data_34648 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34648 _Entry.Title ; NMR solution structure of the C6 domain of von Willebrand Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-12 _Entry.Accession_date 2021-07-12 _Entry.Last_release_date 2021-08-03 _Entry.Original_release_date 2021-08-03 _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 J. Hennig J. . . . 34648 2 P.-C. Chen P. . . . 34648 3 B. Simon B. . . . 34648 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BLOOD CLOTTING' . 34648 'von Willebrand Factor Haemostasis Thrombosis Blood Coagulation Extracellular protein' . 34648 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34648 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 34648 '15N chemical shifts' 72 34648 '1H chemical shifts' 480 34648 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-03-17 2021-07-12 update BMRB 'update entry citation' 34648 1 . . 2022-07-21 2021-07-12 original author 'original release' 34648 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7P4N 'BMRB Entry Tracking System' 34648 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34648 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36410652 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and dynamics of the von Willebrand Factor C6 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 214 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _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 107923 _Citation.Page_last 107923 _Citation.Year 2022 _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 Po-Chia Chen P. C. . . 34648 1 2 Fabian Kutzki F. . . . 34648 1 3 Angelika Mojzisch A. . . . 34648 1 4 Bernd Simon B. . . . 34648 1 5 Emma-Ruoqi Xu E. R. . . 34648 1 6 Camilo Aponte-Santamaria C. . . . 34648 1 7 Kai Horny K. . . . 34648 1 8 Cy Jeffries C. . . . 34648 1 9 Reinhard Schneppenheim R. . . . 34648 1 10 Matthias Wilmanns M. . . . 34648 1 11 Maria Brehm M. A. . . 34648 1 12 Frauke Grater F. . . . 34648 1 13 Janosch Hennig J. . . . 34648 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34648 _Assembly.ID 1 _Assembly.Name 'von Willebrand factor' _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 . . . . . . 34648 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . . . 34648 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 34648 1 3 disulfide single . 1 . 1 CYS 51 51 SG . 1 . 1 CYS 74 74 SG . . . . . . . . . . . . 34648 1 4 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . . . 34648 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34648 _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 ; GSMATACTIQLRGGQIMTLK RDETLQDGCDTHFCKVNERG EYFWEKRVTGCPPFDEHKCL AEGGKIMKIPGTCCDTCE ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation G2705R _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8703.000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID vWF common 34648 1 stop_ 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 . GLY . 34648 1 2 . SER . 34648 1 3 . MET . 34648 1 4 . ALA . 34648 1 5 . THR . 34648 1 6 . ALA . 34648 1 7 . CYS . 34648 1 8 . THR . 34648 1 9 . ILE . 34648 1 10 . GLN . 34648 1 11 . LEU . 34648 1 12 . ARG . 34648 1 13 . GLY . 34648 1 14 . GLY . 34648 1 15 . GLN . 34648 1 16 . ILE . 34648 1 17 . MET . 34648 1 18 . THR . 34648 1 19 . LEU . 34648 1 20 . LYS . 34648 1 21 . ARG . 34648 1 22 . ASP . 34648 1 23 . GLU . 34648 1 24 . THR . 34648 1 25 . LEU . 34648 1 26 . GLN . 34648 1 27 . ASP . 34648 1 28 . GLY . 34648 1 29 . CYS . 34648 1 30 . ASP . 34648 1 31 . THR . 34648 1 32 . HIS . 34648 1 33 . PHE . 34648 1 34 . CYS . 34648 1 35 . LYS . 34648 1 36 . VAL . 34648 1 37 . ASN . 34648 1 38 . GLU . 34648 1 39 . ARG . 34648 1 40 . GLY . 34648 1 41 . GLU . 34648 1 42 . TYR . 34648 1 43 . PHE . 34648 1 44 . TRP . 34648 1 45 . GLU . 34648 1 46 . LYS . 34648 1 47 . ARG . 34648 1 48 . VAL . 34648 1 49 . THR . 34648 1 50 . GLY . 34648 1 51 . CYS . 34648 1 52 . PRO . 34648 1 53 . PRO . 34648 1 54 . PHE . 34648 1 55 . ASP . 34648 1 56 . GLU . 34648 1 57 . HIS . 34648 1 58 . LYS . 34648 1 59 . CYS . 34648 1 60 . LEU . 34648 1 61 . ALA . 34648 1 62 . GLU . 34648 1 63 . GLY . 34648 1 64 . GLY . 34648 1 65 . LYS . 34648 1 66 . ILE . 34648 1 67 . MET . 34648 1 68 . LYS . 34648 1 69 . ILE . 34648 1 70 . PRO . 34648 1 71 . GLY . 34648 1 72 . THR . 34648 1 73 . CYS . 34648 1 74 . CYS . 34648 1 75 . ASP . 34648 1 76 . THR . 34648 1 77 . CYS . 34648 1 78 . GLU . 34648 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34648 1 . SER 2 2 34648 1 . MET 3 3 34648 1 . ALA 4 4 34648 1 . THR 5 5 34648 1 . ALA 6 6 34648 1 . CYS 7 7 34648 1 . THR 8 8 34648 1 . ILE 9 9 34648 1 . GLN 10 10 34648 1 . LEU 11 11 34648 1 . ARG 12 12 34648 1 . GLY 13 13 34648 1 . GLY 14 14 34648 1 . GLN 15 15 34648 1 . ILE 16 16 34648 1 . MET 17 17 34648 1 . THR 18 18 34648 1 . LEU 19 19 34648 1 . LYS 20 20 34648 1 . ARG 21 21 34648 1 . ASP 22 22 34648 1 . GLU 23 23 34648 1 . THR 24 24 34648 1 . LEU 25 25 34648 1 . GLN 26 26 34648 1 . ASP 27 27 34648 1 . GLY 28 28 34648 1 . CYS 29 29 34648 1 . ASP 30 30 34648 1 . THR 31 31 34648 1 . HIS 32 32 34648 1 . PHE 33 33 34648 1 . CYS 34 34 34648 1 . LYS 35 35 34648 1 . VAL 36 36 34648 1 . ASN 37 37 34648 1 . GLU 38 38 34648 1 . ARG 39 39 34648 1 . GLY 40 40 34648 1 . GLU 41 41 34648 1 . TYR 42 42 34648 1 . PHE 43 43 34648 1 . TRP 44 44 34648 1 . GLU 45 45 34648 1 . LYS 46 46 34648 1 . ARG 47 47 34648 1 . VAL 48 48 34648 1 . THR 49 49 34648 1 . GLY 50 50 34648 1 . CYS 51 51 34648 1 . PRO 52 52 34648 1 . PRO 53 53 34648 1 . PHE 54 54 34648 1 . ASP 55 55 34648 1 . GLU 56 56 34648 1 . HIS 57 57 34648 1 . LYS 58 58 34648 1 . CYS 59 59 34648 1 . LEU 60 60 34648 1 . ALA 61 61 34648 1 . GLU 62 62 34648 1 . GLY 63 63 34648 1 . GLY 64 64 34648 1 . LYS 65 65 34648 1 . ILE 66 66 34648 1 . MET 67 67 34648 1 . LYS 68 68 34648 1 . ILE 69 69 34648 1 . PRO 70 70 34648 1 . GLY 71 71 34648 1 . THR 72 72 34648 1 . CYS 73 73 34648 1 . CYS 74 74 34648 1 . ASP 75 75 34648 1 . THR 76 76 34648 1 . CYS 77 77 34648 1 . GLU 78 78 34648 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 34648 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'VWF, F8VWF' . 34648 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 34648 _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 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 34648 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34648 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-13C; U-15N] von Willebrand Factor C6 domain, 20 mM None sodium phosphate, 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 'von Willebrand Factor C6 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 34648 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34648 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 34648 _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 34648 1 pH 6.5 0.05 pH 34648 1 pressure 1.013 0.01 bar 34648 1 temperature 298 . K 34648 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34648 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34648 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34648 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34648 _Software.ID 2 _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' . . 34648 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34648 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34648 _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' . . 34648 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34648 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34648 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34648 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34648 4 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 34648 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34648 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34648 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 34648 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34648 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 34648 _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 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 34648 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 34648 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34648 1 2 '3D HNCACB' . . . 34648 1 3 '3D HNCA' . . . 34648 1 4 '3D CBCA(CO)NH' . . . 34648 1 5 '3D HNCO' . . . 34648 1 6 '2D 1H-13C HSQC' . . . 34648 1 7 '3D HBHA(CO)NH' . . . 34648 1 8 '3D HCCH-TOCSY' . . . 34648 1 9 '3D H(CCO)NH' . . . 34648 1 10 '3D C(CO)NH' . . . 34648 1 11 '3D 1H-13C NOESY' . . . 34648 1 12 '3D 1H-15N NOESY' . . . 34648 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 1 1 GLY HA2 H 1 3.848 0.020 . 1 . . . . A 1 GLY HA2 . 34648 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.848 0.020 . 1 . . . . A 1 GLY HA3 . 34648 1 3 . 1 . 1 1 1 GLY C C 13 170.129 0.3 . 1 . . . . A 1 GLY C . 34648 1 4 . 1 . 1 1 1 GLY CA C 13 42.702 0.3 . 1 . . . . A 1 GLY CA . 34648 1 5 . 1 . 1 2 2 SER H H 1 8.691 0.020 . 1 . . . . A 2 SER H . 34648 1 6 . 1 . 1 2 2 SER HA H 1 4.482 0.020 . 1 . . . . A 2 SER HA . 34648 1 7 . 1 . 1 2 2 SER HB2 H 1 3.828 0.020 . 1 . . . . A 2 SER HB2 . 34648 1 8 . 1 . 1 2 2 SER HB3 H 1 3.828 0.020 . 1 . . . . A 2 SER HB3 . 