 7 7 GLU HB3 H 1 1.942 0.004 . 1 . . . . A 7 GLU HB3 . 34089 1 62 . 1 1 7 7 GLU HG2 H 1 2.231 0.000 . 1 . . . . A 7 GLU HG2 . 34089 1 63 . 1 1 7 7 GLU HG3 H 1 2.231 0.000 . 1 . . . . A 7 GLU HG3 . 34089 1 64 . 1 1 7 7 GLU C C 13 176.401 0.000 . 1 . . . . A 7 GLU C . 34089 1 65 . 1 1 7 7 GLU CA C 13 56.975 0.000 . 1 . . . . A 7 GLU CA . 34089 1 66 . 1 1 7 7 GLU CB C 13 29.850 0.000 . 1 . . . . A 7 GLU CB . 34089 1 67 . 1 1 7 7 GLU CG C 13 36.300 0.000 . 1 . . . . A 7 GLU CG . 34089 1 68 . 1 1 7 7 GLU N N 15 122.509 0.044 . 1 . . . . A 7 GLU N . 34089 1 69 . 1 1 8 8 THR H H 1 8.202 0.011 . 1 . . . . A 8 THR H . 34089 1 70 . 1 1 8 8 THR HA H 1 4.339 0.001 . 1 . . . . A 8 THR HA . 34089 1 71 . 1 1 8 8 THR HB H 1 4.211 0.006 . 1 . . . . A 8 THR HB . 34089 1 72 . 1 1 8 8 THR HG21 H 1 1.192 0.003 . 1 . . . . A 8 THR HG21 . 34089 1 73 . 1 1 8 8 THR HG22 H 1 1.192 0.003 . 1 . . . . A 8 THR HG22 . 34089 1 74 . 1 1 8 8 THR HG23 H 1 1.192 0.003 . 1 . . . . A 8 THR HG23 . 34089 1 75 . 1 1 8 8 THR C C 13 174.110 0.000 . 1 . . . . A 8 THR C . 34089 1 76 . 1 1 8 8 THR CA C 13 61.896 0.062 . 1 . . . . A 8 THR CA . 34089 1 77 . 1 1 8 8 THR CB C 13 69.774 0.003 . 1 . . . . A 8 THR CB . 34089 1 78 . 1 1 8 8 THR CG2 C 13 21.584 0.016 . 1 . . . . A 8 THR CG2 . 34089 1 79 . 1 1 8 8 THR N N 15 115.134 0.126 . 1 . . . . A 8 THR N . 34089 1 80 . 1 1 9 9 GLU H H 1 8.452 0.009 . 1 . . . . A 9 GLU H . 34089 1 81 . 1 1 9 9 GLU HA H 1 4.345 0.006 . 1 . . . . A 9 GLU HA . 34089 1 82 . 1 1 9 9 GLU HB2 H 1 2.082 0.004 . 2 . . . . A 9 GLU HB2 . 34089 1 83 . 1 1 9 9 GLU HB3 H 1 1.963 0.009 . 2 . . . . A 9 GLU HB3 . 34089 1 84 . 1 1 9 9 GLU HG2 H 1 2.273 0.004 . 1 . . . . A 9 GLU HG2 . 34089 1 85 . 1 1 9 9 GLU HG3 H 1 2.273 0.004 . 1 . . . . A 9 GLU HG3 . 34089 1 86 . 1 1 9 9 GLU C C 13 176.005 0.000 . 1 . . . . A 9 GLU C . 34089 1 87 . 1 1 9 9 GLU CA C 13 56.475 0.000 . 1 . . . . A 9 GLU CA . 34089 1 88 . 1 1 9 9 GLU CB C 13 30.200 0.000 . 1 . . . . A 9 GLU CB . 34089 1 89 . 1 1 9 9 GLU CG C 13 36.000 0.000 . 1 . . . . A 9 GLU CG . 34089 1 90 . 1 1 9 9 GLU N N 15 124.093 0.082 . 1 . . . . A 9 GLU N . 34089 1 91 . 1 1 10 10 LEU H H 1 8.177 0.009 . 1 . . . . A 10 LEU H . 34089 1 92 . 1 1 10 10 LEU HA H 1 4.642 0.002 . 1 . . . . A 10 LEU HA . 34089 1 93 . 1 1 10 10 LEU HB2 H 1 1.710 0.002 . 2 . . . . A 10 LEU HB2 . 34089 1 94 . 1 1 10 10 LEU HB3 H 1 1.581 0.004 . 2 . . . . A 10 LEU HB3 . 34089 1 95 . 1 1 10 10 LEU HG H 1 1.701 0.006 . 1 . . . . A 10 LEU HG . 34089 1 96 . 1 1 10 10 LEU HD11 H 1 0.885 0.001 . 2 . . . . A 10 LEU HD11 . 34089 1 97 . 1 1 10 10 LEU HD12 H 1 0.885 0.001 . 2 . . . . A 10 LEU HD12 . 34089 1 98 . 1 1 10 10 LEU HD13 H 1 0.885 0.001 . 2 . . . . A 10 LEU HD13 . 34089 1 99 . 1 1 10 10 LEU HD21 H 1 0.824 0.004 . 2 . . . . A 10 LEU HD21 . 34089 1 100 . 1 1 10 10 LEU HD22 H 1 0.824 0.004 . 2 . . . . A 10 LEU HD22 . 34089 1 101 . 1 1 10 10 LEU HD23 H 1 0.824 0.004 . 2 . . . . A 10 LEU HD23 . 34089 1 102 . 1 1 10 10 LEU C C 13 177.693 0.000 . 1 . . . . A 10 LEU C . 34089 1 103 . 1 1 10 10 LEU CA C 13 54.773 0.043 . 1 . . . . A 10 LEU CA . 34089 1 104 . 1 1 10 10 LEU CB C 13 43.720 0.041 . 1 . . . . A 10 LEU CB . 34089 1 105 . 1 1 10 10 LEU CG C 13 27.259 0.020 . 1 . . . . A 10 LEU CG . 34089 1 106 . 1 1 10 10 LEU CD1 C 13 25.599 0.046 . 2 . . . . A 10 LEU CD1 . 34089 1 107 . 1 1 10 10 LEU CD2 C 13 23.330 0.060 . 2 . . . . A 10 LEU CD2 . 34089 1 108 . 1 1 10 10 LEU N N 15 123.394 0.085 . 1 . . . . A 10 LEU N . 34089 1 109 . 1 1 11 11 THR H H 1 8.451 0.006 . 1 . . . . A 11 THR H . 34089 1 110 . 1 1 11 11 THR HA H 1 4.567 0.002 . 1 . . . . A 11 THR HA . 34089 1 111 . 1 1 11 11 THR HB H 1 4.672 0.003 . 1 . . . . A 11 THR HB . 34089 1 112 . 1 1 11 11 THR HG21 H 1 1.314 0.001 . 1 . . . . A 11 THR HG21 . 34089 1 113 . 1 1 11 11 THR HG22 H 1 1.314 0.001 . 1 . . . . A 11 THR HG22 . 34089 1 114 . 1 1 11 11 THR HG23 H 1 1.314 0.001 . 1 . . . . A 11 THR HG23 . 34089 1 115 . 1 1 11 11 THR C C 13 174.706 0.000 . 1 . . . . A 11 THR C . 34089 1 116 . 1 1 11 11 THR CA C 13 60.373 0.041 . 1 . . . . A 11 THR CA . 34089 1 117 . 1 1 11 11 THR CB C 13 71.474 0.050 . 1 . . . . A 11 THR CB . 34089 1 118 . 1 1 11 11 THR CG2 C 13 21.855 0.037 . 1 . . . . A 11 THR CG2 . 34089 1 119 . 1 1 11 11 THR N N 15 112.554 0.038 . 1 . . . . A 11 THR N . 34089 1 120 . 1 1 12 12 PHE H H 1 8.752 0.009 . 1 . . . . A 12 PHE H . 34089 1 121 . 1 1 12 12 PHE HA H 1 3.255 0.004 . 1 . . . . A 12 PHE HA . 34089 1 122 . 1 1 12 12 PHE HB2 H 1 2.574 0.004 . 2 . . . . A 12 PHE HB2 . 34089 1 123 . 1 1 12 12 PHE HB3 H 1 2.433 0.008 . 2 . . . . A 12 PHE HB3 . 34089 1 124 . 1 1 12 12 PHE HD1 H 1 6.712 0.004 . 3 . . . . A 12 PHE HD1 . 34089 1 125 . 1 1 12 12 PHE HD2 H 1 6.712 0.004 . 3 . . . . A 12 PHE HD2 . 34089 1 126 . 1 1 12 12 PHE HE1 H 1 7.102 0.004 . 3 . . . . A 12 PHE HE1 . 34089 1 127 . 1 1 12 12 PHE HE2 H 1 7.102 0.004 . 3 . . . . A 12 PHE HE2 . 34089 1 128 . 1 1 12 12 PHE HZ H 1 6.858 0.004 . 1 . . . . A 12 PHE HZ . 34089 1 129 . 1 1 12 12 PHE C C 13 176.320 0.000 . 1 . . . . A 12 PHE C . 34089 1 130 . 1 1 12 12 PHE CA C 13 60.343 0.052 . 1 . . . . A 12 PHE CA . 34089 1 131 . 1 1 12 12 PHE CB C 13 38.836 0.113 . 1 . . . . A 12 PHE CB . 34089 1 132 . 1 1 12 12 PHE CD1 C 13 131.799 0.048 . 3 . . . . A 12 PHE CD1 . 34089 1 133 . 1 1 12 12 PHE CD2 C 13 131.799 0.048 . 3 . . . . A 12 PHE CD2 . 34089 1 134 . 1 1 12 12 PHE CE1 C 13 131.035 0.100 . 3 . . . . A 12 PHE CE1 . 34089 1 135 . 1 1 12 12 PHE CE2 C 13 131.035 0.100 . 3 . . . . A 12 PHE CE2 . 34089 1 136 . 1 1 12 12 PHE CZ C 13 129.058 0.059 . 1 . . . . A 12 PHE CZ . 34089 1 137 . 1 1 12 12 PHE N N 15 122.544 0.023 . 1 . . . . A 12 PHE N . 34089 1 138 . 1 1 13 13 ASP H H 1 8.102 0.009 . 1 . . . . A 13 ASP H . 34089 1 139 . 1 1 13 13 ASP HA H 1 3.807 0.003 . 1 . . . . A 13 ASP HA . 34089 1 140 . 1 1 13 13 ASP HB2 H 1 2.463 0.008 . 2 . . . . A 13 ASP HB2 . 34089 1 141 . 1 1 13 13 ASP HB3 H 1 2.370 0.003 . 2 . . . . A 13 ASP HB3 . 34089 1 142 . 1 1 13 13 ASP C C 13 178.795 0.000 . 1 . . . . A 13 ASP C . 34089 1 143 . 1 1 13 13 ASP CA C 13 57.511 0.062 . 1 . . . . A 13 ASP CA . 34089 1 144 . 1 1 13 13 ASP CB C 13 40.452 0.046 . 1 . . . . A 13 ASP CB . 34089 1 145 . 1 1 13 13 ASP N N 15 115.959 0.024 . 1 . . . . A 13 ASP N . 34089 1 146 . 1 1 14 14 GLN H H 1 7.550 0.007 . 1 . . . . A 14 GLN H . 34089 1 147 . 1 1 14 14 GLN HA H 1 4.027 0.005 . 1 . . . . A 14 GLN HA . 34089 1 148 . 1 1 14 14 GLN HB2 H 1 2.373 0.002 . 1 . . . . A 14 GLN HB2 . 34089 1 149 . 1 1 14 14 GLN HB3 H 1 2.373 0.002 . 1 . . . . A 14 GLN HB3 . 34089 1 150 . 1 1 14 14 GLN HG2 H 1 2.398 0.000 . 2 . . . . A 14 GLN HG2 . 34089 1 151 . 1 1 14 14 GLN HG3 H 1 2.377 0.002 . 2 . . . . A 14 GLN HG3 . 34089 1 152 . 1 1 14 14 GLN HE21 H 1 7.511 0.009 . 2 . . . . A 14 GLN HE21 . 34089 1 153 . 1 1 14 14 GLN HE22 H 1 6.738 0.010 . 2 . . . . A 14 GLN HE22 . 34089 1 154 . 1 1 14 14 GLN C C 13 178.978 0.000 . 1 . . . . A 14 GLN C . 34089 1 155 . 1 1 14 14 GLN CA C 13 58.809 0.008 . 1 . . . . A 14 GLN CA . 34089 1 156 . 1 1 14 14 GLN CB C 13 29.460 0.041 . 1 . . . . A 14 GLN CB . 34089 1 157 . 1 1 14 14 GLN CG C 13 34.813 0.053 . 1 . . . . A 14 GLN CG . 34089 1 158 . 1 1 14 14 GLN CD C 13 179.858 0.012 . 1 . . . . A 14 GLN CD . 34089 1 159 . 1 1 14 14 GLN N N 15 119.382 0.031 . 1 . . . . A 14 GLN N . 34089 1 160 . 1 1 14 14 GLN NE2 N 15 110.773 0.186 . 1 . . . . A 14 GLN NE2 . 34089 1 161 . 1 1 15 15 VAL H H 1 8.294 0.006 . 1 . . . . A 15 VAL H . 34089 1 162 . 1 1 15 15 VAL HA H 1 3.545 0.002 . 1 . . . . A 15 VAL HA . 34089 1 163 . 1 1 15 15 VAL HB H 1 1.976 0.003 . 1 . . . . A 15 VAL HB . 34089 1 164 . 1 1 15 15 VAL HG11 H 1 1.208 0.003 . 2 . . . . A 15 VAL HG11 . 34089 1 165 . 1 1 15 15 VAL HG12 H 1 1.208 0.003 . 2 . . . . A 15 VAL HG12 . 34089 1 166 . 1 1 15 15 VAL HG13 H 1 1.208 0.003 . 2 . . . . A 15 VAL HG13 . 34089 1 167 . 1 1 15 15 VAL HG21 H 1 0.945 0.002 . 2 . . . . A 15 VAL HG21 . 34089 1 168 . 1 1 15 15 VAL HG22 H 1 0.945 0.002 . 2 . . . . A 15 VAL HG22 . 