data_4812 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4812 _Entry.Title ; 1H Chemical Shift Assignments for Weak Toxin WTX from Naja kaouthia venom ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-08-24 _Entry.Accession_date 2000-08-24 _Entry.Last_release_date 2000-11-13 _Entry.Original_release_date 2000-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Alexander Eletsky . V. . 4812 2 Alexander Arseniev . S. . 4812 3 Innokenty Maslennikov . V. . 4812 4 Victoria Kukhtina . V. . 4812 5 Yuri Utkin . N. . 4812 6 Victor Tsetlin . I. . 4812 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4812 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 919 4812 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 . . 2000-11-13 2000-08-24 original author . 4812 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4812 _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 ; Structure and Conformational Heterogeneity of a Weak Toxin from Naja kaouthia venom ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Boorg. Khim.' _Citation.Journal_name_full 'Russian Journal of Bioorganic Chemistry' _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.Entry_ID _Citation_author.Citation_ID 1 Alexander Eletsky . V. . 4812 1 2 Alexander Arseniev . S. . 4812 1 3 Innokenty Maslennikov . V. . 4812 1 4 Victoria Kukhtina . V. . 4812 1 5 Yuri Utkin . N. . 4812 1 6 Victor Tsetlin . I. . 4812 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cis-trans isomerism.' 4812 1 'conformational heterogeneity' 4812 1 NMR 4812 1 proteins 4812 1 'secondary structure' 4812 1 'weak toxins' 4812 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_WTX _Assembly.Sf_category assembly _Assembly.Sf_framecode system_WTX _Assembly.Entry_ID 4812 _Assembly.ID 1 _Assembly.Name 'weak toxin WTX' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bond' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4812 1 stop_ 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 tWTX 1 $WTX . . . native . . . . . 4812 1 2 cWTX 1 $WTX . . . native . . . . . 4812 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 3 3 SG . 1 . 1 CYS 24 24 SG . . . . . . . . . . 4812 1 2 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 11 11 SG . . . . . . . . . . 4812 1 3 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 4812 1 4 disulfide single . 1 . 1 CYS 46 46 SG . 1 . 1 CYS 57 57 SG . . . . . . . . . . 4812 1 5 disulfide single . 1 . 1 CYS 58 58 SG . 1 . 1 CYS 63 63 SG . . . . . . . . . . 4812 1 6 disulfide single . 2 . 1 CYS 3 3 SG . 2 . 1 CYS 24 24 SG . . . . . . . . . . 4812 1 7 disulfide single . 2 . 1 CYS 6 6 SG . 2 . 1 CYS 11 11 SG . . . . . . . . . . 4812 1 8 disulfide single . 2 . 1 CYS 17 17 SG . 2 . 1 CYS 42 42 SG . . . . . . . . . . 4812 1 9 disulfide single . 2 . 1 CYS 46 46 SG . 2 . 1 CYS 57 57 SG . . . . . . . . . . 4812 1 10 disulfide single . 2 . 1 CYS 58 58 SG . 2 . 1 CYS 63 63 SG . . . . . . . . . . 4812 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'weak toxin WTX' system 4812 1 WTX abbreviation 4812 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WTX _Entity.Sf_category entity _Entity.Sf_framecode WTX _Entity.Entry_ID 4812 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WTX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LTCLNCPEMFCGKFQICRNG EKICFKKLHQRRPLSWRYIR GCADTCPVGKPYEMIECCST DKCNR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 65 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bond' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7615 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Arg32-Pro33 peptide bond is involved in cis-trans isomerization. tWTX has trans configuration of this peptide bond, cWTX has cis configuration of this peptide bond. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . SWISS-PROT P82935 . 'Weak tryptophan-containing neurotoxin (WTX)' . . . . . 100.00 65 100.00 100.00 1.21e-30 . . . . 4812 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WTX abbreviation 4812 1 WTX common 4812 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 4812 1 2 . THR . 4812 1 3 . CYS . 4812 1 4 . LEU . 4812 1 5 . ASN . 4812 1 6 . CYS . 4812 1 7 . PRO . 4812 1 8 . GLU . 4812 1 9 . MET . 4812 1 10 . PHE . 4812 1 11 . CYS . 4812 1 12 . GLY . 4812 1 13 . LYS . 4812 1 14 . PHE . 4812 1 15 . GLN . 4812 1 16 . ILE . 4812 1 17 . CYS . 4812 1 18 . ARG . 4812 1 19 . ASN . 4812 1 20 . GLY . 4812 1 21 . GLU . 4812 1 22 . LYS . 4812 1 23 . ILE . 4812 1 24 . CYS . 4812 1 25 . PHE . 4812 1 26 . LYS . 4812 1 27 . LYS . 4812 1 28 . LEU . 4812 1 29 . HIS . 4812 1 30 . GLN . 4812 1 31 . ARG . 4812 1 32 . ARG . 4812 1 33 . PRO . 4812 1 34 . LEU . 4812 1 35 . SER . 4812 1 36 . TRP . 4812 1 37 . ARG . 4812 1 38 . TYR . 4812 1 39 . ILE . 4812 1 40 . ARG . 4812 1 41 . GLY . 4812 1 42 . CYS . 4812 1 43 . ALA . 4812 1 44 . ASP . 4812 1 45 . THR . 4812 1 46 . CYS . 4812 1 47 . PRO . 4812 1 48 . VAL . 4812 1 49 . GLY . 4812 1 50 . LYS . 4812 1 51 . PRO . 4812 1 52 . TYR . 4812 1 53 . GLU . 4812 1 54 . MET . 4812 1 55 . ILE . 4812 1 56 . GLU . 4812 1 57 . CYS . 4812 1 58 . CYS . 4812 1 59 . SER . 4812 1 60 . THR . 4812 1 61 . ASP . 4812 1 62 . LYS . 4812 1 63 . CYS . 4812 1 64 . ASN . 4812 1 65 . ARG . 4812 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 . LEU 1 1 4812 1 . THR 2 2 4812 1 . CYS 3 3 4812 1 . LEU 4 4 4812 1 . ASN 5 5 4812 1 . CYS 6 6 4812 1 . PRO 7 7 4812 1 . GLU 8 8 4812 1 . MET 9 9 4812 1 . PHE 10 10 4812 1 . CYS 11 11 4812 1 . GLY 12 12 4812 1 . LYS 13 13 4812 1 . PHE 14 14 4812 1 . GLN 15 15 4812 1 . ILE 16 16 4812 1 . CYS 17 17 4812 1 . ARG 18 18 4812 1 . ASN 19 19 4812 1 . GLY 20 20 4812 1 . GLU 21 21 4812 1 . LYS 22 22 4812 1 . ILE 23 23 4812 1 . CYS 24 24 4812 1 . PHE 25 25 4812 1 . LYS 26 26 4812 1 . LYS 27 27 4812 1 . LEU 28 28 4812 1 . HIS 29 29 4812 1 . GLN 30 30 4812 1 . ARG 31 31 4812 1 . ARG 32 32 4812 1 . PRO 33 33 4812 1 . LEU 34 34 4812 1 . SER 35 35 4812 1 . TRP 36 36 4812 1 . ARG 37 37 4812 1 . TYR 38 38 4812 1 . ILE 39 39 4812 1 . ARG 40 40 4812 1 . GLY 41 41 4812 1 . CYS 42 42 4812 1 . ALA 43 43 4812 1 . ASP 44 44 4812 1 . THR 45 45 4812 1 . CYS 46 46 4812 1 . PRO 47 47 4812 1 . VAL 48 48 4812 1 . GLY 49 49 4812 1 . LYS 50 50 4812 1 . PRO 51 51 4812 1 . TYR 52 52 4812 1 . GLU 53 53 4812 1 . MET 54 54 4812 1 . ILE 55 55 4812 1 . GLU 56 56 4812 1 . CYS 57 57 4812 1 . CYS 58 58 4812 1 . SER 59 59 4812 1 . THR 60 60 4812 1 . ASP 61 61 4812 1 . LYS 62 62 4812 1 . CYS 63 63 4812 1 . ASN 64 64 4812 1 . ARG 65 65 4812 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 4812 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $WTX . 8649 . . 'Naja kaouthia' 'monocled cobra' . . Eukaryota Metazoa Naja kaouthia . . . . . . . . . . . . . venom . . . . . . . 4812 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 4812 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $WTX . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4812 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_s1 _Sample.Sf_category sample _Sample.Sf_framecode s1 _Sample.Entry_ID 4812 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The two forms of the protein are in 1:1 molar ratio, i.e. tWTx 0.55mM and cWTX 0.55mM ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 WTX . . . 1 $WTX . . 1.10 . . mM . . . . 4812 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4812 _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 2.9 0.1 n/a 4812 1 temperature 313 0.5 K 4812 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4812 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4812 _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 NMR_spectrometer Varian Unity . 600 . . . 4812 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 4812 _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-1H DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4812 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4812 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4812 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4812 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4812 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4812 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4812 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'chemical shift reference is 4.65ppm for water at 40 degree C' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O proton . . . . ppm 4.65 internal direct . internal cylindrical parallel_to_Bo . . . . . . 4812 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_cWTX_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cWTX_shift_set _Assigned_chem_shift_list.Entry_ID 4812 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $s1 . 