data_34887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34887 _Entry.Title ; the C-terminal domain of TonB protein from Salmonella enterica. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-07 _Entry.Accession_date 2023-12-07 _Entry.Last_release_date 2024-01-04 _Entry.Original_release_date 2024-01-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 H. Iwai H. . . . 34887 2 A. Ciragan A. . . . 34887 3 J. Oeemig J. S. . . 34887 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 34887 'TRANSPORT PROTEIN' . 34887 TonB . 34887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 34887 '15N chemical shifts' 95 34887 '1H chemical shifts' 642 34887 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-01-11 . original BMRB . 34887 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8RD6 'BMRB Entry Tracking System' 34887 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34887 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; the C-terminal domain of TonB protein from Salmonella enterica. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 H. Iwai H. . . . 34887 1 2 A. Ciragan A. . . . 34887 1 3 J. Oeemig J. S. . . 34887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34887 _Assembly.ID 1 _Assembly.Name 'Protein TonB' _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 unit_1 1 $entity_1 A A yes . . . . . . 34887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34887 _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 ; STGPRALSRNQPQYPARAQA LRIEGRVKVKFDVTSAGRVE NVQILSAQPANMFEREVKNA MRKWRYEAGKPGSGLVVNII FRLNGTAQIE ; _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 90 _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 10054.522 _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 . SER . 34887 1 2 . THR . 34887 1 3 . GLY . 34887 1 4 . PRO . 34887 1 5 . ARG . 34887 1 6 . ALA . 34887 1 7 . LEU . 34887 1 8 . SER . 34887 1 9 . ARG . 34887 1 10 . ASN . 34887 1 11 . GLN . 34887 1 12 . PRO . 34887 1 13 . GLN . 34887 1 14 . TYR . 34887 1 15 . PRO . 34887 1 16 . ALA . 34887 1 17 . ARG . 34887 1 18 . ALA . 34887 1 19 . GLN . 34887 1 20 . ALA . 34887 1 21 . LEU . 34887 1 22 . ARG . 34887 1 23 . ILE . 34887 1 24 . GLU . 34887 1 25 . GLY . 34887 1 26 . ARG . 34887 1 27 . VAL . 34887 1 28 . LYS . 34887 1 29 . VAL . 34887 1 30 . LYS . 34887 1 31 . PHE . 34887 1 32 . ASP . 34887 1 33 . VAL . 34887 1 34 . THR . 34887 1 35 . SER . 34887 1 36 . ALA . 34887 1 37 . GLY . 34887 1 38 . ARG . 34887 1 39 . VAL . 34887 1 40 . GLU . 34887 1 41 . ASN . 34887 1 42 . VAL . 34887 1 43 . GLN . 34887 1 44 . ILE . 34887 1 45 . LEU . 34887 1 46 . SER . 34887 1 47 . ALA . 34887 1 48 . GLN . 34887 1 49 . PRO . 34887 1 50 . ALA . 34887 1 51 . ASN . 34887 1 52 . MET . 34887 1 53 . PHE . 34887 1 54 . GLU . 34887 1 55 . ARG . 34887 1 56 . GLU . 34887 1 57 . VAL . 34887 1 58 . LYS . 34887 1 59 . ASN . 34887 1 60 . ALA . 34887 1 61 . MET . 34887 1 62 . ARG . 34887 1 63 . LYS . 34887 1 64 . TRP . 34887 1 65 . ARG . 34887 1 66 . TYR . 34887 1 67 . GLU . 34887 1 68 . ALA . 34887 1 69 . GLY . 34887 1 70 . LYS . 34887 1 71 . PRO . 34887 1 72 . GLY . 34887 1 73 . SER . 34887 1 74 . GLY . 34887 1 75 . LEU . 34887 1 76 . VAL . 34887 1 77 . VAL . 34887 1 78 . ASN . 34887 1 79 . ILE . 34887 1 80 . ILE . 34887 1 81 . PHE . 34887 1 82 . ARG . 34887 1 83 . LEU . 34887 1 84 . ASN . 34887 1 85 . GLY . 34887 1 86 . THR . 34887 1 87 . ALA . 34887 1 88 . GLN . 34887 1 89 . ILE . 34887 1 90 . GLU . 34887 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 . SER 1 1 34887 1 . THR 2 2 34887 1 . GLY 3 3 34887 1 . PRO 4 4 34887 1 . ARG 5 5 34887 1 . ALA 6 6 34887 1 . LEU 7 7 34887 1 . SER 8 8 34887 1 . ARG 9 9 34887 1 . ASN 10 10 34887 1 . GLN 11 11 34887 1 . PRO 12 12 34887 1 . GLN 13 13 34887 1 . TYR 14 14 34887 1 . PRO 15 15 34887 1 . ALA 16 16 34887 1 . ARG 17 17 34887 1 . ALA 18 18 34887 1 . GLN 19 19 34887 1 . ALA 20 20 34887 1 . LEU 21 21 34887 1 . ARG 22 22 34887 1 . ILE 23 23 34887 1 . GLU 24 24 34887 1 . GLY 25 25 34887 1 . ARG 26 26 34887 1 . VAL 27 27 34887 1 . LYS 28 28 34887 1 . VAL 29 29 34887 1 . LYS 30 30 34887 1 . PHE 31 31 34887 1 . ASP 32 32 34887 1 . VAL 33 33 34887 1 . THR 34 34 34887 1 . SER 35 35 34887 1 . ALA 36 36 34887 1 . GLY 37 37 34887 1 . ARG 38 38 34887 1 . VAL 39 39 34887 1 . GLU 40 40 34887 1 . ASN 41 41 34887 1 . VAL 42 42 34887 1 . GLN 43 43 34887 1 . ILE 44 44 34887 1 . LEU 45 45 34887 1 . SER 46 46 34887 1 . ALA 47 47 34887 1 . GLN 48 48 34887 1 . PRO 49 49 34887 1 . ALA 50 50 34887 1 . ASN 51 51 34887 1 . MET 52 52 34887 1 . PHE 53 53 34887 1 . GLU 54 54 34887 1 . ARG 55 55 34887 1 . GLU 56 56 34887 1 . VAL 57 57 34887 1 . LYS 58 58 34887 1 . ASN 59 59 34887 1 . ALA 60 60 34887 1 . MET 61 61 34887 1 . ARG 62 62 34887 1 . LYS 63 63 34887 1 . TRP 64 64 34887 1 . ARG 65 65 34887 1 . TYR 66 66 34887 1 . GLU 67 67 34887 1 . ALA 68 68 34887 1 . GLY 69 69 34887 1 . LYS 70 70 34887 1 . PRO 71 71 34887 1 . GLY 72 72 34887 1 . SER 73 73 34887 1 . GLY 74 74 34887 1 . LEU 75 75 34887 1 . VAL 76 76 34887 1 . VAL 77 77 34887 1 . ASN 78 78 34887 1 . ILE 79 79 34887 1 . ILE 80 80 34887 1 . PHE 81 81 34887 1 . ARG 82 82 34887 1 . LEU 83 83 34887 1 . ASN 84 84 34887 1 . GLY 85 85 34887 1 . THR 86 86 34887 1 . ALA 87 87 34887 1 . GLN 88 88 34887 1 . ILE 89 89 34887 1 . GLU 90 90 34887 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 34887 _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 . 28901 organism . 'Salmonella enterica' 'Salmonella enterica' . . Bacteria . Salmonella enterica . . . . . . . . . . . 'tonB, STM1737' . 34887 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 34887 _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 B' . . 37762 . . . . . . . . pRSF . . . 34887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34887 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.1 mM [U-100% 13C; U-100% 15N] TonB-CTD(154-242), 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 TonB-CTD(154-242) '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.1 . . mM 0.2 . . . 34887 1 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 34887 _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' 20 . mM 34887 1 pH 6 . pH 34887 1 pressure 1 . atm 34887 1 temperature 298 . K 34887 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34887 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guentert . . 34887 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34887 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34887 _Software.ID 2 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34887 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34887 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34887 _Software.ID 3 _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' . . 34887 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34887 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34887 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34887 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34887 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34887 _Software.ID 5 _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' . . 34887 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34887 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34887 _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' . . 34887 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34887 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 34887 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34887 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34887 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34887 _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 Varian INOVA . 800 . . . 34887 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 34887 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 950 . . . 34887 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 34887 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34887 1 2 NOESY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34887 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 34887 _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 0.000 internal indirect 0.251449530 . . . . . 34887 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34887 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34887 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 34887 _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 NOESY . . . 34887 1 2 NOESY . . . 34887 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 THR HA H 1 4.382 0.009 . 1 . . . . A 2 THR HA . 34887 1 2 . 1 . 1 2 2 THR HB H 1 4.252 0.015 . 1 . . . . A 2 THR HB . 34887 1 3 . 1 . 1 2 2 THR HG21 H 1 1.207 0.011 . 1 . . . . A 2 THR HG21 . 34887 1 4 . 1 . 1 2 2 THR HG22 H 1 1.207 0.011 . 1 . . . . A 2 THR HG22 . 34887 1 5 . 1 . 1 2 2 THR HG23 H 1 1.207 0.011 . 1 . . . . A 2 THR HG23 . 34887 1 6 . 1 . 1 2 2 THR C C 13 174.583 0.014 . 1 . . . . A 2 THR C . 34887 1 7 . 1 . 1 2 2 THR CA C 13 61.864 0.021 . 1 . . . . A 2 THR CA . 34887 1 8 . 1 . 1 2 2 THR CB C 13 69.941 0.037 . 1 . . . . A 2 THR CB . 34887 1 9 . 1 . 1 2 2 THR CG2 C 13 21.415 0.010 . 1 . . . . A 2 THR CG2 . 34887 1 10 . 1 . 1 3 3 GLY H H 1 8.310 0.005 . 1 . . . . A 3 GLY H . 34887 1 11 . 1 . 1 3 3 GLY HA2 H 1 4.107 0.003 . 2 . . . . A 3 GLY HA2 . 34887 1 12 . 1 . 1 3 3 GLY HA3 H 1 4.001 0.001 . 2 . . . . A 3 GLY HA3 . 34887 1 13 . 1 . 1 3 3 GLY C C 13 170.874 0.000 . 1 . . . . A 3 GLY C . 34887 1 14 . 1 . 1 3 3 GLY CA C 13 44.471 0.017 . 1 . . . . A 3 GLY CA . 34887 1 15 . 1 . 1 3 3 GLY N N 15 111.204 0.016 . 1 . . . . A 3 GLY N . 34887 1 16 . 1 . 1 4 4 PRO HA H 1 4.516 0.016 . 1 . . . . A 4 PRO HA . 34887 1 17 . 1 . 1 4 4 PRO HB2 H 1 1.824 0.011 . 2 . . . . A 4 PRO HB2 . 34887 1 18 . 1 . 1 4 4 PRO HB3 H 1 2.455 0.010 . 2 . . . . A 4 PRO HB3 . 34887 1 19 . 1 . 1 4 4 PRO HG2 H 1 1.840 0.000 . 2 . . . . A 4 PRO HG2 . 34887 1 20 . 1 . 1 4 4 PRO HG3 H 1 1.784 0.000 . 2 . . . . A 4 PRO HG3 . 34887 1 21 . 1 . 1 4 4 PRO HD2 H 1 3.454 0.005 . 2 . . . . A 4 PRO HD2 . 34887 1 22 . 1 . 1 4 4 PRO HD3 H 1 3.591 0.006 . 2 . . . . A 4 PRO HD3 . 34887 1 23 . 1 . 1 4 4 PRO C C 13 176.450 0.031 . 1 . . . . A 4 PRO C . 34887 1 24 . 1 . 1 4 4 PRO CA C 13 63.138 0.029 . 1 . . . . A 4 PRO CA . 34887 1 25 . 1 . 1 4 4 PRO CB C 13 32.708 0.053 . 1 . . . . A 4 PRO CB . 34887 1 26 . 1 . 1 4 4 PRO CG C 13 27.089 0.022 . 1 . . . . A 4 PRO CG . 34887 1 27 . 1 . 1 4 4 PRO CD C 13 49.666 0.091 . 1 . . . . A 4 PRO CD . 34887 1 28 . 1 . 1 5 5 ARG H H 1 9.044 0.005 . 1 . . . . A 5 ARG H . 34887 1 29 . 1 . 1 5 5 ARG HA H 1 4.500 0.003 . 1 . . . . A 5 ARG HA . 34887 1 30 . 1 . 1 5 5 ARG HB2 H 1 1.743 0.004 . 2 . . . . A 5 ARG HB2 . 34887 1 31 . 1 . 1 5 5 ARG HB3 H 1 1.622 0.005 . 2 . . . . A 5 ARG HB3 . 34887 1 32 . 1 . 1 5 5 ARG HG2 H 1 1.477 0.003 . 2 . . . . A 5 ARG HG2 . 34887 1 33 . 1 . 1 5 5 ARG HG3 H 1 1.594 0.006 . 2 . . . . A 5 ARG HG3 . 34887 1 34 . 1 . 1 5 5 ARG HD2 H 1 3.148 0.002 . 2 . . . . A 5 ARG HD2 . 34887 1 35 . 1 . 1 5 5 ARG HD3 H 1 3.148 0.002 . 2 . . . . A 5 ARG HD3 . 34887 1 36 . 1 . 1 5 5 ARG C C 13 174.565 0.010 . 1 . . . . A 5 ARG C . 34887 1 37 . 1 . 1 5 5 ARG CA C 13 55.198 0.039 . 1 . . . . A 5 ARG CA . 34887 1 38 . 1 . 1 5 5 ARG CB C 13 32.568 0.031 . 1 . . . . A 5 ARG CB . 34887 1 39 . 1 . 1 5 5 ARG CG C 13 27.242 0.020 . 1 . . . . A 5 ARG CG . 34887 1 40 . 1 . 1 5 5 ARG CD C 13 43.490 0.000 . 1 . . . . A 5 ARG CD . 34887 1 41 . 1 . 1 5 5 ARG N N 15 123.638 0.022 . 1 . . . . A 5 ARG N . 34887 1 42 . 1 . 1 6 6 ALA H H 1 8.666 0.004 . 1 . . . . A 6 ALA H . 34887 1 43 . 1 . 1 6 6 ALA HA H 1 2.946 0.009 . 1 . . . . A 6 ALA HA . 34887 1 44 . 1 . 1 6 6 ALA HB1 H 1 0.606 0.016 . 1 . . . . A 6 ALA HB1 . 34887 1 45 . 1 . 1 6 6 ALA HB2 H 1 0.606 0.016 . 1 . . . . A 6 ALA HB2 . 34887 1 46 . 1 . 1 6 6 ALA HB3 H 1 0.606 0.016 . 1 . . . . A 6 ALA HB3 . 34887 1 47 . 1 . 1 6 6 ALA C C 13 176.514 0.024 . 1 . . . . A 6 ALA C . 34887 1 48 . 1 . 1 6 6 ALA CA C 13 52.640 0.020 . 