34089 1 169 . 1 1 15 15 VAL HG23 H 1 0.945 0.002 . 2 . . . . A 15 VAL HG23 . 34089 1 170 . 1 1 15 15 VAL C C 13 177.973 0.000 . 1 . . . . A 15 VAL C . 34089 1 171 . 1 1 15 15 VAL CA C 13 67.149 0.016 . 1 . . . . A 15 VAL CA . 34089 1 172 . 1 1 15 15 VAL CB C 13 31.412 0.094 . 1 . . . . A 15 VAL CB . 34089 1 173 . 1 1 15 15 VAL CG1 C 13 24.523 0.038 . 2 . . . . A 15 VAL CG1 . 34089 1 174 . 1 1 15 15 VAL CG2 C 13 21.992 0.028 . 2 . . . . A 15 VAL CG2 . 34089 1 175 . 1 1 15 15 VAL N N 15 122.167 0.048 . 1 . . . . A 15 VAL N . 34089 1 176 . 1 1 16 16 LYS H H 1 8.062 0.007 . 1 . . . . A 16 LYS H . 34089 1 177 . 1 1 16 16 LYS HA H 1 3.508 0.007 . 1 . . . . A 16 LYS HA . 34089 1 178 . 1 1 16 16 LYS HB2 H 1 1.210 0.004 . 2 . . . . A 16 LYS HB2 . 34089 1 179 . 1 1 16 16 LYS HB3 H 1 1.166 0.007 . 2 . . . . A 16 LYS HB3 . 34089 1 180 . 1 1 16 16 LYS HG2 H 1 0.451 0.066 . 2 . . . . A 16 LYS HG2 . 34089 1 181 . 1 1 16 16 LYS HG3 H 1 0.175 0.003 . 2 . . . . A 16 LYS HG3 . 34089 1 182 . 1 1 16 16 LYS HD2 H 1 0.834 0.006 . 1 . . . . A 16 LYS HD2 . 34089 1 183 . 1 1 16 16 LYS HD3 H 1 0.834 0.006 . 1 . . . . A 16 LYS HD3 . 34089 1 184 . 1 1 16 16 LYS HE2 H 1 2.197 0.004 . 2 . . . . A 16 LYS HE2 . 34089 1 185 . 1 1 16 16 LYS HE3 H 1 1.730 0.010 . 2 . . . . A 16 LYS HE3 . 34089 1 186 . 1 1 16 16 LYS C C 13 178.422 0.000 . 1 . . . . A 16 LYS C . 34089 1 187 . 1 1 16 16 LYS CA C 13 60.504 0.040 . 1 . . . . A 16 LYS CA . 34089 1 188 . 1 1 16 16 LYS CB C 13 31.808 0.075 . 1 . . . . A 16 LYS CB . 34089 1 189 . 1 1 16 16 LYS CG C 13 25.246 0.023 . 1 . . . . A 16 LYS CG . 34089 1 190 . 1 1 16 16 LYS CD C 13 29.550 0.021 . 1 . . . . A 16 LYS CD . 34089 1 191 . 1 1 16 16 LYS CE C 13 41.000 0.049 . 1 . . . . A 16 LYS CE . 34089 1 192 . 1 1 16 16 LYS N N 15 119.185 0.048 . 1 . . . . A 16 LYS N . 34089 1 193 . 1 1 17 17 GLU H H 1 7.737 0.007 . 1 . . . . A 17 GLU H . 34089 1 194 . 1 1 17 17 GLU HA H 1 4.043 0.004 . 1 . . . . A 17 GLU HA . 34089 1 195 . 1 1 17 17 GLU HB2 H 1 2.105 0.004 . 1 . . . . A 17 GLU HB2 . 34089 1 196 . 1 1 17 17 GLU HB3 H 1 2.105 0.004 . 1 . . . . A 17 GLU HB3 . 34089 1 197 . 1 1 17 17 GLU HG2 H 1 2.369 0.002 . 1 . . . . A 17 GLU HG2 . 34089 1 198 . 1 1 17 17 GLU HG3 H 1 2.369 0.002 . 1 . . . . A 17 GLU HG3 . 34089 1 199 . 1 1 17 17 GLU C C 13 178.967 0.000 . 1 . . . . A 17 GLU C . 34089 1 200 . 1 1 17 17 GLU CA C 13 59.637 0.173 . 1 . . . . A 17 GLU CA . 34089 1 201 . 1 1 17 17 GLU CB C 13 29.390 0.046 . 1 . . . . A 17 GLU CB . 34089 1 202 . 1 1 17 17 GLU CG C 13 36.011 0.012 . 1 . . . . A 17 GLU CG . 34089 1 203 . 1 1 17 17 GLU N N 15 119.089 0.049 . 1 . . . . A 17 GLU N . 34089 1 204 . 1 1 18 18 GLN H H 1 7.905 0.006 . 1 . . . . A 18 GLN H . 34089 1 205 . 1 1 18 18 GLN HA H 1 4.090 0.002 . 1 . . . . A 18 GLN HA . 34089 1 206 . 1 1 18 18 GLN HB2 H 1 2.169 0.015 . 1 . . . . A 18 GLN HB2 . 34089 1 207 . 1 1 18 18 GLN HB3 H 1 2.169 0.015 . 1 . . . . A 18 GLN HB3 . 34089 1 208 . 1 1 18 18 GLN HG2 H 1 2.691 0.002 . 2 . . . . A 18 GLN HG2 . 34089 1 209 . 1 1 18 18 GLN HG3 H 1 2.399 0.005 . 2 . . . . A 18 GLN HG3 . 34089 1 210 . 1 1 18 18 GLN HE21 H 1 7.531 0.011 . 2 . . . . A 18 GLN HE21 . 34089 1 211 . 1 1 18 18 GLN HE22 H 1 6.645 0.014 . 2 . . . . A 18 GLN HE22 . 34089 1 212 . 1 1 18 18 GLN C C 13 179.764 0.000 . 1 . . . . A 18 GLN C . 34089 1 213 . 1 1 18 18 GLN CA C 13 59.302 0.083 . 1 . . . . A 18 GLN CA . 34089 1 214 . 1 1 18 18 GLN CB C 13 28.535 0.051 . 1 . . . . A 18 GLN CB . 34089 1 215 . 1 1 18 18 GLN CG C 13 34.102 0.056 . 1 . . . . A 18 GLN CG . 34089 1 216 . 1 1 18 18 GLN CD C 13 179.690 0.012 . 1 . . . . A 18 GLN CD . 34089 1 217 . 1 1 18 18 GLN N N 15 118.982 0.030 . 1 . . . . A 18 GLN N . 34089 1 218 . 1 1 18 18 GLN NE2 N 15 110.388 0.163 . 1 . . . . A 18 GLN NE2 . 34089 1 219 . 1 1 19 19 LEU H H 1 8.523 0.006 . 1 . . . . A 19 LEU H . 34089 1 220 . 1 1 19 19 LEU HA H 1 4.119 0.003 . 1 . . . . A 19 LEU HA . 34089 1 221 . 1 1 19 19 LEU HB2 H 1 2.181 0.006 . 2 . . . . A 19 LEU HB2 . 34089 1 222 . 1 1 19 19 LEU HB3 H 1 1.668 0.005 . 2 . . . . A 19 LEU HB3 . 34089 1 223 . 1 1 19 19 LEU HG H 1 1.791 0.009 . 1 . . . . A 19 LEU HG . 34089 1 224 . 1 1 19 19 LEU HD11 H 1 1.007 0.001 . 2 . . . . A 19 LEU HD11 . 34089 1 225 . 1 1 19 19 LEU HD12 H 1 1.007 0.001 . 2 . . . . A 19 LEU HD12 . 34089 1 226 . 1 1 19 19 LEU HD13 H 1 1.007 0.001 . 2 . . . . A 19 LEU HD13 . 34089 1 227 . 1 1 19 19 LEU HD21 H 1 0.991 0.001 . 2 . . . . A 19 LEU HD21 . 34089 1 228 . 1 1 19 19 LEU HD22 H 1 0.991 0.001 . 2 . . . . A 19 LEU HD22 . 34089 1 229 . 1 1 19 19 LEU HD23 H 1 0.991 0.001 . 2 . . . . A 19 LEU HD23 . 34089 1 230 . 1 1 19 19 LEU C C 13 178.651 0.000 . 1 . . . . A 19 LEU C . 34089 1 231 . 1 1 19 19 LEU CA C 13 58.148 0.105 . 1 . . . . A 19 LEU CA . 34089 1 232 . 1 1 19 19 LEU CB C 13 42.776 0.047 . 1 . . . . A 19 LEU CB . 34089 1 233 . 1 1 19 19 LEU CG C 13 27.348 0.083 . 1 . . . . A 19 LEU CG . 34089 1 234 . 1 1 19 19 LEU CD1 C 13 27.191 0.033 . 2 . . . . A 19 LEU CD1 . 34089 1 235 . 1 1 19 19 LEU CD2 C 13 24.781 0.031 . 2 . . . . A 19 LEU CD2 . 34089 1 236 . 1 1 19 19 LEU N N 15 122.731 0.035 . 1 . . . . A 19 LEU N . 34089 1 237 . 1 1 20 20 THR H H 1 8.837 0.014 . 1 . . . . A 20 THR H . 34089 1 238 . 1 1 20 20 THR HA H 1 3.715 0.010 . 1 . . . . A 20 THR HA . 34089 1 239 . 1 1 20 20 THR HB H 1 4.447 0.004 . 1 . . . . A 20 THR HB . 34089 1 240 . 1 1 20 20 THR HG1 H 1 5.898 0.004 . 1 . . . . A 20 THR HG1 . 34089 1 241 . 1 1 20 20 THR HG21 H 1 1.258 0.001 . 1 . . . . A 20 THR HG21 . 34089 1 242 . 1 1 20 20 THR HG22 H 1 1.258 0.001 . 1 . . . . A 20 THR HG22 . 34089 1 243 . 1 1 20 20 THR HG23 H 1 1.258 0.001 . 1 . . . . A 20 THR HG23 . 34089 1 244 . 1 1 20 20 THR C C 13 175.881 0.000 . 1 . . . . A 20 THR C . 34089 1 245 . 1 1 20 20 THR CA C 13 67.169 0.036 . 1 . . . . A 20 THR CA . 34089 1 246 . 1 1 20 20 THR CB C 13 68.530 0.077 . 1 . . . . A 20 THR CB . 34089 1 247 . 1 1 20 20 THR CG2 C 13 22.492 0.006 . 1 . . . . A 20 THR CG2 . 34089 1 248 . 1 1 20 20 THR N N 15 117.871 0.022 . 1 . . . . A 20 THR N . 34089 1 249 . 1 1 21 21 GLU H H 1 8.076 0.008 . 1 . . . . A 21 GLU H . 34089 1 250 . 1 1 21 21 GLU HA H 1 3.991 0.004 . 1 . . . . A 21 GLU HA . 34089 1 251 . 1 1 21 21 GLU HB2 H 1 2.139 0.004 . 1 . . . . A 21 GLU HB2 . 34089 1 252 . 1 1 21 21 GLU HB3 H 1 2.139 0.004 . 1 . . . . A 21 GLU HB3 . 34089 1 253 . 1 1 21 21 GLU HG2 H 1 2.344 0.011 . 1 . . . . A 21 GLU HG2 . 34089 1 254 . 1 1 21 21 GLU HG3 H 1 2.344 0.011 . 1 . . . . A 21 GLU HG3 . 34089 1 255 . 1 1 21 21 GLU C C 13 179.222 0.000 . 1 . . . . A 21 GLU C . 34089 1 256 . 1 1 21 21 GLU CA C 13 59.712 0.031 . 1 . . . . A 21 GLU CA . 34089 1 257 . 1 1 21 21 GLU CB C 13 29.310 0.024 . 1 . . . . A 21 GLU CB . 34089 1 258 . 1 1 21 21 GLU CG C 13 36.077 0.013 . 1 . . . . A 21 GLU CG . 34089 1 259 . 1 1 21 21 GLU N N 15 120.100 0.040 . 1 . . . . A 21 GLU N . 34089 1 260 . 1 1 22 22 SER H H 1 8.057 0.008 . 1 . . . . A 22 SER H . 34089 1 261 . 1 1 22 22 SER HA H 1 4.256 0.001 . 1 . . . . A 22 SER HA . 34089 1 262 . 1 1 22 22 SER HB2 H 1 4.086 0.006 . 2 . . . . A 22 SER HB2 . 34089 1 263 . 1 1 22 22 SER HB3 H 1 4.053 0.009 . 2 . . . . A 22 SER HB3 . 34089 1 264 . 1 1 22 22 SER C C 13 177.209 0.000 . 1 . . . . A 22 SER C . 34089 1 265 . 1 1 22 22 SER CA C 13 61.664 0.015 . 1 . . . . A 22 SER CA . 34089 1 266 . 1 1 22 22 SER CB C 13 63.142 0.109 . 1 . . . . A 22 SER CB . 34089 1 267 . 1 1 22 22 SER N N 15 115.444 0.068 . 1 . . . . A 22 SER N . 34089 1 268 . 1 1 23 23 GLY H H 1 9.058 0.008 . 1 . . . . A 23 GLY H . 34089 1 269 . 1 1 23 23 GLY HA2 H 1 3.783 0.003 . 2 . . . . A 23 GLY HA2 . 34089 1 270 . 1 1 23 23 GLY HA3 H 1 3.371 0.004 . 2 . . . . A 23 GLY HA3 . 34089 1 271 . 1 1 23 23 GLY C C 13 175.570 0.000 . 1 . . . . A 23 GLY C . 34089 1 272 . 1 1 23 23 GLY CA C 13 47.529 0.049 . 1 . . . . A 23 GLY CA . 34089 1 273 . 1 1 23 23 GLY N N 15 110.235 0.020 . 1 . . . . A 23 GLY N . 34089 1 274 . 1 1 24 24 LYS H H 1 8.592 0.007 . 1 . . . . A 24 LYS H . 34089 1 275 . 1 1 24 24 LYS HA H 1 3.885 0.005 . 