data_30561 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30561 _Entry.Title ; NMR solution structure of Pisum sativum defensin 2 (Psd2) provides evidence for the presence of hydrophobic surface clusters ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-16 _Entry.Accession_date 2019-01-16 _Entry.Last_release_date 2019-08-15 _Entry.Original_release_date 2019-08-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30561 stop_ 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 R. Pinheiro-Aguiar R. . . . 30561 2 V. Amaral V. S.G. . . 30561 3 I. Bastos I. . . . 30561 4 E. Kurtenbach E. . . . 30561 5 F. Almeida F. C.L. . . 30561 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 30561 Psd1 . 30561 Psd2 . 30561 'antimicrobial peptides' . 30561 'plant defensins' . 30561 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30561 spectral_peak_list 1 30561 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 171 30561 '15N chemical shifts' 44 30561 '1H chemical shifts' 274 30561 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 . . 2019-08-16 . original BMRB . 30561 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6NOM . 30561 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30561 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/prot.25783 _Citation.PubMed_ID 31294889 _Citation.Full_citation . _Citation.Title ; Nuclear magnetic resonance solution structure of Pisum sativum defensin 2 provides evidence for the presence of hydrophobic surface-clusters. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM PSFGEY _Citation.Journal_ISSN 1097-0134 _Citation.Journal_CSD 0867 _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 2019 _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 R. Pinheiro-Aguiar R. . . . 30561 1 2 V. 'do Amaral' V. S.G. . . 30561 1 3 I. Pereira I. B. . . 30561 1 4 E. Kurtenbach E. . . . 30561 1 5 F. Almeida F. C.L. . . 30561 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30561 _Assembly.ID 1 _Assembly.Name Defensin-2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30561 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 30561 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . . . 30561 1 3 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . . . 30561 1 4 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 43 43 SG . . . . . . . . . . . . 30561 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30561 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KTCENLSGTFKGPCIPDGNC NKHCRNNEHLLSGRCRDDFR CWCTNRC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5414.161 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Antifungal protein Psd2' na 30561 1 'Defense-related peptide 2' na 30561 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 . LYS . 30561 1 2 . THR . 30561 1 3 . CYS . 30561 1 4 . GLU . 30561 1 5 . ASN . 30561 1 6 . LEU . 30561 1 7 . SER . 30561 1 8 . GLY . 30561 1 9 . THR . 30561 1 10 . PHE . 30561 1 11 . LYS . 30561 1 12 . GLY . 30561 1 13 . PRO . 30561 1 14 . CYS . 30561 1 15 . ILE . 30561 1 16 . PRO . 30561 1 17 . ASP . 30561 1 18 . GLY . 30561 1 19 . ASN . 30561 1 20 . CYS . 30561 1 21 . ASN . 30561 1 22 . LYS . 30561 1 23 . HIS . 30561 1 24 . CYS . 30561 1 25 . ARG . 30561 1 26 . ASN . 30561 1 27 . ASN . 30561 1 28 . GLU . 30561 1 29 . HIS . 30561 1 30 . LEU . 30561 1 31 . LEU . 30561 1 32 . SER . 30561 1 33 . GLY . 30561 1 34 . ARG . 30561 1 35 . CYS . 30561 1 36 . ARG . 30561 1 37 . ASP . 30561 1 38 . ASP . 30561 1 39 . PHE . 30561 1 40 . ARG . 30561 1 41 . CYS . 30561 1 42 . TRP . 30561 1 43 . CYS . 30561 1 44 . THR . 30561 1 45 . ASN . 30561 1 46 . ARG . 30561 1 47 . CYS . 30561 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 . LYS 1 1 30561 1 . THR 2 2 30561 1 . CYS 3 3 30561 1 . GLU 4 4 30561 1 . ASN 5 5 30561 1 . LEU 6 6 30561 1 . SER 7 7 30561 1 . GLY 8 8 30561 1 . THR 9 9 30561 1 . PHE 10 10 30561 1 . LYS 11 11 30561 1 . GLY 12 12 30561 1 . PRO 13 13 30561 1 . CYS 14 14 30561 1 . ILE 15 15 30561 1 . PRO 16 16 30561 1 . ASP 17 17 30561 1 . GLY 18 18 30561 1 . ASN 19 19 30561 1 . CYS 20 20 30561 1 . ASN 21 21 30561 1 . LYS 22 22 30561 1 . HIS 23 23 30561 1 . CYS 24 24 30561 1 . ARG 25 25 30561 1 . ASN 26 26 30561 1 . ASN 27 27 30561 1 . GLU 28 28 30561 1 . HIS 29 29 30561 1 . LEU 30 30 30561 1 . LEU 31 31 30561 1 . SER 32 32 30561 1 . GLY 33 33 30561 1 . ARG 34 34 30561 1 . CYS 35 35 30561 1 . ARG 36 36 30561 1 . ASP 37 37 30561 1 . ASP 38 38 30561 1 . PHE 39 39 30561 1 . ARG 40 40 30561 1 . CYS 41 41 30561 1 . TRP 42 42 30561 1 . CYS 43 43 30561 1 . THR 44 44 30561 1 . ASN 45 45 30561 1 . ARG 46 46 30561 1 . CYS 47 47 30561 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 30561 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 3888 organism . 'Pisum sativum' 'Garden pea' . . Eukaryota Viridiplantae Pisum sativum . . . . . . . . . . . . . 30561 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 30561 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Komagataella pastoris' . . 4922 Komagataella pastoris . . . . . . . . . . 30561 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30561 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] Psd2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Psd2 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM 0.005 . . . 30561 1 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30561 1 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 30561 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30561 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Psd2, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Psd2 'natural abundance' . . 1 $entity_1 . . 1 . . mM 0.005 . . . 30561 2 2 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 30561 2 3 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 30561 2 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 30561 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.012 . M 30561 1 pH 5.0 . pH 30561 1 pressure 1 . atm 30561 1 temperature 298 . K 30561 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30561 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30561 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30561 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30561 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30561 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30561 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30561 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30561 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30561 3 . 'peak picking' 30561 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30561 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30561 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30561 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30561 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryogenic probe head.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30561 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 30561 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 30561 _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 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30561 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30561 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'The chemical shift reference are calibrate with 15N-1H-HSQC.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 0.0 na indirect 1.0 . . . . . 30561 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30561 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _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' . . . 30561 1 2 '2D 1H-13C HSQC' . . . 30561 1 3 '3D HNCACB' . . . 30561 1 4 '3D CBCA(CO)NH' . . . 30561 1 5 '3D HNCA' . . . 30561 1 6 '3D HN(CO)CA' . . . 30561 1 7 '3D HNCO' . . . 30561 1 8 '3D HBHA(CO)NH' . . . 30561 1 9 '3D HCCH-TOCSY' . . . 30561 1 10 '2D 1H-13C HSQC aliphatic' . . . 30561 1 11 '2D 1H-1H NOESY' . . . 30561 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.172 0.02 . . . . . . A 1 LYS HA . 30561 1 2 . 1 1 1 1 LYS HB2 H 1 1.979 0.02 . . . . . . A 1 LYS HB2 . 30561 1 3 . 1 1 1 1 LYS HB3 H 1 1.981 0.02 . . . . . . A 1 LYS HB3 . 30561 1 4 . 1 1 1 1 LYS HG2 H 1 1.499 0.02 . . . . . . A 1 LYS HG2 . 30561 1 5 . 1 1 1 1 LYS HG3 H 1 1.499 0.02 . . . . . . A 1 LYS HG3 . 30561 1 6 . 1 1 1 1 LYS HD2 H 1 1.726 0.02 . . . . . . A 1 LYS HD2 . 30561 1 7 . 1 1 1 1 LYS HD3 H 1 1.724 0.02 . . . . . . A 1 LYS HD3 . 30561 1 8 . 1 1 1 1 LYS HE2 H 1 3.020 0.02 . . . . . . A 1 LYS HE2 . 30561 1 9 . 1 1 1 1 LYS HE3 H 1 3.020 0.02 . . . . . . A 1 LYS HE3 . 30561 1 10 . 1 1 1 1 LYS C C 13 172.522 . . . . . . . A 1 LYS C . 30561 1 11 . 1 1 1 1 LYS CA C 13 56.031 . . . . . . . A 1 LYS CA . 30561 1 12 . 1 1 1 1 LYS CB C 13 33.282 . . . . . . . A 1 LYS CB . 30561 1 13 . 1 1 1 1 LYS CG C 13 24.223 . . . . . . . A 1 LYS CG . 30561 1 14 . 1 1 2 2 THR H H 1 8.443 0.02 . . . . . . A 2 THR H . 30561 1 15 . 1 1 2 2 THR HA H 1 5.345 0.02 . . . . . . A 2 THR HA . 30561 1 16 . 1 1 2 2 THR HB H 1 4.082 0.02 . . . . . . A 2 THR HB . 30561 1 17 . 1 1 2 2 THR HG21 H 1 1.038 0.02 . . . . . . A 2 THR HG21 . 30561 1 18 . 1 1 2 2 THR HG22 H 1 1.038 0.02 . . . . . . A 2 THR HG22 . 30561 1 19 . 1 1 2 2 THR HG23 H 1 1.038 0.02 . . . . . . A 2 THR HG23 . 30561 1 20 . 1 1 2 2 THR C C 13 174.336 . . . . . . . A 2 THR C . 30561 1 21 . 1 1 2 2 THR CA C 13 60.478 . . . . . . . A 2 THR CA . 30561 1 22 . 1 1 2 2 THR CB C 13 71.313 . . . . . . . A 2 THR CB . 30561 1 23 . 1 1 2 2 THR CG2 C 13 21.313 . . . . . . . A 2 THR CG2 . 30561 1 24 . 1 1 2 2 THR N N 15 113.440 . . . . . . . A 2 THR N . 30561 1 25 . 1 1 3 3 CYS H H 1 9.069 0.02 . . . . . . A 3 CYS H . 30561 1 26 . 1 1 3 3 CYS HA H 1 5.093 0.02 . . . . . . A 3 CYS HA . 30561 1 27 . 1 1 3 3 CYS HB2 H 1 2.915 0.02 . . . . . . A 3 CYS HB2 . 30561 1 28 . 1 1 3 3 CYS HB3 H 1 2.744 0.02 . . . . . . A 3 CYS HB3 . 30561 1 29 . 1 1 3 3 CYS C C 13 172.084 . . . . . . . A 3 CYS C . 30561 1 30 . 1 1 3 3 CYS CA C 13 58.020 . . . . . . . A 3 CYS CA . 30561 1 31 . 1 1 3 3 CYS CB C 13 39.684 . . . . . . . A 3 CYS CB . 30561 1 32 . 1 1 3 3 CYS N N 15 118.528 . . . . . . . A 3 CYS N . 30561 1 33 . 1 1 4 4 GLU H H 1 8.731 0.02 . . . . . . A 4 GLU H . 30561 1 34 . 1 1 4 4 GLU HA H 1 5.535 0.02 . . . . . . A 4 GLU HA . 30561 1 35 . 1 1 4 4 GLU HB2 H 1 2.067 0.02 . . . . . . A 4 GLU HB2 . 30561 1 36 . 1 1 4 4 GLU HB3 H 1 1.804 0.02 . . . . . . A 4 GLU HB3 . 30561 1 37 . 1 1 4 4 GLU HG2 H 1 2.204 0.02 . . . . . . A 4 GLU HG2 . 30561 1 38 . 1 1 4 4 GLU HG3 H 1 2.279 0.02 . . . . . . A 4 GLU HG3 . 30561 1 39 . 1 1 4 4 GLU C C 13 175.287 . . . . . . . A 4 GLU C . 30561 1 40 . 1 1 4 4 GLU CA C 13 54.766 . . . . . . . A 4 GLU CA . 30561 1 41 . 1 1 4 4 GLU CB C 13 32.600 . . . . . . . A 4 GLU CB . 30561 1 42 . 1 1 4 4 GLU CG C 13 37.694 . . . . . . . A 4 GLU CG . 30561 1 43 . 1 1 4 4 GLU N N 15 122.946 . . . . . . . A 4 GLU N . 30561 1 44 . 1 1 5 5 ASN H H 1 8.980 0.02 . . . . . . A 5 ASN H . 30561 1 45 . 1 1 5 5 ASN HA H 1 5.261 0.02 . . . . . . A 5 ASN HA . 30561 1 46 . 1 1 5 5 ASN HB2 H 1 2.747 0.02 . . . . . . A 5 ASN HB2 . 30561 1 47 . 1 1 5 5 ASN HB3 H 1 2.470 0.02 . . . . . . A 5 ASN HB3 . 30561 1 48 . 1 1 5 5 ASN HD21 H 1 7.720 0.02 . . . . . . A 5 ASN HD21 . 30561 1 49 . 1 1 5 5 ASN HD22 H 1 6.930 0.02 . . . . . . A 5 ASN HD22 . 30561 1 50 . 1 1 5 5 ASN C C 13 173.118 . . . . . . . A 5 ASN C . 30561 1 51 . 1 1 5 5 ASN CA C 13 52.783 . . . . . . . A 5 ASN CA . 30561 1 52 . 1 1 5 5 ASN CB C 13 43.592 . . . . . . . A 5 ASN CB . 30561 1 53 . 1 1 5 5 ASN N N 15 121.726 . . . . . . . A 5 ASN N . 30561 1 54 . 1 1 5 5 ASN ND2 N 15 111.770 . . . . . . . A 5 ASN ND2 . 30561 1 55 . 1 1 6 6 LEU H H 1 8.144 0.02 . . . . . . A 6 LEU H . 30561 1 56 . 1 1 6 6 LEU HA H 1 3.071 0.02 . . . . . . A 6 LEU HA . 30561 1 57 . 1 1 6 6 LEU HB2 H 1 0.939 0.02 . . . . . . A 6 LEU HB2 . 30561 1 58 . 1 1 6 6 LEU HB3 H 1 0.750 0.02 . . . . . . A 6 LEU HB3 . 30561 1 59 . 1 1 6 6 LEU HG H 1 0.462 0.02 . . . . . . A 6 LEU HG . 30561 1 60 . 1 1 6 6 LEU HD11 H 1 0.261 0.02 . . . . . . A 6 LEU HD11 . 30561 1 61 . 1 1 6 6 LEU HD12 H 1 0.261 0.02 . . . . . . A 6 LEU HD12 . 30561 1 62 . 1 1 6 6 LEU HD13 H 1 0.261 0.02 . . . . . . A 6 LEU HD13 . 30561 1 63 . 1 1 6 6 LEU HD21 H 1 0.075 0.02 . . . . . . A 6 LEU HD21 . 30561 1 64 . 1 1 6 6 LEU HD22 H 1 0.075 0.02 . . . . . . A 6 LEU HD22 . 30561 1 65 . 1 1 6 6 LEU HD23 H 1 0.075 0.02 . . . . . . A 6 LEU HD23 . 30561 1 66 . 1 1 6 6 LEU C C 13 177.874 . . . . . . . A 6 LEU C . 30561 1 67 . 1 1 6 6 LEU CA C 13 55.751 . . . . . . . A 6 LEU CA . 30561 1 68 . 1 1 6 6 LEU CB C 13 42.187 . . . . . . . A 6 LEU CB . 30561 1 69 . 1 1 6 6 LEU CG C 13 24.649 . . . . . . . A 6 LEU CG . 30561 1 70 . 1 1 6 6 LEU CD1 C 13 26.205 . . . . . . . A 6 LEU CD1 . 30561 1 71 . 1 1 6 6 LEU CD2 C 13 24.215 . . . . . . . A 6 LEU CD2 . 30561 1 72 . 1 1 6 6 LEU N N 15 125.223 . . . . . . . A 6 LEU N . 30561 1 73 . 1 1 7 7 SER H H 1 8.626 0.02 . . . . . . A 7 SER H . 30561 1 74 . 1 1 7 7 SER HA H 1 4.476 0.02 . . . . . . A 7 SER HA . 30561 1 75 . 1 1 7 7 SER HB2 H 1 4.104 0.02 . . . . . . A 7 SER HB2 . 30561 1 76 . 1 1 7 7 SER HB3 H 1 3.518 0.02 . . . . . . A 7 SER HB3 . 30561 1 77 . 1 1 7 7 SER C C 13 177.070 . . . . . . . A 7 SER C . 30561 1 78 . 1 1 7 7 SER CA C 13 57.993 . . . . . . . A 7 SER CA . 30561 1 79 . 