1 . . . . A 6 ALA CA . 34887 1 49 . 1 . 1 6 6 ALA CB C 13 18.010 0.031 . 1 . . . . A 6 ALA CB . 34887 1 50 . 1 . 1 6 6 ALA N N 15 129.007 0.027 . 1 . . . . A 6 ALA N . 34887 1 51 . 1 . 1 7 7 LEU H H 1 8.642 0.001 . 1 . . . . A 7 LEU H . 34887 1 52 . 1 . 1 7 7 LEU HA H 1 4.350 0.003 . 1 . . . . A 7 LEU HA . 34887 1 53 . 1 . 1 7 7 LEU HB2 H 1 1.303 0.000 . 2 . . . . A 7 LEU HB2 . 34887 1 54 . 1 . 1 7 7 LEU HB3 H 1 1.286 0.015 . 2 . . . . A 7 LEU HB3 . 34887 1 55 . 1 . 1 7 7 LEU HG H 1 1.352 0.002 . 1 . . . . A 7 LEU HG . 34887 1 56 . 1 . 1 7 7 LEU HD11 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD11 . 34887 1 57 . 1 . 1 7 7 LEU HD12 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD12 . 34887 1 58 . 1 . 1 7 7 LEU HD13 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD13 . 34887 1 59 . 1 . 1 7 7 LEU HD21 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD21 . 34887 1 60 . 1 . 1 7 7 LEU HD22 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD22 . 34887 1 61 . 1 . 1 7 7 LEU HD23 H 1 0.724 0.003 . 2 . . . . A 7 LEU HD23 . 34887 1 62 . 1 . 1 7 7 LEU C C 13 177.567 0.029 . 1 . . . . A 7 LEU C . 34887 1 63 . 1 . 1 7 7 LEU CA C 13 55.479 0.024 . 1 . . . . A 7 LEU CA . 34887 1 64 . 1 . 1 7 7 LEU CB C 13 43.042 0.039 . 1 . . . . A 7 LEU CB . 34887 1 65 . 1 . 1 7 7 LEU CG C 13 27.079 0.000 . 1 . . . . A 7 LEU CG . 34887 1 66 . 1 . 1 7 7 LEU CD1 C 13 22.265 0.000 . 1 . . . . A 7 LEU CD1 . 34887 1 67 . 1 . 1 7 7 LEU CD2 C 13 25.669 0.064 . 1 . . . . A 7 LEU CD2 . 34887 1 68 . 1 . 1 7 7 LEU N N 15 122.165 0.015 . 1 . . . . A 7 LEU N . 34887 1 69 . 1 . 1 8 8 SER H H 1 7.891 0.005 . 1 . . . . A 8 SER H . 34887 1 70 . 1 . 1 8 8 SER HA H 1 4.194 0.016 . 1 . . . . A 8 SER HA . 34887 1 71 . 1 . 1 8 8 SER HB2 H 1 3.590 0.008 . 2 . . . . A 8 SER HB2 . 34887 1 72 . 1 . 1 8 8 SER HB3 H 1 3.633 0.010 . 2 . . . . A 8 SER HB3 . 34887 1 73 . 1 . 1 8 8 SER C C 13 172.787 0.047 . 1 . . . . A 8 SER C . 34887 1 74 . 1 . 1 8 8 SER CA C 13 57.612 0.088 . 1 . . . . A 8 SER CA . 34887 1 75 . 1 . 1 8 8 SER CB C 13 63.956 0.000 . 1 . . . . A 8 SER CB . 34887 1 76 . 1 . 1 8 8 SER N N 15 112.213 0.025 . 1 . . . . A 8 SER N . 34887 1 77 . 1 . 1 9 9 ARG H H 1 8.438 0.002 . 1 . . . . A 9 ARG H . 34887 1 78 . 1 . 1 9 9 ARG HA H 1 3.487 0.001 . 1 . . . . A 9 ARG HA . 34887 1 79 . 1 . 1 9 9 ARG HB2 H 1 -0.586 0.002 . 2 . . . . A 9 ARG HB2 . 34887 1 80 . 1 . 1 9 9 ARG HB3 H 1 1.036 0.001 . 2 . . . . A 9 ARG HB3 . 34887 1 81 . 1 . 1 9 9 ARG HG2 H 1 0.580 0.006 . 2 . . . . A 9 ARG HG2 . 34887 1 82 . 1 . 1 9 9 ARG HG3 H 1 0.347 0.003 . 2 . . . . A 9 ARG HG3 . 34887 1 83 . 1 . 1 9 9 ARG HD2 H 1 1.558 0.008 . 2 . . . . A 9 ARG HD2 . 34887 1 84 . 1 . 1 9 9 ARG HD3 H 1 2.533 0.007 . 2 . . . . A 9 ARG HD3 . 34887 1 85 . 1 . 1 9 9 ARG C C 13 172.883 0.010 . 1 . . . . A 9 ARG C . 34887 1 86 . 1 . 1 9 9 ARG CA C 13 53.814 0.065 . 1 . . . . A 9 ARG CA . 34887 1 87 . 1 . 1 9 9 ARG CB C 13 30.716 0.030 . 1 . . . . A 9 ARG CB . 34887 1 88 . 1 . 1 9 9 ARG CG C 13 25.035 0.040 . 1 . . . . A 9 ARG CG . 34887 1 89 . 1 . 1 9 9 ARG CD C 13 43.150 0.048 . 1 . . . . A 9 ARG CD . 34887 1 90 . 1 . 1 9 9 ARG N N 15 126.561 0.028 . 1 . . . . A 9 ARG N . 34887 1 91 . 1 . 1 10 10 ASN H H 1 8.023 0.005 . 1 . . . . A 10 ASN H . 34887 1 92 . 1 . 1 10 10 ASN HA H 1 4.322 0.004 . 1 . . . . A 10 ASN HA . 34887 1 93 . 1 . 1 10 10 ASN HB2 H 1 2.728 0.004 . 2 . . . . A 10 ASN HB2 . 34887 1 94 . 1 . 1 10 10 ASN HB3 H 1 2.623 0.006 . 2 . . . . A 10 ASN HB3 . 34887 1 95 . 1 . 1 10 10 ASN HD21 H 1 7.816 0.000 . 2 . . . . A 10 ASN HD21 . 34887 1 96 . 1 . 1 10 10 ASN HD22 H 1 7.055 0.000 . 2 . . . . A 10 ASN HD22 . 34887 1 97 . 1 . 1 10 10 ASN C C 13 175.431 0.025 . 1 . . . . A 10 ASN C . 34887 1 98 . 1 . 1 10 10 ASN CA C 13 54.111 0.054 . 1 . . . . A 10 ASN CA . 34887 1 99 . 1 . 1 10 10 ASN CB C 13 38.062 0.056 . 1 . . . . A 10 ASN CB . 34887 1 100 . 1 . 1 10 10 ASN N N 15 119.765 0.020 . 1 . . . . A 10 ASN N . 34887 1 101 . 1 . 1 10 10 ASN ND2 N 15 113.588 0.001 . 1 . . . . A 10 ASN ND2 . 34887 1 102 . 1 . 1 11 11 GLN H H 1 8.847 0.005 . 1 . . . . A 11 GLN H . 34887 1 103 . 1 . 1 11 11 GLN HA H 1 4.235 0.009 . 1 . . . . A 11 GLN HA . 34887 1 104 . 1 . 1 11 11 GLN HB2 H 1 1.962 0.002 . 2 . . . . A 11 GLN HB2 . 34887 1 105 . 1 . 1 11 11 GLN HB3 H 1 2.066 0.011 . 2 . . . . A 11 GLN HB3 . 34887 1 106 . 1 . 1 11 11 GLN HG2 H 1 2.437 0.005 . 2 . . . . A 11 GLN HG2 . 34887 1 107 . 1 . 1 11 11 GLN HG3 H 1 2.521 0.007 . 2 . . . . A 11 GLN HG3 . 34887 1 108 . 1 . 1 11 11 GLN HE21 H 1 7.718 0.000 . 2 . . . . A 11 GLN HE21 . 34887 1 109 . 1 . 1 11 11 GLN HE22 H 1 6.820 0.000 . 2 . . . . A 11 GLN HE22 . 34887 1 110 . 1 . 1 11 11 GLN C C 13 174.604 0.000 . 1 . . . . A 11 GLN C . 34887 1 111 . 1 . 1 11 11 GLN CA C 13 54.777 0.027 . 1 . . . . A 11 GLN CA . 34887 1 112 . 1 . 1 11 11 GLN CB C 13 28.270 0.013 . 1 . . . . A 11 GLN CB . 34887 1 113 . 1 . 1 11 11 GLN CG C 13 33.897 0.003 . 1 . . . . A 11 GLN CG . 34887 1 114 . 1 . 1 11 11 GLN N N 15 122.098 0.026 . 1 . . . . A 11 GLN N . 34887 1 115 . 1 . 1 11 11 GLN NE2 N 15 111.437 0.002 . 1 . . . . A 11 GLN NE2 . 34887 1 116 . 1 . 1 12 12 PRO HA H 1 4.358 0.005 . 1 . . . . A 12 PRO HA . 34887 1 117 . 1 . 1 12 12 PRO HB2 H 1 1.965 0.010 . 2 . . . . A 12 PRO HB2 . 34887 1 118 . 1 . 1 12 12 PRO HB3 H 1 2.170 0.010 . 2 . . . . A 12 PRO HB3 . 34887 1 119 . 1 . 1 12 12 PRO HG2 H 1 1.824 0.004 . 2 . . . . A 12 PRO HG2 . 34887 1 120 . 1 . 1 12 12 PRO HG3 H 1 1.708 0.007 . 2 . . . . A 12 PRO HG3 . 34887 1 121 . 1 . 1 12 12 PRO HD2 H 1 3.774 0.005 . 2 . . . . A 12 PRO HD2 . 34887 1 122 . 1 . 1 12 12 PRO HD3 H 1 3.298 0.007 . 2 . . . . A 12 PRO HD3 . 34887 1 123 . 1 . 1 12 12 PRO C C 13 174.611 0.009 . 1 . . . . A 12 PRO C . 34887 1 124 . 1 . 1 12 12 PRO CA C 13 62.145 0.042 . 1 . . . . A 12 PRO CA . 34887 1 125 . 1 . 1 12 12 PRO CB C 13 31.399 0.087 . 1 . . . . A 12 PRO CB . 34887 1 126 . 1 . 1 12 12 PRO CG C 13 28.113 0.067 . 1 . . . . A 12 PRO CG . 34887 1 127 . 1 . 1 12 12 PRO CD C 13 49.820 0.053 . 1 . . . . A 12 PRO CD . 34887 1 128 . 1 . 1 13 13 GLN H H 1 8.562 0.005 . 1 . . . . A 13 GLN H . 34887 1 129 . 1 . 1 13 13 GLN HA H 1 4.201 0.002 . 1 . . . . A 13 GLN HA . 34887 1 130 . 1 . 1 13 13 GLN HB2 H 1 1.912 0.007 . 2 . . . . A 13 GLN HB2 . 34887 1 131 . 1 . 1 13 13 GLN HB3 H 1 2.022 0.005 . 2 . . . . A 13 GLN HB3 . 34887 1 132 . 1 . 1 13 13 GLN HG2 H 1 2.387 0.005 . 2 . . . . A 13 GLN HG2 . 34887 1 133 . 1 . 1 13 13 GLN HG3 H 1 2.387 0.005 . 2 . . . . A 13 GLN HG3 . 34887 1 134 . 1 . 1 13 13 GLN HE21 H 1 7.567 0.000 . 2 . . . . A 13 GLN HE21 . 34887 1 135 . 1 . 1 13 13 GLN HE22 H 1 6.941 0.000 . 2 . . . . A 13 GLN HE22 . 34887 1 136 . 1 . 1 13 13 GLN C C 13 173.956 0.019 . 1 . . . . A 13 GLN C . 34887 1 137 . 1 . 1 13 13 GLN CA C 13 55.377 0.057 . 1 . . . . A 13 GLN CA . 34887 1 138 . 1 . 1 13 13 GLN CB C 13 29.655 0.034 . 1 . . . . A 13 GLN CB . 34887 1 139 . 1 . 1 13 13 GLN CG C 13 34.131 0.022 . 1 . . . . A 13 GLN CG . 34887 1 140 . 1 . 1 13 13 GLN N N 15 121.515 0.021 . 1 . . . . A 13 GLN N . 34887 1 141 . 1 . 1 13 13 GLN NE2 N 15 112.973 0.002 . 1 . . . . A 13 GLN NE2 . 34887 1 142 . 1 . 1 14 14 TYR H H 1 8.634 0.006 . 1 . . . . A 14 TYR H . 34887 1 143 . 1 . 1 14 14 TYR HA H 1 4.706 0.001 . 1 . . . . A 14 TYR HA . 34887 1 144 . 1 . 1 14 14 TYR HB2 H 1 3.162 0.001 . 2 . . . . A 14 TYR HB2 . 34887 1 145 . 1 . 1 14 14 TYR HB3 H 1 2.988 0.002 . 2 . . . . A 14 TYR HB3 . 34887 1 146 . 1 . 1 14 14 TYR HD1 H 1 7.200 0.003 . 1 . . . . A 14 TYR HD1 . 34887 1 147 . 1 . 1 14 14 TYR HD2 H 1 7.200 0.003 . 1 . . . . A 14 TYR HD2 . 34887 1 148 . 1 . 1 14 14 TYR HE1 H 1 6.903 0.002 . 1 . . . . A 14 TYR HE1 . 34887 1 149 . 1 . 1 14 14 TYR HE2 H 1 6.903 0.002 . 1 . . . . A 14 TYR HE2 . 34887 1 150 . 1 . 1 14 14 TYR C C 13 175.449 0.000 . 1 . . . . A 14 TYR C . 34887 1 151 . 1 . 1 14 14 TYR CA C 13 55.970 0.007 . 1 . . . . A 14 TYR CA . 34887 1 152 . 1 . 1 14 14 TYR CB C 13 39.637 0.024 . 1 . . . . A 14 TYR CB . 34887 1 153 . 1 . 1 14 14 TYR CD1 C 13 132.152 0.000 . 1 . . . . A 14 TYR CD1 . 34887 1 154 . 1 . 1 14 14 TYR CD2 C 13 132.152 0.000 . 1 . . . . A 14 TYR CD2 . 34887 1 155 . 1 . 1 14 14 TYR CE1 C 13 118.636 0.000 . 1 . . . . A 14 TYR CE1 . 34887 1 156 . 1 . 1 14 14 TYR CE2 C 13 118.636 0.000 . 1 . . . . A 14 TYR CE2 . 34887 1 157 . 1 . 1 14 14 TYR N N 15 124.946 0.026 . 1 . . . . A 14 TYR N . 34887 1 158 . 1 . 1 15 15 PRO HA H 1 4.387 0.001 . 1 . . . . A 15 PRO HA . 34887 1 159 . 1 . 1 15 15 PRO HB2 H 1 1.652 0.011 . 2 . . . . A 15 PRO HB2 . 34887 1 160 . 1 . 1 15 15 PRO HB3 H 1 2.356 0.010 . 2 . . . . A 15 PRO HB3 . 34887 1 161 . 1 . 1 15 15 PRO HG2 H 1 1.801 0.000 . 2 . . . . A 15 PRO HG2 . 34887 1 162 . 1 . 1 15 15 PRO HG3 H 1 1.568 0.001 . 2 . . . . A 15 PRO HG3 . 34887 1 163 . 1 . 1 15 15 PRO HD2 H 1 4.048 0.007 . 2 . . . . A 15 PRO HD2 . 34887 1 164 . 1 . 1 15 15 PRO HD3 H 1 3.090 0.003 . 2 . . . . A 15 PRO HD3 . 34887 1 165 . 1 . 1 15 15 PRO C C 13 177.295 0.002 . 1 . . . . A 15 PRO C . 34887 1 166 . 1 . 1 15 15 PRO CA C 13 63.029 0.024 . 1 . . . . A 15 PRO CA . 34887 1 167 . 1 . 1 15 15 PRO CB C 13 32.057 0.029 . 1 . . . . A 15 PRO CB . 34887 1 168 . 1 . 1 15 15 PRO CG C 13 27.827 0.035 . 1 . . . . A 15 PRO CG . 34887 1 169 . 1 . 1 15 15 PRO CD C 13 50.829 0.023 . 1 . . . . A 15 PRO CD . 34887 1 170 . 1 . 1 16 16 ALA H H 1 8.801 0.005 . 1 . . . . A 16 ALA H . 34887 1 171 . 1 . 1 16 16 ALA HA H 1 4.087 0.000 . 1 . . . . A 16 ALA HA . 34887 1 172 . 1 . 1 16 16 ALA HB1 H 1 1.431 0.002 . 1 . . . . A 16 ALA HB1 . 34887 1 173 . 1 . 1 16 16 ALA HB2 H 1 1.431 0.002 . 1 . . . . A 16 ALA HB2 . 34887 1 174 . 1 . 1 16 16 ALA HB3 H 1 1.431 0.002 . 1 . . . . A 16 ALA HB3 . 34887 1 175 . 1 . 1 16 16 ALA C C 13 180.729 0.034 . 1 . . . . A 16 ALA C . 34887 1 176 . 1 . 1 16 16 ALA CA C 13 55.383 0.059 . 1 . . . . A 16 ALA CA . 34887 1 177 . 1 . 1 16 16 ALA CB C 13 18.278 0.054 . 1 . . . . A 16 ALA CB . 34887 1 178 . 1 . 1 16 16 ALA N N 15 128.325 0.010 . 1 . . . . A 16 ALA N . 34887 1 179 . 1 . 1 17 17 ARG H H 1 8.871 0.004 . 1 . . . . A 17 ARG H . 34887 1 180 . 1 . 1 17 17 ARG HA H 1 4.056 0.003 . 1 . . . . A 17 ARG HA . 34887 1 181 . 1 . 1 17 17 ARG HB2 H 1 1.741 0.009 . 2 . . . . A 17 ARG HB2 . 34887 1 182 . 1 . 1 17 17 ARG HB3 H 1 1.636 0.004 . 2 . . . . A 17 ARG HB3 . 34887 1 183 . 1 . 1 17 17 ARG HG2 H 1 1.614 0.012 . 2 . . . . A 17 ARG HG2 . 34887 1 184 . 1 . 1 17 17 ARG HG3 H 1 1.466 0.005 . 2 . . . . A 17 ARG HG3 . 34887 1 185 . 1 . 1 17 17 ARG HD2 H 1 3.157 0.004 . 2 . . . . A 17 ARG HD2 . 34887 1 186 . 1 . 1 17 17 ARG HD3 H 1 3.157 0.004 . 2 . . . . A 17 ARG HD3 . 34887 1 187 . 1 . 1 17 17 ARG C C 13 177.354 0.009 . 1 . . . . A 17 ARG C . 34887 1 188 . 1 . 1 17 17 ARG CA C 13 58.471 0.037 . 1 . . . . A 17 ARG CA . 34887 1 189 . 1 . 1 17 17 ARG CB C 13 29.870 0.012 . 1 . . . . A 17 ARG CB . 34887 1 190 . 1 . 1 17 17 ARG CG C 13 27.261 0.017 . 1 . . . . A 17 ARG CG . 34887 1 191 . 1 . 1 17 17 ARG CD C 13 43.211 0.000 . 1 . . . . A 17 ARG CD . 34887 1 192 . 1 . 1 17 17 ARG N N 15 117.135 0.026 . 1 . . . . A 17 ARG N . 34887 1 193 . 1 . 1 18 18 ALA H H 1 6.801 0.006 . 1 . . . . A 18 ALA H . 34887 1 194 . 1 . 1 18 18 ALA HA H 1 3.976 0.002 . 1 . . . . A 18 ALA HA . 34887 1 195 . 1 . 1 18 18 ALA HB1 H 1 1.204 0.003 . 1 . . . . A 18 ALA HB1 . 34887 1 196 . 1 . 1 18 18 ALA HB2 H 1 1.204 0.003 . 1 . . . . A 18 ALA HB2 . 34887 1 197 . 1 . 1 18 18 ALA HB3 H 1 1.204 0.003 . 1 . . . . A 18 ALA HB3 . 34887 1 198 . 1 . 1 18 18 ALA C C 13 178.916 0.087 . 1 . . . . A 18 ALA C . 34887 1 199 . 1 . 1 18 18 ALA CA C 13 54.321 0.077 . 1 . . . . A 18 ALA CA . 34887 1 200 . 1 . 1 18 18 ALA CB C 13 18.971 0.043 . 1 . . . . A 18 ALA CB . 34887 1 201 . 1 . 1 18 18 ALA N N 15 118.938 0.032 . 1 . . . . A 18 ALA N . 34887 1 202 . 1 . 1 19 19 GLN H H 1 7.882 0.005 . 1 . . . . A 19 GLN H . 34887 1 203 . 1 . 1 19 19 GLN HA H 1 3.948 0.003 . 1 . . . . A 19 GLN HA . 34887 1 204 . 1 . 1 19 19 GLN HB2 H 1 2.128 0.005 . 2 . . . . A 19 GLN HB2 . 34887 1 205 . 