1 . . . . A 24 LYS HA . 34089 1 276 . 1 1 24 24 LYS HB2 H 1 1.851 0.002 . 2 . . . . A 24 LYS HB2 . 34089 1 277 . 1 1 24 24 LYS HB3 H 1 1.777 0.003 . 2 . . . . A 24 LYS HB3 . 34089 1 278 . 1 1 24 24 LYS HG2 H 1 1.642 0.001 . 2 . . . . A 24 LYS HG2 . 34089 1 279 . 1 1 24 24 LYS HG3 H 1 1.309 0.007 . 2 . . . . A 24 LYS HG3 . 34089 1 280 . 1 1 24 24 LYS HD2 H 1 1.663 0.001 . 2 . . . . A 24 LYS HD2 . 34089 1 281 . 1 1 24 24 LYS HD3 H 1 1.610 0.001 . 2 . . . . A 24 LYS HD3 . 34089 1 282 . 1 1 24 24 LYS HE2 H 1 2.954 0.001 . 2 . . . . A 24 LYS HE2 . 34089 1 283 . 1 1 24 24 LYS HE3 H 1 2.911 0.001 . 2 . . . . A 24 LYS HE3 . 34089 1 284 . 1 1 24 24 LYS C C 13 178.864 0.000 . 1 . . . . A 24 LYS C . 34089 1 285 . 1 1 24 24 LYS CA C 13 59.542 0.030 . 1 . . . . A 24 LYS CA . 34089 1 286 . 1 1 24 24 LYS CB C 13 32.105 0.037 . 1 . . . . A 24 LYS CB . 34089 1 287 . 1 1 24 24 LYS CG C 13 25.531 0.010 . 1 . . . . A 24 LYS CG . 34089 1 288 . 1 1 24 24 LYS CD C 13 29.401 0.063 . 1 . . . . A 24 LYS CD . 34089 1 289 . 1 1 24 24 LYS CE C 13 41.718 0.036 . 1 . . . . A 24 LYS CE . 34089 1 290 . 1 1 24 24 LYS N N 15 121.326 0.028 . 1 . . . . A 24 LYS N . 34089 1 291 . 1 1 25 25 LYS H H 1 7.667 0.013 . 1 . . . . A 25 LYS H . 34089 1 292 . 1 1 25 25 LYS HA H 1 4.105 0.010 . 1 . . . . A 25 LYS HA . 34089 1 293 . 1 1 25 25 LYS HB2 H 1 1.987 0.002 . 1 . . . . A 25 LYS HB2 . 34089 1 294 . 1 1 25 25 LYS HB3 H 1 1.987 0.002 . 1 . . . . A 25 LYS HB3 . 34089 1 295 . 1 1 25 25 LYS HG2 H 1 1.606 0.001 . 2 . . . . A 25 LYS HG2 . 34089 1 296 . 1 1 25 25 LYS HG3 H 1 1.475 0.003 . 2 . . . . A 25 LYS HG3 . 34089 1 297 . 1 1 25 25 LYS HD2 H 1 1.714 0.002 . 1 . . . . A 25 LYS HD2 . 34089 1 298 . 1 1 25 25 LYS HD3 H 1 1.714 0.002 . 1 . . . . A 25 LYS HD3 . 34089 1 299 . 1 1 25 25 LYS HE2 H 1 2.990 0.004 . 1 . . . . A 25 LYS HE2 . 34089 1 300 . 1 1 25 25 LYS HE3 H 1 2.990 0.004 . 1 . . . . A 25 LYS HE3 . 34089 1 301 . 1 1 25 25 LYS C C 13 178.443 0.000 . 1 . . . . A 25 LYS C . 34089 1 302 . 1 1 25 25 LYS CA C 13 59.388 0.005 . 1 . . . . A 25 LYS CA . 34089 1 303 . 1 1 25 25 LYS CB C 13 32.725 0.009 . 1 . . . . A 25 LYS CB . 34089 1 304 . 1 1 25 25 LYS CG C 13 25.221 0.043 . 1 . . . . A 25 LYS CG . 34089 1 305 . 1 1 25 25 LYS CD C 13 29.162 0.059 . 1 . . . . A 25 LYS CD . 34089 1 306 . 1 1 25 25 LYS CE C 13 42.128 0.076 . 1 . . . . A 25 LYS CE . 34089 1 307 . 1 1 25 25 LYS N N 15 118.631 0.034 . 1 . . . . A 25 LYS N . 34089 1 308 . 1 1 26 26 ARG H H 1 8.050 0.005 . 1 . . . . A 26 ARG H . 34089 1 309 . 1 1 26 26 ARG HA H 1 4.283 0.020 . 1 . . . . A 26 ARG HA . 34089 1 310 . 1 1 26 26 ARG HB2 H 1 2.102 0.002 . 2 . . . . A 26 ARG HB2 . 34089 1 311 . 1 1 26 26 ARG HB3 H 1 2.030 0.002 . 2 . . . . A 26 ARG HB3 . 34089 1 312 . 1 1 26 26 ARG HG2 H 1 1.858 0.010 . 2 . . . . A 26 ARG HG2 . 34089 1 313 . 1 1 26 26 ARG HG3 H 1 1.795 0.007 . 2 . . . . A 26 ARG HG3 . 34089 1 314 . 1 1 26 26 ARG HD2 H 1 3.226 0.002 . 1 . . . . A 26 ARG HD2 . 34089 1 315 . 1 1 26 26 ARG HD3 H 1 3.226 0.002 . 1 . . . . A 26 ARG HD3 . 34089 1 316 . 1 1 26 26 ARG HE H 1 7.011 0.010 . 1 . . . . A 26 ARG HE . 34089 1 317 . 1 1 26 26 ARG C C 13 177.412 0.000 . 1 . . . . A 26 ARG C . 34089 1 318 . 1 1 26 26 ARG CA C 13 57.628 0.050 . 1 . . . . A 26 ARG CA . 34089 1 319 . 1 1 26 26 ARG CB C 13 32.764 0.013 . 1 . . . . A 26 ARG CB . 34089 1 320 . 1 1 26 26 ARG CG C 13 27.476 0.058 . 1 . . . . A 26 ARG CG . 34089 1 321 . 1 1 26 26 ARG CD C 13 44.027 0.033 . 1 . . . . A 26 ARG CD . 34089 1 322 . 1 1 26 26 ARG CZ C 13 179.887 0.000 . 1 . . . . A 26 ARG CZ . 34089 1 323 . 1 1 26 26 ARG N N 15 115.776 0.176 . 1 . . . . A 26 ARG N . 34089 1 324 . 1 1 26 26 ARG NE N 15 83.482 0.035 . 1 . . . . A 26 ARG NE . 34089 1 325 . 1 1 27 27 GLY H H 1 8.518 0.313 . 1 . . . . A 27 GLY H . 34089 1 326 . 1 1 27 27 GLY HA2 H 1 4.323 0.003 . 2 . . . . A 27 GLY HA2 . 34089 1 327 . 1 1 27 27 GLY HA3 H 1 3.756 0.003 . 2 . . . . A 27 GLY HA3 . 34089 1 328 . 1 1 27 27 GLY C C 13 173.059 0.000 . 1 . . . . A 27 GLY C . 34089 1 329 . 1 1 27 27 GLY CA C 13 45.399 0.061 . 1 . . . . A 27 GLY CA . 34089 1 330 . 1 1 27 27 GLY N N 15 109.993 2.120 . 1 . . . . A 27 GLY N . 34089 1 331 . 1 1 28 28 VAL H H 1 7.090 0.001 . 1 . . . . A 28 VAL H . 34089 1 332 . 1 1 28 28 VAL HA H 1 5.383 0.003 . 1 . . . . A 28 VAL HA . 34089 1 333 . 1 1 28 28 VAL HB H 1 1.868 0.006 . 1 . . . . A 28 VAL HB . 34089 1 334 . 1 1 28 28 VAL HG11 H 1 0.710 0.006 . 2 . . . . A 28 VAL HG11 . 34089 1 335 . 1 1 28 28 VAL HG12 H 1 0.710 0.006 . 2 . . . . A 28 VAL HG12 . 34089 1 336 . 1 1 28 28 VAL HG13 H 1 0.710 0.006 . 2 . . . . A 28 VAL HG13 . 34089 1 337 . 1 1 28 28 VAL HG21 H 1 0.726 0.004 . 2 . . . . A 28 VAL HG21 . 34089 1 338 . 1 1 28 28 VAL HG22 H 1 0.726 0.004 . 2 . . . . A 28 VAL HG22 . 34089 1 339 . 1 1 28 28 VAL HG23 H 1 0.726 0.004 . 2 . . . . A 28 VAL HG23 . 34089 1 340 . 1 1 28 28 VAL C C 13 172.516 0.000 . 1 . . . . A 28 VAL C . 34089 1 341 . 1 1 28 28 VAL CA C 13 58.683 0.064 . 1 . . . . A 28 VAL CA . 34089 1 342 . 1 1 28 28 VAL CB C 13 35.778 0.078 . 1 . . . . A 28 VAL CB . 34089 1 343 . 1 1 28 28 VAL CG1 C 13 20.755 0.071 . 2 . . . . A 28 VAL CG1 . 34089 1 344 . 1 1 28 28 VAL CG2 C 13 20.276 0.073 . 2 . . . . A 28 VAL CG2 . 34089 1 345 . 1 1 28 28 VAL N N 15 117.134 0.016 . 1 . . . . A 28 VAL N . 34089 1 346 . 1 1 29 29 LEU H H 1 8.273 0.007 . 1 . . . . A 29 LEU H . 34089 1 347 . 1 1 29 29 LEU HA H 1 4.546 0.003 . 1 . . . . A 29 LEU HA . 34089 1 348 . 1 1 29 29 LEU HB2 H 1 1.286 0.001 . 2 . . . . A 29 LEU HB2 . 34089 1 349 . 1 1 29 29 LEU HB3 H 1 1.237 0.003 . 2 . . . . A 29 LEU HB3 . 34089 1 350 . 1 1 29 29 LEU HG H 1 1.423 0.004 . 1 . . . . A 29 LEU HG . 34089 1 351 . 1 1 29 29 LEU HD11 H 1 0.912 0.002 . 2 . . . . A 29 LEU HD11 . 34089 1 352 . 1 1 29 29 LEU HD12 H 1 0.912 0.002 . 2 . . . . A 29 LEU HD12 . 34089 1 353 . 1 1 29 29 LEU HD13 H 1 0.912 0.002 . 2 . . . . A 29 LEU HD13 . 34089 1 354 . 1 1 29 29 LEU HD21 H 1 0.821 0.001 . 2 . . . . A 29 LEU HD21 . 34089 1 355 . 1 1 29 29 LEU HD22 H 1 0.821 0.001 . 2 . . . . A 29 LEU HD22 . 34089 1 356 . 1 1 29 29 LEU HD23 H 1 0.821 0.001 . 2 . . . . A 29 LEU HD23 . 34089 1 357 . 1 1 29 29 LEU C C 13 175.294 0.000 . 1 . . . . A 29 LEU C . 34089 1 358 . 1 1 29 29 LEU CA C 13 53.595 0.039 . 1 . . . . A 29 LEU CA . 34089 1 359 . 1 1 29 29 LEU CB C 13 48.481 0.031 . 1 . . . . A 29 LEU CB . 34089 1 360 . 1 1 29 29 LEU CG C 13 27.220 0.042 . 1 . . . . A 29 LEU CG . 34089 1 361 . 1 1 29 29 LEU CD1 C 13 23.742 0.088 . 2 . . . . A 29 LEU CD1 . 34089 1 362 . 1 1 29 29 LEU CD2 C 13 26.069 0.038 . 2 . . . . A 29 LEU CD2 . 34089 1 363 . 1 1 29 29 LEU N N 15 122.797 0.061 . 1 . . . . A 29 LEU N . 34089 1 364 . 1 1 30 30 THR H H 1 9.009 0.016 . 1 . . . . A 30 THR H . 34089 1 365 . 1 1 30 30 THR HA H 1 5.612 0.003 . 1 . . . . A 30 THR HA . 34089 1 366 . 1 1 30 30 THR HB H 1 4.909 0.002 . 1 . . . . A 30 THR HB . 34089 1 367 . 1 1 30 30 THR HG21 H 1 1.142 0.003 . 1 . . . . A 30 THR HG21 . 34089 1 368 . 1 1 30 30 THR HG22 H 1 1.142 0.003 . 1 . . . . A 30 THR HG22 . 34089 1 369 . 1 1 30 30 THR HG23 H 1 1.142 0.003 . 1 . . . . A 30 THR HG23 . 34089 1 370 . 1 1 30 30 THR C C 13 176.519 0.000 . 1 . . . . A 30 THR C . 34089 1 371 . 1 1 30 30 THR CA C 13 58.074 0.018 . 1 . . . . A 30 THR CA . 34089 1 372 . 1 1 30 30 THR CB C 13 70.960 0.087 . 1 . . . . A 30 THR CB . 34089 1 373 . 1 1 30 30 THR CG2 C 13 21.682 0.010 . 1 . . . . A 30 THR CG2 . 34089 1 374 . 1 1 30 30 THR N N 15 110.446 0.029 . 1 . . . . A 30 THR N . 34089 1 375 . 1 1 31 31 TYR H H 1 8.434 0.010 . 1 . . . . A 31 TYR H . 34089 1 376 . 1 1 31 31 TYR HA H 1 3.963 0.006 . 1 . . . . A 31 TYR HA . 34089 1 377 . 1 1 31 31 TYR HB2 H 1 3.064 0.010 . 2 . . . . A 31 TYR HB2 . 34089 1 378 . 1 1 31 31 TYR HB3 H 1 2.603 0.012 . 2 . . . . A 31 TYR HB3 . 34089 1 379 . 1 1 31 31 TYR HD1 H 1 6.752 0.008 . 3 . . . . A 31 TYR HD1 . 34089 1 380 . 1 1 31 31 TYR HD2 H 1 6.752 0.008 . 3 . . . . A 31 TYR HD2 . 34089 1 381 . 1 1 31 31 TYR HE1 H 1 5.941 0.011 . 