1 1 7 7 SER CB C 13 63.284 . . . . . . . A 7 SER CB . 30561 1 80 . 1 1 7 7 SER N N 15 117.413 . . . . . . . A 7 SER N . 30561 1 81 . 1 1 8 8 GLY H H 1 9.768 0.02 . . . . . . A 8 GLY H . 30561 1 82 . 1 1 8 8 GLY HA2 H 1 4.095 0.02 . . . . . . A 8 GLY HA2 . 30561 1 83 . 1 1 8 8 GLY HA3 H 1 3.890 0.02 . . . . . . A 8 GLY HA3 . 30561 1 84 . 1 1 8 8 GLY C C 13 175.406 . . . . . . . A 8 GLY C . 30561 1 85 . 1 1 8 8 GLY CA C 13 45.979 . . . . . . . A 8 GLY CA . 30561 1 86 . 1 1 8 8 GLY N N 15 118.429 . . . . . . . A 8 GLY N . 30561 1 87 . 1 1 9 9 THR H H 1 7.767 0.02 . . . . . . A 9 THR H . 30561 1 88 . 1 1 9 9 THR HA H 1 4.522 0.02 . . . . . . A 9 THR HA . 30561 1 89 . 1 1 9 9 THR HB H 1 4.482 0.02 . . . . . . A 9 THR HB . 30561 1 90 . 1 1 9 9 THR HG21 H 1 1.151 0.02 . . . . . . A 9 THR HG21 . 30561 1 91 . 1 1 9 9 THR HG22 H 1 1.151 0.02 . . . . . . A 9 THR HG22 . 30561 1 92 . 1 1 9 9 THR HG23 H 1 1.151 0.02 . . . . . . A 9 THR HG23 . 30561 1 93 . 1 1 9 9 THR C C 13 174.639 . . . . . . . A 9 THR C . 30561 1 94 . 1 1 9 9 THR CA C 13 61.137 . . . . . . . A 9 THR CA . 30561 1 95 . 1 1 9 9 THR CB C 13 70.651 . . . . . . . A 9 THR CB . 30561 1 96 . 1 1 9 9 THR CG2 C 13 22.021 . . . . . . . A 9 THR CG2 . 30561 1 97 . 1 1 9 9 THR N N 15 106.199 . . . . . . . A 9 THR N . 30561 1 98 . 1 1 10 10 PHE H H 1 7.831 0.02 . . . . . . A 10 PHE H . 30561 1 99 . 1 1 10 10 PHE HA H 1 3.439 0.02 . . . . . . A 10 PHE HA . 30561 1 100 . 1 1 10 10 PHE HB2 H 1 2.792 0.02 . . . . . . A 10 PHE HB2 . 30561 1 101 . 1 1 10 10 PHE HB3 H 1 2.406 0.02 . . . . . . A 10 PHE HB3 . 30561 1 102 . 1 1 10 10 PHE HD1 H 1 6.804 0.02 . . . . . . A 10 PHE HD1 . 30561 1 103 . 1 1 10 10 PHE HD2 H 1 6.804 0.02 . . . . . . A 10 PHE HD2 . 30561 1 104 . 1 1 10 10 PHE C C 13 174.825 . . . . . . . A 10 PHE C . 30561 1 105 . 1 1 10 10 PHE CA C 13 59.277 . . . . . . . A 10 PHE CA . 30561 1 106 . 1 1 10 10 PHE CB C 13 38.338 . . . . . . . A 10 PHE CB . 30561 1 107 . 1 1 10 10 PHE CD1 C 13 132.543 . . . . . . . A 10 PHE CD1 . 30561 1 108 . 1 1 10 10 PHE CD2 C 13 132.543 . . . . . . . A 10 PHE CD2 . 30561 1 109 . 1 1 10 10 PHE N N 15 125.755 . . . . . . . A 10 PHE N . 30561 1 110 . 1 1 11 11 LYS H H 1 7.753 0.02 . . . . . . A 11 LYS H . 30561 1 111 . 1 1 11 11 LYS HA H 1 4.406 0.02 . . . . . . A 11 LYS HA . 30561 1 112 . 1 1 11 11 LYS HB2 H 1 1.592 0.02 . . . . . . A 11 LYS HB2 . 30561 1 113 . 1 1 11 11 LYS HB3 H 1 1.492 0.02 . . . . . . A 11 LYS HB3 . 30561 1 114 . 1 1 11 11 LYS HG2 H 1 1.241 0.02 . . . . . . A 11 LYS HG2 . 30561 1 115 . 1 1 11 11 LYS HG3 H 1 1.331 0.02 . . . . . . A 11 LYS HG3 . 30561 1 116 . 1 1 11 11 LYS HD2 H 1 1.558 0.02 . . . . . . A 11 LYS HD2 . 30561 1 117 . 1 1 11 11 LYS HD3 H 1 2.189 0.02 . . . . . . A 11 LYS HD3 . 30561 1 118 . 1 1 11 11 LYS HE2 H 1 2.928 0.02 . . . . . . A 11 LYS HE2 . 30561 1 119 . 1 1 11 11 LYS C C 13 175.586 . . . . . . . A 11 LYS C . 30561 1 120 . 1 1 11 11 LYS CA C 13 55.244 . . . . . . . A 11 LYS CA . 30561 1 121 . 1 1 11 11 LYS CB C 13 34.009 . . . . . . . A 11 LYS CB . 30561 1 122 . 1 1 11 11 LYS CG C 13 24.351 . . . . . . . A 11 LYS CG . 30561 1 123 . 1 1 11 11 LYS CD C 13 28.785 . . . . . . . A 11 LYS CD . 30561 1 124 . 1 1 11 11 LYS CE C 13 42.000 . . . . . . . A 11 LYS CE . 30561 1 125 . 1 1 11 11 LYS N N 15 128.748 . . . . . . . A 11 LYS N . 30561 1 126 . 1 1 12 12 GLY H H 1 8.215 0.02 . . . . . . A 12 GLY H . 30561 1 127 . 1 1 12 12 GLY HA2 H 1 3.864 0.02 . . . . . . A 12 GLY HA2 . 30561 1 128 . 1 1 12 12 GLY HA3 H 1 4.104 0.02 . . . . . . A 12 GLY HA3 . 30561 1 129 . 1 1 12 12 GLY CA C 13 44.267 . . . . . . . A 12 GLY CA . 30561 1 130 . 1 1 12 12 GLY N N 15 110.353 . . . . . . . A 12 GLY N . 30561 1 131 . 1 1 13 13 PRO HA H 1 4.698 0.02 . . . . . . A 13 PRO HA . 30561 1 132 . 1 1 13 13 PRO HB2 H 1 2.312 0.02 . . . . . . A 13 PRO HB2 . 30561 1 133 . 1 1 13 13 PRO HB3 H 1 1.906 0.02 . . . . . . A 13 PRO HB3 . 30561 1 134 . 1 1 13 13 PRO HG2 H 1 2.076 0.02 . . . . . . A 13 PRO HG2 . 30561 1 135 . 1 1 13 13 PRO HG3 H 1 2.022 0.02 . . . . . . A 13 PRO HG3 . 30561 1 136 . 1 1 13 13 PRO HD2 H 1 3.618 0.02 . . . . . . A 13 PRO HD2 . 30561 1 137 . 1 1 13 13 PRO HD3 H 1 3.575 0.02 . . . . . . A 13 PRO HD3 . 30561 1 138 . 1 1 13 13 PRO CA C 13 62.805 . . . . . . . A 13 PRO CA . 30561 1 139 . 1 1 13 13 PRO CB C 13 32.230 . . . . . . . A 13 PRO CB . 30561 1 140 . 1 1 13 13 PRO CG C 13 27.245 . . . . . . . A 13 PRO CG . 30561 1 141 . 1 1 13 13 PRO CD C 13 49.276 . . . . . . . A 13 PRO CD . 30561 1 142 . 1 1 14 14 CYS HA H 1 4.737 0.02 . . . . . . A 14 CYS HA . 30561 1 143 . 1 1 14 14 CYS HB2 H 1 3.356 0.02 . . . . . . A 14 CYS HB2 . 30561 1 144 . 1 1 14 14 CYS HB3 H 1 2.989 0.02 . . . . . . A 14 CYS HB3 . 30561 1 145 . 1 1 14 14 CYS CA C 13 56.743 . . . . . . . A 14 CYS CA . 30561 1 146 . 1 1 14 14 CYS CB C 13 38.327 . . . . . . . A 14 CYS CB . 30561 1 147 . 1 1 15 15 ILE HA H 1 4.827 0.02 . . . . . . A 15 ILE HA . 30561 1 148 . 1 1 15 15 ILE HB H 1 2.082 0.02 . . . . . . A 15 ILE HB . 30561 1 149 . 1 1 15 15 ILE HG12 H 1 1.199 0.02 . . . . . . A 15 ILE HG12 . 30561 1 150 . 1 1 15 15 ILE HG13 H 1 1.288 0.02 . . . . . . A 15 ILE HG13 . 30561 1 151 . 1 1 15 15 ILE HG21 H 1 0.978 0.02 . . . . . . A 15 ILE HG21 . 30561 1 152 . 1 1 15 15 ILE HG22 H 1 0.978 0.02 . . . . . . A 15 ILE HG22 . 30561 1 153 . 1 1 15 15 ILE HG23 H 1 0.978 0.02 . . . . . . A 15 ILE HG23 . 30561 1 154 . 1 1 15 15 ILE HD11 H 1 0.894 0.02 . . . . . . A 15 ILE HD11 . 30561 1 155 . 1 1 15 15 ILE HD12 H 1 0.894 0.02 . . . . . . A 15 ILE HD12 . 30561 1 156 . 1 1 15 15 ILE HD13 H 1 0.894 0.02 . . . . . . A 15 ILE HD13 . 30561 1 157 . 1 1 15 15 ILE CA C 13 63.269 . . . . . . . A 15 ILE CA . 30561 1 158 . 1 1 15 15 ILE CB C 13 39.473 . . . . . . . A 15 ILE CB . 30561 1 159 . 1 1 15 15 ILE CG1 C 13 26.414 . . . . . . . A 15 ILE CG1 . 30561 1 160 . 1 1 15 15 ILE CG2 C 13 17.973 . . . . . . . A 15 ILE CG2 . 30561 1 161 . 1 1 15 15 ILE CD1 C 13 13.613 . . . . . . . A 15 ILE CD1 . 30561 1 162 . 1 1 16 16 PRO HA H 1 4.938 0.02 . . . . . . A 16 PRO HA . 30561 1 163 . 1 1 16 16 PRO HB2 H 1 2.373 0.02 . . . . . . A 16 PRO HB2 . 30561 1 164 . 1 1 16 16 PRO HB3 H 1 2.035 0.02 . . . . . . A 16 PRO HB3 . 30561 1 165 . 1 1 16 16 PRO HG2 H 1 2.016 0.02 . . . . . . A 16 PRO HG2 . 30561 1 166 . 1 1 16 16 PRO HG3 H 1 1.964 0.02 . . . . . . A 16 PRO HG3 . 30561 1 167 . 1 1 16 16 PRO HD2 H 1 3.687 0.02 . . . . . . A 16 PRO HD2 . 30561 1 168 . 1 1 16 16 PRO HD3 H 1 3.742 0.02 . . . . . . A 16 PRO HD3 . 30561 1 169 . 1 1 16 16 PRO CA C 13 63.250 . . . . . . . A 16 PRO CA . 30561 1 170 . 1 1 16 16 PRO CB C 13 28.258 . . . . . . . A 16 PRO CB . 30561 1 171 . 1 1 16 16 PRO CG C 13 27.753 . . . . . . . A 16 PRO CG . 30561 1 172 . 1 1 16 16 PRO CD C 13 50.989 . . . . . . . A 16 PRO CD . 30561 1 173 . 1 1 17 17 ASP HA H 1 4.730 0.02 . . . . . . A 17 ASP HA . 30561 1 174 . 1 1 17 17 ASP HB2 H 1 3.106 0.02 . . . . . . A 17 ASP HB2 . 30561 1 175 . 1 1 17 17 ASP HB3 H 1 2.533 0.02 . . . . . . A 17 ASP HB3 . 30561 1 176 . 1 1 17 17 ASP C C 13 178.007 . . . . . . . A 17 ASP C . 30561 1 177 . 1 1 17 17 ASP CA C 13 52.755 . . . . . . . A 17 ASP CA . 30561 1 178 . 1 1 17 17 ASP CB C 13 41.511 . . . . . . . A 17 ASP CB . 30561 1 179 . 1 1 18 18 GLY H H 1 8.492 0.02 . . . . . . A 18 GLY H . 30561 1 180 . 1 1 18 18 GLY HA2 H 1 4.317 0.02 . . . . . . A 18 GLY HA2 . 30561 1 181 . 1 1 18 18 GLY HA3 H 1 4.094 0.02 . . . . . . A 18 GLY HA3 . 30561 1 182 . 1 1 18 18 GLY CA C 13 45.815 . . . . . . . A 18 GLY CA . 30561 1 183 . 1 1 18 18 GLY N N 15 107.969 . . . . . . . A 18 GLY N . 30561 1 184 . 1 1 19 19 ASN H H 1 6.834 0.02 . . . . . . A 19 ASN H . 30561 1 185 . 1 1 19 19 ASN HA H 1 4.316 0.02 . . . . . . A 19 ASN HA . 30561 1 186 . 1 1 19 19 ASN HB2 H 1 3.036 0.02 . . . . . . A 19 ASN HB2 . 30561 1 187 . 1 1 19 19 ASN HB3 H 1 2.654 0.02 . . . . . . A 19 ASN HB3 . 30561 1 188 . 1 1 19 19 ASN HD21 H 1 7.704 0.02 . . . . . . A 19 ASN HD21 . 30561 1 189 . 1 1 19 19 ASN HD22 H 1 7.134 0.02 . . . . . . A 19 ASN HD22 . 30561 1 190 . 1 1 19 19 ASN C C 13 176.094 . . . . . . . A 19 ASN C . 30561 1 191 . 1 1 19 19 ASN CA C 13 52.984 . . . . . . . A 19 ASN CA . 30561 1 192 . 1 1 19 19 ASN CB C 13 39.806 . . . . . . . A 19 ASN CB . 30561 1 193 . 1 1 19 19 ASN ND2 N 15 114.303 . . . . . . . A 19 ASN ND2 . 30561 1 194 . 1 1 20 20 CYS H H 1 8.379 0.02 . . . . . . A 20 CYS H . 30561 1 195 . 1 1 20 20 CYS HA H 1 4.309 0.02 . . . . . . A 20 CYS HA . 30561 1 196 . 1 1 20 20 CYS HB2 H 1 2.762 0.02 . . . . . . A 20 CYS HB2 . 30561 1 197 . 1 1 20 20 CYS HB3 H 1 2.630 0.02 . . . . . . A 20 CYS HB3 . 30561 1 198 . 1 1 20 20 CYS C C 13 175.514 . . . . . . . A 20 CYS C . 30561 1 199 . 1 1 20 20 CYS CA C 13 58.597 . . . . . . . A 20 CYS CA . 30561 1 200 . 1 1 20 20 CYS CB C 13 34.997 . . . . . . . A 20 CYS CB . 30561 1 201 . 1 1 20 20 CYS N N 15 113.062 . . . . . . . A 20 CYS N . 30561 1 202 . 1 1 21 21 ASN H H 1 8.508 0.02 . . . . . . A 21 ASN H . 30561 1 203 . 1 1 21 21 ASN HA H 1 3.994 0.02 . . . . . . A 21 ASN HA . 30561 1 204 . 1 1 21 21 ASN HB2 H 1 3.129 0.02 . . . . . . A 21 ASN HB2 . 30561 1 205 . 1 1 21 21 ASN HB3 H 1 2.797 0.02 . . . . . . A 21 ASN HB3 . 30561 1 206 . 1 1 21 21 ASN HD21 H 1 6.791 0.02 . . . . . . A 21 ASN HD21 . 30561 1 207 . 1 1 21 21 ASN HD22 H 1 7.778 0.02 . . . . . . A 21 ASN HD22 . 30561 1 208 . 1 1 21 21 ASN C C 13 176.487 . . . . . . . A 21 ASN C . 30561 1 209 . 1 1 21 21 ASN CA C 13 57.848 . . . . . . . A 21 ASN CA . 30561 1 210 . 1 1 21 21 ASN CB C 13 39.007 . . . . . . . A 21 ASN CB . 30561 1 211 . 1 1 21 21 ASN N N 15 119.227 . . . . . . . A 21 ASN N . 30561 1 212 . 1 1 21 21 ASN ND2 N 15 113.653 . . . . . . . A 21 ASN ND2 . 30561 1 213 . 1 1 22 22 LYS H H 1 7.705 0.02 . . . . . . A 22 LYS H . 30561 1 214 . 1 1 22 22 LYS HA H 1 3.921 0.02 . . . . . . A 22 LYS HA . 30561 1 215 . 1 1 22 22 LYS HB2 H 1 1.990 0.02 . . . . . . A 22 LYS HB2 . 30561 1 216 . 1 1 22 22 LYS HB3 H 1 1.988 0.02 . . . . . . A 22 LYS HB3 . 30561 1 217 . 1 1 22 22 LYS HG2 H 1 1.626 0.02 . . . . . . A 22 LYS HG2 . 30561 1 218 . 1 1 22 22 LYS HG3 H 1 1.487 0.02 . . . . . . A 22 LYS HG3 . 30561 1 219 . 1 1 22 22 LYS HD2 H 1 1.731 0.02 . . . . . . A 22 LYS HD2 . 30561 1 220 . 1 1 22 22 LYS HD3 H 1 1.731 0.02 . . . . . . A 22 LYS HD3 . 30561 1 221 . 1 1 22 22 LYS HE2 H 1 3.002 0.02 . . . . . . A 22 LYS HE2 . 30561 1 222 . 1 1 22 22 LYS HE3 H 1 3.000 0.02 . . . . . . A 22 LYS HE3 . 30561 1 223 . 1 1 22 22 LYS C C 13 177.983 . . . . . . . A 22 LYS C . 30561 1 224 . 1 1 22 22 LYS CA C 13 60.092 . . . . . . . A 22 LYS CA . 30561 1 225 . 1 1 22 22 LYS CB C 13 32.632 . . . . . . . A 22 LYS CB . 30561 1 226 . 1 1 22 22 LYS CG C 13 25.438 . . . . . . . A 22 LYS CG . 30561 1 227 . 1 1 22 22 LYS CD C 13 29.417 . . . . . . . A 22 LYS CD . 30561 1 228 . 1 1 22 22 LYS CE C 13 42.019 . . . . . . . A 22 LYS CE . 30561 1 229 . 1 1 22 22 LYS N N 15 116.499 . . . . . . . A 22 LYS N . 30561 1 230 . 1 1 23 23 HIS H H 1 8.718 0.02 . . . . . . A 23 HIS H . 30561 1 231 . 1 1 23 23 HIS HA H 1 4.385 0.02 . . . . . . A 23 HIS HA . 30561 1 232 . 1 1 23 23 HIS HB2 H 1 3.564 0.02 . . . . . . A 23 HIS HB2 . 30561 1 233 . 1 1 23 23 HIS HB3 H 1 3.508 0.02 . . . . . . A 23 HIS HB3 . 30561 1 234 . 1 1 23 23 HIS C C 13 178.728 . . . . . . . A 23 HIS C . 30561 1 235 . 1 1 23 23 HIS CA C 13 60.191 . . . . . . . A 23 HIS CA . 30561 1 236 . 1 1 23 23 HIS CB C 13 30.808 . . . . . . . A 23 HIS CB . 30561 1 237 . 1 1 23 23 HIS N N 15 119.694 . . . . . . . A 23 HIS N . 30561 1 238 . 1 1 24 24 CYS H H 1 9.143 0.02 . . . . . . A 24 CYS H . 30561 1 239 . 1 1 24 24 CYS HA H 1 4.104 0.02 . . . . . . A 24 CYS HA . 30561 1 240 . 1 1 24 24 CYS HB2 H 1 2.600 0.02 . . . . . . A 24 CYS HB2 . 30561 1 241 . 1 1 24 24 CYS HB3 H 1 2.544 0.02 . . . . . . A 24 CYS HB3 . 30561 1 242 . 1 1 24 24 CYS C C 13 175.747 . . . . . . . A 24 CYS C . 30561 1 243 . 1 1 24 24 CYS CA C 13 59.084 . . . . . . . A 24 CYS CA . 30561 1 244 . 1 1 24 24 CYS CB C 13 37.749 . . . . . . . A 24 CYS CB . 30561 1 245 . 1 1 24 24 CYS N N 15 118.475 . . . . . . . A 24 CYS N . 30561 1 246 . 1 1 25 25 ARG H H 1 7.868 0.02 . . . . . . A 25 ARG H . 30561 1 247 . 1 1 25 25 ARG HA H 1 4.276 0.02 . . . . . . A 25 ARG HA . 30561 1 248 . 1 1 25 25 ARG HB2 H 1 1.534 0.02 . . . . . . A 25 ARG HB2 . 30561 1 249 . 1 1 25 25 ARG HB3 H 1 1.800 0.02 . . . . . . A 25 ARG HB3 . 30561 1 250 . 1 1 25 25 ARG HG2 H 1 1.494 0.02 . . . . . . A 25 ARG HG2 . 30561 1 251 . 1 1 25 25 ARG HG3 H 1 1.492 0.02 . . . . . . A 25 ARG HG3 . 30561 1 252 . 1 1 25 25 ARG HD2 H 1 3.259 0.02 . . . . . . A 25 ARG HD2 . 30561 1 253 . 1 1 25 25 ARG HD3 H 1 3.027 0.02 . . . . . . A 25 ARG HD3 . 30561 1 254 . 1 1 25 25 ARG C C 13 171.035 . . . . . . . A 25 ARG C . 30561 1 255 . 1 1 25 25 ARG CA C 13 58.766 . . . . . . . A 25 ARG CA . 30561 1 256 . 1 1 25 25 ARG CB C 13 31.294 . . . . . . . A 25 ARG CB . 30561 1 257 . 1 1 25 25 ARG CG C 13 31.313 . . . . . . . A 25 ARG CG . 30561 1 258 . 1 1 25 25 ARG CD C 13 43.530 . . . . . . . A 25 ARG CD . 30561 1 259 . 1 1 25 25 ARG N N 15 116.157 . . . . . . . A 25 ARG N . 30561 1 260 . 1 1 26 26 ASN H H 1 8.882 0.02 . . . . . . A 26 ASN H . 30561 1 261 . 1 1 26 26 ASN HA H 1 4.466 0.02 . . . . . . A 26 ASN HA . 30561 1 262 . 1 1 26 26 ASN HB2 H 1 2.861 0.02 . . . . . . A 26 ASN HB2 . 30561 1 263 . 1 1 26 26 ASN HB3 H 1 2.719 0.02 . . . . . . A 26 ASN HB3 . 