data_25778 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25778 _Entry.Title ; Chemical shift assignments and structure calculation of spider toxin U4-hexatoxin-Hi1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-28 _Entry.Accession_date 2015-08-28 _Entry.Last_release_date 2016-08-25 _Entry.Original_release_date 2016-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Sandy Pineda . S. . . 25778 2 Yanni Chin . K-Y . . 25778 3 Glenn King . F. . . 25778 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25778 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Inhibitor cystine knot' . 25778 'Spider toxin' . 25778 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25778 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 25778 '15N chemical shifts' 80 25778 '1H chemical shifts' 502 25778 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-08-25 . original BMRB . 25778 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N6R 'BMRB Entry Tracking System' 25778 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25778 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Single-gene recruitment underlies venom complexity in the Australian Funnel-web spider Hadronyche infensa ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nature Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sandy Pineda . S. . . 25778 1 2 Yanni Chin . K-Y . . 25778 1 3 Sebastian Senff . . . . 25778 1 4 Mehdi Mobli . . . . 25778 1 5 Pierre Escoubas . . . . 25778 1 6 Graham Nicholson . . . . 25778 1 7 Quentin Kass . . . . 25778 1 8 Bryan Fry . G. . . 25778 1 9 John Mattick . S. . . 25778 1 10 Glenn King . F. . . 25778 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25778 _Assembly.ID 1 _Assembly.Name 'spider toxin U4-hexatoxin-Hi1a' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'spider toxin U4-hexatoxin-Hi1a' 1 $U4-hexatoxin-Hi1a A . yes native no no . . . 25778 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_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_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 21 21 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . 25778 1 2 disulfide single . 1 . 1 CYS 28 28 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . 25778 1 3 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . 25778 1 4 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 25778 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U4-hexatoxin-Hi1a _Entity.Sf_category entity _Entity.Sf_framecode U4-hexatoxin-Hi1a _Entity.Entry_ID 25778 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name U4-hexatoxin-Hi1a _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 ; GTPSADQVRYNYTELPNGEY CYTPRRRCTSADQCCRPYDT TAAFHGCGRIWPKDKREKVD RCYICNNEKTLCTSVM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8821.980 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 25778 1 2 2 THR . 25778 1 3 3 PRO . 25778 1 4 4 SER . 25778 1 5 5 ALA . 25778 1 6 6 ASP . 25778 1 7 7 GLN . 25778 1 8 8 VAL . 25778 1 9 9 ARG . 25778 1 10 10 TYR . 25778 1 11 11 ASN . 25778 1 12 12 TYR . 25778 1 13 13 THR . 25778 1 14 14 GLU . 25778 1 15 15 LEU . 25778 1 16 16 PRO . 25778 1 17 17 ASN . 25778 1 18 18 GLY . 25778 1 19 19 GLU . 25778 1 20 20 TYR . 25778 1 21 21 CYS . 25778 1 22 22 TYR . 25778 1 23 23 THR . 25778 1 24 24 PRO . 25778 1 25 25 ARG . 25778 1 26 26 ARG . 25778 1 27 27 ARG . 25778 1 28 28 CYS . 25778 1 29 29 THR . 25778 1 30 30 SER . 25778 1 31 31 ALA . 25778 1 32 32 ASP . 25778 1 33 33 GLN . 25778 1 34 34 CYS . 25778 1 35 35 CYS . 25778 1 36 36 ARG . 25778 1 37 37 PRO . 25778 1 38 38 TYR . 25778 1 39 39 ASP . 25778 1 40 40 THR . 25778 1 41 41 THR . 25778 1 42 42 ALA . 25778 1 43 43 ALA . 25778 1 44 44 PHE . 25778 1 45 45 HIS . 25778 1 46 46 GLY . 25778 1 47 47 CYS . 25778 1 48 48 GLY . 25778 1 49 49 ARG . 25778 1 50 50 ILE . 25778 1 51 51 TRP . 25778 1 52 52 PRO . 25778 1 53 53 LYS . 25778 1 54 54 ASP . 25778 1 55 55 LYS . 25778 1 56 56 ARG . 25778 1 57 57 GLU . 25778 1 58 58 LYS . 25778 1 59 59 VAL . 25778 1 60 60 ASP . 25778 1 61 61 ARG . 25778 1 62 62 CYS . 25778 1 63 63 TYR . 25778 1 64 64 ILE . 25778 1 65 65 CYS . 25778 1 66 66 ASN . 25778 1 67 67 ASN . 25778 1 68 68 GLU . 25778 1 69 69 LYS . 25778 1 70 70 THR . 25778 1 71 71 LEU . 25778 1 72 72 CYS . 25778 1 73 73 THR . 25778 1 74 74 SER . 25778 1 75 75 VAL . 25778 1 76 76 MET . 25778 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 25778 1 . THR 2 2 25778 1 . PRO 3 3 25778 1 . SER 4 4 25778 1 . ALA 5 5 25778 1 . ASP 6 6 25778 1 . GLN 7 7 25778 1 . VAL 8 8 25778 1 . ARG 9 9 25778 1 . TYR 10 10 25778 1 . ASN 11 11 25778 1 . TYR 12 12 25778 1 . THR 13 13 25778 1 . GLU 14 14 25778 1 . LEU 15 15 25778 1 . PRO 16 16 25778 1 . ASN 17 17 25778 1 . GLY 18 18 25778 1 . GLU 19 19 25778 1 . TYR 20 20 25778 1 . CYS 21 21 25778 1 . TYR 22 22 25778 1 . THR 23 23 25778 1 . PRO 24 24 25778 1 . ARG 25 25 25778 1 . ARG 26 26 25778 1 . ARG 27 27 25778 1 . CYS 28 28 25778 1 . THR 29 29 25778 1 . SER 30 30 25778 1 . ALA 31 31 25778 1 . ASP 32 32 25778 1 . GLN 33 33 25778 1 . CYS 34 34 25778 1 . CYS 35 35 25778 1 . ARG 36 36 25778 1 . PRO 37 37 25778 1 . TYR 38 38 25778 1 . ASP 39 39 25778 1 . THR 40 40 25778 1 . THR 41 41 25778 1 . ALA 42 42 25778 1 . ALA 43 43 25778 1 . PHE 44 44 25778 1 . HIS 45 45 25778 1 . GLY 46 46 25778 1 . CYS 47 47 25778 1 . GLY 48 48 25778 1 . ARG 49 49 25778 1 . ILE 50 50 25778 1 . TRP 51 51 25778 1 . PRO 52 52 25778 1 . LYS 53 53 25778 1 . ASP 54 54 25778 1 . LYS 55 55 25778 1 . ARG 56 56 25778 1 . GLU 57 57 25778 1 . LYS 58 58 25778 1 . VAL 59 59 25778 1 . ASP 60 60 25778 1 . ARG 61 61 25778 1 . CYS 62 62 25778 1 . TYR 63 63 25778 1 . ILE 64 64 25778 1 . CYS 65 65 25778 1 . ASN 66 66 25778 1 . ASN 67 67 25778 1 . GLU 68 68 25778 1 . LYS 69 69 25778 1 . THR 70 70 25778 1 . LEU 71 71 25778 1 . CYS 72 72 25778 1 . THR 73 73 25778 1 . SER 74 74 25778 1 . VAL 75 75 25778 1 . MET 76 76 25778 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 25778 _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 $U4-hexatoxin-Hi1a . 153481 organism . 'Hadronyche infensa' spiders . . Eukaryota Metazoa Hadronyche infensa . . . . . . . . . . . . . 25778 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 25778 _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 $U4-hexatoxin-Hi1a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pLICC vector' . . . 25778 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25778 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 U4-hexatoxin-Hi1a '[U-99% 13C; U-99% 15N]' . . 1 $U4-hexatoxin-Hi1a . . 300 . . uM . . . . 25778 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25778 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 25778 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 25778 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25778 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25778 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 25778 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 25778 1 pressure 1 . atm 25778 1 temperature 298 . K 25778 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25778 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25778 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25778 1 processing 25778 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25778 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25778 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25778 2 stop_ save_ save_Rowland_NMR_Toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_Toolkit _Software.Entry_ID 25778 _Software.ID 3 _Software.Name Rowland_NMR_Toolkit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoch JC' . . 25778 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing NUS data' 25778 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25778 _Software.ID 4 _Software.Name TALOS _Software.Version talos+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25778 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle prediction' 25778 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25778 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25778 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 25778 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25778 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II+' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25778 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance II+' . 900 . . . 25778 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 25778 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 9 '4D HCC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25778 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25778 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25778 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25778 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25778 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25778 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25778 1 2 '2D 1H-13C HSQC' . . . 25778 1 3 '3D CBCA(CO)NH' . . . 25778 1 4 '3D HNCO' . . . 25778 1 5 '3D HNCACB' . . . 25778 1 6 '3D 1H-15N NOESY' . . . 25778 1 7 '3D 1H-13C NOESY aliphatic' . . . 25778 1 8 '3D 1H-13C NOESY aromatic' . . . 