34648 1 9 . 1 . 1 2 2 SER C C 13 174.432 0.3 . 1 . . . . A 2 SER C . 34648 1 10 . 1 . 1 2 2 SER CA C 13 57.733 0.3 . 1 . . . . A 2 SER CA . 34648 1 11 . 1 . 1 2 2 SER CB C 13 63.443 0.3 . 1 . . . . A 2 SER CB . 34648 1 12 . 1 . 1 2 2 SER N N 15 115.696 0.3 . 1 . . . . A 2 SER N . 34648 1 13 . 1 . 1 3 3 MET H H 1 8.578 0.020 . 1 . . . . A 3 MET H . 34648 1 14 . 1 . 1 3 3 MET HA H 1 4.510 0.020 . 1 . . . . A 3 MET HA . 34648 1 15 . 1 . 1 3 3 MET HB2 H 1 1.985 0.020 . 2 . . . . A 3 MET HB2 . 34648 1 16 . 1 . 1 3 3 MET HB3 H 1 2.103 0.020 . 2 . . . . A 3 MET HB3 . 34648 1 17 . 1 . 1 3 3 MET HG2 H 1 2.518 0.020 . 2 . . . . A 3 MET HG2 . 34648 1 18 . 1 . 1 3 3 MET HG3 H 1 2.598 0.020 . 2 . . . . A 3 MET HG3 . 34648 1 19 . 1 . 1 3 3 MET C C 13 175.705 0.3 . 1 . . . . A 3 MET C . 34648 1 20 . 1 . 1 3 3 MET CA C 13 54.832 0.3 . 1 . . . . A 3 MET CA . 34648 1 21 . 1 . 1 3 3 MET CB C 13 32.545 0.3 . 1 . . . . A 3 MET CB . 34648 1 22 . 1 . 1 3 3 MET CG C 13 31.533 0.3 . 1 . . . . A 3 MET CG . 34648 1 23 . 1 . 1 3 3 MET N N 15 122.617 0.3 . 1 . . . . A 3 MET N . 34648 1 24 . 1 . 1 4 4 ALA H H 1 8.402 0.020 . 1 . . . . A 4 ALA H . 34648 1 25 . 1 . 1 4 4 ALA HA H 1 4.305 0.020 . 1 . . . . A 4 ALA HA . 34648 1 26 . 1 . 1 4 4 ALA HB1 H 1 1.392 0.020 . 1 . . . . A 4 ALA HB1 . 34648 1 27 . 1 . 1 4 4 ALA HB2 H 1 1.392 0.020 . 1 . . . . A 4 ALA HB2 . 34648 1 28 . 1 . 1 4 4 ALA HB3 H 1 1.392 0.020 . 1 . . . . A 4 ALA HB3 . 34648 1 29 . 1 . 1 4 4 ALA C C 13 177.741 0.3 . 1 . . . . A 4 ALA C . 34648 1 30 . 1 . 1 4 4 ALA CA C 13 52.095 0.3 . 1 . . . . A 4 ALA CA . 34648 1 31 . 1 . 1 4 4 ALA CB C 13 19.026 0.3 . 1 . . . . A 4 ALA CB . 34648 1 32 . 1 . 1 4 4 ALA N N 15 125.299 0.3 . 1 . . . . A 4 ALA N . 34648 1 33 . 1 . 1 5 5 THR H H 1 8.170 0.020 . 1 . . . . A 5 THR H . 34648 1 34 . 1 . 1 5 5 THR HA H 1 4.205 0.020 . 1 . . . . A 5 THR HA . 34648 1 35 . 1 . 1 5 5 THR HB H 1 4.096 0.020 . 1 . . . . A 5 THR HB . 34648 1 36 . 1 . 1 5 5 THR HG21 H 1 1.195 0.020 . 1 . . . . A 5 THR HG21 . 34648 1 37 . 1 . 1 5 5 THR HG22 H 1 1.195 0.020 . 1 . . . . A 5 THR HG22 . 34648 1 38 . 1 . 1 5 5 THR HG23 H 1 1.195 0.020 . 1 . . . . A 5 THR HG23 . 34648 1 39 . 1 . 1 5 5 THR C C 13 172.628 0.3 . 1 . . . . A 5 THR C . 34648 1 40 . 1 . 1 5 5 THR CA C 13 62.582 0.3 . 1 . . . . A 5 THR CA . 34648 1 41 . 1 . 1 5 5 THR CB C 13 69.495 0.3 . 1 . . . . A 5 THR CB . 34648 1 42 . 1 . 1 5 5 THR CG2 C 13 21.316 0.3 . 1 . . . . A 5 THR CG2 . 34648 1 43 . 1 . 1 5 5 THR N N 15 111.286 0.3 . 1 . . . . A 5 THR N . 34648 1 44 . 1 . 1 6 6 ALA H H 1 7.385 0.020 . 1 . . . . A 6 ALA H . 34648 1 45 . 1 . 1 6 6 ALA HA H 1 4.119 0.020 . 1 . . . . A 6 ALA HA . 34648 1 46 . 1 . 1 6 6 ALA HB1 H 1 1.106 0.020 . 1 . . . . A 6 ALA HB1 . 34648 1 47 . 1 . 1 6 6 ALA HB2 H 1 1.106 0.020 . 1 . . . . A 6 ALA HB2 . 34648 1 48 . 1 . 1 6 6 ALA HB3 H 1 1.106 0.020 . 1 . . . . A 6 ALA HB3 . 34648 1 49 . 1 . 1 6 6 ALA C C 13 176.144 0.3 . 1 . . . . A 6 ALA C . 34648 1 50 . 1 . 1 6 6 ALA CA C 13 51.166 0.3 . 1 . . . . A 6 ALA CA . 34648 1 51 . 1 . 1 6 6 ALA CB C 13 21.104 0.3 . 1 . . . . A 6 ALA CB . 34648 1 52 . 1 . 1 6 6 ALA N N 15 122.648 0.3 . 1 . . . . A 6 ALA N . 34648 1 53 . 1 . 1 7 7 CYS H H 1 8.843 0.020 . 1 . . . . A 7 CYS H . 34648 1 54 . 1 . 1 7 7 CYS HA H 1 4.670 0.020 . 1 . . . . A 7 CYS HA . 34648 1 55 . 1 . 1 7 7 CYS HB2 H 1 2.595 0.020 . 2 . . . . A 7 CYS HB2 . 34648 1 56 . 1 . 1 7 7 CYS HB3 H 1 2.729 0.020 . 2 . . . . A 7 CYS HB3 . 34648 1 57 . 1 . 1 7 7 CYS C C 13 173.808 0.3 . 1 . . . . A 7 CYS C . 34648 1 58 . 1 . 1 7 7 CYS CA C 13 57.173 0.3 . 1 . . . . A 7 CYS CA . 34648 1 59 . 1 . 1 7 7 CYS CB C 13 41.048 0.3 . 1 . . . . A 7 CYS CB . 34648 1 60 . 1 . 1 7 7 CYS N N 15 115.805 0.3 . 1 . . . . A 7 CYS N . 34648 1 61 . 1 . 1 8 8 THR H H 1 8.229 0.020 . 1 . . . . A 8 THR H . 34648 1 62 . 1 . 1 8 8 THR HA H 1 4.445 0.020 . 1 . . . . A 8 THR HA . 34648 1 63 . 1 . 1 8 8 THR HB H 1 3.749 0.020 . 1 . . . . A 8 THR HB . 34648 1 64 . 1 . 1 8 8 THR HG21 H 1 0.901 0.020 . 1 . . . . A 8 THR HG21 . 34648 1 65 . 1 . 1 8 8 THR HG22 H 1 0.901 0.020 . 1 . . . . A 8 THR HG22 . 34648 1 66 . 1 . 1 8 8 THR HG23 H 1 0.901 0.020 . 1 . . . . A 8 THR HG23 . 34648 1 67 . 1 . 1 8 8 THR C C 13 173.206 0.3 . 1 . . . . A 8 THR C . 34648 1 68 . 1 . 1 8 8 THR CA C 13 62.191 0.3 . 1 . . . . A 8 THR CA . 34648 1 69 . 1 . 1 8 8 THR CB C 13 68.574 0.3 . 1 . . . . A 8 THR CB . 34648 1 70 . 1 . 1 8 8 THR CG2 C 13 21.171 0.3 . 1 . . . . A 8 THR CG2 . 34648 1 71 . 1 . 1 8 8 THR N N 15 120.359 0.3 . 1 . . . . A 8 THR N . 34648 1 72 . 1 . 1 9 9 ILE H H 1 8.618 0.020 . 1 . . . . A 9 ILE H . 34648 1 73 . 1 . 1 9 9 ILE HA H 1 3.008 0.020 . 1 . . . . A 9 ILE HA . 34648 1 74 . 1 . 1 9 9 ILE HB H 1 0.492 0.020 . 1 . . . . A 9 ILE HB . 34648 1 75 . 1 . 1 9 9 ILE HG12 H 1 0.268 0.020 . 2 . . . . A 9 ILE HG12 . 34648 1 76 . 1 . 1 9 9 ILE HG13 H 1 0.501 0.020 . 2 . . . . A 9 ILE HG13 . 34648 1 77 . 1 . 1 9 9 ILE HG21 H 1 -0.209 0.020 . 1 . . . . A 9 ILE HG21 . 34648 1 78 . 1 . 1 9 9 ILE HG22 H 1 -0.209 0.020 . 1 . . . . A 9 ILE HG22 . 34648 1 79 . 1 . 1 9 9 ILE HG23 H 1 -0.209 0.020 . 1 . . . . A 9 ILE HG23 . 34648 1 80 . 1 . 1 9 9 ILE HD11 H 1 0.003 0.020 . 1 . . . . A 9 ILE HD11 . 34648 1 81 . 1 . 1 9 9 ILE HD12 H 1 0.003 0.020 . 1 . . . . A 9 ILE HD12 . 34648 1 82 . 1 . 1 9 9 ILE HD13 H 1 0.003 0.020 . 1 . . . . A 9 ILE HD13 . 34648 1 83 . 1 . 1 9 9 ILE CA C 13 57.658 0.3 . 1 . . . . A 9 ILE CA . 34648 1 84 . 1 . 1 9 9 ILE CB C 13 40.030 0.3 . 1 . . . . A 9 ILE CB . 34648 1 85 . 1 . 1 9 9 ILE CG1 C 13 26.397 0.3 . 1 . . . . A 9 ILE CG1 . 34648 1 86 . 1 . 1 9 9 ILE CG2 C 13 16.790 0.3 . 1 . . . . A 9 ILE CG2 . 34648 1 87 . 1 . 1 9 9 ILE CD1 C 13 13.317 0.3 . 1 . . . . A 9 ILE CD1 . 34648 1 88 . 1 . 1 9 9 ILE N N 15 122.419 0.3 . 1 . . . . A 9 ILE N . 34648 1 89 . 1 . 1 10 10 GLN HA H 1 4.843 0.020 . 1 . . . . A 10 GLN HA . 34648 1 90 . 1 . 1 10 10 GLN HB2 H 1 1.600 0.020 . 2 . . . . A 10 GLN HB2 . 34648 1 91 . 1 . 1 10 10 GLN HB3 H 1 1.957 0.020 . 2 . . . . A 10 GLN HB3 . 34648 1 92 . 1 . 1 10 10 GLN HG2 H 1 2.271 0.020 . 1 . . . . A 10 GLN HG2 . 34648 1 93 . 1 . 1 10 10 GLN HG3 H 1 2.271 0.020 . 1 . . . . A 10 GLN HG3 . 34648 1 94 . 1 . 1 10 10 GLN HE21 H 1 7.450 0.020 . 1 . . . . A 10 GLN HE21 . 34648 1 95 . 1 . 1 10 10 GLN HE22 H 1 6.778 0.020 . 1 . . . . A 10 GLN HE22 . 34648 1 96 . 1 . 1 10 10 GLN C C 13 175.173 0.3 . 1 . . . . A 10 GLN C . 34648 1 97 . 1 . 1 10 10 GLN CA C 13 53.506 0.3 . 1 . . . . A 10 GLN CA . 34648 1 98 . 1 . 1 10 10 GLN CB C 13 30.634 0.3 . 1 . . . . A 10 GLN CB . 34648 1 99 . 1 . 1 10 10 GLN CG C 13 33.293 0.3 . 1 . . . . A 10 GLN CG . 34648 1 100 . 1 . 1 10 10 GLN NE2 N 15 111.463 0.3 . 1 . . . . A 10 GLN NE2 . 34648 1 101 . 1 . 1 11 11 LEU H H 1 8.752 0.020 . 1 . . . . A 11 LEU H . 34648 1 102 . 1 . 1 11 11 LEU HA H 1 4.327 0.020 . 1 . . . . A 11 LEU HA . 34648 1 103 . 1 . 1 11 11 LEU HB2 H 1 1.726 0.020 . 1 . . . . A 11 LEU HB2 . 34648 1 104 . 1 . 1 11 11 LEU HB3 H 1 1.726 0.020 . 1 . . . . A 11 LEU HB3 . 34648 1 105 . 1 . 1 11 11 LEU HG H 1 1.327 0.020 . 1 . . . . A 11 LEU HG . 34648 1 106 . 1 . 1 11 11 LEU HD11 H 1 0.669 0.020 . 1 . . . . A 11 LEU HD11 . 34648 1 107 . 1 . 1 11 11 LEU HD12 H 1 0.669 0.020 . 1 . . . . A 11 LEU HD12 . 34648 1 108 . 1 . 1 11 11 LEU HD13 H 1 0.669 0.020 . 1 . . . . A 11 LEU HD13 . 34648 1 109 . 1 . 1 11 11 LEU HD21 H 1 0.403 0.020 . 1 . . . . A 11 LEU HD21 . 34648 1 110 . 1 . 1 11 11 LEU HD22 H 1 0.403 0.020 . 1 . . . . A 11 LEU HD22 . 34648 1 111 . 1 . 1 11 11 LEU HD23 H 1 0.403 0.020 . 1 . . . . A 11 LEU HD23 . 34648 1 112 . 1 . 1 11 11 LEU C C 13 178.805 0.3 . 1 . . . . A 11 LEU C . 34648 1 113 . 1 . 1 11 11 LEU CA C 13 53.719 0.3 . 1 . . . . A 11 LEU CA . 34648 1 114 . 1 . 1 11 11 LEU CB C 13 41.262 0.3 . 1 . . . . A 11 LEU CB . 34648 1 115 . 1 . 1 11 11 LEU CG C 13 27.085 0.3 . 1 . . . . A 11 LEU CG . 34648 1 116 . 1 . 1 11 11 LEU CD1 C 13 24.577 0.3 . 1 . . . . A 11 LEU CD1 . 34648 1 117 . 1 . 1 11 11 LEU CD2 C 13 22.208 0.3 . 1 . . . . A 11 LEU CD2 . 34648 1 118 . 1 . 1 11 11 LEU N N 15 125.228 0.3 . 1 . . . . A 11 LEU N . 34648 1 119 . 1 . 1 12 12 ARG H H 1 9.437 0.020 . 1 . . . . A 12 ARG H . 34648 1 120 . 1 . 1 12 12 ARG HA H 1 4.012 0.020 . 1 . . . . A 12 ARG HA . 34648 1 121 . 1 . 1 12 12 ARG HB2 H 1 1.826 0.020 . 2 . . . . A 12 ARG HB2 . 34648 1 122 . 1 . 1 12 12 ARG HB3 H 1 2.073 0.020 . 2 . . . . A 12 ARG HB3 . 34648 1 123 . 1 . 1 12 12 ARG HG2 H 1 1.627 0.020 . 2 . . . . A 12 ARG HG2 . 34648 1 124 . 1 . 1 12 12 ARG HG3 H 1 1.642 0.020 . 2 . . . . A 12 ARG HG3 . 34648 1 125 . 1 . 1 12 12 ARG HD2 H 1 3.152 0.020 . 2 . . . . A 12 ARG HD2 . 34648 1 126 . 1 . 1 12 12 ARG HD3 H 1 3.289 0.020 . 2 . . . . A 12 ARG HD3 . 34648 1 127 . 1 . 1 12 12 ARG CA C 13 59.162 0.3 . 1 . . . . A 12 ARG CA . 34648 1 128 . 1 . 1 12 12 ARG CB C 13 29.750 0.3 . 1 . . . . A 12 ARG CB . 34648 1 129 . 1 . 1 12 12 ARG CG C 13 26.874 0.3 . 1 . . . . A 12 ARG CG . 34648 1 130 . 1 . 1 12 12 ARG CD C 13 42.807 0.3 . 1 . . . . A 12 ARG CD . 34648 1 131 . 1 . 1 12 12 ARG N N 15 123.981 0.3 . 1 . . . . A 12 ARG N . 34648 1 132 . 1 . 1 13 13 GLY H H 1 8.813 0.020 . 1 . . . . A 13 GLY H . 34648 1 133 . 1 . 1 13 13 GLY HA2 H 1 4.000 0.020 . 1 . . . . A 13 GLY HA2 . 34648 1 134 . 1 . 