3 . . . . A 31 TYR HE1 . 34089 1 382 . 1 1 31 31 TYR HE2 H 1 5.941 0.011 . 3 . . . . A 31 TYR HE2 . 34089 1 383 . 1 1 31 31 TYR C C 13 179.390 0.000 . 1 . . . . A 31 TYR C . 34089 1 384 . 1 1 31 31 TYR CA C 13 62.791 0.007 . 1 . . . . A 31 TYR CA . 34089 1 385 . 1 1 31 31 TYR CB C 13 38.387 0.028 . 1 . . . . A 31 TYR CB . 34089 1 386 . 1 1 31 31 TYR CD1 C 13 132.724 0.030 . 3 . . . . A 31 TYR CD1 . 34089 1 387 . 1 1 31 31 TYR CD2 C 13 132.724 0.030 . 3 . . . . A 31 TYR CD2 . 34089 1 388 . 1 1 31 31 TYR CE1 C 13 118.008 0.032 . 3 . . . . A 31 TYR CE1 . 34089 1 389 . 1 1 31 31 TYR CE2 C 13 118.008 0.032 . 3 . . . . A 31 TYR CE2 . 34089 1 390 . 1 1 31 31 TYR N N 15 120.283 0.016 . 1 . . . . A 31 TYR N . 34089 1 391 . 1 1 32 32 GLU H H 1 9.761 0.011 . 1 . . . . A 32 GLU H . 34089 1 392 . 1 1 32 32 GLU HA H 1 4.047 0.002 . 1 . . . . A 32 GLU HA . 34089 1 393 . 1 1 32 32 GLU HB2 H 1 2.216 0.000 . 2 . . . . A 32 GLU HB2 . 34089 1 394 . 1 1 32 32 GLU HB3 H 1 1.917 0.003 . 2 . . . . A 32 GLU HB3 . 34089 1 395 . 1 1 32 32 GLU HG2 H 1 2.674 0.002 . 2 . . . . A 32 GLU HG2 . 34089 1 396 . 1 1 32 32 GLU HG3 H 1 2.330 0.004 . 2 . . . . A 32 GLU HG3 . 34089 1 397 . 1 1 32 32 GLU C C 13 178.985 0.000 . 1 . . . . A 32 GLU C . 34089 1 398 . 1 1 32 32 GLU CA C 13 61.655 0.015 . 1 . . . . A 32 GLU CA . 34089 1 399 . 1 1 32 32 GLU CB C 13 28.291 0.046 . 1 . . . . A 32 GLU CB . 34089 1 400 . 1 1 32 32 GLU CG C 13 38.284 0.065 . 1 . . . . A 32 GLU CG . 34089 1 401 . 1 1 32 32 GLU N N 15 119.417 0.026 . 1 . . . . A 32 GLU N . 34089 1 402 . 1 1 33 33 GLU H H 1 8.602 0.009 . 1 . . . . A 33 GLU H . 34089 1 403 . 1 1 33 33 GLU HA H 1 4.310 0.005 . 1 . . . . A 33 GLU HA . 34089 1 404 . 1 1 33 33 GLU HB2 H 1 2.275 0.007 . 2 . . . . A 33 GLU HB2 . 34089 1 405 . 1 1 33 33 GLU HB3 H 1 1.952 0.003 . 2 . . . . A 33 GLU HB3 . 34089 1 406 . 1 1 33 33 GLU HG2 H 1 2.717 0.003 . 2 . . . . A 33 GLU HG2 . 34089 1 407 . 1 1 33 33 GLU HG3 H 1 2.099 0.001 . 2 . . . . A 33 GLU HG3 . 34089 1 408 . 1 1 33 33 GLU C C 13 178.646 0.000 . 1 . . . . A 33 GLU C . 34089 1 409 . 1 1 33 33 GLU CA C 13 58.913 0.077 . 1 . . . . A 33 GLU CA . 34089 1 410 . 1 1 33 33 GLU CB C 13 29.030 0.091 . 1 . . . . A 33 GLU CB . 34089 1 411 . 1 1 33 33 GLU CG C 13 36.579 0.019 . 1 . . . . A 33 GLU CG . 34089 1 412 . 1 1 33 33 GLU N N 15 123.165 0.037 . 1 . . . . A 33 GLU N . 34089 1 413 . 1 1 34 34 ILE H H 1 7.616 0.006 . 1 . . . . A 34 ILE H . 34089 1 414 . 1 1 34 34 ILE HA H 1 3.727 0.002 . 1 . . . . A 34 ILE HA . 34089 1 415 . 1 1 34 34 ILE HB H 1 2.138 0.003 . 1 . . . . A 34 ILE HB . 34089 1 416 . 1 1 34 34 ILE HG12 H 1 2.051 0.002 . 1 . . . . A 34 ILE HG12 . 34089 1 417 . 1 1 34 34 ILE HG13 H 1 1.050 0.012 . 1 . . . . A 34 ILE HG13 . 34089 1 418 . 1 1 34 34 ILE HG21 H 1 1.210 0.005 . 1 . . . . A 34 ILE HG21 . 34089 1 419 . 1 1 34 34 ILE HG22 H 1 1.210 0.005 . 1 . . . . A 34 ILE HG22 . 34089 1 420 . 1 1 34 34 ILE HG23 H 1 1.210 0.005 . 1 . . . . A 34 ILE HG23 . 34089 1 421 . 1 1 34 34 ILE HD11 H 1 0.832 0.003 . 1 . . . . A 34 ILE HD11 . 34089 1 422 . 1 1 34 34 ILE HD12 H 1 0.832 0.003 . 1 . . . . A 34 ILE HD12 . 34089 1 423 . 1 1 34 34 ILE HD13 H 1 0.832 0.003 . 1 . . . . A 34 ILE HD13 . 34089 1 424 . 1 1 34 34 ILE C C 13 177.211 0.000 . 1 . . . . A 34 ILE C . 34089 1 425 . 1 1 34 34 ILE CA C 13 65.823 0.040 . 1 . . . . A 34 ILE CA . 34089 1 426 . 1 1 34 34 ILE CB C 13 38.768 0.023 . 1 . . . . A 34 ILE CB . 34089 1 427 . 1 1 34 34 ILE CG1 C 13 29.533 0.046 . 1 . . . . A 34 ILE CG1 . 34089 1 428 . 1 1 34 34 ILE CG2 C 13 18.046 0.057 . 1 . . . . A 34 ILE CG2 . 34089 1 429 . 1 1 34 34 ILE CD1 C 13 15.107 0.021 . 1 . . . . A 34 ILE CD1 . 34089 1 430 . 1 1 34 34 ILE N N 15 121.150 0.017 . 1 . . . . A 34 ILE N . 34089 1 431 . 1 1 35 35 ALA H H 1 8.290 0.008 . 1 . . . . A 35 ALA H . 34089 1 432 . 1 1 35 35 ALA HA H 1 4.058 0.002 . 1 . . . . A 35 ALA HA . 34089 1 433 . 1 1 35 35 ALA HB1 H 1 1.564 0.001 . 1 . . . . A 35 ALA HB1 . 34089 1 434 . 1 1 35 35 ALA HB2 H 1 1.564 0.001 . 1 . . . . A 35 ALA HB2 . 34089 1 435 . 1 1 35 35 ALA HB3 H 1 1.564 0.001 . 1 . . . . A 35 ALA HB3 . 34089 1 436 . 1 1 35 35 ALA C C 13 181.024 0.000 . 1 . . . . A 35 ALA C . 34089 1 437 . 1 1 35 35 ALA CA C 13 55.272 0.037 . 1 . . . . A 35 ALA CA . 34089 1 438 . 1 1 35 35 ALA CB C 13 18.105 0.009 . 1 . . . . A 35 ALA CB . 34089 1 439 . 1 1 35 35 ALA N N 15 120.410 0.032 . 1 . . . . A 35 ALA N . 34089 1 440 . 1 1 36 36 GLU H H 1 8.198 0.008 . 1 . . . . A 36 GLU H . 34089 1 441 . 1 1 36 36 GLU HA H 1 4.100 0.002 . 1 . . . . A 36 GLU HA . 34089 1 442 . 1 1 36 36 GLU HB2 H 1 2.178 0.011 . 1 . . . . A 36 GLU HB2 . 34089 1 443 . 1 1 36 36 GLU HB3 H 1 2.178 0.011 . 1 . . . . A 36 GLU HB3 . 34089 1 444 . 1 1 36 36 GLU HG2 H 1 2.362 0.005 . 1 . . . . A 36 GLU HG2 . 34089 1 445 . 1 1 36 36 GLU HG3 H 1 2.362 0.005 . 1 . . . . A 36 GLU HG3 . 34089 1 446 . 1 1 36 36 GLU C C 13 179.969 0.000 . 1 . . . . A 36 GLU C . 34089 1 447 . 1 1 36 36 GLU CA C 13 59.475 0.000 . 1 . . . . A 36 GLU CA . 34089 1 448 . 1 1 36 36 GLU CB C 13 29.500 0.000 . 1 . . . . A 36 GLU CB . 34089 1 449 . 1 1 36 36 GLU CG C 13 35.800 0.000 . 1 . . . . A 36 GLU CG . 34089 1 450 . 1 1 36 36 GLU N N 15 117.866 0.019 . 1 . . . . A 36 GLU N . 34089 1 451 . 1 1 37 37 ARG H H 1 8.036 0.007 . 1 . . . . A 37 ARG H . 34089 1 452 . 1 1 37 37 ARG HA H 1 4.325 0.001 . 1 . . . . A 37 ARG HA . 34089 1 453 . 1 1 37 37 ARG HB2 H 1 2.066 0.000 . 2 . . . . A 37 ARG HB2 . 34089 1 454 . 1 1 37 37 ARG HB3 H 1 1.980 0.000 . 2 . . . . A 37 ARG HB3 . 34089 1 455 . 1 1 37 37 ARG HG2 H 1 1.981 0.002 . 2 . . . . A 37 ARG HG2 . 34089 1 456 . 1 1 37 37 ARG HG3 H 1 1.917 0.002 . 2 . . . . A 37 ARG HG3 . 34089 1 457 . 1 1 37 37 ARG HD2 H 1 3.325 0.007 . 2 . . . . A 37 ARG HD2 . 34089 1 458 . 1 1 37 37 ARG HD3 H 1 3.287 0.012 . 2 . . . . A 37 ARG HD3 . 34089 1 459 . 1 1 37 37 ARG HE H 1 7.650 0.012 . 1 . . . . A 37 ARG HE . 34089 1 460 . 1 1 37 37 ARG C C 13 178.538 0.000 . 1 . . . . A 37 ARG C . 34089 1 461 . 1 1 37 37 ARG CA C 13 57.633 0.022 . 1 . . . . A 37 ARG CA . 34089 1 462 . 1 1 37 37 ARG CB C 13 29.696 0.049 . 1 . . . . A 37 ARG CB . 34089 1 463 . 1 1 37 37 ARG CG C 13 26.936 0.033 . 1 . . . . A 37 ARG CG . 34089 1 464 . 1 1 37 37 ARG CD C 13 42.472 0.047 . 1 . . . . A 37 ARG CD . 34089 1 465 . 1 1 37 37 ARG CZ C 13 179.920 0.000 . 1 . . . . A 37 ARG CZ . 34089 1 466 . 1 1 37 37 ARG N N 15 117.769 0.036 . 1 . . . . A 37 ARG N . 34089 1 467 . 1 1 37 37 ARG NE N 15 83.967 0.025 . 1 . . . . A 37 ARG NE . 34089 1 468 . 1 1 38 38 MET H H 1 8.172 0.011 . 1 . . . . A 38 MET H . 34089 1 469 . 1 1 38 38 MET HA H 1 4.883 0.002 . 1 . . . . A 38 MET HA . 34089 1 470 . 1 1 38 38 MET HB2 H 1 2.445 0.004 . 2 . . . . A 38 MET HB2 . 34089 1 471 . 1 1 38 38 MET HB3 H 1 2.205 0.003 . 2 . . . . A 38 MET HB3 . 34089 1 472 . 1 1 38 38 MET HG2 H 1 2.662 0.003 . 1 . . . . A 38 MET HG2 . 34089 1 473 . 1 1 38 38 MET HG3 H 1 2.662 0.003 . 1 . . . . A 38 MET HG3 . 34089 1 474 . 1 1 38 38 MET HE1 H 1 1.547 0.005 . 1 . . . . A 38 MET HE1 . 34089 1 475 . 1 1 38 38 MET HE2 H 1 1.547 0.005 . 1 . . . . A 38 MET HE2 . 34089 1 476 . 1 1 38 38 MET HE3 H 1 1.547 0.005 . 1 . . . . A 38 MET HE3 . 34089 1 477 . 1 1 38 38 MET C C 13 177.592 0.000 . 1 . . . . A 38 MET C . 34089 1 478 . 1 1 38 38 MET CA C 13 55.871 0.029 . 1 . . . . A 38 MET CA . 34089 1 479 . 1 1 38 38 MET CB C 13 32.677 0.036 . 1 . . . . A 38 MET CB . 34089 1 480 . 1 1 38 38 MET CG C 13 34.334 0.040 . 1 . . . . A 38 MET CG . 34089 1 481 . 1 1 38 38 MET CE C 13 18.755 0.021 . 1 . . . . A 38 MET CE . 34089 1 482 . 1 1 38 38 MET N N 15 114.754 0.025 . 1 . . . . A 38 MET N . 34089 1 483 . 1 1 39 39 SER H H 1 7.639 0.012 . 1 . . . . A 39 SER H . 34089 1 484 . 1 1 39 39 SER HA H 1 4.243 0.003 . 1 . . . . A 39 SER HA . 34089 1 485 . 1 1 39 39 SER HB2 H 1 4.200 0.004 . 2 . . . . A 39 SER HB2 . 34089 1 486 . 1 1 39 39 SER HB3 H 1 4.051 0.005 . 2 . . . . A 39 SER HB3 . 34089 1 487 . 1 1 39 39 SER C C 13 175.603 0.000 . 1 . . . . A 39 SER C . 34089 1 488 . 