25778 1 9 '4D HCC(CO)NH-TOCSY' . . . 25778 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.894 0.02 . 2 . . . A 1 GLY HA2 . 25778 1 2 . 1 1 1 1 GLY HA3 H 1 3.894 0.02 . 2 . . . A 1 GLY HA3 . 25778 1 3 . 1 1 1 1 GLY C C 13 170.115 0.3 . 1 . . . A 1 GLY C . 25778 1 4 . 1 1 1 1 GLY CA C 13 43.281 0.3 . 1 . . . A 1 GLY CA . 25778 1 5 . 1 1 2 2 THR H H 1 8.589 0.02 . 1 . . . A 2 THR H . 25778 1 6 . 1 1 2 2 THR HA H 1 4.647 0.02 . 1 . . . A 2 THR HA . 25778 1 7 . 1 1 2 2 THR HB H 1 4.138 0.02 . 1 . . . A 2 THR HB . 25778 1 8 . 1 1 2 2 THR HG21 H 1 1.294 0.02 . 1 . . . A 2 THR HG21 . 25778 1 9 . 1 1 2 2 THR HG22 H 1 1.294 0.02 . 1 . . . A 2 THR HG22 . 25778 1 10 . 1 1 2 2 THR HG23 H 1 1.294 0.02 . 1 . . . A 2 THR HG23 . 25778 1 11 . 1 1 2 2 THR CA C 13 60.100 0.3 . 1 . . . A 2 THR CA . 25778 1 12 . 1 1 2 2 THR CB C 13 69.896 0.3 . 1 . . . A 2 THR CB . 25778 1 13 . 1 1 2 2 THR CG2 C 13 21.675 0.3 . 1 . . . A 2 THR CG2 . 25778 1 14 . 1 1 2 2 THR N N 15 117.088 0.2 . 1 . . . A 2 THR N . 25778 1 15 . 1 1 3 3 PRO HA H 1 4.491 0.02 . 1 . . . A 3 PRO HA . 25778 1 16 . 1 1 3 3 PRO HB2 H 1 2.231 0.02 . 2 . . . A 3 PRO HB2 . 25778 1 17 . 1 1 3 3 PRO HB3 H 1 1.876 0.02 . 2 . . . A 3 PRO HB3 . 25778 1 18 . 1 1 3 3 PRO HG2 H 1 2.011 0.02 . 2 . . . A 3 PRO HG2 . 25778 1 19 . 1 1 3 3 PRO HG3 H 1 1.964 0.02 . 2 . . . A 3 PRO HG3 . 25778 1 20 . 1 1 3 3 PRO HD2 H 1 3.889 0.02 . 2 . . . A 3 PRO HD2 . 25778 1 21 . 1 1 3 3 PRO HD3 H 1 3.736 0.02 . 2 . . . A 3 PRO HD3 . 25778 1 22 . 1 1 3 3 PRO C C 13 176.612 0.3 . 1 . . . A 3 PRO C . 25778 1 23 . 1 1 3 3 PRO CA C 13 63.242 0.3 . 1 . . . A 3 PRO CA . 25778 1 24 . 1 1 3 3 PRO CB C 13 32.265 0.3 . 1 . . . A 3 PRO CB . 25778 1 25 . 1 1 3 3 PRO CG C 13 27.429 0.3 . 1 . . . A 3 PRO CG . 25778 1 26 . 1 1 3 3 PRO CD C 13 51.058 0.3 . 1 . . . A 3 PRO CD . 25778 1 27 . 1 1 4 4 SER H H 1 8.221 0.02 . 1 . . . A 4 SER H . 25778 1 28 . 1 1 4 4 SER HA H 1 4.462 0.02 . 1 . . . A 4 SER HA . 25778 1 29 . 1 1 4 4 SER HB2 H 1 3.944 0.02 . 2 . . . A 4 SER HB2 . 25778 1 30 . 1 1 4 4 SER HB3 H 1 3.819 0.02 . 2 . . . A 4 SER HB3 . 25778 1 31 . 1 1 4 4 SER C C 13 174.858 0.3 . 1 . . . A 4 SER C . 25778 1 32 . 1 1 4 4 SER CA C 13 58.094 0.3 . 1 . . . A 4 SER CA . 25778 1 33 . 1 1 4 4 SER CB C 13 64.309 0.3 . 1 . . . A 4 SER CB . 25778 1 34 . 1 1 4 4 SER N N 15 115.809 0.2 . 1 . . . A 4 SER N . 25778 1 35 . 1 1 5 5 ALA H H 1 8.586 0.02 . 1 . . . A 5 ALA H . 25778 1 36 . 1 1 5 5 ALA HA H 1 4.222 0.02 . 1 . . . A 5 ALA HA . 25778 1 37 . 1 1 5 5 ALA HB1 H 1 1.408 0.02 . 1 . . . A 5 ALA HB1 . 25778 1 38 . 1 1 5 5 ALA HB2 H 1 1.408 0.02 . 1 . . . A 5 ALA HB2 . 25778 1 39 . 1 1 5 5 ALA HB3 H 1 1.408 0.02 . 1 . . . A 5 ALA HB3 . 25778 1 40 . 1 1 5 5 ALA C C 13 178.703 0.3 . 1 . . . A 5 ALA C . 25778 1 41 . 1 1 5 5 ALA CA C 13 53.717 0.3 . 1 . . . A 5 ALA CA . 25778 1 42 . 1 1 5 5 ALA CB C 13 18.682 0.3 . 1 . . . A 5 ALA CB . 25778 1 43 . 1 1 5 5 ALA N N 15 125.967 0.2 . 1 . . . A 5 ALA N . 25778 1 44 . 1 1 6 6 ASP H H 1 8.241 0.02 . 1 . . . A 6 ASP H . 25778 1 45 . 1 1 6 6 ASP HA H 1 4.389 0.02 . 1 . . . A 6 ASP HA . 25778 1 46 . 1 1 6 6 ASP HB2 H 1 2.634 0.02 . 2 . . . A 6 ASP HB2 . 25778 1 47 . 1 1 6 6 ASP HB3 H 1 2.600 0.02 . 2 . . . A 6 ASP HB3 . 25778 1 48 . 1 1 6 6 ASP C C 13 177.831 0.3 . 1 . . . A 6 ASP C . 25778 1 49 . 1 1 6 6 ASP CA C 13 55.739 0.3 . 1 . . . A 6 ASP CA . 25778 1 50 . 1 1 6 6 ASP CB C 13 40.830 0.3 . 1 . . . A 6 ASP CB . 25778 1 51 . 1 1 6 6 ASP N N 15 118.445 0.2 . 1 . . . A 6 ASP N . 25778 1 52 . 1 1 7 7 GLN H H 1 8.210 0.02 . 1 . . . A 7 GLN H . 25778 1 53 . 1 1 7 7 GLN HA H 1 4.212 0.02 . 1 . . . A 7 GLN HA . 25778 1 54 . 1 1 7 7 GLN HB2 H 1 2.211 0.02 . 2 . . . A 7 GLN HB2 . 25778 1 55 . 1 1 7 7 GLN HB3 H 1 2.111 0.02 . 2 . . . A 7 GLN HB3 . 25778 1 56 . 1 1 7 7 GLN HG2 H 1 2.583 0.02 . 2 . . . A 7 GLN HG2 . 25778 1 57 . 1 1 7 7 GLN HG3 H 1 2.433 0.02 . 2 . . . A 7 GLN HG3 . 25778 1 58 . 1 1 7 7 GLN HE21 H 1 7.594 0.02 . 2 . . . A 7 GLN HE21 . 25778 1 59 . 1 1 7 7 GLN HE22 H 1 6.989 0.02 . 2 . . . A 7 GLN HE22 . 25778 1 60 . 1 1 7 7 GLN C C 13 176.776 0.3 . 1 . . . A 7 GLN C . 25778 1 61 . 1 1 7 7 GLN CA C 13 58.131 0.3 . 1 . . . A 7 GLN CA . 25778 1 62 . 1 1 7 7 GLN CB C 13 29.842 0.3 . 1 . . . A 7 GLN CB . 25778 1 63 . 1 1 7 7 GLN CG C 13 34.858 0.3 . 1 . . . A 7 GLN CG . 25778 1 64 . 1 1 7 7 GLN N N 15 117.860 0.2 . 1 . . . A 7 GLN N . 25778 1 65 . 1 1 7 7 GLN NE2 N 15 112.164 0.2 . 1 . . . A 7 GLN NE2 . 25778 1 66 . 1 1 8 8 VAL H H 1 7.275 0.02 . 1 . . . A 8 VAL H . 25778 1 67 . 1 1 8 8 VAL HA H 1 4.378 0.02 . 1 . . . A 8 VAL HA . 25778 1 68 . 1 1 8 8 VAL HB H 1 2.302 0.02 . 1 . . . A 8 VAL HB . 25778 1 69 . 1 1 8 8 VAL HG11 H 1 0.815 0.02 . 2 . . . A 8 VAL HG11 . 25778 1 70 . 1 1 8 8 VAL HG12 H 1 0.815 0.02 . 2 . . . A 8 VAL HG12 . 25778 1 71 . 1 1 8 8 VAL HG13 H 1 0.815 0.02 . 2 . . . A 8 VAL HG13 . 25778 1 72 . 1 1 8 8 VAL HG21 H 1 0.712 0.02 . 2 . . . A 8 VAL HG21 . 25778 1 73 . 1 1 8 8 VAL HG22 H 1 0.712 0.02 . 2 . . . A 8 VAL HG22 . 25778 1 74 . 1 1 8 8 VAL HG23 H 1 0.712 0.02 . 2 . . . A 8 VAL HG23 . 25778 1 75 . 1 1 8 8 VAL C C 13 174.825 0.3 . 1 . . . A 8 VAL C . 25778 1 76 . 1 1 8 8 VAL CA C 13 59.994 0.3 . 1 . . . A 8 VAL CA . 25778 1 77 . 1 1 8 8 VAL CB C 13 30.694 0.3 . 1 . . . A 8 VAL CB . 25778 1 78 . 1 1 8 8 VAL CG1 C 13 18.887 0.3 . 2 . . . A 8 VAL CG1 . 25778 1 79 . 1 1 8 8 VAL CG2 C 13 22.009 0.3 . 2 . . . A 8 VAL CG2 . 25778 1 80 . 1 1 8 8 VAL N N 15 108.579 0.2 . 1 . . . A 8 VAL N . 25778 1 81 . 1 1 9 9 ARG H H 1 7.196 0.02 . 1 . . . A 9 ARG H . 25778 1 82 . 1 1 9 9 ARG HA H 1 4.185 0.02 . 1 . . . A 9 ARG HA . 25778 1 83 . 1 1 9 9 ARG HB2 H 1 1.753 0.02 . 2 . . . A 9 ARG HB2 . 25778 1 84 . 1 1 9 9 ARG HB3 H 1 1.705 0.02 . 2 . . . A 9 ARG HB3 . 25778 1 85 . 1 1 9 9 ARG HG2 H 1 1.541 0.02 . 2 . . . A 9 ARG HG2 . 25778 1 86 . 1 1 9 9 ARG HG3 H 1 1.710 0.02 . 2 . . . A 9 ARG HG3 . 25778 1 87 . 1 1 9 9 ARG HD2 H 1 2.953 0.02 . 2 . . . A 9 ARG HD2 . 25778 1 88 . 1 1 9 9 ARG HD3 H 1 2.866 0.02 . 2 . . . A 9 ARG HD3 . 25778 1 89 . 1 1 9 9 ARG HE H 1 6.980 0.02 . 1 . . . A 9 ARG HE . 25778 1 90 . 1 1 9 9 ARG C C 13 176.196 0.3 . 1 . . . A 9 ARG C . 25778 1 91 . 1 1 9 9 ARG CA C 13 57.023 0.3 . 1 . . . A 9 ARG CA . 25778 1 92 . 1 1 9 9 ARG CB C 13 31.469 0.3 . 1 . . . A 9 ARG CB . 25778 1 93 . 1 1 9 9 ARG CG C 13 27.174 0.3 . 1 . . . A 9 ARG CG . 25778 1 94 . 1 1 9 9 ARG CD C 13 43.647 0.3 . 1 . . . A 9 ARG CD . 25778 1 95 . 1 1 9 9 ARG N N 15 121.186 0.2 . 1 . . . A 9 ARG N . 25778 1 96 . 1 1 9 9 ARG NE N 15 83.558 0.2 . 1 . . . A 9 ARG NE . 25778 1 97 . 1 1 10 10 TYR H H 1 7.599 0.02 . 1 . . . A 10 TYR H . 25778 1 98 . 1 1 10 10 TYR HA H 1 5.083 0.02 . 1 . . . A 10 TYR HA . 25778 1 99 . 1 1 10 10 TYR HB2 H 1 2.672 0.02 . 2 . . . A 10 TYR HB2 . 25778 1 100 . 1 1 10 10 TYR HB3 H 1 2.562 0.02 . 2 . . . A 10 TYR HB3 . 25778 1 101 . 1 1 10 10 TYR HD1 H 1 6.887 0.02 . 3 . . . A 10 TYR HD1 . 25778 1 102 . 1 1 10 10 TYR HD2 H 1 6.887 0.02 . 3 . . . A 10 TYR HD2 . 25778 1 103 . 1 1 10 10 TYR HE1 H 1 6.772 0.02 . 3 . . . A 10 TYR HE1 . 25778 1 104 . 1 1 10 10 TYR HE2 H 1 6.772 0.02 . 3 . . . A 10 TYR HE2 . 25778 1 105 . 1 1 10 10 TYR C C 13 173.055 0.3 . 1 . . . A 10 TYR C . 25778 1 106 . 1 1 10 10 TYR CA C 13 54.637 0.3 . 1 . . . A 10 TYR CA . 25778 1 107 . 1 1 10 10 TYR CB C 13 41.175 0.3 . 1 . . . A 10 TYR CB . 25778 1 108 . 1 1 10 10 TYR CD1 C 13 133.816 0.3 . 1 . . . A 10 TYR CD1 . 25778 1 109 . 1 1 10 10 TYR CD2 C 13 133.816 0.3 . 1 . . . A 10 TYR CD2 . 25778 1 110 . 1 1 10 10 TYR CE1 C 13 118.474 0.3 . 1 . . . A 10 TYR CE1 . 25778 1 111 . 1 1 10 10 TYR CE2 C 13 118.474 0.3 . 1 . . . A 10 TYR CE2 . 25778 1 112 . 1 1 10 10 TYR N N 15 119.087 0.2 . 1 . . . A 10 TYR N . 25778 1 113 . 1 1 11 11 ASN H H 1 8.605 0.02 . 1 . . . A 11 ASN H . 25778 1 114 . 1 1 11 11 ASN HA H 1 4.760 0.02 . 1 . . . A 11 ASN HA . 25778 1 115 . 1 1 11 11 ASN HB2 H 1 2.710 0.02 . 2 . . . A 11 ASN HB2 . 25778 1 116 . 1 1 11 11 ASN HB3 H 1 2.053 0.02 . 2 . . . A 11 ASN HB3 . 25778 1 117 . 1 1 11 11 ASN HD21 H 1 7.368 0.02 . 2 . . . A 11 ASN HD21 . 25778 1 118 . 1 1 11 11 ASN HD22 H 1 6.885 0.02 . 2 . . . A 11 ASN HD22 . 25778 1 119 . 1 1 11 11 ASN C C 13 174.212 0.3 . 1 . . . A 11 ASN C . 25778 1 120 . 1 1 11 11 ASN CB C 13 39.171 0.3 . 1 . . . A 11 ASN CB . 25778 1 121 . 1 1 11 11 ASN N N 15 118.812 0.2 . 1 . . . A 11 ASN N . 25778 1 122 . 1 1 11 11 ASN ND2 N 15 110.448 0.2 . 1 . . . A 11 ASN ND2 . 25778 1 123 . 1 1 12 12 TYR H H 1 9.064 0.02 . 1 . . . A 12 TYR H . 25778 1 124 . 1 1 12 12 TYR HA H 1 4.892 0.02 . 1 . . . A 12 TYR HA . 25778 1 125 . 1 1 12 12 TYR HB2 H 1 3.309 0.02 . 2 . . . A 12 TYR HB2 . 25778 1 126 . 1 1 12 12 TYR HB3 H 1 2.945 0.02 . 2 . . . A 12 TYR HB3 . 25778 1 127 . 1 1 12 12 TYR HD1 H 1 7.224 0.02 . 3 . . . A 12 TYR HD1 . 25778 1 128 . 1 1 12 12 TYR HD2 H 1 7.224 0.02 . 3 . . . A 12 TYR HD2 . 25778 1 129 . 1 1 12 12 TYR HE1 H 1 6.642 0.02 . 3 . . . A 12 TYR HE1 . 25778 1 130 . 1 1 12 12 TYR HE2 H 1 6.642 0.02 . 3 . . . A 12 TYR HE2 . 25778 1 131 . 1 1 12 12 TYR C C 13 173.280 0.3 . 1 . . . A 12 TYR C . 25778 1 132 . 1 1 12 12 TYR CA C 13 57.951 0.3 . 1 . . . A 12 TYR CA . 25778 1 133 . 1 1 12 12 TYR CB C 13 38.465 0.3 . 1 . . . A 12 TYR CB . 