1 13 13 GLY HA3 H 1 4.000 0.020 . 1 . . . . A 13 GLY HA3 . 34648 1 135 . 1 . 1 13 13 GLY C C 13 175.127 0.3 . 1 . . . . A 13 GLY C . 34648 1 136 . 1 . 1 13 13 GLY CA C 13 45.256 0.3 . 1 . . . . A 13 GLY CA . 34648 1 137 . 1 . 1 13 13 GLY N N 15 106.438 0.3 . 1 . . . . A 13 GLY N . 34648 1 138 . 1 . 1 14 14 GLY H H 1 8.073 0.020 . 1 . . . . A 14 GLY H . 34648 1 139 . 1 . 1 14 14 GLY HA2 H 1 4.338 0.020 . 2 . . . . A 14 GLY HA2 . 34648 1 140 . 1 . 1 14 14 GLY HA3 H 1 3.486 0.020 . 2 . . . . A 14 GLY HA3 . 34648 1 141 . 1 . 1 14 14 GLY C C 13 174.479 0.3 . 1 . . . . A 14 GLY C . 34648 1 142 . 1 . 1 14 14 GLY CA C 13 44.087 0.3 . 1 . . . . A 14 GLY CA . 34648 1 143 . 1 . 1 14 14 GLY N N 15 107.345 0.3 . 1 . . . . A 14 GLY N . 34648 1 144 . 1 . 1 15 15 GLN H H 1 8.236 0.020 . 1 . . . . A 15 GLN H . 34648 1 145 . 1 . 1 15 15 GLN HA H 1 4.008 0.020 . 1 . . . . A 15 GLN HA . 34648 1 146 . 1 . 1 15 15 GLN HB2 H 1 1.777 0.020 . 2 . . . . A 15 GLN HB2 . 34648 1 147 . 1 . 1 15 15 GLN HB3 H 1 1.884 0.020 . 2 . . . . A 15 GLN HB3 . 34648 1 148 . 1 . 1 15 15 GLN HG2 H 1 2.243 0.020 . 2 . . . . A 15 GLN HG2 . 34648 1 149 . 1 . 1 15 15 GLN HG3 H 1 2.350 0.020 . 2 . . . . A 15 GLN HG3 . 34648 1 150 . 1 . 1 15 15 GLN HE21 H 1 7.482 0.020 . 1 . . . . A 15 GLN HE21 . 34648 1 151 . 1 . 1 15 15 GLN HE22 H 1 6.847 0.020 . 1 . . . . A 15 GLN HE22 . 34648 1 152 . 1 . 1 15 15 GLN C C 13 174.641 0.3 . 1 . . . . A 15 GLN C . 34648 1 153 . 1 . 1 15 15 GLN CA C 13 56.935 0.3 . 1 . . . . A 15 GLN CA . 34648 1 154 . 1 . 1 15 15 GLN CB C 13 28.082 0.3 . 1 . . . . A 15 GLN CB . 34648 1 155 . 1 . 1 15 15 GLN CG C 13 33.209 0.3 . 1 . . . . A 15 GLN CG . 34648 1 156 . 1 . 1 15 15 GLN N N 15 121.648 0.3 . 1 . . . . A 15 GLN N . 34648 1 157 . 1 . 1 15 15 GLN NE2 N 15 111.717 0.3 . 1 . . . . A 15 GLN NE2 . 34648 1 158 . 1 . 1 16 16 ILE H H 1 8.304 0.020 . 1 . . . . A 16 ILE H . 34648 1 159 . 1 . 1 16 16 ILE HA H 1 4.726 0.020 . 1 . . . . A 16 ILE HA . 34648 1 160 . 1 . 1 16 16 ILE HB H 1 1.605 0.020 . 1 . . . . A 16 ILE HB . 34648 1 161 . 1 . 1 16 16 ILE HG12 H 1 1.517 0.020 . 2 . . . . A 16 ILE HG12 . 34648 1 162 . 1 . 1 16 16 ILE HG13 H 1 1.009 0.020 . 2 . . . . A 16 ILE HG13 . 34648 1 163 . 1 . 1 16 16 ILE HG21 H 1 0.655 0.020 . 1 . . . . A 16 ILE HG21 . 34648 1 164 . 1 . 1 16 16 ILE HG22 H 1 0.655 0.020 . 1 . . . . A 16 ILE HG22 . 34648 1 165 . 1 . 1 16 16 ILE HG23 H 1 0.655 0.020 . 1 . . . . A 16 ILE HG23 . 34648 1 166 . 1 . 1 16 16 ILE HD11 H 1 0.685 0.020 . 1 . . . . A 16 ILE HD11 . 34648 1 167 . 1 . 1 16 16 ILE HD12 H 1 0.685 0.020 . 1 . . . . A 16 ILE HD12 . 34648 1 168 . 1 . 1 16 16 ILE HD13 H 1 0.685 0.020 . 1 . . . . A 16 ILE HD13 . 34648 1 169 . 1 . 1 16 16 ILE C C 13 176.422 0.3 . 1 . . . . A 16 ILE C . 34648 1 170 . 1 . 1 16 16 ILE CA C 13 59.192 0.3 . 1 . . . . A 16 ILE CA . 34648 1 171 . 1 . 1 16 16 ILE CB C 13 38.194 0.3 . 1 . . . . A 16 ILE CB . 34648 1 172 . 1 . 1 16 16 ILE CG1 C 13 27.032 0.3 . 1 . . . . A 16 ILE CG1 . 34648 1 173 . 1 . 1 16 16 ILE CG2 C 13 16.918 0.3 . 1 . . . . A 16 ILE CG2 . 34648 1 174 . 1 . 1 16 16 ILE CD1 C 13 11.734 0.3 . 1 . . . . A 16 ILE CD1 . 34648 1 175 . 1 . 1 16 16 ILE N N 15 124.190 0.3 . 1 . . . . A 16 ILE N . 34648 1 176 . 1 . 1 17 17 MET H H 1 8.536 0.020 . 1 . . . . A 17 MET H . 34648 1 177 . 1 . 1 17 17 MET HA H 1 4.703 0.020 . 1 . . . . A 17 MET HA . 34648 1 178 . 1 . 1 17 17 MET HB2 H 1 1.532 0.020 . 2 . . . . A 17 MET HB2 . 34648 1 179 . 1 . 1 17 17 MET HB3 H 1 1.791 0.020 . 2 . . . . A 17 MET HB3 . 34648 1 180 . 1 . 1 17 17 MET HG2 H 1 1.989 0.020 . 2 . . . . A 17 MET HG2 . 34648 1 181 . 1 . 1 17 17 MET HG3 H 1 2.101 0.020 . 2 . . . . A 17 MET HG3 . 34648 1 182 . 1 . 1 17 17 MET C C 13 173.576 0.3 . 1 . . . . A 17 MET C . 34648 1 183 . 1 . 1 17 17 MET CA C 13 53.290 0.3 . 1 . . . . A 17 MET CA . 34648 1 184 . 1 . 1 17 17 MET CB C 13 35.543 0.3 . 1 . . . . A 17 MET CB . 34648 1 185 . 1 . 1 17 17 MET CG C 13 31.010 0.3 . 1 . . . . A 17 MET CG . 34648 1 186 . 1 . 1 17 17 MET N N 15 125.026 0.3 . 1 . . . . A 17 MET N . 34648 1 187 . 1 . 1 18 18 THR H H 1 8.182 0.020 . 1 . . . . A 18 THR H . 34648 1 188 . 1 . 1 18 18 THR HA H 1 4.947 0.020 . 1 . . . . A 18 THR HA . 34648 1 189 . 1 . 1 18 18 THR HB H 1 3.759 0.020 . 1 . . . . A 18 THR HB . 34648 1 190 . 1 . 1 18 18 THR HG21 H 1 0.891 0.020 . 1 . . . . A 18 THR HG21 . 34648 1 191 . 1 . 1 18 18 THR HG22 H 1 0.891 0.020 . 1 . . . . A 18 THR HG22 . 34648 1 192 . 1 . 1 18 18 THR HG23 H 1 0.891 0.020 . 1 . . . . A 18 THR HG23 . 34648 1 193 . 1 . 1 18 18 THR C C 13 173.322 0.3 . 1 . . . . A 18 THR C . 34648 1 194 . 1 . 1 18 18 THR CA C 13 60.058 0.3 . 1 . . . . A 18 THR CA . 34648 1 195 . 1 . 1 18 18 THR CB C 13 69.972 0.3 . 1 . . . . A 18 THR CB . 34648 1 196 . 1 . 1 18 18 THR CG2 C 13 21.271 0.3 . 1 . . . . A 18 THR CG2 . 34648 1 197 . 1 . 1 18 18 THR N N 15 114.194 0.3 . 1 . . . . A 18 THR N . 34648 1 198 . 1 . 1 19 19 LEU H H 1 8.663 0.020 . 1 . . . . A 19 LEU H . 34648 1 199 . 1 . 1 19 19 LEU HA H 1 4.518 0.020 . 1 . . . . A 19 LEU HA . 34648 1 200 . 1 . 1 19 19 LEU HB2 H 1 1.132 0.020 . 2 . . . . A 19 LEU HB2 . 34648 1 201 . 1 . 1 19 19 LEU HB3 H 1 1.557 0.020 . 2 . . . . A 19 LEU HB3 . 34648 1 202 . 1 . 1 19 19 LEU HG H 1 1.437 0.020 . 1 . . . . A 19 LEU HG . 34648 1 203 . 1 . 1 19 19 LEU HD11 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD11 . 34648 1 204 . 1 . 1 19 19 LEU HD12 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD12 . 34648 1 205 . 1 . 1 19 19 LEU HD13 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD13 . 34648 1 206 . 1 . 1 19 19 LEU HD21 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD21 . 34648 1 207 . 1 . 1 19 19 LEU HD22 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD22 . 34648 1 208 . 1 . 1 19 19 LEU HD23 H 1 0.663 0.020 . 1 . . . . A 19 LEU HD23 . 34648 1 209 . 1 . 1 19 19 LEU C C 13 174.872 0.3 . 1 . . . . A 19 LEU C . 34648 1 210 . 1 . 1 19 19 LEU CA C 13 52.800 0.3 . 1 . . . . A 19 LEU CA . 34648 1 211 . 1 . 1 19 19 LEU CB C 13 46.546 0.3 . 1 . . . . A 19 LEU CB . 34648 1 212 . 1 . 1 19 19 LEU CG C 13 27.040 0.3 . 1 . . . . A 19 LEU CG . 34648 1 213 . 1 . 1 19 19 LEU CD1 C 13 24.566 0.3 . 1 . . . . A 19 LEU CD1 . 34648 1 214 . 1 . 1 19 19 LEU N N 15 125.759 0.3 . 1 . . . . A 19 LEU N . 34648 1 215 . 1 . 1 20 20 LYS H H 1 8.507 0.020 . 1 . . . . A 20 LYS H . 34648 1 216 . 1 . 1 20 20 LYS HA H 1 4.312 0.020 . 1 . . . . A 20 LYS HA . 34648 1 217 . 1 . 1 20 20 LYS HB2 H 1 1.519 0.020 . 2 . . . . A 20 LYS HB2 . 34648 1 218 . 1 . 1 20 20 LYS HB3 H 1 1.868 0.020 . 2 . . . . A 20 LYS HB3 . 34648 1 219 . 1 . 1 20 20 LYS HG2 H 1 1.380 0.020 . 2 . . . . A 20 LYS HG2 . 34648 1 220 . 1 . 1 20 20 LYS HG3 H 1 1.476 0.020 . 2 . . . . A 20 LYS HG3 . 34648 1 221 . 1 . 1 20 20 LYS HD2 H 1 1.598 0.020 . 1 . . . . A 20 LYS HD2 . 34648 1 222 . 1 . 1 20 20 LYS HD3 H 1 1.598 0.020 . 1 . . . . A 20 LYS HD3 . 34648 1 223 . 1 . 1 20 20 LYS HE2 H 1 2.930 0.020 . 1 . . . . A 20 LYS HE2 . 34648 1 224 . 1 . 1 20 20 LYS HE3 H 1 2.930 0.020 . 1 . . . . A 20 LYS HE3 . 34648 1 225 . 1 . 1 20 20 LYS C C 13 175.867 0.3 . 1 . . . . A 20 LYS C . 34648 1 226 . 1 . 1 20 20 LYS CA C 13 54.969 0.3 . 1 . . . . A 20 LYS CA . 34648 1 227 . 1 . 1 20 20 LYS CB C 13 33.254 0.3 . 1 . . . . A 20 LYS CB . 34648 1 228 . 1 . 1 20 20 LYS CG C 13 25.104 0.3 . 1 . . . . A 20 LYS CG . 34648 1 229 . 1 . 1 20 20 LYS CD C 13 28.660 0.3 . 1 . . . . A 20 LYS CD . 34648 1 230 . 1 . 1 20 20 LYS CE C 13 41.716 0.3 . 1 . . . . A 20 LYS CE . 34648 1 231 . 1 . 1 20 20 LYS N N 15 121.096 0.3 . 1 . . . . A 20 LYS N . 34648 1 232 . 1 . 1 21 21 ARG H H 1 8.227 0.020 . 1 . . . . A 21 ARG H . 34648 1 233 . 1 . 1 21 21 ARG HA H 1 3.450 0.020 . 1 . . . . A 21 ARG HA . 34648 1 234 . 1 . 1 21 21 ARG HB2 H 1 1.486 0.020 . 2 . . . . A 21 ARG HB2 . 34648 1 235 . 1 . 1 21 21 ARG HB3 H 1 1.609 0.020 . 2 . . . . A 21 ARG HB3 . 34648 1 236 . 1 . 1 21 21 ARG HG2 H 1 1.362 0.020 . 1 . . . . A 21 ARG HG2 . 34648 1 237 . 1 . 1 21 21 ARG HG3 H 1 1.362 0.020 . 1 . . . . A 21 ARG HG3 . 34648 1 238 . 1 . 1 21 21 ARG HD2 H 1 2.945 0.020 . 1 . . . . A 21 ARG HD2 . 34648 1 239 . 1 . 1 21 21 ARG HD3 H 1 2.945 0.020 . 1 . . . . A 21 ARG HD3 . 34648 1 240 . 1 . 1 21 21 ARG C C 13 175.867 0.3 . 1 . . . . A 21 ARG C . 34648 1 241 . 1 . 1 21 21 ARG CA C 13 57.715 0.3 . 1 . . . . A 21 ARG CA . 34648 1 242 . 1 . 1 21 21 ARG CB C 13 29.782 0.3 . 1 . . . . A 21 ARG CB . 34648 1 243 . 1 . 1 21 21 ARG CG C 13 25.457 0.3 . 1 . . . . A 21 ARG CG . 34648 1 244 . 1 . 1 21 21 ARG CD C 13 43.303 0.3 . 1 . . . . A 21 ARG CD . 34648 1 245 . 1 . 1 21 21 ARG N N 15 117.683 0.3 . 1 . . . . A 21 ARG N . 34648 1 246 . 1 . 1 22 22 ASP H H 1 8.496 0.020 . 1 . . . . A 22 ASP H . 34648 1 247 . 1 . 1 22 22 ASP HA H 1 4.476 0.020 . 1 . . . . A 22 ASP HA . 34648 1 248 . 1 . 1 22 22 ASP HB2 H 1 2.968 0.020 . 1 . . . . A 22 ASP HB2 . 34648 1 249 . 1 . 1 22 22 ASP HB3 H 1 2.968 0.020 . 1 . . . . A 22 ASP HB3 . 34648 1 250 . 1 . 1 22 22 ASP C C 13 174.849 0.3 . 1 . . . . A 22 ASP C . 34648 1 251 . 1 . 1 22 22 ASP CA C 13 56.460 0.3 . 1 . . . . A 22 ASP CA . 34648 1 252 . 1 . 1 22 22 ASP CB C 13 38.810 0.3 . 1 . . . . A 22 ASP CB . 34648 1 253 . 1 . 1 22 22 ASP N N 15 117.871 0.3 . 1 . . . . A 22 ASP N . 34648 1 254 . 1 . 1 23 23 GLU H H 1 7.965 0.020 . 