1 . 1 19 19 GLN HB3 H 1 2.035 0.004 . 2 . . . . A 19 GLN HB3 . 34887 1 206 . 1 . 1 19 19 GLN HG2 H 1 2.233 0.008 . 2 . . . . A 19 GLN HG2 . 34887 1 207 . 1 . 1 19 19 GLN HG3 H 1 2.290 0.001 . 2 . . . . A 19 GLN HG3 . 34887 1 208 . 1 . 1 19 19 GLN HE21 H 1 7.277 0.000 . 2 . . . . A 19 GLN HE21 . 34887 1 209 . 1 . 1 19 19 GLN HE22 H 1 6.831 0.000 . 2 . . . . A 19 GLN HE22 . 34887 1 210 . 1 . 1 19 19 GLN C C 13 178.709 0.000 . 1 . . . . A 19 GLN C . 34887 1 211 . 1 . 1 19 19 GLN CA C 13 58.876 0.040 . 1 . . . . A 19 GLN CA . 34887 1 212 . 1 . 1 19 19 GLN CB C 13 28.696 0.021 . 1 . . . . A 19 GLN CB . 34887 1 213 . 1 . 1 19 19 GLN CG C 13 33.926 0.003 . 1 . . . . A 19 GLN CG . 34887 1 214 . 1 . 1 19 19 GLN N N 15 117.930 0.022 . 1 . . . . A 19 GLN N . 34887 1 215 . 1 . 1 19 19 GLN NE2 N 15 111.443 0.000 . 1 . . . . A 19 GLN NE2 . 34887 1 216 . 1 . 1 20 20 ALA H H 1 7.986 0.005 . 1 . . . . A 20 ALA H . 34887 1 217 . 1 . 1 20 20 ALA HA H 1 4.079 0.005 . 1 . . . . A 20 ALA HA . 34887 1 218 . 1 . 1 20 20 ALA HB1 H 1 1.424 0.005 . 1 . . . . A 20 ALA HB1 . 34887 1 219 . 1 . 1 20 20 ALA HB2 H 1 1.424 0.005 . 1 . . . . A 20 ALA HB2 . 34887 1 220 . 1 . 1 20 20 ALA HB3 H 1 1.424 0.005 . 1 . . . . A 20 ALA HB3 . 34887 1 221 . 1 . 1 20 20 ALA C C 13 179.232 0.037 . 1 . . . . A 20 ALA C . 34887 1 222 . 1 . 1 20 20 ALA CA C 13 54.493 0.072 . 1 . . . . A 20 ALA CA . 34887 1 223 . 1 . 1 20 20 ALA CB C 13 18.411 0.046 . 1 . . . . A 20 ALA CB . 34887 1 224 . 1 . 1 20 20 ALA N N 15 121.173 0.020 . 1 . . . . A 20 ALA N . 34887 1 225 . 1 . 1 21 21 LEU H H 1 7.530 0.006 . 1 . . . . A 21 LEU H . 34887 1 226 . 1 . 1 21 21 LEU HA H 1 4.228 0.004 . 1 . . . . A 21 LEU HA . 34887 1 227 . 1 . 1 21 21 LEU HB2 H 1 1.621 0.012 . 2 . . . . A 21 LEU HB2 . 34887 1 228 . 1 . 1 21 21 LEU HB3 H 1 1.621 0.012 . 2 . . . . A 21 LEU HB3 . 34887 1 229 . 1 . 1 21 21 LEU HG H 1 1.713 0.000 . 1 . . . . A 21 LEU HG . 34887 1 230 . 1 . 1 21 21 LEU HD11 H 1 0.865 0.009 . 2 . . . . A 21 LEU HD11 . 34887 1 231 . 1 . 1 21 21 LEU HD12 H 1 0.865 0.009 . 2 . . . . A 21 LEU HD12 . 34887 1 232 . 1 . 1 21 21 LEU HD13 H 1 0.865 0.009 . 2 . . . . A 21 LEU HD13 . 34887 1 233 . 1 . 1 21 21 LEU HD21 H 1 0.814 0.000 . 2 . . . . A 21 LEU HD21 . 34887 1 234 . 1 . 1 21 21 LEU HD22 H 1 0.814 0.000 . 2 . . . . A 21 LEU HD22 . 34887 1 235 . 1 . 1 21 21 LEU HD23 H 1 0.814 0.000 . 2 . . . . A 21 LEU HD23 . 34887 1 236 . 1 . 1 21 21 LEU C C 13 176.005 0.019 . 1 . . . . A 21 LEU C . 34887 1 237 . 1 . 1 21 21 LEU CA C 13 54.910 0.061 . 1 . . . . A 21 LEU CA . 34887 1 238 . 1 . 1 21 21 LEU CB C 13 42.844 0.017 . 1 . . . . A 21 LEU CB . 34887 1 239 . 1 . 1 21 21 LEU CG C 13 27.078 0.000 . 1 . . . . A 21 LEU CG . 34887 1 240 . 1 . 1 21 21 LEU CD1 C 13 25.033 0.000 . 1 . . . . A 21 LEU CD1 . 34887 1 241 . 1 . 1 21 21 LEU CD2 C 13 22.358 0.000 . 1 . . . . A 21 LEU CD2 . 34887 1 242 . 1 . 1 21 21 LEU N N 15 116.287 0.013 . 1 . . . . A 21 LEU N . 34887 1 243 . 1 . 1 22 22 ARG H H 1 7.881 0.005 . 1 . . . . A 22 ARG H . 34887 1 244 . 1 . 1 22 22 ARG HA H 1 3.859 0.009 . 1 . . . . A 22 ARG HA . 34887 1 245 . 1 . 1 22 22 ARG HB2 H 1 1.833 0.001 . 2 . . . . A 22 ARG HB2 . 34887 1 246 . 1 . 1 22 22 ARG HB3 H 1 2.102 0.006 . 2 . . . . A 22 ARG HB3 . 34887 1 247 . 1 . 1 22 22 ARG HG2 H 1 1.602 0.000 . 2 . . . . A 22 ARG HG2 . 34887 1 248 . 1 . 1 22 22 ARG HG3 H 1 1.602 0.000 . 2 . . . . A 22 ARG HG3 . 34887 1 249 . 1 . 1 22 22 ARG HD2 H 1 3.211 0.013 . 2 . . . . A 22 ARG HD2 . 34887 1 250 . 1 . 1 22 22 ARG HD3 H 1 3.211 0.013 . 2 . . . . A 22 ARG HD3 . 34887 1 251 . 1 . 1 22 22 ARG C C 13 174.563 0.020 . 1 . . . . A 22 ARG C . 34887 1 252 . 1 . 1 22 22 ARG CA C 13 56.854 0.048 . 1 . . . . A 22 ARG CA . 34887 1 253 . 1 . 1 22 22 ARG CB C 13 26.840 0.052 . 1 . . . . A 22 ARG CB . 34887 1 254 . 1 . 1 22 22 ARG CG C 13 26.449 0.000 . 1 . . . . A 22 ARG CG . 34887 1 255 . 1 . 1 22 22 ARG CD C 13 43.248 0.032 . 1 . . . . A 22 ARG CD . 34887 1 256 . 1 . 1 22 22 ARG N N 15 116.955 0.022 . 1 . . . . A 22 ARG N . 34887 1 257 . 1 . 1 23 23 ILE H H 1 7.971 0.005 . 1 . . . . A 23 ILE H . 34887 1 258 . 1 . 1 23 23 ILE HA H 1 4.424 0.002 . 1 . . . . A 23 ILE HA . 34887 1 259 . 1 . 1 23 23 ILE HB H 1 1.733 0.004 . 1 . . . . A 23 ILE HB . 34887 1 260 . 1 . 1 23 23 ILE HG12 H 1 1.145 0.006 . 2 . . . . A 23 ILE HG12 . 34887 1 261 . 1 . 1 23 23 ILE HG13 H 1 1.451 0.004 . 2 . . . . A 23 ILE HG13 . 34887 1 262 . 1 . 1 23 23 ILE HG21 H 1 0.924 0.000 . 1 . . . . A 23 ILE HG21 . 34887 1 263 . 1 . 1 23 23 ILE HG22 H 1 0.924 0.000 . 1 . . . . A 23 ILE HG22 . 34887 1 264 . 1 . 1 23 23 ILE HG23 H 1 0.924 0.000 . 1 . . . . A 23 ILE HG23 . 34887 1 265 . 1 . 1 23 23 ILE HD11 H 1 0.794 0.002 . 1 . . . . A 23 ILE HD11 . 34887 1 266 . 1 . 1 23 23 ILE HD12 H 1 0.794 0.002 . 1 . . . . A 23 ILE HD12 . 34887 1 267 . 1 . 1 23 23 ILE HD13 H 1 0.794 0.002 . 1 . . . . A 23 ILE HD13 . 34887 1 268 . 1 . 1 23 23 ILE C C 13 175.716 0.008 . 1 . . . . A 23 ILE C . 34887 1 269 . 1 . 1 23 23 ILE CA C 13 60.152 0.021 . 1 . . . . A 23 ILE CA . 34887 1 270 . 1 . 1 23 23 ILE CB C 13 40.753 0.063 . 1 . . . . A 23 ILE CB . 34887 1 271 . 1 . 1 23 23 ILE CG1 C 13 27.298 0.036 . 1 . . . . A 23 ILE CG1 . 34887 1 272 . 1 . 1 23 23 ILE CG2 C 13 18.160 0.001 . 1 . . . . A 23 ILE CG2 . 34887 1 273 . 1 . 1 23 23 ILE CD1 C 13 13.225 0.008 . 1 . . . . A 23 ILE CD1 . 34887 1 274 . 1 . 1 23 23 ILE N N 15 117.826 0.017 . 1 . . . . A 23 ILE N . 34887 1 275 . 1 . 1 24 24 GLU H H 1 8.485 0.005 . 1 . . . . A 24 GLU H . 34887 1 276 . 1 . 1 24 24 GLU HA H 1 4.635 0.003 . 1 . . . . A 24 GLU HA . 34887 1 277 . 1 . 1 24 24 GLU HB2 H 1 2.152 0.005 . 2 . . . . A 24 GLU HB2 . 34887 1 278 . 1 . 1 24 24 GLU HB3 H 1 2.174 0.004 . 2 . . . . A 24 GLU HB3 . 34887 1 279 . 1 . 1 24 24 GLU HG2 H 1 2.208 0.001 . 2 . . . . A 24 GLU HG2 . 34887 1 280 . 1 . 1 24 24 GLU HG3 H 1 2.323 0.005 . 2 . . . . A 24 GLU HG3 . 34887 1 281 . 1 . 1 24 24 GLU C C 13 175.278 0.015 . 1 . . . . A 24 GLU C . 34887 1 282 . 1 . 1 24 24 GLU CA C 13 55.226 0.073 . 1 . . . . A 24 GLU CA . 34887 1 283 . 1 . 1 24 24 GLU CB C 13 31.790 0.042 . 1 . . . . A 24 GLU CB . 34887 1 284 . 1 . 1 24 24 GLU CG C 13 37.436 0.013 . 1 . . . . A 24 GLU CG . 34887 1 285 . 1 . 1 24 24 GLU N N 15 125.811 0.017 . 1 . . . . A 24 GLU N . 34887 1 286 . 1 . 1 25 25 GLY H H 1 8.009 0.001 . 1 . . . . A 25 GLY H . 34887 1 287 . 1 . 1 25 25 GLY HA2 H 1 3.968 0.009 . 2 . . . . A 25 GLY HA2 . 34887 1 288 . 1 . 1 25 25 GLY HA3 H 1 4.643 0.002 . 2 . . . . A 25 GLY HA3 . 34887 1 289 . 1 . 1 25 25 GLY C C 13 172.107 0.003 . 1 . . . . A 25 GLY C . 34887 1 290 . 1 . 1 25 25 GLY CA C 13 46.046 0.030 . 1 . . . . A 25 GLY CA . 34887 1 291 . 1 . 1 25 25 GLY N N 15 106.009 0.026 . 1 . . . . A 25 GLY N . 34887 1 292 . 1 . 1 26 26 ARG H H 1 8.608 0.004 . 1 . . . . A 26 ARG H . 34887 1 293 . 1 . 1 26 26 ARG HA H 1 5.430 0.009 . 1 . . . . A 26 ARG HA . 34887 1 294 . 1 . 1 26 26 ARG HB2 H 1 1.845 0.003 . 2 . . . . A 26 ARG HB2 . 34887 1 295 . 1 . 1 26 26 ARG HB3 H 1 1.696 0.005 . 2 . . . . A 26 ARG HB3 . 34887 1 296 . 1 . 1 26 26 ARG HG2 H 1 1.538 0.000 . 2 . . . . A 26 ARG HG2 . 34887 1 297 . 1 . 1 26 26 ARG HG3 H 1 1.538 0.000 . 2 . . . . A 26 ARG HG3 . 34887 1 298 . 1 . 1 26 26 ARG HD2 H 1 3.127 0.002 . 2 . . . . A 26 ARG HD2 . 34887 1 299 . 1 . 1 26 26 ARG HD3 H 1 3.127 0.002 . 2 . . . . A 26 ARG HD3 . 34887 1 300 . 1 . 1 26 26 ARG C C 13 175.219 0.015 . 1 . . . . A 26 ARG C . 34887 1 301 . 1 . 1 26 26 ARG CA C 13 55.183 0.042 . 1 . . . . A 26 ARG CA . 34887 1 302 . 1 . 1 26 26 ARG CB C 13 33.921 0.046 . 1 . . . . A 26 ARG CB . 34887 1 303 . 1 . 1 26 26 ARG CG C 13 27.144 0.000 . 1 . . . . A 26 ARG CG . 34887 1 304 . 1 . 1 26 26 ARG CD C 13 43.559 0.000 . 1 . . . . A 26 ARG CD . 34887 1 305 . 1 . 1 26 26 ARG N N 15 118.316 0.025 . 1 . . . . A 26 ARG N . 34887 1 306 . 1 . 1 27 27 VAL H H 1 9.287 0.005 . 1 . . . . A 27 VAL H . 34887 1 307 . 1 . 1 27 27 VAL HA H 1 4.887 0.006 . 1 . . . . A 27 VAL HA . 34887 1 308 . 1 . 1 27 27 VAL HB H 1 1.966 0.004 . 1 . . . . A 27 VAL HB . 34887 1 309 . 1 . 1 27 27 VAL HG11 H 1 1.051 0.006 . 2 . . . . A 27 VAL HG11 . 34887 1 310 . 1 . 1 27 27 VAL HG12 H 1 1.051 0.006 . 2 . . . . A 27 VAL HG12 . 34887 1 311 . 1 . 1 27 27 VAL HG13 H 1 1.051 0.006 . 2 . . . . A 27 VAL HG13 . 34887 1 312 . 1 . 1 27 27 VAL HG21 H 1 0.942 0.001 . 2 . . . . A 27 VAL HG21 . 34887 1 313 . 1 . 1 27 27 VAL HG22 H 1 0.942 0.001 . 2 . . . . A 27 VAL HG22 . 34887 1 314 . 1 . 1 27 27 VAL HG23 H 1 0.942 0.001 . 2 . . . . A 27 VAL HG23 . 34887 1 315 . 1 . 1 27 27 VAL C C 13 172.836 0.020 . 1 . . . . A 27 VAL C . 34887 1 316 . 1 . 1 27 27 VAL CA C 13 60.819 0.056 . 1 . . . . A 27 VAL CA . 34887 1 317 . 1 . 1 27 27 VAL CB C 13 36.125 0.047 . 1 . . . . A 27 VAL CB . 34887 1 318 . 1 . 1 27 27 VAL CG1 C 13 22.526 0.000 . 1 . . . . A 27 VAL CG1 . 34887 1 319 . 1 . 1 27 27 VAL CG2 C 13 22.023 0.082 . 1 . . . . A 27 VAL CG2 . 34887 1 320 . 1 . 1 27 27 VAL N N 15 124.039 0.025 . 1 . . . . A 27 VAL N . 34887 1 321 . 1 . 1 28 28 LYS H H 1 9.114 0.004 . 1 . . . . A 28 LYS H . 34887 1 322 . 1 . 1 28 28 LYS HA H 1 5.307 0.002 . 1 . . . . A 28 LYS HA . 34887 1 323 . 1 . 1 28 28 LYS HB2 H 1 1.749 0.005 . 2 . . . . A 28 LYS HB2 . 34887 1 324 . 1 . 1 28 28 LYS HB3 H 1 1.807 0.000 . 2 . . . . A 28 LYS HB3 . 34887 1 325 . 1 . 1 28 28 LYS HG2 H 1 1.207 0.003 . 2 . . . . A 28 LYS HG2 . 34887 1 326 . 1 . 1 28 28 LYS HG3 H 1 1.398 0.006 . 2 . . . . A 28 LYS HG3 . 34887 1 327 . 1 . 1 28 28 LYS HD2 H 1 1.590 0.001 . 2 . . . . A 28 LYS HD2 . 34887 1 328 . 1 . 1 28 28 LYS HD3 H 1 1.649 0.000 . 2 . . . . A 28 LYS HD3 . 34887 1 329 . 1 . 1 28 28 LYS HE2 H 1 2.851 0.004 . 2 . . . . A 28 LYS HE2 . 34887 1 330 . 1 . 1 28 28 LYS HE3 H 1 2.851 0.004 . 2 . . . . A 28 LYS HE3 . 34887 1 331 . 1 . 1 28 28 LYS C C 13 175.630 0.025 . 1 . . . . A 28 LYS C . 34887 1 332 . 1 . 1 28 28 LYS CA C 13 55.635 0.075 . 1 . . . . A 28 LYS CA . 34887 1 333 . 1 . 1 28 28 LYS CB C 13 35.034 0.018 . 1 . . . . A 28 LYS CB . 34887 1 334 . 1 . 1 28 28 LYS CG C 13 24.935 0.061 . 1 . . . . A 28 LYS CG . 34887 1 335 . 1 . 1 28 28 LYS CD C 13 29.331 0.022 . 1 . . . . A 28 LYS CD . 34887 1 336 . 1 . 1 28 28 LYS CE C 13 41.605 0.051 . 1 . . . . A 28 LYS CE . 34887 1 337 . 1 . 1 28 28 LYS N N 15 129.907 0.037 . 1 . . . . A 28 LYS N . 34887 1 338 . 1 . 1 29 29 VAL H H 1 9.268 0.005 . 1 . . . . A 29 VAL H . 34887 1 339 . 1 . 1 29 29 VAL HA H 1 4.966 0.010 . 1 . . . . A 29 VAL HA . 34887 1 340 . 1 . 1 29 29 VAL HB H 1 1.874 0.007 . 1 . . . . A 29 VAL HB . 34887 1 341 . 1 . 1 29 29 VAL HG11 H 1 0.860 0.002 . 2 . . . . A 29 VAL HG11 . 34887 1 342 . 1 . 1 29 29 VAL HG12 H 1 0.860 0.002 . 2 . . . . A 29 VAL HG12 . 34887 1 343 . 1 . 1 29 29 VAL HG13 H 1 0.860 0.002 . 2 . . . . A 29 VAL HG13 . 34887 1 344 . 1 . 1 29 29 VAL HG21 H 1 0.842 0.000 . 2 . . . . A 29 VAL HG21 . 34887 1 345 . 1 . 1 29 29 VAL HG22 H 1 0.842 0.000 . 2 . . . . A 29 VAL HG22 . 34887 1 346 . 1 . 1 29 29 VAL HG23 H 1 0.842 0.000 . 2 . . . . A 29 VAL HG23 . 34887 1 347 . 1 . 1 29 29 VAL C C 13 172.196 0.012 . 1 . . . . A 29 VAL C . 34887 1 348 . 1 . 1 29 29 VAL CA C 13 60.465 0.015 . 1 . . . . A 29 VAL CA . 34887 1 349 . 1 . 1 29 29 VAL CB C 13 35.861 0.021 . 1 . . . . A 29 VAL CB . 34887 1 350 . 1 . 1 29 29 VAL CG1 C 13 22.777 0.000 . 1 . . . . A 29 VAL CG1 . 34887 1 351 . 1 . 1 29 29 VAL CG2 C 13 21.879 0.000 . 1 . . . . A 29 VAL CG2 . 34887 1 352 . 1 . 1 29 29 VAL N N 15 126.114 0.019 . 1 . . . . A 29 VAL N . 34887 1 353 . 1 . 1 30 30 LYS H H 1 9.078 0.006 . 1 . . . . A 30 LYS H . 34887 1 354 . 1 . 1 30 30 LYS HA H 1 6.041 0.009 . 1 . . . . A 30 LYS HA . 34887 1 355 . 1 . 1 30 30 LYS HB2 H 1 1.573 0.004 . 2 . . . . A 30 LYS HB2 . 34887 1 356 . 1 . 1 30 30 LYS HB3 H 1 1.712 0.003 . 2 . . . . A 30 LYS HB3 . 34887 1 357 . 1 . 1 30 30 LYS HG2 H 1 1.252 0.007 . 2 . . . . A 30 LYS HG2 . 34887 1 358 . 1 . 1 30 30 LYS HG3 H 1 1.533 0.000 . 2 . . . . A 30 LYS HG3 . 34887 1 359 . 1 . 1 30 30 LYS HD2 H 1 1.576 0.003 . 2 . . . . A 30 LYS HD2 . 