25778 1 134 . 1 1 12 12 TYR CD1 C 13 132.753 0.3 . 1 . . . A 12 TYR CD1 . 25778 1 135 . 1 1 12 12 TYR CD2 C 13 132.753 0.3 . 1 . . . A 12 TYR CD2 . 25778 1 136 . 1 1 12 12 TYR CE1 C 13 118.668 0.3 . 1 . . . A 12 TYR CE1 . 25778 1 137 . 1 1 12 12 TYR CE2 C 13 118.668 0.3 . 1 . . . A 12 TYR CE2 . 25778 1 138 . 1 1 12 12 TYR N N 15 130.156 0.2 . 1 . . . A 12 TYR N . 25778 1 139 . 1 1 13 13 THR H H 1 7.546 0.02 . 1 . . . A 13 THR H . 25778 1 140 . 1 1 13 13 THR HA H 1 4.554 0.02 . 1 . . . A 13 THR HA . 25778 1 141 . 1 1 13 13 THR HB H 1 4.007 0.02 . 1 . . . A 13 THR HB . 25778 1 142 . 1 1 13 13 THR HG21 H 1 0.978 0.02 . 1 . . . A 13 THR HG21 . 25778 1 143 . 1 1 13 13 THR HG22 H 1 0.978 0.02 . 1 . . . A 13 THR HG22 . 25778 1 144 . 1 1 13 13 THR HG23 H 1 0.978 0.02 . 1 . . . A 13 THR HG23 . 25778 1 145 . 1 1 13 13 THR C C 13 172.136 0.3 . 1 . . . A 13 THR C . 25778 1 146 . 1 1 13 13 THR CA C 13 60.106 0.3 . 1 . . . A 13 THR CA . 25778 1 147 . 1 1 13 13 THR CB C 13 70.333 0.3 . 1 . . . A 13 THR CB . 25778 1 148 . 1 1 13 13 THR CG2 C 13 19.616 0.3 . 1 . . . A 13 THR CG2 . 25778 1 149 . 1 1 13 13 THR N N 15 122.015 0.2 . 1 . . . A 13 THR N . 25778 1 150 . 1 1 14 14 GLU H H 1 8.347 0.02 . 1 . . . A 14 GLU H . 25778 1 151 . 1 1 14 14 GLU HA H 1 3.777 0.02 . 1 . . . A 14 GLU HA . 25778 1 152 . 1 1 14 14 GLU HB2 H 1 1.621 0.02 . 2 . . . A 14 GLU HB2 . 25778 1 153 . 1 1 14 14 GLU HB3 H 1 1.549 0.02 . 2 . . . A 14 GLU HB3 . 25778 1 154 . 1 1 14 14 GLU HG2 H 1 1.719 0.02 . 2 . . . A 14 GLU HG2 . 25778 1 155 . 1 1 14 14 GLU HG3 H 1 1.405 0.02 . 2 . . . A 14 GLU HG3 . 25778 1 156 . 1 1 14 14 GLU C C 13 177.329 0.3 . 1 . . . A 14 GLU C . 25778 1 157 . 1 1 14 14 GLU CA C 13 57.385 0.3 . 1 . . . A 14 GLU CA . 25778 1 158 . 1 1 14 14 GLU CB C 13 30.200 0.3 . 1 . . . A 14 GLU CB . 25778 1 159 . 1 1 14 14 GLU CG C 13 35.646 0.3 . 1 . . . A 14 GLU CG . 25778 1 160 . 1 1 14 14 GLU N N 15 122.711 0.2 . 1 . . . A 14 GLU N . 25778 1 161 . 1 1 15 15 LEU H H 1 9.075 0.02 . 1 . . . A 15 LEU H . 25778 1 162 . 1 1 15 15 LEU HA H 1 4.465 0.02 . 1 . . . A 15 LEU HA . 25778 1 163 . 1 1 15 15 LEU HB2 H 1 2.049 0.02 . 2 . . . A 15 LEU HB2 . 25778 1 164 . 1 1 15 15 LEU HB3 H 1 1.451 0.02 . 2 . . . A 15 LEU HB3 . 25778 1 165 . 1 1 15 15 LEU HG H 1 1.452 0.02 . 1 . . . A 15 LEU HG . 25778 1 166 . 1 1 15 15 LEU HD11 H 1 0.849 0.02 . 2 . . . A 15 LEU HD11 . 25778 1 167 . 1 1 15 15 LEU HD12 H 1 0.849 0.02 . 2 . . . A 15 LEU HD12 . 25778 1 168 . 1 1 15 15 LEU HD13 H 1 0.849 0.02 . 2 . . . A 15 LEU HD13 . 25778 1 169 . 1 1 15 15 LEU HD21 H 1 0.845 0.02 . 2 . . . A 15 LEU HD21 . 25778 1 170 . 1 1 15 15 LEU HD22 H 1 0.845 0.02 . 2 . . . A 15 LEU HD22 . 25778 1 171 . 1 1 15 15 LEU HD23 H 1 0.845 0.02 . 2 . . . A 15 LEU HD23 . 25778 1 172 . 1 1 15 15 LEU CA C 13 53.561 0.3 . 1 . . . A 15 LEU CA . 25778 1 173 . 1 1 15 15 LEU CB C 13 40.371 0.3 . 1 . . . A 15 LEU CB . 25778 1 174 . 1 1 15 15 LEU CG C 13 27.193 0.3 . 1 . . . A 15 LEU CG . 25778 1 175 . 1 1 15 15 LEU CD1 C 13 25.323 0.3 . 2 . . . A 15 LEU CD1 . 25778 1 176 . 1 1 15 15 LEU CD2 C 13 25.318 0.3 . 2 . . . A 15 LEU CD2 . 25778 1 177 . 1 1 15 15 LEU N N 15 124.320 0.2 . 1 . . . A 15 LEU N . 25778 1 178 . 1 1 16 16 PRO HA H 1 4.256 0.02 . 1 . . . A 16 PRO HA . 25778 1 179 . 1 1 16 16 PRO HB2 H 1 2.363 0.02 . 2 . . . A 16 PRO HB2 . 25778 1 180 . 1 1 16 16 PRO HB3 H 1 1.846 0.02 . 2 . . . A 16 PRO HB3 . 25778 1 181 . 1 1 16 16 PRO HG2 H 1 2.074 0.02 . 2 . . . A 16 PRO HG2 . 25778 1 182 . 1 1 16 16 PRO HG3 H 1 1.958 0.02 . 2 . . . A 16 PRO HG3 . 25778 1 183 . 1 1 16 16 PRO HD2 H 1 3.770 0.02 . 2 . . . A 16 PRO HD2 . 25778 1 184 . 1 1 16 16 PRO HD3 H 1 3.709 0.02 . 2 . . . A 16 PRO HD3 . 25778 1 185 . 1 1 16 16 PRO C C 13 176.513 0.3 . 1 . . . A 16 PRO C . 25778 1 186 . 1 1 16 16 PRO CA C 13 65.263 0.3 . 1 . . . A 16 PRO CA . 25778 1 187 . 1 1 16 16 PRO CB C 13 31.678 0.3 . 1 . . . A 16 PRO CB . 25778 1 188 . 1 1 16 16 PRO CG C 13 27.765 0.3 . 1 . . . A 16 PRO CG . 25778 1 189 . 1 1 16 16 PRO CD C 13 50.636 0.3 . 1 . . . A 16 PRO CD . 25778 1 190 . 1 1 17 17 ASN H H 1 7.424 0.02 . 1 . . . A 17 ASN H . 25778 1 191 . 1 1 17 17 ASN HA H 1 4.544 0.02 . 1 . . . A 17 ASN HA . 25778 1 192 . 1 1 17 17 ASN HB2 H 1 3.191 0.02 . 2 . . . A 17 ASN HB2 . 25778 1 193 . 1 1 17 17 ASN HB3 H 1 2.733 0.02 . 2 . . . A 17 ASN HB3 . 25778 1 194 . 1 1 17 17 ASN HD21 H 1 7.269 0.02 . 2 . . . A 17 ASN HD21 . 25778 1 195 . 1 1 17 17 ASN HD22 H 1 7.024 0.02 . 2 . . . A 17 ASN HD22 . 25778 1 196 . 1 1 17 17 ASN C C 13 176.680 0.3 . 1 . . . A 17 ASN C . 25778 1 197 . 1 1 17 17 ASN CA C 13 52.734 0.3 . 1 . . . A 17 ASN CA . 25778 1 198 . 1 1 17 17 ASN CB C 13 37.357 0.3 . 1 . . . A 17 ASN CB . 25778 1 199 . 1 1 17 17 ASN N N 15 112.004 0.2 . 1 . . . A 17 ASN N . 25778 1 200 . 1 1 17 17 ASN ND2 N 15 108.841 0.2 . 1 . . . A 17 ASN ND2 . 25778 1 201 . 1 1 18 18 GLY H H 1 8.209 0.02 . 1 . . . A 18 GLY H . 25778 1 202 . 1 1 18 18 GLY HA2 H 1 4.240 0.02 . 2 . . . A 18 GLY HA2 . 25778 1 203 . 1 1 18 18 GLY HA3 H 1 3.578 0.02 . 2 . . . A 18 GLY HA3 . 25778 1 204 . 1 1 18 18 GLY C C 13 174.170 0.3 . 1 . . . A 18 GLY C . 25778 1 205 . 1 1 18 18 GLY CA C 13 45.189 0.3 . 1 . . . A 18 GLY CA . 25778 1 206 . 1 1 18 18 GLY N N 15 108.662 0.2 . 1 . . . A 18 GLY N . 25778 1 207 . 1 1 19 19 GLU H H 1 7.613 0.02 . 1 . . . A 19 GLU H . 25778 1 208 . 1 1 19 19 GLU HA H 1 4.478 0.02 . 1 . . . A 19 GLU HA . 25778 1 209 . 1 1 19 19 GLU HB2 H 1 2.160 0.02 . 2 . . . A 19 GLU HB2 . 25778 1 210 . 1 1 19 19 GLU HB3 H 1 2.138 0.02 . 2 . . . A 19 GLU HB3 . 25778 1 211 . 1 1 19 19 GLU HG2 H 1 2.325 0.02 . 2 . . . A 19 GLU HG2 . 25778 1 212 . 1 1 19 19 GLU HG3 H 1 2.273 0.02 . 2 . . . A 19 GLU HG3 . 25778 1 213 . 1 1 19 19 GLU C C 13 176.133 0.3 . 1 . . . A 19 GLU C . 25778 1 214 . 1 1 19 19 GLU CA C 13 55.160 0.3 . 1 . . . A 19 GLU CA . 25778 1 215 . 1 1 19 19 GLU CB C 13 31.300 0.3 . 1 . . . A 19 GLU CB . 25778 1 216 . 1 1 19 19 GLU CG C 13 36.522 0.3 . 1 . . . A 19 GLU CG . 25778 1 217 . 1 1 19 19 GLU N N 15 119.752 0.2 . 1 . . . A 19 GLU N . 25778 1 218 . 1 1 20 20 TYR H H 1 8.691 0.02 . 1 . . . A 20 TYR H . 25778 1 219 . 1 1 20 20 TYR HA H 1 4.203 0.02 . 1 . . . A 20 TYR HA . 25778 1 220 . 1 1 20 20 TYR HB2 H 1 2.815 0.02 . 2 . . . A 20 TYR HB2 . 25778 1 221 . 1 1 20 20 TYR HB3 H 1 2.815 0.02 . 2 . . . A 20 TYR HB3 . 25778 1 222 . 1 1 20 20 TYR HD1 H 1 6.467 0.02 . 3 . . . A 20 TYR HD1 . 25778 1 223 . 1 1 20 20 TYR HD2 H 1 6.467 0.02 . 3 . . . A 20 TYR HD2 . 25778 1 224 . 1 1 20 20 TYR HE1 H 1 6.616 0.02 . 3 . . . A 20 TYR HE1 . 25778 1 225 . 1 1 20 20 TYR HE2 H 1 6.616 0.02 . 3 . . . A 20 TYR HE2 . 25778 1 226 . 1 1 20 20 TYR C C 13 176.660 0.3 . 1 . . . A 20 TYR C . 25778 1 227 . 1 1 20 20 TYR CA C 13 61.120 0.3 . 1 . . . A 20 TYR CA . 25778 1 228 . 1 1 20 20 TYR CB C 13 39.115 0.3 . 1 . . . A 20 TYR CB . 25778 1 229 . 1 1 20 20 TYR CD1 C 13 132.118 0.3 . 1 . . . A 20 TYR CD1 . 25778 1 230 . 1 1 20 20 TYR CD2 C 13 132.118 0.3 . 1 . . . A 20 TYR CD2 . 25778 1 231 . 1 1 20 20 TYR CE1 C 13 118.085 0.3 . 1 . . . A 20 TYR CE1 . 25778 1 232 . 1 1 20 20 TYR CE2 C 13 118.085 0.3 . 1 . . . A 20 TYR CE2 . 25778 1 233 . 1 1 20 20 TYR N N 15 120.277 0.2 . 1 . . . A 20 TYR N . 25778 1 234 . 1 1 21 21 CYS H H 1 8.051 0.02 . 1 . . . A 21 CYS H . 25778 1 235 . 1 1 21 21 CYS HA H 1 4.441 0.02 . 1 . . . A 21 CYS HA . 25778 1 236 . 1 1 21 21 CYS HB2 H 1 3.244 0.02 . 2 . . . A 21 CYS HB2 . 25778 1 237 . 1 1 21 21 CYS HB3 H 1 3.170 0.02 . 2 . . . A 21 CYS HB3 . 25778 1 238 . 1 1 21 21 CYS C C 13 171.918 0.3 . 1 . . . A 21 CYS C . 25778 1 239 . 1 1 21 21 CYS CA C 13 55.104 0.3 . 1 . . . A 21 CYS CA . 25778 1 240 . 1 1 21 21 CYS CB C 13 41.783 0.3 . 1 . . . A 21 CYS CB . 25778 1 241 . 1 1 21 21 CYS N N 15 115.649 0.2 . 1 . . . A 21 CYS N . 25778 1 242 . 1 1 22 22 TYR H H 1 9.515 0.02 . 1 . . . A 22 TYR H . 25778 1 243 . 1 1 22 22 TYR HA H 1 4.916 0.02 . 1 . . . A 22 TYR HA . 25778 1 244 . 1 1 22 22 TYR HB2 H 1 3.457 0.02 . 2 . . . A 22 TYR HB2 . 25778 1 245 . 1 1 22 22 TYR HB3 H 1 2.866 0.02 . 2 . . . A 22 TYR HB3 . 25778 1 246 . 1 1 22 22 TYR HD1 H 1 7.165 0.02 . 3 . . . A 22 TYR HD1 . 25778 1 247 . 1 1 22 22 TYR HD2 H 1 7.165 0.02 . 3 . . . A 22 TYR HD2 . 25778 1 248 . 1 1 22 22 TYR HE1 H 1 6.848 0.02 . 3 . . . A 22 TYR HE1 . 25778 1 249 . 1 1 22 22 TYR HE2 H 1 6.848 0.02 . 3 . . . A 22 TYR HE2 . 25778 1 250 . 1 1 22 22 TYR C C 13 174.482 0.3 . 1 . . . A 22 TYR C . 25778 1 251 . 1 1 22 22 TYR CA C 13 55.333 0.3 . 1 . . . A 22 TYR CA . 25778 1 252 . 1 1 22 22 TYR CB C 13 37.509 0.3 . 1 . . . A 22 TYR CB . 25778 1 253 . 1 1 22 22 TYR CD1 C 13 131.331 0.3 . 1 . . . A 22 TYR CD1 . 25778 1 254 . 1 1 22 22 TYR CD2 C 13 131.331 0.3 . 1 . . . A 22 TYR CD2 . 25778 1 255 . 1 1 22 22 TYR CE1 C 13 118.548 0.3 . 1 . . . A 22 TYR CE1 . 25778 1 256 . 1 1 22 22 TYR CE2 C 13 118.548 0.3 . 1 . . . A 22 TYR CE2 . 25778 1 257 . 1 1 22 22 TYR N N 15 120.251 0.2 . 1 . . . A 22 TYR N . 25778 1 258 . 1 1 23 23 THR H H 1 8.049 0.02 . 1 . . . A 23 THR H . 25778 1 259 . 1 1 23 23 THR HA H 1 3.577 0.02 . 1 . . . A 23 THR HA . 25778 1 260 . 1 1 23 23 THR HB H 1 4.155 0.02 . 1 . . . A 23 THR HB . 25778 1 261 . 1 1 23 23 THR HG21 H 1 1.281 0.02 . 1 . . . A 23 THR HG21 . 25778 1 262 . 