1 . . . . A 23 GLU H . 34648 1 255 . 1 . 1 23 23 GLU HA H 1 4.526 0.020 . 1 . . . . A 23 GLU HA . 34648 1 256 . 1 . 1 23 23 GLU HB2 H 1 2.042 0.020 . 1 . . . . A 23 GLU HB2 . 34648 1 257 . 1 . 1 23 23 GLU HB3 H 1 2.042 0.020 . 1 . . . . A 23 GLU HB3 . 34648 1 258 . 1 . 1 23 23 GLU HG2 H 1 2.133 0.020 . 2 . . . . A 23 GLU HG2 . 34648 1 259 . 1 . 1 23 23 GLU HG3 H 1 2.259 0.020 . 2 . . . . A 23 GLU HG3 . 34648 1 260 . 1 . 1 23 23 GLU C C 13 175.312 0.3 . 1 . . . . A 23 GLU C . 34648 1 261 . 1 . 1 23 23 GLU CA C 13 55.941 0.3 . 1 . . . . A 23 GLU CA . 34648 1 262 . 1 . 1 23 23 GLU CB C 13 31.171 0.3 . 1 . . . . A 23 GLU CB . 34648 1 263 . 1 . 1 23 23 GLU CG C 13 36.687 0.3 . 1 . . . . A 23 GLU CG . 34648 1 264 . 1 . 1 23 23 GLU N N 15 120.190 0.3 . 1 . . . . A 23 GLU N . 34648 1 265 . 1 . 1 24 24 THR H H 1 8.109 0.020 . 1 . . . . A 24 THR H . 34648 1 266 . 1 . 1 24 24 THR HA H 1 5.275 0.020 . 1 . . . . A 24 THR HA . 34648 1 267 . 1 . 1 24 24 THR HB H 1 3.670 0.020 . 1 . . . . A 24 THR HB . 34648 1 268 . 1 . 1 24 24 THR HG21 H 1 0.848 0.020 . 1 . . . . A 24 THR HG21 . 34648 1 269 . 1 . 1 24 24 THR HG22 H 1 0.848 0.020 . 1 . . . . A 24 THR HG22 . 34648 1 270 . 1 . 1 24 24 THR HG23 H 1 0.848 0.020 . 1 . . . . A 24 THR HG23 . 34648 1 271 . 1 . 1 24 24 THR C C 13 173.623 0.3 . 1 . . . . A 24 THR C . 34648 1 272 . 1 . 1 24 24 THR CA C 13 59.154 0.3 . 1 . . . . A 24 THR CA . 34648 1 273 . 1 . 1 24 24 THR CB C 13 71.533 0.3 . 1 . . . . A 24 THR CB . 34648 1 274 . 1 . 1 24 24 THR CG2 C 13 21.539 0.3 . 1 . . . . A 24 THR CG2 . 34648 1 275 . 1 . 1 24 24 THR N N 15 113.075 0.3 . 1 . . . . A 24 THR N . 34648 1 276 . 1 . 1 25 25 LEU H H 1 8.644 0.020 . 1 . . . . A 25 LEU H . 34648 1 277 . 1 . 1 25 25 LEU HA H 1 4.589 0.020 . 1 . . . . A 25 LEU HA . 34648 1 278 . 1 . 1 25 25 LEU HB2 H 1 1.441 0.020 . 1 . . . . A 25 LEU HB2 . 34648 1 279 . 1 . 1 25 25 LEU HB3 H 1 1.441 0.020 . 1 . . . . A 25 LEU HB3 . 34648 1 280 . 1 . 1 25 25 LEU HG H 1 0.703 0.020 . 1 . . . . A 25 LEU HG . 34648 1 281 . 1 . 1 25 25 LEU HD11 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD11 . 34648 1 282 . 1 . 1 25 25 LEU HD12 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD12 . 34648 1 283 . 1 . 1 25 25 LEU HD13 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD13 . 34648 1 284 . 1 . 1 25 25 LEU HD21 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD21 . 34648 1 285 . 1 . 1 25 25 LEU HD22 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD22 . 34648 1 286 . 1 . 1 25 25 LEU HD23 H 1 0.702 0.020 . 1 . . . . A 25 LEU HD23 . 34648 1 287 . 1 . 1 25 25 LEU C C 13 174.641 0.3 . 1 . . . . A 25 LEU C . 34648 1 288 . 1 . 1 25 25 LEU CA C 13 54.054 0.3 . 1 . . . . A 25 LEU CA . 34648 1 289 . 1 . 1 25 25 LEU CB C 13 46.311 0.3 . 1 . . . . A 25 LEU CB . 34648 1 290 . 1 . 1 25 25 LEU CG C 13 26.097 0.3 . 1 . . . . A 25 LEU CG . 34648 1 291 . 1 . 1 25 25 LEU N N 15 124.286 0.3 . 1 . . . . A 25 LEU N . 34648 1 292 . 1 . 1 26 26 GLN H H 1 8.996 0.020 . 1 . . . . A 26 GLN H . 34648 1 293 . 1 . 1 26 26 GLN HA H 1 4.816 0.020 . 1 . . . . A 26 GLN HA . 34648 1 294 . 1 . 1 26 26 GLN HB2 H 1 1.940 0.020 . 2 . . . . A 26 GLN HB2 . 34648 1 295 . 1 . 1 26 26 GLN HB3 H 1 2.024 0.020 . 2 . . . . A 26 GLN HB3 . 34648 1 296 . 1 . 1 26 26 GLN HG2 H 1 2.282 0.020 . 2 . . . . A 26 GLN HG2 . 34648 1 297 . 1 . 1 26 26 GLN HG3 H 1 2.360 0.020 . 2 . . . . A 26 GLN HG3 . 34648 1 298 . 1 . 1 26 26 GLN HE21 H 1 7.503 0.020 . 1 . . . . A 26 GLN HE21 . 34648 1 299 . 1 . 1 26 26 GLN HE22 H 1 6.621 0.020 . 1 . . . . A 26 GLN HE22 . 34648 1 300 . 1 . 1 26 26 GLN C C 13 174.432 0.3 . 1 . . . . A 26 GLN C . 34648 1 301 . 1 . 1 26 26 GLN CA C 13 54.802 0.3 . 1 . . . . A 26 GLN CA . 34648 1 302 . 1 . 1 26 26 GLN CB C 13 29.211 0.3 . 1 . . . . A 26 GLN CB . 34648 1 303 . 1 . 1 26 26 GLN CG C 13 33.175 0.3 . 1 . . . . A 26 GLN CG . 34648 1 304 . 1 . 1 26 26 GLN N N 15 127.942 0.3 . 1 . . . . A 26 GLN N . 34648 1 305 . 1 . 1 26 26 GLN NE2 N 15 111.816 0.3 . 1 . . . . A 26 GLN NE2 . 34648 1 306 . 1 . 1 27 27 ASP H H 1 9.169 0.020 . 1 . . . . A 27 ASP H . 34648 1 307 . 1 . 1 27 27 ASP HA H 1 4.889 0.020 . 1 . . . . A 27 ASP HA . 34648 1 308 . 1 . 1 27 27 ASP HB2 H 1 2.415 0.020 . 2 . . . . A 27 ASP HB2 . 34648 1 309 . 1 . 1 27 27 ASP HB3 H 1 2.804 0.020 . 2 . . . . A 27 ASP HB3 . 34648 1 310 . 1 . 1 27 27 ASP C C 13 175.474 0.3 . 1 . . . . A 27 ASP C . 34648 1 311 . 1 . 1 27 27 ASP CA C 13 52.112 0.3 . 1 . . . . A 27 ASP CA . 34648 1 312 . 1 . 1 27 27 ASP CB C 13 42.600 0.3 . 1 . . . . A 27 ASP CB . 34648 1 313 . 1 . 1 27 27 ASP N N 15 127.022 0.3 . 1 . . . . A 27 ASP N . 34648 1 314 . 1 . 1 28 28 GLY H H 1 9.094 0.020 . 1 . . . . A 28 GLY H . 34648 1 315 . 1 . 1 28 28 GLY HA2 H 1 3.612 0.020 . 2 . . . . A 28 GLY HA2 . 34648 1 316 . 1 . 1 28 28 GLY HA3 H 1 4.028 0.020 . 2 . . . . A 28 GLY HA3 . 34648 1 317 . 1 . 1 28 28 GLY C C 13 175.890 0.3 . 1 . . . . A 28 GLY C . 34648 1 318 . 1 . 1 28 28 GLY CA C 13 46.536 0.3 . 1 . . . . A 28 GLY CA . 34648 1 319 . 1 . 1 28 28 GLY N N 15 115.321 0.3 . 1 . . . . A 28 GLY N . 34648 1 320 . 1 . 1 29 29 CYS H H 1 9.373 0.020 . 1 . . . . A 29 CYS H . 34648 1 321 . 1 . 1 29 29 CYS HA H 1 4.659 0.020 . 1 . . . . A 29 CYS HA . 34648 1 322 . 1 . 1 29 29 CYS HB2 H 1 2.919 0.020 . 2 . . . . A 29 CYS HB2 . 34648 1 323 . 1 . 1 29 29 CYS HB3 H 1 3.615 0.020 . 2 . . . . A 29 CYS HB3 . 34648 1 324 . 1 . 1 29 29 CYS C C 13 173.646 0.3 . 1 . . . . A 29 CYS C . 34648 1 325 . 1 . 1 29 29 CYS CA C 13 55.339 0.3 . 1 . . . . A 29 CYS CA . 34648 1 326 . 1 . 1 29 29 CYS CB C 13 39.944 0.3 . 1 . . . . A 29 CYS CB . 34648 1 327 . 1 . 1 29 29 CYS N N 15 126.265 0.3 . 1 . . . . A 29 CYS N . 34648 1 328 . 1 . 1 30 30 ASP H H 1 8.187 0.020 . 1 . . . . A 30 ASP H . 34648 1 329 . 1 . 1 30 30 ASP HA H 1 5.133 0.020 . 1 . . . . A 30 ASP HA . 34648 1 330 . 1 . 1 30 30 ASP HB2 H 1 1.975 0.020 . 2 . . . . A 30 ASP HB2 . 34648 1 331 . 1 . 1 30 30 ASP HB3 H 1 3.067 0.020 . 2 . . . . A 30 ASP HB3 . 34648 1 332 . 1 . 1 30 30 ASP C C 13 175.150 0.3 . 1 . . . . A 30 ASP C . 34648 1 333 . 1 . 1 30 30 ASP CA C 13 53.529 0.3 . 1 . . . . A 30 ASP CA . 34648 1 334 . 1 . 1 30 30 ASP CB C 13 42.068 0.3 . 1 . . . . A 30 ASP CB . 34648 1 335 . 1 . 1 30 30 ASP N N 15 121.491 0.3 . 1 . . . . A 30 ASP N . 34648 1 336 . 1 . 1 31 31 THR H H 1 9.010 0.020 . 1 . . . . A 31 THR H . 34648 1 337 . 1 . 1 31 31 THR HA H 1 4.617 0.020 . 1 . . . . A 31 THR HA . 34648 1 338 . 1 . 1 31 31 THR HB H 1 3.735 0.020 . 1 . . . . A 31 THR HB . 34648 1 339 . 1 . 1 31 31 THR HG21 H 1 0.630 0.020 . 1 . . . . A 31 THR HG21 . 34648 1 340 . 1 . 1 31 31 THR HG22 H 1 0.630 0.020 . 1 . . . . A 31 THR HG22 . 34648 1 341 . 1 . 1 31 31 THR HG23 H 1 0.630 0.020 . 1 . . . . A 31 THR HG23 . 34648 1 342 . 1 . 1 31 31 THR C C 13 172.188 0.3 . 1 . . . . A 31 THR C . 34648 1 343 . 1 . 1 31 31 THR CA C 13 61.916 0.3 . 1 . . . . A 31 THR CA . 34648 1 344 . 1 . 1 31 31 THR CB C 13 69.671 0.3 . 1 . . . . A 31 THR CB . 34648 1 345 . 1 . 1 31 31 THR CG2 C 13 22.347 0.3 . 1 . . . . A 31 THR CG2 . 34648 1 346 . 1 . 1 31 31 THR N N 15 118.702 0.3 . 1 . . . . A 31 THR N . 34648 1 347 . 1 . 1 32 32 HIS H H 1 9.103 0.020 . 1 . . . . A 32 HIS H . 34648 1 348 . 1 . 1 32 32 HIS HA H 1 5.227 0.020 . 1 . . . . A 32 HIS HA . 34648 1 349 . 1 . 1 32 32 HIS HB2 H 1 2.861 0.020 . 2 . . . . A 32 HIS HB2 . 34648 1 350 . 1 . 1 32 32 HIS HB3 H 1 2.945 0.020 . 2 . . . . A 32 HIS HB3 . 34648 1 351 . 1 . 1 32 32 HIS HD2 H 1 6.646 0.020 . 1 . . . . A 32 HIS HD2 . 34648 1 352 . 1 . 1 32 32 HIS HE1 H 1 8.034 0.020 . 1 . . . . A 32 HIS HE1 . 34648 1 353 . 1 . 1 32 32 HIS C C 13 174.109 0.3 . 1 . . . . A 32 HIS C . 34648 1 354 . 1 . 1 32 32 HIS CA C 13 54.997 0.3 . 1 . . . . A 32 HIS CA . 34648 1 355 . 1 . 1 32 32 HIS CB C 13 34.143 0.3 . 1 . . . . A 32 HIS CB . 34648 1 356 . 1 . 1 32 32 HIS CD2 C 13 116.404 0.3 . 1 . . . . A 32 HIS CD2 . 34648 1 357 . 1 . 1 32 32 HIS CE1 C 13 137.223 0.3 . 1 . . . . A 32 HIS CE1 . 34648 1 358 . 1 . 1 32 32 HIS N N 15 126.039 0.3 . 1 . . . . A 32 HIS N . 34648 1 359 . 1 . 1 33 33 PHE H H 1 9.603 0.020 . 1 . . . . A 33 PHE H . 34648 1 360 . 1 . 1 33 33 PHE HA H 1 5.071 0.020 . 1 . . . . A 33 PHE HA . 34648 1 361 . 1 . 1 33 33 PHE HB2 H 1 2.917 0.020 . 2 . . . . A 33 PHE HB2 . 34648 1 362 . 1 . 1 33 33 PHE HB3 H 1 3.037 0.020 . 2 . . . . A 33 PHE HB3 . 34648 1 363 . 1 . 1 33 33 PHE HD1 H 1 7.188 0.020 . 1 . . . . A 33 PHE HD1 . 34648 1 364 . 1 . 1 33 33 PHE HE1 H 1 7.097 0.020 . 1 . . . . A 33 PHE HE1 . 34648 1 365 . 1 . 1 33 33 PHE HE2 H 1 7.097 0.020 . 1 . . . . A 33 PHE HE2 . 34648 1 366 . 1 . 1 33 33 PHE HZ H 1 7.184 0.020 . 1 . . . . A 33 PHE HZ . 34648 1 367 . 1 . 1 33 33 PHE C C 13 174.525 0.3 . 1 . . . . A 33 PHE C . 34648 1 368 . 1 . 1 33 33 PHE CA C 13 56.024 0.3 . 1 . . . . A 33 PHE CA . 34648 1 369 . 1 . 1 33 33 PHE CB C 13 42.188 0.3 . 1 . . . . A 33 PHE CB . 34648 1 370 . 1 . 1 33 33 PHE CD1 C 13 132.129 0.3 . 1 . . . . A 33 PHE CD1 . 34648 1 371 . 1 . 1 33 33 PHE CE1 C 13 130.751 0.3 . 1 . . . . A 33 PHE CE1 . 34648 1 372 . 1 . 1 33 33 PHE CZ C 13 129.545 0.3 . 1 . . . . A 33 PHE CZ . 34648 1 373 . 1 . 1 33 33 PHE N N 15 119.264 0.3 . 1 . . . . A 33 PHE N . 34648 1 374 . 1 . 1 34 34 CYS H H 1 8.121 0.020 . 1 . . . . A 34 CYS H . 