34887 1 360 . 1 . 1 30 30 LYS HD3 H 1 1.576 0.003 . 2 . . . . A 30 LYS HD3 . 34887 1 361 . 1 . 1 30 30 LYS HE2 H 1 2.841 0.000 . 2 . . . . A 30 LYS HE2 . 34887 1 362 . 1 . 1 30 30 LYS HE3 H 1 2.841 0.000 . 2 . . . . A 30 LYS HE3 . 34887 1 363 . 1 . 1 30 30 LYS C C 13 174.680 0.014 . 1 . . . . A 30 LYS C . 34887 1 364 . 1 . 1 30 30 LYS CA C 13 53.576 0.068 . 1 . . . . A 30 LYS CA . 34887 1 365 . 1 . 1 30 30 LYS CB C 13 36.941 0.039 . 1 . . . . A 30 LYS CB . 34887 1 366 . 1 . 1 30 30 LYS CG C 13 24.720 0.013 . 1 . . . . A 30 LYS CG . 34887 1 367 . 1 . 1 30 30 LYS CD C 13 29.993 0.022 . 1 . . . . A 30 LYS CD . 34887 1 368 . 1 . 1 30 30 LYS N N 15 127.083 0.019 . 1 . . . . A 30 LYS N . 34887 1 369 . 1 . 1 31 31 PHE H H 1 9.031 0.005 . 1 . . . . A 31 PHE H . 34887 1 370 . 1 . 1 31 31 PHE HA H 1 5.041 0.003 . 1 . . . . A 31 PHE HA . 34887 1 371 . 1 . 1 31 31 PHE HB2 H 1 2.964 0.007 . 2 . . . . A 31 PHE HB2 . 34887 1 372 . 1 . 1 31 31 PHE HB3 H 1 2.886 0.003 . 2 . . . . A 31 PHE HB3 . 34887 1 373 . 1 . 1 31 31 PHE HD1 H 1 6.847 0.004 . 1 . . . . A 31 PHE HD1 . 34887 1 374 . 1 . 1 31 31 PHE HD2 H 1 6.847 0.004 . 1 . . . . A 31 PHE HD2 . 34887 1 375 . 1 . 1 31 31 PHE HE1 H 1 6.963 0.001 . 1 . . . . A 31 PHE HE1 . 34887 1 376 . 1 . 1 31 31 PHE HE2 H 1 6.963 0.001 . 1 . . . . A 31 PHE HE2 . 34887 1 377 . 1 . 1 31 31 PHE C C 13 171.043 0.019 . 1 . . . . A 31 PHE C . 34887 1 378 . 1 . 1 31 31 PHE CA C 13 56.397 0.032 . 1 . . . . A 31 PHE CA . 34887 1 379 . 1 . 1 31 31 PHE CB C 13 40.363 0.051 . 1 . . . . A 31 PHE CB . 34887 1 380 . 1 . 1 31 31 PHE CD1 C 13 132.810 0.000 . 1 . . . . A 31 PHE CD1 . 34887 1 381 . 1 . 1 31 31 PHE CD2 C 13 132.810 0.000 . 1 . . . . A 31 PHE CD2 . 34887 1 382 . 1 . 1 31 31 PHE CE1 C 13 130.378 0.000 . 1 . . . . A 31 PHE CE1 . 34887 1 383 . 1 . 1 31 31 PHE CE2 C 13 130.378 0.000 . 1 . . . . A 31 PHE CE2 . 34887 1 384 . 1 . 1 31 31 PHE N N 15 121.371 0.025 . 1 . . . . A 31 PHE N . 34887 1 385 . 1 . 1 32 32 ASP H H 1 8.641 0.004 . 1 . . . . A 32 ASP H . 34887 1 386 . 1 . 1 32 32 ASP HA H 1 5.128 0.004 . 1 . . . . A 32 ASP HA . 34887 1 387 . 1 . 1 32 32 ASP HB2 H 1 2.361 0.005 . 2 . . . . A 32 ASP HB2 . 34887 1 388 . 1 . 1 32 32 ASP HB3 H 1 2.847 0.003 . 2 . . . . A 32 ASP HB3 . 34887 1 389 . 1 . 1 32 32 ASP C C 13 174.744 0.024 . 1 . . . . A 32 ASP C . 34887 1 390 . 1 . 1 32 32 ASP CA C 13 52.131 0.064 . 1 . . . . A 32 ASP CA . 34887 1 391 . 1 . 1 32 32 ASP CB C 13 43.584 0.040 . 1 . . . . A 32 ASP CB . 34887 1 392 . 1 . 1 32 32 ASP N N 15 116.570 0.024 . 1 . . . . A 32 ASP N . 34887 1 393 . 1 . 1 33 33 VAL H H 1 8.742 0.006 . 1 . . . . A 33 VAL H . 34887 1 394 . 1 . 1 33 33 VAL HA H 1 4.877 0.001 . 1 . . . . A 33 VAL HA . 34887 1 395 . 1 . 1 33 33 VAL HB H 1 1.455 0.002 . 1 . . . . A 33 VAL HB . 34887 1 396 . 1 . 1 33 33 VAL HG11 H 1 0.770 0.004 . 2 . . . . A 33 VAL HG11 . 34887 1 397 . 1 . 1 33 33 VAL HG12 H 1 0.770 0.004 . 2 . . . . A 33 VAL HG12 . 34887 1 398 . 1 . 1 33 33 VAL HG13 H 1 0.770 0.004 . 2 . . . . A 33 VAL HG13 . 34887 1 399 . 1 . 1 33 33 VAL HG21 H 1 0.181 0.005 . 2 . . . . A 33 VAL HG21 . 34887 1 400 . 1 . 1 33 33 VAL HG22 H 1 0.181 0.005 . 2 . . . . A 33 VAL HG22 . 34887 1 401 . 1 . 1 33 33 VAL HG23 H 1 0.181 0.005 . 2 . . . . A 33 VAL HG23 . 34887 1 402 . 1 . 1 33 33 VAL C C 13 177.809 0.013 . 1 . . . . A 33 VAL C . 34887 1 403 . 1 . 1 33 33 VAL CA C 13 60.814 0.035 . 1 . . . . A 33 VAL CA . 34887 1 404 . 1 . 1 33 33 VAL CB C 13 34.503 0.083 . 1 . . . . A 33 VAL CB . 34887 1 405 . 1 . 1 33 33 VAL CG1 C 13 21.849 0.013 . 1 . . . . A 33 VAL CG1 . 34887 1 406 . 1 . 1 33 33 VAL CG2 C 13 21.662 0.020 . 1 . . . . A 33 VAL CG2 . 34887 1 407 . 1 . 1 33 33 VAL N N 15 119.610 0.023 . 1 . . . . A 33 VAL N . 34887 1 408 . 1 . 1 34 34 THR H H 1 9.415 0.003 . 1 . . . . A 34 THR H . 34887 1 409 . 1 . 1 34 34 THR HA H 1 4.595 0.004 . 1 . . . . A 34 THR HA . 34887 1 410 . 1 . 1 34 34 THR HB H 1 4.790 0.009 . 1 . . . . A 34 THR HB . 34887 1 411 . 1 . 1 34 34 THR HG21 H 1 1.232 0.005 . 1 . . . . A 34 THR HG21 . 34887 1 412 . 1 . 1 34 34 THR HG22 H 1 1.232 0.005 . 1 . . . . A 34 THR HG22 . 34887 1 413 . 1 . 1 34 34 THR HG23 H 1 1.232 0.005 . 1 . . . . A 34 THR HG23 . 34887 1 414 . 1 . 1 34 34 THR C C 13 177.956 0.000 . 1 . . . . A 34 THR C . 34887 1 415 . 1 . 1 34 34 THR CA C 13 60.698 0.014 . 1 . . . . A 34 THR CA . 34887 1 416 . 1 . 1 34 34 THR CB C 13 71.883 0.071 . 1 . . . . A 34 THR CB . 34887 1 417 . 1 . 1 34 34 THR CG2 C 13 21.342 0.000 . 1 . . . . A 34 THR CG2 . 34887 1 418 . 1 . 1 34 34 THR N N 15 117.985 0.021 . 1 . . . . A 34 THR N . 34887 1 419 . 1 . 1 35 35 SER HA H 1 3.956 0.000 . 1 . . . . A 35 SER HA . 34887 1 420 . 1 . 1 35 35 SER HB2 H 1 3.925 0.000 . 2 . . . . A 35 SER HB2 . 34887 1 421 . 1 . 1 35 35 SER HB3 H 1 4.039 0.000 . 2 . . . . A 35 SER HB3 . 34887 1 422 . 1 . 1 35 35 SER C C 13 174.569 0.000 . 1 . . . . A 35 SER C . 34887 1 423 . 1 . 1 35 35 SER CA C 13 62.159 0.071 . 1 . . . . A 35 SER CA . 34887 1 424 . 1 . 1 35 35 SER CB C 13 62.503 0.011 . 1 . . . . A 35 SER CB . 34887 1 425 . 1 . 1 36 36 ALA H H 1 7.741 0.004 . 1 . . . . A 36 ALA H . 34887 1 426 . 1 . 1 36 36 ALA HA H 1 4.608 0.006 . 1 . . . . A 36 ALA HA . 34887 1 427 . 1 . 1 36 36 ALA HB1 H 1 1.406 0.002 . 1 . . . . A 36 ALA HB1 . 34887 1 428 . 1 . 1 36 36 ALA HB2 H 1 1.406 0.002 . 1 . . . . A 36 ALA HB2 . 34887 1 429 . 1 . 1 36 36 ALA HB3 H 1 1.406 0.002 . 1 . . . . A 36 ALA HB3 . 34887 1 430 . 1 . 1 36 36 ALA C C 13 177.547 0.012 . 1 . . . . A 36 ALA C . 34887 1 431 . 1 . 1 36 36 ALA CA C 13 51.934 0.022 . 1 . . . . A 36 ALA CA . 34887 1 432 . 1 . 1 36 36 ALA CB C 13 19.124 0.082 . 1 . . . . A 36 ALA CB . 34887 1 433 . 1 . 1 36 36 ALA N N 15 122.494 0.016 . 1 . . . . A 36 ALA N . 34887 1 434 . 1 . 1 37 37 GLY H H 1 8.161 0.005 . 1 . . . . A 37 GLY H . 34887 1 435 . 1 . 1 37 37 GLY HA2 H 1 4.333 0.006 . 2 . . . . A 37 GLY HA2 . 34887 1 436 . 1 . 1 37 37 GLY HA3 H 1 3.191 0.009 . 2 . . . . A 37 GLY HA3 . 34887 1 437 . 1 . 1 37 37 GLY C C 13 173.352 0.023 . 1 . . . . A 37 GLY C . 34887 1 438 . 1 . 1 37 37 GLY CA C 13 45.737 0.020 . 1 . . . . A 37 GLY CA . 34887 1 439 . 1 . 1 37 37 GLY N N 15 107.413 0.018 . 1 . . . . A 37 GLY N . 34887 1 440 . 1 . 1 38 38 ARG H H 1 7.057 0.002 . 1 . . . . A 38 ARG H . 34887 1 441 . 1 . 1 38 38 ARG HA H 1 4.902 0.005 . 1 . . . . A 38 ARG HA . 34887 1 442 . 1 . 1 38 38 ARG HB2 H 1 2.052 0.005 . 2 . . . . A 38 ARG HB2 . 34887 1 443 . 1 . 1 38 38 ARG HB3 H 1 1.735 0.003 . 2 . . . . A 38 ARG HB3 . 34887 1 444 . 1 . 1 38 38 ARG HG2 H 1 1.658 0.003 . 2 . . . . A 38 ARG HG2 . 34887 1 445 . 1 . 1 38 38 ARG HG3 H 1 1.465 0.002 . 2 . . . . A 38 ARG HG3 . 34887 1 446 . 1 . 1 38 38 ARG HD2 H 1 3.256 0.007 . 2 . . . . A 38 ARG HD2 . 34887 1 447 . 1 . 1 38 38 ARG HD3 H 1 3.260 0.006 . 2 . . . . A 38 ARG HD3 . 34887 1 448 . 1 . 1 38 38 ARG C C 13 174.762 0.022 . 1 . . . . A 38 ARG C . 34887 1 449 . 1 . 1 38 38 ARG CA C 13 53.251 0.087 . 1 . . . . A 38 ARG CA . 34887 1 450 . 1 . 1 38 38 ARG CB C 13 31.688 0.048 . 1 . . . . A 38 ARG CB . 34887 1 451 . 1 . 1 38 38 ARG CG C 13 27.424 0.053 . 1 . . . . A 38 ARG CG . 34887 1 452 . 1 . 1 38 38 ARG CD C 13 42.451 0.027 . 1 . . . . A 38 ARG CD . 34887 1 453 . 1 . 1 38 38 ARG N N 15 116.633 0.022 . 1 . . . . A 38 ARG N . 34887 1 454 . 1 . 1 39 39 VAL H H 1 8.883 0.004 . 1 . . . . A 39 VAL H . 34887 1 455 . 1 . 1 39 39 VAL HA H 1 4.900 0.013 . 1 . . . . A 39 VAL HA . 34887 1 456 . 1 . 1 39 39 VAL HB H 1 1.996 0.013 . 1 . . . . A 39 VAL HB . 34887 1 457 . 1 . 1 39 39 VAL HG11 H 1 0.615 0.004 . 2 . . . . A 39 VAL HG11 . 34887 1 458 . 1 . 1 39 39 VAL HG12 H 1 0.615 0.004 . 2 . . . . A 39 VAL HG12 . 34887 1 459 . 1 . 1 39 39 VAL HG13 H 1 0.615 0.004 . 2 . . . . A 39 VAL HG13 . 34887 1 460 . 1 . 1 39 39 VAL HG21 H 1 1.055 0.004 . 2 . . . . A 39 VAL HG21 . 34887 1 461 . 1 . 1 39 39 VAL HG22 H 1 1.055 0.004 . 2 . . . . A 39 VAL HG22 . 34887 1 462 . 1 . 1 39 39 VAL HG23 H 1 1.055 0.004 . 2 . . . . A 39 VAL HG23 . 34887 1 463 . 1 . 1 39 39 VAL C C 13 176.275 0.008 . 1 . . . . A 39 VAL C . 34887 1 464 . 1 . 1 39 39 VAL CA C 13 62.113 0.027 . 1 . . . . A 39 VAL CA . 34887 1 465 . 1 . 1 39 39 VAL CB C 13 32.188 0.045 . 1 . . . . A 39 VAL CB . 34887 1 466 . 1 . 1 39 39 VAL CG1 C 13 22.187 0.038 . 1 . . . . A 39 VAL CG1 . 34887 1 467 . 1 . 1 39 39 VAL CG2 C 13 22.609 0.057 . 1 . . . . A 39 VAL CG2 . 34887 1 468 . 1 . 1 39 39 VAL N N 15 121.074 0.022 . 1 . . . . A 39 VAL N . 34887 1 469 . 1 . 1 40 40 GLU H H 1 9.046 0.004 . 1 . . . . A 40 GLU H . 34887 1 470 . 1 . 1 40 40 GLU HA H 1 4.731 0.002 . 1 . . . . A 40 GLU HA . 34887 1 471 . 1 . 1 40 40 GLU HB2 H 1 1.967 0.002 . 2 . . . . A 40 GLU HB2 . 34887 1 472 . 1 . 1 40 40 GLU HB3 H 1 1.672 0.002 . 2 . . . . A 40 GLU HB3 . 34887 1 473 . 1 . 1 40 40 GLU HG2 H 1 2.087 0.005 . 2 . . . . A 40 GLU HG2 . 34887 1 474 . 1 . 1 40 40 GLU HG3 H 1 2.087 0.005 . 2 . . . . A 40 GLU HG3 . 34887 1 475 . 1 . 1 40 40 GLU C C 13 174.056 0.026 . 1 . . . . A 40 GLU C . 34887 1 476 . 1 . 1 40 40 GLU CA C 13 54.106 0.093 . 1 . . . . A 40 GLU CA . 34887 1 477 . 1 . 1 40 40 GLU CB C 13 34.548 0.030 . 1 . . . . A 40 GLU CB . 34887 1 478 . 1 . 1 40 40 GLU CG C 13 35.771 0.051 . 1 . . . . A 40 GLU CG . 34887 1 479 . 1 . 1 40 40 GLU N N 15 126.104 0.014 . 1 . . . . A 40 GLU N . 34887 1 480 . 1 . 1 41 41 ASN H H 1 8.867 0.005 . 1 . . . . A 41 ASN H . 34887 1 481 . 1 . 1 41 41 ASN HA H 1 4.247 0.001 . 1 . . . . A 41 ASN HA . 34887 1 482 . 1 . 1 41 41 ASN HB2 H 1 2.631 0.004 . 2 . . . . A 41 ASN HB2 . 34887 1 483 . 1 . 1 41 41 ASN HB3 H 1 3.034 0.003 . 2 . . . . A 41 ASN HB3 . 34887 1 484 . 1 . 1 41 41 ASN HD21 H 1 8.095 0.000 . 2 . . . . A 41 ASN HD21 . 34887 1 485 . 1 . 1 41 41 ASN HD22 H 1 6.697 0.000 . 2 . . . . A 41 ASN HD22 . 34887 1 486 . 1 . 1 41 41 ASN C C 13 173.955 0.037 . 1 . . . . A 41 ASN C . 34887 1 487 . 1 . 1 41 41 ASN CA C 13 53.381 0.066 . 1 . . . . A 41 ASN CA . 34887 1 488 . 1 . 1 41 41 ASN CB C 13 36.593 0.008 . 1 . . . . A 41 ASN CB . 34887 1 489 . 1 . 1 41 41 ASN N N 15 117.181 0.014 . 1 . . . . A 41 ASN N . 34887 1 490 . 1 . 1 41 41 ASN ND2 N 15 113.252 0.002 . 1 . . . . A 41 ASN ND2 . 34887 1 491 . 1 . 1 42 42 VAL H H 1 8.035 0.004 . 1 . . . . A 42 VAL H . 34887 1 492 . 1 . 1 42 42 VAL HA H 1 4.037 0.009 . 1 . . . . A 42 VAL HA . 34887 1 493 . 1 . 1 42 42 VAL HB H 1 1.837 0.010 . 1 . . . . A 42 VAL HB . 34887 1 494 . 1 . 1 42 42 VAL HG11 H 1 0.715 0.000 . 2 . . . . A 42 VAL HG11 . 34887 1 495 . 1 . 1 42 42 VAL HG12 H 1 0.715 0.000 . 2 . . . . A 42 VAL HG12 . 34887 1 496 . 1 . 1 42 42 VAL HG13 H 1 0.715 0.000 . 2 . . . . A 42 VAL HG13 . 34887 1 497 . 1 . 1 42 42 VAL HG21 H 1 0.628 0.002 . 2 . . . . A 42 VAL HG21 . 34887 1 498 . 1 . 1 42 42 VAL HG22 H 1 0.628 0.002 . 2 . . . . A 42 VAL HG22 . 34887 1 499 . 1 . 1 42 42 VAL HG23 H 1 0.628 0.002 . 2 . . . . A 42 VAL HG23 . 34887 1 500 . 1 . 1 42 42 VAL C C 13 177.041 0.024 . 1 . . . . A 42 VAL C . 34887 1 501 . 1 . 1 42 42 VAL CA C 13 64.211 0.026 . 1 . . . . A 42 VAL CA . 34887 1 502 . 1 . 1 42 42 VAL CB C 13 31.542 0.064 . 1 . . . . A 42 VAL CB . 34887 1 503 . 1 . 1 42 42 VAL CG1 C 13 22.751 0.000 . 1 . . . . A 42 VAL CG1 . 34887 1 504 . 1 . 1 42 42 VAL CG2 C 13 21.695 0.015 . 1 . . . . A 42 VAL CG2 . 34887 1 505 . 1 . 1 42 42 VAL N N 15 117.839 0.019 . 1 . . . . A 42 VAL N . 34887 1 506 . 1 . 1 43 43 GLN H H 1 9.720 0.004 . 1 . . . . A 43 GLN H . 34887 1 507 . 1 . 1 43 43 GLN HA H 1 4.570 0.011 . 1 . . . . A 43 GLN HA . 34887 1 508 . 1 . 1 43 43 GLN HB2 H 1 1.811 0.004 . 2 . . . . A 43 GLN HB2 . 34887 1 509 . 1 . 1 43 43 GLN HB3 H 1 1.954 0.012 . 2 . . . . A 43 GLN HB3 . 34887 1 510 . 1 . 1 43 43 GLN HG2 H 1 2.198 0.005 . 2 . . . . A 43 GLN HG2 . 34887 1 511 . 1 . 1 43 43 GLN HG3 H 1 2.086 0.003 . 2 . . . . A 43 GLN HG3 . 34887 1 512 . 1 . 1 43 43 GLN HE21 H 1 7.493 0.000 . 2 . . . . A 43 GLN HE21 . 34887 1 513 . 1 . 1 43 43 GLN HE22 H 1 6.870 0.000 . 2 . . . . A 43 GLN HE22 . 34887 1 514 . 1 . 1 43 43 GLN C C 13 174.455 0.005 . 1 . . . . A 43 GLN C . 