1 1 23 23 THR HG22 H 1 1.281 0.02 . 1 . . . A 23 THR HG22 . 25778 1 263 . 1 1 23 23 THR HG23 H 1 1.281 0.02 . 1 . . . A 23 THR HG23 . 25778 1 264 . 1 1 23 23 THR CA C 13 60.603 0.3 . 1 . . . A 23 THR CA . 25778 1 265 . 1 1 23 23 THR CB C 13 66.902 0.3 . 1 . . . A 23 THR CB . 25778 1 266 . 1 1 23 23 THR CG2 C 13 23.295 0.3 . 1 . . . A 23 THR CG2 . 25778 1 267 . 1 1 23 23 THR N N 15 117.046 0.2 . 1 . . . A 23 THR N . 25778 1 268 . 1 1 24 24 PRO HA H 1 3.813 0.02 . 1 . . . A 24 PRO HA . 25778 1 269 . 1 1 24 24 PRO HB2 H 1 2.352 0.02 . 2 . . . A 24 PRO HB2 . 25778 1 270 . 1 1 24 24 PRO HB3 H 1 1.858 0.02 . 2 . . . A 24 PRO HB3 . 25778 1 271 . 1 1 24 24 PRO HG2 H 1 1.833 0.02 . 2 . . . A 24 PRO HG2 . 25778 1 272 . 1 1 24 24 PRO HG3 H 1 2.130 0.02 . 2 . . . A 24 PRO HG3 . 25778 1 273 . 1 1 24 24 PRO HD2 H 1 2.863 0.02 . 2 . . . A 24 PRO HD2 . 25778 1 274 . 1 1 24 24 PRO HD3 H 1 2.600 0.02 . 2 . . . A 24 PRO HD3 . 25778 1 275 . 1 1 24 24 PRO C C 13 176.768 0.3 . 1 . . . A 24 PRO C . 25778 1 276 . 1 1 24 24 PRO CA C 13 65.026 0.3 . 1 . . . A 24 PRO CA . 25778 1 277 . 1 1 24 24 PRO CB C 13 31.597 0.3 . 1 . . . A 24 PRO CB . 25778 1 278 . 1 1 24 24 PRO CG C 13 28.442 0.3 . 1 . . . A 24 PRO CG . 25778 1 279 . 1 1 24 24 PRO CD C 13 50.410 0.3 . 1 . . . A 24 PRO CD . 25778 1 280 . 1 1 25 25 ARG H H 1 9.026 0.02 . 1 . . . A 25 ARG H . 25778 1 281 . 1 1 25 25 ARG HA H 1 3.738 0.02 . 1 . . . A 25 ARG HA . 25778 1 282 . 1 1 25 25 ARG HB2 H 1 2.660 0.02 . 2 . . . A 25 ARG HB2 . 25778 1 283 . 1 1 25 25 ARG HB3 H 1 2.138 0.02 . 2 . . . A 25 ARG HB3 . 25778 1 284 . 1 1 25 25 ARG HG2 H 1 1.641 0.02 . 2 . . . A 25 ARG HG2 . 25778 1 285 . 1 1 25 25 ARG HG3 H 1 1.641 0.02 . 2 . . . A 25 ARG HG3 . 25778 1 286 . 1 1 25 25 ARG HD2 H 1 3.320 0.02 . 2 . . . A 25 ARG HD2 . 25778 1 287 . 1 1 25 25 ARG HD3 H 1 3.022 0.02 . 2 . . . A 25 ARG HD3 . 25778 1 288 . 1 1 25 25 ARG HE H 1 7.190 0.02 . 1 . . . A 25 ARG HE . 25778 1 289 . 1 1 25 25 ARG C C 13 175.661 0.3 . 1 . . . A 25 ARG C . 25778 1 290 . 1 1 25 25 ARG CA C 13 59.482 0.3 . 1 . . . A 25 ARG CA . 25778 1 291 . 1 1 25 25 ARG CB C 13 27.713 0.3 . 1 . . . A 25 ARG CB . 25778 1 292 . 1 1 25 25 ARG CG C 13 26.909 0.3 . 1 . . . A 25 ARG CG . 25778 1 293 . 1 1 25 25 ARG CD C 13 41.885 0.3 . 1 . . . A 25 ARG CD . 25778 1 294 . 1 1 25 25 ARG N N 15 112.632 0.2 . 1 . . . A 25 ARG N . 25778 1 295 . 1 1 25 25 ARG NE N 15 83.480 0.2 . 1 . . . A 25 ARG NE . 25778 1 296 . 1 1 26 26 ARG H H 1 8.351 0.02 . 1 . . . A 26 ARG H . 25778 1 297 . 1 1 26 26 ARG HA H 1 4.271 0.02 . 1 . . . A 26 ARG HA . 25778 1 298 . 1 1 26 26 ARG HB2 H 1 1.915 0.02 . 2 . . . A 26 ARG HB2 . 25778 1 299 . 1 1 26 26 ARG HB3 H 1 1.839 0.02 . 2 . . . A 26 ARG HB3 . 25778 1 300 . 1 1 26 26 ARG HG2 H 1 1.768 0.02 . 2 . . . A 26 ARG HG2 . 25778 1 301 . 1 1 26 26 ARG HG3 H 1 1.669 0.02 . 2 . . . A 26 ARG HG3 . 25778 1 302 . 1 1 26 26 ARG HD2 H 1 3.129 0.02 . 2 . . . A 26 ARG HD2 . 25778 1 303 . 1 1 26 26 ARG HD3 H 1 2.774 0.02 . 2 . . . A 26 ARG HD3 . 25778 1 304 . 1 1 26 26 ARG HE H 1 6.684 0.02 . 1 . . . A 26 ARG HE . 25778 1 305 . 1 1 26 26 ARG C C 13 176.575 0.3 . 1 . . . A 26 ARG C . 25778 1 306 . 1 1 26 26 ARG CA C 13 56.864 0.3 . 1 . . . A 26 ARG CA . 25778 1 307 . 1 1 26 26 ARG CB C 13 30.409 0.3 . 1 . . . A 26 ARG CB . 25778 1 308 . 1 1 26 26 ARG CG C 13 27.225 0.3 . 1 . . . A 26 ARG CG . 25778 1 309 . 1 1 26 26 ARG CD C 13 43.643 0.3 . 1 . . . A 26 ARG CD . 25778 1 310 . 1 1 26 26 ARG N N 15 122.605 0.2 . 1 . . . A 26 ARG N . 25778 1 311 . 1 1 26 26 ARG NE N 15 83.788 0.2 . 1 . . . A 26 ARG NE . 25778 1 312 . 1 1 27 27 ARG H H 1 8.488 0.02 . 1 . . . A 27 ARG H . 25778 1 313 . 1 1 27 27 ARG HA H 1 4.779 0.02 . 1 . . . A 27 ARG HA . 25778 1 314 . 1 1 27 27 ARG HB2 H 1 1.931 0.02 . 2 . . . A 27 ARG HB2 . 25778 1 315 . 1 1 27 27 ARG HB3 H 1 1.738 0.02 . 2 . . . A 27 ARG HB3 . 25778 1 316 . 1 1 27 27 ARG HG2 H 1 1.939 0.02 . 2 . . . A 27 ARG HG2 . 25778 1 317 . 1 1 27 27 ARG HG3 H 1 1.567 0.02 . 2 . . . A 27 ARG HG3 . 25778 1 318 . 1 1 27 27 ARG HD2 H 1 3.229 0.02 . 2 . . . A 27 ARG HD2 . 25778 1 319 . 1 1 27 27 ARG HD3 H 1 3.229 0.02 . 2 . . . A 27 ARG HD3 . 25778 1 320 . 1 1 27 27 ARG C C 13 175.533 0.3 . 1 . . . A 27 ARG C . 25778 1 321 . 1 1 27 27 ARG CB C 13 30.596 0.3 . 1 . . . A 27 ARG CB . 25778 1 322 . 1 1 27 27 ARG CG C 13 28.119 0.3 . 1 . . . A 27 ARG CG . 25778 1 323 . 1 1 27 27 ARG CD C 13 43.601 0.3 . 1 . . . A 27 ARG CD . 25778 1 324 . 1 1 27 27 ARG N N 15 123.927 0.2 . 1 . . . A 27 ARG N . 25778 1 325 . 1 1 28 28 CYS H H 1 8.165 0.02 . 1 . . . A 28 CYS H . 25778 1 326 . 1 1 28 28 CYS HA H 1 5.280 0.02 . 1 . . . A 28 CYS HA . 25778 1 327 . 1 1 28 28 CYS HB2 H 1 3.420 0.02 . 2 . . . A 28 CYS HB2 . 25778 1 328 . 1 1 28 28 CYS HB3 H 1 3.420 0.02 . 2 . . . A 28 CYS HB3 . 25778 1 329 . 1 1 28 28 CYS C C 13 173.693 0.3 . 1 . . . A 28 CYS C . 25778 1 330 . 1 1 28 28 CYS CA C 13 53.207 0.3 . 1 . . . A 28 CYS CA . 25778 1 331 . 1 1 28 28 CYS CB C 13 48.562 0.3 . 1 . . . A 28 CYS CB . 25778 1 332 . 1 1 28 28 CYS N N 15 117.880 0.2 . 1 . . . A 28 CYS N . 25778 1 333 . 1 1 29 29 THR H H 1 9.863 0.02 . 1 . . . A 29 THR H . 25778 1 334 . 1 1 29 29 THR HA H 1 4.510 0.02 . 1 . . . A 29 THR HA . 25778 1 335 . 1 1 29 29 THR HB H 1 4.323 0.02 . 1 . . . A 29 THR HB . 25778 1 336 . 1 1 29 29 THR HG21 H 1 1.244 0.02 . 1 . . . A 29 THR HG21 . 25778 1 337 . 1 1 29 29 THR HG22 H 1 1.244 0.02 . 1 . . . A 29 THR HG22 . 25778 1 338 . 1 1 29 29 THR HG23 H 1 1.244 0.02 . 1 . . . A 29 THR HG23 . 25778 1 339 . 1 1 29 29 THR C C 13 174.605 0.3 . 1 . . . A 29 THR C . 25778 1 340 . 1 1 29 29 THR CA C 13 61.935 0.3 . 1 . . . A 29 THR CA . 25778 1 341 . 1 1 29 29 THR CB C 13 70.119 0.3 . 1 . . . A 29 THR CB . 25778 1 342 . 1 1 29 29 THR CG2 C 13 22.063 0.3 . 1 . . . A 29 THR CG2 . 25778 1 343 . 1 1 29 29 THR N N 15 111.260 0.2 . 1 . . . A 29 THR N . 25778 1 344 . 1 1 30 30 SER H H 1 7.842 0.02 . 1 . . . A 30 SER H . 25778 1 345 . 1 1 30 30 SER HA H 1 4.621 0.02 . 1 . . . A 30 SER HA . 25778 1 346 . 1 1 30 30 SER HB2 H 1 4.007 0.02 . 2 . . . A 30 SER HB2 . 25778 1 347 . 1 1 30 30 SER HB3 H 1 3.573 0.02 . 2 . . . A 30 SER HB3 . 25778 1 348 . 1 1 30 30 SER C C 13 174.756 0.3 . 1 . . . A 30 SER C . 25778 1 349 . 1 1 30 30 SER CA C 13 56.770 0.3 . 1 . . . A 30 SER CA . 25778 1 350 . 1 1 30 30 SER CB C 13 65.163 0.3 . 1 . . . A 30 SER CB . 25778 1 351 . 1 1 30 30 SER N N 15 116.499 0.2 . 1 . . . A 30 SER N . 25778 1 352 . 1 1 31 31 ALA H H 1 9.143 0.02 . 1 . . . A 31 ALA H . 25778 1 353 . 1 1 31 31 ALA HA H 1 3.803 0.02 . 1 . . . A 31 ALA HA . 25778 1 354 . 1 1 31 31 ALA HB1 H 1 1.303 0.02 . 1 . . . A 31 ALA HB1 . 25778 1 355 . 1 1 31 31 ALA HB2 H 1 1.303 0.02 . 1 . . . A 31 ALA HB2 . 25778 1 356 . 1 1 31 31 ALA HB3 H 1 1.303 0.02 . 1 . . . A 31 ALA HB3 . 25778 1 357 . 1 1 31 31 ALA C C 13 178.519 0.3 . 1 . . . A 31 ALA C . 25778 1 358 . 1 1 31 31 ALA CA C 13 55.677 0.3 . 1 . . . A 31 ALA CA . 25778 1 359 . 1 1 31 31 ALA CB C 13 17.686 0.3 . 1 . . . A 31 ALA CB . 25778 1 360 . 1 1 31 31 ALA N N 15 126.961 0.2 . 1 . . . A 31 ALA N . 25778 1 361 . 1 1 32 32 ASP H H 1 8.090 0.02 . 1 . . . A 32 ASP H . 25778 1 362 . 1 1 32 32 ASP HA H 1 4.434 0.02 . 1 . . . A 32 ASP HA . 25778 1 363 . 1 1 32 32 ASP HB2 H 1 2.693 0.02 . 2 . . . A 32 ASP HB2 . 25778 1 364 . 1 1 32 32 ASP HB3 H 1 2.568 0.02 . 2 . . . A 32 ASP HB3 . 25778 1 365 . 1 1 32 32 ASP C C 13 178.382 0.3 . 1 . . . A 32 ASP C . 25778 1 366 . 1 1 32 32 ASP CA C 13 56.149 0.3 . 1 . . . A 32 ASP CA . 25778 1 367 . 1 1 32 32 ASP CB C 13 40.100 0.3 . 1 . . . A 32 ASP CB . 25778 1 368 . 1 1 32 32 ASP N N 15 114.156 0.2 . 1 . . . A 32 ASP N . 25778 1 369 . 1 1 33 33 GLN H H 1 7.325 0.02 . 1 . . . A 33 GLN H . 25778 1 370 . 1 1 33 33 GLN HA H 1 3.863 0.02 . 1 . . . A 33 GLN HA . 25778 1 371 . 1 1 33 33 GLN HB2 H 1 1.997 0.02 . 2 . . . A 33 GLN HB2 . 25778 1 372 . 1 1 33 33 GLN HB3 H 1 0.848 0.02 . 2 . . . A 33 GLN HB3 . 25778 1 373 . 1 1 33 33 GLN HG2 H 1 2.024 0.02 . 2 . . . A 33 GLN HG2 . 25778 1 374 . 1 1 33 33 GLN HG3 H 1 1.942 0.02 . 2 . . . A 33 GLN HG3 . 25778 1 375 . 1 1 33 33 GLN HE21 H 1 7.258 0.02 . 2 . . . A 33 GLN HE21 . 25778 1 376 . 1 1 33 33 GLN HE22 H 1 6.708 0.02 . 2 . . . A 33 GLN HE22 . 25778 1 377 . 1 1 33 33 GLN C C 13 176.437 0.3 . 1 . . . A 33 GLN C . 25778 1 378 . 1 1 33 33 GLN CA C 13 57.098 0.3 . 1 . . . A 33 GLN CA . 25778 1 379 . 1 1 33 33 GLN CB C 13 29.902 0.3 . 1 . . . A 33 GLN CB . 25778 1 380 . 1 1 33 33 GLN CG C 13 34.196 0.3 . 1 . . . A 33 GLN CG . 25778 1 381 . 1 1 33 33 GLN N N 15 116.824 0.2 . 1 . . . A 33 GLN N . 25778 1 382 . 1 1 33 33 GLN NE2 N 15 111.972 0.2 . 1 . . . A 33 GLN NE2 . 25778 1 383 . 1 1 34 34 CYS H H 1 7.392 0.02 . 1 . . . A 34 CYS H . 25778 1 384 . 1 1 34 34 CYS HA H 1 4.988 0.02 . 1 . . . A 34 CYS HA . 25778 1 385 . 1 1 34 34 CYS HB2 H 1 3.781 0.02 . 2 . . . A 34 CYS HB2 . 25778 1 386 . 1 1 34 34 CYS HB3 H 1 2.752 0.02 . 2 . . . A 34 CYS HB3 . 25778 1 387 . 1 1 34 34 CYS C C 13 174.705 0.3 . 1 . . . A 34 CYS C . 25778 1 388 . 1 1 34 34 CYS CA C 13 54.699 0.3 . 1 . . . A 34 CYS CA . 25778 1 389 . 1 1 34 34 CYS CB C 13 37.952 0.3 . 1 . . . A 34 CYS CB . 25778 1 390 . 1 1 34 34 CYS N N 15 116.791 0.2 . 1 . . . A 34 CYS N . 25778 1 391 . 