34648 1 375 . 1 . 1 34 34 CYS HA H 1 5.458 0.020 . 1 . . . . A 34 CYS HA . 34648 1 376 . 1 . 1 34 34 CYS HB2 H 1 2.439 0.020 . 2 . . . . A 34 CYS HB2 . 34648 1 377 . 1 . 1 34 34 CYS HB3 H 1 3.199 0.020 . 2 . . . . A 34 CYS HB3 . 34648 1 378 . 1 . 1 34 34 CYS C C 13 173.345 0.3 . 1 . . . . A 34 CYS C . 34648 1 379 . 1 . 1 34 34 CYS CA C 13 53.261 0.3 . 1 . . . . A 34 CYS CA . 34648 1 380 . 1 . 1 34 34 CYS CB C 13 38.615 0.3 . 1 . . . . A 34 CYS CB . 34648 1 381 . 1 . 1 34 34 CYS N N 15 121.184 0.3 . 1 . . . . A 34 CYS N . 34648 1 382 . 1 . 1 35 35 LYS H H 1 8.814 0.020 . 1 . . . . A 35 LYS H . 34648 1 383 . 1 . 1 35 35 LYS HA H 1 4.664 0.020 . 1 . . . . A 35 LYS HA . 34648 1 384 . 1 . 1 35 35 LYS HB2 H 1 0.928 0.020 . 2 . . . . A 35 LYS HB2 . 34648 1 385 . 1 . 1 35 35 LYS HB3 H 1 1.527 0.020 . 2 . . . . A 35 LYS HB3 . 34648 1 386 . 1 . 1 35 35 LYS HG2 H 1 1.118 0.020 . 2 . . . . A 35 LYS HG2 . 34648 1 387 . 1 . 1 35 35 LYS HG3 H 1 1.219 0.020 . 2 . . . . A 35 LYS HG3 . 34648 1 388 . 1 . 1 35 35 LYS C C 13 173.415 0.3 . 1 . . . . A 35 LYS C . 34648 1 389 . 1 . 1 35 35 LYS CA C 13 53.677 0.3 . 1 . . . . A 35 LYS CA . 34648 1 390 . 1 . 1 35 35 LYS CB C 13 35.956 0.3 . 1 . . . . A 35 LYS CB . 34648 1 391 . 1 . 1 35 35 LYS CG C 13 24.373 0.3 . 1 . . . . A 35 LYS CG . 34648 1 392 . 1 . 1 35 35 LYS CD C 13 28.601 0.3 . 1 . . . . A 35 LYS CD . 34648 1 393 . 1 . 1 35 35 LYS N N 15 129.524 0.3 . 1 . . . . A 35 LYS N . 34648 1 394 . 1 . 1 36 36 VAL H H 1 8.096 0.020 . 1 . . . . A 36 VAL H . 34648 1 395 . 1 . 1 36 36 VAL HA H 1 4.663 0.020 . 1 . . . . A 36 VAL HA . 34648 1 396 . 1 . 1 36 36 VAL HB H 1 1.383 0.020 . 1 . . . . A 36 VAL HB . 34648 1 397 . 1 . 1 36 36 VAL HG11 H 1 0.552 0.020 . 1 . . . . A 36 VAL HG11 . 34648 1 398 . 1 . 1 36 36 VAL HG12 H 1 0.552 0.020 . 1 . . . . A 36 VAL HG12 . 34648 1 399 . 1 . 1 36 36 VAL HG13 H 1 0.552 0.020 . 1 . . . . A 36 VAL HG13 . 34648 1 400 . 1 . 1 36 36 VAL HG21 H 1 0.202 0.020 . 1 . . . . A 36 VAL HG21 . 34648 1 401 . 1 . 1 36 36 VAL HG22 H 1 0.202 0.020 . 1 . . . . A 36 VAL HG22 . 34648 1 402 . 1 . 1 36 36 VAL HG23 H 1 0.202 0.020 . 1 . . . . A 36 VAL HG23 . 34648 1 403 . 1 . 1 36 36 VAL C C 13 176.700 0.3 . 1 . . . . A 36 VAL C . 34648 1 404 . 1 . 1 36 36 VAL CA C 13 59.214 0.3 . 1 . . . . A 36 VAL CA . 34648 1 405 . 1 . 1 36 36 VAL CB C 13 33.403 0.3 . 1 . . . . A 36 VAL CB . 34648 1 406 . 1 . 1 36 36 VAL CG1 C 13 19.931 0.3 . 1 . . . . A 36 VAL CG1 . 34648 1 407 . 1 . 1 36 36 VAL CG2 C 13 20.483 0.3 . 1 . . . . A 36 VAL CG2 . 34648 1 408 . 1 . 1 36 36 VAL N N 15 118.325 0.3 . 1 . . . . A 36 VAL N . 34648 1 409 . 1 . 1 37 37 ASN H H 1 8.612 0.020 . 1 . . . . A 37 ASN H . 34648 1 410 . 1 . 1 37 37 ASN HA H 1 4.929 0.020 . 1 . . . . A 37 ASN HA . 34648 1 411 . 1 . 1 37 37 ASN HB2 H 1 2.824 0.020 . 2 . . . . A 37 ASN HB2 . 34648 1 412 . 1 . 1 37 37 ASN HB3 H 1 3.411 0.020 . 2 . . . . A 37 ASN HB3 . 34648 1 413 . 1 . 1 37 37 ASN HD21 H 1 7.652 0.020 . 1 . . . . A 37 ASN HD21 . 34648 1 414 . 1 . 1 37 37 ASN HD22 H 1 7.652 0.020 . 1 . . . . A 37 ASN HD22 . 34648 1 415 . 1 . 1 37 37 ASN C C 13 177.463 0.3 . 1 . . . . A 37 ASN C . 34648 1 416 . 1 . 1 37 37 ASN CA C 13 50.425 0.3 . 1 . . . . A 37 ASN CA . 34648 1 417 . 1 . 1 37 37 ASN CB C 13 38.566 0.3 . 1 . . . . A 37 ASN CB . 34648 1 418 . 1 . 1 37 37 ASN N N 15 124.304 0.3 . 1 . . . . A 37 ASN N . 34648 1 419 . 1 . 1 37 37 ASN ND2 N 15 112.774 0.3 . 1 . . . . A 37 ASN ND2 . 34648 1 420 . 1 . 1 38 38 GLU H H 1 9.220 0.020 . 1 . . . . A 38 GLU H . 34648 1 421 . 1 . 1 38 38 GLU HA H 1 4.103 0.020 . 1 . . . . A 38 GLU HA . 34648 1 422 . 1 . 1 38 38 GLU HB2 H 1 2.012 0.020 . 2 . . . . A 38 GLU HB2 . 34648 1 423 . 1 . 1 38 38 GLU HB3 H 1 2.071 0.020 . 2 . . . . A 38 GLU HB3 . 34648 1 424 . 1 . 1 38 38 GLU HG2 H 1 2.226 0.020 . 2 . . . . A 38 GLU HG2 . 34648 1 425 . 1 . 1 38 38 GLU HG3 H 1 2.334 0.020 . 2 . . . . A 38 GLU HG3 . 34648 1 426 . 1 . 1 38 38 GLU C C 13 176.954 0.3 . 1 . . . . A 38 GLU C . 34648 1 427 . 1 . 1 38 38 GLU CA C 13 58.446 0.3 . 1 . . . . A 38 GLU CA . 34648 1 428 . 1 . 1 38 38 GLU CB C 13 28.068 0.3 . 1 . . . . A 38 GLU CB . 34648 1 429 . 1 . 1 38 38 GLU CG C 13 35.483 0.3 . 1 . . . . A 38 GLU CG . 34648 1 430 . 1 . 1 38 38 GLU N N 15 118.012 0.3 . 1 . . . . A 38 GLU N . 34648 1 431 . 1 . 1 39 39 ARG H H 1 7.565 0.020 . 1 . . . . A 39 ARG H . 34648 1 432 . 1 . 1 39 39 ARG HA H 1 4.402 0.020 . 1 . . . . A 39 ARG HA . 34648 1 433 . 1 . 1 39 39 ARG HB2 H 1 1.677 0.020 . 2 . . . . A 39 ARG HB2 . 34648 1 434 . 1 . 1 39 39 ARG HB3 H 1 1.990 0.020 . 2 . . . . A 39 ARG HB3 . 34648 1 435 . 1 . 1 39 39 ARG HG2 H 1 1.282 0.020 . 2 . . . . A 39 ARG HG2 . 34648 1 436 . 1 . 1 39 39 ARG HG3 H 1 1.533 0.020 . 2 . . . . A 39 ARG HG3 . 34648 1 437 . 1 . 1 39 39 ARG HD2 H 1 3.145 0.020 . 1 . . . . A 39 ARG HD2 . 34648 1 438 . 1 . 1 39 39 ARG HD3 H 1 3.145 0.020 . 1 . . . . A 39 ARG HD3 . 34648 1 439 . 1 . 1 39 39 ARG C C 13 176.330 0.3 . 1 . . . . A 39 ARG C . 34648 1 440 . 1 . 1 39 39 ARG CA C 13 54.951 0.3 . 1 . . . . A 39 ARG CA . 34648 1 441 . 1 . 1 39 39 ARG CB C 13 30.149 0.3 . 1 . . . . A 39 ARG CB . 34648 1 442 . 1 . 1 39 39 ARG CG C 13 27.602 0.3 . 1 . . . . A 39 ARG CG . 34648 1 443 . 1 . 1 39 39 ARG CD C 13 42.814 0.3 . 1 . . . . A 39 ARG CD . 34648 1 444 . 1 . 1 39 39 ARG N N 15 117.512 0.3 . 1 . . . . A 39 ARG N . 34648 1 445 . 1 . 1 40 40 GLY H H 1 8.045 0.020 . 1 . . . . A 40 GLY H . 34648 1 446 . 1 . 1 40 40 GLY HA2 H 1 3.414 0.020 . 2 . . . . A 40 GLY HA2 . 34648 1 447 . 1 . 1 40 40 GLY HA3 H 1 4.107 0.020 . 2 . . . . A 40 GLY HA3 . 34648 1 448 . 1 . 1 40 40 GLY C C 13 173.738 0.3 . 1 . . . . A 40 GLY C . 34648 1 449 . 1 . 1 40 40 GLY CA C 13 45.121 0.3 . 1 . . . . A 40 GLY CA . 34648 1 450 . 1 . 1 40 40 GLY N N 15 107.612 0.3 . 1 . . . . A 40 GLY N . 34648 1 451 . 1 . 1 41 41 GLU H H 1 7.742 0.020 . 1 . . . . A 41 GLU H . 34648 1 452 . 1 . 1 41 41 GLU HA H 1 4.422 0.020 . 1 . . . . A 41 GLU HA . 34648 1 453 . 1 . 1 41 41 GLU HB2 H 1 1.909 0.020 . 2 . . . . A 41 GLU HB2 . 34648 1 454 . 1 . 1 41 41 GLU HB3 H 1 1.957 0.020 . 2 . . . . A 41 GLU HB3 . 34648 1 455 . 1 . 1 41 41 GLU HG2 H 1 2.133 0.020 . 2 . . . . A 41 GLU HG2 . 34648 1 456 . 1 . 1 41 41 GLU HG3 H 1 2.221 0.020 . 2 . . . . A 41 GLU HG3 . 34648 1 457 . 1 . 1 41 41 GLU C C 13 175.219 0.3 . 1 . . . . A 41 GLU C . 34648 1 458 . 1 . 1 41 41 GLU CA C 13 54.316 0.3 . 1 . . . . A 41 GLU CA . 34648 1 459 . 1 . 1 41 41 GLU CB C 13 30.068 0.3 . 1 . . . . A 41 GLU CB . 34648 1 460 . 1 . 1 41 41 GLU CG C 13 35.363 0.3 . 1 . . . . A 41 GLU CG . 34648 1 461 . 1 . 1 41 41 GLU N N 15 119.775 0.3 . 1 . . . . A 41 GLU N . 34648 1 462 . 1 . 1 42 42 TYR H H 1 8.570 0.020 . 1 . . . . A 42 TYR H . 34648 1 463 . 1 . 1 42 42 TYR HA H 1 4.938 0.020 . 1 . . . . A 42 TYR HA . 34648 1 464 . 1 . 1 42 42 TYR HB2 H 1 2.749 0.020 . 1 . . . . A 42 TYR HB2 . 34648 1 465 . 1 . 1 42 42 TYR HB3 H 1 2.749 0.020 . 1 . . . . A 42 TYR HB3 . 34648 1 466 . 1 . 1 42 42 TYR HD1 H 1 6.992 0.020 . 1 . . . . A 42 TYR HD1 . 34648 1 467 . 1 . 1 42 42 TYR HD2 H 1 6.992 0.020 . 1 . . . . A 42 TYR HD2 . 34648 1 468 . 1 . 1 42 42 TYR HE1 H 1 6.588 0.020 . 1 . . . . A 42 TYR HE1 . 34648 1 469 . 1 . 1 42 42 TYR HE2 H 1 6.588 0.020 . 1 . . . . A 42 TYR HE2 . 34648 1 470 . 1 . 1 42 42 TYR C C 13 176.329 0.3 . 1 . . . . A 42 TYR C . 34648 1 471 . 1 . 1 42 42 TYR CA C 13 57.613 0.3 . 1 . . . . A 42 TYR CA . 34648 1 472 . 1 . 1 42 42 TYR CB C 13 38.825 0.3 . 1 . . . . A 42 TYR CB . 34648 1 473 . 1 . 1 42 42 TYR CD1 C 13 132.571 0.3 . 1 . . . . A 42 TYR CD1 . 34648 1 474 . 1 . 1 42 42 TYR CE1 C 13 117.411 0.3 . 1 . . . . A 42 TYR CE1 . 34648 1 475 . 1 . 1 42 42 TYR N N 15 123.021 0.3 . 1 . . . . A 42 TYR N . 34648 1 476 . 1 . 1 43 43 PHE H H 1 9.568 0.020 . 1 . . . . A 43 PHE H . 34648 1 477 . 1 . 1 43 43 PHE HA H 1 4.916 0.020 . 1 . . . . A 43 PHE HA . 34648 1 478 . 1 . 1 43 43 PHE HB2 H 1 2.986 0.020 . 1 . . . . A 43 PHE HB2 . 34648 1 479 . 1 . 1 43 43 PHE HB3 H 1 2.986 0.020 . 1 . . . . A 43 PHE HB3 . 34648 1 480 . 1 . 1 43 43 PHE HD1 H 1 7.103 0.020 . 1 . . . . A 43 PHE HD1 . 34648 1 481 . 1 . 1 43 43 PHE HE1 H 1 7.077 0.020 . 1 . . . . A 43 PHE HE1 . 34648 1 482 . 1 . 1 43 43 PHE HE2 H 1 7.077 0.020 . 1 . . . . A 43 PHE HE2 . 34648 1 483 . 1 . 1 43 43 PHE HZ H 1 7.137 0.020 . 1 . . . . A 43 PHE HZ . 34648 1 484 . 1 . 1 43 43 PHE CA C 13 56.073 0.3 . 1 . . . . A 43 PHE CA . 34648 1 485 . 1 . 1 43 43 PHE CB C 13 41.852 0.3 . 1 . . . . A 43 PHE CB . 34648 1 486 . 1 . 1 43 43 PHE CD1 C 13 132.251 0.3 . 1 . . . . A 43 PHE CD1 . 34648 1 487 . 1 . 1 43 43 PHE CE1 C 13 130.725 0.3 . 1 . . . . A 43 PHE CE1 . 34648 1 488 . 1 . 1 43 43 PHE CZ C 13 129.675 0.3 . 1 . . . . A 43 PHE CZ . 34648 1 489 . 1 . 1 43 43 PHE N N 15 121.983 0.3 . 1 . . . . A 43 PHE N . 34648 1 490 . 1 . 1 44 44 TRP HA H 1 5.664 0.020 . 1 . . . . A 44 TRP HA . 34648 1 491 . 1 . 1 44 44 TRP HB2 H 1 3.011 0.020 . 2 . . . . A 44 TRP HB2 . 34648 1 492 . 1 . 1 44 44 TRP HB3 H 1 3.410 0.020 . 2 . . . . A 44 TRP HB3 . 34648 1 493 . 1 . 1 44 44 TRP HD1 H 1 7.403 0.020 . 1 . . . . A 44 TRP HD1 . 34648 1 494 . 1 . 1 44 44 TRP HE3 H 1 7.693 0.020 . 1 . . . . A 44 TRP HE3 . 34648 1 495 . 1 . 1 44 44 TRP HZ2 H 1 7.658 0.020 . 1 . . . . A 44 TRP HZ2 . 34648 1 496 . 1 . 