30561 1 264 . 1 1 26 26 ASN HD21 H 1 7.621 0.02 . . . . . . A 26 ASN HD21 . 30561 1 265 . 1 1 26 26 ASN HD22 H 1 7.014 0.02 . . . . . . A 26 ASN HD22 . 30561 1 266 . 1 1 26 26 ASN C C 13 175.569 . . . . . . . A 26 ASN C . 30561 1 267 . 1 1 26 26 ASN CA C 13 55.247 . . . . . . . A 26 ASN CA . 30561 1 268 . 1 1 26 26 ASN CB C 13 38.082 . . . . . . . A 26 ASN CB . 30561 1 269 . 1 1 26 26 ASN N N 15 116.522 . . . . . . . A 26 ASN N . 30561 1 270 . 1 1 26 26 ASN ND2 N 15 113.282 . . . . . . . A 26 ASN ND2 . 30561 1 271 . 1 1 27 27 ASN H H 1 7.954 0.02 . . . . . . A 27 ASN H . 30561 1 272 . 1 1 27 27 ASN HA H 1 4.658 0.02 . . . . . . A 27 ASN HA . 30561 1 273 . 1 1 27 27 ASN HB2 H 1 2.481 0.02 . . . . . . A 27 ASN HB2 . 30561 1 274 . 1 1 27 27 ASN HB3 H 1 2.289 0.02 . . . . . . A 27 ASN HB3 . 30561 1 275 . 1 1 27 27 ASN HD21 H 1 6.992 0.02 . . . . . . A 27 ASN HD21 . 30561 1 276 . 1 1 27 27 ASN HD22 H 1 7.837 0.02 . . . . . . A 27 ASN HD22 . 30561 1 277 . 1 1 27 27 ASN C C 13 176.209 . . . . . . . A 27 ASN C . 30561 1 278 . 1 1 27 27 ASN CA C 13 54.520 . . . . . . . A 27 ASN CA . 30561 1 279 . 1 1 27 27 ASN CB C 13 37.731 . . . . . . . A 27 ASN CB . 30561 1 280 . 1 1 27 27 ASN N N 15 115.147 . . . . . . . A 27 ASN N . 30561 1 281 . 1 1 27 27 ASN ND2 N 15 112.809 . . . . . . . A 27 ASN ND2 . 30561 1 282 . 1 1 28 28 GLU H H 1 7.024 0.02 . . . . . . A 28 GLU H . 30561 1 283 . 1 1 28 28 GLU HA H 1 4.275 0.02 . . . . . . A 28 GLU HA . 30561 1 284 . 1 1 28 28 GLU HB2 H 1 2.296 0.02 . . . . . . A 28 GLU HB2 . 30561 1 285 . 1 1 28 28 GLU HB3 H 1 2.239 0.02 . . . . . . A 28 GLU HB3 . 30561 1 286 . 1 1 28 28 GLU HG2 H 1 2.018 0.02 . . . . . . A 28 GLU HG2 . 30561 1 287 . 1 1 28 28 GLU HG3 H 1 2.019 0.02 . . . . . . A 28 GLU HG3 . 30561 1 288 . 1 1 28 28 GLU C C 13 175.486 . . . . . . . A 28 GLU C . 30561 1 289 . 1 1 28 28 GLU CA C 13 56.521 . . . . . . . A 28 GLU CA . 30561 1 290 . 1 1 28 28 GLU CB C 13 30.069 . . . . . . . A 28 GLU CB . 30561 1 291 . 1 1 28 28 GLU CG C 13 37.926 . . . . . . . A 28 GLU CG . 30561 1 292 . 1 1 28 28 GLU N N 15 114.454 . . . . . . . A 28 GLU N . 30561 1 293 . 1 1 29 29 HIS H H 1 6.513 0.02 . . . . . . A 29 HIS H . 30561 1 294 . 1 1 29 29 HIS HA H 1 4.660 0.02 . . . . . . A 29 HIS HA . 30561 1 295 . 1 1 29 29 HIS HB2 H 1 3.548 0.02 . . . . . . A 29 HIS HB2 . 30561 1 296 . 1 1 29 29 HIS HB3 H 1 3.432 0.02 . . . . . . A 29 HIS HB3 . 30561 1 297 . 1 1 29 29 HIS C C 13 174.232 . . . . . . . A 29 HIS C . 30561 1 298 . 1 1 29 29 HIS CA C 13 56.287 . . . . . . . A 29 HIS CA . 30561 1 299 . 1 1 29 29 HIS CB C 13 25.174 . . . . . . . A 29 HIS CB . 30561 1 300 . 1 1 29 29 HIS N N 15 111.335 . . . . . . . A 29 HIS N . 30561 1 301 . 1 1 30 30 LEU H H 1 8.653 0.02 . . . . . . A 30 LEU H . 30561 1 302 . 1 1 30 30 LEU HA H 1 4.942 0.02 . . . . . . A 30 LEU HA . 30561 1 303 . 1 1 30 30 LEU HB2 H 1 1.915 0.02 . . . . . . A 30 LEU HB2 . 30561 1 304 . 1 1 30 30 LEU HB3 H 1 1.438 0.02 . . . . . . A 30 LEU HB3 . 30561 1 305 . 1 1 30 30 LEU HG H 1 1.753 0.02 . . . . . . A 30 LEU HG . 30561 1 306 . 1 1 30 30 LEU HD11 H 1 0.955 0.02 . . . . . . A 30 LEU HD11 . 30561 1 307 . 1 1 30 30 LEU HD12 H 1 0.955 0.02 . . . . . . A 30 LEU HD12 . 30561 1 308 . 1 1 30 30 LEU HD13 H 1 0.955 0.02 . . . . . . A 30 LEU HD13 . 30561 1 309 . 1 1 30 30 LEU HD21 H 1 0.939 0.02 . . . . . . A 30 LEU HD21 . 30561 1 310 . 1 1 30 30 LEU HD22 H 1 0.939 0.02 . . . . . . A 30 LEU HD22 . 30561 1 311 . 1 1 30 30 LEU HD23 H 1 0.939 0.02 . . . . . . A 30 LEU HD23 . 30561 1 312 . 1 1 30 30 LEU C C 13 176.206 . . . . . . . A 30 LEU C . 30561 1 313 . 1 1 30 30 LEU CA C 13 53.217 . . . . . . . A 30 LEU CA . 30561 1 314 . 1 1 30 30 LEU CB C 13 40.222 . . . . . . . A 30 LEU CB . 30561 1 315 . 1 1 30 30 LEU CG C 13 26.336 . . . . . . . A 30 LEU CG . 30561 1 316 . 1 1 30 30 LEU CD1 C 13 26.268 . . . . . . . A 30 LEU CD1 . 30561 1 317 . 1 1 30 30 LEU CD2 C 13 21.993 . . . . . . . A 30 LEU CD2 . 30561 1 318 . 1 1 30 30 LEU N N 15 119.961 . . . . . . . A 30 LEU N . 30561 1 319 . 1 1 31 31 LEU H H 1 8.196 0.02 . . . . . . A 31 LEU H . 30561 1 320 . 1 1 31 31 LEU HA H 1 4.180 0.02 . . . . . . A 31 LEU HA . 30561 1 321 . 1 1 31 31 LEU HB2 H 1 1.617 0.02 . . . . . . A 31 LEU HB2 . 30561 1 322 . 1 1 31 31 LEU HB3 H 1 1.427 0.02 . . . . . . A 31 LEU HB3 . 30561 1 323 . 1 1 31 31 LEU HG H 1 1.706 0.02 . . . . . . A 31 LEU HG . 30561 1 324 . 1 1 31 31 LEU HD11 H 1 0.785 0.02 . . . . . . A 31 LEU HD11 . 30561 1 325 . 1 1 31 31 LEU HD12 H 1 0.785 0.02 . . . . . . A 31 LEU HD12 . 30561 1 326 . 1 1 31 31 LEU HD13 H 1 0.785 0.02 . . . . . . A 31 LEU HD13 . 30561 1 327 . 1 1 31 31 LEU HD21 H 1 0.867 0.02 . . . . . . A 31 LEU HD21 . 30561 1 328 . 1 1 31 31 LEU HD22 H 1 0.867 0.02 . . . . . . A 31 LEU HD22 . 30561 1 329 . 1 1 31 31 LEU HD23 H 1 0.867 0.02 . . . . . . A 31 LEU HD23 . 30561 1 330 . 1 1 31 31 LEU C C 13 178.436 . . . . . . . A 31 LEU C . 30561 1 331 . 1 1 31 31 LEU CA C 13 58.228 . . . . . . . A 31 LEU CA . 30561 1 332 . 1 1 31 31 LEU CB C 13 42.935 . . . . . . . A 31 LEU CB . 30561 1 333 . 1 1 31 31 LEU CG C 13 26.988 . . . . . . . A 31 LEU CG . 30561 1 334 . 1 1 31 31 LEU CD1 C 13 25.549 . . . . . . . A 31 LEU CD1 . 30561 1 335 . 1 1 31 31 LEU CD2 C 13 22.544 . . . . . . . A 31 LEU CD2 . 30561 1 336 . 1 1 31 31 LEU N N 15 116.238 . . . . . . . A 31 LEU N . 30561 1 337 . 1 1 32 32 SER H H 1 7.558 0.02 . . . . . . A 32 SER H . 30561 1 338 . 1 1 32 32 SER HA H 1 4.562 0.02 . . . . . . A 32 SER HA . 30561 1 339 . 1 1 32 32 SER HB2 H 1 4.109 0.02 . . . . . . A 32 SER HB2 . 30561 1 340 . 1 1 32 32 SER HB3 H 1 3.983 0.02 . . . . . . A 32 SER HB3 . 30561 1 341 . 1 1 32 32 SER C C 13 172.898 . . . . . . . A 32 SER C . 30561 1 342 . 1 1 32 32 SER CA C 13 57.770 . . . . . . . A 32 SER CA . 30561 1 343 . 1 1 32 32 SER CB C 13 63.751 . . . . . . . A 32 SER CB . 30561 1 344 . 1 1 32 32 SER N N 15 106.131 . . . . . . . A 32 SER N . 30561 1 345 . 1 1 33 33 GLY H H 1 9.052 0.02 . . . . . . A 33 GLY H . 30561 1 346 . 1 1 33 33 GLY HA2 H 1 5.332 0.02 . . . . . . A 33 GLY HA2 . 30561 1 347 . 1 1 33 33 GLY HA3 H 1 4.063 0.02 . . . . . . A 33 GLY HA3 . 30561 1 348 . 1 1 33 33 GLY C C 13 177.998 . . . . . . . A 33 GLY C . 30561 1 349 . 1 1 33 33 GLY CA C 13 46.923 . . . . . . . A 33 GLY CA . 30561 1 350 . 1 1 33 33 GLY N N 15 108.318 . . . . . . . A 33 GLY N . 30561 1 351 . 1 1 34 34 ARG H H 1 8.882 0.02 . . . . . . A 34 ARG H . 30561 1 352 . 1 1 34 34 ARG HA H 1 4.846 0.02 . . . . . . A 34 ARG HA . 30561 1 353 . 1 1 34 34 ARG HB2 H 1 2.018 0.02 . . . . . . A 34 ARG HB2 . 30561 1 354 . 1 1 34 34 ARG HB3 H 1 1.641 0.02 . . . . . . A 34 ARG HB3 . 30561 1 355 . 1 1 34 34 ARG HG2 H 1 1.549 0.02 . . . . . . A 34 ARG HG2 . 30561 1 356 . 1 1 34 34 ARG HG3 H 1 1.651 0.02 . . . . . . A 34 ARG HG3 . 30561 1 357 . 1 1 34 34 ARG HD2 H 1 3.266 0.02 . . . . . . A 34 ARG HD2 . 30561 1 358 . 1 1 34 34 ARG HD3 H 1 3.132 0.02 . . . . . . A 34 ARG HD3 . 30561 1 359 . 1 1 34 34 ARG C C 13 174.960 . . . . . . . A 34 ARG C . 30561 1 360 . 1 1 34 34 ARG CA C 13 53.737 . . . . . . . A 34 ARG CA . 30561 1 361 . 1 1 34 34 ARG CB C 13 31.701 . . . . . . . A 34 ARG CB . 30561 1 362 . 1 1 34 34 ARG CG C 13 26.310 . . . . . . . A 34 ARG CG . 30561 1 363 . 1 1 34 34 ARG CD C 13 42.463 . . . . . . . A 34 ARG CD . 30561 1 364 . 1 1 34 34 ARG N N 15 116.549 . . . . . . . A 34 ARG N . 30561 1 365 . 1 1 35 35 CYS H H 1 8.924 0.02 . . . . . . A 35 CYS H . 30561 1 366 . 1 1 35 35 CYS HA H 1 4.173 0.02 . . . . . . A 35 CYS HA . 30561 1 367 . 1 1 35 35 CYS HB2 H 1 3.540 0.02 . . . . . . A 35 CYS HB2 . 30561 1 368 . 1 1 35 35 CYS HB3 H 1 3.397 0.02 . . . . . . A 35 CYS HB3 . 30561 1 369 . 1 1 35 35 CYS C C 13 172.992 . . . . . . . A 35 CYS C . 30561 1 370 . 1 1 35 35 CYS CA C 13 59.825 . . . . . . . A 35 CYS CA . 30561 1 371 . 1 1 35 35 CYS CB C 13 35.803 . . . . . . . A 35 CYS CB . 30561 1 372 . 1 1 35 35 CYS N N 15 119.501 . . . . . . . A 35 CYS N . 30561 1 373 . 1 1 36 36 ARG H H 1 8.805 0.02 . . . . . . A 36 ARG H . 30561 1 374 . 1 1 36 36 ARG HA H 1 5.100 0.02 . . . . . . A 36 ARG HA . 30561 1 375 . 1 1 36 36 ARG HB2 H 1 1.792 0.02 . . . . . . A 36 ARG HB2 . 30561 1 376 . 1 1 36 36 ARG HB3 H 1 2.185 0.02 . . . . . . A 36 ARG HB3 . 30561 1 377 . 1 1 36 36 ARG HG2 H 1 1.839 0.02 . . . . . . A 36 ARG HG2 . 30561 1 378 . 1 1 36 36 ARG HG3 H 1 1.364 0.02 . . . . . . A 36 ARG HG3 . 30561 1 379 . 1 1 36 36 ARG HD2 H 1 3.216 0.02 . . . . . . A 36 ARG HD2 . 30561 1 380 . 1 1 36 36 ARG HD3 H 1 3.330 0.02 . . . . . . A 36 ARG HD3 . 30561 1 381 . 1 1 36 36 ARG C C 13 174.633 . . . . . . . A 36 ARG C . 30561 1 382 . 1 1 36 36 ARG CA C 13 52.851 . . . . . . . A 36 ARG CA . 30561 1 383 . 1 1 36 36 ARG CB C 13 35.974 . . . . . . . A 36 ARG CB . 30561 1 384 . 1 1 36 36 ARG CG C 13 25.840 . . . . . . . A 36 ARG CG . 30561 1 385 . 1 1 36 36 ARG CD C 13 43.451 . . . . . . . A 36 ARG CD . 30561 1 386 . 1 1 36 36 ARG N N 15 121.357 . . . . . . . A 36 ARG N . 30561 1 387 . 1 1 37 37 ASP H H 1 9.015 0.02 . . . . . . A 37 ASP H . 30561 1 388 . 1 1 37 37 ASP HA H 1 4.640 0.02 . . . . . . A 37 ASP HA . 30561 1 389 . 1 1 37 37 ASP HB2 H 1 1.833 0.02 . . . . . . A 37 ASP HB2 . 30561 1 390 . 1 1 37 37 ASP HB3 H 1 1.833 0.02 . . . . . . A 37 ASP HB3 . 30561 1 391 . 1 1 37 37 ASP C C 13 176.836 . . . . . . . A 37 ASP C . 30561 1 392 . 1 1 37 37 ASP CA C 13 55.359 . . . . . . . A 37 ASP CA . 30561 1 393 . 1 1 37 37 ASP CB C 13 38.761 . . . . . . . A 37 ASP CB . 30561 1 394 . 1 1 37 37 ASP N N 15 120.434 . . . . . . . A 37 ASP N . 30561 1 395 . 1 1 38 38 ASP H H 1 8.295 0.02 . . . . . . A 38 ASP H . 30561 1 396 . 1 1 38 38 ASP HA H 1 4.067 0.02 . . . . . . A 38 ASP HA . 30561 1 397 . 1 1 38 38 ASP HB2 H 1 2.635 0.02 . . . . . . A 38 ASP HB2 . 30561 1 398 . 1 1 38 38 ASP HB3 H 1 2.634 0.02 . . . . . . A 38 ASP HB3 . 30561 1 399 . 1 1 38 38 ASP C C 13 174.271 . . . . . . . A 38 ASP C . 30561 1 400 . 1 1 38 38 ASP CA C 13 55.725 . . . . . . . A 38 ASP CA . 30561 1 401 . 1 1 38 38 ASP CB C 13 39.495 . . . . . . . A 38 ASP CB . 30561 1 402 . 1 1 38 38 ASP N N 15 120.333 . . . . . . . A 38 ASP N . 30561 1 403 . 1 1 39 39 PHE H H 1 7.959 0.02 . . . . . . A 39 PHE H . 30561 1 404 . 1 1 39 39 PHE HA H 1 5.083 0.02 . . . . . . A 39 PHE HA . 30561 1 405 . 1 1 39 39 PHE HB2 H 1 2.896 0.02 . . . . . . A 39 PHE HB2 . 30561 1 406 . 1 1 39 39 PHE HB3 H 1 2.693 0.02 . . . . . . A 39 PHE HB3 . 30561 1 407 . 1 1 39 39 PHE HD1 H 1 6.940 0.02 . . . . . . A 39 PHE HD1 . 30561 1 408 . 1 1 39 39 PHE HD2 H 1 6.940 0.02 . . . . . . A 39 PHE HD2 . 30561 1 409 . 1 1 39 39 PHE C C 13 175.089 . . . . . . . A 39 PHE C . 30561 1 410 . 1 1 39 39 PHE CA C 13 54.080 . . . . . . . A 39 PHE CA . 30561 1 411 . 1 1 39 39 PHE CB C 13 39.109 . . . . . . . A 39 PHE CB . 30561 1 412 . 1 1 39 39 PHE CD1 C 13 130.456 . . . . . . . A 39 PHE CD1 . 30561 1 413 . 1 1 39 39 PHE CD2 C 13 130.456 . . . . . . . A 39 PHE CD2 . 30561 1 414 . 1 1 39 39 PHE N N 15 116.604 . . . . . . . A 39 PHE N . 30561 1 415 . 1 1 40 40 ARG H H 1 8.432 0.02 . . . . . . A 40 ARG H . 30561 1 416 . 1 1 40 40 ARG HA H 1 4.663 0.02 . . . . . . A 40 ARG HA . 30561 1 417 . 1 1 40 40 ARG CA C 13 56.079 . . . . . . . A 40 ARG CA . 30561 1 418 . 1 1 40 40 ARG CB C 13 43.392 . . . . . . . A 40 ARG CB . 30561 1 419 . 1 1 40 40 ARG N N 15 125.159 . . . . . . . A 40 ARG N . 30561 1 420 . 1 1 41 41 CYS HA H 1 4.910 0.02 . . . . . . A 41 CYS HA . 30561 1 421 . 1 1 41 41 CYS HB2 H 1 2.085 0.02 . . . . . . A 41 CYS HB2 . 30561 1 422 . 1 1 41 41 CYS HB3 H 1 1.658 0.02 . . . . . . A 41 CYS HB3 . 30561 1 423 . 1 1 41 41 CYS CA C 13 54.185 . . . . . . . A 41 CYS CA . 30561 1 424 . 1 1 41 41 CYS CB C 13 36.000 . . . . . . . A 41 CYS CB . 30561 1 425 . 1 1 42 42 TRP H H 1 9.053 0.02 . . . . . . A 42 TRP H . 30561 1 426 . 1 1 42 42 TRP HA H 1 4.778 0.02 . . . . . . A 42 TRP HA . 30561 1 427 . 1 1 42 42 TRP HB2 H 1 2.924 0.02 . . . . . . A 42 TRP HB2 . 30561 1 428 . 1 1 42 42 TRP HB3 H 1 2.874 0.02 . . . . . . A 42 TRP HB3 . 30561 1 429 . 1 1 42 42 TRP HD1 H 1 7.410 0.02 . . . . . . A 42 TRP HD1 . 30561 1 430 . 1 1 42 42 TRP HE1 H 1 9.393 0.02 . . . . . . A 42 TRP HE1 . 30561 1 431 . 1 1 42 42 TRP HE3 H 1 6.954 0.02 . . . . . . A 42 TRP HE3 . 30561 1 432 . 1 1 42 42 TRP HZ2 H 1 7.489 0.02 . . . . . . A 42 TRP HZ2 . 30561 1 433 . 1 1 42 42 TRP HZ3 H 1 7.109 0.02 . . . . . . A 42 TRP HZ3 . 30561 1 434 . 1 1 42 42 TRP HH2 H 1 7.230 0.02 . . . . . . A 42 TRP HH2 . 30561 1 435 . 1 1 42 42 TRP C C 13 176.698 . . . . . . . A 42 TRP C . 30561 1 436 . 1 1 42 42 TRP CA C 13 56.281 . . . . . . . A 42 TRP CA . 30561 1 437 . 1 1 42 42 TRP CB C 13 29.870 . . . . . . . A 42 TRP CB . 30561 1 438 . 1 1 42 42 TRP CD1 C 13 126.820 . . . . . . . A 42 TRP CD1 . 30561 1 439 . 1 1 42 42 TRP CE3 C 13 118.883 . . . . . . . A 42 TRP CE3 . 30561 1 440 . 1 1 42 42 TRP CZ2 C 13 115.427 . . . . . . . A 42 TRP CZ2 . 30561 1 441 . 1 1 42 42 TRP CZ3 C 13 120.403 . . . . . . . A 42 TRP CZ3 . 30561 1 442 . 1 1 42 42 TRP CH2 C 13 124.345 . . . . . . . A 42 TRP CH2 . 30561 1 443 . 1 1 42 42 TRP N N 15 130.169 . . . . . . . A 42 TRP N . 30561 1 444 . 1 1 42 42 TRP NE1 N 15 124.939 . . . . . . . A 42 TRP NE1 . 30561 1 445 . 1 1 43 43 CYS H H 1 9.202 0.02 . . . . . . A 43 CYS H . 30561 1 446 . 1 1 43 43 CYS HA H 1 5.949 0.02 . . . . . . A 43 CYS HA . 30561 1 447 . 