4812 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 . 2 1 1 1 LEU HA H 1 4.25 0.005 . 1 . . . . . . . . 4812 1 2 . 2 1 1 1 LEU HB2 H 1 1.53 0.005 . 1 . . . . . . . . 4812 1 3 . 2 1 1 1 LEU HB3 H 1 1.53 0.005 . 1 . . . . . . . . 4812 1 4 . 2 1 1 1 LEU HG H 1 1.53 0.005 . 1 . . . . . . . . 4812 1 5 . 2 1 1 1 LEU HD11 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 6 . 2 1 1 1 LEU HD12 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 7 . 2 1 1 1 LEU HD13 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 8 . 2 1 1 1 LEU HD21 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 9 . 2 1 1 1 LEU HD22 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 10 . 2 1 1 1 LEU HD23 H 1 0.78 0.005 . 1 . . . . . . . . 4812 1 11 . 2 1 2 2 THR H H 1 8.17 0.005 . 1 . . . . . . . . 4812 1 12 . 2 1 2 2 THR HA H 1 5.20 0.005 . 1 . . . . . . . . 4812 1 13 . 2 1 2 2 THR HB H 1 3.71 0.005 . 1 . . . . . . . . 4812 1 14 . 2 1 2 2 THR HG21 H 1 1.01 0.005 . 1 . . . . . . . . 4812 1 15 . 2 1 2 2 THR HG22 H 1 1.01 0.005 . 1 . . . . . . . . 4812 1 16 . 2 1 2 2 THR HG23 H 1 1.01 0.005 . 1 . . . . . . . . 4812 1 17 . 2 1 3 3 CYS H H 1 8.63 0.005 . 1 . . . . . . . . 4812 1 18 . 2 1 3 3 CYS HA H 1 5.12 0.005 . 1 . . . . . . . . 4812 1 19 . 2 1 3 3 CYS HB2 H 1 2.63 0.005 . 2 . . . . . . . . 4812 1 20 . 2 1 3 3 CYS HB3 H 1 2.89 0.005 . 2 . . . . . . . . 4812 1 21 . 2 1 4 4 LEU H H 1 9.19 0.005 . 1 . . . . . . . . 4812 1 22 . 2 1 4 4 LEU HA H 1 4.80 0.005 . 1 . . . . . . . . 4812 1 23 . 2 1 4 4 LEU HB2 H 1 1.53 0.005 . 1 . . . . . . . . 4812 1 24 . 2 1 4 4 LEU HB3 H 1 1.53 0.005 . 1 . . . . . . . . 4812 1 25 . 2 1 4 4 LEU HG H 1 1.54 0.005 . 1 . . . . . . . . 4812 1 26 . 2 1 4 4 LEU HD11 H 1 0.84 0.005 . 2 . . . . . . . . 4812 1 27 . 2 1 4 4 LEU HD12 H 1 0.84 0.005 . 2 . . . . . . . . 4812 1 28 . 2 1 4 4 LEU HD13 H 1 0.84 0.005 . 2 . . . . . . . . 4812 1 29 . 2 1 4 4 LEU HD21 H 1 0.89 0.005 . 2 . . . . . . . . 4812 1 30 . 2 1 4 4 LEU HD22 H 1 0.89 0.005 . 2 . . . . . . . . 4812 1 31 . 2 1 4 4 LEU HD23 H 1 0.89 0.005 . 2 . . . . . . . . 4812 1 32 . 2 1 5 5 ASN H H 1 8.59 0.005 . 1 . . . . . . . . 4812 1 33 . 2 1 5 5 ASN HA H 1 4.78 0.005 . 1 . . . . . . . . 4812 1 34 . 2 1 5 5 ASN HB2 H 1 2.31 0.005 . 2 . . . . . . . . 4812 1 35 . 2 1 5 5 ASN HB3 H 1 3.01 0.005 . 2 . . . . . . . . 4812 1 36 . 2 1 5 5 ASN HD21 H 1 6.42 0.005 . 2 . . . . . . . . 4812 1 37 . 2 1 5 5 ASN HD22 H 1 7.29 0.005 . 2 . . . . . . . . 4812 1 38 . 2 1 6 6 CYS H H 1 7.16 0.005 . 1 . . . . . . . . 4812 1 39 . 2 1 6 6 CYS HA H 1 5.21 0.005 . 1 . . . . . . . . 4812 1 40 . 2 1 6 6 CYS HB2 H 1 3.51 0.005 . 2 . . . . . . . . 4812 1 41 . 2 1 6 6 CYS HB3 H 1 3.82 0.005 . 2 . . . . . . . . 4812 1 42 . 2 1 7 7 PRO HA H 1 5.04 0.005 . 1 . . . . . . . . 4812 1 43 . 2 1 7 7 PRO HB2 H 1 2.13 0.005 . 2 . . . . . . . . 4812 1 44 . 2 1 7 7 PRO HB3 H 1 2.30 0.005 . 2 . . . . . . . . 4812 1 45 . 2 1 7 7 PRO HD2 H 1 3.90 0.005 . 2 . . . . . . . . 4812 1 46 . 2 1 8 8 GLU H H 1 7.61 0.005 . 1 . . . . . . . . 4812 1 47 . 2 1 8 8 GLU HA H 1 4.60 0.005 . 1 . . . . . . . . 4812 1 48 . 2 1 8 8 GLU HB2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 1 49 . 2 1 8 8 GLU HB3 H 1 2.36 0.005 . 2 . . . . . . . . 4812 1 50 . 2 1 8 8 GLU HG2 H 1 2.49 0.005 . 2 . . . . . . . . 4812 1 51 . 2 1 8 8 GLU HG3 H 1 2.91 0.005 . 2 . . . . . . . . 4812 1 52 . 2 1 9 9 MET H H 1 9.06 0.005 . 1 . . . . . . . . 4812 1 53 . 2 1 9 9 MET HA H 1 3.92 0.005 . 1 . . . . . . . . 4812 1 54 . 2 1 9 9 MET HB2 H 1 1.97 0.005 . 1 . . . . . . . . 4812 1 55 . 2 1 9 9 MET HB3 H 1 1.97 0.005 . 1 . . . . . . . . 4812 1 56 . 2 1 9 9 MET HG2 H 1 2.07 0.005 . 2 . . . . . . . . 4812 1 57 . 2 1 9 9 MET HG3 H 1 2.13 0.005 . 2 . . . . . . . . 4812 1 58 . 2 1 9 9 MET HE1 H 1 2.04 0.005 . 1 . . . . . . . . 4812 1 59 . 2 1 9 9 MET HE2 H 1 2.04 0.005 . 1 . . . . . . . . 4812 1 60 . 2 1 9 9 MET HE3 H 1 2.04 0.005 . 1 . . . . . . . . 4812 1 61 . 2 1 10 10 PHE H H 1 7.94 0.005 . 1 . . . . . . . . 4812 1 62 . 2 1 10 10 PHE HA H 1 4.93 0.005 . 1 . . . . . . . . 4812 1 63 . 2 1 10 10 PHE HB2 H 1 2.89 0.005 . 2 . . . . . . . . 4812 1 64 . 2 1 10 10 PHE HB3 H 1 3.14 0.005 . 2 . . . . . . . . 4812 1 65 . 2 1 10 10 PHE HD1 H 1 7.29 0.005 . 1 . . . . . . . . 4812 1 66 . 2 1 10 10 PHE HD2 H 1 7.29 0.005 . 1 . . . . . . . . 4812 1 67 . 2 1 10 10 PHE HE1 H 1 7.37 0.005 . 1 . . . . . . . . 4812 1 68 . 2 1 10 10 PHE HE2 H 1 7.37 0.005 . 1 . . . . . . . . 4812 1 69 . 2 1 10 10 PHE HZ H 1 7.43 0.005 . 1 . . . . . . . . 4812 1 70 . 2 1 11 11 CYS H H 1 8.09 0.005 . 1 . . . . . . . . 4812 1 71 . 2 1 11 11 CYS HA H 1 4.82 0.005 . 1 . . . . . . . . 4812 1 72 . 2 1 11 11 CYS HB2 H 1 3.37 0.005 . 2 . . . . . . . . 4812 1 73 . 2 1 11 11 CYS HB3 H 1 3.97 0.005 . 2 . . . . . . . . 4812 1 74 . 2 1 12 12 GLY H H 1 8.69 0.005 . 1 . . . . . . . . 4812 1 75 . 2 1 12 12 GLY HA2 H 1 3.66 0.005 . 2 . . . . . . . . 4812 1 76 . 2 1 12 12 GLY HA3 H 1 4.59 0.005 . 2 . . . . . . . . 4812 1 77 . 2 1 13 13 LYS H H 1 6.99 0.005 . 1 . . . . . . . . 4812 1 78 . 2 1 13 13 LYS HA H 1 4.35 0.005 . 1 . . . . . . . . 4812 1 79 . 2 1 13 13 LYS HB2 H 1 1.61 0.005 . 2 . . . . . . . . 4812 1 80 . 2 1 13 13 LYS HB3 H 1 1.85 0.005 . 2 . . . . . . . . 4812 1 81 . 2 1 13 13 LYS HG2 H 1 1.49 0.005 . 1 . . . . . . . . 4812 1 82 . 2 1 13 13 LYS HG3 H 1 1.49 0.005 . 1 . . . . . . . . 4812 1 83 . 2 1 13 13 LYS HD2 H 1 1.69 0.005 . 1 . . . . . . . . 4812 1 84 . 2 1 13 13 LYS HD3 H 1 1.69 0.005 . 1 . . . . . . . . 4812 1 85 . 2 1 13 13 LYS HE2 H 1 3.05 0.005 . 1 . . . . . . . . 4812 1 86 . 2 1 13 13 LYS HE3 H 1 3.05 0.005 . 1 . . . . . . . . 4812 1 87 . 2 1 14 14 PHE H H 1 7.80 0.005 . 1 . . . . . . . . 4812 1 88 . 2 1 14 14 PHE HA H 1 5.32 0.005 . 1 . . . . . . . . 4812 1 89 . 2 1 14 14 PHE HB2 H 1 2.64 0.005 . 2 . . . . . . . . 4812 1 90 . 2 1 14 14 PHE HB3 H 1 2.80 0.005 . 2 . . . . . . . . 4812 1 91 . 2 1 14 14 PHE HD1 H 1 7.05 0.005 . 1 . . . . . . . . 4812 1 92 . 2 1 14 14 PHE HD2 H 1 7.05 0.005 . 1 . . . . . . . . 4812 1 93 . 2 1 14 14 PHE HE1 H 1 7.39 0.005 . 1 . . . . . . . . 4812 1 94 . 2 1 14 14 PHE HE2 H 1 7.39 0.005 . 1 . . . . . . . . 4812 1 95 . 2 1 14 14 PHE HZ H 1 7.40 0.005 . 1 . . . . . . . . 4812 1 96 . 2 1 15 15 GLN H H 1 9.03 0.005 . 1 . . . . . . . . 4812 1 97 . 2 1 15 15 GLN HA H 1 4.77 0.005 . 1 . . . . . . . . 4812 1 98 . 2 1 15 15 GLN HB2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 1 99 . 2 1 15 15 GLN HB3 H 1 2.05 0.005 . 2 . . . . . . . . 4812 1 100 . 2 1 15 15 GLN HG2 H 1 2.14 0.005 . 2 . . . . . . . . 4812 1 101 . 2 1 15 15 GLN HG3 H 1 2.30 0.005 . 2 . . . . . . . . 4812 1 102 . 2 1 15 15 GLN HE21 H 1 6.99 0.005 . 2 . . . . . . . . 4812 1 103 . 2 1 15 15 GLN HE22 H 1 7.30 0.005 . 2 . . . . . . . . 4812 1 104 . 2 1 16 16 ILE H H 1 8.75 0.005 . 1 . . . . . . . . 4812 1 105 . 2 1 16 16 ILE HA H 1 4.38 0.005 . 1 . . . . . . . . 4812 1 106 . 2 1 16 16 ILE HB H 1 1.82 0.005 . 1 . . . . . . . . 4812 1 107 . 2 1 16 16 ILE HG12 H 1 1.27 0.005 . 2 . . . . . . . . 4812 1 108 . 2 1 16 16 ILE HG13 H 1 1.72 0.005 . 2 . . . . . . . . 4812 1 109 . 2 1 16 16 ILE HG21 H 1 1.00 0.005 . 1 . . . . . . . . 4812 1 110 . 2 1 16 16 ILE HG22 H 1 1.00 0.005 . 1 . . . . . . . . 4812 1 111 . 2 1 16 16 ILE HG23 H 1 1.00 0.005 . 1 . . . . . . . . 4812 1 112 . 2 1 16 16 ILE HD11 H 1 0.97 0.005 . 1 . . . . . . . . 4812 1 113 . 2 1 16 16 ILE HD12 H 1 0.97 0.005 . 1 . . . . . . . . 4812 1 114 . 2 1 16 16 ILE HD13 H 1 0.97 0.005 . 1 . . . . . . . . 4812 1 115 . 2 1 17 17 CYS H H 1 8.93 0.005 . 1 . . . . . . . . 4812 1 116 . 2 1 17 17 CYS HA H 1 4.81 0.005 . 1 . . . . . . . . 4812 1 117 . 2 1 17 17 CYS HB2 H 1 2.81 0.005 . 2 . . . . . . . . 4812 1 118 . 2 1 17 17 CYS HB3 H 1 3.65 0.005 . 2 . . . . . . . . 4812 1 119 . 2 1 18 18 ARG H H 1 8.38 0.005 . 1 . . . . . . . . 4812 1 120 . 2 1 18 18 ARG HA H 1 4.49 0.005 . 1 . . . . . . . . 4812 1 121 . 2 1 18 18 ARG HB2 H 1 1.70 0.005 . 2 . . . . . . . . 4812 1 122 . 2 1 18 18 ARG HB3 H 1 1.97 0.005 . 2 . . . . . . . . 4812 1 123 . 2 1 18 18 ARG HG2 H 1 1.76 0.005 . 1 . . . . . . . . 4812 1 124 . 2 1 18 18 ARG HG3 H 1 1.76 0.005 . 1 . . . . . . . . 4812 1 125 . 2 1 18 18 ARG HD2 H 1 3.27 0.005 . 1 . . . . . . . . 4812 1 126 . 2 1 18 18 ARG HD3 H 1 3.27 0.005 . 1 . . . . . . . . 4812 1 127 . 2 1 18 18 ARG HE H 1 7.18 0.005 . 1 . . . . . . . . 4812 1 128 . 2 1 19 19 ASN H H 1 8.77 0.005 . 1 . . . . . . . . 4812 1 129 . 2 1 19 19 ASN HA H 1 4.48 0.005 . 1 . . . . . . . . 4812 1 130 . 2 1 19 19 ASN HB2 H 1 2.83 0.005 . 1 . . . . . . . . 4812 1 131 . 2 1 19 19 ASN HB3 H 1 2.83 0.005 . 1 . . . . . . . . 4812 1 132 . 2 1 19 19 ASN HD21 H 1 6.96 0.005 . 2 . . . . . . . . 4812 1 133 . 2 1 19 19 ASN HD22 H 1 7.62 0.005 . 2 . . . . . . . . 4812 1 134 . 2 1 20 20 GLY H H 1 8.76 0.005 . 