1 1 35 35 CYS H H 1 9.263 0.02 . 1 . . . A 35 CYS H . 25778 1 392 . 1 1 35 35 CYS HA H 1 4.500 0.02 . 1 . . . A 35 CYS HA . 25778 1 393 . 1 1 35 35 CYS HB2 H 1 3.473 0.02 . 2 . . . A 35 CYS HB2 . 25778 1 394 . 1 1 35 35 CYS HB3 H 1 2.232 0.02 . 2 . . . A 35 CYS HB3 . 25778 1 395 . 1 1 35 35 CYS C C 13 172.770 0.3 . 1 . . . A 35 CYS C . 25778 1 396 . 1 1 35 35 CYS CA C 13 55.169 0.3 . 1 . . . A 35 CYS CA . 25778 1 397 . 1 1 35 35 CYS CB C 13 40.170 0.3 . 1 . . . A 35 CYS CB . 25778 1 398 . 1 1 35 35 CYS N N 15 120.838 0.2 . 1 . . . A 35 CYS N . 25778 1 399 . 1 1 36 36 ARG H H 1 9.008 0.02 . 1 . . . A 36 ARG H . 25778 1 400 . 1 1 36 36 ARG HA H 1 3.977 0.02 . 1 . . . A 36 ARG HA . 25778 1 401 . 1 1 36 36 ARG HB2 H 1 1.741 0.02 . 2 . . . A 36 ARG HB2 . 25778 1 402 . 1 1 36 36 ARG HB3 H 1 1.582 0.02 . 2 . . . A 36 ARG HB3 . 25778 1 403 . 1 1 36 36 ARG HG2 H 1 1.396 0.02 . 2 . . . A 36 ARG HG2 . 25778 1 404 . 1 1 36 36 ARG HG3 H 1 0.971 0.02 . 2 . . . A 36 ARG HG3 . 25778 1 405 . 1 1 36 36 ARG HD2 H 1 2.841 0.02 . 2 . . . A 36 ARG HD2 . 25778 1 406 . 1 1 36 36 ARG HD3 H 1 2.841 0.02 . 2 . . . A 36 ARG HD3 . 25778 1 407 . 1 1 36 36 ARG CA C 13 53.859 0.3 . 1 . . . A 36 ARG CA . 25778 1 408 . 1 1 36 36 ARG CB C 13 29.409 0.3 . 1 . . . A 36 ARG CB . 25778 1 409 . 1 1 36 36 ARG CG C 13 27.531 0.3 . 1 . . . A 36 ARG CG . 25778 1 410 . 1 1 36 36 ARG CD C 13 42.858 0.3 . 1 . . . A 36 ARG CD . 25778 1 411 . 1 1 36 36 ARG N N 15 120.291 0.2 . 1 . . . A 36 ARG N . 25778 1 412 . 1 1 37 37 PRO HA H 1 4.620 0.02 . 1 . . . A 37 PRO HA . 25778 1 413 . 1 1 37 37 PRO HB2 H 1 2.188 0.02 . 2 . . . A 37 PRO HB2 . 25778 1 414 . 1 1 37 37 PRO HB3 H 1 1.698 0.02 . 2 . . . A 37 PRO HB3 . 25778 1 415 . 1 1 37 37 PRO HG2 H 1 1.970 0.02 . 2 . . . A 37 PRO HG2 . 25778 1 416 . 1 1 37 37 PRO HG3 H 1 1.690 0.02 . 2 . . . A 37 PRO HG3 . 25778 1 417 . 1 1 37 37 PRO HD2 H 1 3.777 0.02 . 2 . . . A 37 PRO HD2 . 25778 1 418 . 1 1 37 37 PRO HD3 H 1 3.609 0.02 . 2 . . . A 37 PRO HD3 . 25778 1 419 . 1 1 37 37 PRO C C 13 175.468 0.3 . 1 . . . A 37 PRO C . 25778 1 420 . 1 1 37 37 PRO CA C 13 61.922 0.3 . 1 . . . A 37 PRO CA . 25778 1 421 . 1 1 37 37 PRO CB C 13 32.245 0.3 . 1 . . . A 37 PRO CB . 25778 1 422 . 1 1 37 37 PRO CG C 13 27.180 0.3 . 1 . . . A 37 PRO CG . 25778 1 423 . 1 1 37 37 PRO CD C 13 50.579 0.3 . 1 . . . A 37 PRO CD . 25778 1 424 . 1 1 38 38 TYR H H 1 8.008 0.02 . 1 . . . A 38 TYR H . 25778 1 425 . 1 1 38 38 TYR HA H 1 4.019 0.02 . 1 . . . A 38 TYR HA . 25778 1 426 . 1 1 38 38 TYR HB2 H 1 2.689 0.02 . 2 . . . A 38 TYR HB2 . 25778 1 427 . 1 1 38 38 TYR HB3 H 1 2.534 0.02 . 2 . . . A 38 TYR HB3 . 25778 1 428 . 1 1 38 38 TYR HD1 H 1 6.979 0.02 . 3 . . . A 38 TYR HD1 . 25778 1 429 . 1 1 38 38 TYR HD2 H 1 6.979 0.02 . 3 . . . A 38 TYR HD2 . 25778 1 430 . 1 1 38 38 TYR HE1 H 1 6.776 0.02 . 3 . . . A 38 TYR HE1 . 25778 1 431 . 1 1 38 38 TYR HE2 H 1 6.776 0.02 . 3 . . . A 38 TYR HE2 . 25778 1 432 . 1 1 38 38 TYR C C 13 175.921 0.3 . 1 . . . A 38 TYR C . 25778 1 433 . 1 1 38 38 TYR CA C 13 60.973 0.3 . 1 . . . A 38 TYR CA . 25778 1 434 . 1 1 38 38 TYR CB C 13 39.274 0.3 . 1 . . . A 38 TYR CB . 25778 1 435 . 1 1 38 38 TYR CD1 C 13 132.778 0.3 . 1 . . . A 38 TYR CD1 . 25778 1 436 . 1 1 38 38 TYR CD2 C 13 132.778 0.3 . 1 . . . A 38 TYR CD2 . 25778 1 437 . 1 1 38 38 TYR CE1 C 13 118.537 0.3 . 1 . . . A 38 TYR CE1 . 25778 1 438 . 1 1 38 38 TYR CE2 C 13 118.537 0.3 . 1 . . . A 38 TYR CE2 . 25778 1 439 . 1 1 38 38 TYR N N 15 120.939 0.2 . 1 . . . A 38 TYR N . 25778 1 440 . 1 1 39 39 ASP H H 1 8.488 0.02 . 1 . . . A 39 ASP H . 25778 1 441 . 1 1 39 39 ASP HA H 1 4.886 0.02 . 1 . . . A 39 ASP HA . 25778 1 442 . 1 1 39 39 ASP HB2 H 1 3.072 0.02 . 2 . . . A 39 ASP HB2 . 25778 1 443 . 1 1 39 39 ASP HB3 H 1 2.422 0.02 . 2 . . . A 39 ASP HB3 . 25778 1 444 . 1 1 39 39 ASP C C 13 176.845 0.3 . 1 . . . A 39 ASP C . 25778 1 445 . 1 1 39 39 ASP CA C 13 51.757 0.3 . 1 . . . A 39 ASP CA . 25778 1 446 . 1 1 39 39 ASP CB C 13 40.339 0.3 . 1 . . . A 39 ASP CB . 25778 1 447 . 1 1 39 39 ASP N N 15 116.741 0.2 . 1 . . . A 39 ASP N . 25778 1 448 . 1 1 40 40 THR H H 1 8.244 0.02 . 1 . . . A 40 THR H . 25778 1 449 . 1 1 40 40 THR HA H 1 4.350 0.02 . 1 . . . A 40 THR HA . 25778 1 450 . 1 1 40 40 THR HB H 1 4.658 0.02 . 1 . . . A 40 THR HB . 25778 1 451 . 1 1 40 40 THR HG21 H 1 1.347 0.02 . 1 . . . A 40 THR HG21 . 25778 1 452 . 1 1 40 40 THR HG22 H 1 1.347 0.02 . 1 . . . A 40 THR HG22 . 25778 1 453 . 1 1 40 40 THR HG23 H 1 1.347 0.02 . 1 . . . A 40 THR HG23 . 25778 1 454 . 1 1 40 40 THR C C 13 176.048 0.3 . 1 . . . A 40 THR C . 25778 1 455 . 1 1 40 40 THR CA C 13 63.336 0.3 . 1 . . . A 40 THR CA . 25778 1 456 . 1 1 40 40 THR CB C 13 68.620 0.3 . 1 . . . A 40 THR CB . 25778 1 457 . 1 1 40 40 THR CG2 C 13 22.262 0.3 . 1 . . . A 40 THR CG2 . 25778 1 458 . 1 1 40 40 THR N N 15 113.915 0.2 . 1 . . . A 40 THR N . 25778 1 459 . 1 1 41 41 THR H H 1 8.547 0.02 . 1 . . . A 41 THR H . 25778 1 460 . 1 1 41 41 THR HA H 1 4.506 0.02 . 1 . . . A 41 THR HA . 25778 1 461 . 1 1 41 41 THR HB H 1 4.351 0.02 . 1 . . . A 41 THR HB . 25778 1 462 . 1 1 41 41 THR HG21 H 1 1.275 0.02 . 1 . . . A 41 THR HG21 . 25778 1 463 . 1 1 41 41 THR HG22 H 1 1.275 0.02 . 1 . . . A 41 THR HG22 . 25778 1 464 . 1 1 41 41 THR HG23 H 1 1.275 0.02 . 1 . . . A 41 THR HG23 . 25778 1 465 . 1 1 41 41 THR C C 13 175.519 0.3 . 1 . . . A 41 THR C . 25778 1 466 . 1 1 41 41 THR CA C 13 63.401 0.3 . 1 . . . A 41 THR CA . 25778 1 467 . 1 1 41 41 THR CB C 13 69.298 0.3 . 1 . . . A 41 THR CB . 25778 1 468 . 1 1 41 41 THR CG2 C 13 21.914 0.3 . 1 . . . A 41 THR CG2 . 25778 1 469 . 1 1 41 41 THR N N 15 113.431 0.2 . 1 . . . A 41 THR N . 25778 1 470 . 1 1 42 42 ALA H H 1 7.218 0.02 . 1 . . . A 42 ALA H . 25778 1 471 . 1 1 42 42 ALA HA H 1 4.671 0.02 . 1 . . . A 42 ALA HA . 25778 1 472 . 1 1 42 42 ALA HB1 H 1 1.439 0.02 . 1 . . . A 42 ALA HB1 . 25778 1 473 . 1 1 42 42 ALA HB2 H 1 1.439 0.02 . 1 . . . A 42 ALA HB2 . 25778 1 474 . 1 1 42 42 ALA HB3 H 1 1.439 0.02 . 1 . . . A 42 ALA HB3 . 25778 1 475 . 1 1 42 42 ALA C C 13 176.849 0.3 . 1 . . . A 42 ALA C . 25778 1 476 . 1 1 42 42 ALA CA C 13 51.909 0.3 . 1 . . . A 42 ALA CA . 25778 1 477 . 1 1 42 42 ALA CB C 13 21.954 0.3 . 1 . . . A 42 ALA CB . 25778 1 478 . 1 1 42 42 ALA N N 15 122.783 0.2 . 1 . . . A 42 ALA N . 25778 1 479 . 1 1 43 43 ALA H H 1 7.744 0.02 . 1 . . . A 43 ALA H . 25778 1 480 . 1 1 43 43 ALA HA H 1 4.883 0.02 . 1 . . . A 43 ALA HA . 25778 1 481 . 1 1 43 43 ALA HB1 H 1 1.328 0.02 . 1 . . . A 43 ALA HB1 . 25778 1 482 . 1 1 43 43 ALA HB2 H 1 1.328 0.02 . 1 . . . A 43 ALA HB2 . 25778 1 483 . 1 1 43 43 ALA HB3 H 1 1.328 0.02 . 1 . . . A 43 ALA HB3 . 25778 1 484 . 1 1 43 43 ALA C C 13 173.998 0.3 . 1 . . . A 43 ALA C . 25778 1 485 . 1 1 43 43 ALA CA C 13 51.764 0.3 . 1 . . . A 43 ALA CA . 25778 1 486 . 1 1 43 43 ALA CB C 13 23.357 0.3 . 1 . . . A 43 ALA CB . 25778 1 487 . 1 1 43 43 ALA N N 15 123.174 0.2 . 1 . . . A 43 ALA N . 25778 1 488 . 1 1 44 44 PHE H H 1 9.001 0.02 . 1 . . . A 44 PHE H . 25778 1 489 . 1 1 44 44 PHE HA H 1 5.230 0.02 . 1 . . . A 44 PHE HA . 25778 1 490 . 1 1 44 44 PHE HB2 H 1 3.247 0.02 . 2 . . . A 44 PHE HB2 . 25778 1 491 . 1 1 44 44 PHE HB3 H 1 3.122 0.02 . 2 . . . A 44 PHE HB3 . 25778 1 492 . 1 1 44 44 PHE HD1 H 1 7.191 0.02 . 3 . . . A 44 PHE HD1 . 25778 1 493 . 1 1 44 44 PHE HD2 H 1 7.191 0.02 . 3 . . . A 44 PHE HD2 . 25778 1 494 . 1 1 44 44 PHE HE1 H 1 7.425 0.02 . 3 . . . A 44 PHE HE1 . 25778 1 495 . 1 1 44 44 PHE HE2 H 1 7.425 0.02 . 3 . . . A 44 PHE HE2 . 25778 1 496 . 1 1 44 44 PHE HZ H 1 7.178 0.02 . 1 . . . A 44 PHE HZ . 25778 1 497 . 1 1 44 44 PHE C C 13 171.217 0.3 . 1 . . . A 44 PHE C . 25778 1 498 . 1 1 44 44 PHE CA C 13 56.190 0.3 . 1 . . . A 44 PHE CA . 25778 1 499 . 1 1 44 44 PHE CB C 13 42.248 0.3 . 1 . . . A 44 PHE CB . 25778 1 500 . 1 1 44 44 PHE CD1 C 13 133.084 0.3 . 1 . . . A 44 PHE CD1 . 25778 1 501 . 1 1 44 44 PHE CD2 C 13 133.084 0.3 . 1 . . . A 44 PHE CD2 . 25778 1 502 . 1 1 44 44 PHE CE1 C 13 131.488 0.3 . 1 . . . A 44 PHE CE1 . 25778 1 503 . 1 1 44 44 PHE CE2 C 13 131.488 0.3 . 1 . . . A 44 PHE CE2 . 25778 1 504 . 1 1 44 44 PHE CZ C 13 128.514 0.3 . 1 . . . A 44 PHE CZ . 25778 1 505 . 1 1 44 44 PHE N N 15 114.138 0.2 . 1 . . . A 44 PHE N . 25778 1 506 . 1 1 45 45 HIS H H 1 8.221 0.02 . 1 . . . A 45 HIS H . 25778 1 507 . 1 1 45 45 HIS HA H 1 5.535 0.02 . 1 . . . A 45 HIS HA . 25778 1 508 . 1 1 45 45 HIS HB2 H 1 2.968 0.02 . 2 . . . A 45 HIS HB2 . 25778 1 509 . 1 1 45 45 HIS HB3 H 1 2.906 0.02 . 2 . . . A 45 HIS HB3 . 25778 1 510 . 1 1 45 45 HIS HD2 H 1 6.887 0.02 . 1 . . . A 45 HIS HD2 . 25778 1 511 . 1 1 45 45 HIS HE1 H 1 7.705 0.02 . 1 . . . A 45 HIS HE1 . 25778 1 512 . 1 1 45 45 HIS C C 13 173.904 0.3 . 1 . . . A 45 HIS C . 25778 1 513 . 1 1 45 45 HIS CA C 13 53.226 0.3 . 1 . . . A 45 HIS CA . 25778 1 514 . 1 1 45 45 HIS CB C 13 35.631 0.3 . 1 . . . A 45 HIS CB . 25778 1 515 . 1 1 45 45 HIS CD2 C 13 118.819 0.3 . 1 . . . A 45 HIS CD2 . 25778 1 516 . 1 1 45 45 HIS CE1 C 13 139.536 0.3 . 1 . . . A 45 HIS CE1 . 25778 1 517 . 1 1 45 45 HIS N N 15 117.879 0.2 . 1 . . . A 45 HIS N . 25778 1 518 . 1 1 46 46 GLY H H 1 7.605 0.02 . 1 . . . A 46 GLY H . 25778 1 519 . 1 1 46 46 GLY HA2 H 1 3.644 0.02 . 2 . . . A 46 GLY HA2 . 