1 1 43 43 CYS HB2 H 1 3.237 0.02 . . . . . . A 43 CYS HB2 . 30561 1 448 . 1 1 43 43 CYS HB3 H 1 2.934 0.02 . . . . . . A 43 CYS HB3 . 30561 1 449 . 1 1 43 43 CYS C C 13 175.559 . . . . . . . A 43 CYS C . 30561 1 450 . 1 1 43 43 CYS CA C 13 51.690 . . . . . . . A 43 CYS CA . 30561 1 451 . 1 1 43 43 CYS CB C 13 39.246 . . . . . . . A 43 CYS CB . 30561 1 452 . 1 1 43 43 CYS N N 15 120.338 . . . . . . . A 43 CYS N . 30561 1 453 . 1 1 44 44 THR H H 1 9.027 0.02 . . . . . . A 44 THR H . 30561 1 454 . 1 1 44 44 THR HA H 1 5.260 0.02 . . . . . . A 44 THR HA . 30561 1 455 . 1 1 44 44 THR HB H 1 4.054 0.02 . . . . . . A 44 THR HB . 30561 1 456 . 1 1 44 44 THR HG21 H 1 1.121 0.02 . . . . . . A 44 THR HG21 . 30561 1 457 . 1 1 44 44 THR HG22 H 1 1.121 0.02 . . . . . . A 44 THR HG22 . 30561 1 458 . 1 1 44 44 THR HG23 H 1 1.121 0.02 . . . . . . A 44 THR HG23 . 30561 1 459 . 1 1 44 44 THR C C 13 171.943 . . . . . . . A 44 THR C . 30561 1 460 . 1 1 44 44 THR CA C 13 62.950 . . . . . . . A 44 THR CA . 30561 1 461 . 1 1 44 44 THR CB C 13 69.519 . . . . . . . A 44 THR CB . 30561 1 462 . 1 1 44 44 THR CG2 C 13 21.349 . . . . . . . A 44 THR CG2 . 30561 1 463 . 1 1 44 44 THR N N 15 121.141 . . . . . . . A 44 THR N . 30561 1 464 . 1 1 45 45 ASN H H 1 9.261 0.02 . . . . . . A 45 ASN H . 30561 1 465 . 1 1 45 45 ASN HA H 1 5.099 0.02 . . . . . . A 45 ASN HA . 30561 1 466 . 1 1 45 45 ASN HB2 H 1 2.933 0.02 . . . . . . A 45 ASN HB2 . 30561 1 467 . 1 1 45 45 ASN HB3 H 1 2.730 0.02 . . . . . . A 45 ASN HB3 . 30561 1 468 . 1 1 45 45 ASN HD21 H 1 7.582 0.02 . . . . . . A 45 ASN HD21 . 30561 1 469 . 1 1 45 45 ASN HD22 H 1 7.062 0.02 . . . . . . A 45 ASN HD22 . 30561 1 470 . 1 1 45 45 ASN CA C 13 54.108 . . . . . . . A 45 ASN CA . 30561 1 471 . 1 1 45 45 ASN CB C 13 38.207 . . . . . . . A 45 ASN CB . 30561 1 472 . 1 1 45 45 ASN N N 15 123.063 . . . . . . . A 45 ASN N . 30561 1 473 . 1 1 45 45 ASN ND2 N 15 110.816 . . . . . . . A 45 ASN ND2 . 30561 1 474 . 1 1 46 46 ARG HA H 1 4.668 0.02 . . . . . . A 46 ARG HA . 30561 1 475 . 1 1 46 46 ARG HB2 H 1 1.697 0.02 . . . . . . A 46 ARG HB2 . 30561 1 476 . 1 1 46 46 ARG HB3 H 1 1.904 0.02 . . . . . . A 46 ARG HB3 . 30561 1 477 . 1 1 46 46 ARG HG2 H 1 1.259 0.02 . . . . . . A 46 ARG HG2 . 30561 1 478 . 1 1 46 46 ARG HG3 H 1 1.620 0.02 . . . . . . A 46 ARG HG3 . 30561 1 479 . 1 1 46 46 ARG HD2 H 1 2.987 0.02 . . . . . . A 46 ARG HD2 . 30561 1 480 . 1 1 46 46 ARG HD3 H 1 2.851 0.02 . . . . . . A 46 ARG HD3 . 30561 1 481 . 1 1 46 46 ARG CA C 13 54.461 . . . . . . . A 46 ARG CA . 30561 1 482 . 1 1 46 46 ARG CB C 13 32.474 . . . . . . . A 46 ARG CB . 30561 1 483 . 1 1 46 46 ARG CG C 13 24.898 . . . . . . . A 46 ARG CG . 30561 1 484 . 1 1 46 46 ARG CD C 13 43.622 . . . . . . . A 46 ARG CD . 30561 1 485 . 1 1 47 47 CYS HA H 1 4.302 0.02 . . . . . . A 47 CYS HA . 30561 1 486 . 1 1 47 47 CYS HB2 H 1 1.365 0.02 . . . . . . A 47 CYS HB2 . 30561 1 487 . 1 1 47 47 CYS HB3 H 1 1.365 0.02 . . . . . . A 47 CYS HB3 . 30561 1 488 . 1 1 47 47 CYS CA C 13 52.379 . . . . . . . A 47 CYS CA . 30561 1 489 . 1 1 47 47 CYS CB C 13 19.189 . . . . . . . A 47 CYS CB . 30561 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30561 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'all atom assignment in list' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume 1 1 9.77115 4.48149 8GlyH 7SerHa None 1.79942e+07 2 2 9.76474 4.09561 8GlyH 8GlyHab None 5.23270e+06 3 3 9.76883 3.89640 8GlyH 8GlyHaa None 8.77520e+06 4 4 9.24915 5.52265 45AsnH 4GluHa None 5.99819e+06 5 5 9.26103 5.34456 45AsnH 2ThrHa None 4.43925e+06 6 6 9.24927 5.27072 45AsnH 44ThrHa None 5.39719e+07 7 7 9.24280 5.11078 45AsnH 45AsnHa None 1.01317e+07 8 8 9.24754 4.07282 45AsnH (44Thr/2Thr)Hb None 4.53197e+06 9 9 9.24710 1.84943 45AsnH (11Lys/36Arg)(Hd3/Hgb) None 1.62706e+07 10 10 9.25447 1.80789 45AsnH 4GluHba None 5.40004e+06 11 11 9.24526 1.36857 45AsnH 47CysHb2 None 7.56708e+06 12 12 9.25615 1.12720 45AsnH 44ThrHg2* None 1.69715e+07 13 13 9.25467 9.07295 45AsnH 3CysH None 1.06767e+07 14 14 9.02448 7.56986 44ThrH 32SerH None 8.00355e+06 15 15 9.05709 9.26153 3CysH 45AsnH None 1.60777e+07 16 16 5.07070 2.69478 (45Asn/39Phe)Ha (39Phe/45Asn)Hba None 7.58017e+06 17 17 9.16469 2.62820 24CysH 24CysHbb None 1.11306e+07 18 18 9.14461 2.94724 24CysH 43CysHba None 1.16812e+07 19 19 9.16198 4.10302 24CysH 24CysHa None 5.83489e+06 20 20 9.14745 5.95325 43CysH 43CysHa None 4.15317e+06 21 21 9.14951 3.24641 24CysH 43CysHbb None 4.42662e+06 22 22 9.16644 7.84016 24CysH 25ArgH None 5.22250e+06 23 23 9.07222 5.10587 3CysH 3CysHa None 7.07764e+06 24 24 9.05055 5.09997 (42Trp/33Gly)H (36Arg/45Asn)Ha None 1.01096e+07 25 25 9.00500 4.90854 37AspH 16ProHa None 1.35765e+07 26 26 9.05614 5.35088 3CysH 2ThrHa None 5.82889e+07 27 27 9.02212 5.26700 44ThrH 44ThrHa None 8.85871e+06 28 28 9.04655 4.56460 33GlyH 32SerHa None 1.81688e+07 29 29 9.02684 4.05755 44ThrH 44ThrHb None 2.43261e+07 30 30 9.04712 4.00562 33GlyH 32SerHba None 2.76135e+07 31 31 9.05467 4.08329 3CysH 2ThrHb None 3.27035e+07 32 32 9.00620 0.78862 44ThrH 31LeuHda* None 9.25825e+06 33 33 9.05564 1.04343 3CysH 2ThrHg2* None 7.27568e+06 34 34 9.05664 1.12471 3CysH 44ThrHg2* None 9.38488e+06 35 35 9.05735 2.74805 3CysH 3CysHba None 1.36586e+07 36 36 9.00366 2.94818 44ThrH 43CysHba None 6.28075e+06 37 37 9.05327 2.92115 42TrpH 42TrpHb2 None 7.77446e+06 38 38 9.04566 3.15840 33GlyH (21Asn/34Arg)(Hbb/Hda) None 3.56999e+06 39 39 9.02346 3.24909 44ThrH 43CysHbb None 1.08747e+07 40 40 9.02589 5.95600 44ThrH 43CysHa None 3.03877e+07 41 41 8.95832 5.52857 5AsnH 4GluHa None 3.92915e+07 42 42 8.95880 5.26854 5AsnH 5AsnHa None 1.36966e+07 43 43 9.00660 5.11048 37AspH 36ArgHa None 5.13160e+07 44 44 8.96517 6.95975 5AsnH 42TrpHe3 None 4.00105e+06 45 45 8.95803 2.47146 5AsnH 5AsnHba None 8.47552e+06 46 46 8.95728 2.29089 5AsnH 4GluHgb None 4.30436e+06 47 47 8.95989 2.20110 5AsnH 4GluHga None 3.58975e+06 48 48 9.00641 2.89058 37AspH 39PheHbb None 1.63187e+07 49 49 9.00633 2.69776 37AspH 39PheHba None 3.24903e+07 50 50 9.00594 2.18904 37AspH 36ArgHbb None 2.14202e+07 51 51 9.00324 1.80354 44ThrH 4GluHba None 7.38584e+06 52 52 9.00440 1.71526 44ThrH 31LeuHg None 6.85131e+06 53 53 9.02160 1.12466 44ThrH 44ThrHg2* None 6.75836e+06 54 54 9.00723 0.94680 (37Asp/44Thr)H (30Leu/15Ile)(Hdb*/Hg2*) None 3.52558e+06 55 55 8.95629 2.74739 5AsnH 5AsnHbb None 3.40363e+06 56 56 8.86478 4.69051 26AsnH (29His/27Asn)Ha None 4.78696e+06 57 57 8.86085 5.33371 34ArgH 33GlyHab None 1.34073e+07 58 58 8.86702 4.85008 34ArgH 34ArgHa None 1.25130e+07 59 59 8.89709 4.46635 26AsnH 26AsnHa None 8.10252e+06 60 60 8.88682 4.28156 26AsnH 25ArgHa None 4.41484e+06 61 61 8.89214 3.92514 26AsnH 22LysHa None 3.23647e+06 62 62 8.89359 7.97795 26AsnH 27AsnH None 1.17564e+07 63 63 8.89523 7.83708 26AsnH 25ArgH None 9.28323e+06 64 64 8.89321 2.85571 26AsnH 26AsnHbb None 1.79255e+07 65 65 8.89676 2.72115 26AsnH 26AsnHba None 6.88614e+06 66 66 8.86567 2.04042 34ArgH 34ArgHbb None 1.00595e+07 67 67 8.86714 1.63444 26AsnH 22LysHgb None 2.15780e+07 68 68 8.89242 1.80725 26AsnH 25ArgHbb None 6.98959e+06 69 69 8.89510 1.54763 34ArgH 34ArgHga None 1.20751e+07 70 70 8.89868 1.48529 26AsnH 25ArgHba None 3.72997e+06 71 71 8.86411 4.09819 (35Cys/34Arg)H (33Gly/35Cys)Ha* None 8.20181e+06 72 72 8.72686 2.07362 4GluH 4GluHbb None 1.42386e+07 73 73 8.64447 0.47102 7SerH 6LeuHg None 3.96815e+06 74 74 8.63982 0.07788 7SerH 6LeuHda* None 4.97146e+06 75 75 8.64106 0.94706 30LeuH 30LeuHda* None 1.39724e+07 76 76 8.64044 1.44387 30LeuH 30LeuHba None 1.59960e+07 77 77 8.64132 1.75243 30LeuH 30LeuHg None 1.95263e+07 78 78 8.72464 1.98640 None 22LysHb* None 7.72866e+06 79 79 8.63795 1.92227 30LeuH 30LeuHbb None 6.32130e+06 80 80 8.72692 1.81101 4GluH 4GluHba None 1.09163e+07 81 81 8.64399 2.22267 30LeuH 28GluHb3 None 4.08826e+06 82 82 8.63911 3.53126 7SerH 7SerHba None 1.25961e+07 83 83 8.63915 3.06583 7SerH 6LeuHa None 3.80051e+07 84 84 8.64185 4.65398 30LeuH 29HisHa None 1.43086e+07 85 85 8.64081 4.48337 7SerH 7SerHa None 7.62288e+06 86 86 8.64141 4.27397 30LeuH 25ArgHa None 1.99173e+07 87 87 8.63767 4.11279 7SerH 7SerHbb None 1.15570e+07 88 88 8.64162 4.94792 30LeuH 30LeuHa None 1.23615e+07 89 89 8.64156 6.48878 30LeuH None None 1.39266e+07 90 90 8.72618 5.10060 4GluH 3CysHa None 5.47099e+07 91 91 8.76821 4.68525 36ArgH (40Arg/37Asp)Ha None 1.51071e+07 92 92 8.72730 2.92336 4GluH 3CysHbb None 1.06304e+07 93 93 8.23150 4.10710 20CysH 18GlyHaa None 5.44578e+06 94 94 8.36811 4.31538 20CysH 20CysHa None 5.55704e+06 95 95 8.36927 4.18203 20CysH 35CysHa None 1.75547e+07 96 96 8.36963 7.96214 20CysH 39PheH None 1.77691e+07 97 97 8.43538 4.17472 2ThrH 1LysHa None 3.89379e+07 98 98 8.42333 4.08019 2ThrH 2ThrHb None 5.75886e+06 99 99 8.41933 3.32950 40ArgH 36ArgHdb None 3.63852e+06 100 100 8.41942 3.22232 40ArgH 36ArgHda None 6.46502e+06 101 101 8.41535 3.15564 20CysH 21AsnHbb None 7.73970e+06 102 102 8.41982 2.89383 40ArgH 39PheHbb None 1.52152e+07 103 103 8.41200 2.80734 40ArgH (10Phe/21Asn)Hb* None 7.99812e+06 104 104 8.41821 2.69913 40ArgH 39PheHba None 7.31073e+06 105 105 8.42658 1.97919 2ThrH 1LysHb2 None 1.05249e+07 106 106 8.43085 1.51230 2ThrH 1LysHg* None 1.11322e+07 107 107 8.42878 1.04344 2ThrH 2ThrHg2* None 1.30215e+07 108 108 8.41662 4.66399 40ArgH 40ArgHa None 1.21255e+07 109 109 8.42144 5.35156 2ThrH 2ThrHa None 2.54619e+07 110 110 8.41988 5.08280 40ArgH 39PheHa None 8.13675e+07 111 111 8.42734 8.71962 2ThrH 4GluH None 4.98104e+06 112 112 8.12393 3.06560 6LeuH 6LeuHa None 1.15573e+07 113 113 8.12381 2.74937 6LeuH 5AsnHbb None 2.12318e+07 114 114 8.12345 2.47513 6LeuH 5AsnHba None 8.35261e+06 115 115 8.12321 0.93939 6LeuH 6LeuHbb None 1.68300e+07 116 116 8.12446 0.74347 6LeuH 6LeuHba None 2.64150e+07 117 117 8.12430 0.47075 6LeuH 6LeuHg None 5.47911e+06 118 118 8.12434 0.25822 6LeuH 6LeuHdb* None 1.82987e+07 119 119 8.12343 0.07560 6LeuH 6LeuHda* None 3.04130e+06 120 120 8.12363 5.26696 6LeuH 5AsnHa None 4.18637e+07 121 121 8.12285 6.95358 6LeuH 5AsnHd2a None 2.63297e+06 122 122 8.10343 7.06864 6LeuH 42TrpHz3 None 1.88124e+07 123 123 8.12509 7.12638 6LeuH 42TrpHz3 None 5.81282e+06 124 124 8.18474 7.56908 31LeuH (45Asn/32Ser)(Hd2b/H) None 1.80925e+07 125 125 8.18557 5.11268 31LeuH 45AsnHa None 1.30922e+07 126 126 8.18395 4.94574 31LeuH 30LeuHa None 1.65277e+07 127 127 8.22788 4.40713 12GlyH 11LysHa None 2.62918e+07 128 128 8.18473 4.18502 31LeuH 31LeuHa None 1.32066e+07 129 129 8.18418 1.92428 31LeuH 30LeuHbb None 4.26739e+07 130 130 8.18345 1.71448 31LeuH 31LeuHg None 2.62507e+07 131 131 8.18470 1.62286 31LeuH 31LeuHbb None 2.30620e+07 132 132 8.18400 1.43603 31LeuH 31LeuHba None 2.64973e+07 133 133 8.18399 0.94919 31LeuH 30LeuHdb* None 1.04357e+07 134 134 8.18412 0.86933 31LeuH 31LeuHdb* None 5.82930e+06 135 135 8.18651 0.78920 31LeuH 31LeuHda* None 4.59304e+06 136 136 7.96473 4.69067 27AsnH 27AsnHa None 1.08086e+07 137 137 7.96715 4.46518 27AsnH 26AsnHa None 2.89680e+06 138 138 7.96532 4.28973 27AsnH (28Glu/25Arg)Ha None 1.04972e+07 139 139 7.94657 2.64432 39PheH 38AspHb3 None 6.34613e+06 140 140 7.95111 8.38262 39PheH 20CysH None 1.25680e+07 141 141 7.96490 2.85782 27AsnH 26AsnHbb None 1.01660e+07 142 142 7.96557 2.71796 27AsnH 26AsnHba None 4.46064e+06 143 143 7.96433 2.47189 27AsnH 27AsnHbb None 1.00754e+07 144 144 7.96439 2.20250 39PheH 36ArgHbb None 2.11206e+07 145 145 7.76900 6.78935 21AsnHd2b 21AsnHd2a None 1.28530e+08 146 146 6.77924 2.80848 10PheHd* 10PheHbb None 9.62601e+06 147 147 6.77732 7.78283 21AsnHd2a 21AsnHd2b None 1.37654e+08 148 148 8.42105 9.06837 2ThrH 3CysH None 4.87720e+06 149 149 7.96824 6.49154 27AsnH None None 4.22680e+06 150 150 7.92345 7.03323 27AsnH 28GluH None 1.01434e+08 151 151 7.96507 8.90800 27AsnH 26AsnH None 1.62644e+07 152 152 7.76350 1.15638 9ThrH 9ThrHg2* None 1.66998e+07 153 153 7.82294 1.54669 10PheH 11LysHd2 None 1.71716e+07 154 154 7.82151 1.49320 10PheH 11LysHba None 2.04252e+07 155 155 7.79901 2.42421 11LysH 10PheHba None 6.39933e+06 156 156 7.82719 2.62608 25ArgH 24CysHbb None 6.52703e+06 157 157 7.82708 1.80686 25ArgH 25ArgHbb None 8.85832e+06 158 158 7.80165 2.75438 25ArgH 26AsnHba None 5.81932e+06 159 159 7.76935 2.80703 21AsnHd2b 21AsnHba None 1.96341e+07 160 160 7.77035 3.14956 21AsnHd2b 21AsnHbb None 7.35173e+06 161 161 7.82516 3.92440 10PheH 8GlyHaa None 4.08865e+06 162 162 7.75846 3.88682 9ThrH 8GlyHaa None 5.82262e+06 163 163 7.82651 4.27689 27AsnHd2b (28Glu/25Arg)Ha None 9.17635e+06 164 164 7.76480 4.52845 9ThrH 9ThrHa None 1.36415e+07 165 165 7.82509 9.17738 27AsnHd2b 24CysH None 4.99219e+06 166 166 7.82512 8.90567 27AsnHd2b 26AsnH None 1.08096e+07 167 167 7.72332 5.26571 5AsnHd2b 5AsnHa None 2.49227e+06 168 168 7.70906 4.40376 11LysH 11LysHa None 4.55737e+06 169 169 7.72147 6.93418 19AsnHd2b 39PheHd* None 1.68554e+08 170 170 7.69428 3.92624 22LysH 22LysHa None 7.14576e+06 171 171 7.71612 3.36248 19AsnHd2b 36ArgHdb None 1.12485e+07 172 172 7.71892 2.75187 5AsnHd2b 5AsnHbb None 8.91976e+06 173 173 7.72036 2.47435 5AsnHd2b 5AsnHba None 6.54024e+06 174 174 7.68837 2.81144 22LysH 21AsnHba None 6.43883e+06 175 175 7.69089 1.98609 22LysH 22LysHb* None 1.71146e+07 176 176 7.70865 1.48909 22LysH 22LysHga None 8.02291e+06 177 177 7.71871 7.13127 19AsnHd2b 19AsnHd2a None 8.86349e+07 178 178 7.67131 4.48056 26AsnHd2b 26AsnHa None 9.31371e+06 179 179 7.55328 4.18127 32SerH 31LeuHa None 