1 . . . . . . . . 4812 1 135 . 2 1 20 20 GLY HA2 H 1 3.70 0.005 . 2 . . . . . . . . 4812 1 136 . 2 1 20 20 GLY HA3 H 1 4.25 0.005 . 2 . . . . . . . . 4812 1 137 . 2 1 21 21 GLU H H 1 7.94 0.005 . 1 . . . . . . . . 4812 1 138 . 2 1 21 21 GLU HA H 1 4.26 0.005 . 1 . . . . . . . . 4812 1 139 . 2 1 21 21 GLU HB2 H 1 2.46 0.005 . 1 . . . . . . . . 4812 1 140 . 2 1 21 21 GLU HB3 H 1 2.46 0.005 . 1 . . . . . . . . 4812 1 141 . 2 1 21 21 GLU HG2 H 1 1.80 0.005 . 2 . . . . . . . . 4812 1 142 . 2 1 21 21 GLU HG3 H 1 2.15 0.005 . 2 . . . . . . . . 4812 1 143 . 2 1 22 22 LYS H H 1 7.61 0.005 . 1 . . . . . . . . 4812 1 144 . 2 1 22 22 LYS HA H 1 4.52 0.005 . 1 . . . . . . . . 4812 1 145 . 2 1 22 22 LYS HB2 H 1 1.82 0.005 . 1 . . . . . . . . 4812 1 146 . 2 1 22 22 LYS HB3 H 1 1.82 0.005 . 1 . . . . . . . . 4812 1 147 . 2 1 22 22 LYS HG2 H 1 1.47 0.005 . 1 . . . . . . . . 4812 1 148 . 2 1 22 22 LYS HG3 H 1 1.47 0.005 . 1 . . . . . . . . 4812 1 149 . 2 1 22 22 LYS HD2 H 1 1.76 0.005 . 1 . . . . . . . . 4812 1 150 . 2 1 22 22 LYS HD3 H 1 1.76 0.005 . 1 . . . . . . . . 4812 1 151 . 2 1 22 22 LYS HE2 H 1 3.09 0.005 . 1 . . . . . . . . 4812 1 152 . 2 1 22 22 LYS HE3 H 1 3.09 0.005 . 1 . . . . . . . . 4812 1 153 . 2 1 22 22 LYS HZ1 H 1 7.53 0.005 . 1 . . . . . . . . 4812 1 154 . 2 1 22 22 LYS HZ2 H 1 7.53 0.005 . 1 . . . . . . . . 4812 1 155 . 2 1 22 22 LYS HZ3 H 1 7.53 0.005 . 1 . . . . . . . . 4812 1 156 . 2 1 23 23 ILE H H 1 8.13 0.005 . 1 . . . . . . . . 4812 1 157 . 2 1 23 23 ILE HA H 1 4.74 0.005 . 1 . . . . . . . . 4812 1 158 . 2 1 23 23 ILE HB H 1 1.89 0.005 . 1 . . . . . . . . 4812 1 159 . 2 1 23 23 ILE HG12 H 1 1.06 0.005 . 2 . . . . . . . . 4812 1 160 . 2 1 23 23 ILE HG13 H 1 1.27 0.005 . 2 . . . . . . . . 4812 1 161 . 2 1 23 23 ILE HG21 H 1 0.90 0.005 . 1 . . . . . . . . 4812 1 162 . 2 1 23 23 ILE HG22 H 1 0.90 0.005 . 1 . . . . . . . . 4812 1 163 . 2 1 23 23 ILE HG23 H 1 0.90 0.005 . 1 . . . . . . . . 4812 1 164 . 2 1 23 23 ILE HD11 H 1 0.83 0.005 . 1 . . . . . . . . 4812 1 165 . 2 1 23 23 ILE HD12 H 1 0.83 0.005 . 1 . . . . . . . . 4812 1 166 . 2 1 23 23 ILE HD13 H 1 0.83 0.005 . 1 . . . . . . . . 4812 1 167 . 2 1 24 24 CYS H H 1 9.18 0.005 . 1 . . . . . . . . 4812 1 168 . 2 1 24 24 CYS HA H 1 5.97 0.005 . 1 . . . . . . . . 4812 1 169 . 2 1 24 24 CYS HB2 H 1 2.98 0.005 . 1 . . . . . . . . 4812 1 170 . 2 1 24 24 CYS HB3 H 1 2.98 0.005 . 1 . . . . . . . . 4812 1 171 . 2 1 25 25 PHE H H 1 8.93 0.005 . 1 . . . . . . . . 4812 1 172 . 2 1 25 25 PHE HA H 1 6.29 0.005 . 1 . . . . . . . . 4812 1 173 . 2 1 25 25 PHE HB2 H 1 2.82 0.005 . 2 . . . . . . . . 4812 1 174 . 2 1 25 25 PHE HB3 H 1 3.09 0.005 . 2 . . . . . . . . 4812 1 175 . 2 1 25 25 PHE HD1 H 1 6.83 0.005 . 1 . . . . . . . . 4812 1 176 . 2 1 25 25 PHE HD2 H 1 6.83 0.005 . 1 . . . . . . . . 4812 1 177 . 2 1 25 25 PHE HE1 H 1 7.08 0.005 . 1 . . . . . . . . 4812 1 178 . 2 1 25 25 PHE HE2 H 1 7.08 0.005 . 1 . . . . . . . . 4812 1 179 . 2 1 25 25 PHE HZ H 1 7.22 0.005 . 1 . . . . . . . . 4812 1 180 . 2 1 26 26 LYS H H 1 9.06 0.005 . 1 . . . . . . . . 4812 1 181 . 2 1 26 26 LYS HA H 1 5.13 0.005 . 1 . . . . . . . . 4812 1 182 . 2 1 26 26 LYS HB2 H 1 1.70 0.005 . 1 . . . . . . . . 4812 1 183 . 2 1 26 26 LYS HB3 H 1 1.70 0.005 . 1 . . . . . . . . 4812 1 184 . 2 1 26 26 LYS HG2 H 1 0.99 0.005 . 2 . . . . . . . . 4812 1 185 . 2 1 26 26 LYS HG3 H 1 1.53 0.005 . 2 . . . . . . . . 4812 1 186 . 2 1 26 26 LYS HD2 H 1 0.76 0.005 . 2 . . . . . . . . 4812 1 187 . 2 1 26 26 LYS HD3 H 1 1.12 0.005 . 2 . . . . . . . . 4812 1 188 . 2 1 26 26 LYS HE2 H 1 2.12 0.005 . 2 . . . . . . . . 4812 1 189 . 2 1 26 26 LYS HE3 H 1 2.39 0.005 . 2 . . . . . . . . 4812 1 190 . 2 1 27 27 LYS H H 1 9.45 0.005 . 1 . . . . . . . . 4812 1 191 . 2 1 27 27 LYS HA H 1 5.23 0.005 . 1 . . . . . . . . 4812 1 192 . 2 1 27 27 LYS HB2 H 1 1.96 0.005 . 1 . . . . . . . . 4812 1 193 . 2 1 27 27 LYS HB3 H 1 1.96 0.005 . 1 . . . . . . . . 4812 1 194 . 2 1 27 27 LYS HG2 H 1 1.43 0.005 . 1 . . . . . . . . 4812 1 195 . 2 1 27 27 LYS HG3 H 1 1.43 0.005 . 1 . . . . . . . . 4812 1 196 . 2 1 27 27 LYS HD2 H 1 1.60 0.005 . 1 . . . . . . . . 4812 1 197 . 2 1 27 27 LYS HD3 H 1 1.60 0.005 . 1 . . . . . . . . 4812 1 198 . 2 1 27 27 LYS HE2 H 1 2.81 0.005 . 1 . . . . . . . . 4812 1 199 . 2 1 27 27 LYS HE3 H 1 2.81 0.005 . 1 . . . . . . . . 4812 1 200 . 2 1 28 28 LEU H H 1 9.01 0.005 . 1 . . . . . . . . 4812 1 201 . 2 1 28 28 LEU HA H 1 4.54 0.005 . 1 . . . . . . . . 4812 1 202 . 2 1 28 28 LEU HB2 H 1 1.66 0.005 . 2 . . . . . . . . 4812 1 203 . 2 1 28 28 LEU HB3 H 1 1.85 0.005 . 2 . . . . . . . . 4812 1 204 . 2 1 28 28 LEU HG H 1 1.51 0.005 . 1 . . . . . . . . 4812 1 205 . 2 1 28 28 LEU HD11 H 1 0.83 0.005 . 2 . . . . . . . . 4812 1 206 . 2 1 28 28 LEU HD12 H 1 0.83 0.005 . 2 . . . . . . . . 4812 1 207 . 2 1 28 28 LEU HD13 H 1 0.83 0.005 . 2 . . . . . . . . 4812 1 208 . 2 1 28 28 LEU HD21 H 1 0.88 0.005 . 2 . . . . . . . . 4812 1 209 . 2 1 28 28 LEU HD22 H 1 0.88 0.005 . 2 . . . . . . . . 4812 1 210 . 2 1 28 28 LEU HD23 H 1 0.88 0.005 . 2 . . . . . . . . 4812 1 211 . 2 1 29 29 HIS H H 1 9.01 0.005 . 1 . . . . . . . . 4812 1 212 . 2 1 29 29 HIS HA H 1 4.75 0.005 . 1 . . . . . . . . 4812 1 213 . 2 1 29 29 HIS HB2 H 1 2.94 0.005 . 2 . . . . . . . . 4812 1 214 . 2 1 29 29 HIS HB3 H 1 3.14 0.005 . 2 . . . . . . . . 4812 1 215 . 2 1 29 29 HIS HD2 H 1 7.17 0.005 . 1 . . . . . . . . 4812 1 216 . 2 1 29 29 HIS HE1 H 1 8.61 0.005 . 1 . . . . . . . . 4812 1 217 . 2 1 30 30 GLN H H 1 8.45 0.005 . 1 . . . . . . . . 4812 1 218 . 2 1 30 30 GLN HA H 1 4.38 0.005 . 1 . . . . . . . . 4812 1 219 . 2 1 30 30 GLN HB2 H 1 1.90 0.005 . 2 . . . . . . . . 4812 1 220 . 2 1 30 30 GLN HB3 H 1 2.00 0.005 . 2 . . . . . . . . 4812 1 221 . 2 1 30 30 GLN HG2 H 1 2.15 0.005 . 2 . . . . . . . . 4812 1 222 . 2 1 30 30 GLN HG3 H 1 2.22 0.005 . 2 . . . . . . . . 4812 1 223 . 2 1 31 31 ARG H H 1 8.34 0.005 . 1 . . . . . . . . 4812 1 224 . 2 1 31 31 ARG HA H 1 4.42 0.005 . 1 . . . . . . . . 4812 1 225 . 2 1 31 31 ARG HB2 H 1 1.87 0.005 . 2 . . . . . . . . 4812 1 226 . 2 1 31 31 ARG HB3 H 1 1.94 0.005 . 2 . . . . . . . . 4812 1 227 . 2 1 31 31 ARG HG2 H 1 1.66 0.005 . 1 . . . . . . . . 4812 1 228 . 2 1 31 31 ARG HG3 H 1 1.66 0.005 . 1 . . . . . . . . 4812 1 229 . 2 1 31 31 ARG HD2 H 1 3.25 0.005 . 1 . . . . . . . . 4812 1 230 . 2 1 31 31 ARG HD3 H 1 3.25 0.005 . 1 . . . . . . . . 4812 1 231 . 2 1 32 32 ARG H H 1 7.68 0.005 . 1 . . . . . . . . 4812 1 232 . 2 1 32 32 ARG HA H 1 4.31 0.005 . 1 . . . . . . . . 4812 1 233 . 2 1 32 32 ARG HB2 H 1 1.66 0.005 . 1 . . . . . . . . 4812 1 234 . 2 1 32 32 ARG HB3 H 1 1.66 0.005 . 1 . . . . . . . . 4812 1 235 . 2 1 32 32 ARG HG2 H 1 1.53 0.005 . 2 . . . . . . . . 4812 1 236 . 2 1 32 32 ARG HG3 H 1 1.70 0.005 . 2 . . . . . . . . 4812 1 237 . 2 1 32 32 ARG HD2 H 1 3.19 0.005 . 1 . . . . . . . . 4812 1 238 . 2 1 32 32 ARG HD3 H 1 3.19 0.005 . 1 . . . . . . . . 4812 1 239 . 2 1 32 32 ARG HE H 1 7.18 0.005 . 1 . . . . . . . . 4812 1 240 . 2 1 33 33 PRO HA H 1 4.53 0.005 . 1 . . . . . . . . 4812 1 241 . 2 1 33 33 PRO HB2 H 1 2.14 0.005 . 2 . . . . . . . . 4812 1 242 . 2 1 33 33 PRO HB3 H 1 2.33 0.005 . 2 . . . . . . . . 4812 1 243 . 2 1 33 33 PRO HG2 H 1 1.45 0.005 . 2 . . . . . . . . 4812 1 244 . 2 1 33 33 PRO HG3 H 1 1.70 0.005 . 2 . . . . . . . . 4812 1 245 . 2 1 33 33 PRO HD2 H 1 2.81 0.005 . 2 . . . . . . . . 4812 1 246 . 2 1 33 33 PRO HD3 H 1 3.19 0.005 . 2 . . . . . . . . 4812 1 247 . 2 1 34 34 LEU H H 1 8.48 0.005 . 1 . . . . . . . . 4812 1 248 . 2 1 34 34 LEU HA H 1 4.18 0.005 . 1 . . . . . . . . 4812 1 249 . 2 1 34 34 LEU HB2 H 1 1.59 0.005 . 2 . . . . . . . . 4812 1 250 . 2 1 34 34 LEU HB3 H 1 1.72 0.005 . 2 . . . . . . . . 4812 1 251 . 2 1 34 34 LEU HG H 1 1.59 0.005 . 1 . . . . . . . . 4812 1 252 . 2 1 34 34 LEU HD11 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 253 . 2 1 34 34 LEU HD12 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 254 . 2 1 34 34 LEU HD13 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 255 . 2 1 34 34 LEU HD21 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 256 . 2 1 34 34 LEU HD22 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 257 . 2 1 34 34 LEU HD23 H 1 0.91 0.005 . 1 . . . . . . . . 4812 1 258 . 2 1 35 35 SER H H 1 7.89 0.005 . 1 . . . . . . . . 4812 1 259 . 2 1 35 35 SER HA H 1 4.32 0.005 . 1 . . . . . . . . 4812 1 260 . 2 1 35 35 SER HB2 H 1 3.96 0.005 . 2 . . . . . . . . 4812 1 261 . 2 1 35 35 SER HB3 H 1 4.05 0.005 . 2 . . . . . . . . 4812 1 262 . 2 1 36 36 TRP H H 1 8.19 0.005 . 1 . . . . . . . . 4812 1 263 . 2 1 36 36 TRP HA H 1 4.69 0.005 . 1 . . . . . . . . 4812 1 264 . 2 1 36 36 TRP HB2 H 1 3.20 0.005 . 1 . . . . . . . . 4812 1 265 . 2 1 36 36 TRP HB3 H 1 3.20 0.005 . 