34887 1 515 . 1 . 1 43 43 GLN CA C 13 54.244 0.056 . 1 . . . . A 43 GLN CA . 34887 1 516 . 1 . 1 43 43 GLN CB C 13 31.870 0.061 . 1 . . . . A 43 GLN CB . 34887 1 517 . 1 . 1 43 43 GLN CG C 13 33.190 0.047 . 1 . . . . A 43 GLN CG . 34887 1 518 . 1 . 1 43 43 GLN N N 15 129.656 0.020 . 1 . . . . A 43 GLN N . 34887 1 519 . 1 . 1 43 43 GLN NE2 N 15 111.774 0.002 . 1 . . . . A 43 GLN NE2 . 34887 1 520 . 1 . 1 44 44 ILE H H 1 8.968 0.004 . 1 . . . . A 44 ILE H . 34887 1 521 . 1 . 1 44 44 ILE HA H 1 4.132 0.011 . 1 . . . . A 44 ILE HA . 34887 1 522 . 1 . 1 44 44 ILE HB H 1 2.149 0.005 . 1 . . . . A 44 ILE HB . 34887 1 523 . 1 . 1 44 44 ILE HG12 H 1 1.404 0.019 . 2 . . . . A 44 ILE HG12 . 34887 1 524 . 1 . 1 44 44 ILE HG13 H 1 1.404 0.019 . 2 . . . . A 44 ILE HG13 . 34887 1 525 . 1 . 1 44 44 ILE HG21 H 1 0.861 0.005 . 1 . . . . A 44 ILE HG21 . 34887 1 526 . 1 . 1 44 44 ILE HG22 H 1 0.861 0.005 . 1 . . . . A 44 ILE HG22 . 34887 1 527 . 1 . 1 44 44 ILE HG23 H 1 0.861 0.005 . 1 . . . . A 44 ILE HG23 . 34887 1 528 . 1 . 1 44 44 ILE HD11 H 1 0.671 0.005 . 1 . . . . A 44 ILE HD11 . 34887 1 529 . 1 . 1 44 44 ILE HD12 H 1 0.671 0.005 . 1 . . . . A 44 ILE HD12 . 34887 1 530 . 1 . 1 44 44 ILE HD13 H 1 0.671 0.005 . 1 . . . . A 44 ILE HD13 . 34887 1 531 . 1 . 1 44 44 ILE C C 13 176.227 0.011 . 1 . . . . A 44 ILE C . 34887 1 532 . 1 . 1 44 44 ILE CA C 13 60.631 0.020 . 1 . . . . A 44 ILE CA . 34887 1 533 . 1 . 1 44 44 ILE CB C 13 35.559 0.037 . 1 . . . . A 44 ILE CB . 34887 1 534 . 1 . 1 44 44 ILE CG1 C 13 27.394 0.028 . 1 . . . . A 44 ILE CG1 . 34887 1 535 . 1 . 1 44 44 ILE CG2 C 13 17.759 0.018 . 1 . . . . A 44 ILE CG2 . 34887 1 536 . 1 . 1 44 44 ILE CD1 C 13 10.626 0.026 . 1 . . . . A 44 ILE CD1 . 34887 1 537 . 1 . 1 44 44 ILE N N 15 124.971 0.021 . 1 . . . . A 44 ILE N . 34887 1 538 . 1 . 1 45 45 LEU H H 1 9.122 0.005 . 1 . . . . A 45 LEU H . 34887 1 539 . 1 . 1 45 45 LEU HA H 1 4.339 0.003 . 1 . . . . A 45 LEU HA . 34887 1 540 . 1 . 1 45 45 LEU HB2 H 1 1.505 0.006 . 2 . . . . A 45 LEU HB2 . 34887 1 541 . 1 . 1 45 45 LEU HB3 H 1 1.505 0.006 . 2 . . . . A 45 LEU HB3 . 34887 1 542 . 1 . 1 45 45 LEU HG H 1 1.670 0.001 . 1 . . . . A 45 LEU HG . 34887 1 543 . 1 . 1 45 45 LEU HD11 H 1 0.860 0.003 . 2 . . . . A 45 LEU HD11 . 34887 1 544 . 1 . 1 45 45 LEU HD12 H 1 0.860 0.003 . 2 . . . . A 45 LEU HD12 . 34887 1 545 . 1 . 1 45 45 LEU HD13 H 1 0.860 0.003 . 2 . . . . A 45 LEU HD13 . 34887 1 546 . 1 . 1 45 45 LEU HD21 H 1 0.775 0.002 . 2 . . . . A 45 LEU HD21 . 34887 1 547 . 1 . 1 45 45 LEU HD22 H 1 0.775 0.002 . 2 . . . . A 45 LEU HD22 . 34887 1 548 . 1 . 1 45 45 LEU HD23 H 1 0.775 0.002 . 2 . . . . A 45 LEU HD23 . 34887 1 549 . 1 . 1 45 45 LEU C C 13 177.841 0.019 . 1 . . . . A 45 LEU C . 34887 1 550 . 1 . 1 45 45 LEU CA C 13 56.237 0.054 . 1 . . . . A 45 LEU CA . 34887 1 551 . 1 . 1 45 45 LEU CB C 13 42.570 0.064 . 1 . . . . A 45 LEU CB . 34887 1 552 . 1 . 1 45 45 LEU CG C 13 26.643 0.000 . 1 . . . . A 45 LEU CG . 34887 1 553 . 1 . 1 45 45 LEU CD1 C 13 26.249 0.000 . 1 . . . . A 45 LEU CD1 . 34887 1 554 . 1 . 1 45 45 LEU CD2 C 13 21.901 0.000 . 1 . . . . A 45 LEU CD2 . 34887 1 555 . 1 . 1 45 45 LEU N N 15 130.650 0.018 . 1 . . . . A 45 LEU N . 34887 1 556 . 1 . 1 46 46 SER H H 1 7.735 0.004 . 1 . . . . A 46 SER H . 34887 1 557 . 1 . 1 46 46 SER HA H 1 4.525 0.006 . 1 . . . . A 46 SER HA . 34887 1 558 . 1 . 1 46 46 SER HB2 H 1 3.724 0.008 . 2 . . . . A 46 SER HB2 . 34887 1 559 . 1 . 1 46 46 SER HB3 H 1 3.814 0.007 . 2 . . . . A 46 SER HB3 . 34887 1 560 . 1 . 1 46 46 SER C C 13 172.154 0.014 . 1 . . . . A 46 SER C . 34887 1 561 . 1 . 1 46 46 SER CA C 13 57.702 0.025 . 1 . . . . A 46 SER CA . 34887 1 562 . 1 . 1 46 46 SER CB C 13 64.672 0.060 . 1 . . . . A 46 SER CB . 34887 1 563 . 1 . 1 46 46 SER N N 15 110.855 0.033 . 1 . . . . A 46 SER N . 34887 1 564 . 1 . 1 47 47 ALA H H 1 8.454 0.005 . 1 . . . . A 47 ALA H . 34887 1 565 . 1 . 1 47 47 ALA HA H 1 5.052 0.005 . 1 . . . . A 47 ALA HA . 34887 1 566 . 1 . 1 47 47 ALA HB1 H 1 1.429 0.003 . 1 . . . . A 47 ALA HB1 . 34887 1 567 . 1 . 1 47 47 ALA HB2 H 1 1.429 0.003 . 1 . . . . A 47 ALA HB2 . 34887 1 568 . 1 . 1 47 47 ALA HB3 H 1 1.429 0.003 . 1 . . . . A 47 ALA HB3 . 34887 1 569 . 1 . 1 47 47 ALA C C 13 174.687 0.039 . 1 . . . . A 47 ALA C . 34887 1 570 . 1 . 1 47 47 ALA CA C 13 52.257 0.014 . 1 . . . . A 47 ALA CA . 34887 1 571 . 1 . 1 47 47 ALA CB C 13 22.293 0.067 . 1 . . . . A 47 ALA CB . 34887 1 572 . 1 . 1 47 47 ALA N N 15 126.798 0.032 . 1 . . . . A 47 ALA N . 34887 1 573 . 1 . 1 48 48 GLN H H 1 8.523 0.005 . 1 . . . . A 48 GLN H . 34887 1 574 . 1 . 1 48 48 GLN HA H 1 4.762 0.004 . 1 . . . . A 48 GLN HA . 34887 1 575 . 1 . 1 48 48 GLN HB2 H 1 2.030 0.002 . 2 . . . . A 48 GLN HB2 . 34887 1 576 . 1 . 1 48 48 GLN HB3 H 1 2.030 0.002 . 2 . . . . A 48 GLN HB3 . 34887 1 577 . 1 . 1 48 48 GLN HG2 H 1 2.315 0.006 . 2 . . . . A 48 GLN HG2 . 34887 1 578 . 1 . 1 48 48 GLN HG3 H 1 2.315 0.006 . 2 . . . . A 48 GLN HG3 . 34887 1 579 . 1 . 1 48 48 GLN HE21 H 1 7.566 0.000 . 2 . . . . A 48 GLN HE21 . 34887 1 580 . 1 . 1 48 48 GLN HE22 H 1 6.910 0.000 . 2 . . . . A 48 GLN HE22 . 34887 1 581 . 1 . 1 48 48 GLN C C 13 173.779 0.000 . 1 . . . . A 48 GLN C . 34887 1 582 . 1 . 1 48 48 GLN CA C 13 52.254 0.083 . 1 . . . . A 48 GLN CA . 34887 1 583 . 1 . 1 48 48 GLN CB C 13 32.312 0.013 . 1 . . . . A 48 GLN CB . 34887 1 584 . 1 . 1 48 48 GLN CG C 13 33.562 0.000 . 1 . . . . A 48 GLN CG . 34887 1 585 . 1 . 1 48 48 GLN N N 15 121.904 0.028 . 1 . . . . A 48 GLN N . 34887 1 586 . 1 . 1 48 48 GLN NE2 N 15 112.039 0.006 . 1 . . . . A 48 GLN NE2 . 34887 1 587 . 1 . 1 49 49 PRO HA H 1 4.868 0.004 . 1 . . . . A 49 PRO HA . 34887 1 588 . 1 . 1 49 49 PRO HB2 H 1 2.493 0.005 . 2 . . . . A 49 PRO HB2 . 34887 1 589 . 1 . 1 49 49 PRO HB3 H 1 1.998 0.002 . 2 . . . . A 49 PRO HB3 . 34887 1 590 . 1 . 1 49 49 PRO HG2 H 1 1.716 0.004 . 2 . . . . A 49 PRO HG2 . 34887 1 591 . 1 . 1 49 49 PRO HG3 H 1 1.994 0.001 . 2 . . . . A 49 PRO HG3 . 34887 1 592 . 1 . 1 49 49 PRO HD2 H 1 3.662 0.006 . 2 . . . . A 49 PRO HD2 . 34887 1 593 . 1 . 1 49 49 PRO HD3 H 1 3.861 0.006 . 2 . . . . A 49 PRO HD3 . 34887 1 594 . 1 . 1 49 49 PRO C C 13 175.270 0.017 . 1 . . . . A 49 PRO C . 34887 1 595 . 1 . 1 49 49 PRO CA C 13 63.190 0.021 . 1 . . . . A 49 PRO CA . 34887 1 596 . 1 . 1 49 49 PRO CB C 13 34.307 0.038 . 1 . . . . A 49 PRO CB . 34887 1 597 . 1 . 1 49 49 PRO CG C 13 25.408 0.064 . 1 . . . . A 49 PRO CG . 34887 1 598 . 1 . 1 49 49 PRO CD C 13 50.589 0.010 . 1 . . . . A 49 PRO CD . 34887 1 599 . 1 . 1 50 50 ALA H H 1 8.540 0.005 . 1 . . . . A 50 ALA H . 34887 1 600 . 1 . 1 50 50 ALA HA H 1 4.063 0.008 . 1 . . . . A 50 ALA HA . 34887 1 601 . 1 . 1 50 50 ALA HB1 H 1 1.414 0.009 . 1 . . . . A 50 ALA HB1 . 34887 1 602 . 1 . 1 50 50 ALA HB2 H 1 1.414 0.009 . 1 . . . . A 50 ALA HB2 . 34887 1 603 . 1 . 1 50 50 ALA HB3 H 1 1.414 0.009 . 1 . . . . A 50 ALA HB3 . 34887 1 604 . 1 . 1 50 50 ALA C C 13 177.403 0.019 . 1 . . . . A 50 ALA C . 34887 1 605 . 1 . 1 50 50 ALA CA C 13 52.459 0.023 . 1 . . . . A 50 ALA CA . 34887 1 606 . 1 . 1 50 50 ALA CB C 13 20.101 0.074 . 1 . . . . A 50 ALA CB . 34887 1 607 . 1 . 1 50 50 ALA N N 15 122.512 0.027 . 1 . . . . A 50 ALA N . 34887 1 608 . 1 . 1 51 51 ASN H H 1 9.983 0.006 . 1 . . . . A 51 ASN H . 34887 1 609 . 1 . 1 51 51 ASN HA H 1 4.335 0.007 . 1 . . . . A 51 ASN HA . 34887 1 610 . 1 . 1 51 51 ASN HB2 H 1 2.870 0.005 . 2 . . . . A 51 ASN HB2 . 34887 1 611 . 1 . 1 51 51 ASN HB3 H 1 2.870 0.005 . 2 . . . . A 51 ASN HB3 . 34887 1 612 . 1 . 1 51 51 ASN HD21 H 1 7.570 0.000 . 2 . . . . A 51 ASN HD21 . 34887 1 613 . 1 . 1 51 51 ASN HD22 H 1 6.941 0.000 . 2 . . . . A 51 ASN HD22 . 34887 1 614 . 1 . 1 51 51 ASN C C 13 174.600 0.010 . 1 . . . . A 51 ASN C . 34887 1 615 . 1 . 1 51 51 ASN CA C 13 54.460 0.055 . 1 . . . . A 51 ASN CA . 34887 1 616 . 1 . 1 51 51 ASN CB C 13 36.584 0.043 . 1 . . . . A 51 ASN CB . 34887 1 617 . 1 . 1 51 51 ASN N N 15 117.952 0.034 . 1 . . . . A 51 ASN N . 34887 1 618 . 1 . 1 51 51 ASN ND2 N 15 114.323 0.000 . 1 . . . . A 51 ASN ND2 . 34887 1 619 . 1 . 1 52 52 MET H H 1 8.488 0.007 . 1 . . . . A 52 MET H . 34887 1 620 . 1 . 1 52 52 MET HA H 1 4.398 0.000 . 1 . . . . A 52 MET HA . 34887 1 621 . 1 . 1 52 52 MET HB2 H 1 0.978 0.004 . 2 . . . . A 52 MET HB2 . 34887 1 622 . 1 . 1 52 52 MET HB3 H 1 1.397 0.000 . 2 . . . . A 52 MET HB3 . 34887 1 623 . 1 . 1 52 52 MET HG2 H 1 0.990 0.001 . 2 . . . . A 52 MET HG2 . 34887 1 624 . 1 . 1 52 52 MET HG3 H 1 1.479 0.002 . 2 . . . . A 52 MET HG3 . 34887 1 625 . 1 . 1 52 52 MET HE1 H 1 1.740 0.000 . 1 . . . . A 52 MET HE1 . 34887 1 626 . 1 . 1 52 52 MET HE2 H 1 1.740 0.000 . 1 . . . . A 52 MET HE2 . 34887 1 627 . 1 . 1 52 52 MET HE3 H 1 1.740 0.000 . 1 . . . . A 52 MET HE3 . 34887 1 628 . 1 . 1 52 52 MET C C 13 175.588 0.015 . 1 . . . . A 52 MET C . 34887 1 629 . 1 . 1 52 52 MET CA C 13 56.347 0.057 . 1 . . . . A 52 MET CA . 34887 1 630 . 1 . 1 52 52 MET CB C 13 33.967 0.026 . 1 . . . . A 52 MET CB . 34887 1 631 . 1 . 1 52 52 MET CG C 13 31.392 0.035 . 1 . . . . A 52 MET CG . 34887 1 632 . 1 . 1 52 52 MET CE C 13 16.373 0.000 . 1 . . . . A 52 MET CE . 34887 1 633 . 1 . 1 52 52 MET N N 15 117.748 0.030 . 1 . . . . A 52 MET N . 34887 1 634 . 1 . 1 53 53 PHE H H 1 9.111 0.006 . 1 . . . . A 53 PHE H . 34887 1 635 . 1 . 1 53 53 PHE HA H 1 4.242 0.006 . 1 . . . . A 53 PHE HA . 34887 1 636 . 1 . 1 53 53 PHE HB2 H 1 2.349 0.003 . 2 . . . . A 53 PHE HB2 . 34887 1 637 . 1 . 1 53 53 PHE HB3 H 1 2.763 0.009 . 2 . . . . A 53 PHE HB3 . 34887 1 638 . 1 . 1 53 53 PHE HD1 H 1 6.113 0.002 . 1 . . . . A 53 PHE HD1 . 34887 1 639 . 1 . 1 53 53 PHE HD2 H 1 6.113 0.002 . 1 . . . . A 53 PHE HD2 . 34887 1 640 . 1 . 1 53 53 PHE HE1 H 1 6.471 0.002 . 1 . . . . A 53 PHE HE1 . 34887 1 641 . 1 . 1 53 53 PHE HE2 H 1 6.471 0.002 . 1 . . . . A 53 PHE HE2 . 34887 1 642 . 1 . 1 53 53 PHE C C 13 175.860 0.069 . 1 . . . . A 53 PHE C . 34887 1 643 . 1 . 1 53 53 PHE CA C 13 58.603 0.029 . 1 . . . . A 53 PHE CA . 34887 1 644 . 1 . 1 53 53 PHE CB C 13 41.466 0.037 . 1 . . . . A 53 PHE CB . 34887 1 645 . 1 . 1 53 53 PHE CD1 C 13 130.942 0.000 . 1 . . . . A 53 PHE CD1 . 34887 1 646 . 1 . 1 53 53 PHE CD2 C 13 130.942 0.000 . 1 . . . . A 53 PHE CD2 . 34887 1 647 . 1 . 1 53 53 PHE CE1 C 13 130.003 0.000 . 1 . . . . A 53 PHE CE1 . 34887 1 648 . 1 . 1 53 53 PHE CE2 C 13 130.003 0.000 . 1 . . . . A 53 PHE CE2 . 34887 1 649 . 1 . 1 53 53 PHE N N 15 116.957 0.042 . 1 . . . . A 53 PHE N . 34887 1 650 . 1 . 1 54 54 GLU H H 1 10.108 0.007 . 1 . . . . A 54 GLU H . 34887 1 651 . 1 . 1 54 54 GLU HA H 1 3.447 0.002 . 1 . . . . A 54 GLU HA . 34887 1 652 . 1 . 1 54 54 GLU HB2 H 1 1.769 0.001 . 2 . . . . A 54 GLU HB2 . 34887 1 653 . 1 . 1 54 54 GLU HB3 H 1 2.136 0.008 . 2 . . . . A 54 GLU HB3 . 34887 1 654 . 1 . 1 54 54 GLU HG2 H 1 2.737 0.002 . 2 . . . . A 54 GLU HG2 . 34887 1 655 . 1 . 1 54 54 GLU HG3 H 1 1.980 0.003 . 2 . . . . A 54 GLU HG3 . 34887 1 656 . 1 . 1 54 54 GLU C C 13 177.884 0.011 . 1 . . . . A 54 GLU C . 34887 1 657 . 1 . 1 54 54 GLU CA C 13 63.425 0.000 . 1 . . . . A 54 GLU CA . 34887 1 658 . 1 . 1 54 54 GLU CB C 13 28.775 0.091 . 1 . . . . A 54 GLU CB . 34887 1 659 . 1 . 1 54 54 GLU CG C 13 38.070 0.009 . 1 . . . . A 54 GLU CG . 34887 1 660 . 1 . 1 54 54 GLU N N 15 120.339 0.032 . 1 . . . . A 54 GLU N . 34887 1 661 . 1 . 1 55 55 ARG H H 1 8.327 0.002 . 1 . . . . A 55 ARG H . 34887 1 662 . 1 . 1 55 55 ARG HA H 1 3.838 0.004 . 1 . . . . A 55 ARG HA . 34887 1 663 . 1 . 1 55 55 ARG HB2 H 1 1.770 0.005 . 2 . . . . A 55 ARG HB2 . 34887 1 664 . 1 . 1 55 55 ARG HB3 H 1 1.769 0.009 . 2 . . . . A 55 ARG HB3 . 34887 1 665 . 1 . 1 55 55 ARG HG2 H 1 1.597 0.000 . 2 . . . . A 55 ARG HG2 . 34887 1 666 . 1 . 1 55 55 ARG HG3 H 1 1.600 0.004 . 2 . . . . A 55 ARG HG3 . 34887 1 667 . 1 . 1 55 55 ARG HD2 H 1 3.144 0.003 . 2 . . . . A 55 ARG HD2 . 34887 1 668 . 1 . 1 55 55 ARG HD3 H 1 3.144 0.003 . 2 . . . . A 55 ARG HD3 . 34887 1 669 . 1 . 1 55 55 ARG C C 13 178.723 0.000 . 1 . . . . A 55 ARG C . 34887 1 670 . 