5.33393e+06 180 180 7.55639 4.05739 32SerH 44ThrHb None 9.57084e+06 181 181 7.55563 4.56539 32SerH 32SerHa None 1.17230e+07 182 182 7.61537 7.02179 26AsnHd2b 26AsnHd2a None 2.51653e+08 183 183 7.57615 7.08044 45AsnHd2b 45AsnHd2a None 2.32632e+08 184 184 7.55619 8.19687 32SerH 31LeuH None 2.45630e+07 185 185 7.61595 9.01946 26AsnHd2b 33GlyH None 4.61805e+06 186 186 7.55552 9.04048 32SerH 33GlyH None 1.20393e+07 187 187 7.61562 2.89349 26AsnHd2b 26AsnHbb None 8.45805e+06 188 188 7.57636 2.85128 26AsnHd2b 26AsnHbb None 1.44654e+07 189 189 7.55464 0.86927 32SerH 31LeuHdb* None 3.35794e+06 190 190 7.61655 0.87087 45AsnHd2b 31LeuHdb* None 6.13914e+06 191 191 7.55413 0.78518 32SerH 31LeuHda* None 3.83228e+06 192 192 7.61596 0.78608 (32Ser/45Asn)H 31LeuHda* None 4.27715e+06 193 193 7.55551 1.42807 32SerH 31LeuHba None 1.28642e+07 194 194 7.55480 1.12482 32SerH 44ThrHg2* None 3.52628e+06 195 195 7.57749 1.48132 45AsnHd2b 30LeuHba None 4.88148e+06 196 196 7.57557 1.98906 45AsnHd2b 28GluHg* None 5.77447e+06 197 197 7.55912 1.93030 32SerH 30LeuHbb None 4.92812e+06 198 198 7.55950 1.70664 32SerH 31LeuHg None 3.81633e+06 199 199 7.55909 1.62628 32SerH 31LeuHbb None 2.12707e+07 200 200 7.67306 2.20303 19AsnHd2b 36ArgHbb None 4.72622e+06 201 201 7.57505 2.72290 45AsnHd2b 45AsnHba None 1.23478e+07 202 202 7.61576 2.69807 26AsnHd2b 26AsnHba None 2.36571e+07 203 203 7.55863 2.55410 32SerH 24CysHbb None 1.64754e+06 204 204 7.67064 2.46971 5AsnHd2b 5AsnHba None 9.54328e+06 205 205 7.57762 3.92384 26AsnHd2b 22LysHa None 3.15096e+06 206 206 7.11057 2.29151 42TrpHz3 (4Glu/11Lys)(Hgb/Hd3) None 3.86349e+06 207 207 7.11428 2.87258 42TrpHz3 42TrpHb3 None 2.05734e+06 208 208 7.11388 5.26640 42TrpHz3 5AsnHa None 2.92552e+07 209 209 7.11058 6.95517 42TrpHz3 42TrpHe3 None 5.45011e+07 210 210 7.11672 7.49326 42TrpHz3 42TrpHz2 None 1.37990e+07 211 211 7.11754 7.73180 19AsnHd2a 19AsnHd2b None 1.14710e+08 212 212 7.11124 8.13442 42TrpHz3 6LeuH None 7.10456e+06 213 213 7.40231 2.94107 42TrpHd1 42TrpHb2 None 5.08195e+06 214 214 7.48317 7.13282 42TrpHz2 42TrpHz3 None 6.38420e+06 215 215 7.48373 7.19640 42TrpHz2 42TrpHh2 None 5.17944e+07 216 216 7.40310 9.00853 42TrpHd1 (5Asn/44Thr)H None 5.18369e+06 217 217 7.00832 0.87091 45AsnHd2a 31LeuHdb* None 1.09053e+07 218 218 7.00906 0.78540 45AsnHd2a 31LeuHda* None 7.17626e+06 219 219 7.11975 3.36448 19AsnHd2a 36ArgHdb None 4.25057e+06 220 220 7.05785 8.11650 42TrpHz3 6LeuH None 2.24781e+07 221 221 7.06670 7.58844 45AsnHd2a 45AsnHd2b None 2.33496e+08 222 222 7.02148 4.28321 28GluH 28GluHa None 7.05021e+06 223 223 7.06589 3.92218 26AsnHd2a 22LysHa None 3.77323e+06 224 224 7.06688 2.85750 45AsnHd2a 46ArgHda None 6.57735e+06 225 225 7.06784 2.72291 45AsnHd2a 45AsnHba None 5.77471e+06 226 226 7.02502 2.01665 28GluH 28GluHg* None 9.34011e+06 227 227 7.02068 2.20454 28GluH 28GluHb3 None 8.61133e+06 228 228 7.02141 2.46893 28GluH 27AsnHbb None 5.92549e+06 229 229 7.00877 2.89584 26AsnHd2a 26AsnHbb None 3.39385e+06 230 230 7.00717 2.69736 26AsnHd2a 26AsnHba None 7.34980e+06 231 231 7.02486 3.59896 28GluH 29HisHb* None 3.46212e+06 232 232 7.02668 4.10227 28GluH 24CysHa None 9.69750e+06 233 233 6.97470 6.48714 28GluH None None 1.76140e+07 234 234 7.18028 7.49283 42TrpHh2 42TrpHz2 None 5.08324e+07 235 235 7.17684 6.95905 19AsnHd2a 39PheHd* None 6.31617e+06 236 236 6.95059 7.13125 42TrpHe3 42TrpHz3 None 7.15811e+07 237 237 7.00973 7.63309 26AsnHd2a 26AsnHd2b None 2.36195e+08 238 238 7.02696 9.18229 28GluH 24CysH None 3.57170e+06 239 239 6.94151 8.97054 5AsnHd2a 5AsnH None 7.03039e+06 240 240 6.94178 8.13655 42TrpHe3 6LeuH None 4.62981e+06 241 241 6.97490 7.97651 39PheHd* 39PheH None 2.62264e+07 242 242 6.92020 7.41877 42TrpHe3 42TrpHd1 None 4.13158e+07 243 243 6.94232 5.26616 42TrpHe3 5AsnHa None 2.97098e+07 244 244 6.91992 5.06933 39PheHd* 39PheHa None 8.20299e+06 245 245 6.97762 4.09857 27AsnHd2a 24CysHa None 3.93985e+06 246 246 6.91905 3.47272 5AsnHd2a 10PheHa None 5.70381e+06 247 247 6.92127 3.37439 39PheHd* 36ArgHdb None 4.38501e+06 248 248 6.94120 2.93801 42TrpHe3 42TrpHb2 None 1.28784e+07 249 249 6.94178 2.86934 (39Phe/42Trp)(Hd*/He3) (42Trp/39Phe)Hb* None 2.87201e+07 250 250 6.91943 2.75055 5AsnHd2a 5AsnHbb None 1.18962e+07 251 251 6.93174 3.06218 5AsnHd2a 6LeuHa None 3.38514e+06 252 252 6.92103 2.99819 (42Trp/39Phe)(He3/Hd*) (14Cys/1Lys)(Hba/He*) None 1.11250e+07 253 253 6.92162 2.47338 5AsnHd2a 5AsnHba None 7.13387e+06 254 254 6.97421 2.47394 42TrpHe3 5AsnHba None 7.20322e+06 255 255 6.94224 2.28704 42TrpHe3 4GluHgb None 3.54431e+07 256 256 6.94498 2.20934 39PheHd* 36ArgHbb None 1.68587e+07 257 257 6.94263 2.07310 42TrpHe3 4GluHbb None 1.27386e+07 258 258 6.97416 2.01112 42TrpHe3 (34Arg/11Lys)(Hbb/Hd3) None 1.18852e+07 259 259 6.94022 1.81313 39PheHd* 36Arg(Hba/Hgb) None 4.25792e+06 260 260 6.80929 2.04240 10PheHd* 11LysHd3 None 7.06988e+06 261 261 6.80855 2.41840 10PheHd* 10PheHba None 1.64649e+07 262 262 6.80969 2.75422 10PheHd* 10PheHbb None 2.31011e+07 263 263 6.78525 2.63276 21AsnHd2a 20CysHba None 3.60304e+06 264 264 6.80776 3.47224 10PheHd* 10PheHa None 7.65576e+06 265 265 6.81046 3.36674 19AsnH 36ArgHdb None 6.45087e+06 266 266 6.81003 4.32852 19AsnH (18Gly/19Asn)Ha* None 6.67256e+06 267 267 6.80797 1.62295 10PheHd* 11LysHbb None 6.41919e+06 268 268 6.81291 6.93658 10PheHd* 5AsnHd2a None 1.33845e+08 269 269 6.81042 7.41965 10PheHd* 42TrpHd1 None 7.27881e+06 270 270 6.77063 7.51167 10PheHd* 42TrpHz2 None 5.53478e+06 271 271 6.81690 8.88460 21AsnHd2a (35Cys/34Arg)H None 1.85638e+06 272 272 6.47474 8.65497 None 30LeuH None 1.41337e+07 273 273 6.47370 7.97676 None 27AsnH None 4.54861e+06 274 274 6.47430 6.98793 None 28GluH None 2.57382e+07 275 275 6.47566 4.27570 None 25ArgHa None 1.11776e+07 276 276 6.47452 4.65810 None 29HisHa None 5.23752e+07 277 277 6.47281 2.21823 None 28GluHb3 None 5.03618e+06 278 278 8.73201 5.53014 4GluH 4GluHa None 7.88917e+06 279 279 9.16618 3.59007 24CysH 29HisHb2 None 3.26411e+06 280 280 9.16750 2.55071 24CysH 24CysHb* None 4.54237e+06 281 281 8.73033 2.74825 4GluH 3CysHba None 3.92169e+06 282 282 8.23290 3.87079 12GlyH 12GlyHaa None 5.32498e+06 283 283 0.06417 0.94088 6LeuHda* 6LeuHbb None 1.46934e+07 284 284 0.73417 3.06498 6LeuHba 6LeuHa None 6.15055e+06 285 285 4.46719 9.78439 7SerHa 8GlyH None 1.32972e+07 286 286 4.06912 9.78488 8GlyHab 8GlyH None 5.71060e+06 287 287 3.89391 9.78301 8GlyHaa 8GlyH None 9.09790e+06 288 288 7.76157 9.78624 9ThrH 8GlyH None 9.60817e+06 289 289 5.94374 5.33312 43CysHa 33GlyHab None 1.73836e+07 290 290 5.94092 4.08737 43CysHa 33GlyHaa None 1.10784e+07 291 291 5.94131 3.24616 43CysHa 43CysHbb None 1.65556e+07 292 292 5.94374 2.94705 43CysHa 43CysHba None 9.56821e+06 293 293 5.94263 9.15935 43CysHa 43CysH None 6.72822e+06 294 294 5.94260 9.03932 43CysHa (33Gly/44Thr)H None 3.20173e+07 295 295 5.51707 5.27128 4GluHa 44ThrHa None 2.47339e+07 296 296 5.51772 2.29195 4GluHa 4GluHgb None 4.91509e+06 297 297 5.51580 2.20841 4GluHa 4GluHga None 9.28436e+06 298 298 5.51726 2.07472 4GluHa 4GluHbb None 8.60387e+06 299 299 5.51211 1.81010 4GluHa 4GluHba None 1.35663e+07 300 300 5.51460 8.97172 4GluHa 5AsnH None 3.18725e+07 301 301 5.52411 9.26169 4GluHa 45AsnH None 4.30642e+06 302 302 5.25177 2.74945 5AsnHa 5AsnHbb None 2.41012e+07 303 303 5.24554 2.47543 5AsnHa 5AsnHba None 1.11148e+07 304 304 5.25755 2.20091 44ThrHa 4GluHga None 4.79213e+06 305 305 5.25483 1.81277 44ThrHa 4GluHba None 5.79972e+06 306 306 5.34042 1.12435 2ThrHa 44ThrHg2* None 1.02720e+07 307 307 5.33928 1.04326 2ThrHa 2ThrHg2* None 4.90322e+07 308 308 5.34322 0.79444 2ThrHa 31LeuHda* None 4.33810e+06 309 309 5.09849 2.18868 36ArgHa 36ArgHbb None 2.08883e+07 310 310 5.25909 4.06517 44ThrHa 44ThrHb None 1.59969e+07 311 311 5.33809 4.08554 2ThrHa 2ThrHb None 7.26488e+07 312 312 5.33915 5.08371 2ThrHa 3CysHa None 3.91275e+07 313 313 5.32423 5.95824 33GlyHab 43CysHa None 1.44712e+07 314 314 5.33904 8.43525 2ThrHa 2ThrH None 2.30021e+07 315 315 5.33269 8.87513 33GlyHab 34ArgH None 7.88207e+06 316 316 5.33951 9.06985 (33Gly/2Thr)Ha* (3Cys/33Gly)H None 6.68586e+07 317 317 5.25863 9.26165 44ThrHa 45AsnH None 5.87769e+07 318 318 5.25655 9.04051 44ThrHa 44ThrH None 9.02188e+06 319 319 5.25602 8.97179 5AsnHa 5AsnH None 1.25458e+07 320 320 5.25303 8.13546 5AsnHa 6LeuH None 4.10620e+07 321 321 5.25583 7.72970 5AsnHa 5AsnHd2b None 4.59698e+06 322 322 5.25194 7.12792 5AsnHa 42TrpHz3 None 2.43017e+07 323 323 5.25340 6.95255 5AsnHa 5AsnHd2a None 2.33825e+07 324 324 5.25808 5.52975 44ThrHa 4GluHa None 3.80327e+07 325 325 5.25912 1.12450 44ThrHa 44ThrHg2* None 3.46713e+07 326 326 5.11084 9.26374 45AsnHa 45AsnH None 5.66657e+06 327 327 5.07265 9.07023 3CysHa 3CysH None 7.51702e+06 328 328 5.09855 9.02071 36ArgHa 37AspH None 3.05589e+07 329 329 5.08769 8.74026 3CysHa 4GluH None 2.87026e+07 330 330 5.07058 8.43188 39PheHa 40ArgH None 3.09286e+07 331 331 5.09872 8.19689 45AsnHa 31LeuH None 6.32734e+06 332 332 5.07062 5.35236 3CysHa 2ThrHa None 1.69002e+07 333 333 5.08873 2.74995 (3Cys/45Asn)Ha (3Cys/45Asn)Hba None 6.92812e+06 334 334 5.07972 2.90781 (39Phe/3Cys)Ha (3Cys/39Phe)Hbb None 1.66486e+07 335 335 5.09881 1.92481 45AsnHa 30LeuHbb None 5.73557e+06 336 336 5.09831 1.79555 36ArgHa 36Arg(Hgb/Hba) None 1.97483e+07 337 337 5.09846 1.71494 45AsnHa 46ArgHba None 2.16039e+07 338 338 5.09550 1.62679 45AsnHa 46ArgHgb None 6.93553e+06 339 339 5.07170 1.04242 45AsnHa 2ThrHg2* None 1.36811e+07 340 340 5.09724 0.94545 45AsnHa 30LeuHd* None 1.10475e+07 341 341 5.09903 0.87551 36ArgHa 15IleHd1* None 7.41009e+06 342 342 5.10343 0.79042 45AsnHa 31LeuHda* None 1.20898e+07 343 343 4.55141 1.49486 32SerHa 25ArgHg* None 3.87127e+06 344 344 4.51175 1.15674 9ThrHa 9ThrHg2* None 1.94126e+07 345 345 4.55218 4.12364 32SerHa 32SerHbb None 5.51772e+06 346 346 4.55109 3.99420 32SerHa 32SerHba None 1.08700e+07 347 347 4.50994 7.77462 9ThrHa 9ThrH None 7.93493e+06 348 348 4.55157 9.05802 32SerHa 33GlyH None 7.54873e+06 349 349 4.46490 1.15755 9ThrHb 9ThrHg2* None 5.17017e+07 350 350 4.45542 2.85655 26AsnHa 26AsnHbb None 1.64304e+07 351 351 4.45547 2.72122 26AsnHa 26AsnHba None 2.47771e+07 352 352 4.46712 4.11923 7SerHa 7SerHbb None 3.46122e+06 353 353 4.46499 7.69072 7SerHa 5AsnHd2b None 4.36356e+06 354 354 4.44655 8.91044 26AsnHa 26AsnH None 7.00793e+06 355 355 4.47161 8.65468 7SerHa 7SerH None 4.74040e+06 356 356 4.39097 8.24309 11LysHa 12GlyH None 2.43619e+07 357 357 4.39262 7.72489 11LysHa 11LysH None 5.97391e+06 358 358 4.39221 1.59231 11LysHa 11LysHbb None 1.96037e+07 359 359 4.39565 1.49673 11LysHa 11LysHba None 7.54437e+06 360 360 4.38981 1.34313 11LysHa 11LysHgb None 4.30828e+06 361 361 4.39042 1.24717 11LysHa 11LysHga None 6.93180e+06 362 362 4.28387 8.73184 20CysHa None None 6.65170e+06 363 363 4.26242 8.65347 25ArgHa 30LeuH None 2.03664e+07 364 364 4.30596 8.38264 20CysHa 20CysH None 5.88638e+06 365 365 0.06652 8.13292 6LeuHda* 6LeuH None 4.58089e+06 366 366 0.06498 3.06560 6LeuHda* 6LeuHa None 1.31721e+07 367 367 0.06513 2.01555 6LeuHda* 34ArgHbb None 7.91046e+06 368 368 0.06509 1.65450 6LeuHda* (34Arg/41Cys)Hba None 1.41666e+07 369 369 0.06489 0.73811 6LeuHda* 6LeuHba None 6.74163e+06 370 370 0.06548 0.46878 6LeuHda* 6LeuHg None 4.07884e+07 371 371 0.06963 0.25802 6LeuHda* 6LeuHdb* None 4.23451e+07 372 372 1.99815 0.08168 34ArgHbb 6LeuHda* None 7.56699e+06 373 373 1.63847 0.07509 34ArgHba 6LeuHda* None 1.28473e+07 374 374 1.55311 0.07459 11LysHd2 6LeuHda* None 4.35110e+06 375 375 0.92229 0.07757 6LeuHbb 6LeuHda* None 1.11498e+07 376 376 0.73008 0.07849 6LeuHba 6LeuHda* None 4.15616e+06 377 377 0.45632 0.07660 6LeuHg 6LeuHda* None 4.76183e+07 378 378 0.23915 0.07803 6LeuHdb* 6LeuHda* None 3.41344e+07 379 379 0.24986 0.46770 6LeuHdb* 6LeuHg None 3.42761e+07 380 380 0.24936 0.74440 6LeuHdb* 6LeuHba None 6.22701e+06 381 381 0.24626 0.93561 6LeuHdb* 6LeuHbb None 2.89746e+06 382 382 0.24704 8.13773 6LeuHdb* 6LeuH None 8.77945e+06 383 383 0.45259 0.25989 6LeuHg 6LeuHdb* None 4.55896e+07 384 384 0.45701 0.94057 6LeuHg 6LeuHbb None 1.50781e+07 385 385 0.45755 0.74068 6LeuHg 6LeuHba None 1.64880e+07 386 386 0.45716 1.65570 6LeuHg (41Cys/34Arg)Hba None 7.31875e+06 387 387 0.45766 3.13031 6LeuHg 34ArgHda None 3.51855e+06 388 388 0.45624 3.06751 6LeuHg 6LeuHa None 6.20088e+06 389 389 0.45600 7.49211 6LeuHg 42TrpHz2 None 3.08388e+06 390 390 0.45524 8.13998 6LeuHg 6LeuH None 4.50455e+06 391 391 0.45271 8.64997 6LeuHg 7SerH None 3.12472e+06 392 392 0.72975 0.46827 6LeuHba 6LeuHg None 9.05045e+06 393 393 0.72722 0.26233 6LeuHba 6LeuHdb* None 7.38778e+06 394 394 0.77733 0.87357 31LeuHda* 31LeuHdb* None 9.49792e+07 395 395 0.77441 1.12471 31LeuHda* 44ThrHg2* None 3.60020e+07 396 396 0.77468 1.04294 31LeuHda* 2ThrHg2* None 4.31351e+07 397 397 0.78005 1.71305 31LeuHda* 31LeuHg None 4.38439e+07 398 398 0.77887 1.62613 31LeuHda* 31LeuHbb None 3.18847e+07 399 399 0.77459 1.42680 31LeuHda* 31LeuHba None 3.05412e+07 400 400 0.73536 0.94023 6LeuHba 6LeuHbb None 7.08090e+07 401 401 0.77379 1.92068 31LeuHda* 30LeuHbb None 2.65095e+07 402 402 0.77574 1.80381 31LeuHda* 4GluHba None 5.13624e+06 403 403 0.77599 5.10595 31LeuHda* 45AsnHa None 1.32084e+07 404 404 0.77718 4.18694 31LeuHda* 31LeuHa None 6.65497e+06 405 405 0.77446 4.07861 31LeuHda* 44ThrHb None 6.19578e+06 406 406 0.77449 9.01771 31LeuHda* 44ThrH None 8.20425e+06 407 407 0.77815 8.19723 31LeuHda* 31LeuH