1 . . . . . . . . 4812 1 266 . 2 1 36 36 TRP HD1 H 1 7.21 0.005 . 1 . . . . . . . . 4812 1 267 . 2 1 36 36 TRP HE1 H 1 9.97 0.005 . 1 . . . . . . . . 4812 1 268 . 2 1 36 36 TRP HE3 H 1 7.42 0.005 . 1 . . . . . . . . 4812 1 269 . 2 1 36 36 TRP HZ2 H 1 7.52 0.005 . 1 . . . . . . . . 4812 1 270 . 2 1 36 36 TRP HZ3 H 1 7.14 0.005 . 1 . . . . . . . . 4812 1 271 . 2 1 36 36 TRP HH2 H 1 7.28 0.005 . 1 . . . . . . . . 4812 1 272 . 2 1 37 37 ARG H H 1 7.56 0.005 . 1 . . . . . . . . 4812 1 273 . 2 1 37 37 ARG HA H 1 4.46 0.005 . 1 . . . . . . . . 4812 1 274 . 2 1 37 37 ARG HB2 H 1 1.56 0.005 . 1 . . . . . . . . 4812 1 275 . 2 1 37 37 ARG HB3 H 1 1.56 0.005 . 1 . . . . . . . . 4812 1 276 . 2 1 37 37 ARG HG2 H 1 1.48 0.005 . 1 . . . . . . . . 4812 1 277 . 2 1 37 37 ARG HG3 H 1 1.48 0.005 . 1 . . . . . . . . 4812 1 278 . 2 1 38 38 TYR H H 1 8.90 0.005 . 1 . . . . . . . . 4812 1 279 . 2 1 38 38 TYR HA H 1 5.52 0.005 . 1 . . . . . . . . 4812 1 280 . 2 1 38 38 TYR HB2 H 1 2.54 0.005 . 2 . . . . . . . . 4812 1 281 . 2 1 38 38 TYR HB3 H 1 2.90 0.005 . 2 . . . . . . . . 4812 1 282 . 2 1 38 38 TYR HD1 H 1 6.85 0.005 . 1 . . . . . . . . 4812 1 283 . 2 1 38 38 TYR HD2 H 1 6.85 0.005 . 1 . . . . . . . . 4812 1 284 . 2 1 38 38 TYR HE1 H 1 6.92 0.005 . 1 . . . . . . . . 4812 1 285 . 2 1 38 38 TYR HE2 H 1 6.92 0.005 . 1 . . . . . . . . 4812 1 286 . 2 1 39 39 ILE H H 1 9.05 0.005 . 1 . . . . . . . . 4812 1 287 . 2 1 39 39 ILE HA H 1 4.29 0.005 . 1 . . . . . . . . 4812 1 288 . 2 1 39 39 ILE HB H 1 1.71 0.005 . 1 . . . . . . . . 4812 1 289 . 2 1 39 39 ILE HG12 H 1 1.20 0.005 . 2 . . . . . . . . 4812 1 290 . 2 1 39 39 ILE HG13 H 1 1.61 0.005 . 2 . . . . . . . . 4812 1 291 . 2 1 39 39 ILE HG21 H 1 1.06 0.005 . 1 . . . . . . . . 4812 1 292 . 2 1 39 39 ILE HG22 H 1 1.06 0.005 . 1 . . . . . . . . 4812 1 293 . 2 1 39 39 ILE HG23 H 1 1.06 0.005 . 1 . . . . . . . . 4812 1 294 . 2 1 39 39 ILE HD11 H 1 0.79 0.005 . 1 . . . . . . . . 4812 1 295 . 2 1 39 39 ILE HD12 H 1 0.79 0.005 . 1 . . . . . . . . 4812 1 296 . 2 1 39 39 ILE HD13 H 1 0.79 0.005 . 1 . . . . . . . . 4812 1 297 . 2 1 40 40 ARG H H 1 8.37 0.005 . 1 . . . . . . . . 4812 1 298 . 2 1 40 40 ARG HA H 1 4.81 0.005 . 1 . . . . . . . . 4812 1 299 . 2 1 40 40 ARG HB2 H 1 1.34 0.005 . 2 . . . . . . . . 4812 1 300 . 2 1 40 40 ARG HB3 H 1 1.42 0.005 . 2 . . . . . . . . 4812 1 301 . 2 1 40 40 ARG HG2 H 1 1.43 0.005 . 2 . . . . . . . . 4812 1 302 . 2 1 40 40 ARG HG3 H 1 1.74 0.005 . 2 . . . . . . . . 4812 1 303 . 2 1 40 40 ARG HD2 H 1 3.19 0.005 . 1 . . . . . . . . 4812 1 304 . 2 1 40 40 ARG HD3 H 1 3.19 0.005 . 1 . . . . . . . . 4812 1 305 . 2 1 40 40 ARG HE H 1 6.61 0.005 . 1 . . . . . . . . 4812 1 306 . 2 1 41 41 GLY H H 1 6.27 0.005 . 1 . . . . . . . . 4812 1 307 . 2 1 41 41 GLY HA2 H 1 3.89 0.005 . 2 . . . . . . . . 4812 1 308 . 2 1 41 41 GLY HA3 H 1 4.00 0.005 . 2 . . . . . . . . 4812 1 309 . 2 1 42 42 CYS H H 1 8.14 0.005 . 1 . . . . . . . . 4812 1 310 . 2 1 42 42 CYS HA H 1 5.74 0.005 . 1 . . . . . . . . 4812 1 311 . 2 1 42 42 CYS HB2 H 1 2.78 0.005 . 2 . . . . . . . . 4812 1 312 . 2 1 42 42 CYS HB3 H 1 3.25 0.005 . 2 . . . . . . . . 4812 1 313 . 2 1 43 43 ALA H H 1 9.47 0.005 . 1 . . . . . . . . 4812 1 314 . 2 1 43 43 ALA HA H 1 4.78 0.005 . 1 . . . . . . . . 4812 1 315 . 2 1 43 43 ALA HB1 H 1 1.55 0.005 . 1 . . . . . . . . 4812 1 316 . 2 1 43 43 ALA HB2 H 1 1.55 0.005 . 1 . . . . . . . . 4812 1 317 . 2 1 43 43 ALA HB3 H 1 1.55 0.005 . 1 . . . . . . . . 4812 1 318 . 2 1 44 44 ASP H H 1 9.02 0.005 . 1 . . . . . . . . 4812 1 319 . 2 1 44 44 ASP HA H 1 4.88 0.005 . 1 . . . . . . . . 4812 1 320 . 2 1 44 44 ASP HB2 H 1 2.97 0.005 . 1 . . . . . . . . 4812 1 321 . 2 1 44 44 ASP HB3 H 1 2.97 0.005 . 1 . . . . . . . . 4812 1 322 . 2 1 45 45 THR H H 1 7.38 0.005 . 1 . . . . . . . . 4812 1 323 . 2 1 45 45 THR HA H 1 4.41 0.005 . 1 . . . . . . . . 4812 1 324 . 2 1 45 45 THR HB H 1 4.07 0.005 . 1 . . . . . . . . 4812 1 325 . 2 1 45 45 THR HG21 H 1 1.10 0.005 . 1 . . . . . . . . 4812 1 326 . 2 1 45 45 THR HG22 H 1 1.10 0.005 . 1 . . . . . . . . 4812 1 327 . 2 1 45 45 THR HG23 H 1 1.10 0.005 . 1 . . . . . . . . 4812 1 328 . 2 1 46 46 CYS H H 1 8.81 0.005 . 1 . . . . . . . . 4812 1 329 . 2 1 46 46 CYS HA H 1 4.72 0.005 . 1 . . . . . . . . 4812 1 330 . 2 1 46 46 CYS HB2 H 1 2.95 0.005 . 2 . . . . . . . . 4812 1 331 . 2 1 46 46 CYS HB3 H 1 3.06 0.005 . 2 . . . . . . . . 4812 1 332 . 2 1 47 47 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 4812 1 333 . 2 1 47 47 PRO HB2 H 1 1.55 0.005 . 2 . . . . . . . . 4812 1 334 . 2 1 47 47 PRO HB3 H 1 2.00 0.005 . 2 . . . . . . . . 4812 1 335 . 2 1 47 47 PRO HG2 H 1 1.14 0.005 . 2 . . . . . . . . 4812 1 336 . 2 1 47 47 PRO HG3 H 1 1.23 0.005 . 2 . . . . . . . . 4812 1 337 . 2 1 47 47 PRO HD2 H 1 3.33 0.005 . 2 . . . . . . . . 4812 1 338 . 2 1 47 47 PRO HD3 H 1 3.64 0.005 . 2 . . . . . . . . 4812 1 339 . 2 1 48 48 VAL H H 1 7.83 0.005 . 1 . . . . . . . . 4812 1 340 . 2 1 48 48 VAL HA H 1 4.07 0.005 . 1 . . . . . . . . 4812 1 341 . 2 1 48 48 VAL HB H 1 1.97 0.005 . 1 . . . . . . . . 4812 1 342 . 2 1 48 48 VAL HG11 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 343 . 2 1 48 48 VAL HG12 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 344 . 2 1 48 48 VAL HG13 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 345 . 2 1 48 48 VAL HG21 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 346 . 2 1 48 48 VAL HG22 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 347 . 2 1 48 48 VAL HG23 H 1 0.94 0.005 . 1 . . . . . . . . 4812 1 348 . 2 1 49 49 GLY H H 1 8.32 0.005 . 1 . . . . . . . . 4812 1 349 . 2 1 49 49 GLY HA2 H 1 3.76 0.005 . 2 . . . . . . . . 4812 1 350 . 2 1 49 49 GLY HA3 H 1 4.26 0.005 . 2 . . . . . . . . 4812 1 351 . 2 1 50 50 LYS H H 1 8.39 0.005 . 1 . . . . . . . . 4812 1 352 . 2 1 50 50 LYS HA H 1 4.60 0.005 . 1 . . . . . . . . 4812 1 353 . 2 1 50 50 LYS HB2 H 1 1.19 0.005 . 1 . . . . . . . . 4812 1 354 . 2 1 50 50 LYS HB3 H 1 1.19 0.005 . 1 . . . . . . . . 4812 1 355 . 2 1 50 50 LYS HG2 H 1 1.65 0.005 . 1 . . . . . . . . 4812 1 356 . 2 1 50 50 LYS HG3 H 1 1.65 0.005 . 1 . . . . . . . . 4812 1 357 . 2 1 50 50 LYS HD2 H 1 1.51 0.005 . 2 . . . . . . . . 4812 1 358 . 2 1 50 50 LYS HD3 H 1 1.70 0.005 . 2 . . . . . . . . 4812 1 359 . 2 1 51 51 PRO HA H 1 4.33 0.005 . 1 . . . . . . . . 4812 1 360 . 2 1 51 51 PRO HB2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 1 361 . 2 1 51 51 PRO HB3 H 1 2.40 0.005 . 2 . . . . . . . . 4812 1 362 . 2 1 51 51 PRO HG2 H 1 2.13 0.005 . 2 . . . . . . . . 4812 1 363 . 2 1 51 51 PRO HG3 H 1 2.21 0.005 . 2 . . . . . . . . 4812 1 364 . 2 1 51 51 PRO HD2 H 1 3.71 0.005 . 2 . . . . . . . . 4812 1 365 . 2 1 51 51 PRO HD3 H 1 3.92 0.005 . 2 . . . . . . . . 4812 1 366 . 2 1 52 52 TYR H H 1 7.15 0.005 . 1 . . . . . . . . 4812 1 367 . 2 1 52 52 TYR HA H 1 4.52 0.005 . 1 . . . . . . . . 4812 1 368 . 2 1 52 52 TYR HB2 H 1 3.08 0.005 . 2 . . . . . . . . 4812 1 369 . 2 1 52 52 TYR HB3 H 1 3.34 0.005 . 2 . . . . . . . . 4812 1 370 . 2 1 52 52 TYR HD1 H 1 6.88 0.005 . 1 . . . . . . . . 4812 1 371 . 2 1 52 52 TYR HD2 H 1 6.88 0.005 . 1 . . . . . . . . 4812 1 372 . 2 1 52 52 TYR HE1 H 1 7.10 0.005 . 1 . . . . . . . . 4812 1 373 . 2 1 52 52 TYR HE2 H 1 7.10 0.005 . 1 . . . . . . . . 4812 1 374 . 2 1 53 53 GLU H H 1 7.61 0.005 . 1 . . . . . . . . 4812 1 375 . 2 1 53 53 GLU HA H 1 4.42 0.005 . 1 . . . . . . . . 4812 1 376 . 2 1 53 53 GLU HB2 H 1 2.12 0.005 . 1 . . . . . . . . 4812 1 377 . 2 1 53 53 GLU HB3 H 1 2.12 0.005 . 1 . . . . . . . . 4812 1 378 . 2 1 53 53 GLU HG2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 1 379 . 2 1 53 53 GLU HG3 H 1 2.23 0.005 . 2 . . . . . . . . 4812 1 380 . 2 1 54 54 MET H H 1 8.08 0.005 . 1 . . . . . . . . 4812 1 381 . 2 1 54 54 MET HA H 1 4.34 0.005 . 1 . . . . . . . . 4812 1 382 . 2 1 54 54 MET HB2 H 1 2.15 0.005 . 2 . . . . . . . . 4812 1 383 . 2 1 54 54 MET HB3 H 1 2.23 0.005 . 2 . . . . . . . . 4812 1 384 . 2 1 54 54 MET HG2 H 1 2.59 0.005 . 2 . . . . . . . . 4812 1 385 . 2 1 54 54 MET HG3 H 1 2.70 0.005 . 2 . . . . . . . . 4812 1 386 . 2 1 54 54 MET HE1 H 1 2.75 0.005 . 1 . . . . . . . . 4812 1 387 . 2 1 54 54 MET HE2 H 1 2.75 0.005 . 1 . . . . . . . . 4812 1 388 . 2 1 54 54 MET HE3 H 1 2.75 0.005 . 1 . . . . . . . . 4812 1 389 . 2 1 55 55 ILE H H 1 8.37 0.005 . 1 . . . . . . . . 4812 1 390 . 2 1 55 55 ILE HA H 1 4.55 0.005 . 1 . . . . . . . . 4812 1 391 . 2 1 55 55 ILE HB H 1 1.71 0.005 . 1 . . . . . . . . 4812 1 392 . 2 1 55 55 ILE HG12 H 1 0.93 0.005 . 2 . . . . . . . . 4812 1 393 . 2 1 55 55 ILE HG13 H 1 1.61 0.005 . 2 . . . . . . . . 4812 1 394 . 2 1 55 55 ILE HG21 H 1 0.92 0.005 . 1 . . . . . . . . 4812 1 395 . 2 1 55 55 ILE HG22 H 1 0.92 0.005 . 1 . . . . . . . . 4812 1 396 . 