1 . 1 55 55 ARG CA C 13 59.524 0.000 . 1 . . . . A 55 ARG CA . 34887 1 671 . 1 . 1 55 55 ARG CB C 13 29.279 0.066 . 1 . . . . A 55 ARG CB . 34887 1 672 . 1 . 1 55 55 ARG CG C 13 26.908 0.026 . 1 . . . . A 55 ARG CG . 34887 1 673 . 1 . 1 55 55 ARG CD C 13 43.230 0.052 . 1 . . . . A 55 ARG CD . 34887 1 674 . 1 . 1 55 55 ARG N N 15 118.301 0.045 . 1 . . . . A 55 ARG N . 34887 1 675 . 1 . 1 56 56 GLU H H 1 8.325 0.005 . 1 . . . . A 56 GLU H . 34887 1 676 . 1 . 1 56 56 GLU HA H 1 4.246 0.004 . 1 . . . . A 56 GLU HA . 34887 1 677 . 1 . 1 56 56 GLU HB2 H 1 2.431 0.006 . 2 . . . . A 56 GLU HB2 . 34887 1 678 . 1 . 1 56 56 GLU HB3 H 1 2.007 0.005 . 2 . . . . A 56 GLU HB3 . 34887 1 679 . 1 . 1 56 56 GLU HG2 H 1 2.321 0.002 . 2 . . . . A 56 GLU HG2 . 34887 1 680 . 1 . 1 56 56 GLU HG3 H 1 2.423 0.000 . 2 . . . . A 56 GLU HG3 . 34887 1 681 . 1 . 1 56 56 GLU C C 13 181.488 0.016 . 1 . . . . A 56 GLU C . 34887 1 682 . 1 . 1 56 56 GLU CA C 13 59.068 0.087 . 1 . . . . A 56 GLU CA . 34887 1 683 . 1 . 1 56 56 GLU CB C 13 28.203 0.047 . 1 . . . . A 56 GLU CB . 34887 1 684 . 1 . 1 56 56 GLU CG C 13 36.350 0.011 . 1 . . . . A 56 GLU CG . 34887 1 685 . 1 . 1 56 56 GLU N N 15 118.485 0.022 . 1 . . . . A 56 GLU N . 34887 1 686 . 1 . 1 57 57 VAL H H 1 8.257 0.005 . 1 . . . . A 57 VAL H . 34887 1 687 . 1 . 1 57 57 VAL HA H 1 3.382 0.011 . 1 . . . . A 57 VAL HA . 34887 1 688 . 1 . 1 57 57 VAL HB H 1 2.228 0.003 . 1 . . . . A 57 VAL HB . 34887 1 689 . 1 . 1 57 57 VAL HG11 H 1 1.176 0.003 . 2 . . . . A 57 VAL HG11 . 34887 1 690 . 1 . 1 57 57 VAL HG12 H 1 1.176 0.003 . 2 . . . . A 57 VAL HG12 . 34887 1 691 . 1 . 1 57 57 VAL HG13 H 1 1.176 0.003 . 2 . . . . A 57 VAL HG13 . 34887 1 692 . 1 . 1 57 57 VAL HG21 H 1 0.695 0.004 . 2 . . . . A 57 VAL HG21 . 34887 1 693 . 1 . 1 57 57 VAL HG22 H 1 0.695 0.004 . 2 . . . . A 57 VAL HG22 . 34887 1 694 . 1 . 1 57 57 VAL HG23 H 1 0.695 0.004 . 2 . . . . A 57 VAL HG23 . 34887 1 695 . 1 . 1 57 57 VAL C C 13 176.480 0.005 . 1 . . . . A 57 VAL C . 34887 1 696 . 1 . 1 57 57 VAL CA C 13 68.161 0.019 . 1 . . . . A 57 VAL CA . 34887 1 697 . 1 . 1 57 57 VAL CB C 13 31.175 0.000 . 1 . . . . A 57 VAL CB . 34887 1 698 . 1 . 1 57 57 VAL CG1 C 13 24.298 0.078 . 1 . . . . A 57 VAL CG1 . 34887 1 699 . 1 . 1 57 57 VAL CG2 C 13 22.157 0.042 . 1 . . . . A 57 VAL CG2 . 34887 1 700 . 1 . 1 57 57 VAL N N 15 121.176 0.034 . 1 . . . . A 57 VAL N . 34887 1 701 . 1 . 1 58 58 LYS H H 1 8.167 0.004 . 1 . . . . A 58 LYS H . 34887 1 702 . 1 . 1 58 58 LYS HA H 1 3.526 0.007 . 1 . . . . A 58 LYS HA . 34887 1 703 . 1 . 1 58 58 LYS HB2 H 1 1.736 0.001 . 2 . . . . A 58 LYS HB2 . 34887 1 704 . 1 . 1 58 58 LYS HB3 H 1 1.736 0.001 . 2 . . . . A 58 LYS HB3 . 34887 1 705 . 1 . 1 58 58 LYS HG2 H 1 1.110 0.003 . 2 . . . . A 58 LYS HG2 . 34887 1 706 . 1 . 1 58 58 LYS HG3 H 1 1.539 0.013 . 2 . . . . A 58 LYS HG3 . 34887 1 707 . 1 . 1 58 58 LYS HD2 H 1 1.568 0.001 . 2 . . . . A 58 LYS HD2 . 34887 1 708 . 1 . 1 58 58 LYS HD3 H 1 1.567 0.001 . 2 . . . . A 58 LYS HD3 . 34887 1 709 . 1 . 1 58 58 LYS HE2 H 1 2.701 0.007 . 2 . . . . A 58 LYS HE2 . 34887 1 710 . 1 . 1 58 58 LYS HE3 H 1 2.704 0.007 . 2 . . . . A 58 LYS HE3 . 34887 1 711 . 1 . 1 58 58 LYS C C 13 179.152 0.037 . 1 . . . . A 58 LYS C . 34887 1 712 . 1 . 1 58 58 LYS CA C 13 60.859 0.013 . 1 . . . . A 58 LYS CA . 34887 1 713 . 1 . 1 58 58 LYS CB C 13 32.088 0.077 . 1 . . . . A 58 LYS CB . 34887 1 714 . 1 . 1 58 58 LYS CG C 13 26.775 0.014 . 1 . . . . A 58 LYS CG . 34887 1 715 . 1 . 1 58 58 LYS CD C 13 29.573 0.027 . 1 . . . . A 58 LYS CD . 34887 1 716 . 1 . 1 58 58 LYS CE C 13 41.869 0.008 . 1 . . . . A 58 LYS CE . 34887 1 717 . 1 . 1 58 58 LYS N N 15 118.727 0.021 . 1 . . . . A 58 LYS N . 34887 1 718 . 1 . 1 59 59 ASN H H 1 8.401 0.004 . 1 . . . . A 59 ASN H . 34887 1 719 . 1 . 1 59 59 ASN HA H 1 4.284 0.003 . 1 . . . . A 59 ASN HA . 34887 1 720 . 1 . 1 59 59 ASN HB2 H 1 2.774 0.007 . 2 . . . . A 59 ASN HB2 . 34887 1 721 . 1 . 1 59 59 ASN HB3 H 1 2.774 0.007 . 2 . . . . A 59 ASN HB3 . 34887 1 722 . 1 . 1 59 59 ASN HD21 H 1 7.550 0.000 . 2 . . . . A 59 ASN HD21 . 34887 1 723 . 1 . 1 59 59 ASN HD22 H 1 6.775 0.000 . 2 . . . . A 59 ASN HD22 . 34887 1 724 . 1 . 1 59 59 ASN C C 13 177.795 0.025 . 1 . . . . A 59 ASN C . 34887 1 725 . 1 . 1 59 59 ASN CA C 13 55.455 0.032 . 1 . . . . A 59 ASN CA . 34887 1 726 . 1 . 1 59 59 ASN CB C 13 37.845 0.056 . 1 . . . . A 59 ASN CB . 34887 1 727 . 1 . 1 59 59 ASN N N 15 116.349 0.023 . 1 . . . . A 59 ASN N . 34887 1 728 . 1 . 1 59 59 ASN ND2 N 15 110.817 0.005 . 1 . . . . A 59 ASN ND2 . 34887 1 729 . 1 . 1 60 60 ALA H H 1 7.580 0.006 . 1 . . . . A 60 ALA H . 34887 1 730 . 1 . 1 60 60 ALA HA H 1 4.055 0.001 . 1 . . . . A 60 ALA HA . 34887 1 731 . 1 . 1 60 60 ALA HB1 H 1 1.373 0.001 . 1 . . . . A 60 ALA HB1 . 34887 1 732 . 1 . 1 60 60 ALA HB2 H 1 1.373 0.001 . 1 . . . . A 60 ALA HB2 . 34887 1 733 . 1 . 1 60 60 ALA HB3 H 1 1.373 0.001 . 1 . . . . A 60 ALA HB3 . 34887 1 734 . 1 . 1 60 60 ALA C C 13 179.648 0.012 . 1 . . . . A 60 ALA C . 34887 1 735 . 1 . 1 60 60 ALA CA C 13 54.814 0.022 . 1 . . . . A 60 ALA CA . 34887 1 736 . 1 . 1 60 60 ALA CB C 13 18.157 0.037 . 1 . . . . A 60 ALA CB . 34887 1 737 . 1 . 1 60 60 ALA N N 15 121.028 0.022 . 1 . . . . A 60 ALA N . 34887 1 738 . 1 . 1 61 61 MET H H 1 7.642 0.005 . 1 . . . . A 61 MET H . 34887 1 739 . 1 . 1 61 61 MET HA H 1 1.894 0.001 . 1 . . . . A 61 MET HA . 34887 1 740 . 1 . 1 61 61 MET HB2 H 1 1.091 0.001 . 2 . . . . A 61 MET HB2 . 34887 1 741 . 1 . 1 61 61 MET HB3 H 1 1.189 0.009 . 2 . . . . A 61 MET HB3 . 34887 1 742 . 1 . 1 61 61 MET HG2 H 1 -0.439 0.005 . 2 . . . . A 61 MET HG2 . 34887 1 743 . 1 . 1 61 61 MET HG3 H 1 1.816 0.005 . 2 . . . . A 61 MET HG3 . 34887 1 744 . 1 . 1 61 61 MET HE1 H 1 0.786 0.000 . 1 . . . . A 61 MET HE1 . 34887 1 745 . 1 . 1 61 61 MET HE2 H 1 0.786 0.000 . 1 . . . . A 61 MET HE2 . 34887 1 746 . 1 . 1 61 61 MET HE3 H 1 0.786 0.000 . 1 . . . . A 61 MET HE3 . 34887 1 747 . 1 . 1 61 61 MET C C 13 177.904 0.024 . 1 . . . . A 61 MET C . 34887 1 748 . 1 . 1 61 61 MET CA C 13 58.682 0.031 . 1 . . . . A 61 MET CA . 34887 1 749 . 1 . 1 61 61 MET CB C 13 33.090 0.092 . 1 . . . . A 61 MET CB . 34887 1 750 . 1 . 1 61 61 MET CG C 13 31.225 0.008 . 1 . . . . A 61 MET CG . 34887 1 751 . 1 . 1 61 61 MET CE C 13 16.996 0.000 . 1 . . . . A 61 MET CE . 34887 1 752 . 1 . 1 61 61 MET N N 15 114.860 0.026 . 1 . . . . A 61 MET N . 34887 1 753 . 1 . 1 62 62 ARG H H 1 7.061 0.004 . 1 . . . . A 62 ARG H . 34887 1 754 . 1 . 1 62 62 ARG HA H 1 4.123 0.006 . 1 . . . . A 62 ARG HA . 34887 1 755 . 1 . 1 62 62 ARG HB2 H 1 1.886 0.000 . 2 . . . . A 62 ARG HB2 . 34887 1 756 . 1 . 1 62 62 ARG HB3 H 1 1.851 0.005 . 2 . . . . A 62 ARG HB3 . 34887 1 757 . 1 . 1 62 62 ARG HG2 H 1 1.821 0.006 . 2 . . . . A 62 ARG HG2 . 34887 1 758 . 1 . 1 62 62 ARG HG3 H 1 1.712 0.007 . 2 . . . . A 62 ARG HG3 . 34887 1 759 . 1 . 1 62 62 ARG HD2 H 1 3.210 0.005 . 2 . . . . A 62 ARG HD2 . 34887 1 760 . 1 . 1 62 62 ARG HD3 H 1 3.214 0.006 . 2 . . . . A 62 ARG HD3 . 34887 1 761 . 1 . 1 62 62 ARG C C 13 177.649 0.042 . 1 . . . . A 62 ARG C . 34887 1 762 . 1 . 1 62 62 ARG CA C 13 58.513 0.045 . 1 . . . . A 62 ARG CA . 34887 1 763 . 1 . 1 62 62 ARG CB C 13 30.327 0.047 . 1 . . . . A 62 ARG CB . 34887 1 764 . 1 . 1 62 62 ARG CG C 13 27.631 0.002 . 1 . . . . A 62 ARG CG . 34887 1 765 . 1 . 1 62 62 ARG CD C 13 43.446 0.007 . 1 . . . . A 62 ARG CD . 34887 1 766 . 1 . 1 62 62 ARG N N 15 115.688 0.032 . 1 . . . . A 62 ARG N . 34887 1 767 . 1 . 1 63 63 LYS H H 1 7.588 0.007 . 1 . . . . A 63 LYS H . 34887 1 768 . 1 . 1 63 63 LYS HA H 1 4.415 0.006 . 1 . . . . A 63 LYS HA . 34887 1 769 . 1 . 1 63 63 LYS HB2 H 1 2.012 0.001 . 2 . . . . A 63 LYS HB2 . 34887 1 770 . 1 . 1 63 63 LYS HB3 H 1 2.092 0.000 . 2 . . . . A 63 LYS HB3 . 34887 1 771 . 1 . 1 63 63 LYS HG2 H 1 1.405 0.004 . 2 . . . . A 63 LYS HG2 . 34887 1 772 . 1 . 1 63 63 LYS HG3 H 1 1.525 0.008 . 2 . . . . A 63 LYS HG3 . 34887 1 773 . 1 . 1 63 63 LYS HD2 H 1 1.697 0.004 . 2 . . . . A 63 LYS HD2 . 34887 1 774 . 1 . 1 63 63 LYS HD3 H 1 1.657 0.002 . 2 . . . . A 63 LYS HD3 . 34887 1 775 . 1 . 1 63 63 LYS HE2 H 1 2.969 0.004 . 2 . . . . A 63 LYS HE2 . 34887 1 776 . 1 . 1 63 63 LYS HE3 H 1 2.969 0.004 . 2 . . . . A 63 LYS HE3 . 34887 1 777 . 1 . 1 63 63 LYS C C 13 177.263 0.034 . 1 . . . . A 63 LYS C . 34887 1 778 . 1 . 1 63 63 LYS CA C 13 55.861 0.055 . 1 . . . . A 63 LYS CA . 34887 1 779 . 1 . 1 63 63 LYS CB C 13 33.335 0.043 . 1 . . . . A 63 LYS CB . 34887 1 780 . 1 . 1 63 63 LYS CG C 13 25.298 0.056 . 1 . . . . A 63 LYS CG . 34887 1 781 . 1 . 1 63 63 LYS CD C 13 29.287 0.000 . 1 . . . . A 63 LYS CD . 34887 1 782 . 1 . 1 63 63 LYS CE C 13 42.194 0.017 . 1 . . . . A 63 LYS CE . 34887 1 783 . 1 . 1 63 63 LYS N N 15 115.569 0.025 . 1 . . . . A 63 LYS N . 34887 1 784 . 1 . 1 64 64 TRP H H 1 7.640 0.004 . 1 . . . . A 64 TRP H . 34887 1 785 . 1 . 1 64 64 TRP HA H 1 4.999 0.010 . 1 . . . . A 64 TRP HA . 34887 1 786 . 1 . 1 64 64 TRP HB2 H 1 3.575 0.005 . 2 . . . . A 64 TRP HB2 . 34887 1 787 . 1 . 1 64 64 TRP HB3 H 1 3.086 0.008 . 2 . . . . A 64 TRP HB3 . 34887 1 788 . 1 . 1 64 64 TRP HD1 H 1 7.296 0.003 . 1 . . . . A 64 TRP HD1 . 34887 1 789 . 1 . 1 64 64 TRP HE1 H 1 10.542 0.000 . 1 . . . . A 64 TRP HE1 . 34887 1 790 . 1 . 1 64 64 TRP HE3 H 1 7.333 0.000 . 1 . . . . A 64 TRP HE3 . 34887 1 791 . 1 . 1 64 64 TRP HZ2 H 1 6.911 0.000 . 1 . . . . A 64 TRP HZ2 . 34887 1 792 . 1 . 1 64 64 TRP HZ3 H 1 6.685 0.000 . 1 . . . . A 64 TRP HZ3 . 34887 1 793 . 1 . 1 64 64 TRP HH2 H 1 6.837 0.000 . 1 . . . . A 64 TRP HH2 . 34887 1 794 . 1 . 1 64 64 TRP C C 13 176.729 0.027 . 1 . . . . A 64 TRP C . 34887 1 795 . 1 . 1 64 64 TRP CA C 13 57.186 0.027 . 1 . . . . A 64 TRP CA . 34887 1 796 . 1 . 1 64 64 TRP CB C 13 30.388 0.039 . 1 . . . . A 64 TRP CB . 34887 1 797 . 1 . 1 64 64 TRP CD1 C 13 127.543 0.000 . 1 . . . . A 64 TRP CD1 . 34887 1 798 . 1 . 1 64 64 TRP CE3 C 13 120.636 0.000 . 1 . . . . A 64 TRP CE3 . 34887 1 799 . 1 . 1 64 64 TRP CZ2 C 13 113.392 0.000 . 1 . . . . A 64 TRP CZ2 . 34887 1 800 . 1 . 1 64 64 TRP CZ3 C 13 121.615 0.000 . 1 . . . . A 64 TRP CZ3 . 34887 1 801 . 1 . 1 64 64 TRP CH2 C 13 123.574 0.000 . 1 . . . . A 64 TRP CH2 . 34887 1 802 . 1 . 1 64 64 TRP N N 15 121.708 0.017 . 1 . . . . A 64 TRP N . 34887 1 803 . 1 . 1 64 64 TRP NE1 N 15 128.342 0.000 . 1 . . . . A 64 TRP NE1 . 34887 1 804 . 1 . 1 65 65 ARG H H 1 9.173 0.005 . 1 . . . . A 65 ARG H . 34887 1 805 . 1 . 1 65 65 ARG HA H 1 5.196 0.007 . 1 . . . . A 65 ARG HA . 34887 1 806 . 1 . 1 65 65 ARG HB2 H 1 1.799 0.013 . 2 . . . . A 65 ARG HB2 . 34887 1 807 . 1 . 1 65 65 ARG HB3 H 1 1.839 0.000 . 2 . . . . A 65 ARG HB3 . 34887 1 808 . 1 . 1 65 65 ARG HG2 H 1 1.730 0.001 . 2 . . . . A 65 ARG HG2 . 34887 1 809 . 1 . 1 65 65 ARG HG3 H 1 1.730 0.001 . 2 . . . . A 65 ARG HG3 . 34887 1 810 . 1 . 1 65 65 ARG HD2 H 1 3.358 0.001 . 2 . . . . A 65 ARG HD2 . 34887 1 811 . 1 . 1 65 65 ARG HD3 H 1 3.291 0.008 . 2 . . . . A 65 ARG HD3 . 34887 1 812 . 1 . 1 65 65 ARG C C 13 174.239 0.012 . 1 . . . . A 65 ARG C . 34887 1 813 . 1 . 1 65 65 ARG CA C 13 54.680 0.064 . 1 . . . . A 65 ARG CA . 34887 1 814 . 1 . 1 65 65 ARG CB C 13 34.026 0.050 . 1 . . . . A 65 ARG CB . 34887 1 815 . 1 . 1 65 65 ARG CG C 13 26.934 0.064 . 1 . . . . A 65 ARG CG . 34887 1 816 . 1 . 1 65 65 ARG CD C 13 43.091 0.017 . 1 . . . . A 65 ARG CD . 34887 1 817 . 1 . 1 65 65 ARG N N 15 119.903 0.019 . 1 . . . . A 65 ARG N . 34887 1 818 . 1 . 1 66 66 TYR H H 1 9.555 0.004 . 1 . . . . A 66 TYR H . 34887 1 819 . 1 . 1 66 66 TYR HA H 1 4.743 0.002 . 1 . . . . A 66 TYR HA . 34887 1 820 . 1 . 1 66 66 TYR HB2 H 1 3.248 0.006 . 2 . . . . A 66 TYR HB2 . 34887 1 821 . 1 . 1 66 66 TYR HB3 H 1 2.527 0.002 . 2 . . . . A 66 TYR HB3 . 34887 1 822 . 1 . 1 66 66 TYR HD1 H 1 6.861 0.002 . 1 . . . . A 66 TYR HD1 . 34887 1 823 . 1 . 1 66 66 TYR HD2 H 1 6.861 0.002 . 1 . . . . A 66 TYR HD2 . 34887 1 824 . 1 . 1 66 66 TYR HE1 H 1 6.667 0.002 . 1 . . . . A 66 TYR HE1 . 34887 1 825 . 1 . 