1 44 44 TRP HZ3 H 1 7.151 0.020 . 1 . . . . A 44 TRP HZ3 . 34648 1 497 . 1 . 1 44 44 TRP HH2 H 1 7.329 0.020 . 1 . . . . A 44 TRP HH2 . 34648 1 498 . 1 . 1 44 44 TRP CA C 13 53.506 0.3 . 1 . . . . A 44 TRP CA . 34648 1 499 . 1 . 1 44 44 TRP CB C 13 30.568 0.3 . 1 . . . . A 44 TRP CB . 34648 1 500 . 1 . 1 44 44 TRP CD1 C 13 126.302 0.3 . 1 . . . . A 44 TRP CD1 . 34648 1 501 . 1 . 1 44 44 TRP CE3 C 13 121.793 0.3 . 1 . . . . A 44 TRP CE3 . 34648 1 502 . 1 . 1 44 44 TRP CZ2 C 13 113.808 0.3 . 1 . . . . A 44 TRP CZ2 . 34648 1 503 . 1 . 1 44 44 TRP CZ3 C 13 121.496 0.3 . 1 . . . . A 44 TRP CZ3 . 34648 1 504 . 1 . 1 44 44 TRP CH2 C 13 124.289 0.3 . 1 . . . . A 44 TRP CH2 . 34648 1 505 . 1 . 1 45 45 GLU HA H 1 4.314 0.020 . 1 . . . . A 45 GLU HA . 34648 1 506 . 1 . 1 45 45 GLU HB2 H 1 1.707 0.020 . 2 . . . . A 45 GLU HB2 . 34648 1 507 . 1 . 1 45 45 GLU HB3 H 1 2.045 0.020 . 2 . . . . A 45 GLU HB3 . 34648 1 508 . 1 . 1 45 45 GLU HG2 H 1 2.242 0.020 . 1 . . . . A 45 GLU HG2 . 34648 1 509 . 1 . 1 45 45 GLU HG3 H 1 2.242 0.020 . 1 . . . . A 45 GLU HG3 . 34648 1 510 . 1 . 1 45 45 GLU CA C 13 56.826 0.3 . 1 . . . . A 45 GLU CA . 34648 1 511 . 1 . 1 45 45 GLU CB C 13 31.314 0.3 . 1 . . . . A 45 GLU CB . 34648 1 512 . 1 . 1 45 45 GLU CG C 13 34.508 0.3 . 1 . . . . A 45 GLU CG . 34648 1 513 . 1 . 1 46 46 LYS HA H 1 5.284 0.020 . 1 . . . . A 46 LYS HA . 34648 1 514 . 1 . 1 46 46 LYS HB2 H 1 1.341 0.020 . 2 . . . . A 46 LYS HB2 . 34648 1 515 . 1 . 1 46 46 LYS HB3 H 1 1.546 0.020 . 2 . . . . A 46 LYS HB3 . 34648 1 516 . 1 . 1 46 46 LYS HG2 H 1 0.647 0.020 . 2 . . . . A 46 LYS HG2 . 34648 1 517 . 1 . 1 46 46 LYS HG3 H 1 0.837 0.020 . 2 . . . . A 46 LYS HG3 . 34648 1 518 . 1 . 1 46 46 LYS HE2 H 1 2.631 0.020 . 2 . . . . A 46 LYS HE2 . 34648 1 519 . 1 . 1 46 46 LYS HE3 H 1 2.703 0.020 . 2 . . . . A 46 LYS HE3 . 34648 1 520 . 1 . 1 46 46 LYS C C 13 175.520 0.3 . 1 . . . . A 46 LYS C . 34648 1 521 . 1 . 1 46 46 LYS CA C 13 54.019 0.3 . 1 . . . . A 46 LYS CA . 34648 1 522 . 1 . 1 46 46 LYS CB C 13 34.689 0.3 . 1 . . . . A 46 LYS CB . 34648 1 523 . 1 . 1 46 46 LYS CG C 13 24.181 0.3 . 1 . . . . A 46 LYS CG . 34648 1 524 . 1 . 1 46 46 LYS CD C 13 29.403 0.3 . 1 . . . . A 46 LYS CD . 34648 1 525 . 1 . 1 46 46 LYS CE C 13 41.300 0.3 . 1 . . . . A 46 LYS CE . 34648 1 526 . 1 . 1 47 47 ARG H H 1 9.192 0.020 . 1 . . . . A 47 ARG H . 34648 1 527 . 1 . 1 47 47 ARG HA H 1 4.746 0.020 . 1 . . . . A 47 ARG HA . 34648 1 528 . 1 . 1 47 47 ARG HB2 H 1 1.730 0.020 . 2 . . . . A 47 ARG HB2 . 34648 1 529 . 1 . 1 47 47 ARG HB3 H 1 1.865 0.020 . 2 . . . . A 47 ARG HB3 . 34648 1 530 . 1 . 1 47 47 ARG HD2 H 1 3.101 0.020 . 2 . . . . A 47 ARG HD2 . 34648 1 531 . 1 . 1 47 47 ARG HD3 H 1 3.025 0.020 . 2 . . . . A 47 ARG HD3 . 34648 1 532 . 1 . 1 47 47 ARG CA C 13 55.682 0.3 . 1 . . . . A 47 ARG CA . 34648 1 533 . 1 . 1 47 47 ARG CB C 13 33.310 0.3 . 1 . . . . A 47 ARG CB . 34648 1 534 . 1 . 1 47 47 ARG CG C 13 26.955 0.3 . 1 . . . . A 47 ARG CG . 34648 1 535 . 1 . 1 47 47 ARG CD C 13 42.875 0.3 . 1 . . . . A 47 ARG CD . 34648 1 536 . 1 . 1 47 47 ARG N N 15 125.166 0.3 . 1 . . . . A 47 ARG N . 34648 1 537 . 1 . 1 48 48 VAL HA H 1 4.658 0.020 . 1 . . . . A 48 VAL HA . 34648 1 538 . 1 . 1 48 48 VAL HB H 1 1.897 0.020 . 1 . . . . A 48 VAL HB . 34648 1 539 . 1 . 1 48 48 VAL HG11 H 1 0.872 0.020 . 1 . . . . A 48 VAL HG11 . 34648 1 540 . 1 . 1 48 48 VAL HG12 H 1 0.872 0.020 . 1 . . . . A 48 VAL HG12 . 34648 1 541 . 1 . 1 48 48 VAL HG13 H 1 0.872 0.020 . 1 . . . . A 48 VAL HG13 . 34648 1 542 . 1 . 1 48 48 VAL HG21 H 1 0.849 0.020 . 1 . . . . A 48 VAL HG21 . 34648 1 543 . 1 . 1 48 48 VAL HG22 H 1 0.849 0.020 . 1 . . . . A 48 VAL HG22 . 34648 1 544 . 1 . 1 48 48 VAL HG23 H 1 0.849 0.020 . 1 . . . . A 48 VAL HG23 . 34648 1 545 . 1 . 1 48 48 VAL C C 13 176.700 0.3 . 1 . . . . A 48 VAL C . 34648 1 546 . 1 . 1 48 48 VAL CA C 13 61.059 0.3 . 1 . . . . A 48 VAL CA . 34648 1 547 . 1 . 1 48 48 VAL CB C 13 33.178 0.3 . 1 . . . . A 48 VAL CB . 34648 1 548 . 1 . 1 48 48 VAL CG1 C 13 20.247 0.3 . 1 . . . . A 48 VAL CG1 . 34648 1 549 . 1 . 1 48 48 VAL CG2 C 13 20.904 0.3 . 1 . . . . A 48 VAL CG2 . 34648 1 550 . 1 . 1 49 49 THR H H 1 8.769 0.020 . 1 . . . . A 49 THR H . 34648 1 551 . 1 . 1 49 49 THR HA H 1 3.984 0.020 . 1 . . . . A 49 THR HA . 34648 1 552 . 1 . 1 49 49 THR HB H 1 4.215 0.020 . 1 . . . . A 49 THR HB . 34648 1 553 . 1 . 1 49 49 THR HG21 H 1 1.036 0.020 . 1 . . . . A 49 THR HG21 . 34648 1 554 . 1 . 1 49 49 THR HG22 H 1 1.036 0.020 . 1 . . . . A 49 THR HG22 . 34648 1 555 . 1 . 1 49 49 THR HG23 H 1 1.036 0.020 . 1 . . . . A 49 THR HG23 . 34648 1 556 . 1 . 1 49 49 THR CA C 13 60.285 0.3 . 1 . . . . A 49 THR CA . 34648 1 557 . 1 . 1 49 49 THR CB C 13 68.609 0.3 . 1 . . . . A 49 THR CB . 34648 1 558 . 1 . 1 49 49 THR CG2 C 13 21.037 0.3 . 1 . . . . A 49 THR CG2 . 34648 1 559 . 1 . 1 49 49 THR N N 15 125.158 0.3 . 1 . . . . A 49 THR N . 34648 1 560 . 1 . 1 50 50 GLY HA2 H 1 3.672 0.020 . 2 . . . . A 50 GLY HA2 . 34648 1 561 . 1 . 1 50 50 GLY HA3 H 1 4.060 0.020 . 2 . . . . A 50 GLY HA3 . 34648 1 562 . 1 . 1 50 50 GLY C C 13 173.438 0.3 . 1 . . . . A 50 GLY C . 34648 1 563 . 1 . 1 50 50 GLY CA C 13 44.708 0.3 . 1 . . . . A 50 GLY CA . 34648 1 564 . 1 . 1 51 51 CYS H H 1 8.241 0.020 . 1 . . . . A 51 CYS H . 34648 1 565 . 1 . 1 51 51 CYS HA H 1 5.205 0.020 . 1 . . . . A 51 CYS HA . 34648 1 566 . 1 . 1 51 51 CYS HB2 H 1 2.527 0.020 . 2 . . . . A 51 CYS HB2 . 34648 1 567 . 1 . 1 51 51 CYS HB3 H 1 3.418 0.020 . 2 . . . . A 51 CYS HB3 . 34648 1 568 . 1 . 1 51 51 CYS CA C 13 51.819 0.3 . 1 . . . . A 51 CYS CA . 34648 1 569 . 1 . 1 51 51 CYS CB C 13 39.117 0.3 . 1 . . . . A 51 CYS CB . 34648 1 570 . 1 . 1 51 51 CYS N N 15 120.552 0.3 . 1 . . . . A 51 CYS N . 34648 1 571 . 1 . 1 52 52 PRO HA H 1 4.792 0.020 . 1 . . . . A 52 PRO HA . 34648 1 572 . 1 . 1 52 52 PRO HB2 H 1 1.952 0.020 . 2 . . . . A 52 PRO HB2 . 34648 1 573 . 1 . 1 52 52 PRO HB3 H 1 2.362 0.020 . 2 . . . . A 52 PRO HB3 . 34648 1 574 . 1 . 1 52 52 PRO HG2 H 1 1.996 0.020 . 1 . . . . A 52 PRO HG2 . 34648 1 575 . 1 . 1 52 52 PRO HG3 H 1 1.996 0.020 . 1 . . . . A 52 PRO HG3 . 34648 1 576 . 1 . 1 52 52 PRO HD2 H 1 3.649 0.020 . 2 . . . . A 52 PRO HD2 . 34648 1 577 . 1 . 1 52 52 PRO HD3 H 1 3.833 0.020 . 2 . . . . A 52 PRO HD3 . 34648 1 578 . 1 . 1 52 52 PRO CA C 13 61.012 0.3 . 1 . . . . A 52 PRO CA . 34648 1 579 . 1 . 1 52 52 PRO CB C 13 30.119 0.3 . 1 . . . . A 52 PRO CB . 34648 1 580 . 1 . 1 52 52 PRO CG C 13 26.885 0.3 . 1 . . . . A 52 PRO CG . 34648 1 581 . 1 . 1 52 52 PRO CD C 13 49.942 0.3 . 1 . . . . A 52 PRO CD . 34648 1 582 . 1 . 1 53 53 PRO HA H 1 4.360 0.020 . 1 . . . . A 53 PRO HA . 34648 1 583 . 1 . 1 53 53 PRO HB2 H 1 1.832 0.020 . 2 . . . . A 53 PRO HB2 . 34648 1 584 . 1 . 1 53 53 PRO HB3 H 1 2.243 0.020 . 2 . . . . A 53 PRO HB3 . 34648 1 585 . 1 . 1 53 53 PRO HG2 H 1 1.992 0.020 . 2 . . . . A 53 PRO HG2 . 34648 1 586 . 1 . 1 53 53 PRO HG3 H 1 2.079 0.020 . 2 . . . . A 53 PRO HG3 . 34648 1 587 . 1 . 1 53 53 PRO HD2 H 1 3.603 0.020 . 2 . . . . A 53 PRO HD2 . 34648 1 588 . 1 . 1 53 53 PRO HD3 H 1 3.848 0.020 . 2 . . . . A 53 PRO HD3 . 34648 1 589 . 1 . 1 53 53 PRO C C 13 176.075 0.3 . 1 . . . . A 53 PRO C . 34648 1 590 . 1 . 1 53 53 PRO CA C 13 63.244 0.3 . 1 . . . . A 53 PRO CA . 34648 1 591 . 1 . 1 53 53 PRO CB C 13 31.532 0.3 . 1 . . . . A 53 PRO CB . 34648 1 592 . 1 . 1 53 53 PRO CG C 13 27.235 0.3 . 1 . . . . A 53 PRO CG . 34648 1 593 . 1 . 1 53 53 PRO CD C 13 50.059 0.3 . 1 . . . . A 53 PRO CD . 34648 1 594 . 1 . 1 54 54 PHE H H 1 8.474 0.020 . 1 . . . . A 54 PHE H . 34648 1 595 . 1 . 1 54 54 PHE HA H 1 4.704 0.020 . 1 . . . . A 54 PHE HA . 34648 1 596 . 1 . 1 54 54 PHE HB2 H 1 2.847 0.020 . 2 . . . . A 54 PHE HB2 . 34648 1 597 . 1 . 1 54 54 PHE HB3 H 1 3.122 0.020 . 2 . . . . A 54 PHE HB3 . 34648 1 598 . 1 . 1 54 54 PHE HD1 H 1 7.209 0.020 . 1 . . . . A 54 PHE HD1 . 34648 1 599 . 1 . 1 54 54 PHE HD2 H 1 7.209 0.020 . 1 . . . . A 54 PHE HD2 . 34648 1 600 . 1 . 1 54 54 PHE HE1 H 1 7.136 0.020 . 1 . . . . A 54 PHE HE1 . 34648 1 601 . 1 . 1 54 54 PHE HE2 H 1 7.136 0.020 . 1 . . . . A 54 PHE HE2 . 34648 1 602 . 1 . 1 54 54 PHE HZ H 1 6.967 0.020 . 1 . . . . A 54 PHE HZ . 34648 1 603 . 1 . 1 54 54 PHE C C 13 172.720 0.3 . 1 . . . . A 54 PHE C . 34648 1 604 . 1 . 1 54 54 PHE CA C 13 56.709 0.3 . 1 . . . . A 54 PHE CA . 34648 1 605 . 1 . 1 54 54 PHE CB C 13 41.578 0.3 . 1 . . . . A 54 PHE CB . 34648 1 606 . 1 . 1 54 54 PHE CD1 C 13 131.783 0.3 . 1 . . . . A 54 PHE CD1 . 34648 1 607 . 1 . 1 54 54 PHE CE1 C 13 130.379 0.3 . 1 . . . . A 54 PHE CE1 . 34648 1 608 . 1 . 1 54 54 PHE CZ C 13 128.214 0.3 . 1 . . . . A 54 PHE CZ . 34648 1 609 . 1 . 1 54 54 PHE N N 15 123.298 0.3 . 1 . . . . A 54 PHE N . 34648 1 610 . 1 . 1 55 55 ASP H H 1 8.003 0.020 . 1 . . . . A 55 ASP H . 34648 1 611 . 1 . 1 55 55 ASP HA H 1 4.504 0.020 . 1 . . . . A 55 ASP HA . 34648 1 612 . 1 . 1 55 55 ASP HB2 H 1 2.283 0.020 . 2 . . . . A 55 ASP HB2 . 34648 1 613 . 1 . 1 55 55 ASP HB3 H 1 2.663 0.020 . 2 . . . . A 55 ASP HB3 . 34648 1 614 . 1 . 1 55 55 ASP C C 13 175.034 0.3 . 1 . . . . A 55 ASP C . 34648 1 615 . 1 . 1 55 55 ASP CA C 13 51.386 0.3 . 1 . . . . A 55 ASP CA . 34648 1 616 . 1 . 1 55 55 ASP CB C 13 40.809 0.3 . 1 . . . . A 55 ASP CB . 34648 1 617 . 1 . 