None 2.66037e+06 408 408 0.73339 8.13681 6LeuHba 6LeuH None 1.02000e+07 409 409 0.77620 7.02074 31LeuHda* 45AsnHd2a None 4.74957e+06 410 410 1.03059 0.78694 2ThrHg2* 31LeuHda* None 4.17070e+07 411 411 1.02756 1.28054 2ThrHg2* 46ArgHga None 2.41163e+07 412 412 1.03811 1.91932 2ThrHg2* 46ArgHbb None 6.91223e+06 413 413 1.03001 4.17470 2ThrHg2* 1LysHa None 5.58962e+06 414 414 1.02893 4.08314 2ThrHg2* 2ThrHb None 5.13842e+07 415 415 1.03165 4.58866 2ThrHg2* 32SerHa None 6.40071e+06 416 416 1.02995 5.35081 2ThrHg2* 2ThrHa None 3.22913e+07 417 417 1.03046 5.08370 2ThrHg2* 45AsnHa None 1.67767e+07 418 418 1.03073 8.44431 2ThrHg2* 2ThrH None 8.92449e+06 419 419 0.85726 7.02216 31LeuHdb* 45AsnHd2a None 9.11107e+06 420 420 0.85812 7.62832 31LeuHdb* 45AsnHd2b None 5.08799e+06 421 421 0.94754 8.19627 30LeuHdb* 31LeuH None 5.10321e+06 422 422 0.92694 8.19576 30LeuHda* 31LeuH None 7.17682e+06 423 423 0.92262 8.13488 6LeuHbb 6LeuH None 9.65147e+06 424 424 0.86114 8.19595 31LeuHdb* 31LeuH None 5.00899e+06 425 425 0.92948 5.10836 30LeuHda* 45AsnHa None 1.00917e+07 426 426 0.85738 5.11024 31LeuHdb* 45AsnHa None 4.40716e+06 427 427 1.02972 9.07111 2ThrHg2* 3CysH None 7.14060e+06 428 428 0.85676 1.42561 31LeuHdb* 31LeuHba None 2.55061e+07 429 429 0.85639 1.62630 31LeuHdb* 31LeuHbb None 9.61463e+06 430 430 0.86458 1.71660 31LeuHdb* 31LeuHg None 4.24695e+07 431 431 0.85899 0.78405 31LeuHdb* 31LeuHda* None 8.88465e+07 432 432 0.86514 9.02278 31LeuHdb* 44ThrH None 3.15258e+06 433 433 0.96754 1.19782 15IleHg2* 15IleHg1a None 2.04814e+07 434 434 0.88070 1.28424 15IleHd1* 15IleHg1b None 3.79823e+07 435 435 0.88150 1.19719 15IleHd1* 15IleHg1a None 4.21440e+07 436 436 0.88553 2.08568 15IleHd1* 15IleHb None 1.74614e+07 437 437 0.88774 2.51753 15IleHd1* 17AspHba None 5.77689e+06 438 438 0.96921 2.08375 15IleHg2* 15IleHb None 3.39365e+07 439 439 0.91919 0.26438 6LeuHbb 6LeuHdb* None 3.80768e+06 440 440 0.95103 1.44338 30LeuHdb* 30LeuHba None 2.47311e+07 441 441 0.93218 1.43764 30LeuHda* 30LeuHba None 1.91373e+07 442 442 0.95139 1.92437 30LeuHdb* 30LeuHbb None 2.63319e+07 443 443 0.92872 1.92294 30LeuHda* 30LeuHbb None 3.05357e+07 444 444 0.95829 1.77002 30LeuHdb* 30LeuHg None 4.24723e+07 445 445 0.93353 1.76977 30LeuHda* 30LeuHg None 6.92372e+07 446 446 0.95666 2.29988 30LeuHda* 28GluHb2 None 1.32418e+07 447 447 0.95437 2.21625 30LeuHdb* 28GluHb3 None 1.46659e+07 448 448 0.92794 2.19073 6LeuHbb 11LysHd3 None 2.90915e+07 449 449 0.95221 3.24690 30LeuHdb* 43CysHbb None 2.48307e+07 450 450 0.92845 3.22098 30LeuHda* 43CysHbb None 1.54441e+07 451 451 0.92420 3.06285 6LeuHbb 6LeuHa None 9.31441e+06 452 452 0.95182 2.94995 30LeuHdb* 43CysHba None 2.08653e+07 453 453 0.92758 4.94416 30LeuHda* 30LeuHa None 6.07208e+07 454 454 0.95691 8.65689 30LeuHdb* 30LeuH None 3.47538e+06 455 455 0.93614 8.65848 30LeuHda* 30LeuH None 8.92625e+06 456 456 0.97386 9.01306 30LeuHdb* (44Thr/33Gly)H None 4.10036e+06 457 457 0.92913 9.01625 30LeuHda* (33Gly/44Thr)H None 5.41829e+06 458 458 0.92289 0.74140 6LeuHbb 6LeuHba None 6.69309e+07 459 459 0.92896 0.47041 6LeuHbb 6LeuHg None 1.17409e+07 460 460 1.11096 0.78720 44ThrHg2* 31LeuHda* None 3.19307e+07 461 461 1.11051 0.96750 44ThrHg2* 30LeuHdb* None 4.76817e+06 462 462 1.11600 1.62547 44ThrHg2* 31LeuHbb None 1.13650e+07 463 463 1.10940 1.42386 44ThrHg2* 31LeuHba None 7.17417e+06 464 464 1.10799 1.80691 44ThrHg2* 4GluHba None 3.95397e+06 465 465 1.14222 1.98097 9ThrHg2* 11LysHd3 None 4.21298e+06 466 466 1.14820 4.52940 9ThrHg2* 9ThrHa None 3.60875e+07 467 467 1.14599 4.48270 9ThrHg2* 9ThrHb None 6.25535e+07 468 468 1.11144 4.07325 44ThrHg2* 44ThrHb None 7.45593e+07 469 469 1.11244 5.10876 44ThrHg2* 45AsnHa None 4.29538e+06 470 470 1.11190 5.34967 44ThrHg2* 2ThrHa None 4.06812e+06 471 471 1.11172 5.27048 44ThrHg2* 44ThrHa None 2.23104e+07 472 472 1.14360 7.77378 9ThrHg2* 9ThrH None 1.11074e+07 473 473 1.11181 9.26091 44ThrHg2* 45AsnH None 1.78467e+07 474 474 1.11278 9.06895 44ThrHg2* 3CysH None 8.86676e+06 475 475 1.18601 9.00414 15IleHg1a 37AspH None 5.51600e+06 476 476 1.23545 4.40530 11LysHga 11LysHa None 4.85252e+06 477 477 1.24485 2.98403 46ArgHga 46ArgHdb None 5.04005e+06 478 478 1.25628 2.86091 46ArgHga 46ArgHda None 4.04156e+06 479 479 1.28640 2.08737 15IleHg1b 15IleHb None 4.58214e+06 480 480 1.19544 2.08150 15IleHg1a 15IleHb None 6.42114e+06 481 481 1.27189 1.91958 46ArgHga 46ArgHbb None 6.35086e+06 482 482 1.26570 1.79685 11LysHga 11LysHd3 None 6.47611e+06 483 483 1.25174 1.68476 46ArgHga 46ArgHba None 7.45115e+06 484 484 1.24287 1.61961 46ArgHga 46ArgHgb None 3.73840e+07 485 485 1.21354 1.56278 11LysHga 11LysHd2 None 1.56209e+07 486 486 1.23489 1.48922 11LysHga 11LysHba None 1.65792e+07 487 487 1.33909 1.57399 11LysHgb 11LysHd2 None 3.88142e+07 488 488 1.35935 1.85442 36ArgHga 36ArgHgb None 5.49641e+07 489 489 1.34703 1.79883 36ArgHga 36ArgHba None 2.16879e+07 490 490 1.33737 1.48986 11LysHgb 11LysHba None 3.09986e+07 491 491 1.30102 1.03822 46ArgHga 2ThrHg2* None 2.51792e+07 492 492 1.27350 0.98645 15IleHg1b 15IleHg2* None 7.97249e+06 493 493 1.18956 0.98347 15IleHg1a 15IleHg2* None 1.19586e+07 494 494 1.28378 0.90071 15IleHg1b 15IleHd1* None 2.50605e+07 495 495 1.19593 0.90191 15IleHg1a 15IleHd1* None 2.56169e+07 496 496 1.35049 2.18825 36ArgHga 36ArgHbb None 1.26149e+07 497 497 1.35374 9.26262 47CysHb2 45AsnH None 5.93792e+06 498 498 1.34251 5.11307 36ArgHga 36ArgHa None 3.89700e+06 499 499 1.35414 3.21576 36ArgHga 36ArgHda None 1.58476e+07 500 500 1.35161 2.74963 (36Arg/47Cys)(Hga/Hb2) (3Cys/20Cys)Hb* None 4.68098e+06 501 501 1.42183 1.12663 31LeuHba 44ThrHg2* None 4.58479e+06 502 502 1.42904 0.95963 30LeuHba 30LeuHdb* None 2.54215e+07 503 503 1.41612 0.87075 31LeuHba 31LeuHdb* None 1.82087e+07 504 504 1.41671 0.79139 31LeuHba 31LeuHda* None 2.13833e+07 505 505 1.41823 1.62543 30LeuHba 31LeuHbb None 1.00735e+08 506 506 1.43357 1.77100 31LeuHba 4GluHba None 1.72064e+07 507 507 1.42967 1.92400 31LeuHba 30LeuHbb None 7.72257e+07 508 508 1.42867 2.54651 30LeuHba 24CysHba None 5.48764e+06 509 509 1.41669 4.18468 30LeuHba 31LeuHa None 2.04551e+07 510 510 1.42443 4.94390 31LeuHba 30LeuHa None 1.19132e+07 511 511 1.42363 7.56922 30LeuHba (45Asn/32Ser)(Hd2b/H) None 7.53864e+06 512 512 1.42790 8.19658 31LeuHba 31LeuH None 1.73256e+07 513 513 1.42846 8.65406 30LeuHba 30LeuH None 1.08105e+07 514 514 1.63786 3.13550 34Arg(Hgb/Hba) 34ArgHda None 1.26860e+07 515 515 1.53558 3.13520 34ArgHga 34ArgHda None 8.26104e+06 516 516 1.52930 3.92110 25ArgHba 22LysHa None 5.68017e+06 517 517 1.47876 3.92519 (25Arg/22Lys)Hg* (21Asn/22Lys)Ha None 1.03670e+07 518 518 1.47953 4.27472 25ArgHg2 25ArgHa None 1.94825e+07 519 519 1.49754 4.17697 1LysHg* 1LysHa None 1.08632e+07 520 520 1.49100 4.40217 11LysHba 11LysHa None 7.36366e+06 521 521 1.47975 4.56523 25ArgHg* 32SerHa None 1.19537e+07 522 522 1.52639 4.27414 25ArgHba 25ArgHa None 1.02240e+07 523 523 1.53158 7.83586 25ArgHba 25ArgH None 8.82841e+06 524 524 1.48402 7.83746 25ArgHg2 25ArgH None 1.59475e+07 525 525 1.48754 8.91538 25ArgHg2 26AsnH None 5.90126e+06 526 526 1.53402 8.90397 25ArgHba 26AsnH None 7.64946e+06 527 527 1.54847 1.34729 11LysHd2 11LysHgb None 3.56965e+07 528 528 1.47303 1.34849 11LysHba 11LysHgb None 3.10875e+07 529 529 1.47901 1.25305 11LysHba 11LysHg* None 1.45154e+07 530 530 1.56484 1.24891 11LysHd2 11LysHga None 2.40703e+07 531 531 1.52964 1.65694 34ArgHga 34ArgHgb None 1.15088e+08 532 532 1.48256 1.60201 11LysHba 11LysHbb None 1.86092e+08 533 533 1.47920 1.80938 25ArgHg* 25ArgHbb None 5.73909e+07 534 534 1.49020 1.97881 (1Lys/22Lys)Hg* (1Lys/22Lys)Hb* None 4.68913e+07 535 535 1.50685 1.72042 (1Lys/22Lys)Hg* (22Lys/1Lys)Hd* None 8.76474e+07 536 536 1.53715 1.80951 25ArgHba 25ArgHbb None 5.70659e+07 537 537 1.53576 2.01324 34ArgHga 34ArgHbb None 2.59916e+07 538 538 1.52214 3.03405 25ArgHba 25ArgHda None 1.50217e+07 539 539 1.48220 3.03223 {*}Hg* {*}(He2/He3/Hbb/Hda) None 2.55469e+07 540 540 1.57080 2.96812 11LysHd2 11LysHe2 None 4.60559e+06 541 541 1.53508 2.91610 34ArgHga 42TrpHb2 None 9.25629e+06 542 542 1.52910 3.27101 34ArgHga 34ArgHdb None 1.88928e+07 543 543 1.63746 3.27493 34Arg(Hba/Hgb) 34ArgHdb None 1.33516e+07 544 544 1.48106 3.26505 25ArgHg* 25ArgHdb None 2.06126e+07 545 545 1.57402 4.40227 11LysHd2 11LysHa None 1.26007e+07 546 546 1.60774 0.86902 31LeuHbb 31LeuHdb* None 7.61494e+06 547 547 1.60977 0.78801 31LeuHbb 31LeuHda* None 2.47000e+07 548 548 1.61141 8.88238 22LysHgb 26AsnH None 1.28801e+07 549 549 1.60898 8.19589 31LeuHbb 31LeuH None 1.32671e+07 550 550 1.62556 7.70393 22LysHgb 22LysH None 3.81644e+06 551 551 1.60660 7.56771 31LeuHbb 32SerH None 7.97597e+06 552 552 1.60984 6.82715 22LysHgb 19AsnH None 2.41282e+06 553 553 1.61409 5.10835 46ArgHgb 45AsnHa None 2.96471e+06 554 554 1.60527 4.91244 31LeuHbb 30LeuHa None 7.99234e+06 555 555 1.61252 4.69065 46ArgHgb 46ArgHa None 5.37794e+06 556 556 1.60935 4.18636 31LeuHbb 31LeuHa None 7.26544e+06 557 557 1.60613 4.06299 31LeuHbb 44ThrHb None 4.47000e+06 558 558 1.61468 3.92495 (22Lys/31Leu)(Hgb/Hbb) (32Ser/22Lys)(Hba/Ha) None 3.82202e+06 559 559 1.62114 2.99770 46ArgHgb 46ArgHdb None 9.15759e+06 560 560 1.60141 2.95211 11LysHbb 11LysHe2 None 6.28739e+06 561 561 1.61008 2.85470 46ArgHgb 46ArgHda None 7.92842e+06 562 562 1.60067 2.76651 11LysHbb (10Phe/5Asn)Hbb None 4.98012e+06 563 563 1.63949 2.01787 34ArgHba 34ArgHbb None 6.20097e+07 564 564 1.61551 1.90702 46ArgHgb 46ArgHbb None 3.26671e+07 565 565 1.62850 1.74839 22LysHgb 22LysHd* None 1.26036e+08 566 566 1.60699 2.04814 22LysHgb 22LysHb* None 5.16866e+07 567 567 1.61259 1.98985 31LeuHbb 1LysHb* None 4.09886e+07 568 568 1.60763 1.42701 31LeuHbb 31LeuHba None 1.05203e+08 569 569 1.57628 1.49488 11LysHd2 11LysHba None 2.04266e+08 570 570 1.61712 1.48245 (31Leu/22Lys)(Hbb/Hgb) (22Lys/31Leu)(Hga/Hba) None 1.01786e+08 571 571 1.60963 1.25747 46ArgHgb 46ArgHga None 4.36942e+07 572 572 1.61056 1.12454 31LeuHbb 44ThrHg2* None 8.19109e+06 573 573 1.65220 8.88836 34Arg(Hba/Hgb) 34ArgH None 7.92223e+06 574 574 1.64325 0.46957 (41Cys/34Arg)Hba 6LeuHg None 5.50120e+06 575 575 1.69227 0.87038 31LeuHg 31LeuHdb* None 2.93125e+07 576 576 1.69228 0.78816 31LeuHg 31LeuHda* None 2.96937e+07 577 577 1.67115 1.25957 46ArgHba 46ArgHga None 1.95570e+07 578 578 1.70202 1.51075 22LysHd* 22LysHga None 7.90210e+07 579 579 1.70707 1.42748 31LeuHg 31LeuHba None 1.59258e+07 580 580 1.70063 2.04799 1LysHd3 4GluHbb None 1.93549e+07 581 581 1.71913 1.98760 22LysHd* 22LysHb2 None 3.67492e+07 582 582 1.68193 1.90677 46ArgHba 46ArgHbb None 4.54412e+07 583 583 1.70645 3.00300 22LysHd* (22Lys/19Asn)(He*/Hbb) None 2.28270e+07 584 584 1.68609 2.85424 46ArgHba 46ArgHda None 5.51929e+06 585 585 1.66658 4.68995 46ArgHba 46ArgHa None 7.54382e+06 586 586 1.70170 4.18126 31LeuHg 31LeuHa None 7.29613e+06 587 587 1.70173 5.11038 46ArgHba 45AsnHa None 1.78851e+07 588 588 1.69998 8.19627 31LeuHg 31LeuH None 1.62772e+07 589 589 1.70721 9.02022 31LeuHg 44ThrH None 4.36346e+06 590 590 1.74059 0.94927 30LeuHg 30LeuHd* None 5.34501e+07 591 591 1.74730 1.44359 30LeuHg 30LeuHba None 2.30850e+07 592 592 1.73836 1.63607 30LeuHg (31Leu/34Arg)(Hbb/Hgb) None 8.36307e+07 593 593 1.75225 1.91962 30LeuHg 30LeuHbb None 4.23475e+07 594 594 1.74919 2.29836 30LeuHg 28GluHb2 None 1.23889e+07 595 595 1.74085 3.01570 30LeuHg 25ArgHda None 2.46317e+07 596 596 1.75038 4.94532 30LeuHg 30LeuHa None 8.92070e+06 597 597 1.74654 8.19822 30LeuHg 31LeuH None 5.31938e+06 598 598 1.75341 8.66224 30LeuHg 30LeuH None 7.24505e+06 599 599 1.79499 1.12437 4GluHba 44ThrHg2* None 2.98116e+06 600 600 1.78862 1.04578 4GluHba 2ThrHg2* None 9.95454e+06 601 601 1.78226 0.79459 4GluHba 31LeuHda* None 5.54769e+06 602 602 1.78206 1.27075 36ArgHba 15IleHg1b None 5.43178e+06 603 603 1.79292 1.37170 36ArgHba 36ArgHga None 3.17886e+07 604 604 1.79520 1.54651 25ArgHbb 25ArgHba None 6.99354e+07 605 605 1.79859 1.50200 25ArgHbb 25ArgHba None 4.11665e+07 606 606 1.79637 2.07113 4GluHba 4GluHbb None 6.09409e+07 607 607 1.78271 2.18899 36ArgHba 36ArgHbb None 7.92371e+07 608 608 1.78018 2.28553 30LeuHg 28GluHb2 None 1.34309e+07 609 609 1.79436 3.03385 25ArgHbb 25ArgHda None 7.07252e+06 610 610 1.78816 3.25193 25ArgHbb 25ArgHdb None 1.34393e+07 611 611 1.78678 3.20806 36Arg(Hba/Hgb) 36ArgHda None 1.07089e+07 612 612 1.79646 4.27518 25ArgHbb 25ArgHa None 1.39135e+07 613 613 1.79858 4.61629 36ArgHba 37AspHa None 6.52980e+06 614 614 1.78321 5.11098 36ArgHba 36ArgHa None 1.86841e+07 615 615 1.80250 5.53100 4GluHba 4GluHa None 9.84303e+06 616 616 1.79713 7.83189 25ArgHbb 25ArgH None 7.27024e+06 617 617 1.79697 8.74405 4GluHba 4GluH None 7.03030e+06 618 618 1.79270 8.91020 25ArgHbb 26AsnH None 5.34856e+06 619 619 1.78053 9.01811 4GluHba 44ThrH None 7.61522e+06 620 620 1.78386 9.26045 4GluHba 45AsnH None 5.98984e+06 621 621 1.83655 9.26232 4GluHba 45AsnH None 1.02636e+07 622 622 1.91223 5.11169 30LeuHbb 45AsnHa None 4.55383e+06 623 623 1.91009 4.94230 30LeuHbb 30LeuHa None 1.88127e+07 624 624 1.89223 4.68959 (13Pro/46Arg)Hb* (13Pro/46Arg)Ha None 1.10496e+07 625 625 1.83993 2.74557 36ArgHgb 20CysHbb None 5.72138e+06 626 626 1.89306 2.99768 46ArgHbb 46ArgHdb None 5.96867e+06 627 627 1.89660 2.85702 46ArgHbb 46ArgHda None 9.80406e+06 628 628 1.90375 2.33331 13ProHba 13ProHbb None 2.56388e+07 629 629 1.84155 1.36728 36ArgHgb 36ArgHga None 5.23107e+07 630 630 1.90858 8.65343 30LeuHbb 