1 66 66 TYR HE2 H 1 6.667 0.002 . 1 . . . . A 66 TYR HE2 . 34887 1 826 . 1 . 1 66 66 TYR C C 13 174.541 0.044 . 1 . . . . A 66 TYR C . 34887 1 827 . 1 . 1 66 66 TYR CA C 13 56.492 0.034 . 1 . . . . A 66 TYR CA . 34887 1 828 . 1 . 1 66 66 TYR CB C 13 41.950 0.032 . 1 . . . . A 66 TYR CB . 34887 1 829 . 1 . 1 66 66 TYR CD1 C 13 132.628 0.000 . 1 . . . . A 66 TYR CD1 . 34887 1 830 . 1 . 1 66 66 TYR CD2 C 13 132.628 0.000 . 1 . . . . A 66 TYR CD2 . 34887 1 831 . 1 . 1 66 66 TYR CE1 C 13 117.125 0.000 . 1 . . . . A 66 TYR CE1 . 34887 1 832 . 1 . 1 66 66 TYR CE2 C 13 117.125 0.000 . 1 . . . . A 66 TYR CE2 . 34887 1 833 . 1 . 1 66 66 TYR N N 15 126.910 0.026 . 1 . . . . A 66 TYR N . 34887 1 834 . 1 . 1 67 67 GLU H H 1 8.807 0.005 . 1 . . . . A 67 GLU H . 34887 1 835 . 1 . 1 67 67 GLU HA H 1 4.064 0.006 . 1 . . . . A 67 GLU HA . 34887 1 836 . 1 . 1 67 67 GLU HB2 H 1 1.995 0.004 . 2 . . . . A 67 GLU HB2 . 34887 1 837 . 1 . 1 67 67 GLU HB3 H 1 1.995 0.004 . 2 . . . . A 67 GLU HB3 . 34887 1 838 . 1 . 1 67 67 GLU HG2 H 1 2.429 0.004 . 2 . . . . A 67 GLU HG2 . 34887 1 839 . 1 . 1 67 67 GLU HG3 H 1 2.312 0.010 . 2 . . . . A 67 GLU HG3 . 34887 1 840 . 1 . 1 67 67 GLU C C 13 176.345 0.018 . 1 . . . . A 67 GLU C . 34887 1 841 . 1 . 1 67 67 GLU CA C 13 57.363 0.026 . 1 . . . . A 67 GLU CA . 34887 1 842 . 1 . 1 67 67 GLU CB C 13 31.089 0.036 . 1 . . . . A 67 GLU CB . 34887 1 843 . 1 . 1 67 67 GLU CG C 13 36.376 0.053 . 1 . . . . A 67 GLU CG . 34887 1 844 . 1 . 1 67 67 GLU N N 15 120.235 0.014 . 1 . . . . A 67 GLU N . 34887 1 845 . 1 . 1 68 68 ALA H H 1 8.661 0.005 . 1 . . . . A 68 ALA H . 34887 1 846 . 1 . 1 68 68 ALA HA H 1 4.058 0.004 . 1 . . . . A 68 ALA HA . 34887 1 847 . 1 . 1 68 68 ALA HB1 H 1 1.425 0.003 . 1 . . . . A 68 ALA HB1 . 34887 1 848 . 1 . 1 68 68 ALA HB2 H 1 1.425 0.003 . 1 . . . . A 68 ALA HB2 . 34887 1 849 . 1 . 1 68 68 ALA HB3 H 1 1.425 0.003 . 1 . . . . A 68 ALA HB3 . 34887 1 850 . 1 . 1 68 68 ALA C C 13 177.843 0.029 . 1 . . . . A 68 ALA C . 34887 1 851 . 1 . 1 68 68 ALA CA C 13 52.457 0.017 . 1 . . . . A 68 ALA CA . 34887 1 852 . 1 . 1 68 68 ALA CB C 13 19.426 0.031 . 1 . . . . A 68 ALA CB . 34887 1 853 . 1 . 1 68 68 ALA N N 15 127.605 0.020 . 1 . . . . A 68 ALA N . 34887 1 854 . 1 . 1 69 69 GLY H H 1 9.008 0.004 . 1 . . . . A 69 GLY H . 34887 1 855 . 1 . 1 69 69 GLY HA2 H 1 3.793 0.003 . 2 . . . . A 69 GLY HA2 . 34887 1 856 . 1 . 1 69 69 GLY HA3 H 1 4.119 0.005 . 2 . . . . A 69 GLY HA3 . 34887 1 857 . 1 . 1 69 69 GLY C C 13 174.225 0.009 . 1 . . . . A 69 GLY C . 34887 1 858 . 1 . 1 69 69 GLY CA C 13 45.508 0.026 . 1 . . . . A 69 GLY CA . 34887 1 859 . 1 . 1 69 69 GLY N N 15 107.947 0.013 . 1 . . . . A 69 GLY N . 34887 1 860 . 1 . 1 70 70 LYS H H 1 8.721 0.004 . 1 . . . . A 70 LYS H . 34887 1 861 . 1 . 1 70 70 LYS HA H 1 4.651 0.004 . 1 . . . . A 70 LYS HA . 34887 1 862 . 1 . 1 70 70 LYS HB2 H 1 1.631 0.006 . 2 . . . . A 70 LYS HB2 . 34887 1 863 . 1 . 1 70 70 LYS HB3 H 1 1.496 0.011 . 2 . . . . A 70 LYS HB3 . 34887 1 864 . 1 . 1 70 70 LYS HG2 H 1 1.195 0.002 . 2 . . . . A 70 LYS HG2 . 34887 1 865 . 1 . 1 70 70 LYS HG3 H 1 1.196 0.003 . 2 . . . . A 70 LYS HG3 . 34887 1 866 . 1 . 1 70 70 LYS HD2 H 1 1.458 0.004 . 2 . . . . A 70 LYS HD2 . 34887 1 867 . 1 . 1 70 70 LYS HD3 H 1 1.610 0.001 . 2 . . . . A 70 LYS HD3 . 34887 1 868 . 1 . 1 70 70 LYS HE2 H 1 2.894 0.004 . 2 . . . . A 70 LYS HE2 . 34887 1 869 . 1 . 1 70 70 LYS HE3 H 1 2.894 0.004 . 2 . . . . A 70 LYS HE3 . 34887 1 870 . 1 . 1 70 70 LYS C C 13 171.679 0.000 . 1 . . . . A 70 LYS C . 34887 1 871 . 1 . 1 70 70 LYS CA C 13 53.994 0.077 . 1 . . . . A 70 LYS CA . 34887 1 872 . 1 . 1 70 70 LYS CB C 13 34.329 0.045 . 1 . . . . A 70 LYS CB . 34887 1 873 . 1 . 1 70 70 LYS CG C 13 24.881 0.010 . 1 . . . . A 70 LYS CG . 34887 1 874 . 1 . 1 70 70 LYS CD C 13 29.719 0.033 . 1 . . . . A 70 LYS CD . 34887 1 875 . 1 . 1 70 70 LYS CE C 13 42.471 0.036 . 1 . . . . A 70 LYS CE . 34887 1 876 . 1 . 1 70 70 LYS N N 15 121.816 0.013 . 1 . . . . A 70 LYS N . 34887 1 877 . 1 . 1 71 71 PRO HA H 1 4.126 0.000 . 1 . . . . A 71 PRO HA . 34887 1 878 . 1 . 1 71 71 PRO HB2 H 1 1.818 0.003 . 2 . . . . A 71 PRO HB2 . 34887 1 879 . 1 . 1 71 71 PRO HB3 H 1 2.009 0.004 . 2 . . . . A 71 PRO HB3 . 34887 1 880 . 1 . 1 71 71 PRO HG2 H 1 1.846 0.003 . 2 . . . . A 71 PRO HG2 . 34887 1 881 . 1 . 1 71 71 PRO HG3 H 1 1.840 0.009 . 2 . . . . A 71 PRO HG3 . 34887 1 882 . 1 . 1 71 71 PRO HD2 H 1 3.590 0.006 . 2 . . . . A 71 PRO HD2 . 34887 1 883 . 1 . 1 71 71 PRO HD3 H 1 3.121 0.010 . 2 . . . . A 71 PRO HD3 . 34887 1 884 . 1 . 1 71 71 PRO C C 13 177.175 0.035 . 1 . . . . A 71 PRO C . 34887 1 885 . 1 . 1 71 71 PRO CA C 13 62.659 0.012 . 1 . . . . A 71 PRO CA . 34887 1 886 . 1 . 1 71 71 PRO CB C 13 33.378 0.086 . 1 . . . . A 71 PRO CB . 34887 1 887 . 1 . 1 71 71 PRO CG C 13 26.934 0.027 . 1 . . . . A 71 PRO CG . 34887 1 888 . 1 . 1 71 71 PRO CD C 13 50.028 0.076 . 1 . . . . A 71 PRO CD . 34887 1 889 . 1 . 1 72 72 GLY H H 1 8.457 0.007 . 1 . . . . A 72 GLY H . 34887 1 890 . 1 . 1 72 72 GLY HA2 H 1 3.475 0.004 . 2 . . . . A 72 GLY HA2 . 34887 1 891 . 1 . 1 72 72 GLY HA3 H 1 4.279 0.007 . 2 . . . . A 72 GLY HA3 . 34887 1 892 . 1 . 1 72 72 GLY C C 13 171.177 0.015 . 1 . . . . A 72 GLY C . 34887 1 893 . 1 . 1 72 72 GLY CA C 13 45.796 0.032 . 1 . . . . A 72 GLY CA . 34887 1 894 . 1 . 1 72 72 GLY N N 15 104.661 0.039 . 1 . . . . A 72 GLY N . 34887 1 895 . 1 . 1 73 73 SER H H 1 8.536 0.004 . 1 . . . . A 73 SER H . 34887 1 896 . 1 . 1 73 73 SER HA H 1 5.065 0.003 . 1 . . . . A 73 SER HA . 34887 1 897 . 1 . 1 73 73 SER HB2 H 1 3.624 0.002 . 2 . . . . A 73 SER HB2 . 34887 1 898 . 1 . 1 73 73 SER HB3 H 1 3.587 0.001 . 2 . . . . A 73 SER HB3 . 34887 1 899 . 1 . 1 73 73 SER C C 13 174.795 0.008 . 1 . . . . A 73 SER C . 34887 1 900 . 1 . 1 73 73 SER CA C 13 56.070 0.085 . 1 . . . . A 73 SER CA . 34887 1 901 . 1 . 1 73 73 SER CB C 13 65.178 0.036 . 1 . . . . A 73 SER CB . 34887 1 902 . 1 . 1 73 73 SER N N 15 116.338 0.040 . 1 . . . . A 73 SER N . 34887 1 903 . 1 . 1 74 74 GLY H H 1 9.006 0.005 . 1 . . . . A 74 GLY H . 34887 1 904 . 1 . 1 74 74 GLY HA2 H 1 3.469 0.003 . 2 . . . . A 74 GLY HA2 . 34887 1 905 . 1 . 1 74 74 GLY HA3 H 1 3.652 0.002 . 2 . . . . A 74 GLY HA3 . 34887 1 906 . 1 . 1 74 74 GLY C C 13 175.122 0.039 . 1 . . . . A 74 GLY C . 34887 1 907 . 1 . 1 74 74 GLY CA C 13 47.618 0.056 . 1 . . . . A 74 GLY CA . 34887 1 908 . 1 . 1 74 74 GLY N N 15 114.884 0.020 . 1 . . . . A 74 GLY N . 34887 1 909 . 1 . 1 75 75 LEU H H 1 8.306 0.004 . 1 . . . . A 75 LEU H . 34887 1 910 . 1 . 1 75 75 LEU HA H 1 3.844 0.004 . 1 . . . . A 75 LEU HA . 34887 1 911 . 1 . 1 75 75 LEU HB2 H 1 0.938 0.006 . 2 . . . . A 75 LEU HB2 . 34887 1 912 . 1 . 1 75 75 LEU HB3 H 1 -0.076 0.004 . 2 . . . . A 75 LEU HB3 . 34887 1 913 . 1 . 1 75 75 LEU HG H 1 1.348 0.000 . 1 . . . . A 75 LEU HG . 34887 1 914 . 1 . 1 75 75 LEU HD11 H 1 0.487 0.002 . 2 . . . . A 75 LEU HD11 . 34887 1 915 . 1 . 1 75 75 LEU HD12 H 1 0.487 0.002 . 2 . . . . A 75 LEU HD12 . 34887 1 916 . 1 . 1 75 75 LEU HD13 H 1 0.487 0.002 . 2 . . . . A 75 LEU HD13 . 34887 1 917 . 1 . 1 75 75 LEU HD21 H 1 0.618 0.005 . 2 . . . . A 75 LEU HD21 . 34887 1 918 . 1 . 1 75 75 LEU HD22 H 1 0.618 0.005 . 2 . . . . A 75 LEU HD22 . 34887 1 919 . 1 . 1 75 75 LEU HD23 H 1 0.618 0.005 . 2 . . . . A 75 LEU HD23 . 34887 1 920 . 1 . 1 75 75 LEU C C 13 174.976 0.023 . 1 . . . . A 75 LEU C . 34887 1 921 . 1 . 1 75 75 LEU CA C 13 57.046 0.042 . 1 . . . . A 75 LEU CA . 34887 1 922 . 1 . 1 75 75 LEU CB C 13 41.304 0.050 . 1 . . . . A 75 LEU CB . 34887 1 923 . 1 . 1 75 75 LEU CG C 13 29.908 0.013 . 1 . . . . A 75 LEU CG . 34887 1 924 . 1 . 1 75 75 LEU CD1 C 13 25.088 0.075 . 1 . . . . A 75 LEU CD1 . 34887 1 925 . 1 . 1 75 75 LEU CD2 C 13 25.686 0.002 . 1 . . . . A 75 LEU CD2 . 34887 1 926 . 1 . 1 75 75 LEU N N 15 123.919 0.016 . 1 . . . . A 75 LEU N . 34887 1 927 . 1 . 1 76 76 VAL H H 1 7.716 0.004 . 1 . . . . A 76 VAL H . 34887 1 928 . 1 . 1 76 76 VAL HA H 1 5.525 0.000 . 1 . . . . A 76 VAL HA . 34887 1 929 . 1 . 1 76 76 VAL HB H 1 1.746 0.005 . 1 . . . . A 76 VAL HB . 34887 1 930 . 1 . 1 76 76 VAL HG11 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG11 . 34887 1 931 . 1 . 1 76 76 VAL HG12 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG12 . 34887 1 932 . 1 . 1 76 76 VAL HG13 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG13 . 34887 1 933 . 1 . 1 76 76 VAL HG21 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG21 . 34887 1 934 . 1 . 1 76 76 VAL HG22 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG22 . 34887 1 935 . 1 . 1 76 76 VAL HG23 H 1 0.798 0.004 . 2 . . . . A 76 VAL HG23 . 34887 1 936 . 1 . 1 76 76 VAL C C 13 177.596 0.023 . 1 . . . . A 76 VAL C . 34887 1 937 . 1 . 1 76 76 VAL CA C 13 60.303 0.021 . 1 . . . . A 76 VAL CA . 34887 1 938 . 1 . 1 76 76 VAL CB C 13 35.516 0.047 . 1 . . . . A 76 VAL CB . 34887 1 939 . 1 . 1 76 76 VAL CG1 C 13 21.551 0.011 . 1 . . . . A 76 VAL CG1 . 34887 1 940 . 1 . 1 76 76 VAL CG2 C 13 21.551 0.011 . 1 . . . . A 76 VAL CG2 . 34887 1 941 . 1 . 1 76 76 VAL N N 15 115.937 0.030 . 1 . . . . A 76 VAL N . 34887 1 942 . 1 . 1 77 77 VAL H H 1 9.027 0.006 . 1 . . . . A 77 VAL H . 34887 1 943 . 1 . 1 77 77 VAL HA H 1 4.882 0.010 . 1 . . . . A 77 VAL HA . 34887 1 944 . 1 . 1 77 77 VAL HB H 1 2.248 0.003 . 1 . . . . A 77 VAL HB . 34887 1 945 . 1 . 1 77 77 VAL HG11 H 1 1.139 0.008 . 2 . . . . A 77 VAL HG11 . 34887 1 946 . 1 . 1 77 77 VAL HG12 H 1 1.139 0.008 . 2 . . . . A 77 VAL HG12 . 34887 1 947 . 1 . 1 77 77 VAL HG13 H 1 1.139 0.008 . 2 . . . . A 77 VAL HG13 . 34887 1 948 . 1 . 1 77 77 VAL HG21 H 1 1.115 0.005 . 2 . . . . A 77 VAL HG21 . 34887 1 949 . 1 . 1 77 77 VAL HG22 H 1 1.115 0.005 . 2 . . . . A 77 VAL HG22 . 34887 1 950 . 1 . 1 77 77 VAL HG23 H 1 1.115 0.005 . 2 . . . . A 77 VAL HG23 . 34887 1 951 . 1 . 1 77 77 VAL C C 13 172.816 0.009 . 1 . . . . A 77 VAL C . 34887 1 952 . 1 . 1 77 77 VAL CA C 13 59.676 0.092 . 1 . . . . A 77 VAL CA . 34887 1 953 . 1 . 1 77 77 VAL CB C 13 36.625 0.023 . 1 . . . . A 77 VAL CB . 34887 1 954 . 1 . 1 77 77 VAL CG1 C 13 22.068 0.003 . 1 . . . . A 77 VAL CG1 . 34887 1 955 . 1 . 1 77 77 VAL CG2 C 13 21.008 0.025 . 1 . . . . A 77 VAL CG2 . 34887 1 956 . 1 . 1 77 77 VAL N N 15 121.824 0.023 . 1 . . . . A 77 VAL N . 34887 1 957 . 1 . 1 78 78 ASN H H 1 8.914 0.004 . 1 . . . . A 78 ASN H . 34887 1 958 . 1 . 1 78 78 ASN HA H 1 5.547 0.002 . 1 . . . . A 78 ASN HA . 34887 1 959 . 1 . 1 78 78 ASN HB2 H 1 2.709 0.002 . 2 . . . . A 78 ASN HB2 . 34887 1 960 . 1 . 1 78 78 ASN HB3 H 1 2.380 0.006 . 2 . . . . A 78 ASN HB3 . 34887 1 961 . 1 . 1 78 78 ASN HD21 H 1 7.687 0.000 . 2 . . . . A 78 ASN HD21 . 34887 1 962 . 1 . 1 78 78 ASN HD22 H 1 6.642 0.000 . 2 . . . . A 78 ASN HD22 . 34887 1 963 . 1 . 1 78 78 ASN C C 13 173.700 0.044 . 1 . . . . A 78 ASN C . 34887 1 964 . 1 . 1 78 78 ASN CA C 13 52.306 0.072 . 1 . . . . A 78 ASN CA . 34887 1 965 . 1 . 1 78 78 ASN CB C 13 42.038 0.010 . 1 . . . . A 78 ASN CB . 34887 1 966 . 1 . 1 78 78 ASN N N 15 121.735 0.024 . 1 . . . . A 78 ASN N . 34887 1 967 . 1 . 1 78 78 ASN ND2 N 15 113.298 0.006 . 1 . . . . A 78 ASN ND2 . 34887 1 968 . 1 . 1 79 79 ILE H H 1 9.390 0.005 . 1 . . . . A 79 ILE H . 34887 1 969 . 1 . 1 79 79 ILE HA H 1 4.801 0.010 . 1 . . . . A 79 ILE HA . 34887 1 970 . 1 . 1 79 79 ILE HB H 1 1.670 0.004 . 1 . . . . A 79 ILE HB . 34887 1 971 . 1 . 1 79 79 ILE HG12 H 1 1.575 0.002 . 2 . . . . A 79 ILE HG12 . 34887 1 972 . 1 . 1 79 79 ILE HG13 H 1 1.038 0.004 . 2 . . . . A 79 ILE HG13 . 34887 1 973 . 1 . 1 79 79 ILE HG21 H 1 0.193 0.000 . 1 . . . . A 79 ILE HG21 . 34887 1 974 . 1 . 1 79 79 ILE HG22 H 1 0.193 0.000 . 1 . . . . A 79 ILE HG22 . 34887 1 975 . 1 . 1 79 79 ILE HG23 H 1 0.193 0.000 . 1 . . . . A 79 ILE HG23 . 34887 1 976 . 1 . 1 79 79 ILE HD11 H 1 0.825 0.003 . 1 . . . . A 79 ILE HD11 . 34887 1 977 . 1 . 1 79 79 ILE HD12 H 1 0.825 0.003 . 1 . . . . A 79 ILE HD12 . 34887 1 978 . 1 . 1 79 79 ILE HD13 H 1 0.825 0.003 . 1 . . . . A 79 ILE HD13 . 34887 1 979 . 1 . 