2 1 55 55 ILE HG23 H 1 0.92 0.005 . 1 . . . . . . . . 4812 1 397 . 2 1 55 55 ILE HD11 H 1 0.71 0.005 . 1 . . . . . . . . 4812 1 398 . 2 1 55 55 ILE HD12 H 1 0.71 0.005 . 1 . . . . . . . . 4812 1 399 . 2 1 55 55 ILE HD13 H 1 0.71 0.005 . 1 . . . . . . . . 4812 1 400 . 2 1 56 56 GLU H H 1 8.97 0.005 . 1 . . . . . . . . 4812 1 401 . 2 1 56 56 GLU HA H 1 4.86 0.005 . 1 . . . . . . . . 4812 1 402 . 2 1 56 56 GLU HB2 H 1 2.06 0.005 . 2 . . . . . . . . 4812 1 403 . 2 1 56 56 GLU HB3 H 1 2.13 0.005 . 2 . . . . . . . . 4812 1 404 . 2 1 56 56 GLU HG2 H 1 2.27 0.005 . 2 . . . . . . . . 4812 1 405 . 2 1 56 56 GLU HG3 H 1 2.51 0.005 . 2 . . . . . . . . 4812 1 406 . 2 1 57 57 CYS H H 1 8.99 0.005 . 1 . . . . . . . . 4812 1 407 . 2 1 57 57 CYS HA H 1 5.51 0.005 . 1 . . . . . . . . 4812 1 408 . 2 1 57 57 CYS HB2 H 1 2.99 0.005 . 2 . . . . . . . . 4812 1 409 . 2 1 57 57 CYS HB3 H 1 3.75 0.005 . 2 . . . . . . . . 4812 1 410 . 2 1 58 58 CYS H H 1 9.32 0.005 . 1 . . . . . . . . 4812 1 411 . 2 1 58 58 CYS HA H 1 5.16 0.005 . 1 . . . . . . . . 4812 1 412 . 2 1 58 58 CYS HB2 H 1 3.53 0.005 . 2 . . . . . . . . 4812 1 413 . 2 1 58 58 CYS HB3 H 1 3.62 0.005 . 2 . . . . . . . . 4812 1 414 . 2 1 59 59 SER H H 1 9.05 0.005 . 1 . . . . . . . . 4812 1 415 . 2 1 59 59 SER HA H 1 5.08 0.005 . 1 . . . . . . . . 4812 1 416 . 2 1 59 59 SER HB2 H 1 4.02 0.005 . 2 . . . . . . . . 4812 1 417 . 2 1 59 59 SER HB3 H 1 4.20 0.005 . 2 . . . . . . . . 4812 1 418 . 2 1 60 60 THR H H 1 7.59 0.005 . 1 . . . . . . . . 4812 1 419 . 2 1 60 60 THR HA H 1 4.73 0.005 . 1 . . . . . . . . 4812 1 420 . 2 1 60 60 THR HB H 1 4.34 0.005 . 1 . . . . . . . . 4812 1 421 . 2 1 60 60 THR HG21 H 1 1.22 0.005 . 1 . . . . . . . . 4812 1 422 . 2 1 60 60 THR HG22 H 1 1.22 0.005 . 1 . . . . . . . . 4812 1 423 . 2 1 60 60 THR HG23 H 1 1.22 0.005 . 1 . . . . . . . . 4812 1 424 . 2 1 61 61 ASP H H 1 8.28 0.005 . 1 . . . . . . . . 4812 1 425 . 2 1 61 61 ASP HA H 1 4.82 0.005 . 1 . . . . . . . . 4812 1 426 . 2 1 61 61 ASP HB2 H 1 2.36 0.005 . 2 . . . . . . . . 4812 1 427 . 2 1 61 61 ASP HB3 H 1 2.57 0.005 . 2 . . . . . . . . 4812 1 428 . 2 1 62 62 LYS H H 1 9.47 0.005 . 1 . . . . . . . . 4812 1 429 . 2 1 62 62 LYS HA H 1 3.42 0.005 . 1 . . . . . . . . 4812 1 430 . 2 1 62 62 LYS HB2 H 1 1.80 0.005 . 2 . . . . . . . . 4812 1 431 . 2 1 62 62 LYS HB3 H 1 1.88 0.005 . 2 . . . . . . . . 4812 1 432 . 2 1 62 62 LYS HG2 H 1 0.68 0.005 . 2 . . . . . . . . 4812 1 433 . 2 1 62 62 LYS HG3 H 1 1.04 0.005 . 2 . . . . . . . . 4812 1 434 . 2 1 62 62 LYS HD2 H 1 1.27 0.005 . 1 . . . . . . . . 4812 1 435 . 2 1 62 62 LYS HD3 H 1 1.27 0.005 . 1 . . . . . . . . 4812 1 436 . 2 1 62 62 LYS HE2 H 1 2.36 0.005 . 1 . . . . . . . . 4812 1 437 . 2 1 62 62 LYS HE3 H 1 2.36 0.005 . 1 . . . . . . . . 4812 1 438 . 2 1 62 62 LYS HZ1 H 1 7.05 0.005 . 1 . . . . . . . . 4812 1 439 . 2 1 62 62 LYS HZ2 H 1 7.05 0.005 . 1 . . . . . . . . 4812 1 440 . 2 1 62 62 LYS HZ3 H 1 7.05 0.005 . 1 . . . . . . . . 4812 1 441 . 2 1 63 63 CYS H H 1 7.74 0.005 . 1 . . . . . . . . 4812 1 442 . 2 1 63 63 CYS HA H 1 4.41 0.005 . 1 . . . . . . . . 4812 1 443 . 2 1 63 63 CYS HB2 H 1 3.34 0.005 . 2 . . . . . . . . 4812 1 444 . 2 1 63 63 CYS HB3 H 1 3.75 0.005 . 2 . . . . . . . . 4812 1 445 . 2 1 64 64 ASN H H 1 9.28 0.005 . 1 . . . . . . . . 4812 1 446 . 2 1 64 64 ASN HA H 1 4.67 0.005 . 1 . . . . . . . . 4812 1 447 . 2 1 64 64 ASN HB2 H 1 2.17 0.005 . 2 . . . . . . . . 4812 1 448 . 2 1 64 64 ASN HB3 H 1 2.57 0.005 . 2 . . . . . . . . 4812 1 449 . 2 1 64 64 ASN HD21 H 1 7.75 0.005 . 2 . . . . . . . . 4812 1 450 . 2 1 64 64 ASN HD22 H 1 7.82 0.005 . 2 . . . . . . . . 4812 1 451 . 2 1 65 65 ARG H H 1 7.42 0.005 . 1 . . . . . . . . 4812 1 452 . 2 1 65 65 ARG HA H 1 3.74 0.005 . 1 . . . . . . . . 4812 1 453 . 2 1 65 65 ARG HB2 H 1 1.75 0.005 . 2 . . . . . . . . 4812 1 454 . 2 1 65 65 ARG HB3 H 1 1.82 0.005 . 2 . . . . . . . . 4812 1 455 . 2 1 65 65 ARG HG2 H 1 1.67 0.005 . 2 . . . . . . . . 4812 1 456 . 2 1 65 65 ARG HG3 H 1 1.80 0.005 . 2 . . . . . . . . 4812 1 457 . 2 1 65 65 ARG HD2 H 1 3.32 0.005 . 1 . . . . . . . . 4812 1 458 . 2 1 65 65 ARG HD3 H 1 3.32 0.005 . 1 . . . . . . . . 4812 1 459 . 2 1 65 65 ARG HE H 1 7.26 0.005 . 1 . . . . . . . . 4812 1 stop_ save_ save_tWTX_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode tWTX_shift_set _Assigned_chem_shift_list.Entry_ID 4812 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $s1 . 4812 2 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 LEU HA H 1 4.25 0.005 . 1 . . . . . . . . 4812 2 2 . 1 1 1 1 LEU HB2 H 1 1.53 0.005 . 1 . . . . . . . . 4812 2 3 . 1 1 1 1 LEU HB3 H 1 1.53 0.005 . 1 . . . . . . . . 4812 2 4 . 1 1 1 1 LEU HG H 1 1.53 0.005 . 1 . . . . . . . . 4812 2 5 . 1 1 1 1 LEU HD11 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 6 . 1 1 1 1 LEU HD12 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 7 . 1 1 1 1 LEU HD13 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 8 . 1 1 1 1 LEU HD21 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 9 . 1 1 1 1 LEU HD22 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 10 . 1 1 1 1 LEU HD23 H 1 0.78 0.005 . 1 . . . . . . . . 4812 2 11 . 1 1 2 2 THR H H 1 8.17 0.005 . 1 . . . . . . . . 4812 2 12 . 1 1 2 2 THR HA H 1 5.20 0.005 . 1 . . . . . . . . 4812 2 13 . 1 1 2 2 THR HB H 1 3.71 0.005 . 1 . . . . . . . . 4812 2 14 . 1 1 2 2 THR HG21 H 1 1.01 0.005 . 1 . . . . . . . . 4812 2 15 . 1 1 2 2 THR HG22 H 1 1.01 0.005 . 1 . . . . . . . . 4812 2 16 . 1 1 2 2 THR HG23 H 1 1.01 0.005 . 1 . . . . . . . . 4812 2 17 . 1 1 3 3 CYS H H 1 8.63 0.005 . 1 . . . . . . . . 4812 2 18 . 1 1 3 3 CYS HA H 1 5.12 0.005 . 1 . . . . . . . . 4812 2 19 . 1 1 3 3 CYS HB2 H 1 2.63 0.005 . 2 . . . . . . . . 4812 2 20 . 1 1 3 3 CYS HB3 H 1 2.89 0.005 . 2 . . . . . . . . 4812 2 21 . 1 1 4 4 LEU H H 1 9.16 0.005 . 1 . . . . . . . . 4812 2 22 . 1 1 4 4 LEU HA H 1 4.78 0.005 . 1 . . . . . . . . 4812 2 23 . 1 1 4 4 LEU HB2 H 1 1.51 0.005 . 1 . . . . . . . . 4812 2 24 . 1 1 4 4 LEU HB3 H 1 1.51 0.005 . 1 . . . . . . . . 4812 2 25 . 1 1 4 4 LEU HG H 1 1.55 0.005 . 1 . . . . . . . . 4812 2 26 . 1 1 4 4 LEU HD11 H 1 0.84 0.005 . 2 . . . . . . . . 4812 2 27 . 1 1 4 4 LEU HD12 H 1 0.84 0.005 . 2 . . . . . . . . 4812 2 28 . 1 1 4 4 LEU HD13 H 1 0.84 0.005 . 2 . . . . . . . . 4812 2 29 . 1 1 4 4 LEU HD21 H 1 0.89 0.005 . 2 . . . . . . . . 4812 2 30 . 1 1 4 4 LEU HD22 H 1 0.89 0.005 . 2 . . . . . . . . 4812 2 31 . 1 1 4 4 LEU HD23 H 1 0.89 0.005 . 2 . . . . . . . . 4812 2 32 . 1 1 5 5 ASN H H 1 8.57 0.005 . 1 . . . . . . . . 4812 2 33 . 1 1 5 5 ASN HA H 1 4.76 0.005 . 1 . . . . . . . . 4812 2 34 . 1 1 5 5 ASN HB2 H 1 2.31 0.005 . 2 . . . . . . . . 4812 2 35 . 1 1 5 5 ASN HB3 H 1 3.01 0.005 . 2 . . . . . . . . 4812 2 36 . 1 1 5 5 ASN HD21 H 1 6.42 0.005 . 2 . . . . . . . . 4812 2 37 . 1 1 5 5 ASN HD22 H 1 7.29 0.005 . 2 . . . . . . . . 4812 2 38 . 1 1 6 6 CYS H H 1 7.13 0.005 . 1 . . . . . . . . 4812 2 39 . 1 1 6 6 CYS HA H 1 5.13 0.005 . 1 . . . . . . . . 4812 2 40 . 1 1 6 6 CYS HB2 H 1 3.47 0.005 . 2 . . . . . . . . 4812 2 41 . 1 1 6 6 CYS HB3 H 1 3.73 0.005 . 2 . . . . . . . . 4812 2 42 . 1 1 7 7 PRO HA H 1 4.92 0.005 . 1 . . . . . . . . 4812 2 43 . 1 1 7 7 PRO HB2 H 1 1.92 0.005 . 2 . . . . . . . . 4812 2 44 . 1 1 7 7 PRO HB3 H 1 2.05 0.005 . 2 . . . . . . . . 4812 2 45 . 1 1 8 8 GLU H H 1 7.52 0.005 . 1 . . . . . . . . 4812 2 46 . 1 1 8 8 GLU HA H 1 4.73 0.005 . 1 . . . . . . . . 4812 2 47 . 1 1 8 8 GLU HB2 H 1 1.93 0.005 . 2 . . . . . . . . 4812 2 48 . 1 1 8 8 GLU HB3 H 1 2.36 0.005 . 2 . . . . . . . . 4812 2 49 . 1 1 8 8 GLU HG2 H 1 2.44 0.005 . 2 . . . . . . . . 4812 2 50 . 1 1 8 8 GLU HG3 H 1 2.93 0.005 . 2 . . . . . . . . 4812 2 51 . 1 1 9 9 MET H H 1 8.97 0.005 . 1 . . . . . . . . 4812 2 52 . 1 1 9 9 MET HA H 1 3.82 0.005 . 1 . . . . . . . . 4812 2 53 . 1 1 9 9 MET HB2 H 1 1.95 0.005 . 1 . . . . . . . . 4812 2 54 . 1 1 9 9 MET HB3 H 1 1.95 0.005 . 1 . . . . . . . . 4812 2 55 . 1 1 9 9 MET HG2 H 1 2.06 0.005 . 2 . . . . . . . . 4812 2 56 . 1 1 9 9 MET HG3 H 1 2.14 0.005 . 2 . . . . . . . . 4812 2 57 . 1 1 9 9 MET HE1 H 1 1.96 0.005 . 1 . . . . . . . . 4812 2 58 . 1 1 9 9 MET HE2 H 1 1.96 0.005 . 1 . . . . . . . . 4812 2 59 . 1 1 9 9 MET HE3 H 1 1.96 0.005 . 1 . . . . . . . . 4812 2 60 . 1 1 10 10 PHE H H 1 7.92 0.005 . 1 . . . . . . . . 4812 2 61 . 1 1 10 10 PHE HA H 1 4.91 0.005 . 1 . . . . . . . . 4812 2 62 . 1 1 10 10 PHE HB2 H 1 2.88 0.005 . 2 . . . . . . . . 4812 2 63 . 1 1 10 10 PHE HB3 H 1 3.12 0.005 . 2 . . . . . . . . 4812 2 64 . 1 1 10 10 PHE HD1 H 1 7.29 0.005 . 1 . . . . . . . . 4812 2 65 . 1 1 10 10 PHE HD2 H 1 7.29 0.005 . 1 . . . . . . . . 4812 2 66 . 1 1 10 10 PHE HE1 H 1 7.37 0.005 . 1 . . . . . . . . 4812 2 67 . 1 1 10 10 PHE HE2 H 1 7.37 0.005 . 