1 55 55 ASP N N 15 127.185 0.3 . 1 . . . . A 55 ASP N . 34648 1 618 . 1 . 1 56 56 GLU H H 1 8.463 0.020 . 1 . . . . A 56 GLU H . 34648 1 619 . 1 . 1 56 56 GLU HA H 1 3.365 0.020 . 1 . . . . A 56 GLU HA . 34648 1 620 . 1 . 1 56 56 GLU HB2 H 1 1.880 0.020 . 2 . . . . A 56 GLU HB2 . 34648 1 621 . 1 . 1 56 56 GLU HB3 H 1 1.998 0.020 . 2 . . . . A 56 GLU HB3 . 34648 1 622 . 1 . 1 56 56 GLU HG2 H 1 2.035 0.020 . 2 . . . . A 56 GLU HG2 . 34648 1 623 . 1 . 1 56 56 GLU HG3 H 1 2.209 0.020 . 2 . . . . A 56 GLU HG3 . 34648 1 624 . 1 . 1 56 56 GLU C C 13 177.209 0.3 . 1 . . . . A 56 GLU C . 34648 1 625 . 1 . 1 56 56 GLU CA C 13 58.888 0.3 . 1 . . . . A 56 GLU CA . 34648 1 626 . 1 . 1 56 56 GLU CB C 13 28.871 0.3 . 1 . . . . A 56 GLU CB . 34648 1 627 . 1 . 1 56 56 GLU CG C 13 34.783 0.3 . 1 . . . . A 56 GLU CG . 34648 1 628 . 1 . 1 56 56 GLU N N 15 127.146 0.3 . 1 . . . . A 56 GLU N . 34648 1 629 . 1 . 1 57 57 HIS H H 1 8.244 0.020 . 1 . . . . A 57 HIS H . 34648 1 630 . 1 . 1 57 57 HIS HA H 1 4.117 0.020 . 1 . . . . A 57 HIS HA . 34648 1 631 . 1 . 1 57 57 HIS HB2 H 1 3.235 0.020 . 2 . . . . A 57 HIS HB2 . 34648 1 632 . 1 . 1 57 57 HIS HB3 H 1 3.296 0.020 . 2 . . . . A 57 HIS HB3 . 34648 1 633 . 1 . 1 57 57 HIS HD2 H 1 7.259 0.020 . 1 . . . . A 57 HIS HD2 . 34648 1 634 . 1 . 1 57 57 HIS C C 13 177.139 0.3 . 1 . . . . A 57 HIS C . 34648 1 635 . 1 . 1 57 57 HIS CA C 13 58.645 0.3 . 1 . . . . A 57 HIS CA . 34648 1 636 . 1 . 1 57 57 HIS CB C 13 27.085 0.3 . 1 . . . . A 57 HIS CB . 34648 1 637 . 1 . 1 57 57 HIS CD2 C 13 119.600 0.3 . 1 . . . . A 57 HIS CD2 . 34648 1 638 . 1 . 1 57 57 HIS N N 15 116.775 0.3 . 1 . . . . A 57 HIS N . 34648 1 639 . 1 . 1 58 58 LYS H H 1 7.894 0.020 . 1 . . . . A 58 LYS H . 34648 1 640 . 1 . 1 58 58 LYS HA H 1 3.805 0.020 . 1 . . . . A 58 LYS HA . 34648 1 641 . 1 . 1 58 58 LYS HB2 H 1 1.526 0.020 . 2 . . . . A 58 LYS HB2 . 34648 1 642 . 1 . 1 58 58 LYS HB3 H 1 1.624 0.020 . 2 . . . . A 58 LYS HB3 . 34648 1 643 . 1 . 1 58 58 LYS HG2 H 1 1.209 0.020 . 2 . . . . A 58 LYS HG2 . 34648 1 644 . 1 . 1 58 58 LYS HG3 H 1 1.330 0.020 . 2 . . . . A 58 LYS HG3 . 34648 1 645 . 1 . 1 58 58 LYS HE2 H 1 2.920 0.020 . 1 . . . . A 58 LYS HE2 . 34648 1 646 . 1 . 1 58 58 LYS HE3 H 1 2.920 0.020 . 1 . . . . A 58 LYS HE3 . 34648 1 647 . 1 . 1 58 58 LYS C C 13 177.347 0.3 . 1 . . . . A 58 LYS C . 34648 1 648 . 1 . 1 58 58 LYS CA C 13 58.521 0.3 . 1 . . . . A 58 LYS CA . 34648 1 649 . 1 . 1 58 58 LYS CB C 13 32.323 0.3 . 1 . . . . A 58 LYS CB . 34648 1 650 . 1 . 1 58 58 LYS CG C 13 24.124 0.3 . 1 . . . . A 58 LYS CG . 34648 1 651 . 1 . 1 58 58 LYS CD C 13 29.207 0.3 . 1 . . . . A 58 LYS CD . 34648 1 652 . 1 . 1 58 58 LYS CE C 13 41.716 0.3 . 1 . . . . A 58 LYS CE . 34648 1 653 . 1 . 1 58 58 LYS N N 15 121.714 0.3 . 1 . . . . A 58 LYS N . 34648 1 654 . 1 . 1 59 59 CYS H H 1 7.271 0.020 . 1 . . . . A 59 CYS H . 34648 1 655 . 1 . 1 59 59 CYS HA H 1 4.324 0.020 . 1 . . . . A 59 CYS HA . 34648 1 656 . 1 . 1 59 59 CYS HB2 H 1 2.797 0.020 . 2 . . . . A 59 CYS HB2 . 34648 1 657 . 1 . 1 59 59 CYS HB3 H 1 3.094 0.020 . 2 . . . . A 59 CYS HB3 . 34648 1 658 . 1 . 1 59 59 CYS C C 13 176.700 0.3 . 1 . . . . A 59 CYS C . 34648 1 659 . 1 . 1 59 59 CYS CA C 13 57.696 0.3 . 1 . . . . A 59 CYS CA . 34648 1 660 . 1 . 1 59 59 CYS CB C 13 37.490 0.3 . 1 . . . . A 59 CYS CB . 34648 1 661 . 1 . 1 59 59 CYS N N 15 114.802 0.3 . 1 . . . . A 59 CYS N . 34648 1 662 . 1 . 1 60 60 LEU H H 1 7.769 0.020 . 1 . . . . A 60 LEU H . 34648 1 663 . 1 . 1 60 60 LEU HA H 1 4.045 0.020 . 1 . . . . A 60 LEU HA . 34648 1 664 . 1 . 1 60 60 LEU HB2 H 1 1.442 0.020 . 2 . . . . A 60 LEU HB2 . 34648 1 665 . 1 . 1 60 60 LEU HB3 H 1 1.710 0.020 . 2 . . . . A 60 LEU HB3 . 34648 1 666 . 1 . 1 60 60 LEU HG H 1 1.741 0.020 . 1 . . . . A 60 LEU HG . 34648 1 667 . 1 . 1 60 60 LEU HD11 H 1 0.861 0.020 . 1 . . . . A 60 LEU HD11 . 34648 1 668 . 1 . 1 60 60 LEU HD12 H 1 0.861 0.020 . 1 . . . . A 60 LEU HD12 . 34648 1 669 . 1 . 1 60 60 LEU HD13 H 1 0.861 0.020 . 1 . . . . A 60 LEU HD13 . 34648 1 670 . 1 . 1 60 60 LEU HD21 H 1 0.844 0.020 . 1 . . . . A 60 LEU HD21 . 34648 1 671 . 1 . 1 60 60 LEU HD22 H 1 0.844 0.020 . 1 . . . . A 60 LEU HD22 . 34648 1 672 . 1 . 1 60 60 LEU HD23 H 1 0.844 0.020 . 1 . . . . A 60 LEU HD23 . 34648 1 673 . 1 . 1 60 60 LEU C C 13 181.442 0.3 . 1 . . . . A 60 LEU C . 34648 1 674 . 1 . 1 60 60 LEU CA C 13 56.903 0.3 . 1 . . . . A 60 LEU CA . 34648 1 675 . 1 . 1 60 60 LEU CB C 13 41.013 0.3 . 1 . . . . A 60 LEU CB . 34648 1 676 . 1 . 1 60 60 LEU CG C 13 26.692 0.3 . 1 . . . . A 60 LEU CG . 34648 1 677 . 1 . 1 60 60 LEU CD1 C 13 21.784 0.3 . 1 . . . . A 60 LEU CD1 . 34648 1 678 . 1 . 1 60 60 LEU CD2 C 13 24.884 0.3 . 1 . . . . A 60 LEU CD2 . 34648 1 679 . 1 . 1 60 60 LEU N N 15 116.864 0.3 . 1 . . . . A 60 LEU N . 34648 1 680 . 1 . 1 61 61 ALA H H 1 8.412 0.020 . 1 . . . . A 61 ALA H . 34648 1 681 . 1 . 1 61 61 ALA HA H 1 4.035 0.020 . 1 . . . . A 61 ALA HA . 34648 1 682 . 1 . 1 61 61 ALA HB1 H 1 1.316 0.020 . 1 . . . . A 61 ALA HB1 . 34648 1 683 . 1 . 1 61 61 ALA HB2 H 1 1.316 0.020 . 1 . . . . A 61 ALA HB2 . 34648 1 684 . 1 . 1 61 61 ALA HB3 H 1 1.316 0.020 . 1 . . . . A 61 ALA HB3 . 34648 1 685 . 1 . 1 61 61 ALA C C 13 179.406 0.3 . 1 . . . . A 61 ALA C . 34648 1 686 . 1 . 1 61 61 ALA CA C 13 54.271 0.3 . 1 . . . . A 61 ALA CA . 34648 1 687 . 1 . 1 61 61 ALA CB C 13 17.592 0.3 . 1 . . . . A 61 ALA CB . 34648 1 688 . 1 . 1 61 61 ALA N N 15 123.250 0.3 . 1 . . . . A 61 ALA N . 34648 1 689 . 1 . 1 62 62 GLU H H 1 7.508 0.020 . 1 . . . . A 62 GLU H . 34648 1 690 . 1 . 1 62 62 GLU HA H 1 4.354 0.020 . 1 . . . . A 62 GLU HA . 34648 1 691 . 1 . 1 62 62 GLU HB2 H 1 2.038 0.020 . 2 . . . . A 62 GLU HB2 . 34648 1 692 . 1 . 1 62 62 GLU HB3 H 1 2.184 0.020 . 2 . . . . A 62 GLU HB3 . 34648 1 693 . 1 . 1 62 62 GLU HG2 H 1 2.321 0.020 . 2 . . . . A 62 GLU HG2 . 34648 1 694 . 1 . 1 62 62 GLU HG3 H 1 2.480 0.020 . 2 . . . . A 62 GLU HG3 . 34648 1 695 . 1 . 1 62 62 GLU C C 13 176.468 0.3 . 1 . . . . A 62 GLU C . 34648 1 696 . 1 . 1 62 62 GLU CA C 13 54.923 0.3 . 1 . . . . A 62 GLU CA . 34648 1 697 . 1 . 1 62 62 GLU CB C 13 28.037 0.3 . 1 . . . . A 62 GLU CB . 34648 1 698 . 1 . 1 62 62 GLU CG C 13 34.872 0.3 . 1 . . . . A 62 GLU CG . 34648 1 699 . 1 . 1 62 62 GLU N N 15 114.720 0.3 . 1 . . . . A 62 GLU N . 34648 1 700 . 1 . 1 63 63 GLY H H 1 7.814 0.020 . 1 . . . . A 63 GLY H . 34648 1 701 . 1 . 1 63 63 GLY HA2 H 1 3.802 0.020 . 2 . . . . A 63 GLY HA2 . 34648 1 702 . 1 . 1 63 63 GLY HA3 H 1 4.145 0.020 . 2 . . . . A 63 GLY HA3 . 34648 1 703 . 1 . 1 63 63 GLY C C 13 175.126 0.3 . 1 . . . . A 63 GLY C . 34648 1 704 . 1 . 1 63 63 GLY CA C 13 45.139 0.3 . 1 . . . . A 63 GLY CA . 34648 1 705 . 1 . 1 63 63 GLY N N 15 107.886 0.3 . 1 . . . . A 63 GLY N . 34648 1 706 . 1 . 1 64 64 GLY H H 1 8.206 0.020 . 1 . . . . A 64 GLY H . 34648 1 707 . 1 . 1 64 64 GLY HA2 H 1 3.562 0.020 . 2 . . . . A 64 GLY HA2 . 34648 1 708 . 1 . 1 64 64 GLY HA3 H 1 4.287 0.020 . 2 . . . . A 64 GLY HA3 . 34648 1 709 . 1 . 1 64 64 GLY C C 13 171.633 0.3 . 1 . . . . A 64 GLY C . 34648 1 710 . 1 . 1 64 64 GLY CA C 13 43.976 0.3 . 1 . . . . A 64 GLY CA . 34648 1 711 . 1 . 1 64 64 GLY N N 15 108.545 0.3 . 1 . . . . A 64 GLY N . 34648 1 712 . 1 . 1 65 65 LYS H H 1 8.440 0.020 . 1 . . . . A 65 LYS H . 34648 1 713 . 1 . 1 65 65 LYS HA H 1 4.565 0.020 . 1 . . . . A 65 LYS HA . 34648 1 714 . 1 . 1 65 65 LYS HB2 H 1 1.584 0.020 . 2 . . . . A 65 LYS HB2 . 34648 1 715 . 1 . 1 65 65 LYS HB3 H 1 1.640 0.020 . 2 . . . . A 65 LYS HB3 . 34648 1 716 . 1 . 1 65 65 LYS HG2 H 1 1.545 0.020 . 1 . . . . A 65 LYS HG2 . 34648 1 717 . 1 . 1 65 65 LYS HG3 H 1 1.545 0.020 . 1 . . . . A 65 LYS HG3 . 34648 1 718 . 1 . 1 65 65 LYS HE2 H 1 2.680 0.020 . 1 . . . . A 65 LYS HE2 . 34648 1 719 . 1 . 1 65 65 LYS HE3 H 1 2.680 0.020 . 1 . . . . A 65 LYS HE3 . 34648 1 720 . 1 . 1 65 65 LYS CA C 13 53.612 0.3 . 1 . . . . A 65 LYS CA . 34648 1 721 . 1 . 1 65 65 LYS CB C 13 34.809 0.3 . 1 . . . . A 65 LYS CB . 34648 1 722 . 1 . 1 65 65 LYS CG C 13 28.953 0.3 . 1 . . . . A 65 LYS CG . 34648 1 723 . 1 . 1 65 65 LYS CD C 13 24.230 0.3 . 1 . . . . A 65 LYS CD . 34648 1 724 . 1 . 1 65 65 LYS N N 15 117.150 0.3 . 1 . . . . A 65 LYS N . 34648 1 725 . 1 . 1 66 66 ILE H H 1 8.428 0.020 . 1 . . . . A 66 ILE H . 34648 1 726 . 1 . 1 66 66 ILE HA H 1 4.527 0.020 . 1 . . . . A 66 ILE HA . 34648 1 727 . 1 . 1 66 66 ILE HB H 1 1.671 0.020 . 1 . . . . A 66 ILE HB . 34648 1 728 . 1 . 1 66 66 ILE HG12 H 1 1.200 0.020 . 1 . . . . A 66 ILE HG12 . 34648 1 729 . 1 . 1 66 66 ILE HG13 H 1 1.200 0.020 . 1 . . . . A 66 ILE HG13 . 34648 1 730 . 1 . 1 66 66 ILE HG21 H 1 0.776 0.020 . 1 . . . . A 66 ILE HG21 . 34648 1 731 . 1 . 1 66 66 ILE HG22 H 1 0.776 0.020 . 1 . . . . A 66 ILE HG22 . 34648 1 732 . 1 . 1 66 66 ILE HG23 H 1 0.776 0.020 . 1 . . . . A 66 ILE HG23 . 34648 1 733 . 1 . 1 66 66 ILE HD11 H 1 1.000 0.020 . 1 . . . . A 66 ILE HD11 . 34648 1 734 . 1 . 1 66 66 ILE HD12 H 1 1.000 0.020 . 1 . . . . A 66 ILE HD12 . 34648 1 735 . 1 . 1 66 66 ILE HD13 H 1 1.000 0.020 . 1 . . . . A 66 ILE HD13 . 34648 1 736 . 1 . 1 66 66 ILE C C 13 176.121 0.3 . 1 . . . . A 66 ILE C . 34648 1 737 . 1 . 1 66 66 ILE CA C 13 61.100 0.3 . 1 . . . . A 66 ILE CA . 34648 1 738 . 1 . 1 66 66 ILE CB C 13 37.480 0.3 . 