1 79 79 ILE C C 13 174.381 0.019 . 1 . . . . A 79 ILE C . 34887 1 980 . 1 . 1 79 79 ILE CA C 13 60.163 0.026 . 1 . . . . A 79 ILE CA . 34887 1 981 . 1 . 1 79 79 ILE CB C 13 39.520 0.055 . 1 . . . . A 79 ILE CB . 34887 1 982 . 1 . 1 79 79 ILE CG1 C 13 28.160 0.017 . 1 . . . . A 79 ILE CG1 . 34887 1 983 . 1 . 1 79 79 ILE CG2 C 13 18.565 0.029 . 1 . . . . A 79 ILE CG2 . 34887 1 984 . 1 . 1 79 79 ILE CD1 C 13 14.398 0.019 . 1 . . . . A 79 ILE CD1 . 34887 1 985 . 1 . 1 79 79 ILE N N 15 122.713 0.024 . 1 . . . . A 79 ILE N . 34887 1 986 . 1 . 1 80 80 ILE H H 1 8.881 0.005 . 1 . . . . A 80 ILE H . 34887 1 987 . 1 . 1 80 80 ILE HA H 1 4.507 0.000 . 1 . . . . A 80 ILE HA . 34887 1 988 . 1 . 1 80 80 ILE HB H 1 1.664 0.002 . 1 . . . . A 80 ILE HB . 34887 1 989 . 1 . 1 80 80 ILE HG12 H 1 0.977 0.004 . 2 . . . . A 80 ILE HG12 . 34887 1 990 . 1 . 1 80 80 ILE HG13 H 1 1.324 0.005 . 2 . . . . A 80 ILE HG13 . 34887 1 991 . 1 . 1 80 80 ILE HG21 H 1 0.773 0.006 . 1 . . . . A 80 ILE HG21 . 34887 1 992 . 1 . 1 80 80 ILE HG22 H 1 0.773 0.006 . 1 . . . . A 80 ILE HG22 . 34887 1 993 . 1 . 1 80 80 ILE HG23 H 1 0.773 0.006 . 1 . . . . A 80 ILE HG23 . 34887 1 994 . 1 . 1 80 80 ILE HD11 H 1 0.695 0.005 . 1 . . . . A 80 ILE HD11 . 34887 1 995 . 1 . 1 80 80 ILE HD12 H 1 0.695 0.005 . 1 . . . . A 80 ILE HD12 . 34887 1 996 . 1 . 1 80 80 ILE HD13 H 1 0.695 0.005 . 1 . . . . A 80 ILE HD13 . 34887 1 997 . 1 . 1 80 80 ILE C C 13 175.180 0.007 . 1 . . . . A 80 ILE C . 34887 1 998 . 1 . 1 80 80 ILE CA C 13 60.092 0.039 . 1 . . . . A 80 ILE CA . 34887 1 999 . 1 . 1 80 80 ILE CB C 13 40.226 0.039 . 1 . . . . A 80 ILE CB . 34887 1 1000 . 1 . 1 80 80 ILE CG1 C 13 28.144 0.023 . 1 . . . . A 80 ILE CG1 . 34887 1 1001 . 1 . 1 80 80 ILE CG2 C 13 18.275 0.053 . 1 . . . . A 80 ILE CG2 . 34887 1 1002 . 1 . 1 80 80 ILE CD1 C 13 13.473 0.055 . 1 . . . . A 80 ILE CD1 . 34887 1 1003 . 1 . 1 80 80 ILE N N 15 127.652 0.034 . 1 . . . . A 80 ILE N . 34887 1 1004 . 1 . 1 81 81 PHE H H 1 8.921 0.004 . 1 . . . . A 81 PHE H . 34887 1 1005 . 1 . 1 81 81 PHE HA H 1 4.500 0.004 . 1 . . . . A 81 PHE HA . 34887 1 1006 . 1 . 1 81 81 PHE HB2 H 1 2.569 0.003 . 2 . . . . A 81 PHE HB2 . 34887 1 1007 . 1 . 1 81 81 PHE HB3 H 1 1.983 0.006 . 2 . . . . A 81 PHE HB3 . 34887 1 1008 . 1 . 1 81 81 PHE HD1 H 1 6.359 0.003 . 1 . . . . A 81 PHE HD1 . 34887 1 1009 . 1 . 1 81 81 PHE HD2 H 1 6.359 0.003 . 1 . . . . A 81 PHE HD2 . 34887 1 1010 . 1 . 1 81 81 PHE HE1 H 1 6.792 0.004 . 1 . . . . A 81 PHE HE1 . 34887 1 1011 . 1 . 1 81 81 PHE HE2 H 1 6.792 0.004 . 1 . . . . A 81 PHE HE2 . 34887 1 1012 . 1 . 1 81 81 PHE C C 13 175.209 0.011 . 1 . . . . A 81 PHE C . 34887 1 1013 . 1 . 1 81 81 PHE CA C 13 57.715 0.015 . 1 . . . . A 81 PHE CA . 34887 1 1014 . 1 . 1 81 81 PHE CB C 13 39.389 0.041 . 1 . . . . A 81 PHE CB . 34887 1 1015 . 1 . 1 81 81 PHE CD1 C 13 131.621 0.000 . 1 . . . . A 81 PHE CD1 . 34887 1 1016 . 1 . 1 81 81 PHE CD2 C 13 131.621 0.000 . 1 . . . . A 81 PHE CD2 . 34887 1 1017 . 1 . 1 81 81 PHE CE1 C 13 130.125 0.000 . 1 . . . . A 81 PHE CE1 . 34887 1 1018 . 1 . 1 81 81 PHE CE2 C 13 130.125 0.000 . 1 . . . . A 81 PHE CE2 . 34887 1 1019 . 1 . 1 81 81 PHE N N 15 126.594 0.026 . 1 . . . . A 81 PHE N . 34887 1 1020 . 1 . 1 82 82 ARG H H 1 8.431 0.005 . 1 . . . . A 82 ARG H . 34887 1 1021 . 1 . 1 82 82 ARG HA H 1 4.743 0.000 . 1 . . . . A 82 ARG HA . 34887 1 1022 . 1 . 1 82 82 ARG HB2 H 1 1.851 0.004 . 2 . . . . A 82 ARG HB2 . 34887 1 1023 . 1 . 1 82 82 ARG HB3 H 1 1.851 0.004 . 2 . . . . A 82 ARG HB3 . 34887 1 1024 . 1 . 1 82 82 ARG HG2 H 1 1.781 0.000 . 2 . . . . A 82 ARG HG2 . 34887 1 1025 . 1 . 1 82 82 ARG HG3 H 1 1.781 0.000 . 2 . . . . A 82 ARG HG3 . 34887 1 1026 . 1 . 1 82 82 ARG HD2 H 1 3.093 0.007 . 2 . . . . A 82 ARG HD2 . 34887 1 1027 . 1 . 1 82 82 ARG HD3 H 1 3.093 0.007 . 2 . . . . A 82 ARG HD3 . 34887 1 1028 . 1 . 1 82 82 ARG C C 13 177.247 0.004 . 1 . . . . A 82 ARG C . 34887 1 1029 . 1 . 1 82 82 ARG CA C 13 54.868 0.025 . 1 . . . . A 82 ARG CA . 34887 1 1030 . 1 . 1 82 82 ARG CB C 13 32.486 0.007 . 1 . . . . A 82 ARG CB . 34887 1 1031 . 1 . 1 82 82 ARG CG C 13 27.722 0.028 . 1 . . . . A 82 ARG CG . 34887 1 1032 . 1 . 1 82 82 ARG CD C 13 43.355 0.033 . 1 . . . . A 82 ARG CD . 34887 1 1033 . 1 . 1 82 82 ARG N N 15 121.537 0.026 . 1 . . . . A 82 ARG N . 34887 1 1034 . 1 . 1 83 83 LEU H H 1 9.217 0.005 . 1 . . . . A 83 LEU H . 34887 1 1035 . 1 . 1 83 83 LEU HA H 1 3.959 0.003 . 1 . . . . A 83 LEU HA . 34887 1 1036 . 1 . 1 83 83 LEU HB2 H 1 1.496 0.003 . 2 . . . . A 83 LEU HB2 . 34887 1 1037 . 1 . 1 83 83 LEU HB3 H 1 1.584 0.000 . 2 . . . . A 83 LEU HB3 . 34887 1 1038 . 1 . 1 83 83 LEU HG H 1 1.686 0.005 . 1 . . . . A 83 LEU HG . 34887 1 1039 . 1 . 1 83 83 LEU HD11 H 1 0.718 0.004 . 2 . . . . A 83 LEU HD11 . 34887 1 1040 . 1 . 1 83 83 LEU HD12 H 1 0.718 0.004 . 2 . . . . A 83 LEU HD12 . 34887 1 1041 . 1 . 1 83 83 LEU HD13 H 1 0.718 0.004 . 2 . . . . A 83 LEU HD13 . 34887 1 1042 . 1 . 1 83 83 LEU HD21 H 1 0.800 0.003 . 2 . . . . A 83 LEU HD21 . 34887 1 1043 . 1 . 1 83 83 LEU HD22 H 1 0.800 0.003 . 2 . . . . A 83 LEU HD22 . 34887 1 1044 . 1 . 1 83 83 LEU HD23 H 1 0.800 0.003 . 2 . . . . A 83 LEU HD23 . 34887 1 1045 . 1 . 1 83 83 LEU C C 13 177.373 0.017 . 1 . . . . A 83 LEU C . 34887 1 1046 . 1 . 1 83 83 LEU CA C 13 56.940 0.025 . 1 . . . . A 83 LEU CA . 34887 1 1047 . 1 . 1 83 83 LEU CB C 13 41.692 0.008 . 1 . . . . A 83 LEU CB . 34887 1 1048 . 1 . 1 83 83 LEU CG C 13 27.083 0.006 . 1 . . . . A 83 LEU CG . 34887 1 1049 . 1 . 1 83 83 LEU CD1 C 13 23.771 0.000 . 1 . . . . A 83 LEU CD1 . 34887 1 1050 . 1 . 1 83 83 LEU CD2 C 13 24.996 0.000 . 1 . . . . A 83 LEU CD2 . 34887 1 1051 . 1 . 1 83 83 LEU N N 15 121.171 0.026 . 1 . . . . A 83 LEU N . 34887 1 1052 . 1 . 1 84 84 ASN H H 1 7.805 0.005 . 1 . . . . A 84 ASN H . 34887 1 1053 . 1 . 1 84 84 ASN HA H 1 4.467 0.002 . 1 . . . . A 84 ASN HA . 34887 1 1054 . 1 . 1 84 84 ASN HB2 H 1 3.114 0.003 . 2 . . . . A 84 ASN HB2 . 34887 1 1055 . 1 . 1 84 84 ASN HB3 H 1 2.769 0.005 . 2 . . . . A 84 ASN HB3 . 34887 1 1056 . 1 . 1 84 84 ASN HD21 H 1 7.619 0.000 . 2 . . . . A 84 ASN HD21 . 34887 1 1057 . 1 . 1 84 84 ASN HD22 H 1 6.762 0.000 . 2 . . . . A 84 ASN HD22 . 34887 1 1058 . 1 . 1 84 84 ASN C C 13 175.754 0.031 . 1 . . . . A 84 ASN C . 34887 1 1059 . 1 . 1 84 84 ASN CA C 13 52.918 0.065 . 1 . . . . A 84 ASN CA . 34887 1 1060 . 1 . 1 84 84 ASN CB C 13 37.063 0.032 . 1 . . . . A 84 ASN CB . 34887 1 1061 . 1 . 1 84 84 ASN N N 15 115.068 0.022 . 1 . . . . A 84 ASN N . 34887 1 1062 . 1 . 1 84 84 ASN ND2 N 15 110.992 0.002 . 1 . . . . A 84 ASN ND2 . 34887 1 1063 . 1 . 1 85 85 GLY H H 1 8.089 0.005 . 1 . . . . A 85 GLY H . 34887 1 1064 . 1 . 1 85 85 GLY HA2 H 1 3.264 0.005 . 2 . . . . A 85 GLY HA2 . 34887 1 1065 . 1 . 1 85 85 GLY HA3 H 1 3.907 0.007 . 2 . . . . A 85 GLY HA3 . 34887 1 1066 . 1 . 1 85 85 GLY C C 13 173.832 0.022 . 1 . . . . A 85 GLY C . 34887 1 1067 . 1 . 1 85 85 GLY CA C 13 45.395 0.016 . 1 . . . . A 85 GLY CA . 34887 1 1068 . 1 . 1 85 85 GLY N N 15 107.507 0.020 . 1 . . . . A 85 GLY N . 34887 1 1069 . 1 . 1 86 86 THR H H 1 7.558 0.004 . 1 . . . . A 86 THR H . 34887 1 1070 . 1 . 1 86 86 THR HA H 1 4.551 0.000 . 1 . . . . A 86 THR HA . 34887 1 1071 . 1 . 1 86 86 THR HB H 1 4.088 0.019 . 1 . . . . A 86 THR HB . 34887 1 1072 . 1 . 1 86 86 THR HG21 H 1 1.101 0.008 . 1 . . . . A 86 THR HG21 . 34887 1 1073 . 1 . 1 86 86 THR HG22 H 1 1.101 0.008 . 1 . . . . A 86 THR HG22 . 34887 1 1074 . 1 . 1 86 86 THR HG23 H 1 1.101 0.008 . 1 . . . . A 86 THR HG23 . 34887 1 1075 . 1 . 1 86 86 THR C C 13 172.890 0.016 . 1 . . . . A 86 THR C . 34887 1 1076 . 1 . 1 86 86 THR CA C 13 60.892 0.020 . 1 . . . . A 86 THR CA . 34887 1 1077 . 1 . 1 86 86 THR CB C 13 71.434 0.057 . 1 . . . . A 86 THR CB . 34887 1 1078 . 1 . 1 86 86 THR CG2 C 13 21.533 0.085 . 1 . . . . A 86 THR CG2 . 34887 1 1079 . 1 . 1 86 86 THR N N 15 111.871 0.013 . 1 . . . . A 86 THR N . 34887 1 1080 . 1 . 1 87 87 ALA H H 1 8.397 0.005 . 1 . . . . A 87 ALA H . 34887 1 1081 . 1 . 1 87 87 ALA HA H 1 4.938 0.008 . 1 . . . . A 87 ALA HA . 34887 1 1082 . 1 . 1 87 87 ALA HB1 H 1 0.645 0.001 . 1 . . . . A 87 ALA HB1 . 34887 1 1083 . 1 . 1 87 87 ALA HB2 H 1 0.645 0.001 . 1 . . . . A 87 ALA HB2 . 34887 1 1084 . 1 . 1 87 87 ALA HB3 H 1 0.645 0.001 . 1 . . . . A 87 ALA HB3 . 34887 1 1085 . 1 . 1 87 87 ALA C C 13 176.151 0.007 . 1 . . . . A 87 ALA C . 34887 1 1086 . 1 . 1 87 87 ALA CA C 13 50.637 0.037 . 1 . . . . A 87 ALA CA . 34887 1 1087 . 1 . 1 87 87 ALA CB C 13 20.309 0.073 . 1 . . . . A 87 ALA CB . 34887 1 1088 . 1 . 1 87 87 ALA N N 15 125.061 0.014 . 1 . . . . A 87 ALA N . 34887 1 1089 . 1 . 1 88 88 GLN H H 1 8.617 0.005 . 1 . . . . A 88 GLN H . 34887 1 1090 . 1 . 1 88 88 GLN HA H 1 4.437 0.001 . 1 . . . . A 88 GLN HA . 34887 1 1091 . 1 . 1 88 88 GLN HB2 H 1 1.898 0.001 . 2 . . . . A 88 GLN HB2 . 34887 1 1092 . 1 . 1 88 88 GLN HB3 H 1 1.825 0.004 . 2 . . . . A 88 GLN HB3 . 34887 1 1093 . 1 . 1 88 88 GLN HG2 H 1 2.174 0.002 . 2 . . . . A 88 GLN HG2 . 34887 1 1094 . 1 . 1 88 88 GLN HG3 H 1 2.174 0.002 . 2 . . . . A 88 GLN HG3 . 34887 1 1095 . 1 . 1 88 88 GLN HE21 H 1 7.368 0.000 . 2 . . . . A 88 GLN HE21 . 34887 1 1096 . 1 . 1 88 88 GLN HE22 H 1 6.840 0.000 . 2 . . . . A 88 GLN HE22 . 34887 1 1097 . 1 . 1 88 88 GLN C C 13 174.270 0.009 . 1 . . . . A 88 GLN C . 34887 1 1098 . 1 . 1 88 88 GLN CA C 13 54.532 0.053 . 1 . . . . A 88 GLN CA . 34887 1 1099 . 1 . 1 88 88 GLN CB C 13 31.663 0.045 . 1 . . . . A 88 GLN CB . 34887 1 1100 . 1 . 1 88 88 GLN CG C 13 33.695 0.026 . 1 . . . . A 88 GLN CG . 34887 1 1101 . 1 . 1 88 88 GLN N N 15 120.787 0.015 . 1 . . . . A 88 GLN N . 34887 1 1102 . 1 . 1 88 88 GLN NE2 N 15 112.016 0.004 . 1 . . . . A 88 GLN NE2 . 34887 1 1103 . 1 . 1 89 89 ILE H H 1 8.483 0.005 . 1 . . . . A 89 ILE H . 34887 1 1104 . 1 . 1 89 89 ILE HA H 1 4.481 0.000 . 1 . . . . A 89 ILE HA . 34887 1 1105 . 1 . 1 89 89 ILE HB H 1 1.587 0.016 . 1 . . . . A 89 ILE HB . 34887 1 1106 . 1 . 1 89 89 ILE HG12 H 1 1.480 0.004 . 2 . . . . A 89 ILE HG12 . 34887 1 1107 . 1 . 1 89 89 ILE HG13 H 1 0.868 0.005 . 2 . . . . A 89 ILE HG13 . 34887 1 1108 . 1 . 1 89 89 ILE HG21 H 1 0.708 0.002 . 1 . . . . A 89 ILE HG21 . 34887 1 1109 . 1 . 1 89 89 ILE HG22 H 1 0.708 0.002 . 1 . . . . A 89 ILE HG22 . 34887 1 1110 . 1 . 1 89 89 ILE HG23 H 1 0.708 0.002 . 1 . . . . A 89 ILE HG23 . 34887 1 1111 . 1 . 1 89 89 ILE HD11 H 1 0.649 0.004 . 1 . . . . A 89 ILE HD11 . 34887 1 1112 . 1 . 1 89 89 ILE HD12 H 1 0.649 0.004 . 1 . . . . A 89 ILE HD12 . 34887 1 1113 . 1 . 1 89 89 ILE HD13 H 1 0.649 0.004 . 1 . . . . A 89 ILE HD13 . 34887 1 1114 . 1 . 1 89 89 ILE C C 13 175.137 0.043 . 1 . . . . A 89 ILE C . 34887 1 1115 . 1 . 1 89 89 ILE CA C 13 61.038 0.034 . 1 . . . . A 89 ILE CA . 34887 1 1116 . 1 . 1 89 89 ILE CB C 13 39.251 0.093 . 1 . . . . A 89 ILE CB . 34887 1 1117 . 1 . 1 89 89 ILE CG1 C 13 27.858 0.057 . 1 . . . . A 89 ILE CG1 . 34887 1 1118 . 1 . 1 89 89 ILE CG2 C 13 18.225 0.028 . 1 . . . . A 89 ILE CG2 . 34887 1 1119 . 1 . 1 89 89 ILE CD1 C 13 14.983 0.010 . 1 . . . . A 89 ILE CD1 . 34887 1 1120 . 1 . 1 89 89 ILE N N 15 125.108 0.025 . 1 . . . . A 89 ILE N . 34887 1 1121 . 1 . 1 90 90 GLU H H 1 9.035 0.004 . 1 . . . . A 90 GLU H . 34887 1 1122 . 1 . 1 90 90 GLU HA H 1 4.279 0.005 . 1 . . . . A 90 GLU HA . 34887 1 1123 . 1 . 1 90 90 GLU HB2 H 1 2.041 0.005 . 2 . . . . A 90 GLU HB2 . 34887 1 1124 . 1 . 1 90 90 GLU HB3 H 1 1.842 0.005 . 2 . . . . A 90 GLU HB3 . 34887 1 1125 . 1 . 1 90 90 GLU HG2 H 1 2.099 0.007 . 2 . . . . A 90 GLU HG2 . 34887 1 1126 . 1 . 1 90 90 GLU HG3 H 1 2.099 0.007 . 2 . . . . A 90 GLU HG3 . 34887 1 1127 . 1 . 1 90 90 GLU C C 13 180.671 0.000 . 1 . . . . A 90 GLU C . 34887 1 1128 . 1 . 1 90 90 GLU CA C 13 58.106 0.030 . 1 . . . . A 90 GLU CA . 34887 1 1129 . 1 . 1 90 90 GLU CB C 13 32.555 0.047 . 1 . . . . A 90 GLU CB . 34887 1 1130 . 1 . 1 90 90 GLU CG C 13 36.843 0.086 . 1 . . . . A 90 GLU CG . 34887 1 1131 . 1 . 1 90 90 GLU N N 15 133.431 0.037 . 1 . . . . A 90 GLU N . 34887 1 stop_ save_