1 . . . . . . . . 4812 2 68 . 1 1 10 10 PHE HZ H 1 7.43 0.005 . 1 . . . . . . . . 4812 2 69 . 1 1 11 11 CYS H H 1 8.09 0.005 . 1 . . . . . . . . 4812 2 70 . 1 1 11 11 CYS HA H 1 4.82 0.005 . 1 . . . . . . . . 4812 2 71 . 1 1 11 11 CYS HB2 H 1 3.37 0.005 . 2 . . . . . . . . 4812 2 72 . 1 1 11 11 CYS HB3 H 1 3.97 0.005 . 2 . . . . . . . . 4812 2 73 . 1 1 12 12 GLY H H 1 8.69 0.005 . 1 . . . . . . . . 4812 2 74 . 1 1 12 12 GLY HA2 H 1 3.66 0.005 . 2 . . . . . . . . 4812 2 75 . 1 1 12 12 GLY HA3 H 1 4.59 0.005 . 2 . . . . . . . . 4812 2 76 . 1 1 13 13 LYS H H 1 6.96 0.005 . 1 . . . . . . . . 4812 2 77 . 1 1 13 13 LYS HA H 1 4.34 0.005 . 1 . . . . . . . . 4812 2 78 . 1 1 13 13 LYS HB2 H 1 1.59 0.005 . 2 . . . . . . . . 4812 2 79 . 1 1 13 13 LYS HB3 H 1 1.84 0.005 . 2 . . . . . . . . 4812 2 80 . 1 1 13 13 LYS HG2 H 1 1.48 0.005 . 1 . . . . . . . . 4812 2 81 . 1 1 13 13 LYS HG3 H 1 1.48 0.005 . 1 . . . . . . . . 4812 2 82 . 1 1 13 13 LYS HD2 H 1 1.71 0.005 . 1 . . . . . . . . 4812 2 83 . 1 1 13 13 LYS HD3 H 1 1.71 0.005 . 1 . . . . . . . . 4812 2 84 . 1 1 13 13 LYS HE2 H 1 3.05 0.005 . 1 . . . . . . . . 4812 2 85 . 1 1 13 13 LYS HE3 H 1 3.05 0.005 . 1 . . . . . . . . 4812 2 86 . 1 1 14 14 PHE H H 1 7.80 0.005 . 1 . . . . . . . . 4812 2 87 . 1 1 14 14 PHE HA H 1 5.32 0.005 . 1 . . . . . . . . 4812 2 88 . 1 1 14 14 PHE HB2 H 1 2.64 0.005 . 2 . . . . . . . . 4812 2 89 . 1 1 14 14 PHE HB3 H 1 2.80 0.005 . 2 . . . . . . . . 4812 2 90 . 1 1 14 14 PHE HD1 H 1 7.05 0.005 . 1 . . . . . . . . 4812 2 91 . 1 1 14 14 PHE HD2 H 1 7.05 0.005 . 1 . . . . . . . . 4812 2 92 . 1 1 14 14 PHE HE1 H 1 7.39 0.005 . 1 . . . . . . . . 4812 2 93 . 1 1 14 14 PHE HE2 H 1 7.39 0.005 . 1 . . . . . . . . 4812 2 94 . 1 1 14 14 PHE HZ H 1 7.40 0.005 . 1 . . . . . . . . 4812 2 95 . 1 1 15 15 GLN H H 1 9.03 0.005 . 1 . . . . . . . . 4812 2 96 . 1 1 15 15 GLN HA H 1 4.77 0.005 . 1 . . . . . . . . 4812 2 97 . 1 1 15 15 GLN HB2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 2 98 . 1 1 15 15 GLN HB3 H 1 2.05 0.005 . 2 . . . . . . . . 4812 2 99 . 1 1 15 15 GLN HG2 H 1 2.14 0.005 . 2 . . . . . . . . 4812 2 100 . 1 1 15 15 GLN HG3 H 1 2.30 0.005 . 2 . . . . . . . . 4812 2 101 . 1 1 15 15 GLN HE21 H 1 6.99 0.005 . 2 . . . . . . . . 4812 2 102 . 1 1 15 15 GLN HE22 H 1 7.30 0.005 . 2 . . . . . . . . 4812 2 103 . 1 1 16 16 ILE H H 1 8.75 0.005 . 1 . . . . . . . . 4812 2 104 . 1 1 16 16 ILE HA H 1 4.38 0.005 . 1 . . . . . . . . 4812 2 105 . 1 1 16 16 ILE HB H 1 1.82 0.005 . 1 . . . . . . . . 4812 2 106 . 1 1 16 16 ILE HG12 H 1 1.27 0.005 . 2 . . . . . . . . 4812 2 107 . 1 1 16 16 ILE HG13 H 1 1.72 0.005 . 2 . . . . . . . . 4812 2 108 . 1 1 16 16 ILE HG21 H 1 1.00 0.005 . 1 . . . . . . . . 4812 2 109 . 1 1 16 16 ILE HG22 H 1 1.00 0.005 . 1 . . . . . . . . 4812 2 110 . 1 1 16 16 ILE HG23 H 1 1.00 0.005 . 1 . . . . . . . . 4812 2 111 . 1 1 16 16 ILE HD11 H 1 0.97 0.005 . 1 . . . . . . . . 4812 2 112 . 1 1 16 16 ILE HD12 H 1 0.97 0.005 . 1 . . . . . . . . 4812 2 113 . 1 1 16 16 ILE HD13 H 1 0.97 0.005 . 1 . . . . . . . . 4812 2 114 . 1 1 17 17 CYS H H 1 8.93 0.005 . 1 . . . . . . . . 4812 2 115 . 1 1 17 17 CYS HA H 1 4.81 0.005 . 1 . . . . . . . . 4812 2 116 . 1 1 17 17 CYS HB2 H 1 2.81 0.005 . 2 . . . . . . . . 4812 2 117 . 1 1 17 17 CYS HB3 H 1 3.65 0.005 . 2 . . . . . . . . 4812 2 118 . 1 1 18 18 ARG H H 1 8.38 0.005 . 1 . . . . . . . . 4812 2 119 . 1 1 18 18 ARG HA H 1 4.49 0.005 . 1 . . . . . . . . 4812 2 120 . 1 1 18 18 ARG HB2 H 1 1.70 0.005 . 2 . . . . . . . . 4812 2 121 . 1 1 18 18 ARG HB3 H 1 1.97 0.005 . 2 . . . . . . . . 4812 2 122 . 1 1 18 18 ARG HG2 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 123 . 1 1 18 18 ARG HG3 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 124 . 1 1 18 18 ARG HD2 H 1 3.27 0.005 . 1 . . . . . . . . 4812 2 125 . 1 1 18 18 ARG HD3 H 1 3.27 0.005 . 1 . . . . . . . . 4812 2 126 . 1 1 18 18 ARG HE H 1 7.18 0.005 . 1 . . . . . . . . 4812 2 127 . 1 1 19 19 ASN H H 1 8.77 0.005 . 1 . . . . . . . . 4812 2 128 . 1 1 19 19 ASN HA H 1 4.48 0.005 . 1 . . . . . . . . 4812 2 129 . 1 1 19 19 ASN HB2 H 1 2.83 0.005 . 1 . . . . . . . . 4812 2 130 . 1 1 19 19 ASN HB3 H 1 2.83 0.005 . 1 . . . . . . . . 4812 2 131 . 1 1 19 19 ASN HD21 H 1 6.96 0.005 . 2 . . . . . . . . 4812 2 132 . 1 1 19 19 ASN HD22 H 1 7.62 0.005 . 2 . . . . . . . . 4812 2 133 . 1 1 20 20 GLY H H 1 8.76 0.005 . 1 . . . . . . . . 4812 2 134 . 1 1 20 20 GLY HA2 H 1 3.70 0.005 . 2 . . . . . . . . 4812 2 135 . 1 1 20 20 GLY HA3 H 1 4.25 0.005 . 2 . . . . . . . . 4812 2 136 . 1 1 21 21 GLU H H 1 7.94 0.005 . 1 . . . . . . . . 4812 2 137 . 1 1 21 21 GLU HA H 1 4.26 0.005 . 1 . . . . . . . . 4812 2 138 . 1 1 21 21 GLU HB2 H 1 2.46 0.005 . 1 . . . . . . . . 4812 2 139 . 1 1 21 21 GLU HB3 H 1 2.46 0.005 . 1 . . . . . . . . 4812 2 140 . 1 1 21 21 GLU HG2 H 1 1.80 0.005 . 2 . . . . . . . . 4812 2 141 . 1 1 21 21 GLU HG3 H 1 2.15 0.005 . 2 . . . . . . . . 4812 2 142 . 1 1 22 22 LYS H H 1 7.61 0.005 . 1 . . . . . . . . 4812 2 143 . 1 1 22 22 LYS HA H 1 4.52 0.005 . 1 . . . . . . . . 4812 2 144 . 1 1 22 22 LYS HB2 H 1 1.82 0.005 . 1 . . . . . . . . 4812 2 145 . 1 1 22 22 LYS HB3 H 1 1.82 0.005 . 1 . . . . . . . . 4812 2 146 . 1 1 22 22 LYS HG2 H 1 1.47 0.005 . 1 . . . . . . . . 4812 2 147 . 1 1 22 22 LYS HG3 H 1 1.47 0.005 . 1 . . . . . . . . 4812 2 148 . 1 1 22 22 LYS HD2 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 149 . 1 1 22 22 LYS HD3 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 150 . 1 1 22 22 LYS HE2 H 1 3.09 0.005 . 1 . . . . . . . . 4812 2 151 . 1 1 22 22 LYS HE3 H 1 3.09 0.005 . 1 . . . . . . . . 4812 2 152 . 1 1 22 22 LYS HZ1 H 1 7.53 0.005 . 1 . . . . . . . . 4812 2 153 . 1 1 22 22 LYS HZ2 H 1 7.53 0.005 . 1 . . . . . . . . 4812 2 154 . 1 1 22 22 LYS HZ3 H 1 7.53 0.005 . 1 . . . . . . . . 4812 2 155 . 1 1 23 23 ILE H H 1 8.13 0.005 . 1 . . . . . . . . 4812 2 156 . 1 1 23 23 ILE HA H 1 4.74 0.005 . 1 . . . . . . . . 4812 2 157 . 1 1 23 23 ILE HB H 1 1.89 0.005 . 1 . . . . . . . . 4812 2 158 . 1 1 23 23 ILE HG12 H 1 1.06 0.005 . 2 . . . . . . . . 4812 2 159 . 1 1 23 23 ILE HG13 H 1 1.27 0.005 . 2 . . . . . . . . 4812 2 160 . 1 1 23 23 ILE HG21 H 1 0.90 0.005 . 1 . . . . . . . . 4812 2 161 . 1 1 23 23 ILE HG22 H 1 0.90 0.005 . 1 . . . . . . . . 4812 2 162 . 1 1 23 23 ILE HG23 H 1 0.90 0.005 . 1 . . . . . . . . 4812 2 163 . 1 1 23 23 ILE HD11 H 1 0.83 0.005 . 1 . . . . . . . . 4812 2 164 . 1 1 23 23 ILE HD12 H 1 0.83 0.005 . 1 . . . . . . . . 4812 2 165 . 1 1 23 23 ILE HD13 H 1 0.83 0.005 . 1 . . . . . . . . 4812 2 166 . 1 1 24 24 CYS H H 1 9.18 0.005 . 1 . . . . . . . . 4812 2 167 . 1 1 24 24 CYS HA H 1 5.97 0.005 . 1 . . . . . . . . 4812 2 168 . 1 1 24 24 CYS HB2 H 1 2.98 0.005 . 1 . . . . . . . . 4812 2 169 . 1 1 24 24 CYS HB3 H 1 2.98 0.005 . 1 . . . . . . . . 4812 2 170 . 1 1 25 25 PHE H H 1 8.93 0.005 . 1 . . . . . . . . 4812 2 171 . 1 1 25 25 PHE HA H 1 6.29 0.005 . 1 . . . . . . . . 4812 2 172 . 1 1 25 25 PHE HB2 H 1 2.82 0.005 . 2 . . . . . . . . 4812 2 173 . 1 1 25 25 PHE HB3 H 1 3.09 0.005 . 2 . . . . . . . . 4812 2 174 . 1 1 25 25 PHE HD1 H 1 6.83 0.005 . 1 . . . . . . . . 4812 2 175 . 1 1 25 25 PHE HD2 H 1 6.83 0.005 . 1 . . . . . . . . 4812 2 176 . 1 1 25 25 PHE HE1 H 1 7.08 0.005 . 1 . . . . . . . . 4812 2 177 . 1 1 25 25 PHE HE2 H 1 7.08 0.005 . 1 . . . . . . . . 4812 2 178 . 1 1 25 25 PHE HZ H 1 7.22 0.005 . 1 . . . . . . . . 4812 2 179 . 1 1 26 26 LYS H H 1 9.09 0.005 . 1 . . . . . . . . 4812 2 180 . 1 1 26 26 LYS HA H 1 5.14 0.005 . 1 . . . . . . . . 4812 2 181 . 1 1 26 26 LYS HB2 H 1 1.74 0.005 . 1 . . . . . . . . 4812 2 182 . 1 1 26 26 LYS HB3 H 1 1.74 0.005 . 1 . . . . . . . . 4812 2 183 . 1 1 26 26 LYS HG2 H 1 1.06 0.005 . 2 . . . . . . . . 4812 2 184 . 1 1 26 26 LYS HG3 H 1 1.56 0.005 . 2 . . . . . . . . 4812 2 185 . 1 1 26 26 LYS HD2 H 1 0.92 0.005 . 2 . . . . . . . . 4812 2 186 . 1 1 26 26 LYS HD3 H 1 1.20 0.005 . 2 . . . . . . . . 4812 2 187 . 1 1 26 26 LYS HE2 H 1 2.21 0.005 . 2 . . . . . . . . 4812 2 188 . 1 1 26 26 LYS HE3 H 1 2.47 0.005 . 2 . . . . . . . . 4812 2 189 . 1 1 27 27 LYS H H 1 9.50 0.005 . 1 . . . . . . . . 4812 2 190 . 1 1 27 27 LYS HA H 1 5.21 0.005 . 1 . . . . . . . . 4812 2 191 . 1 1 27 27 LYS HB2 H 1 1.97 0.005 . 1 . . . . . . . . 4812 2 192 . 1 1 27 27 LYS HB3 H 1 1.97 0.005 . 1 . . . . . . . . 4812 2 193 . 1 1 27 27 LYS HG2 H 1 1.49 0.005 . 1 . . . . . . . . 4812 2 194 . 1 1 27 27 LYS HG3 H 1 1.49 0.005 . 1 . . . . . . . . 4812 2 195 . 1 1 27 27 LYS HD2 H 1 1.60 0.005 . 1 . . . . . . . . 4812 2 196 . 1 1 27 27 LYS HD3 H 1 1.60 0.005 . 1 . . . . . . . . 4812 2 197 . 1 1 27 27 LYS HE2 H 1 2.83 0.005 . 1 . . . . . . . . 4812 2 198 . 1 1 27 27 LYS HE3 H 1 2.83 0.005 . 1 . . . . . . . . 4812 2 199 . 1 1 28 28 LEU H H 1 9.07 0.005 . 