30LeuH None 5.10924e+06 631 631 1.91295 8.19615 30LeuHbb 31LeuH None 2.76535e+07 632 632 1.90472 2.08659 13ProHba 13ProHgb None 2.89076e+07 633 633 1.89205 1.69249 46ArgHbb 46ArgHba None 5.65879e+07 634 634 1.90240 1.75895 30LeuHbb 30LeuHg None 5.69110e+07 635 635 1.88629 1.63269 46ArgHbb 46ArgHgb None 2.20319e+07 636 636 1.91368 1.44587 30LeuHbb 30LeuHba None 6.17678e+07 637 637 1.90000 1.27098 46ArgHbb 46ArgHga None 9.20951e+06 638 638 1.90390 1.04748 46ArgHbb 2ThrHg2* None 8.61986e+06 639 639 1.91157 0.95208 30LeuHbb 30LeuHdb* None 3.48360e+07 640 640 1.89400 0.89054 30LeuHbb 31LeuHdb* None 7.45952e+06 641 641 1.90909 0.78513 30LeuHbb 31LeuHda* None 3.22873e+07 642 642 1.99672 0.96810 28GluHg* 30LeuHdb* None 5.20014e+06 643 643 1.94410 2.37593 16ProHga 16ProHbb None 1.76514e+07 644 644 1.95148 4.17140 1LysHb2 1LysHa None 7.62945e+06 645 645 1.98949 1.50089 1LysHb* 1LysHg2 None 3.41033e+07 646 646 1.98060 1.73421 1LysHb* 1LysHd* None 3.61766e+07 647 647 2.00591 2.21742 28GluHg* 28GluHb3 None 2.21086e+07 648 648 2.03714 2.37842 16ProHba 16ProHbb None 5.05480e+07 649 649 2.00186 2.30065 (13Pro/28Glu)Hg* (28Glu/13Pro)Hb* None 2.56074e+07 650 650 2.06696 2.28567 (13Pro/4Glu)(Hgb/Hbb) (4Glu/13Pro)(Hgb/Hbb) None 3.04062e+07 651 651 1.98124 3.01011 1LysHb* 1LysHe* None 4.95292e+06 652 652 1.97560 3.92463 22LysHb* 22LysHa None 2.19413e+07 653 653 2.01065 3.57656 13ProHga 13ProHd* None 4.17234e+06 654 654 1.99511 4.27434 28GluHg2 28GluHa None 1.38290e+07 655 655 1.98111 4.17434 1LysHb3 1LysHa None 9.49145e+06 656 656 2.01192 4.10197 (13Pro/28Glu)Hg* (24Cys/12Gly)Ha None 4.39015e+06 657 657 1.97566 4.72302 16ProHga 17AspHa None 1.65480e+07 658 658 2.00084 6.98732 (22Lys/28Glu)(Hb2/Hg*) (26Asn/28Glu)(Hd2a/H) None 6.95833e+06 659 659 1.97706 7.70355 22LysHb3 22LysH None 1.58308e+07 660 660 1.97849 8.73636 1LysHb* 4GluH None 6.04263e+06 661 661 1.98082 8.44705 1LysHb2 2ThrH None 6.85488e+06 662 662 2.00536 8.21919 (13Pro/11Lys)(Hga/Hd3) 12GlyH None 3.48675e+06 663 663 2.00620 1.54361 34ArgHbb 34ArgHga None 2.28852e+07 664 664 2.00195 1.65062 34ArgHbb 34ArgHba None 8.59452e+07 665 665 2.03805 2.75088 34ArgHbb 20CysHbb None 5.75871e+06 666 666 2.03063 4.91230 16ProHba 16ProHa None 5.50728e+06 667 667 2.03223 4.97974 16ProHba 16ProHa None 1.05096e+07 668 668 2.02402 6.82054 {*}Hb 19AsnH None 4.98416e+06 669 669 2.02797 8.88104 34ArgHbb 34ArgH None 1.28311e+07 670 670 2.07066 1.28817 15IleHb 15IleHg1b None 1.02026e+07 671 671 2.06824 1.20065 15IleHb 15IleHg1a None 8.56619e+06 672 672 2.07375 0.98269 15IleHb 15IleHg2* None 3.74820e+07 673 673 2.07060 0.90124 15IleHb 15IleHd1* None 1.97923e+07 674 674 2.28553 0.96546 28GluHb2 30LeuHd* None 1.21274e+07 675 675 2.18833 0.94724 (4Glu/36Arg)(Hga/Hbb) (15Ile/30Leu)(Hg2*/Hdb*) None 2.08297e+07 676 676 2.18327 1.36409 36ArgHbb 36ArgHga None 1.19454e+07 677 677 2.04694 1.72102 4GluHbb 1LysHd3 None 1.70340e+07 678 678 2.06129 1.81074 4GluHbb 4GluHba None 6.53540e+07 679 679 2.06603 2.51608 15IleHb 17AspHba None 6.46730e+06 680 680 2.06706 2.20341 4GluHbb 4GluHga None 7.18149e+07 681 681 2.06897 3.62571 13ProHgb 13ProHdb None 3.22815e+06 682 682 2.06619 5.53014 4GluHbb 4GluHa None 7.86387e+06 683 683 2.06935 6.95435 4GluHbb 42TrpHe3 None 6.23221e+06 684 684 2.06496 8.74171 4GluHbb 4GluH None 7.41323e+06 685 685 2.07533 8.99863 4GluHbb 5AsnH None 4.55355e+06 686 686 2.17828 9.02575 36ArgHbb 37AspH None 1.28628e+07 687 687 2.17740 8.96298 4GluHga 5AsnH None 4.04094e+06 688 688 2.19226 8.74048 4GluHga 4GluH None 2.77804e+06 689 689 2.19245 7.96384 36ArgHbb 39PheH None 1.33321e+07 690 690 2.17924 1.79800 36ArgHbb 36ArgHba None 9.45671e+07 691 691 2.19708 2.01252 4GluHga 34ArgHbb None 2.61427e+07 692 692 2.19296 2.07672 4GluHga 4GluHbb None 7.19386e+07 693 693 2.20316 2.28998 4GluHga 4GluHgb None 2.06116e+08 694 694 2.19040 2.47136 4GluHga 5AsnHba None 7.79250e+07 695 695 2.19264 2.86654 36ArgHbb 39PheHbb None 6.64793e+06 696 696 2.17742 3.20867 36ArgHbb 36ArgHda None 8.22250e+06 697 697 2.20801 4.27768 28GluHb3 28GluHa None 1.65784e+07 698 698 2.20332 4.10061 4GluHga 32SerHbb None 9.52830e+06 699 699 2.19927 4.69042 36ArgHbb 40ArgHa None 6.07412e+06 700 700 2.17945 5.11048 36ArgHbb 36ArgHa None 1.91021e+07 701 701 2.19367 5.53108 4GluHga 4GluHa None 1.07621e+07 702 702 2.19725 6.98287 4GluHga 42TrpHe3 None 1.78950e+07 703 703 2.27434 6.95750 4GluHgb 5AsnHd2a None 1.79095e+07 704 704 2.26757 5.53199 4GluHgb 4GluHa None 8.86225e+06 705 705 2.27334 2.87335 4GluHgb 42TrpHb3 None 8.30794e+06 706 706 2.25897 2.86346 4GluHgb 42TrpHb3 None 6.48714e+06 707 707 2.27445 2.21124 4GluHgb 4GluHga None 2.02816e+08 708 708 2.28797 2.01236 (13Pro/28Glu)Hb* (28Glu/13Pro)Hg* None 1.48729e+07 709 709 2.28288 1.80945 13ProHbb 37AspHb* None 1.39538e+07 710 710 2.27828 1.75441 28GluHb2 30LeuHg None 1.45668e+07 711 711 2.26666 2.07738 4GluHgb 4GluHbb None 1.97385e+07 712 712 2.32093 1.91216 13ProHbb 13ProHba None 2.39694e+07 713 713 2.32151 4.71748 13ProHbb 13ProHa None 1.63940e+06 714 714 2.28284 4.27436 28GluHb2 28GluHa None 1.40630e+07 715 715 2.28199 4.09841 28GluHb* 24CysHa None 6.98983e+06 716 716 2.36899 2.05238 16ProHbb 16ProHba None 4.06921e+07 717 717 2.46056 2.20361 5AsnHba 4GluHga None 8.02361e+07 718 718 2.46655 8.97348 5AsnHba 5AsnH None 6.49423e+06 719 719 2.45875 8.13214 5AsnHba 6LeuH None 5.72239e+06 720 720 2.46044 7.96637 27AsnHbb 27AsnH None 6.87760e+06 721 721 2.42851 7.81724 10PheHba 10PheH None 2.98132e+06 722 722 2.45159 7.72300 5AsnHba 5AsnHd2b None 4.62716e+06 723 723 2.47776 6.93271 5AsnHba 5AsnHd2a None 3.29043e+06 724 724 2.45955 6.98975 5AsnHba 42TrpHe3 None 5.20325e+06 725 725 2.40980 6.82107 10PheHba 10PheHd* None 7.53279e+06 726 726 2.47656 5.26610 5AsnHba 5AsnHa None 8.14680e+06 727 727 2.46379 4.69108 27AsnHbb 27AsnHa None 1.52116e+07 728 728 2.46292 2.74818 5AsnHba 5AsnHbb None 9.84682e+07 729 729 2.49895 2.08742 17AspHba 15IleHb None 5.95871e+06 730 730 2.54557 9.17851 24CysHb* 24CysH None 6.53908e+06 731 731 2.54333 7.83620 24CysHba 25ArgH None 6.38164e+06 732 732 2.53147 4.72137 17AspHba 17AspHa None 1.52921e+06 733 733 2.54694 4.10089 24CysHba 24CysHa None 1.66041e+07 734 734 2.54472 4.01234 24CysHba 21AsnHa None 5.35631e+06 735 735 2.54523 3.24959 24CysHba 25ArgHdb None 8.18526e+06 736 736 2.53205 3.10040 24CysHb* (34Arg/21Asn)(Hda/Hbb) None 3.69252e+07 737 737 2.50124 3.09811 5AsnHba 6LeuHa None 3.33551e+07 738 738 2.53881 2.61454 24CysHba 24CysHbb None 1.20766e+08 739 739 2.54761 1.44861 24CysHba 30LeuHba None 6.65885e+06 740 740 2.55015 0.96220 24CysHba 30LeuHdb* None 3.80214e+06 741 741 2.61269 1.45458 24CysHbb 30LeuHba None 4.37181e+06 742 742 2.66067 2.76931 20CysHba 20CysHbb None 4.18773e+07 743 743 2.62039 2.94182 24CysHbb 43CysHba None 3.03508e+07 744 744 2.62138 3.03760 24CysHbb 25ArgHda None 7.10500e+07 745 745 2.65719 3.04033 19AsnHba 19AsnHbb None 5.58657e+07 746 746 2.69098 2.89290 39PheHba 39PheHbb None 1.63253e+08 747 747 2.71782 2.85637 26AsnHba 26AsnHbb None 1.95811e+08 748 748 2.74184 2.92290 (3Cys/45Asn)Hba (45Asn/3Cys)Hbb None 1.27896e+08 749 749 2.61626 3.24925 24CysHbb 43CysHbb None 5.05026e+06 750 750 2.61662 4.06496 38AspHb* 38AspHa None 3.37681e+07 751 751 2.61983 4.01216 (20Cys/24Cys)Hb* 21AsnHa None 9.45754e+06 752 752 2.65206 4.31562 19AsnHba 19AsnHa None 1.93228e+07 753 753 2.62495 4.31587 38AspHb* 18GlyHab None 2.09861e+07 754 754 2.61592 7.83617 24CysHbb 25ArgH None 4.15515e+06 755 755 2.65154 7.96364 38AspHb2 39PheH None 4.03444e+06 756 756 2.61705 7.96000 38AspHb* 39PheH None 7.23695e+06 757 757 2.61821 8.28361 38AspHb3 38AspH None 1.33771e+07 758 758 2.61376 8.77751 20CysHba 36ArgH None 4.25975e+06 759 759 2.61319 9.17812 24CysHbb 24CysH None 7.68906e+06 760 760 2.68610 9.01912 39PheHba 37AspH None 2.15845e+07 761 761 2.68473 8.43379 39PheHba 40ArgH None 5.08967e+06 762 762 2.69240 7.62974 26AsnHba 26AsnHd2b None 1.57872e+07 763 763 2.70358 7.02055 26AsnHba 26AsnHd2a None 4.10703e+06 764 764 2.68906 5.08171 39PheHba 39PheHa None 1.54178e+07 765 765 2.69609 4.46531 26AsnHba 26AsnHa None 1.28967e+07 766 766 2.61656 2.55310 24CysHbb 24CysHba None 1.10692e+08 767 767 2.74368 1.36226 3CysHba 47CysHb2 None 6.16203e+06 768 768 2.75519 1.61540 20CysHbb 34ArgHba None 4.97881e+06 769 769 2.73712 1.85792 20CysHbb 36ArgHgb None 7.98653e+06 770 770 2.74863 2.04159 {*}Hb* {*}(Hg2/Hd3/Hbb) None 4.79662e+06 771 771 2.74359 2.47826 5AsnHbb 5AsnHba None 8.57732e+07 772 772 2.72715 2.47460 26AsnHba 27AsnHbb None 1.01732e+08 773 773 2.75677 2.66531 20CysHbb 20CysHba None 5.32133e+07 774 774 2.79587 3.15254 21AsnHba 21AsnHbb None 4.93911e+07 775 775 2.76773 3.36125 20CysHbb 36ArgHdb None 3.65464e+06 776 776 2.73723 3.22153 45AsnHba 43CysHbb None 1.19309e+07 777 777 2.73493 3.33078 20CysHbb 36ArgHdb None 4.57551e+06 778 778 2.76067 3.52914 20CysHbb 35CysHbb None 3.20482e+06 779 779 2.72053 4.46573 26AsnHba 26AsnHa None 2.22388e+07 780 780 2.74235 5.10221 3CysHba 3CysHa None 1.27094e+07 781 781 2.74591 5.26928 5AsnHbb 5AsnHa None 1.60042e+07 782 782 2.72688 5.26533 45AsnHba 44ThrHa None 1.87589e+07 783 783 2.74186 6.81999 20CysHbb 19AsnH None 1.20925e+07 784 784 2.74330 6.93696 5AsnHbb 5AsnHd2a None 5.97441e+06 785 785 2.71516 7.07758 45AsnHba 45AsnHd2a None 3.41550e+06 786 786 2.71727 7.59116 (45Asn/26Asn)Hba (26Asn/45Asn)Hd2b None 1.03646e+07 787 787 2.74836 7.73107 5AsnHbb 5AsnHd2b None 5.99572e+06 788 788 2.73728 7.81341 26AsnHba 27AsnHd2b None 5.41951e+06 789 789 2.71784 7.97662 26AsnHba 27AsnH None 5.75361e+06 790 790 2.74810 8.13570 5AsnHbb 6LeuH None 1.07693e+07 791 791 2.72659 8.13422 5AsnHbb 6LeuH None 1.15606e+07 792 792 2.73769 9.07146 3CysHba 3CysH None 1.32826e+07 793 793 2.71772 8.90780 26AsnHba 26AsnH None 1.11809e+07 794 794 2.79306 4.01463 21AsnHba 21AsnHa None 4.78471e+06 795 795 2.74842 4.33303 20CysHbb 20CysHa None 5.36325e+06 796 796 2.79280 6.79252 10PheHbb 10PheHd* None 6.40620e+06 797 797 2.79359 7.78088 21AsnHba 21AsnHd2b None 1.27908e+07 798 798 2.79304 7.71055 21AsnHba 22LysH None 7.55751e+06 799 799 2.86932 9.02022 42TrpHb3 42TrpH None 1.70877e+07 800 800 2.84167 8.90881 26AsnHbb 26AsnH None 1.14582e+07 801 801 2.86908 8.42994 39PheHbb 40ArgH None 7.35619e+06 802 802 2.84093 7.97901 26AsnHbb 27AsnH None 3.78645e+06 803 803 2.87255 7.63091 26AsnHbb 26AsnHd2b None 9.13904e+06 804 804 2.84251 7.58874 26AsnHbb 26AsnHd2b None 9.68664e+06 805 805 2.84873 6.95596 42TrpHb3 42TrpHe3 None 1.67912e+07 806 806 2.87014 5.08537 39PheHbb 39PheHa None 2.22235e+07 807 807 2.83381 4.46657 26AsnHbb 26AsnHa None 1.41898e+07 808 808 2.84614 2.98838 46ArgHda 46ArgHdb None 1.13070e+08 809 809 2.83753 2.72180 46ArgHda 45AsnHba None 1.71122e+08 810 810 2.87434 2.69244 26AsnHbb 26AsnHba None 1.56551e+08 811 811 2.86100 2.28444 26AsnHbb 27AsnHba None 1.06006e+07 812 812 2.85732 2.21194 (42Trp/39Phe)Hb* (36Arg/4Glu)(Hbb/Hga) None 6.51981e+06 813 813 2.83948 1.62517 46ArgHda 46ArgHgb None 1.11777e+07 814 814 2.84722 1.90320 46ArgHda 46ArgHbb None 1.11705e+07 815 815 2.84340 1.70179 46ArgHda 46ArgHba None 8.34186e+06 816 816 2.85739 1.26783 46ArgHda 46ArgHga None 7.05963e+06 817 817 2.83651 1.24938 46ArgHda 46ArgHga None 5.46321e+06 818 818 2.93456 5.95965 43CysHba 43CysHa None 6.82615e+06 819 819 2.92191 5.09785 45AsnHbb 45AsnHa None 1.54606e+07 820 820 2.89839 5.09540 3CysHbb 3CysHa None 3.10463e+07 821 821 2.86714 7.02193 26AsnHbb 26AsnHd2a None 3.70968e+06 822 822 2.89155 8.43329 39PheHbb 40ArgH None 5.72950e+06 823 823 2.90155 9.07179 3CysHbb 3CysH None 7.58046e+06 824 824 2.90253 8.74093 3CysHbb 4GluH None 7.74538e+06 825 825 2.93290 9.15522 43CysHba 24CysH None 8.70262e+06 826 826 2.93043 9.02877 43CysHba 44ThrH None 9.03601e+06 827 827 2.93405 0.96533 43CysHba 30LeuHdb* None 2.01538e+07 828 828 3.25690 0.07587 34ArgHdb 6LeuHda* None 4.02619e+06 829 829 3.25575 0.46729 34ArgHdb 6LeuHg None 3.05213e+06 830 830 3.13039 0.46430 34ArgHda 6LeuHg None 4.49307e+06 831 831 3.05597 0.25970 6LeuHa 6LeuHdb* None 9.30693e+06 832 832 3.12889 1.64993 34ArgHda 34ArgHgb None 1.23949e+07 833 833 3.12817 1.54201 34ArgHda 34ArgHga None 1.10428e+07 834 834 2.90187 1.85730 39PheHbb 36ArgHgb None 5.28199e+06 835 835 2.89581 1.54372 11LysHe2 11LysHd2 None 9.86608e+06 836 836 2.91520 1.25179 11LysHe2 11LysHga None 6.18069e+06 837 837 2.90306 1.36687 39PheHbb 36ArgHga None 4.47477e+06 838 838 2.90107 2.74797 39PheHbb 20CysHbb None 1.16647e+08 839 839 2.93389 3.24614 43CysHba 43CysHbb None 6.18982e+07 840 840 2.93045 2.28802 11LysHe2 11LysHd3 None 4.55026e+06 841 841 2.91428 2.20657 42TrpHb2 4GluHga None 3.99120e+06 842 842 2.93970 1.58874 11LysHe2 11LysHbb None 1.68614e+07 843 843 2.93539 2.64270 43CysHba 24CysHbb None 2.96080e+07 844 844 2.92474 6.95384 42TrpHb2 42TrpHe3 None 1.20126e+07 845 845 2.93170 7.42546 42TrpHb2 42TrpHd1 None 4.79990e+06 846 846 3.01062 4.31626 22LysHe2 19AsnHa None 1.41760e+07 847 847 2.98278 3.36853 14CysHba 14CysHbb None 3.72650e+07 848 848 3.00995 2.65304 22LysHe2 19AsnHba None 6.32221e+07 849 849 2.99343 1.98908 46ArgHdb 46ArgHbb None 3.78118e+06 850 850 2.98638 1.62904 (46Arg/22Lys)(Hdb/He2) (22Lys/46Arg)Hgb None 1.26878e+07 851 851 3.03221 1.80472 25ArgHda 25ArgHbb None 6.86291e+06 852 852 3.00040 1.74326 22LysHe* 22LysHd* None 3.73653e+07 853 853 3.03085 1.74522 19AsnHbb 22LysHd3 None 9.61535e+06 854 854 2.98512 1.70649 46ArgHdb 46ArgHba None 2.71926e+07 