25778 1 520 . 1 1 46 46 GLY HA3 H 1 3.086 0.02 . 2 . . . A 46 GLY HA3 . 25778 1 521 . 1 1 46 46 GLY C C 13 168.387 0.3 . 1 . . . A 46 GLY C . 25778 1 522 . 1 1 46 46 GLY CA C 13 44.804 0.3 . 1 . . . A 46 GLY CA . 25778 1 523 . 1 1 46 46 GLY N N 15 104.953 0.2 . 1 . . . A 46 GLY N . 25778 1 524 . 1 1 47 47 CYS H H 1 8.417 0.02 . 1 . . . A 47 CYS H . 25778 1 525 . 1 1 47 47 CYS HA H 1 5.086 0.02 . 1 . . . A 47 CYS HA . 25778 1 526 . 1 1 47 47 CYS HB2 H 1 2.699 0.02 . 2 . . . A 47 CYS HB2 . 25778 1 527 . 1 1 47 47 CYS HB3 H 1 2.699 0.02 . 2 . . . A 47 CYS HB3 . 25778 1 528 . 1 1 47 47 CYS C C 13 174.451 0.3 . 1 . . . A 47 CYS C . 25778 1 529 . 1 1 47 47 CYS CA C 13 54.199 0.3 . 1 . . . A 47 CYS CA . 25778 1 530 . 1 1 47 47 CYS CB C 13 42.627 0.3 . 1 . . . A 47 CYS CB . 25778 1 531 . 1 1 47 47 CYS N N 15 117.423 0.2 . 1 . . . A 47 CYS N . 25778 1 532 . 1 1 48 48 GLY H H 1 9.179 0.02 . 1 . . . A 48 GLY H . 25778 1 533 . 1 1 48 48 GLY HA2 H 1 4.623 0.02 . 2 . . . A 48 GLY HA2 . 25778 1 534 . 1 1 48 48 GLY HA3 H 1 4.324 0.02 . 2 . . . A 48 GLY HA3 . 25778 1 535 . 1 1 48 48 GLY C C 13 173.222 0.3 . 1 . . . A 48 GLY C . 25778 1 536 . 1 1 48 48 GLY CA C 13 46.863 0.3 . 1 . . . A 48 GLY CA . 25778 1 537 . 1 1 48 48 GLY N N 15 113.477 0.2 . 1 . . . A 48 GLY N . 25778 1 538 . 1 1 49 49 ARG H H 1 9.122 0.02 . 1 . . . A 49 ARG H . 25778 1 539 . 1 1 49 49 ARG HA H 1 4.885 0.02 . 1 . . . A 49 ARG HA . 25778 1 540 . 1 1 49 49 ARG HB2 H 1 1.822 0.02 . 2 . . . A 49 ARG HB2 . 25778 1 541 . 1 1 49 49 ARG HB3 H 1 1.346 0.02 . 2 . . . A 49 ARG HB3 . 25778 1 542 . 1 1 49 49 ARG HG2 H 1 1.724 0.02 . 2 . . . A 49 ARG HG2 . 25778 1 543 . 1 1 49 49 ARG HG3 H 1 1.601 0.02 . 2 . . . A 49 ARG HG3 . 25778 1 544 . 1 1 49 49 ARG HD2 H 1 3.003 0.02 . 2 . . . A 49 ARG HD2 . 25778 1 545 . 1 1 49 49 ARG HD3 H 1 3.003 0.02 . 2 . . . A 49 ARG HD3 . 25778 1 546 . 1 1 49 49 ARG C C 13 174.582 0.3 . 1 . . . A 49 ARG C . 25778 1 547 . 1 1 49 49 ARG CA C 13 54.256 0.3 . 1 . . . A 49 ARG CA . 25778 1 548 . 1 1 49 49 ARG CB C 13 30.440 0.3 . 1 . . . A 49 ARG CB . 25778 1 549 . 1 1 49 49 ARG CG C 13 25.479 0.3 . 1 . . . A 49 ARG CG . 25778 1 550 . 1 1 49 49 ARG CD C 13 42.010 0.3 . 1 . . . A 49 ARG CD . 25778 1 551 . 1 1 49 49 ARG N N 15 124.846 0.2 . 1 . . . A 49 ARG N . 25778 1 552 . 1 1 50 50 ILE H H 1 7.717 0.02 . 1 . . . A 50 ILE H . 25778 1 553 . 1 1 50 50 ILE HA H 1 3.931 0.02 . 1 . . . A 50 ILE HA . 25778 1 554 . 1 1 50 50 ILE HB H 1 1.096 0.02 . 1 . . . A 50 ILE HB . 25778 1 555 . 1 1 50 50 ILE HG12 H 1 0.317 0.02 . 2 . . . A 50 ILE HG12 . 25778 1 556 . 1 1 50 50 ILE HG13 H 1 0.136 0.02 . 2 . . . A 50 ILE HG13 . 25778 1 557 . 1 1 50 50 ILE HG21 H 1 -0.191 0.02 . 1 . . . A 50 ILE HG21 . 25778 1 558 . 1 1 50 50 ILE HG22 H 1 -0.191 0.02 . 1 . . . A 50 ILE HG22 . 25778 1 559 . 1 1 50 50 ILE HG23 H 1 -0.191 0.02 . 1 . . . A 50 ILE HG23 . 25778 1 560 . 1 1 50 50 ILE HD11 H 1 0.159 0.02 . 1 . . . A 50 ILE HD11 . 25778 1 561 . 1 1 50 50 ILE HD12 H 1 0.159 0.02 . 1 . . . A 50 ILE HD12 . 25778 1 562 . 1 1 50 50 ILE HD13 H 1 0.159 0.02 . 1 . . . A 50 ILE HD13 . 25778 1 563 . 1 1 50 50 ILE C C 13 175.396 0.3 . 1 . . . A 50 ILE C . 25778 1 564 . 1 1 50 50 ILE CA C 13 62.264 0.3 . 1 . . . A 50 ILE CA . 25778 1 565 . 1 1 50 50 ILE CB C 13 38.319 0.3 . 1 . . . A 50 ILE CB . 25778 1 566 . 1 1 50 50 ILE CG1 C 13 25.383 0.3 . 1 . . . A 50 ILE CG1 . 25778 1 567 . 1 1 50 50 ILE CG2 C 13 16.583 0.3 . 1 . . . A 50 ILE CG2 . 25778 1 568 . 1 1 50 50 ILE CD1 C 13 14.364 0.3 . 1 . . . A 50 ILE CD1 . 25778 1 569 . 1 1 50 50 ILE N N 15 115.179 0.2 . 1 . . . A 50 ILE N . 25778 1 570 . 1 1 51 51 TRP H H 1 7.593 0.02 . 1 . . . A 51 TRP H . 25778 1 571 . 1 1 51 51 TRP HA H 1 5.373 0.02 . 1 . . . A 51 TRP HA . 25778 1 572 . 1 1 51 51 TRP HB2 H 1 3.494 0.02 . 2 . . . A 51 TRP HB2 . 25778 1 573 . 1 1 51 51 TRP HB3 H 1 2.933 0.02 . 2 . . . A 51 TRP HB3 . 25778 1 574 . 1 1 51 51 TRP HD1 H 1 7.232 0.02 . 1 . . . A 51 TRP HD1 . 25778 1 575 . 1 1 51 51 TRP HE1 H 1 10.219 0.02 . 1 . . . A 51 TRP HE1 . 25778 1 576 . 1 1 51 51 TRP HE3 H 1 7.756 0.02 . 1 . . . A 51 TRP HE3 . 25778 1 577 . 1 1 51 51 TRP HZ2 H 1 7.513 0.02 . 1 . . . A 51 TRP HZ2 . 25778 1 578 . 1 1 51 51 TRP HZ3 H 1 7.211 0.02 . 1 . . . A 51 TRP HZ3 . 25778 1 579 . 1 1 51 51 TRP HH2 H 1 7.225 0.02 . 1 . . . A 51 TRP HH2 . 25778 1 580 . 1 1 51 51 TRP CA C 13 53.819 0.3 . 1 . . . A 51 TRP CA . 25778 1 581 . 1 1 51 51 TRP CB C 13 30.432 0.3 . 1 . . . A 51 TRP CB . 25778 1 582 . 1 1 51 51 TRP CD1 C 13 128.113 0.3 . 1 . . . A 51 TRP CD1 . 25778 1 583 . 1 1 51 51 TRP CE3 C 13 120.765 0.3 . 1 . . . A 51 TRP CE3 . 25778 1 584 . 1 1 51 51 TRP CZ2 C 13 115.278 0.3 . 1 . . . A 51 TRP CZ2 . 25778 1 585 . 1 1 51 51 TRP CZ3 C 13 122.066 0.3 . 1 . . . A 51 TRP CZ3 . 25778 1 586 . 1 1 51 51 TRP CH2 C 13 124.386 0.3 . 1 . . . A 51 TRP CH2 . 25778 1 587 . 1 1 51 51 TRP N N 15 120.956 0.2 . 1 . . . A 51 TRP N . 25778 1 588 . 1 1 51 51 TRP NE1 N 15 129.457 0.2 . 1 . . . A 51 TRP NE1 . 25778 1 589 . 1 1 52 52 PRO HA H 1 4.187 0.02 . 1 . . . A 52 PRO HA . 25778 1 590 . 1 1 52 52 PRO HB2 H 1 2.471 0.02 . 2 . . . A 52 PRO HB2 . 25778 1 591 . 1 1 52 52 PRO HB3 H 1 2.134 0.02 . 2 . . . A 52 PRO HB3 . 25778 1 592 . 1 1 52 52 PRO HG2 H 1 2.374 0.02 . 2 . . . A 52 PRO HG2 . 25778 1 593 . 1 1 52 52 PRO HG3 H 1 2.179 0.02 . 2 . . . A 52 PRO HG3 . 25778 1 594 . 1 1 52 52 PRO HD2 H 1 4.309 0.02 . 2 . . . A 52 PRO HD2 . 25778 1 595 . 1 1 52 52 PRO HD3 H 1 4.271 0.02 . 2 . . . A 52 PRO HD3 . 25778 1 596 . 1 1 52 52 PRO C C 13 178.771 0.3 . 1 . . . A 52 PRO C . 25778 1 597 . 1 1 52 52 PRO CA C 13 66.379 0.3 . 1 . . . A 52 PRO CA . 25778 1 598 . 1 1 52 52 PRO CB C 13 32.088 0.3 . 1 . . . A 52 PRO CB . 25778 1 599 . 1 1 52 52 PRO CG C 13 27.817 0.3 . 1 . . . A 52 PRO CG . 25778 1 600 . 1 1 52 52 PRO CD C 13 51.356 0.3 . 1 . . . A 52 PRO CD . 25778 1 601 . 1 1 53 53 LYS H H 1 8.716 0.02 . 1 . . . A 53 LYS H . 25778 1 602 . 1 1 53 53 LYS HA H 1 3.973 0.02 . 1 . . . A 53 LYS HA . 25778 1 603 . 1 1 53 53 LYS HB2 H 1 1.529 0.02 . 2 . . . A 53 LYS HB2 . 25778 1 604 . 1 1 53 53 LYS HB3 H 1 1.939 0.02 . 2 . . . A 53 LYS HB3 . 25778 1 605 . 1 1 53 53 LYS HG2 H 1 1.394 0.02 . 2 . . . A 53 LYS HG2 . 25778 1 606 . 1 1 53 53 LYS HG3 H 1 1.316 0.02 . 2 . . . A 53 LYS HG3 . 25778 1 607 . 1 1 53 53 LYS HD2 H 1 1.643 0.02 . 2 . . . A 53 LYS HD2 . 25778 1 608 . 1 1 53 53 LYS HD3 H 1 1.593 0.02 . 2 . . . A 53 LYS HD3 . 25778 1 609 . 1 1 53 53 LYS HE2 H 1 3.030 0.02 . 2 . . . A 53 LYS HE2 . 25778 1 610 . 1 1 53 53 LYS HE3 H 1 2.982 0.02 . 2 . . . A 53 LYS HE3 . 25778 1 611 . 1 1 53 53 LYS C C 13 177.324 0.3 . 1 . . . A 53 LYS C . 25778 1 612 . 1 1 53 53 LYS CA C 13 59.885 0.3 . 1 . . . A 53 LYS CA . 25778 1 613 . 1 1 53 53 LYS CB C 13 33.461 0.3 . 1 . . . A 53 LYS CB . 25778 1 614 . 1 1 53 53 LYS CG C 13 24.665 0.3 . 1 . . . A 53 LYS CG . 25778 1 615 . 1 1 53 53 LYS CD C 13 29.797 0.3 . 1 . . . A 53 LYS CD . 25778 1 616 . 1 1 53 53 LYS CE C 13 44.767 0.3 . 1 . . . A 53 LYS CE . 25778 1 617 . 1 1 53 53 LYS N N 15 117.078 0.2 . 1 . . . A 53 LYS N . 25778 1 618 . 1 1 54 54 ASP H H 1 7.118 0.02 . 1 . . . A 54 ASP H . 25778 1 619 . 1 1 54 54 ASP HA H 1 4.505 0.02 . 1 . . . A 54 ASP HA . 25778 1 620 . 1 1 54 54 ASP HB2 H 1 2.724 0.02 . 2 . . . A 54 ASP HB2 . 25778 1 621 . 1 1 54 54 ASP HB3 H 1 3.408 0.02 . 2 . . . A 54 ASP HB3 . 25778 1 622 . 1 1 54 54 ASP C C 13 178.760 0.3 . 1 . . . A 54 ASP C . 25778 1 623 . 1 1 54 54 ASP CA C 13 56.871 0.3 . 1 . . . A 54 ASP CA . 25778 1 624 . 1 1 54 54 ASP CB C 13 41.683 0.3 . 1 . . . A 54 ASP CB . 25778 1 625 . 1 1 54 54 ASP N N 15 117.718 0.2 . 1 . . . A 54 ASP N . 25778 1 626 . 1 1 55 55 LYS H H 1 7.707 0.02 . 1 . . . A 55 LYS H . 25778 1 627 . 1 1 55 55 LYS HA H 1 3.979 0.02 . 1 . . . A 55 LYS HA . 25778 1 628 . 1 1 55 55 LYS HB2 H 1 1.908 0.02 . 2 . . . A 55 LYS HB2 . 25778 1 629 . 1 1 55 55 LYS HB3 H 1 1.908 0.02 . 2 . . . A 55 LYS HB3 . 25778 1 630 . 1 1 55 55 LYS HG2 H 1 1.420 0.02 . 2 . . . A 55 LYS HG2 . 25778 1 631 . 1 1 55 55 LYS HG3 H 1 1.331 0.02 . 2 . . . A 55 LYS HG3 . 25778 1 632 . 1 1 55 55 LYS HD2 H 1 1.670 0.02 . 2 . . . A 55 LYS HD2 . 25778 1 633 . 1 1 55 55 LYS HD3 H 1 1.511 0.02 . 2 . . . A 55 LYS HD3 . 25778 1 634 . 1 1 55 55 LYS HE2 H 1 2.848 0.02 . 2 . . . A 55 LYS HE2 . 25778 1 635 . 1 1 55 55 LYS HE3 H 1 2.848 0.02 . 2 . . . A 55 LYS HE3 . 25778 1 636 . 1 1 55 55 LYS C C 13 179.406 0.3 . 1 . . . A 55 LYS C . 25778 1 637 . 1 1 55 55 LYS CA C 13 59.239 0.3 . 1 . . . A 55 LYS CA . 25778 1 638 . 1 1 55 55 LYS CB C 13 32.767 0.3 . 1 . . . A 55 LYS CB . 25778 1 639 . 1 1 55 55 LYS CG C 13 26.200 0.3 . 1 . . . A 55 LYS CG . 25778 1 640 . 1 1 55 55 LYS CD C 13 29.653 0.3 . 1 . . . A 55 LYS CD . 25778 1 641 . 1 1 55 55 LYS CE C 13 42.386 0.3 . 1 . . . A 55 LYS CE . 25778 1 642 . 1 1 55 55 LYS N N 15 118.047 0.2 . 1 . . . A 55 LYS N . 25778 1 643 . 1 1 56 56 ARG H H 1 8.357 0.02 . 1 . . . A 56 ARG H . 25778 1 644 . 1 1 56 56 ARG HA H 1 4.118 0.02 . 1 . . . A 56 ARG HA . 25778 1 645 . 1 1 56 56 ARG HB2 H 1 1.924 0.02 . 2 . . . A 56 ARG HB2 . 25778 1 646 . 1 1 56 56 ARG HB3 H 1 1.924 0.02 . 2 . . . A 56 ARG HB3 . 25778 1 647 . 1 1 56 56 ARG HG2 H 1 1.734 0.02 . 2 . . . A 56 ARG HG2 . 25778 1 648 . 