1 1 39 39 SER CA C 13 61.933 0.064 . 1 . . . . A 39 SER CA . 34089 1 489 . 1 1 39 39 SER CB C 13 63.220 0.035 . 1 . . . . A 39 SER CB . 34089 1 490 . 1 1 39 39 SER N N 15 116.017 0.025 . 1 . . . . A 39 SER N . 34089 1 491 . 1 1 40 40 SER H H 1 8.040 0.003 . 1 . . . . A 40 SER H . 34089 1 492 . 1 1 40 40 SER HA H 1 4.270 0.004 . 1 . . . . A 40 SER HA . 34089 1 493 . 1 1 40 40 SER HB2 H 1 3.545 0.004 . 2 . . . . A 40 SER HB2 . 34089 1 494 . 1 1 40 40 SER HB3 H 1 3.414 0.003 . 2 . . . . A 40 SER HB3 . 34089 1 495 . 1 1 40 40 SER C C 13 173.662 0.000 . 1 . . . . A 40 SER C . 34089 1 496 . 1 1 40 40 SER CA C 13 59.663 0.005 . 1 . . . . A 40 SER CA . 34089 1 497 . 1 1 40 40 SER CB C 13 63.023 0.032 . 1 . . . . A 40 SER CB . 34089 1 498 . 1 1 40 40 SER N N 15 115.575 0.022 . 1 . . . . A 40 SER N . 34089 1 499 . 1 1 41 41 PHE H H 1 7.724 0.010 . 1 . . . . A 41 PHE H . 34089 1 500 . 1 1 41 41 PHE HA H 1 4.712 0.002 . 1 . . . . A 41 PHE HA . 34089 1 501 . 1 1 41 41 PHE HB2 H 1 3.136 0.004 . 2 . . . . A 41 PHE HB2 . 34089 1 502 . 1 1 41 41 PHE HB3 H 1 2.807 0.003 . 2 . . . . A 41 PHE HB3 . 34089 1 503 . 1 1 41 41 PHE HD1 H 1 7.366 0.005 . 3 . . . . A 41 PHE HD1 . 34089 1 504 . 1 1 41 41 PHE HD2 H 1 7.366 0.005 . 3 . . . . A 41 PHE HD2 . 34089 1 505 . 1 1 41 41 PHE HE1 H 1 7.432 0.008 . 3 . . . . A 41 PHE HE1 . 34089 1 506 . 1 1 41 41 PHE HE2 H 1 7.432 0.008 . 3 . . . . A 41 PHE HE2 . 34089 1 507 . 1 1 41 41 PHE HZ H 1 7.144 0.005 . 1 . . . . A 41 PHE HZ . 34089 1 508 . 1 1 41 41 PHE C C 13 174.617 0.000 . 1 . . . . A 41 PHE C . 34089 1 509 . 1 1 41 41 PHE CA C 13 57.040 0.030 . 1 . . . . A 41 PHE CA . 34089 1 510 . 1 1 41 41 PHE CB C 13 40.506 0.060 . 1 . . . . A 41 PHE CB . 34089 1 511 . 1 1 41 41 PHE CD1 C 13 131.989 0.083 . 3 . . . . A 41 PHE CD1 . 34089 1 512 . 1 1 41 41 PHE CD2 C 13 131.989 0.083 . 3 . . . . A 41 PHE CD2 . 34089 1 513 . 1 1 41 41 PHE CE1 C 13 131.472 0.107 . 3 . . . . A 41 PHE CE1 . 34089 1 514 . 1 1 41 41 PHE CE2 C 13 131.472 0.107 . 3 . . . . A 41 PHE CE2 . 34089 1 515 . 1 1 41 41 PHE CZ C 13 129.885 0.019 . 1 . . . . A 41 PHE CZ . 34089 1 516 . 1 1 41 41 PHE N N 15 119.827 0.060 . 1 . . . . A 41 PHE N . 34089 1 517 . 1 1 42 42 GLU H H 1 8.379 0.008 . 1 . . . . A 42 GLU H . 34089 1 518 . 1 1 42 42 GLU HA H 1 4.309 0.007 . 1 . . . . A 42 GLU HA . 34089 1 519 . 1 1 42 42 GLU HB2 H 1 1.977 0.003 . 1 . . . . A 42 GLU HB2 . 34089 1 520 . 1 1 42 42 GLU HB3 H 1 1.977 0.003 . 1 . . . . A 42 GLU HB3 . 34089 1 521 . 1 1 42 42 GLU HG2 H 1 2.206 0.001 . 2 . . . . A 42 GLU HG2 . 34089 1 522 . 1 1 42 42 GLU HG3 H 1 2.163 0.001 . 2 . . . . A 42 GLU HG3 . 34089 1 523 . 1 1 42 42 GLU C C 13 175.130 0.000 . 1 . . . . A 42 GLU C . 34089 1 524 . 1 1 42 42 GLU CA C 13 56.234 0.076 . 1 . . . . A 42 GLU CA . 34089 1 525 . 1 1 42 42 GLU CB C 13 28.538 0.026 . 1 . . . . A 42 GLU CB . 34089 1 526 . 1 1 42 42 GLU CG C 13 36.049 0.025 . 1 . . . . A 42 GLU CG . 34089 1 527 . 1 1 42 42 GLU N N 15 121.057 0.065 . 1 . . . . A 42 GLU N . 34089 1 528 . 1 1 43 43 ILE H H 1 8.087 0.010 . 1 . . . . A 43 ILE H . 34089 1 529 . 1 1 43 43 ILE HA H 1 4.141 0.003 . 1 . . . . A 43 ILE HA . 34089 1 530 . 1 1 43 43 ILE HB H 1 1.678 0.003 . 1 . . . . A 43 ILE HB . 34089 1 531 . 1 1 43 43 ILE HG12 H 1 1.176 0.006 . 1 . . . . A 43 ILE HG12 . 34089 1 532 . 1 1 43 43 ILE HG13 H 1 1.023 0.006 . 1 . . . . A 43 ILE HG13 . 34089 1 533 . 1 1 43 43 ILE HG21 H 1 0.706 0.006 . 1 . . . . A 43 ILE HG21 . 34089 1 534 . 1 1 43 43 ILE HG22 H 1 0.706 0.006 . 1 . . . . A 43 ILE HG22 . 34089 1 535 . 1 1 43 43 ILE HG23 H 1 0.706 0.006 . 1 . . . . A 43 ILE HG23 . 34089 1 536 . 1 1 43 43 ILE HD11 H 1 0.491 0.004 . 1 . . . . A 43 ILE HD11 . 34089 1 537 . 1 1 43 43 ILE HD12 H 1 0.491 0.004 . 1 . . . . A 43 ILE HD12 . 34089 1 538 . 1 1 43 43 ILE HD13 H 1 0.491 0.004 . 1 . . . . A 43 ILE HD13 . 34089 1 539 . 1 1 43 43 ILE C C 13 176.155 0.000 . 1 . . . . A 43 ILE C . 34089 1 540 . 1 1 43 43 ILE CA C 13 59.401 0.010 . 1 . . . . A 43 ILE CA . 34089 1 541 . 1 1 43 43 ILE CB C 13 39.373 0.045 . 1 . . . . A 43 ILE CB . 34089 1 542 . 1 1 43 43 ILE CG1 C 13 26.655 0.037 . 1 . . . . A 43 ILE CG1 . 34089 1 543 . 1 1 43 43 ILE CG2 C 13 17.969 0.050 . 1 . . . . A 43 ILE CG2 . 34089 1 544 . 1 1 43 43 ILE CD1 C 13 12.668 0.022 . 1 . . . . A 43 ILE CD1 . 34089 1 545 . 1 1 43 43 ILE N N 15 122.803 0.026 . 1 . . . . A 43 ILE N . 34089 1 546 . 1 1 44 44 GLU H H 1 8.594 0.005 . 1 . . . . A 44 GLU H . 34089 1 547 . 1 1 44 44 GLU HA H 1 4.403 0.002 . 1 . . . . A 44 GLU HA . 34089 1 548 . 1 1 44 44 GLU HB2 H 1 2.279 0.004 . 2 . . . . A 44 GLU HB2 . 34089 1 549 . 1 1 44 44 GLU HB3 H 1 1.950 0.002 . 2 . . . . A 44 GLU HB3 . 34089 1 550 . 1 1 44 44 GLU HG2 H 1 2.392 0.001 . 2 . . . . A 44 GLU HG2 . 34089 1 551 . 1 1 44 44 GLU HG3 H 1 2.319 0.004 . 2 . . . . A 44 GLU HG3 . 34089 1 552 . 1 1 44 44 GLU C C 13 178.071 0.000 . 1 . . . . A 44 GLU C . 34089 1 553 . 1 1 44 44 GLU CA C 13 55.968 0.018 . 1 . . . . A 44 GLU CA . 34089 1 554 . 1 1 44 44 GLU CB C 13 30.601 0.072 . 1 . . . . A 44 GLU CB . 34089 1 555 . 1 1 44 44 GLU CG C 13 36.277 0.035 . 1 . . . . A 44 GLU CG . 34089 1 556 . 1 1 44 44 GLU N N 15 125.785 0.035 . 1 . . . . A 44 GLU N . 34089 1 557 . 1 1 45 45 SER H H 1 8.929 0.011 . 1 . . . . A 45 SER H . 34089 1 558 . 1 1 45 45 SER HA H 1 4.039 0.003 . 1 . . . . A 45 SER HA . 34089 1 559 . 1 1 45 45 SER HB2 H 1 3.949 0.007 . 1 . . . . A 45 SER HB2 . 34089 1 560 . 1 1 45 45 SER HB3 H 1 3.949 0.007 . 1 . . . . A 45 SER HB3 . 34089 1 561 . 1 1 45 45 SER C C 13 176.299 0.000 . 1 . . . . A 45 SER C . 34089 1 562 . 1 1 45 45 SER CA C 13 62.227 0.181 . 1 . . . . A 45 SER CA . 34089 1 563 . 1 1 45 45 SER CB C 13 62.739 0.012 . 1 . . . . A 45 SER CB . 34089 1 564 . 1 1 45 45 SER N N 15 118.507 0.030 . 1 . . . . A 45 SER N . 34089 1 565 . 1 1 46 46 ASP H H 1 8.750 0.009 . 1 . . . . A 46 ASP H . 34089 1 566 . 1 1 46 46 ASP HA H 1 4.437 0.004 . 1 . . . . A 46 ASP HA . 34089 1 567 . 1 1 46 46 ASP HB2 H 1 2.731 0.002 . 2 . . . . A 46 ASP HB2 . 34089 1 568 . 1 1 46 46 ASP HB3 H 1 2.673 0.001 . 2 . . . . A 46 ASP HB3 . 34089 1 569 . 1 1 46 46 ASP C C 13 178.483 0.000 . 1 . . . . A 46 ASP C . 34089 1 570 . 1 1 46 46 ASP CA C 13 56.949 0.039 . 1 . . . . A 46 ASP CA . 34089 1 571 . 1 1 46 46 ASP CB C 13 39.507 0.031 . 1 . . . . A 46 ASP CB . 34089 1 572 . 1 1 46 46 ASP N N 15 119.682 0.028 . 1 . . . . A 46 ASP N . 34089 1 573 . 1 1 47 47 GLN H H 1 7.460 0.008 . 1 . . . . A 47 GLN H . 34089 1 574 . 1 1 47 47 GLN HA H 1 4.162 0.005 . 1 . . . . A 47 GLN HA . 34089 1 575 . 1 1 47 47 GLN HB2 H 1 2.199 0.001 . 2 . . . . A 47 GLN HB2 . 34089 1 576 . 1 1 47 47 GLN HB3 H 1 2.044 0.000 . 2 . . . . A 47 GLN HB3 . 34089 1 577 . 1 1 47 47 GLN HG2 H 1 2.383 0.002 . 2 . . . . A 47 GLN HG2 . 34089 1 578 . 1 1 47 47 GLN HG3 H 1 2.330 0.002 . 2 . . . . A 47 GLN HG3 . 34089 1 579 . 1 1 47 47 GLN HE21 H 1 7.582 0.015 . 2 . . . . A 47 GLN HE21 . 34089 1 580 . 1 1 47 47 GLN HE22 H 1 6.735 0.011 . 2 . . . . A 47 GLN HE22 . 34089 1 581 . 1 1 47 47 GLN C C 13 179.280 0.000 . 1 . . . . A 47 GLN C . 34089 1 582 . 1 1 47 47 GLN CA C 13 58.278 0.155 . 1 . . . . A 47 GLN CA . 34089 1 583 . 1 1 47 47 GLN CB C 13 29.008 0.016 . 1 . . . . A 47 GLN CB . 34089 1 584 . 1 1 47 47 GLN CG C 13 34.867 0.033 . 1 . . . . A 47 GLN CG . 34089 1 585 . 1 1 47 47 GLN CD C 13 179.594 0.009 . 1 . . . . A 47 GLN CD . 34089 1 586 . 1 1 47 47 GLN N N 15 119.255 0.012 . 1 . . . . A 47 GLN N . 34089 1 587 . 1 1 47 47 GLN NE2 N 15 112.622 0.215 . 1 . . . . A 47 GLN NE2 . 34089 1 588 . 1 1 48 48 MET H H 1 7.742 0.009 . 1 . . . . A 48 MET H . 34089 1 589 . 1 1 48 48 MET HA H 1 4.357 0.003 . 1 . . . . A 48 MET HA . 34089 1 590 . 1 1 48 48 MET HB2 H 1 2.037 0.004 . 2 . . . . A 48 MET HB2 . 34089 1 591 . 1 1 48 48 MET HB3 H 1 1.925 0.002 . 2 . . . . A 48 MET HB3 . 34089 1 592 . 1 1 48 48 MET HG2 H 1 2.434 0.003 . 1 . . . . A 48 MET HG2 . 34089 1 593 . 1 1 48 48 MET HG3 H 1 2.434 0.003 . 1 . . . . A 48 MET HG3 . 34089 1 594 . 1 1 48 48 MET HE1 H 1 2.045 0.000 . 