1 . . . . . . . . 4812 2 200 . 1 1 28 28 LEU HA H 1 4.46 0.005 . 1 . . . . . . . . 4812 2 201 . 1 1 28 28 LEU HB2 H 1 1.59 0.005 . 2 . . . . . . . . 4812 2 202 . 1 1 28 28 LEU HB3 H 1 1.82 0.005 . 2 . . . . . . . . 4812 2 203 . 1 1 28 28 LEU HG H 1 1.45 0.005 . 1 . . . . . . . . 4812 2 204 . 1 1 28 28 LEU HD11 H 1 0.67 0.005 . 2 . . . . . . . . 4812 2 205 . 1 1 28 28 LEU HD12 H 1 0.67 0.005 . 2 . . . . . . . . 4812 2 206 . 1 1 28 28 LEU HD13 H 1 0.67 0.005 . 2 . . . . . . . . 4812 2 207 . 1 1 28 28 LEU HD21 H 1 0.74 0.005 . 2 . . . . . . . . 4812 2 208 . 1 1 28 28 LEU HD22 H 1 0.74 0.005 . 2 . . . . . . . . 4812 2 209 . 1 1 28 28 LEU HD23 H 1 0.74 0.005 . 2 . . . . . . . . 4812 2 210 . 1 1 29 29 HIS H H 1 9.06 0.005 . 1 . . . . . . . . 4812 2 211 . 1 1 29 29 HIS HA H 1 4.90 0.005 . 1 . . . . . . . . 4812 2 212 . 1 1 29 29 HIS HB2 H 1 2.93 0.005 . 2 . . . . . . . . 4812 2 213 . 1 1 29 29 HIS HB3 H 1 3.10 0.005 . 2 . . . . . . . . 4812 2 214 . 1 1 29 29 HIS HD2 H 1 7.21 0.005 . 1 . . . . . . . . 4812 2 215 . 1 1 29 29 HIS HE1 H 1 8.65 0.005 . 1 . . . . . . . . 4812 2 216 . 1 1 30 30 GLN H H 1 8.32 0.005 . 1 . . . . . . . . 4812 2 217 . 1 1 30 30 GLN HA H 1 4.32 0.005 . 1 . . . . . . . . 4812 2 218 . 1 1 30 30 GLN HB2 H 1 1.69 0.005 . 2 . . . . . . . . 4812 2 219 . 1 1 30 30 GLN HB3 H 1 1.94 0.005 . 2 . . . . . . . . 4812 2 220 . 1 1 30 30 GLN HG2 H 1 1.82 0.005 . 2 . . . . . . . . 4812 2 221 . 1 1 30 30 GLN HG3 H 1 2.10 0.005 . 2 . . . . . . . . 4812 2 222 . 1 1 30 30 GLN HE21 H 1 6.71 0.005 . 2 . . . . . . . . 4812 2 223 . 1 1 30 30 GLN HE22 H 1 7.34 0.005 . 2 . . . . . . . . 4812 2 224 . 1 1 31 31 ARG H H 1 8.59 0.005 . 1 . . . . . . . . 4812 2 225 . 1 1 31 31 ARG HA H 1 4.21 0.005 . 1 . . . . . . . . 4812 2 226 . 1 1 31 31 ARG HB2 H 1 1.61 0.005 . 2 . . . . . . . . 4812 2 227 . 1 1 31 31 ARG HB3 H 1 1.78 0.005 . 2 . . . . . . . . 4812 2 228 . 1 1 31 31 ARG HG2 H 1 1.27 0.005 . 2 . . . . . . . . 4812 2 229 . 1 1 31 31 ARG HG3 H 1 1.34 0.005 . 2 . . . . . . . . 4812 2 230 . 1 1 31 31 ARG HD2 H 1 3.02 0.005 . 1 . . . . . . . . 4812 2 231 . 1 1 31 31 ARG HD3 H 1 3.02 0.005 . 1 . . . . . . . . 4812 2 232 . 1 1 32 32 ARG H H 1 7.80 0.005 . 1 . . . . . . . . 4812 2 233 . 1 1 32 32 ARG HA H 1 4.56 0.005 . 1 . . . . . . . . 4812 2 234 . 1 1 32 32 ARG HB2 H 1 1.76 0.005 . 2 . . . . . . . . 4812 2 235 . 1 1 32 32 ARG HB3 H 1 1.92 0.005 . 2 . . . . . . . . 4812 2 236 . 1 1 32 32 ARG HG2 H 1 1.59 0.005 . 1 . . . . . . . . 4812 2 237 . 1 1 32 32 ARG HG3 H 1 1.59 0.005 . 1 . . . . . . . . 4812 2 238 . 1 1 32 32 ARG HD2 H 1 3.20 0.005 . 1 . . . . . . . . 4812 2 239 . 1 1 32 32 ARG HD3 H 1 3.20 0.005 . 1 . . . . . . . . 4812 2 240 . 1 1 32 32 ARG HE H 1 7.14 0.005 . 1 . . . . . . . . 4812 2 241 . 1 1 33 33 PRO HA H 1 4.29 0.005 . 1 . . . . . . . . 4812 2 242 . 1 1 33 33 PRO HB2 H 1 2.09 0.005 . 2 . . . . . . . . 4812 2 243 . 1 1 33 33 PRO HB3 H 1 2.28 0.005 . 2 . . . . . . . . 4812 2 244 . 1 1 33 33 PRO HG2 H 1 1.80 0.005 . 2 . . . . . . . . 4812 2 245 . 1 1 33 33 PRO HG3 H 1 1.90 0.005 . 2 . . . . . . . . 4812 2 246 . 1 1 33 33 PRO HD2 H 1 3.48 0.005 . 2 . . . . . . . . 4812 2 247 . 1 1 33 33 PRO HD3 H 1 3.74 0.005 . 2 . . . . . . . . 4812 2 248 . 1 1 34 34 LEU H H 1 8.30 0.005 . 1 . . . . . . . . 4812 2 249 . 1 1 34 34 LEU HA H 1 4.08 0.005 . 1 . . . . . . . . 4812 2 250 . 1 1 34 34 LEU HB2 H 1 1.66 0.005 . 2 . . . . . . . . 4812 2 251 . 1 1 34 34 LEU HB3 H 1 1.82 0.005 . 2 . . . . . . . . 4812 2 252 . 1 1 34 34 LEU HG H 1 1.60 0.005 . 1 . . . . . . . . 4812 2 253 . 1 1 34 34 LEU HD11 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 254 . 1 1 34 34 LEU HD12 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 255 . 1 1 34 34 LEU HD13 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 256 . 1 1 34 34 LEU HD21 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 257 . 1 1 34 34 LEU HD22 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 258 . 1 1 34 34 LEU HD23 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 259 . 1 1 35 35 SER H H 1 7.91 0.005 . 1 . . . . . . . . 4812 2 260 . 1 1 35 35 SER HA H 1 4.51 0.005 . 1 . . . . . . . . 4812 2 261 . 1 1 35 35 SER HB2 H 1 3.79 0.005 . 1 . . . . . . . . 4812 2 262 . 1 1 35 35 SER HB3 H 1 3.79 0.005 . 1 . . . . . . . . 4812 2 263 . 1 1 36 36 TRP H H 1 8.21 0.005 . 1 . . . . . . . . 4812 2 264 . 1 1 36 36 TRP HA H 1 4.88 0.005 . 1 . . . . . . . . 4812 2 265 . 1 1 36 36 TRP HB2 H 1 3.15 0.005 . 1 . . . . . . . . 4812 2 266 . 1 1 36 36 TRP HB3 H 1 3.15 0.005 . 1 . . . . . . . . 4812 2 267 . 1 1 36 36 TRP HD1 H 1 7.24 0.005 . 1 . . . . . . . . 4812 2 268 . 1 1 36 36 TRP HE1 H 1 10.03 0.005 . 1 . . . . . . . . 4812 2 269 . 1 1 36 36 TRP HE3 H 1 7.58 0.005 . 1 . . . . . . . . 4812 2 270 . 1 1 36 36 TRP HZ2 H 1 7.52 0.005 . 1 . . . . . . . . 4812 2 271 . 1 1 36 36 TRP HZ3 H 1 7.13 0.005 . 1 . . . . . . . . 4812 2 272 . 1 1 36 36 TRP HH2 H 1 7.27 0.005 . 1 . . . . . . . . 4812 2 273 . 1 1 37 37 ARG H H 1 7.58 0.005 . 1 . . . . . . . . 4812 2 274 . 1 1 37 37 ARG HA H 1 4.53 0.005 . 1 . . . . . . . . 4812 2 275 . 1 1 37 37 ARG HB2 H 1 1.83 0.005 . 1 . . . . . . . . 4812 2 276 . 1 1 37 37 ARG HB3 H 1 1.83 0.005 . 1 . . . . . . . . 4812 2 277 . 1 1 37 37 ARG HG2 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 278 . 1 1 37 37 ARG HG3 H 1 1.76 0.005 . 1 . . . . . . . . 4812 2 279 . 1 1 38 38 TYR H H 1 9.14 0.005 . 1 . . . . . . . . 4812 2 280 . 1 1 38 38 TYR HA H 1 5.37 0.005 . 1 . . . . . . . . 4812 2 281 . 1 1 38 38 TYR HB2 H 1 2.63 0.005 . 2 . . . . . . . . 4812 2 282 . 1 1 38 38 TYR HB3 H 1 2.86 0.005 . 2 . . . . . . . . 4812 2 283 . 1 1 38 38 TYR HD1 H 1 6.84 0.005 . 1 . . . . . . . . 4812 2 284 . 1 1 38 38 TYR HD2 H 1 6.84 0.005 . 1 . . . . . . . . 4812 2 285 . 1 1 38 38 TYR HE1 H 1 6.92 0.005 . 1 . . . . . . . . 4812 2 286 . 1 1 38 38 TYR HE2 H 1 6.92 0.005 . 1 . . . . . . . . 4812 2 287 . 1 1 39 39 ILE H H 1 9.07 0.005 . 1 . . . . . . . . 4812 2 288 . 1 1 39 39 ILE HA H 1 4.31 0.005 . 1 . . . . . . . . 4812 2 289 . 1 1 39 39 ILE HB H 1 1.71 0.005 . 1 . . . . . . . . 4812 2 290 . 1 1 39 39 ILE HG12 H 1 1.14 0.005 . 2 . . . . . . . . 4812 2 291 . 1 1 39 39 ILE HG13 H 1 1.52 0.005 . 2 . . . . . . . . 4812 2 292 . 1 1 39 39 ILE HG21 H 1 1.06 0.005 . 1 . . . . . . . . 4812 2 293 . 1 1 39 39 ILE HG22 H 1 1.06 0.005 . 1 . . . . . . . . 4812 2 294 . 1 1 39 39 ILE HG23 H 1 1.06 0.005 . 1 . . . . . . . . 4812 2 295 . 1 1 39 39 ILE HD11 H 1 0.73 0.005 . 1 . . . . . . . . 4812 2 296 . 1 1 39 39 ILE HD12 H 1 0.73 0.005 . 1 . . . . . . . . 4812 2 297 . 1 1 39 39 ILE HD13 H 1 0.73 0.005 . 1 . . . . . . . . 4812 2 298 . 1 1 40 40 ARG H H 1 8.31 0.005 . 1 . . . . . . . . 4812 2 299 . 1 1 40 40 ARG HA H 1 4.79 0.005 . 1 . . . . . . . . 4812 2 300 . 1 1 40 40 ARG HB2 H 1 1.30 0.005 . 2 . . . . . . . . 4812 2 301 . 1 1 40 40 ARG HB3 H 1 1.39 0.005 . 2 . . . . . . . . 4812 2 302 . 1 1 40 40 ARG HG2 H 1 1.42 0.005 . 2 . . . . . . . . 4812 2 303 . 1 1 40 40 ARG HG3 H 1 1.71 0.005 . 2 . . . . . . . . 4812 2 304 . 1 1 40 40 ARG HD2 H 1 3.19 0.005 . 1 . . . . . . . . 4812 2 305 . 1 1 40 40 ARG HD3 H 1 3.19 0.005 . 1 . . . . . . . . 4812 2 306 . 1 1 40 40 ARG HE H 1 6.59 0.005 . 1 . . . . . . . . 4812 2 307 . 1 1 41 41 GLY H H 1 6.27 0.005 . 1 . . . . . . . . 4812 2 308 . 1 1 41 41 GLY HA2 H 1 3.89 0.005 . 2 . . . . . . . . 4812 2 309 . 1 1 41 41 GLY HA3 H 1 4.00 0.005 . 2 . . . . . . . . 4812 2 310 . 1 1 42 42 CYS H H 1 8.14 0.005 . 1 . . . . . . . . 4812 2 311 . 1 1 42 42 CYS HA H 1 5.74 0.005 . 1 . . . . . . . . 4812 2 312 . 1 1 42 42 CYS HB2 H 1 2.78 0.005 . 2 . . . . . . . . 4812 2 313 . 1 1 42 42 CYS HB3 H 1 3.25 0.005 . 2 . . . . . . . . 4812 2 314 . 1 1 43 43 ALA H H 1 9.47 0.005 . 1 . . . . . . . . 4812 2 315 . 1 1 43 43 ALA HA H 1 4.78 0.005 . 1 . . . . . . . . 4812 2 316 . 1 1 43 43 ALA HB1 H 1 1.55 0.005 . 1 . . . . . . . . 4812 2 317 . 1 1 43 43 ALA HB2 H 1 1.55 0.005 . 1 . . . . . . . . 4812 2 318 . 1 1 43 43 ALA HB3 H 1 1.55 0.005 . 1 . . . . . . . . 4812 2 319 . 1 1 44 44 ASP H H 1 9.02 0.005 . 1 . . . . . . . . 4812 2 320 . 1 1 44 44 ASP HA H 1 4.88 0.005 . 1 . . . . . . . . 4812 2 321 . 1 1 44 44 ASP HB2 H 1 2.97 0.005 . 1 . . . . . . . . 4812 2 322 . 1 1 44 44 ASP HB3 H 1 2.97 0.005 . 1 . . . . . . . . 4812 2 323 . 1 1 45 45 THR H H 1 7.38 0.005 . 1 . . . . . . . . 4812 2 324 . 1 1 45 45 THR HA H 1 4.41 0.005 . 1 . . . . . . . . 4812 2 325 . 1 1 45 45 THR HB H 1 4.07 0.005 . 1 . . . . . . . . 4812 2 326 . 1 1 45 45 THR HG21 H 1 1.10 0.005 . 1 . . . . . . . . 4812 2 327 . 1 1 45 45 THR HG22 H 1 1.10 0.005 . 1 . . . . . . . . 4812 2 328 . 1 1 45 45 THR HG23 H 1 1.10 0.005 . 1 . . . . . . . . 4812 2 329 . 1 1 46 46 CYS H H 1 8.81 0.005 . 1 . . . . . . . . 4812 2 330 . 