1 1 56 56 ARG HG3 H 1 1.638 0.02 . 2 . . . A 56 ARG HG3 . 25778 1 649 . 1 1 56 56 ARG HD2 H 1 3.240 0.02 . 2 . . . A 56 ARG HD2 . 25778 1 650 . 1 1 56 56 ARG HD3 H 1 3.240 0.02 . 2 . . . A 56 ARG HD3 . 25778 1 651 . 1 1 56 56 ARG C C 13 178.202 0.3 . 1 . . . A 56 ARG C . 25778 1 652 . 1 1 56 56 ARG CA C 13 58.893 0.3 . 1 . . . A 56 ARG CA . 25778 1 653 . 1 1 56 56 ARG CB C 13 30.577 0.3 . 1 . . . A 56 ARG CB . 25778 1 654 . 1 1 56 56 ARG CG C 13 27.502 0.3 . 1 . . . A 56 ARG CG . 25778 1 655 . 1 1 56 56 ARG CD C 13 43.452 0.3 . 1 . . . A 56 ARG CD . 25778 1 656 . 1 1 56 56 ARG N N 15 119.454 0.2 . 1 . . . A 56 ARG N . 25778 1 657 . 1 1 57 57 GLU H H 1 8.115 0.02 . 1 . . . A 57 GLU H . 25778 1 658 . 1 1 57 57 GLU HA H 1 4.092 0.02 . 1 . . . A 57 GLU HA . 25778 1 659 . 1 1 57 57 GLU HB2 H 1 2.073 0.02 . 2 . . . A 57 GLU HB2 . 25778 1 660 . 1 1 57 57 GLU HB3 H 1 2.073 0.02 . 2 . . . A 57 GLU HB3 . 25778 1 661 . 1 1 57 57 GLU HG2 H 1 2.581 0.02 . 2 . . . A 57 GLU HG2 . 25778 1 662 . 1 1 57 57 GLU HG3 H 1 2.283 0.02 . 2 . . . A 57 GLU HG3 . 25778 1 663 . 1 1 57 57 GLU CA C 13 57.218 0.3 . 1 . . . A 57 GLU CA . 25778 1 664 . 1 1 57 57 GLU CB C 13 29.878 0.3 . 1 . . . A 57 GLU CB . 25778 1 665 . 1 1 57 57 GLU CG C 13 37.207 0.3 . 1 . . . A 57 GLU CG . 25778 1 666 . 1 1 57 57 GLU N N 15 116.713 0.2 . 1 . . . A 57 GLU N . 25778 1 667 . 1 1 58 58 LYS H H 1 7.752 0.02 . 1 . . . A 58 LYS H . 25778 1 668 . 1 1 58 58 LYS HA H 1 3.668 0.02 . 1 . . . A 58 LYS HA . 25778 1 669 . 1 1 58 58 LYS HB2 H 1 2.199 0.02 . 2 . . . A 58 LYS HB2 . 25778 1 670 . 1 1 58 58 LYS HB3 H 1 1.766 0.02 . 2 . . . A 58 LYS HB3 . 25778 1 671 . 1 1 58 58 LYS HG2 H 1 1.348 0.02 . 2 . . . A 58 LYS HG2 . 25778 1 672 . 1 1 58 58 LYS HG3 H 1 1.334 0.02 . 2 . . . A 58 LYS HG3 . 25778 1 673 . 1 1 58 58 LYS HD2 H 1 1.665 0.02 . 2 . . . A 58 LYS HD2 . 25778 1 674 . 1 1 58 58 LYS HD3 H 1 1.665 0.02 . 2 . . . A 58 LYS HD3 . 25778 1 675 . 1 1 58 58 LYS HE2 H 1 3.031 0.02 . 2 . . . A 58 LYS HE2 . 25778 1 676 . 1 1 58 58 LYS HE3 H 1 3.031 0.02 . 2 . . . A 58 LYS HE3 . 25778 1 677 . 1 1 58 58 LYS C C 13 174.596 0.3 . 1 . . . A 58 LYS C . 25778 1 678 . 1 1 58 58 LYS CA C 13 57.062 0.3 . 1 . . . A 58 LYS CA . 25778 1 679 . 1 1 58 58 LYS CB C 13 29.015 0.3 . 1 . . . A 58 LYS CB . 25778 1 680 . 1 1 58 58 LYS CG C 13 24.809 0.3 . 1 . . . A 58 LYS CG . 25778 1 681 . 1 1 58 58 LYS CD C 13 29.510 0.3 . 1 . . . A 58 LYS CD . 25778 1 682 . 1 1 58 58 LYS CE C 13 42.375 0.3 . 1 . . . A 58 LYS CE . 25778 1 683 . 1 1 58 58 LYS N N 15 115.386 0.2 . 1 . . . A 58 LYS N . 25778 1 684 . 1 1 59 59 VAL H H 1 7.468 0.02 . 1 . . . A 59 VAL H . 25778 1 685 . 1 1 59 59 VAL HA H 1 4.278 0.02 . 1 . . . A 59 VAL HA . 25778 1 686 . 1 1 59 59 VAL HB H 1 1.922 0.02 . 1 . . . A 59 VAL HB . 25778 1 687 . 1 1 59 59 VAL HG11 H 1 0.867 0.02 . 2 . . . A 59 VAL HG11 . 25778 1 688 . 1 1 59 59 VAL HG12 H 1 0.867 0.02 . 2 . . . A 59 VAL HG12 . 25778 1 689 . 1 1 59 59 VAL HG13 H 1 0.867 0.02 . 2 . . . A 59 VAL HG13 . 25778 1 690 . 1 1 59 59 VAL HG21 H 1 0.853 0.02 . 2 . . . A 59 VAL HG21 . 25778 1 691 . 1 1 59 59 VAL HG22 H 1 0.853 0.02 . 2 . . . A 59 VAL HG22 . 25778 1 692 . 1 1 59 59 VAL HG23 H 1 0.853 0.02 . 2 . . . A 59 VAL HG23 . 25778 1 693 . 1 1 59 59 VAL C C 13 173.825 0.3 . 1 . . . A 59 VAL C . 25778 1 694 . 1 1 59 59 VAL CA C 13 60.867 0.3 . 1 . . . A 59 VAL CA . 25778 1 695 . 1 1 59 59 VAL CB C 13 35.120 0.3 . 1 . . . A 59 VAL CB . 25778 1 696 . 1 1 59 59 VAL CG1 C 13 21.480 0.3 . 2 . . . A 59 VAL CG1 . 25778 1 697 . 1 1 59 59 VAL CG2 C 13 20.809 0.3 . 2 . . . A 59 VAL CG2 . 25778 1 698 . 1 1 59 59 VAL N N 15 117.088 0.2 . 1 . . . A 59 VAL N . 25778 1 699 . 1 1 60 60 ASP H H 1 7.998 0.02 . 1 . . . A 60 ASP H . 25778 1 700 . 1 1 60 60 ASP HA H 1 4.510 0.02 . 1 . . . A 60 ASP HA . 25778 1 701 . 1 1 60 60 ASP HB2 H 1 2.778 0.02 . 2 . . . A 60 ASP HB2 . 25778 1 702 . 1 1 60 60 ASP HB3 H 1 2.730 0.02 . 2 . . . A 60 ASP HB3 . 25778 1 703 . 1 1 60 60 ASP C C 13 176.358 0.3 . 1 . . . A 60 ASP C . 25778 1 704 . 1 1 60 60 ASP CA C 13 54.875 0.3 . 1 . . . A 60 ASP CA . 25778 1 705 . 1 1 60 60 ASP CB C 13 42.428 0.3 . 1 . . . A 60 ASP CB . 25778 1 706 . 1 1 60 60 ASP N N 15 124.265 0.2 . 1 . . . A 60 ASP N . 25778 1 707 . 1 1 61 61 ARG H H 1 9.166 0.02 . 1 . . . A 61 ARG H . 25778 1 708 . 1 1 61 61 ARG HA H 1 5.348 0.02 . 1 . . . A 61 ARG HA . 25778 1 709 . 1 1 61 61 ARG HB2 H 1 1.435 0.02 . 2 . . . A 61 ARG HB2 . 25778 1 710 . 1 1 61 61 ARG HB3 H 1 1.620 0.02 . 2 . . . A 61 ARG HB3 . 25778 1 711 . 1 1 61 61 ARG HG2 H 1 1.338 0.02 . 2 . . . A 61 ARG HG2 . 25778 1 712 . 1 1 61 61 ARG HG3 H 1 1.557 0.02 . 2 . . . A 61 ARG HG3 . 25778 1 713 . 1 1 61 61 ARG HD2 H 1 3.287 0.02 . 2 . . . A 61 ARG HD2 . 25778 1 714 . 1 1 61 61 ARG HD3 H 1 3.235 0.02 . 2 . . . A 61 ARG HD3 . 25778 1 715 . 1 1 61 61 ARG C C 13 177.503 0.3 . 1 . . . A 61 ARG C . 25778 1 716 . 1 1 61 61 ARG CA C 13 55.161 0.3 . 1 . . . A 61 ARG CA . 25778 1 717 . 1 1 61 61 ARG CB C 13 36.924 0.3 . 1 . . . A 61 ARG CB . 25778 1 718 . 1 1 61 61 ARG CG C 13 29.256 0.3 . 1 . . . A 61 ARG CG . 25778 1 719 . 1 1 61 61 ARG CD C 13 43.441 0.3 . 1 . . . A 61 ARG CD . 25778 1 720 . 1 1 61 61 ARG N N 15 120.787 0.2 . 1 . . . A 61 ARG N . 25778 1 721 . 1 1 62 62 CYS H H 1 8.813 0.02 . 1 . . . A 62 CYS H . 25778 1 722 . 1 1 62 62 CYS HA H 1 5.537 0.02 . 1 . . . A 62 CYS HA . 25778 1 723 . 1 1 62 62 CYS HB2 H 1 3.401 0.02 . 2 . . . A 62 CYS HB2 . 25778 1 724 . 1 1 62 62 CYS HB3 H 1 2.878 0.02 . 2 . . . A 62 CYS HB3 . 25778 1 725 . 1 1 62 62 CYS C C 13 177.442 0.3 . 1 . . . A 62 CYS C . 25778 1 726 . 1 1 62 62 CYS CA C 13 55.070 0.3 . 1 . . . A 62 CYS CA . 25778 1 727 . 1 1 62 62 CYS CB C 13 38.199 0.3 . 1 . . . A 62 CYS CB . 25778 1 728 . 1 1 62 62 CYS N N 15 120.884 0.2 . 1 . . . A 62 CYS N . 25778 1 729 . 1 1 63 63 TYR H H 1 9.065 0.02 . 1 . . . A 63 TYR H . 25778 1 730 . 1 1 63 63 TYR HA H 1 4.991 0.02 . 1 . . . A 63 TYR HA . 25778 1 731 . 1 1 63 63 TYR HB2 H 1 3.098 0.02 . 2 . . . A 63 TYR HB2 . 25778 1 732 . 1 1 63 63 TYR HB3 H 1 2.842 0.02 . 2 . . . A 63 TYR HB3 . 25778 1 733 . 1 1 63 63 TYR HD1 H 1 6.890 0.02 . 3 . . . A 63 TYR HD1 . 25778 1 734 . 1 1 63 63 TYR HD2 H 1 6.890 0.02 . 3 . . . A 63 TYR HD2 . 25778 1 735 . 1 1 63 63 TYR HE1 H 1 6.311 0.02 . 3 . . . A 63 TYR HE1 . 25778 1 736 . 1 1 63 63 TYR HE2 H 1 6.311 0.02 . 3 . . . A 63 TYR HE2 . 25778 1 737 . 1 1 63 63 TYR C C 13 173.066 0.3 . 1 . . . A 63 TYR C . 25778 1 738 . 1 1 63 63 TYR CA C 13 56.849 0.3 . 1 . . . A 63 TYR CA . 25778 1 739 . 1 1 63 63 TYR CB C 13 42.027 0.3 . 1 . . . A 63 TYR CB . 25778 1 740 . 1 1 63 63 TYR CD1 C 13 134.657 0.3 . 1 . . . A 63 TYR CD1 . 25778 1 741 . 1 1 63 63 TYR CD2 C 13 134.657 0.3 . 1 . . . A 63 TYR CD2 . 25778 1 742 . 1 1 63 63 TYR CE1 C 13 116.870 0.3 . 1 . . . A 63 TYR CE1 . 25778 1 743 . 1 1 63 63 TYR CE2 C 13 116.870 0.3 . 1 . . . A 63 TYR CE2 . 25778 1 744 . 1 1 63 63 TYR N N 15 122.099 0.2 . 1 . . . A 63 TYR N . 25778 1 745 . 1 1 64 64 ILE H H 1 8.471 0.02 . 1 . . . A 64 ILE H . 25778 1 746 . 1 1 64 64 ILE HA H 1 4.835 0.02 . 1 . . . A 64 ILE HA . 25778 1 747 . 1 1 64 64 ILE HB H 1 1.752 0.02 . 1 . . . A 64 ILE HB . 25778 1 748 . 1 1 64 64 ILE HG12 H 1 1.017 0.02 . 2 . . . A 64 ILE HG12 . 25778 1 749 . 1 1 64 64 ILE HG13 H 1 1.591 0.02 . 2 . . . A 64 ILE HG13 . 25778 1 750 . 1 1 64 64 ILE HG21 H 1 0.764 0.02 . 1 . . . A 64 ILE HG21 . 25778 1 751 . 1 1 64 64 ILE HG22 H 1 0.764 0.02 . 1 . . . A 64 ILE HG22 . 25778 1 752 . 1 1 64 64 ILE HG23 H 1 0.764 0.02 . 1 . . . A 64 ILE HG23 . 25778 1 753 . 1 1 64 64 ILE HD11 H 1 0.675 0.02 . 1 . . . A 64 ILE HD11 . 25778 1 754 . 1 1 64 64 ILE HD12 H 1 0.675 0.02 . 1 . . . A 64 ILE HD12 . 25778 1 755 . 1 1 64 64 ILE HD13 H 1 0.675 0.02 . 1 . . . A 64 ILE HD13 . 25778 1 756 . 1 1 64 64 ILE C C 13 175.853 0.3 . 1 . . . A 64 ILE C . 25778 1 757 . 1 1 64 64 ILE CB C 13 41.912 0.3 . 1 . . . A 64 ILE CB . 25778 1 758 . 1 1 64 64 ILE CG1 C 13 28.636 0.3 . 1 . . . A 64 ILE CG1 . 25778 1 759 . 1 1 64 64 ILE CG2 C 13 18.208 0.3 . 1 . . . A 64 ILE CG2 . 25778 1 760 . 1 1 64 64 ILE CD1 C 13 13.810 0.3 . 1 . . . A 64 ILE CD1 . 25778 1 761 . 1 1 64 64 ILE N N 15 119.909 0.2 . 1 . . . A 64 ILE N . 25778 1 762 . 1 1 65 65 CYS H H 1 8.227 0.02 . 1 . . . A 65 CYS H . 25778 1 763 . 1 1 65 65 CYS HA H 1 5.627 0.02 . 1 . . . A 65 CYS HA . 25778 1 764 . 1 1 65 65 CYS HB2 H 1 3.163 0.02 . 2 . . . A 65 CYS HB2 . 25778 1 765 . 1 1 65 65 CYS HB3 H 1 2.394 0.02 . 2 . . . A 65 CYS HB3 . 25778 1 766 . 1 1 65 65 CYS C C 13 173.189 0.3 . 1 . . . A 65 CYS C . 25778 1 767 . 1 1 65 65 CYS CA C 13 55.479 0.3 . 1 . . . A 65 CYS CA . 25778 1 768 . 1 1 65 65 CYS CB C 13 49.868 0.3 . 1 . . . A 65 CYS CB . 25778 1 769 . 1 1 65 65 CYS N N 15 121.445 0.2 . 1 . . . A 65 CYS N . 25778 1 770 . 1 1 66 66 ASN H H 1 8.851 0.02 . 1 . . . A 66 ASN H . 25778 1 771 . 1 1 66 66 ASN HA H 1 4.867 0.02 . 1 . . . A 66 ASN HA . 25778 1 772 . 1 1 66 66 ASN HB2 H 1 3.572 0.02 . 2 . . . A 66 ASN HB2 . 25778 1 773 . 1 1 66 66 ASN HB3 H 1 2.887 0.02 . 2 . . . A 66 ASN HB3 . 25778 1 774 . 1 1 66 66 ASN HD21 H 1 7.906 0.02 . 2 . . . A 66 ASN HD21 . 25778 1 775 . 1 1 66 66 ASN HD22 H 1 6.965 0.02 . 2 . . . A 66 ASN HD22 . 25778 1 776 . 1 1 66 66 ASN C C 13 176.131 0.3 . 