1 . . . . A 66 ILE CB . 34648 1 739 . 1 . 1 66 66 ILE CG1 C 13 28.144 0.3 . 1 . . . . A 66 ILE CG1 . 34648 1 740 . 1 . 1 66 66 ILE CG2 C 13 17.294 0.3 . 1 . . . . A 66 ILE CG2 . 34648 1 741 . 1 . 1 66 66 ILE CD1 C 13 13.445 0.3 . 1 . . . . A 66 ILE CD1 . 34648 1 742 . 1 . 1 66 66 ILE N N 15 122.744 0.3 . 1 . . . . A 66 ILE N . 34648 1 743 . 1 . 1 67 67 MET H H 1 8.663 0.020 . 1 . . . . A 67 MET H . 34648 1 744 . 1 . 1 67 67 MET HA H 1 4.728 0.020 . 1 . . . . A 67 MET HA . 34648 1 745 . 1 . 1 67 67 MET HB2 H 1 1.630 0.020 . 2 . . . . A 67 MET HB2 . 34648 1 746 . 1 . 1 67 67 MET HB3 H 1 1.873 0.020 . 2 . . . . A 67 MET HB3 . 34648 1 747 . 1 . 1 67 67 MET HG2 H 1 2.276 0.020 . 1 . . . . A 67 MET HG2 . 34648 1 748 . 1 . 1 67 67 MET HG3 H 1 2.276 0.020 . 1 . . . . A 67 MET HG3 . 34648 1 749 . 1 . 1 67 67 MET C C 13 173.947 0.3 . 1 . . . . A 67 MET C . 34648 1 750 . 1 . 1 67 67 MET CA C 13 52.882 0.3 . 1 . . . . A 67 MET CA . 34648 1 751 . 1 . 1 67 67 MET CB C 13 35.587 0.3 . 1 . . . . A 67 MET CB . 34648 1 752 . 1 . 1 67 67 MET CG C 13 31.271 0.3 . 1 . . . . A 67 MET CG . 34648 1 753 . 1 . 1 67 67 MET N N 15 127.567 0.3 . 1 . . . . A 67 MET N . 34648 1 754 . 1 . 1 68 68 LYS H H 1 8.163 0.020 . 1 . . . . A 68 LYS H . 34648 1 755 . 1 . 1 68 68 LYS HA H 1 4.801 0.020 . 1 . . . . A 68 LYS HA . 34648 1 756 . 1 . 1 68 68 LYS HB2 H 1 1.530 0.020 . 1 . . . . A 68 LYS HB2 . 34648 1 757 . 1 . 1 68 68 LYS HB3 H 1 1.530 0.020 . 1 . . . . A 68 LYS HB3 . 34648 1 758 . 1 . 1 68 68 LYS HG2 H 1 0.859 0.020 . 2 . . . . A 68 LYS HG2 . 34648 1 759 . 1 . 1 68 68 LYS HG3 H 1 1.274 0.020 . 2 . . . . A 68 LYS HG3 . 34648 1 760 . 1 . 1 68 68 LYS C C 13 178.111 0.3 . 1 . . . . A 68 LYS C . 34648 1 761 . 1 . 1 68 68 LYS CA C 13 53.603 0.3 . 1 . . . . A 68 LYS CA . 34648 1 762 . 1 . 1 68 68 LYS CB C 13 32.083 0.3 . 1 . . . . A 68 LYS CB . 34648 1 763 . 1 . 1 68 68 LYS CG C 13 27.706 0.3 . 1 . . . . A 68 LYS CG . 34648 1 764 . 1 . 1 68 68 LYS CD C 13 23.894 0.3 . 1 . . . . A 68 LYS CD . 34648 1 765 . 1 . 1 68 68 LYS CE C 13 41.111 0.3 . 1 . . . . A 68 LYS CE . 34648 1 766 . 1 . 1 68 68 LYS N N 15 119.811 0.3 . 1 . . . . A 68 LYS N . 34648 1 767 . 1 . 1 69 69 ILE H H 1 8.536 0.020 . 1 . . . . A 69 ILE H . 34648 1 768 . 1 . 1 69 69 ILE HA H 1 4.029 0.020 . 1 . . . . A 69 ILE HA . 34648 1 769 . 1 . 1 69 69 ILE HB H 1 1.667 0.020 . 1 . . . . A 69 ILE HB . 34648 1 770 . 1 . 1 69 69 ILE HG12 H 1 1.275 0.020 . 1 . . . . A 69 ILE HG12 . 34648 1 771 . 1 . 1 69 69 ILE HG13 H 1 1.275 0.020 . 1 . . . . A 69 ILE HG13 . 34648 1 772 . 1 . 1 69 69 ILE HG21 H 1 0.799 0.020 . 1 . . . . A 69 ILE HG21 . 34648 1 773 . 1 . 1 69 69 ILE HG22 H 1 0.799 0.020 . 1 . . . . A 69 ILE HG22 . 34648 1 774 . 1 . 1 69 69 ILE HG23 H 1 0.799 0.020 . 1 . . . . A 69 ILE HG23 . 34648 1 775 . 1 . 1 69 69 ILE HD11 H 1 0.660 0.020 . 1 . . . . A 69 ILE HD11 . 34648 1 776 . 1 . 1 69 69 ILE HD12 H 1 0.660 0.020 . 1 . . . . A 69 ILE HD12 . 34648 1 777 . 1 . 1 69 69 ILE HD13 H 1 0.660 0.020 . 1 . . . . A 69 ILE HD13 . 34648 1 778 . 1 . 1 69 69 ILE CA C 13 59.536 0.3 . 1 . . . . A 69 ILE CA . 34648 1 779 . 1 . 1 69 69 ILE CB C 13 36.945 0.3 . 1 . . . . A 69 ILE CB . 34648 1 780 . 1 . 1 69 69 ILE CG1 C 13 27.724 0.3 . 1 . . . . A 69 ILE CG1 . 34648 1 781 . 1 . 1 69 69 ILE CG2 C 13 15.744 0.3 . 1 . . . . A 69 ILE CG2 . 34648 1 782 . 1 . 1 69 69 ILE CD1 C 13 12.735 0.3 . 1 . . . . A 69 ILE CD1 . 34648 1 783 . 1 . 1 69 69 ILE N N 15 127.256 0.3 . 1 . . . . A 69 ILE N . 34648 1 784 . 1 . 1 70 70 PRO HA H 1 4.139 0.020 . 1 . . . . A 70 PRO HA . 34648 1 785 . 1 . 1 70 70 PRO HB2 H 1 1.845 0.020 . 2 . . . . A 70 PRO HB2 . 34648 1 786 . 1 . 1 70 70 PRO HB3 H 1 2.240 0.020 . 2 . . . . A 70 PRO HB3 . 34648 1 787 . 1 . 1 70 70 PRO HG2 H 1 1.901 0.020 . 2 . . . . A 70 PRO HG2 . 34648 1 788 . 1 . 1 70 70 PRO HG3 H 1 2.050 0.020 . 2 . . . . A 70 PRO HG3 . 34648 1 789 . 1 . 1 70 70 PRO HD2 H 1 3.555 0.020 . 2 . . . . A 70 PRO HD2 . 34648 1 790 . 1 . 1 70 70 PRO HD3 H 1 4.062 0.020 . 2 . . . . A 70 PRO HD3 . 34648 1 791 . 1 . 1 70 70 PRO C C 13 177.116 0.3 . 1 . . . . A 70 PRO C . 34648 1 792 . 1 . 1 70 70 PRO CA C 13 63.998 0.3 . 1 . . . . A 70 PRO CA . 34648 1 793 . 1 . 1 70 70 PRO CB C 13 31.763 0.3 . 1 . . . . A 70 PRO CB . 34648 1 794 . 1 . 1 70 70 PRO CG C 13 27.047 0.3 . 1 . . . . A 70 PRO CG . 34648 1 795 . 1 . 1 70 70 PRO CD C 13 51.100 0.3 . 1 . . . . A 70 PRO CD . 34648 1 796 . 1 . 1 71 71 GLY H H 1 8.716 0.020 . 1 . . . . A 71 GLY H . 34648 1 797 . 1 . 1 71 71 GLY HA2 H 1 3.664 0.020 . 2 . . . . A 71 GLY HA2 . 34648 1 798 . 1 . 1 71 71 GLY HA3 H 1 4.137 0.020 . 2 . . . . A 71 GLY HA3 . 34648 1 799 . 1 . 1 71 71 GLY C C 13 174.155 0.3 . 1 . . . . A 71 GLY C . 34648 1 800 . 1 . 1 71 71 GLY CA C 13 44.878 0.3 . 1 . . . . A 71 GLY CA . 34648 1 801 . 1 . 1 71 71 GLY N N 15 110.662 0.3 . 1 . . . . A 71 GLY N . 34648 1 802 . 1 . 1 72 72 THR H H 1 7.988 0.020 . 1 . . . . A 72 THR H . 34648 1 803 . 1 . 1 72 72 THR HA H 1 4.956 0.020 . 1 . . . . A 72 THR HA . 34648 1 804 . 1 . 1 72 72 THR HB H 1 4.241 0.020 . 1 . . . . A 72 THR HB . 34648 1 805 . 1 . 1 72 72 THR HG21 H 1 0.955 0.020 . 1 . . . . A 72 THR HG21 . 34648 1 806 . 1 . 1 72 72 THR HG22 H 1 0.955 0.020 . 1 . . . . A 72 THR HG22 . 34648 1 807 . 1 . 1 72 72 THR HG23 H 1 0.955 0.020 . 1 . . . . A 72 THR HG23 . 34648 1 808 . 1 . 1 72 72 THR C C 13 173.692 0.3 . 1 . . . . A 72 THR C . 34648 1 809 . 1 . 1 72 72 THR CA C 13 59.691 0.3 . 1 . . . . A 72 THR CA . 34648 1 810 . 1 . 1 72 72 THR CB C 13 72.650 0.3 . 1 . . . . A 72 THR CB . 34648 1 811 . 1 . 1 72 72 THR CG2 C 13 20.228 0.3 . 1 . . . . A 72 THR CG2 . 34648 1 812 . 1 . 1 72 72 THR N N 15 109.811 0.3 . 1 . . . . A 72 THR N . 34648 1 813 . 1 . 1 73 73 CYS H H 1 8.420 0.020 . 1 . . . . A 73 CYS H . 34648 1 814 . 1 . 1 73 73 CYS HA H 1 4.470 0.020 . 1 . . . . A 73 CYS HA . 34648 1 815 . 1 . 1 73 73 CYS HB2 H 1 3.822 0.020 . 1 . . . . A 73 CYS HB2 . 34648 1 816 . 1 . 1 73 73 CYS HB3 H 1 3.822 0.020 . 1 . . . . A 73 CYS HB3 . 34648 1 817 . 1 . 1 73 73 CYS C C 13 174.779 0.3 . 1 . . . . A 73 CYS C . 34648 1 818 . 1 . 1 73 73 CYS CA C 13 55.861 0.3 . 1 . . . . A 73 CYS CA . 34648 1 819 . 1 . 1 73 73 CYS CB C 13 44.004 0.3 . 1 . . . . A 73 CYS CB . 34648 1 820 . 1 . 1 73 73 CYS N N 15 114.754 0.3 . 1 . . . . A 73 CYS N . 34648 1 821 . 1 . 1 74 74 CYS H H 1 8.590 0.020 . 1 . . . . A 74 CYS H . 34648 1 822 . 1 . 1 74 74 CYS HA H 1 4.700 0.020 . 1 . . . . A 74 CYS HA . 34648 1 823 . 1 . 1 74 74 CYS HB2 H 1 2.606 0.020 . 2 . . . . A 74 CYS HB2 . 34648 1 824 . 1 . 1 74 74 CYS HB3 H 1 3.355 0.020 . 2 . . . . A 74 CYS HB3 . 34648 1 825 . 1 . 1 74 74 CYS C C 13 173.322 0.3 . 1 . . . . A 74 CYS C . 34648 1 826 . 1 . 1 74 74 CYS CA C 13 52.882 0.3 . 1 . . . . A 74 CYS CA . 34648 1 827 . 1 . 1 74 74 CYS CB C 13 38.161 0.3 . 1 . . . . A 74 CYS CB . 34648 1 828 . 1 . 1 74 74 CYS N N 15 122.172 0.3 . 1 . . . . A 74 CYS N . 34648 1 829 . 1 . 1 75 75 ASP H H 1 8.334 0.020 . 1 . . . . A 75 ASP H . 34648 1 830 . 1 . 1 75 75 ASP HA H 1 4.950 0.020 . 1 . . . . A 75 ASP HA . 34648 1 831 . 1 . 1 75 75 ASP HB2 H 1 1.615 0.020 . 2 . . . . A 75 ASP HB2 . 34648 1 832 . 1 . 1 75 75 ASP HB3 H 1 1.798 0.020 . 2 . . . . A 75 ASP HB3 . 34648 1 833 . 1 . 1 75 75 ASP C C 13 174.294 0.3 . 1 . . . . A 75 ASP C . 34648 1 834 . 1 . 1 75 75 ASP CA C 13 53.359 0.3 . 1 . . . . A 75 ASP CA . 34648 1 835 . 1 . 1 75 75 ASP CB C 13 41.651 0.3 . 1 . . . . A 75 ASP CB . 34648 1 836 . 1 . 1 75 75 ASP N N 15 122.154 0.3 . 1 . . . . A 75 ASP N . 34648 1 837 . 1 . 1 76 76 THR H H 1 8.683 0.020 . 1 . . . . A 76 THR H . 34648 1 838 . 1 . 1 76 76 THR HA H 1 3.985 0.020 . 1 . . . . A 76 THR HA . 34648 1 839 . 1 . 1 76 76 THR HB H 1 3.697 0.020 . 1 . . . . A 76 THR HB . 34648 1 840 . 1 . 1 76 76 THR HG21 H 1 0.826 0.020 . 1 . . . . A 76 THR HG21 . 34648 1 841 . 1 . 1 76 76 THR HG22 H 1 0.826 0.020 . 1 . . . . A 76 THR HG22 . 34648 1 842 . 1 . 1 76 76 THR HG23 H 1 0.826 0.020 . 1 . . . . A 76 THR HG23 . 34648 1 843 . 1 . 1 76 76 THR C C 13 170.291 0.3 . 1 . . . . A 76 THR C . 34648 1 844 . 1 . 1 76 76 THR CA C 13 59.342 0.3 . 1 . . . . A 76 THR CA . 34648 1 845 . 1 . 1 76 76 THR CB C 13 69.573 0.3 . 1 . . . . A 76 THR CB . 34648 1 846 . 1 . 1 76 76 THR CG2 C 13 18.891 0.3 . 1 . . . . A 76 THR CG2 . 34648 1 847 . 1 . 1 76 76 THR N N 15 113.573 0.3 . 1 . . . . A 76 THR N . 34648 1 848 . 1 . 1 77 77 CYS H H 1 8.076 0.020 . 1 . . . . A 77 CYS H . 34648 1 849 . 1 . 1 77 77 CYS HA H 1 5.351 0.020 . 1 . . . . A 77 CYS HA . 34648 1 850 . 1 . 1 77 77 CYS HB2 H 1 2.895 0.020 . 2 . . . . A 77 CYS HB2 . 34648 1 851 . 1 . 1 77 77 CYS HB3 H 1 3.229 0.020 . 2 . . . . A 77 CYS HB3 . 34648 1 852 . 1 . 1 77 77 CYS C C 13 174.039 0.3 . 1 . . . . A 77 CYS C . 34648 1 853 . 1 . 1 77 77 CYS CA C 13 54.313 0.3 . 1 . . . . A 77 CYS CA . 34648 1 854 . 1 . 1 77 77 CYS CB C 13 42.116 0.3 . 1 . . . . A 77 CYS CB . 34648 1 855 . 1 . 1 77 77 CYS N N 15 123.117 0.3 . 1 . . . . A 77 CYS N . 34648 1 856 . 1 . 1 78 78 GLU H H 1 9.424 0.020 . 1 . . . . A 78 GLU H . 34648 1 857 . 1 . 1 78 78 GLU CA C 13 56.984 0.3 . 1 . . . . A 78 GLU CA . 34648 1 858 . 1 . 1 78 78 GLU CB C 13 31.293 0.3 . 1 . . . . A 78 GLU CB . 34648 1 859 . 1 . 1 78 78 GLU N N 15 134.971 0.3 . 1 . . . . A 78 GLU N . 34648 1 stop_ save_