1 . . . . A 48 MET HE1 . 34089 1 595 . 1 1 48 48 MET HE2 H 1 2.045 0.000 . 1 . . . . A 48 MET HE2 . 34089 1 596 . 1 1 48 48 MET HE3 H 1 2.045 0.000 . 1 . . . . A 48 MET HE3 . 34089 1 597 . 1 1 48 48 MET C C 13 176.972 0.000 . 1 . . . . A 48 MET C . 34089 1 598 . 1 1 48 48 MET CA C 13 56.545 0.048 . 1 . . . . A 48 MET CA . 34089 1 599 . 1 1 48 48 MET CB C 13 29.920 0.108 . 1 . . . . A 48 MET CB . 34089 1 600 . 1 1 48 48 MET CG C 13 31.629 0.040 . 1 . . . . A 48 MET CG . 34089 1 601 . 1 1 48 48 MET CE C 13 16.567 0.010 . 1 . . . . A 48 MET CE . 34089 1 602 . 1 1 48 48 MET N N 15 121.048 0.025 . 1 . . . . A 48 MET N . 34089 1 603 . 1 1 49 49 ASP H H 1 8.219 0.011 . 1 . . . . A 49 ASP H . 34089 1 604 . 1 1 49 49 ASP HA H 1 4.448 0.005 . 1 . . . . A 49 ASP HA . 34089 1 605 . 1 1 49 49 ASP HB2 H 1 2.794 0.004 . 2 . . . . A 49 ASP HB2 . 34089 1 606 . 1 1 49 49 ASP HB3 H 1 2.740 0.007 . 2 . . . . A 49 ASP HB3 . 34089 1 607 . 1 1 49 49 ASP C C 13 179.374 0.000 . 1 . . . . A 49 ASP C . 34089 1 608 . 1 1 49 49 ASP CA C 13 57.805 0.063 . 1 . . . . A 49 ASP CA . 34089 1 609 . 1 1 49 49 ASP CB C 13 39.996 0.104 . 1 . . . . A 49 ASP CB . 34089 1 610 . 1 1 49 49 ASP N N 15 119.343 0.012 . 1 . . . . A 49 ASP N . 34089 1 611 . 1 1 50 50 GLU H H 1 7.715 0.014 . 1 . . . . A 50 GLU H . 34089 1 612 . 1 1 50 50 GLU HA H 1 4.132 0.003 . 1 . . . . A 50 GLU HA . 34089 1 613 . 1 1 50 50 GLU HB2 H 1 2.124 0.004 . 1 . . . . A 50 GLU HB2 . 34089 1 614 . 1 1 50 50 GLU HB3 H 1 2.124 0.004 . 1 . . . . A 50 GLU HB3 . 34089 1 615 . 1 1 50 50 GLU HG2 H 1 2.503 0.005 . 1 . . . . A 50 GLU HG2 . 34089 1 616 . 1 1 50 50 GLU HG3 H 1 2.503 0.005 . 1 . . . . A 50 GLU HG3 . 34089 1 617 . 1 1 50 50 GLU C C 13 178.902 0.000 . 1 . . . . A 50 GLU C . 34089 1 618 . 1 1 50 50 GLU CA C 13 59.418 0.112 . 1 . . . . A 50 GLU CA . 34089 1 619 . 1 1 50 50 GLU CB C 13 29.580 0.000 . 1 . . . . A 50 GLU CB . 34089 1 620 . 1 1 50 50 GLU CG C 13 36.306 0.000 . 1 . . . . A 50 GLU CG . 34089 1 621 . 1 1 50 50 GLU N N 15 119.004 0.043 . 1 . . . . A 50 GLU N . 34089 1 622 . 1 1 51 51 TYR H H 1 7.655 0.007 . 1 . . . . A 51 TYR H . 34089 1 623 . 1 1 51 51 TYR HA H 1 4.838 0.003 . 1 . . . . A 51 TYR HA . 34089 1 624 . 1 1 51 51 TYR HB2 H 1 3.128 0.007 . 2 . . . . A 51 TYR HB2 . 34089 1 625 . 1 1 51 51 TYR HB3 H 1 3.085 0.002 . 2 . . . . A 51 TYR HB3 . 34089 1 626 . 1 1 51 51 TYR HD1 H 1 7.053 0.001 . 3 . . . . A 51 TYR HD1 . 34089 1 627 . 1 1 51 51 TYR HD2 H 1 7.053 0.001 . 3 . . . . A 51 TYR HD2 . 34089 1 628 . 1 1 51 51 TYR HE1 H 1 6.560 0.005 . 3 . . . . A 51 TYR HE1 . 34089 1 629 . 1 1 51 51 TYR HE2 H 1 6.560 0.005 . 3 . . . . A 51 TYR HE2 . 34089 1 630 . 1 1 51 51 TYR C C 13 177.466 0.000 . 1 . . . . A 51 TYR C . 34089 1 631 . 1 1 51 51 TYR CA C 13 59.774 0.032 . 1 . . . . A 51 TYR CA . 34089 1 632 . 1 1 51 51 TYR CB C 13 37.349 0.040 . 1 . . . . A 51 TYR CB . 34089 1 633 . 1 1 51 51 TYR CD1 C 13 132.375 0.000 . 3 . . . . A 51 TYR CD1 . 34089 1 634 . 1 1 51 51 TYR CD2 C 13 132.375 0.000 . 3 . . . . A 51 TYR CD2 . 34089 1 635 . 1 1 51 51 TYR CE1 C 13 117.529 0.011 . 3 . . . . A 51 TYR CE1 . 34089 1 636 . 1 1 51 51 TYR CE2 C 13 117.529 0.011 . 3 . . . . A 51 TYR CE2 . 34089 1 637 . 1 1 51 51 TYR N N 15 122.787 0.032 . 1 . . . . A 51 TYR N . 34089 1 638 . 1 1 52 52 TYR H H 1 8.659 0.014 . 1 . . . . A 52 TYR H . 34089 1 639 . 1 1 52 52 TYR HA H 1 4.299 0.007 . 1 . . . . A 52 TYR HA . 34089 1 640 . 1 1 52 52 TYR HB2 H 1 3.281 0.012 . 2 . . . . A 52 TYR HB2 . 34089 1 641 . 1 1 52 52 TYR HB3 H 1 3.188 0.013 . 2 . . . . A 52 TYR HB3 . 34089 1 642 . 1 1 52 52 TYR HD1 H 1 7.056 0.002 . 3 . . . . A 52 TYR HD1 . 34089 1 643 . 1 1 52 52 TYR HD2 H 1 7.056 0.002 . 3 . . . . A 52 TYR HD2 . 34089 1 644 . 1 1 52 52 TYR HE1 H 1 6.853 0.006 . 3 . . . . A 52 TYR HE1 . 34089 1 645 . 1 1 52 52 TYR HE2 H 1 6.853 0.006 . 3 . . . . A 52 TYR HE2 . 34089 1 646 . 1 1 52 52 TYR C C 13 180.162 0.000 . 1 . . . . A 52 TYR C . 34089 1 647 . 1 1 52 52 TYR CA C 13 58.556 0.034 . 1 . . . . A 52 TYR CA . 34089 1 648 . 1 1 52 52 TYR CB C 13 36.438 0.035 . 1 . . . . A 52 TYR CB . 34089 1 649 . 1 1 52 52 TYR CD1 C 13 132.066 0.000 . 3 . . . . A 52 TYR CD1 . 34089 1 650 . 1 1 52 52 TYR CD2 C 13 132.066 0.000 . 3 . . . . A 52 TYR CD2 . 34089 1 651 . 1 1 52 52 TYR CE1 C 13 117.944 0.036 . 3 . . . . A 52 TYR CE1 . 34089 1 652 . 1 1 52 52 TYR CE2 C 13 117.944 0.036 . 3 . . . . A 52 TYR CE2 . 34089 1 653 . 1 1 52 52 TYR N N 15 118.730 0.022 . 1 . . . . A 52 TYR N . 34089 1 654 . 1 1 53 53 GLU H H 1 8.141 0.007 . 1 . . . . A 53 GLU H . 34089 1 655 . 1 1 53 53 GLU HA H 1 4.090 0.000 . 1 . . . . A 53 GLU HA . 34089 1 656 . 1 1 53 53 GLU HB2 H 1 2.226 0.004 . 1 . . . . A 53 GLU HB2 . 34089 1 657 . 1 1 53 53 GLU HB3 H 1 2.226 0.004 . 1 . . . . A 53 GLU HB3 . 34089 1 658 . 1 1 53 53 GLU HG2 H 1 2.481 0.011 . 1 . . . . A 53 GLU HG2 . 34089 1 659 . 1 1 53 53 GLU HG3 H 1 2.481 0.011 . 1 . . . . A 53 GLU HG3 . 34089 1 660 . 1 1 53 53 GLU C C 13 178.806 0.000 . 1 . . . . A 53 GLU C . 34089 1 661 . 1 1 53 53 GLU CA C 13 59.475 0.000 . 1 . . . . A 53 GLU CA . 34089 1 662 . 1 1 53 53 GLU CB C 13 29.136 0.000 . 1 . . . . A 53 GLU CB . 34089 1 663 . 1 1 53 53 GLU CG C 13 36.000 0.000 . 1 . . . . A 53 GLU CG . 34089 1 664 . 1 1 53 53 GLU N N 15 120.614 0.027 . 1 . . . . A 53 GLU N . 34089 1 665 . 1 1 54 54 PHE H H 1 8.209 0.009 . 1 . . . . A 54 PHE H . 34089 1 666 . 1 1 54 54 PHE HA H 1 4.326 0.004 . 1 . . . . A 54 PHE HA . 34089 1 667 . 1 1 54 54 PHE HB2 H 1 3.512 0.002 . 2 . . . . A 54 PHE HB2 . 34089 1 668 . 1 1 54 54 PHE HB3 H 1 3.414 0.002 . 2 . . . . A 54 PHE HB3 . 34089 1 669 . 1 1 54 54 PHE HD1 H 1 7.275 0.002 . 3 . . . . A 54 PHE HD1 . 34089 1 670 . 1 1 54 54 PHE HD2 H 1 7.275 0.002 . 3 . . . . A 54 PHE HD2 . 34089 1 671 . 1 1 54 54 PHE HE1 H 1 7.490 0.008 . 3 . . . . A 54 PHE HE1 . 34089 1 672 . 1 1 54 54 PHE HE2 H 1 7.490 0.008 . 3 . . . . A 54 PHE HE2 . 34089 1 673 . 1 1 54 54 PHE HZ H 1 7.304 0.005 . 1 . . . . A 54 PHE HZ . 34089 1 674 . 1 1 54 54 PHE C C 13 177.375 0.000 . 1 . . . . A 54 PHE C . 34089 1 675 . 1 1 54 54 PHE CA C 13 60.963 0.102 . 1 . . . . A 54 PHE CA . 34089 1 676 . 1 1 54 54 PHE CB C 13 38.709 0.032 . 1 . . . . A 54 PHE CB . 34089 1 677 . 1 1 54 54 PHE CD1 C 13 132.354 0.047 . 3 . . . . A 54 PHE CD1 . 34089 1 678 . 1 1 54 54 PHE CD2 C 13 132.354 0.047 . 3 . . . . A 54 PHE CD2 . 34089 1 679 . 1 1 54 54 PHE CE1 C 13 131.960 0.083 . 3 . . . . A 54 PHE CE1 . 34089 1 680 . 1 1 54 54 PHE CE2 C 13 131.960 0.083 . 3 . . . . A 54 PHE CE2 . 34089 1 681 . 1 1 54 54 PHE CZ C 13 129.863 0.043 . 1 . . . . A 54 PHE CZ . 34089 1 682 . 1 1 54 54 PHE N N 15 123.495 0.022 . 1 . . . . A 54 PHE N . 34089 1 683 . 1 1 55 55 LEU H H 1 8.613 0.008 . 1 . . . . A 55 LEU H . 34089 1 684 . 1 1 55 55 LEU HA H 1 3.455 0.002 . 1 . . . . A 55 LEU HA . 34089 1 685 . 1 1 55 55 LEU HB2 H 1 1.898 0.003 . 2 . . . . A 55 LEU HB2 . 34089 1 686 . 1 1 55 55 LEU HB3 H 1 0.940 0.004 . 2 . . . . A 55 LEU HB3 . 34089 1 687 . 1 1 55 55 LEU HG H 1 1.170 0.006 . 1 . . . . A 55 LEU HG . 34089 1 688 . 1 1 55 55 LEU HD11 H 1 0.696 0.003 . 2 . . . . A 55 LEU HD11 . 34089 1 689 . 1 1 55 55 LEU HD12 H 1 0.696 0.003 . 2 . . . . A 55 LEU HD12 . 34089 1 690 . 1 1 55 55 LEU HD13 H 1 0.696 0.003 . 2 . . . . A 55 LEU HD13 . 34089 1 691 . 1 1 55 55 LEU HD21 H 1 0.471 0.011 . 2 . . . . A 55 LEU HD21 . 34089 1 692 . 1 1 55 55 LEU HD22 H 1 0.471 0.011 . 2 . . . . A 55 LEU HD22 . 34089 1 693 . 1 1 55 55 LEU HD23 H 1 0.471 0.011 . 2 . . . . A 55 LEU HD23 . 34089 1 694 . 1 1 55 55 LEU C C 13 179.541 0.000 . 1 . . . . A 55 LEU C . 34089 1 695 . 1 1 55 55 LEU CA C 13 58.071 0.012 . 1 . . . . A 55 LEU CA . 34089 1 696 . 1 1 55 55 LEU CB C 13 41.375 0.035 . 1 . . . . A 55 LEU CB . 34089 1 697 . 1 1 55 55 LEU CG C 13 26.656 0.019 . 1 . . . . A 55 LEU CG . 34089 1 698 . 1 1 55 55 LEU CD1 C 13 22.426 0.032 . 2 . . . . A 55 LEU CD1 . 34089 1 699 . 1 1 55 55 LEU CD2 C 13 27.578 0.028 . 2 . . . . A 55 LEU CD2 . 34089 1 700 . 1 1 55 55 LEU N N 15 120.575 0.019 . 