1 . . . A 66 ASN C . 25778 1 777 . 1 1 66 66 ASN CA C 13 52.671 0.3 . 1 . . . A 66 ASN CA . 25778 1 778 . 1 1 66 66 ASN CB C 13 37.047 0.3 . 1 . . . A 66 ASN CB . 25778 1 779 . 1 1 66 66 ASN N N 15 116.965 0.2 . 1 . . . A 66 ASN N . 25778 1 780 . 1 1 66 66 ASN ND2 N 15 110.308 0.2 . 1 . . . A 66 ASN ND2 . 25778 1 781 . 1 1 67 67 ASN H H 1 8.034 0.02 . 1 . . . A 67 ASN H . 25778 1 782 . 1 1 67 67 ASN HA H 1 4.628 0.02 . 1 . . . A 67 ASN HA . 25778 1 783 . 1 1 67 67 ASN HB2 H 1 2.784 0.02 . 2 . . . A 67 ASN HB2 . 25778 1 784 . 1 1 67 67 ASN HB3 H 1 2.739 0.02 . 2 . . . A 67 ASN HB3 . 25778 1 785 . 1 1 67 67 ASN HD21 H 1 7.618 0.02 . 2 . . . A 67 ASN HD21 . 25778 1 786 . 1 1 67 67 ASN HD22 H 1 6.749 0.02 . 2 . . . A 67 ASN HD22 . 25778 1 787 . 1 1 67 67 ASN C C 13 177.594 0.3 . 1 . . . A 67 ASN C . 25778 1 788 . 1 1 67 67 ASN CA C 13 56.696 0.3 . 1 . . . A 67 ASN CA . 25778 1 789 . 1 1 67 67 ASN CB C 13 37.563 0.3 . 1 . . . A 67 ASN CB . 25778 1 790 . 1 1 67 67 ASN N N 15 120.024 0.2 . 1 . . . A 67 ASN N . 25778 1 791 . 1 1 67 67 ASN ND2 N 15 110.825 0.2 . 1 . . . A 67 ASN ND2 . 25778 1 792 . 1 1 68 68 GLU H H 1 9.147 0.02 . 1 . . . A 68 GLU H . 25778 1 793 . 1 1 68 68 GLU HA H 1 4.133 0.02 . 1 . . . A 68 GLU HA . 25778 1 794 . 1 1 68 68 GLU HB2 H 1 2.120 0.02 . 2 . . . A 68 GLU HB2 . 25778 1 795 . 1 1 68 68 GLU HB3 H 1 2.005 0.02 . 2 . . . A 68 GLU HB3 . 25778 1 796 . 1 1 68 68 GLU HG2 H 1 2.473 0.02 . 2 . . . A 68 GLU HG2 . 25778 1 797 . 1 1 68 68 GLU HG3 H 1 2.331 0.02 . 2 . . . A 68 GLU HG3 . 25778 1 798 . 1 1 68 68 GLU C C 13 175.401 0.3 . 1 . . . A 68 GLU C . 25778 1 799 . 1 1 68 68 GLU CA C 13 57.911 0.3 . 1 . . . A 68 GLU CA . 25778 1 800 . 1 1 68 68 GLU CB C 13 29.601 0.3 . 1 . . . A 68 GLU CB . 25778 1 801 . 1 1 68 68 GLU CG C 13 37.317 0.3 . 1 . . . A 68 GLU CG . 25778 1 802 . 1 1 68 68 GLU N N 15 116.745 0.2 . 1 . . . A 68 GLU N . 25778 1 803 . 1 1 69 69 LYS H H 1 8.460 0.02 . 1 . . . A 69 LYS H . 25778 1 804 . 1 1 69 69 LYS HA H 1 3.672 0.02 . 1 . . . A 69 LYS HA . 25778 1 805 . 1 1 69 69 LYS HB2 H 1 2.104 0.02 . 2 . . . A 69 LYS HB2 . 25778 1 806 . 1 1 69 69 LYS HB3 H 1 2.078 0.02 . 2 . . . A 69 LYS HB3 . 25778 1 807 . 1 1 69 69 LYS HG2 H 1 1.686 0.02 . 2 . . . A 69 LYS HG2 . 25778 1 808 . 1 1 69 69 LYS HG3 H 1 1.575 0.02 . 2 . . . A 69 LYS HG3 . 25778 1 809 . 1 1 69 69 LYS HD2 H 1 1.882 0.02 . 2 . . . A 69 LYS HD2 . 25778 1 810 . 1 1 69 69 LYS HD3 H 1 1.754 0.02 . 2 . . . A 69 LYS HD3 . 25778 1 811 . 1 1 69 69 LYS HE2 H 1 2.969 0.02 . 2 . . . A 69 LYS HE2 . 25778 1 812 . 1 1 69 69 LYS HE3 H 1 2.969 0.02 . 2 . . . A 69 LYS HE3 . 25778 1 813 . 1 1 69 69 LYS C C 13 175.378 0.3 . 1 . . . A 69 LYS C . 25778 1 814 . 1 1 69 69 LYS CA C 13 58.499 0.3 . 1 . . . A 69 LYS CA . 25778 1 815 . 1 1 69 69 LYS CB C 13 28.959 0.3 . 1 . . . A 69 LYS CB . 25778 1 816 . 1 1 69 69 LYS CG C 13 25.615 0.3 . 1 . . . A 69 LYS CG . 25778 1 817 . 1 1 69 69 LYS CD C 13 29.805 0.3 . 1 . . . A 69 LYS CD . 25778 1 818 . 1 1 69 69 LYS CE C 13 42.029 0.3 . 1 . . . A 69 LYS CE . 25778 1 819 . 1 1 69 69 LYS N N 15 116.160 0.2 . 1 . . . A 69 LYS N . 25778 1 820 . 1 1 70 70 THR H H 1 8.603 0.02 . 1 . . . A 70 THR H . 25778 1 821 . 1 1 70 70 THR HA H 1 4.359 0.02 . 1 . . . A 70 THR HA . 25778 1 822 . 1 1 70 70 THR HB H 1 4.412 0.02 . 1 . . . A 70 THR HB . 25778 1 823 . 1 1 70 70 THR HG21 H 1 1.180 0.02 . 1 . . . A 70 THR HG21 . 25778 1 824 . 1 1 70 70 THR HG22 H 1 1.180 0.02 . 1 . . . A 70 THR HG22 . 25778 1 825 . 1 1 70 70 THR HG23 H 1 1.180 0.02 . 1 . . . A 70 THR HG23 . 25778 1 826 . 1 1 70 70 THR C C 13 175.227 0.3 . 1 . . . A 70 THR C . 25778 1 827 . 1 1 70 70 THR CA C 13 61.566 0.3 . 1 . . . A 70 THR CA . 25778 1 828 . 1 1 70 70 THR CB C 13 70.002 0.3 . 1 . . . A 70 THR CB . 25778 1 829 . 1 1 70 70 THR CG2 C 13 22.659 0.3 . 1 . . . A 70 THR CG2 . 25778 1 830 . 1 1 70 70 THR N N 15 108.541 0.2 . 1 . . . A 70 THR N . 25778 1 831 . 1 1 71 71 LEU H H 1 7.928 0.02 . 1 . . . A 71 LEU H . 25778 1 832 . 1 1 71 71 LEU HA H 1 4.709 0.02 . 1 . . . A 71 LEU HA . 25778 1 833 . 1 1 71 71 LEU HB2 H 1 1.562 0.02 . 2 . . . A 71 LEU HB2 . 25778 1 834 . 1 1 71 71 LEU HB3 H 1 1.379 0.02 . 2 . . . A 71 LEU HB3 . 25778 1 835 . 1 1 71 71 LEU HG H 1 1.442 0.02 . 1 . . . A 71 LEU HG . 25778 1 836 . 1 1 71 71 LEU HD11 H 1 0.853 0.02 . 2 . . . A 71 LEU HD11 . 25778 1 837 . 1 1 71 71 LEU HD12 H 1 0.853 0.02 . 2 . . . A 71 LEU HD12 . 25778 1 838 . 1 1 71 71 LEU HD13 H 1 0.853 0.02 . 2 . . . A 71 LEU HD13 . 25778 1 839 . 1 1 71 71 LEU HD21 H 1 0.974 0.02 . 2 . . . A 71 LEU HD21 . 25778 1 840 . 1 1 71 71 LEU HD22 H 1 0.974 0.02 . 2 . . . A 71 LEU HD22 . 25778 1 841 . 1 1 71 71 LEU HD23 H 1 0.974 0.02 . 2 . . . A 71 LEU HD23 . 25778 1 842 . 1 1 71 71 LEU C C 13 174.270 0.3 . 1 . . . A 71 LEU C . 25778 1 843 . 1 1 71 71 LEU CA C 13 55.425 0.3 . 1 . . . A 71 LEU CA . 25778 1 844 . 1 1 71 71 LEU CB C 13 44.679 0.3 . 1 . . . A 71 LEU CB . 25778 1 845 . 1 1 71 71 LEU CG C 13 27.435 0.3 . 1 . . . A 71 LEU CG . 25778 1 846 . 1 1 71 71 LEU CD1 C 13 26.169 0.3 . 2 . . . A 71 LEU CD1 . 25778 1 847 . 1 1 71 71 LEU CD2 C 13 23.939 0.3 . 2 . . . A 71 LEU CD2 . 25778 1 848 . 1 1 71 71 LEU N N 15 125.002 0.2 . 1 . . . A 71 LEU N . 25778 1 849 . 1 1 72 72 CYS H H 1 8.595 0.02 . 1 . . . A 72 CYS H . 25778 1 850 . 1 1 72 72 CYS HA H 1 5.864 0.02 . 1 . . . A 72 CYS HA . 25778 1 851 . 1 1 72 72 CYS HB2 H 1 2.995 0.02 . 2 . . . A 72 CYS HB2 . 25778 1 852 . 1 1 72 72 CYS HB3 H 1 2.959 0.02 . 2 . . . A 72 CYS HB3 . 25778 1 853 . 1 1 72 72 CYS C C 13 174.001 0.3 . 1 . . . A 72 CYS C . 25778 1 854 . 1 1 72 72 CYS CA C 13 55.301 0.3 . 1 . . . A 72 CYS CA . 25778 1 855 . 1 1 72 72 CYS CB C 13 51.331 0.3 . 1 . . . A 72 CYS CB . 25778 1 856 . 1 1 72 72 CYS N N 15 122.098 0.2 . 1 . . . A 72 CYS N . 25778 1 857 . 1 1 73 73 THR H H 1 8.975 0.02 . 1 . . . A 73 THR H . 25778 1 858 . 1 1 73 73 THR HA H 1 4.224 0.02 . 1 . . . A 73 THR HA . 25778 1 859 . 1 1 73 73 THR HB H 1 4.393 0.02 . 1 . . . A 73 THR HB . 25778 1 860 . 1 1 73 73 THR HG21 H 1 1.570 0.02 . 1 . . . A 73 THR HG21 . 25778 1 861 . 1 1 73 73 THR HG22 H 1 1.570 0.02 . 1 . . . A 73 THR HG22 . 25778 1 862 . 1 1 73 73 THR HG23 H 1 1.570 0.02 . 1 . . . A 73 THR HG23 . 25778 1 863 . 1 1 73 73 THR C C 13 173.785 0.3 . 1 . . . A 73 THR C . 25778 1 864 . 1 1 73 73 THR CA C 13 63.047 0.3 . 1 . . . A 73 THR CA . 25778 1 865 . 1 1 73 73 THR CB C 13 70.775 0.3 . 1 . . . A 73 THR CB . 25778 1 866 . 1 1 73 73 THR CG2 C 13 23.753 0.3 . 1 . . . A 73 THR CG2 . 25778 1 867 . 1 1 73 73 THR N N 15 113.928 0.2 . 1 . . . A 73 THR N . 25778 1 868 . 1 1 74 74 SER H H 1 8.285 0.02 . 1 . . . A 74 SER H . 25778 1 869 . 1 1 74 74 SER HA H 1 4.353 0.02 . 1 . . . A 74 SER HA . 25778 1 870 . 1 1 74 74 SER HB2 H 1 3.919 0.02 . 2 . . . A 74 SER HB2 . 25778 1 871 . 1 1 74 74 SER HB3 H 1 3.878 0.02 . 2 . . . A 74 SER HB3 . 25778 1 872 . 1 1 74 74 SER C C 13 175.264 0.3 . 1 . . . A 74 SER C . 25778 1 873 . 1 1 74 74 SER CA C 13 58.287 0.3 . 1 . . . A 74 SER CA . 25778 1 874 . 1 1 74 74 SER CB C 13 64.606 0.3 . 1 . . . A 74 SER CB . 25778 1 875 . 1 1 74 74 SER N N 15 116.660 0.2 . 1 . . . A 74 SER N . 25778 1 876 . 1 1 75 75 VAL H H 1 7.632 0.02 . 1 . . . A 75 VAL H . 25778 1 877 . 1 1 75 75 VAL HA H 1 3.700 0.02 . 1 . . . A 75 VAL HA . 25778 1 878 . 1 1 75 75 VAL HB H 1 1.070 0.02 . 1 . . . A 75 VAL HB . 25778 1 879 . 1 1 75 75 VAL HG11 H 1 0.809 0.02 . 2 . . . A 75 VAL HG11 . 25778 1 880 . 1 1 75 75 VAL HG12 H 1 0.809 0.02 . 2 . . . A 75 VAL HG12 . 25778 1 881 . 1 1 75 75 VAL HG13 H 1 0.809 0.02 . 2 . . . A 75 VAL HG13 . 25778 1 882 . 1 1 75 75 VAL HG21 H 1 0.558 0.02 . 2 . . . A 75 VAL HG21 . 25778 1 883 . 1 1 75 75 VAL HG22 H 1 0.558 0.02 . 2 . . . A 75 VAL HG22 . 25778 1 884 . 1 1 75 75 VAL HG23 H 1 0.558 0.02 . 2 . . . A 75 VAL HG23 . 25778 1 885 . 1 1 75 75 VAL C C 13 174.200 0.3 . 1 . . . A 75 VAL C . 25778 1 886 . 1 1 75 75 VAL CA C 13 62.391 0.3 . 1 . . . A 75 VAL CA . 25778 1 887 . 1 1 75 75 VAL CB C 13 32.342 0.3 . 1 . . . A 75 VAL CB . 25778 1 888 . 1 1 75 75 VAL CG1 C 13 22.094 0.3 . 2 . . . A 75 VAL CG1 . 25778 1 889 . 1 1 75 75 VAL CG2 C 13 19.946 0.3 . 2 . . . A 75 VAL CG2 . 25778 1 890 . 1 1 75 75 VAL N N 15 121.894 0.2 . 1 . . . A 75 VAL N . 25778 1 891 . 1 1 76 76 MET H H 1 7.504 0.02 . 1 . . . A 76 MET H . 25778 1 892 . 1 1 76 76 MET HA H 1 4.159 0.02 . 1 . . . A 76 MET HA . 25778 1 893 . 1 1 76 76 MET HB2 H 1 1.943 0.02 . 2 . . . A 76 MET HB2 . 25778 1 894 . 1 1 76 76 MET HB3 H 1 1.882 0.02 . 2 . . . A 76 MET HB3 . 25778 1 895 . 1 1 76 76 MET HG2 H 1 2.408 0.02 . 2 . . . A 76 MET HG2 . 25778 1 896 . 1 1 76 76 MET HG3 H 1 2.408 0.02 . 2 . . . A 76 MET HG3 . 25778 1 897 . 1 1 76 76 MET HE1 H 1 2.032 0.02 . 1 . . . A 76 MET HE1 . 25778 1 898 . 1 1 76 76 MET HE2 H 1 2.032 0.02 . 1 . . . A 76 MET HE2 . 25778 1 899 . 1 1 76 76 MET HE3 H 1 2.032 0.02 . 1 . . . A 76 MET HE3 . 25778 1 900 . 1 1 76 76 MET CA C 13 56.886 0.3 . 1 . . . A 76 MET CA . 25778 1 901 . 1 1 76 76 MET CB C 13 34.440 0.3 . 1 . . . A 76 MET CB . 25778 1 902 . 1 1 76 76 MET CG C 13 32.172 0.3 . 1 . . . A 76 MET CG . 25778 1 903 . 1 1 76 76 MET CE C 13 17.116 0.3 . 1 . . . A 76 MET CE . 25778 1 904 . 1 1 76 76 MET N N 15 125.876 0.2 . 1 . . . A 76 MET N . 25778 1 stop_ save_