1 1 46 46 CYS HA H 1 4.72 0.005 . 1 . . . . . . . . 4812 2 331 . 1 1 46 46 CYS HB2 H 1 2.95 0.005 . 2 . . . . . . . . 4812 2 332 . 1 1 46 46 CYS HB3 H 1 3.06 0.005 . 2 . . . . . . . . 4812 2 333 . 1 1 47 47 PRO HA H 1 4.25 0.005 . 1 . . . . . . . . 4812 2 334 . 1 1 47 47 PRO HB2 H 1 1.55 0.005 . 2 . . . . . . . . 4812 2 335 . 1 1 47 47 PRO HB3 H 1 2.00 0.005 . 2 . . . . . . . . 4812 2 336 . 1 1 47 47 PRO HG2 H 1 1.14 0.005 . 2 . . . . . . . . 4812 2 337 . 1 1 47 47 PRO HG3 H 1 1.23 0.005 . 2 . . . . . . . . 4812 2 338 . 1 1 47 47 PRO HD2 H 1 3.33 0.005 . 2 . . . . . . . . 4812 2 339 . 1 1 47 47 PRO HD3 H 1 3.64 0.005 . 2 . . . . . . . . 4812 2 340 . 1 1 48 48 VAL H H 1 7.83 0.005 . 1 . . . . . . . . 4812 2 341 . 1 1 48 48 VAL HA H 1 4.07 0.005 . 1 . . . . . . . . 4812 2 342 . 1 1 48 48 VAL HB H 1 1.97 0.005 . 1 . . . . . . . . 4812 2 343 . 1 1 48 48 VAL HG11 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 344 . 1 1 48 48 VAL HG12 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 345 . 1 1 48 48 VAL HG13 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 346 . 1 1 48 48 VAL HG21 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 347 . 1 1 48 48 VAL HG22 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 348 . 1 1 48 48 VAL HG23 H 1 0.94 0.005 . 1 . . . . . . . . 4812 2 349 . 1 1 49 49 GLY H H 1 8.32 0.005 . 1 . . . . . . . . 4812 2 350 . 1 1 49 49 GLY HA2 H 1 3.76 0.005 . 2 . . . . . . . . 4812 2 351 . 1 1 49 49 GLY HA3 H 1 4.26 0.005 . 2 . . . . . . . . 4812 2 352 . 1 1 50 50 LYS H H 1 8.39 0.005 . 1 . . . . . . . . 4812 2 353 . 1 1 50 50 LYS HA H 1 4.60 0.005 . 1 . . . . . . . . 4812 2 354 . 1 1 50 50 LYS HB2 H 1 1.19 0.005 . 1 . . . . . . . . 4812 2 355 . 1 1 50 50 LYS HB3 H 1 1.19 0.005 . 1 . . . . . . . . 4812 2 356 . 1 1 50 50 LYS HG2 H 1 1.65 0.005 . 1 . . . . . . . . 4812 2 357 . 1 1 50 50 LYS HG3 H 1 1.65 0.005 . 1 . . . . . . . . 4812 2 358 . 1 1 50 50 LYS HD2 H 1 1.51 0.005 . 2 . . . . . . . . 4812 2 359 . 1 1 50 50 LYS HD3 H 1 1.70 0.005 . 2 . . . . . . . . 4812 2 360 . 1 1 51 51 PRO HA H 1 4.33 0.005 . 1 . . . . . . . . 4812 2 361 . 1 1 51 51 PRO HB2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 2 362 . 1 1 51 51 PRO HB3 H 1 2.40 0.005 . 2 . . . . . . . . 4812 2 363 . 1 1 51 51 PRO HG2 H 1 2.13 0.005 . 2 . . . . . . . . 4812 2 364 . 1 1 51 51 PRO HG3 H 1 2.21 0.005 . 2 . . . . . . . . 4812 2 365 . 1 1 51 51 PRO HD2 H 1 3.71 0.005 . 2 . . . . . . . . 4812 2 366 . 1 1 51 51 PRO HD3 H 1 3.92 0.005 . 2 . . . . . . . . 4812 2 367 . 1 1 52 52 TYR H H 1 7.15 0.005 . 1 . . . . . . . . 4812 2 368 . 1 1 52 52 TYR HA H 1 4.52 0.005 . 1 . . . . . . . . 4812 2 369 . 1 1 52 52 TYR HB2 H 1 3.08 0.005 . 2 . . . . . . . . 4812 2 370 . 1 1 52 52 TYR HB3 H 1 3.34 0.005 . 2 . . . . . . . . 4812 2 371 . 1 1 52 52 TYR HD1 H 1 6.88 0.005 . 1 . . . . . . . . 4812 2 372 . 1 1 52 52 TYR HD2 H 1 6.88 0.005 . 1 . . . . . . . . 4812 2 373 . 1 1 52 52 TYR HE1 H 1 7.10 0.005 . 1 . . . . . . . . 4812 2 374 . 1 1 52 52 TYR HE2 H 1 7.10 0.005 . 1 . . . . . . . . 4812 2 375 . 1 1 53 53 GLU H H 1 7.61 0.005 . 1 . . . . . . . . 4812 2 376 . 1 1 53 53 GLU HA H 1 4.42 0.005 . 1 . . . . . . . . 4812 2 377 . 1 1 53 53 GLU HB2 H 1 2.12 0.005 . 1 . . . . . . . . 4812 2 378 . 1 1 53 53 GLU HB3 H 1 2.12 0.005 . 1 . . . . . . . . 4812 2 379 . 1 1 53 53 GLU HG2 H 1 1.97 0.005 . 2 . . . . . . . . 4812 2 380 . 1 1 53 53 GLU HG3 H 1 2.23 0.005 . 2 . . . . . . . . 4812 2 381 . 1 1 54 54 MET H H 1 8.08 0.005 . 1 . . . . . . . . 4812 2 382 . 1 1 54 54 MET HA H 1 4.34 0.005 . 1 . . . . . . . . 4812 2 383 . 1 1 54 54 MET HB2 H 1 2.15 0.005 . 2 . . . . . . . . 4812 2 384 . 1 1 54 54 MET HB3 H 1 2.23 0.005 . 2 . . . . . . . . 4812 2 385 . 1 1 54 54 MET HG2 H 1 2.59 0.005 . 2 . . . . . . . . 4812 2 386 . 1 1 54 54 MET HG3 H 1 2.70 0.005 . 2 . . . . . . . . 4812 2 387 . 1 1 54 54 MET HE1 H 1 2.75 0.005 . 1 . . . . . . . . 4812 2 388 . 1 1 54 54 MET HE2 H 1 2.75 0.005 . 1 . . . . . . . . 4812 2 389 . 1 1 54 54 MET HE3 H 1 2.75 0.005 . 1 . . . . . . . . 4812 2 390 . 1 1 55 55 ILE H H 1 8.37 0.005 . 1 . . . . . . . . 4812 2 391 . 1 1 55 55 ILE HA H 1 4.55 0.005 . 1 . . . . . . . . 4812 2 392 . 1 1 55 55 ILE HB H 1 1.71 0.005 . 1 . . . . . . . . 4812 2 393 . 1 1 55 55 ILE HG12 H 1 0.93 0.005 . 2 . . . . . . . . 4812 2 394 . 1 1 55 55 ILE HG13 H 1 1.61 0.005 . 2 . . . . . . . . 4812 2 395 . 1 1 55 55 ILE HG21 H 1 0.92 0.005 . 1 . . . . . . . . 4812 2 396 . 1 1 55 55 ILE HG22 H 1 0.92 0.005 . 1 . . . . . . . . 4812 2 397 . 1 1 55 55 ILE HG23 H 1 0.92 0.005 . 1 . . . . . . . . 4812 2 398 . 1 1 55 55 ILE HD11 H 1 0.71 0.005 . 1 . . . . . . . . 4812 2 399 . 1 1 55 55 ILE HD12 H 1 0.71 0.005 . 1 . . . . . . . . 4812 2 400 . 1 1 55 55 ILE HD13 H 1 0.71 0.005 . 1 . . . . . . . . 4812 2 401 . 1 1 56 56 GLU H H 1 8.97 0.005 . 1 . . . . . . . . 4812 2 402 . 1 1 56 56 GLU HA H 1 4.86 0.005 . 1 . . . . . . . . 4812 2 403 . 1 1 56 56 GLU HB2 H 1 2.06 0.005 . 2 . . . . . . . . 4812 2 404 . 1 1 56 56 GLU HB3 H 1 2.13 0.005 . 2 . . . . . . . . 4812 2 405 . 1 1 56 56 GLU HG2 H 1 2.27 0.005 . 2 . . . . . . . . 4812 2 406 . 1 1 56 56 GLU HG3 H 1 2.51 0.005 . 2 . . . . . . . . 4812 2 407 . 1 1 57 57 CYS H H 1 8.99 0.005 . 1 . . . . . . . . 4812 2 408 . 1 1 57 57 CYS HA H 1 5.51 0.005 . 1 . . . . . . . . 4812 2 409 . 1 1 57 57 CYS HB2 H 1 2.99 0.005 . 2 . . . . . . . . 4812 2 410 . 1 1 57 57 CYS HB3 H 1 3.75 0.005 . 2 . . . . . . . . 4812 2 411 . 1 1 58 58 CYS H H 1 9.32 0.005 . 1 . . . . . . . . 4812 2 412 . 1 1 58 58 CYS HA H 1 5.16 0.005 . 1 . . . . . . . . 4812 2 413 . 1 1 58 58 CYS HB2 H 1 3.53 0.005 . 2 . . . . . . . . 4812 2 414 . 1 1 58 58 CYS HB3 H 1 3.62 0.005 . 2 . . . . . . . . 4812 2 415 . 1 1 59 59 SER H H 1 9.05 0.005 . 1 . . . . . . . . 4812 2 416 . 1 1 59 59 SER HA H 1 5.08 0.005 . 1 . . . . . . . . 4812 2 417 . 1 1 59 59 SER HB2 H 1 4.02 0.005 . 2 . . . . . . . . 4812 2 418 . 1 1 59 59 SER HB3 H 1 4.20 0.005 . 2 . . . . . . . . 4812 2 419 . 1 1 60 60 THR H H 1 7.59 0.005 . 1 . . . . . . . . 4812 2 420 . 1 1 60 60 THR HA H 1 4.73 0.005 . 1 . . . . . . . . 4812 2 421 . 1 1 60 60 THR HB H 1 4.34 0.005 . 1 . . . . . . . . 4812 2 422 . 1 1 60 60 THR HG21 H 1 1.22 0.005 . 1 . . . . . . . . 4812 2 423 . 1 1 60 60 THR HG22 H 1 1.22 0.005 . 1 . . . . . . . . 4812 2 424 . 1 1 60 60 THR HG23 H 1 1.22 0.005 . 1 . . . . . . . . 4812 2 425 . 1 1 61 61 ASP H H 1 8.28 0.005 . 1 . . . . . . . . 4812 2 426 . 1 1 61 61 ASP HA H 1 4.82 0.005 . 1 . . . . . . . . 4812 2 427 . 1 1 61 61 ASP HB2 H 1 2.36 0.005 . 2 . . . . . . . . 4812 2 428 . 1 1 61 61 ASP HB3 H 1 2.57 0.005 . 2 . . . . . . . . 4812 2 429 . 1 1 62 62 LYS H H 1 9.47 0.005 . 1 . . . . . . . . 4812 2 430 . 1 1 62 62 LYS HA H 1 3.42 0.005 . 1 . . . . . . . . 4812 2 431 . 1 1 62 62 LYS HB2 H 1 1.80 0.005 . 2 . . . . . . . . 4812 2 432 . 1 1 62 62 LYS HB3 H 1 1.88 0.005 . 2 . . . . . . . . 4812 2 433 . 1 1 62 62 LYS HG2 H 1 0.68 0.005 . 2 . . . . . . . . 4812 2 434 . 1 1 62 62 LYS HG3 H 1 1.04 0.005 . 2 . . . . . . . . 4812 2 435 . 1 1 62 62 LYS HD2 H 1 1.27 0.005 . 1 . . . . . . . . 4812 2 436 . 1 1 62 62 LYS HD3 H 1 1.27 0.005 . 1 . . . . . . . . 4812 2 437 . 1 1 62 62 LYS HE2 H 1 2.36 0.005 . 1 . . . . . . . . 4812 2 438 . 1 1 62 62 LYS HE3 H 1 2.36 0.005 . 1 . . . . . . . . 4812 2 439 . 1 1 62 62 LYS HZ1 H 1 7.05 0.005 . 1 . . . . . . . . 4812 2 440 . 1 1 62 62 LYS HZ2 H 1 7.05 0.005 . 1 . . . . . . . . 4812 2 441 . 1 1 62 62 LYS HZ3 H 1 7.05 0.005 . 1 . . . . . . . . 4812 2 442 . 1 1 63 63 CYS H H 1 7.74 0.005 . 1 . . . . . . . . 4812 2 443 . 1 1 63 63 CYS HA H 1 4.41 0.005 . 1 . . . . . . . . 4812 2 444 . 1 1 63 63 CYS HB2 H 1 3.34 0.005 . 2 . . . . . . . . 4812 2 445 . 1 1 63 63 CYS HB3 H 1 3.75 0.005 . 2 . . . . . . . . 4812 2 446 . 1 1 64 64 ASN H H 1 9.28 0.005 . 1 . . . . . . . . 4812 2 447 . 1 1 64 64 ASN HA H 1 4.67 0.005 . 1 . . . . . . . . 4812 2 448 . 1 1 64 64 ASN HB2 H 1 2.17 0.005 . 2 . . . . . . . . 4812 2 449 . 1 1 64 64 ASN HB3 H 1 2.57 0.005 . 2 . . . . . . . . 4812 2 450 . 1 1 64 64 ASN HD21 H 1 7.75 0.005 . 2 . . . . . . . . 4812 2 451 . 1 1 64 64 ASN HD22 H 1 7.82 0.005 . 2 . . . . . . . . 4812 2 452 . 1 1 65 65 ARG H H 1 7.40 0.005 . 1 . . . . . . . . 4812 2 453 . 1 1 65 65 ARG HA H 1 3.72 0.005 . 1 . . . . . . . . 4812 2 454 . 1 1 65 65 ARG HB2 H 1 1.75 0.005 . 2 . . . . . . . . 4812 2 455 . 1 1 65 65 ARG HB3 H 1 1.82 0.005 . 2 . . . . . . . . 4812 2 456 . 1 1 65 65 ARG HG2 H 1 1.67 0.005 . 2 . . . . . . . . 4812 2 457 . 1 1 65 65 ARG HG3 H 1 1.80 0.005 . 2 . . . . . . . . 4812 2 458 . 1 1 65 65 ARG HD2 H 1 3.32 0.005 . 1 . . . . . . . . 4812 2 459 . 1 1 65 65 ARG HD3 H 1 3.32 0.005 . 1 . . . . . . . . 4812 2 460 . 1 1 65 65 ARG HE H 1 7.26 0.005 . 1 . . . . . . . . 4812 2 stop_ save_