1 . . . . A 55 LEU N . 34089 1 701 . 1 1 56 56 GLY H H 1 7.831 0.008 . 1 . . . . A 56 GLY H . 34089 1 702 . 1 1 56 56 GLY HA2 H 1 3.937 0.003 . 2 . . . . A 56 GLY HA2 . 34089 1 703 . 1 1 56 56 GLY HA3 H 1 3.901 0.001 . 2 . . . . A 56 GLY HA3 . 34089 1 704 . 1 1 56 56 GLY C C 13 178.271 0.000 . 1 . . . . A 56 GLY C . 34089 1 705 . 1 1 56 56 GLY CA C 13 47.443 0.079 . 1 . . . . A 56 GLY CA . 34089 1 706 . 1 1 56 56 GLY N N 15 105.878 0.021 . 1 . . . . A 56 GLY N . 34089 1 707 . 1 1 57 57 GLU H H 1 7.945 0.009 . 1 . . . . A 57 GLU H . 34089 1 708 . 1 1 57 57 GLU HA H 1 4.033 0.003 . 1 . . . . A 57 GLU HA . 34089 1 709 . 1 1 57 57 GLU HB2 H 1 2.205 0.007 . 2 . . . . A 57 GLU HB2 . 34089 1 710 . 1 1 57 57 GLU HB3 H 1 2.084 0.004 . 2 . . . . A 57 GLU HB3 . 34089 1 711 . 1 1 57 57 GLU HG2 H 1 2.456 0.004 . 1 . . . . A 57 GLU HG2 . 34089 1 712 . 1 1 57 57 GLU HG3 H 1 2.456 0.004 . 1 . . . . A 57 GLU HG3 . 34089 1 713 . 1 1 57 57 GLU C C 13 178.245 0.000 . 1 . . . . A 57 GLU C . 34089 1 714 . 1 1 57 57 GLU CA C 13 58.814 0.023 . 1 . . . . A 57 GLU CA . 34089 1 715 . 1 1 57 57 GLU CB C 13 29.044 0.184 . 1 . . . . A 57 GLU CB . 34089 1 716 . 1 1 57 57 GLU CG C 13 36.100 0.000 . 1 . . . . A 57 GLU CG . 34089 1 717 . 1 1 57 57 GLU N N 15 123.867 0.014 . 1 . . . . A 57 GLU N . 34089 1 718 . 1 1 58 58 GLN H H 1 7.537 0.007 . 1 . . . . A 58 GLN H . 34089 1 719 . 1 1 58 58 GLN HA H 1 4.011 0.004 . 1 . . . . A 58 GLN HA . 34089 1 720 . 1 1 58 58 GLN HB2 H 1 2.121 0.004 . 2 . . . . A 58 GLN HB2 . 34089 1 721 . 1 1 58 58 GLN HB3 H 1 1.717 0.001 . 2 . . . . A 58 GLN HB3 . 34089 1 722 . 1 1 58 58 GLN HG2 H 1 1.745 0.007 . 2 . . . . A 58 GLN HG2 . 34089 1 723 . 1 1 58 58 GLN HG3 H 1 1.343 0.005 . 2 . . . . A 58 GLN HG3 . 34089 1 724 . 1 1 58 58 GLN HE21 H 1 6.791 0.006 . 2 . . . . A 58 GLN HE21 . 34089 1 725 . 1 1 58 58 GLN HE22 H 1 6.499 0.012 . 2 . . . . A 58 GLN HE22 . 34089 1 726 . 1 1 58 58 GLN C C 13 175.422 0.000 . 1 . . . . A 58 GLN C . 34089 1 727 . 1 1 58 58 GLN CA C 13 54.474 0.044 . 1 . . . . A 58 GLN CA . 34089 1 728 . 1 1 58 58 GLN CB C 13 28.170 0.052 . 1 . . . . A 58 GLN CB . 34089 1 729 . 1 1 58 58 GLN CG C 13 33.223 0.022 . 1 . . . . A 58 GLN CG . 34089 1 730 . 1 1 58 58 GLN CD C 13 179.369 0.005 . 1 . . . . A 58 GLN CD . 34089 1 731 . 1 1 58 58 GLN N N 15 115.632 0.029 . 1 . . . . A 58 GLN N . 34089 1 732 . 1 1 58 58 GLN NE2 N 15 116.351 0.124 . 1 . . . . A 58 GLN NE2 . 34089 1 733 . 1 1 59 59 GLY H H 1 7.678 0.011 . 1 . . . . A 59 GLY H . 34089 1 734 . 1 1 59 59 GLY HA2 H 1 4.042 0.002 . 2 . . . . A 59 GLY HA2 . 34089 1 735 . 1 1 59 59 GLY HA3 H 1 3.675 0.003 . 2 . . . . A 59 GLY HA3 . 34089 1 736 . 1 1 59 59 GLY C C 13 173.713 0.000 . 1 . . . . A 59 GLY C . 34089 1 737 . 1 1 59 59 GLY CA C 13 45.609 0.019 . 1 . . . . A 59 GLY CA . 34089 1 738 . 1 1 59 59 GLY N N 15 106.797 0.015 . 1 . . . . A 59 GLY N . 34089 1 739 . 1 1 60 60 VAL H H 1 7.773 0.010 . 1 . . . . A 60 VAL H . 34089 1 740 . 1 1 60 60 VAL HA H 1 3.547 0.005 . 1 . . . . A 60 VAL HA . 34089 1 741 . 1 1 60 60 VAL HB H 1 1.654 0.004 . 1 . . . . A 60 VAL HB . 34089 1 742 . 1 1 60 60 VAL HG11 H 1 0.523 0.001 . 2 . . . . A 60 VAL HG11 . 34089 1 743 . 1 1 60 60 VAL HG12 H 1 0.523 0.001 . 2 . . . . A 60 VAL HG12 . 34089 1 744 . 1 1 60 60 VAL HG13 H 1 0.523 0.001 . 2 . . . . A 60 VAL HG13 . 34089 1 745 . 1 1 60 60 VAL HG21 H 1 0.507 0.001 . 2 . . . . A 60 VAL HG21 . 34089 1 746 . 1 1 60 60 VAL HG22 H 1 0.507 0.001 . 2 . . . . A 60 VAL HG22 . 34089 1 747 . 1 1 60 60 VAL HG23 H 1 0.507 0.001 . 2 . . . . A 60 VAL HG23 . 34089 1 748 . 1 1 60 60 VAL C C 13 174.513 0.000 . 1 . . . . A 60 VAL C . 34089 1 749 . 1 1 60 60 VAL CA C 13 61.938 0.030 . 1 . . . . A 60 VAL CA . 34089 1 750 . 1 1 60 60 VAL CB C 13 32.168 0.072 . 1 . . . . A 60 VAL CB . 34089 1 751 . 1 1 60 60 VAL CG1 C 13 20.936 0.048 . 2 . . . . A 60 VAL CG1 . 34089 1 752 . 1 1 60 60 VAL CG2 C 13 20.362 0.026 . 2 . . . . A 60 VAL CG2 . 34089 1 753 . 1 1 60 60 VAL N N 15 122.237 0.017 . 1 . . . . A 60 VAL N . 34089 1 754 . 1 1 61 61 GLU H H 1 7.884 0.007 . 1 . . . . A 61 GLU H . 34089 1 755 . 1 1 61 61 GLU HA H 1 4.097 0.004 . 1 . . . . A 61 GLU HA . 34089 1 756 . 1 1 61 61 GLU HB2 H 1 2.004 0.003 . 2 . . . . A 61 GLU HB2 . 34089 1 757 . 1 1 61 61 GLU HB3 H 1 1.914 0.004 . 2 . . . . A 61 GLU HB3 . 34089 1 758 . 1 1 61 61 GLU HG2 H 1 2.276 0.001 . 2 . . . . A 61 GLU HG2 . 34089 1 759 . 1 1 61 61 GLU HG3 H 1 2.122 0.003 . 2 . . . . A 61 GLU HG3 . 34089 1 760 . 1 1 61 61 GLU C C 13 173.766 0.000 . 1 . . . . A 61 GLU C . 34089 1 761 . 1 1 61 61 GLU CA C 13 56.009 0.034 . 1 . . . . A 61 GLU CA . 34089 1 762 . 1 1 61 61 GLU CB C 13 30.552 0.038 . 1 . . . . A 61 GLU CB . 34089 1 763 . 1 1 61 61 GLU CG C 13 35.840 0.051 . 1 . . . . A 61 GLU CG . 34089 1 764 . 1 1 61 61 GLU N N 15 128.498 0.010 . 1 . . . . A 61 GLU N . 34089 1 765 . 1 1 62 62 LEU H H 1 7.852 0.008 . 1 . . . . A 62 LEU H . 34089 1 766 . 1 1 62 62 LEU HA H 1 5.063 0.005 . 1 . . . . A 62 LEU HA . 34089 1 767 . 1 1 62 62 LEU HB2 H 1 1.312 0.002 . 2 . . . . A 62 LEU HB2 . 34089 1 768 . 1 1 62 62 LEU HB3 H 1 0.315 0.003 . 2 . . . . A 62 LEU HB3 . 34089 1 769 . 1 1 62 62 LEU HG H 1 1.204 0.007 . 1 . . . . A 62 LEU HG . 34089 1 770 . 1 1 62 62 LEU HD11 H 1 0.531 0.002 . 2 . . . . A 62 LEU HD11 . 34089 1 771 . 1 1 62 62 LEU HD12 H 1 0.531 0.002 . 2 . . . . A 62 LEU HD12 . 34089 1 772 . 1 1 62 62 LEU HD13 H 1 0.531 0.002 . 2 . . . . A 62 LEU HD13 . 34089 1 773 . 1 1 62 62 LEU HD21 H 1 0.339 0.003 . 2 . . . . A 62 LEU HD21 . 34089 1 774 . 1 1 62 62 LEU HD22 H 1 0.339 0.003 . 2 . . . . A 62 LEU HD22 . 34089 1 775 . 1 1 62 62 LEU HD23 H 1 0.339 0.003 . 2 . . . . A 62 LEU HD23 . 34089 1 776 . 1 1 62 62 LEU C C 13 176.695 0.000 . 1 . . . . A 62 LEU C . 34089 1 777 . 1 1 62 62 LEU CA C 13 53.222 0.057 . 1 . . . . A 62 LEU CA . 34089 1 778 . 1 1 62 62 LEU CB C 13 42.196 0.029 . 1 . . . . A 62 LEU CB . 34089 1 779 . 1 1 62 62 LEU CG C 13 26.854 0.003 . 1 . . . . A 62 LEU CG . 34089 1 780 . 1 1 62 62 LEU CD1 C 13 25.630 0.056 . 2 . . . . A 62 LEU CD1 . 34089 1 781 . 1 1 62 62 LEU CD2 C 13 24.615 0.045 . 2 . . . . A 62 LEU CD2 . 34089 1 782 . 1 1 62 62 LEU N N 15 124.466 0.012 . 1 . . . . A 62 LEU N . 34089 1 783 . 1 1 63 63 ILE H H 1 7.861 0.006 . 1 . . . . A 63 ILE H . 34089 1 784 . 1 1 63 63 ILE HA H 1 4.708 0.003 . 1 . . . . A 63 ILE HA . 34089 1 785 . 1 1 63 63 ILE HB H 1 1.839 0.006 . 1 . . . . A 63 ILE HB . 34089 1 786 . 1 1 63 63 ILE HG12 H 1 1.080 0.010 . 1 . . . . A 63 ILE HG12 . 34089 1 787 . 1 1 63 63 ILE HG13 H 1 0.764 0.004 . 1 . . . . A 63 ILE HG13 . 34089 1 788 . 1 1 63 63 ILE HG21 H 1 0.721 0.003 . 1 . . . . A 63 ILE HG21 . 34089 1 789 . 1 1 63 63 ILE HG22 H 1 0.721 0.003 . 1 . . . . A 63 ILE HG22 . 34089 1 790 . 1 1 63 63 ILE HG23 H 1 0.721 0.003 . 1 . . . . A 63 ILE HG23 . 34089 1 791 . 1 1 63 63 ILE HD11 H 1 0.665 0.002 . 1 . . . . A 63 ILE HD11 . 34089 1 792 . 1 1 63 63 ILE HD12 H 1 0.665 0.002 . 1 . . . . A 63 ILE HD12 . 34089 1 793 . 1 1 63 63 ILE HD13 H 1 0.665 0.002 . 1 . . . . A 63 ILE HD13 . 34089 1 794 . 1 1 63 63 ILE C C 13 174.597 0.000 . 1 . . . . A 63 ILE C . 34089 1 795 . 1 1 63 63 ILE CA C 13 58.838 0.130 . 1 . . . . A 63 ILE CA . 34089 1 796 . 1 1 63 63 ILE CB C 13 42.362 0.030 . 1 . . . . A 63 ILE CB . 34089 1 797 . 1 1 63 63 ILE CG1 C 13 26.057 0.064 . 1 . . . . A 63 ILE CG1 . 34089 1 798 . 1 1 63 63 ILE CG2 C 13 17.494 0.063 . 1 . . . . A 63 ILE CG2 . 34089 1 799 . 1 1 63 63 ILE CD1 C 13 13.363 0.074 . 1 . . . . A 63 ILE CD1 . 34089 1 800 . 1 1 63 63 ILE N N 15 117.569 0.029 . 1 . . . . A 63 ILE N . 34089 1 801 . 1 1 64 64 SER H H 1 8.631 0.009 . 1 . . . . A 64 SER H . 34089 1 802 . 1 1 64 64 SER HA H 1 5.475 0.010 . 1 . . . . A 64 SER HA . 34089 1 803 . 1 1 64 64 SER HB2 H 1 3.987 0.001 . 2 . . . . A 64 SER HB2 . 34089 1 804 . 1 1 64 64 SER HB3 H 1 3.937 0.008 . 2 . . . . A 64 SER HB3 . 34089 1 805 . 1 1 64 64 SER C C 13 175.593 0.000 . 1 . . . . A 64 SER C . 34089 1 806 . 1 1 64 64 SER CA C 13 57.047 0.032 . 1 . . . . A 64 SER CA . 34089 1 807 . 1 1 64 64 SER CB C 13 64.555 0.043 . 1 . . . . A 64 SER CB . 34089 1 808 . 1 1 64 64 SER N N 15 116.228 0.041 . 1 . . . . A 64 SER N . 34089 1 809 . 1 1 65 65 GLU H H 1 9.774 0.016 . 1 . . . . A 65 GLU H . 34089 1 810 . 1 1 65 65 GLU HA H 1 4.179 0.006 . 1 . . . . A 65 GLU HA . 34089 1 811 . 1 1 65 65 GLU HB2 H 1 1.987 0.005 . 1 . . . . A 65 GLU HB2 . 34089 1 812 . 1 1 65 65 GLU HB3 H 1 1.987 0.005 . 1 . . . . A 65 GLU HB3 . 34089 1 813 . 1 1 65 65 GLU HG2 H 1 2.311 0.003 . 2 . . . . A 65 GLU HG2 . 34089 1 814 . 1 1 65 65 GLU HG3 H 1 2.263 0.002 . 2 . . . . A 65 GLU HG3 . 34089 1 815 . 1 1 65 65 GLU C C 13 176.352 0.000 . 1 . . . . A 65 GLU C . 34089 1 816 . 1 1 65 65 GLU CA C 13 57.979 0.100 . 1 . . . . A 65 GLU CA . 34089 1 817 . 1 1 65 65 GLU CB C 13 29.972 0.035 . 1 . . . . A 65 GLU CB . 34089 1 818 . 1 1 65 65 GLU CG C 13 36.017 0.082 . 1 . . . . A 65 GLU CG . 34089 1 819 . 1 1 65 65 GLU N N 15 127.276 0.039 . 1 . . . . A 65 GLU N . 34089 1 820 . 1 1 66 66 ASN H H 1 8.418 0.006 . 1 . . . . A 66 ASN H . 34089 1 821 . 1 1 66 66 ASN HA H 1 4.716 0.004 . 1 . . . . A 66 ASN HA . 34089 1 822 . 1 1 66 66 ASN HB2 H 1 2.830 0.005 . 2 . . . . A 66 ASN HB2 . 34089 1 823 . 1 1 66 66 ASN HB3 H 1 2.716 0.007 . 2 . . . . A 66 ASN HB3 . 34089 1 824 . 1 1 66 66 ASN HD21 H 1 7.609 0.013 . 1 . . . . A 66 ASN HD21 . 34089 1 825 . 1 1 66 66 ASN HD22 H 1 6.965 0.011 . 1 . . . . A 66 ASN HD22 . 34089 1 826 . 1 1 66 66 ASN C C 13 175.018 0.000 . 1 . . . . A 66 ASN C . 34089 1 827 . 1 1 66 66 ASN CA C 13 53.363 0.041 . 1 . . . . A 66 ASN CA . 34089 1 828 . 1 1 66 66 ASN CB C 13 39.308 0.070 . 1 . . . . A 66 ASN CB . 34089 1 829 . 1 1 66 66 ASN CG C 13 176.853 0.009 . 1 . . . . A 66 ASN CG . 34089 1 830 . 1 1 66 66 ASN N N 15 118.192 0.059 . 1 . . . . A 66 ASN N . 34089 1 831 . 1 1 66 66 ASN ND2 N 15 113.244 0.202 . 1 . . . . A 66 ASN ND2 . 34089 1 832 . 1 1 67 67 GLU H H 1 8.245 0.018 . 1 . . . . A 67 GLU H . 34089 1 833 . 1 1 67 67 GLU HA H 1 4.256 0.006 . 1 . . . . A 67 GLU HA . 34089 1 834 . 1 1 67 67 GLU HB2 H 1 2.089 0.010 . 2 . . . . A 67 GLU HB2 . 34089 1 835 . 1 1 67 67 GLU HB3 H 1 2.015 0.001 . 2 . . . . A 67 GLU HB3 . 34089 1 836 . 1 1 67 67 GLU HG2 H 1 2.284 0.001 . 1 . . . . A 67 GLU HG2 . 34089 1 837 . 1 1 67 67 GLU HG3 H 1 2.284 0.001 . 1 . . . . A 67 GLU HG3 . 34089 1 838 . 1 1 67 67 GLU C C 13 176.463 0.000 . 1 . . . . A 67 GLU C . 34089 1 839 . 1 1 67 67 GLU CA C 13 56.966 0.031 . 1 . . . . A 67 GLU CA . 34089 1 840 . 1 1 67 67 GLU CB C 13 30.310 0.000 . 1 . . . . A 67 GLU CB . 34089 1 841 . 1 1 67 67 GLU CG C 13 36.100 0.000 . 1 . . . . A 67 GLU CG . 34089 1 842 . 1 1 67 67 GLU N N 15 121.223 0.026 . 1 . . . . A 67 GLU N . 34089 1 843 . 1 1 68 68 GLU H H 1 8.369 0.018 . 1 . . . . A 68 GLU H . 34089 1 844 . 1 1 68 68 GLU HA H 1 4.313 0.002 . 1 . . . . A 68 GLU HA . 34089 1 845 . 1 1 68 68 GLU HB2 H 1 2.075 0.003 . 2 . . . . A 68 GLU HB2 . 34089 1 846 . 1 1 68 68 GLU HB3 H 1 1.969 0.003 . 2 . . . . A 68 GLU HB3 . 34089 1 847 . 1 1 68 68 GLU HG2 H 1 2.263 0.009 . 1 . . . . A 68 GLU HG2 . 34089 1 848 . 1 1 68 68 GLU HG3 H 1 2.263 0.009 . 1 . . . . A 68 GLU HG3 . 34089 1 849 . 1 1 68 68 GLU C C 13 176.631 0.000 . 1 . . . . A 68 GLU C . 34089 1 850 . 1 1 68 68 GLU CA C 13 56.991 0.127 . 1 . . . . A 68 GLU CA . 34089 1 851 . 1 1 68 68 GLU CB C 13 30.130 0.000 . 1 . . . . A 68 GLU CB . 34089 1 852 . 1 1 68 68 GLU CG C 13 36.100 0.000 . 1 . . . . A 68 GLU CG . 34089 1 853 . 1 1 68 68 GLU N N 15 121.751 0.100 . 1 . . . . A 68 GLU N . 34089 1 854 . 1 1 69 69 THR H H 1 8.101 0.027 . 1 . . . . A 69 THR H . 34089 1 855 . 1 1 69 69 THR HA H 1 4.301 0.014 . 1 . . . . A 69 THR HA . 34089 1 856 . 1 1 69 69 THR HB H 1 4.236 0.010 . 1 . . . . A 69 THR HB . 34089 1 857 . 1 1 69 69 THR HG21 H 1 1.168 0.003 . 1 . . . . A 69 THR HG21 . 34089 1 858 . 1 1 69 69 THR HG22 H 1 1.168 0.003 . 1 . . . . A 69 THR HG22 . 34089 1 859 . 1 1 69 69 THR HG23 H 1 1.168 0.003 . 1 . . . . A 69 THR HG23 . 34089 1 860 . 1 1 69 69 THR C C 13 174.528 0.000 . 1 . . . . A 69 THR C . 34089 1 861 . 1 1 69 69 THR CA C 13 62.127 0.012 . 1 . . . . A 69 THR CA . 34089 1 862 . 1 1 69 69 THR CB C 13 69.744 0.024 . 1 . . . . A 69 THR CB . 34089 1 863 . 1 1 69 69 THR CG2 C 13 21.679 0.034 . 1 . . . . A 69 THR CG2 . 34089 1 864 . 1 1 69 69 THR N N 15 114.972 0.126 . 1 . . . . A 69 THR N . 34089 1 865 . 1 1 70 70 GLU H H 1 8.408 0.003 . 1 . . . . A 70 GLU H . 34089 1 866 . 1 1 70 70 GLU HA H 1 4.273 0.018 . 1 . . . . A 70 GLU HA . 34089 1 867 . 1 1 70 70 GLU HB2 H 1 2.012 0.000 . 2 . . . . A 70 GLU HB2 . 34089 1 868 . 1 1 70 70 GLU HB3 H 1 1.952 0.010 . 2 . . . . A 70 GLU HB3 . 34089 1 869 . 1 1 70 70 GLU HG2 H 1 2.237 0.003 . 1 . . . . A 70 GLU HG2 . 34089 1 870 . 1 1 70 70 GLU HG3 H 1 2.237 0.003 . 1 . . . . A 70 GLU HG3 . 34089 1 871 . 1 1 70 70 GLU C C 13 175.943 0.000 . 1 . . . . A 70 GLU C . 34089 1 872 . 1 1 70 70 GLU CA C 13 56.975 0.000 . 1 . . . . A 70 GLU CA . 34089 1 873 . 1 1 70 70 GLU CB C 13 30.280 0.000 . 1 . . . . A 70 GLU CB . 34089 1 874 . 1 1 70 70 GLU CG C 13 36.000 0.000 . 1 . . . . A 70 GLU CG . 34089 1 875 . 1 1 70 70 GLU N N 15 123.143 0.102 . 1 . . . . A 70 GLU N . 34089 1 876 . 1 1 71 71 ASP H H 1 8.374 0.005 . 1 . . . . A 71 ASP H . 34089 1 877 . 1 1 71 71 ASP HA H 1 4.590 0.006 . 1 . . . . A 71 ASP HA . 34089 1 878 . 1 1 71 71 ASP HB2 H 1 2.724 0.003 . 2 . . . . A 71 ASP HB2 . 34089 1 879 . 1 1 71 71 ASP HB3 H 1 2.668 0.016 . 2 . . . . A 71 ASP HB3 . 34089 1 880 . 1 1 71 71 ASP C C 13 176.355 0.000 . 1 . . . . A 71 ASP C . 34089 1 881 . 1 1 71 71 ASP CA C 13 54.043 0.038 . 1 . . . . A 71 ASP CA . 34089 1 882 . 1 1 71 71 ASP CB C 13 40.982 0.039 . 1 . . . . A 71 ASP CB . 34089 1 883 . 1 1 71 71 ASP N N 15 121.449 0.119 . 1 . . . . A 71 ASP N . 34089 1 884 . 1 1 72 72 LEU H H 1 8.185 0.007 . 1 . . . . A 72 LEU H . 34089 1 885 . 1 1 72 72 LEU HA H 1 4.067 0.001 . 1 . . . . A 72 LEU HA . 34089 1 886 . 1 1 72 72 LEU HB2 H 1 1.630 0.010 . 2 . . . . A 72 LEU HB2 . 34089 1 887 . 1 1 72 72 LEU HB3 H 1 1.510 0.005 . 2 . . . . A 72 LEU HB3 . 34089 1 888 . 1 1 72 72 LEU HG H 1 1.596 0.002 . 1 . . . . A 72 LEU HG . 34089 1 889 . 1 1 72 72 LEU HD11 H 1 0.877 0.003 . 2 . . . . A 72 LEU HD11 . 34089 1 890 . 1 1 72 72 LEU HD12 H 1 0.877 0.003 . 2 . . . . A 72 LEU HD12 . 34089 1 891 . 1 1 72 72 LEU HD13 H 1 0.877 0.003 . 2 . . . . A 72 LEU HD13 . 34089 1 892 . 1 1 72 72 LEU HD21 H 1 0.808 0.002 . 2 . . . . A 72 LEU HD21 . 34089 1 893 . 1 1 72 72 LEU HD22 H 1 0.808 0.002 . 2 . . . . A 72 LEU HD22 . 34089 1 894 . 1 1 72 72 LEU HD23 H 1 0.808 0.002 . 2 . . . . A 72 LEU HD23 . 34089 1 895 . 1 1 72 72 LEU C C 13 177.956 0.000 . 1 . . . . A 72 LEU C . 34089 1 896 . 1 1 72 72 LEU CA C 13 56.446 0.022 . 1 . . . . A 72 LEU CA . 34089 1 897 . 1 1 72 72 LEU CB C 13 42.065 0.056 . 1 . . . . A 72 LEU CB . 34089 1 898 . 1 1 72 72 LEU CG C 13 27.005 0.007 . 1 . . . . A 72 LEU CG . 34089 1 899 . 1 1 72 72 LEU CD1 C 13 25.191 0.184 . 2 . . . . A 72 LEU CD1 . 34089 1 900 . 1 1 72 72 LEU CD2 C 13 23.328 0.020 . 2 . . . . A 72 LEU CD2 . 34089 1 901 . 1 1 72 72 LEU N N 15 122.667 0.096 . 1 . . . . A 72 LEU N . 34089 1 902 . 1 1 73 73 GLU H H 1 8.241 0.007 . 1 . . . . A 73 GLU H . 34089 1 903 . 1 1 73 73 GLU HA H 1 4.072 0.003 . 1 . . . . A 73 GLU HA . 34089 1 904 . 1 1 73 73 GLU HB2 H 1 1.812 0.003 . 2 . . . . A 73 GLU HB2 . 34089 1 905 . 1 1 73 73 GLU HB3 H 1 1.793 0.002 . 2 . . . . A 73 GLU HB3 . 34089 1 906 . 1 1 73 73 GLU HG2 H 1 2.148 0.010 . 2 . . . . A 73 GLU HG2 . 34089 1 907 . 1 1 73 73 GLU HG3 H 1 2.059 0.001 . 2 . . . . A 73 GLU HG3 . 34089 1 908 . 1 1 73 73 GLU C C 13 176.499 0.000 . 1 . . . . A 73 GLU C . 34089 1 909 . 1 1 73 73 GLU CA C 13 57.114 0.019 . 1 . . . . A 73 GLU CA . 34089 1 910 . 1 1 73 73 GLU CB C 13 29.781 0.033 . 1 . . . . A 73 GLU CB . 34089 1 911 . 1 1 73 73 GLU CG C 13 36.136 0.008 . 1 . . . . A 73 GLU CG . 34089 1 912 . 1 1 73 73 GLU N N 15 119.119 0.199 . 1 . . . . A 73 GLU N . 34089 1 stop_ save_