855 855 3.01249 1.50641 (22Lys/1Lys)He* (22Lys/1Lys)Hg* None 2.69406e+07 856 856 3.03117 1.53869 25ArgHda 25ArgHba None 1.25654e+07 857 857 3.04189 1.48512 19AsnHbb 22LysHga None 1.57423e+07 858 858 2.97910 1.25831 46ArgHdb 46ArgHga None 8.76460e+06 859 859 2.97137 3.16029 {*}(Hba/Hda/Hb2/He2) (34Arg/21Asn)(Hda/Hbb) None 4.80007e+06 860 860 3.05406 0.07616 6LeuHa 6LeuHda* None 2.24261e+07 861 861 3.05565 0.46907 6LeuHa 6LeuHg None 8.86989e+06 862 862 3.05636 0.74651 6LeuHa 6LeuHba None 1.11317e+07 863 863 3.05240 0.94038 6LeuHa 6LeuHbb None 1.48568e+07 864 864 3.07252 2.52953 17AspHbb 17AspHba None 3.78639e+07 865 865 3.03687 2.65260 19AsnHbb 19AsnHba None 7.32582e+07 866 866 3.04319 3.26150 25ArgHda 25ArgHdb None 7.96499e+07 867 867 3.03672 4.31760 19AsnHbb 19AsnHa None 1.65546e+07 868 868 3.05353 8.65206 6LeuHa 7SerH None 3.04246e+07 869 869 3.05310 8.13772 6LeuHa 6LeuH None 9.85265e+06 870 870 3.10229 2.53110 17AspHbb 17AspHba None 3.49359e+07 871 871 3.11978 2.01496 34ArgHda 34ArgHbb None 5.20423e+06 872 872 3.14641 2.80994 21AsnHbb 21AsnHba None 5.56989e+07 873 873 3.21021 2.74856 36ArgHda 20CysHbb None 1.32530e+07 874 874 3.12624 3.27925 34ArgHda 34ArgHdb None 1.10550e+08 875 875 3.14129 4.01360 21AsnHbb 21AsnHa None 8.61493e+06 876 876 3.12982 8.42691 21AsnHbb 21AsnH None 8.04627e+06 877 877 3.20748 1.36750 36ArgHda 36ArgHga None 2.16732e+07 878 878 3.19747 2.18634 36ArgHda 36ArgHbb None 1.20656e+07 879 879 3.22774 2.94656 43CysHbb 43CysHba None 6.86375e+07 880 880 3.21012 3.32931 36ArgHda 36ArgHdb None 1.68408e+08 881 881 3.20946 4.66463 36ArgHda 40ArgHa None 3.26720e+07 882 882 3.24208 5.95651 43CysHbb 43CysHa None 1.36149e+07 883 883 3.21288 8.43342 36ArgHda 40ArgH None 6.18289e+06 884 884 3.22776 9.04049 43CysHbb (33Gly/44Thr)H None 9.07189e+06 885 885 3.31401 8.43097 36ArgHdb 40ArgH None 6.07141e+06 886 886 3.34957 7.72588 36ArgHdb 19AsnHd2b None 1.78507e+07 887 887 3.33724 6.81934 36ArgHdb 19AsnH None 4.33236e+06 888 888 3.39345 4.65283 35CysHba 40ArgHa None 1.66959e+07 889 889 3.37252 4.64846 29HisHb2 29HisHa None 1.12056e+07 890 890 3.31306 4.66464 36ArgHdb 40ArgHa None 3.41430e+07 891 891 3.31360 3.21961 36ArgHdb 36ArgHda None 1.67175e+08 892 892 3.25811 3.13487 34ArgHdb 34ArgHda None 1.25488e+08 893 893 3.25014 2.95122 25ArgHdb 43CysHba None 5.15286e+07 894 894 3.31877 2.92189 36ArgHdb 39PheHbb None 4.54444e+06 895 895 3.31400 2.74959 36ArgHdb 20CysHbb None 8.08597e+06 896 896 3.24930 2.54944 43CysHbb 24CysHb* None 5.35147e+06 897 897 3.22387 2.54928 43CysHbb 24CysHb* None 7.63708e+06 898 898 3.22653 2.18783 36ArgHda 36ArgHbb None 1.06253e+07 899 899 3.21991 1.85210 36ArgHda 36ArgHgb None 1.25164e+07 900 900 3.21901 1.79466 36ArgHda 36ArgHba None 1.46158e+07 901 901 3.25988 1.65503 34ArgHdb 34Arg(Hba/Hgb) None 1.48002e+07 902 902 3.25791 1.54242 34ArgHdb 34ArgHga None 2.06649e+07 903 903 3.24643 1.49229 25ArgHdb 25ArgHg* None 2.17426e+07 904 904 3.22982 1.44290 43CysHbb 30LeuHba None 6.92681e+06 905 905 3.31090 1.37181 36ArgHdb 36ArgHga None 5.15320e+06 906 906 3.24550 0.96678 25ArgHdb 30LeuHd* None 2.60277e+07 907 907 3.22868 0.96267 43CysHbb 30LeuHda* None 2.90079e+07 908 908 3.36646 2.99235 14CysHbb 14CysHba None 3.62189e+07 909 909 3.39077 3.52707 35CysHba 35CysHbb None 1.17259e+08 910 910 3.51918 2.04194 (7Ser/29His)Hb* (28Glu/34Arg)(Hg2/Hbb) None 7.68726e+06 911 911 3.52251 2.75785 35CysHbb 20CysHbb None 5.57847e+06 912 912 3.50833 3.39595 35CysHbb 35CysHba None 1.17632e+08 913 913 3.46905 3.59113 29HisHb2 29HisHb3 None 3.24046e+07 914 914 3.57969 3.47889 29HisHb2 29HisHb3 None 3.66187e+07 915 915 3.56433 4.11955 13ProHda 12GlyHab None 1.18999e+07 916 916 3.46982 4.28680 29HisHb2 (25Arg/28Glu)Ha None 1.41955e+07 917 917 3.46522 6.82035 10PheHa 10PheHd* None 1.06292e+07 918 918 3.47260 8.73529 29HisHb3 None None 1.03834e+07 919 919 3.46728 9.17798 29HisHb3 24CysH None 5.89079e+06 920 920 3.56859 2.33557 13ProHda 13ProHbb None 5.07732e+06 921 921 3.57030 2.08121 13ProHda 13ProHgb None 1.03331e+07 922 922 3.56635 2.02495 13ProHda 13ProHga None 1.71451e+07 923 923 3.56353 1.92406 13ProHda 13ProHba None 5.86413e+06 924 924 3.51883 4.11339 7SerHba 7SerHbb None 4.75740e+07 925 925 3.50745 4.64843 7SerHba (40Arg/37Asp)Ha None 1.01991e+07 926 926 3.51755 8.65208 7SerHba 7SerH None 1.44275e+07 927 927 3.56159 3.86329 13ProHda 12GlyHaa None 8.59155e+06 928 928 3.57850 8.73012 29HisHb2 None None 6.03563e+06 929 929 3.57810 6.81893 29HisHb2 19AsnH None 6.36890e+06 930 930 3.62261 2.08161 13ProHdb 13ProHgb None 1.43628e+07 931 931 3.62226 2.02286 13ProHdb 13ProHga None 1.23676e+07 932 932 3.61637 4.11425 13ProHdb 12GlyHab None 8.83245e+06 933 933 3.62202 3.81595 13ProHdb 12GlyHaa None 4.04385e+07 934 934 3.67770 2.08025 16ProHda 15IleHb None 1.78580e+07 935 935 3.67144 1.94867 16ProHda 16ProHga None 3.98561e+06 936 936 3.73467 2.07586 16ProHdb 15IleHb None 1.60361e+07 937 937 3.74111 2.03556 16ProHdb (16Pro/15Ile)(Hgb/Hb) None 1.14307e+07 938 938 3.74178 1.95382 16ProHdb 16ProHga None 8.70262e+06 939 939 3.85939 3.57576 12GlyHaa 13ProHda None 6.69281e+06 940 940 3.86994 4.10254 12GlyHaa 12GlyHab None 6.05458e+07 941 941 3.86334 8.24070 12GlyHaa 12GlyH None 1.05364e+07 942 942 3.91355 1.99074 22LysHa 22LysHb* None 3.38084e+07 943 943 3.91235 1.63326 22LysHa 22LysHgb None 8.25659e+06 944 944 3.91177 1.54783 22LysHa 25ArgHba None 8.38910e+06 945 945 3.91179 1.48373 22LysHa (25Arg/22Lys)Hg* None 1.34634e+07 946 946 3.89206 4.09134 8GlyHaa 8GlyHab None 8.93417e+07 947 947 3.91291 7.70472 22LysHa 22LysH None 8.47223e+06 948 948 3.99031 9.05901 32SerHba 33GlyH None 2.58109e+07 949 949 3.98467 4.56561 32SerHba 32SerHa None 2.46280e+07 950 950 3.98328 4.12125 32SerHba 32SerHbb None 1.06102e+08 951 951 4.00310 2.81098 21AsnHa 21AsnHba None 9.06308e+06 952 952 4.00157 3.15635 21AsnHa 21AsnHbb None 1.31598e+07 953 953 4.07068 9.06787 33GlyHaa 33GlyH None 2.79365e+07 954 954 4.04342 9.03865 44ThrHb 44ThrH None 2.10548e+07 955 955 4.04406 7.56583 44ThrHb 32SerH None 5.82301e+06 956 956 4.05592 5.27427 44ThrHb 44ThrHa None 1.17554e+07 957 957 4.04532 1.62452 44ThrHb 31LeuHbb None 7.87122e+06 958 958 4.05743 1.12595 44ThrHb 44ThrHg2* None 7.07397e+07 959 959 4.07457 1.04383 2ThrHb 2ThrHg2* None 5.01254e+07 960 960 4.08347 2.29762 (8Gly/7Ser)(Hab/Hbb) (11Lys/13Pro)(Hd3/Hbb) None 8.14524e+06 961 961 4.08842 2.21483 24CysHa 28GluHb3 None 1.92825e+07 962 962 4.09382 2.02013 24CysHa 28GluHg2 None 6.19271e+06 963 963 4.09376 2.63377 18GlyHaa 20CysHba None 1.51391e+07 964 964 4.04896 2.62879 38AspHa 38AspHb* None 3.13907e+07 965 965 4.09419 2.55089 18GlyHaa 17AspHba None 1.38912e+07 966 966 4.10135 3.53170 7SerHbb 7SerHba None 3.60487e+07 967 967 4.07111 3.89674 33GlyHaa 22LysHa None 6.81269e+07 968 968 4.08836 3.89195 8GlyHab 8GlyHaa None 4.69085e+07 969 969 4.10493 3.99336 32SerHbb 32SerHba None 1.01798e+08 970 970 4.10219 4.56521 32SerHbb 32SerHa None 2.44458e+07 971 971 4.10065 4.47929 7SerHbb 7SerHa None 7.54817e+06 972 972 4.10493 4.32193 18GlyHaa 18GlyHab None 2.96767e+07 973 973 4.06994 5.34704 2ThrHb 2ThrHa None 5.83064e+07 974 974 4.09710 5.95710 32SerHbb 43CysHa None 5.63282e+06 975 975 4.06665 5.95863 33GlyHaa 43CysHa None 6.11957e+06 976 976 4.09410 7.03780 24CysHa 28GluH None 4.67353e+06 977 977 4.09443 6.98944 24CysHa 27AsnHd2a None 4.11506e+06 978 978 4.09866 8.65191 7SerHbb 7SerH None 9.90152e+06 979 979 4.08499 9.17934 24CysHa 24CysH None 6.18879e+06 980 980 4.09616 9.06008 2ThrHb 3CysH None 1.75281e+07 981 981 4.09663 8.88167 (24Cys/32Ser)(Ha/Hbb) (34Arg/26Asn)H None 6.76900e+06 982 982 4.06579 8.87938 33GlyHaa 34ArgH None 4.13959e+06 983 983 4.17219 0.87002 31LeuHa 31LeuHdb* None 5.28493e+07 984 984 4.16816 0.78525 31LeuHa 31LeuHda* None 6.09825e+06 985 985 4.16596 1.71771 31LeuHa 31LeuHg None 1.18056e+07 986 986 4.16897 1.62081 31LeuHa 31LeuHbb None 1.19997e+07 987 987 4.16242 1.51053 1LysHa 1LysHg* None 1.69884e+07 988 988 4.16915 1.42601 31LeuHa 31LeuHba None 2.74286e+07 989 989 4.16170 1.97769 1LysHa 1LysHb* None 1.92430e+07 990 990 4.16265 8.44666 1LysHa 2ThrH None 3.70053e+07 991 991 4.16879 8.38283 35CysHa 20CysH None 1.38549e+07 992 992 4.08842 8.24091 12GlyHab 12GlyH None 6.24162e+06 993 993 4.17183 8.19974 31LeuHa 31LeuH None 1.24940e+07 994 994 4.28370 7.97363 (28Glu/25Arg)Ha 27AsnH None 1.40685e+07 995 995 4.27444 7.93354 (28Glu/25Arg)Ha 27AsnH None 9.06089e+06 996 996 4.26148 7.83780 25ArgHa 25ArgH None 1.06970e+07 997 997 4.26735 6.98564 28GluHa 28GluH None 1.08206e+07 998 998 4.31670 6.93501 18GlyHab 39PheHd* None 8.04716e+06 999 999 4.26068 6.48954 25ArgHa None None 6.47998e+06 1000 1000 4.29519 4.10530 (28Glu/25Arg)Ha 24CysHa None 3.10544e+07 1001 1001 4.26986 3.47445 (28Glu/25Arg)Ha 29HisHb2 None 9.92481e+06 1002 1002 4.30323 3.03439 19AsnHa 19AsnHbb None 4.23964e+07 1003 1003 4.27625 2.47190 28GluHa 27AsnHbb None 6.28708e+06 1004 1004 4.26202 2.29655 28GluHa 28GluHb2 None 2.83354e+07 1005 1005 4.26517 2.21228 28GluHa 28GluHb3 None 2.43562e+07 1006 1006 4.26255 1.99722 28GluHa 28GluHg* None 2.42496e+07 1007 1007 4.26209 1.80739 25ArgHa 25ArgHbb None 2.46351e+07 1008 1008 4.26466 1.54376 25ArgHa 25ArgHba None 1.67953e+07 1009 1009 4.26330 1.49084 25ArgHa 25ArgHg2 None 3.40468e+07 1010 1010 4.31658 2.76434 18GlyHab 20CysHbb None 1.25199e+07 1011 1011 4.30788 2.65499 19AsnHa 19AsnHba None 4.61962e+07 1012 1012 4.32026 4.10373 18GlyHab 18GlyHaa None 1.95554e+07 1013 1013 5.06090 9.01349 (3Cys/45Asn)Ha (44Thr/5Asn)H None 8.25608e+06 1014 1014 9.76912 7.77373 8GlyH 9ThrH None 7.86183e+06 1015 1015 8.64055 9.16553 30LeuH 24CysH None 5.36396e+06 1016 1016 7.95244 8.28594 39PheH 38AspH None 6.01273e+06 1017 1017 8.27311 4.60012 38AspH 37AspHa None 6.05646e+06 1018 1018 8.26772 4.06379 38AspH 38AspHa None 4.10367e+06 1019 1019 7.92251 4.28437 39PheH 20CysHa None 6.61032e+06 1020 1020 8.80256 3.36577 36ArgH 14CysHbb None 6.29605e+06 1021 1021 8.71425 3.48350 None 29HisHb3 None 4.68786e+06 1022 1022 8.55136 3.03414 21AsnH 19AsnHbb None 6.08729e+06 1023 1023 8.79076 2.85540 36ArgH 39PheHbb None 7.17493e+06 1024 1024 8.78797 2.98900 36ArgH 14CysHba None 8.22695e+06 1025 1025 8.76470 2.64600 36ArgH 20CysHba None 5.50297e+06 1026 1026 8.27010 2.62920 38AspH 38AspHb* None 9.68656e+06 1027 1027 7.92204 2.47076 27AsnH 27AsnHbb None 8.15571e+06 1028 1028 7.92351 2.20345 39PheH 36ArgHbb None 1.14105e+07 1029 1029 7.90384 1.78574 25ArgH 25ArgHbb None 4.31362e+06 1030 1030 7.94538 1.80010 27AsnH 25ArgHbb None 5.43310e+06 1031 1031 8.26983 1.79712 38AspH 36ArgHba None 1.81826e+07 1032 1032 8.79739 1.62592 36ArgH 34Arg(Hba/Hgb) None 7.83154e+06 1033 1033 8.75711 1.62362 None 22LysHgb None 4.99115e+06 1034 1034 8.99569 1.19946 37AspH 15IleHg1a None 5.80610e+06 1035 1035 7.47940 0.07462 42TrpHz2 6LeuHda* None 6.59359e+06 1036 1036 7.48152 0.26470 42TrpHz2 6LeuHdb* None 3.26566e+06 1037 1037 7.48228 0.47283 42TrpHz2 6LeuHg None 5.92054e+06 1038 1038 8.64027 0.24626 7SerH 6LeuHdb* None 2.78448e+06 1039 1039 7.21740 1.37290 42TrpHh2 11LysHgb None 3.97780e+06 1040 1040 7.23802 1.65345 (29His/42Trp)H 34Arg(Hgb/Hba/Hgb/Hba) None 8.52244e+06 1041 1041 7.21222 1.85871 42TrpHh2 11LysHd3 None 4.22832e+06 1042 1042 7.70287 1.59483 22LysH 22LysHgb None 4.81045e+06 1043 1043 7.23219 2.01712 (29His/42Trp)H 16ProHgb None 4.54531e+06 1044 1044 7.40263 2.01917 42TrpHd1 34ArgHbb None 4.37643e+06 1045 1045 7.06587 1.99862 45AsnHd2a 28GluHg* None 3.41074e+06 1046 1046 7.82504 2.55659 (10Phe/27Asn)H (24Cys/11Lys)(Hb*/Hd3) None 3.63885e+06 1047 1047 7.23781 3.13351 42TrpHh2 34ArgHda None 9.88604e+06 1048 1048 7.21562 3.20764 42TrpHh2 43CysHbb None 1.36408e+07 1049 1049 7.23780 3.27497 42TrpHh2 34ArgHdb None 6.13318e+06 1050 1050 7.09886 3.52544 19AsnHd2a 29HisHb* None 5.27508e+06 1051 1051 7.82610 4.10030 10PheH 8GlyHab None 3.27334e+06 1052 1052 7.10103 4.26971 19AsnHd2a 20CysHa None 4.43337e+06 1053 1053 7.76460 4.47671 9ThrH 9ThrHb None 5.37509e+06 1054 1054 7.09932 4.65980 19AsnHd2a 40ArgHa None 4.76817e+06 1055 1055 7.50057 6.79380 42TrpHz2 10PheHd* None 4.35549e+06 1056 1056 7.40836 6.93396 42TrpHd1 42TrpHe3 None 2.00416e+07 1057 1057 6.94641 7.18933 42TrpHe3 42TrpHh2 None 1.34911e+07 1058 1058 7.12651 7.67677 19AsnHd2a 19AsnHd2b None 3.51781e+07 1059 1059 7.01971 7.93700 28GluH 27AsnH None 1.35911e+08 1060 1060 6.92028 7.73312 5AsnHd2a 5AsnHd2b None 2.05812e+08 1061 1061 6.91755 6.82018 39PheHd* 19AsnH None 1.19072e+08 1062 1062 6.91966 4.32998 39PheHd* 18GlyHab None 1.23123e+07 1063 1063 6.97081 4.27525 28GluH 28GluHa None 1.15905e+07 1064 1064 6.77747 3.14642 21AsnHd2a 21AsnHbb None 2.97567e+06 1065 1065 6.91160 2.41782 5AsnHd2a 11LysHd3 None 3.96897e+06 1066 1066 6.97377 2.20957 42TrpHe3 4GluHga None 2.72779e+07 1067 1067 5.31070 8.87790 33GlyHab 34ArgH None 9.00039e+06 1068 1068 4.06327 9.25669 44ThrHb 45AsnH None 5.30605e+06 1069 1069 4.06596 9.12924 33GlyHaa 24CysH None 3.94253e+06 1070 1070 4.26920 8.90883 25ArgHa 26AsnH None 6.59656e+06 1071 1071 4.04914 8.28064 38AspHa 38AspH None 4.94212e+06 1072 1072 3.89500 7.77589 8GlyHaa 9ThrH None 4.58510e+06 1073 1073 4.26938 7.03535 28GluHa 28GluH None 6.16752e+06 1074 1074 4.32218 6.82319 (19Asn/18Gly)Ha 19AsnH None 3.80168e+06 1075 1075 4.04747 4.57098 33GlyHaa 32SerHa None 2.58380e+06 1076 1076 3.84239 4.11541 12GlyHaa 12GlyHab None 2.79150e+07 1077 1077 4.11903 3.86129 12GlyHab 12GlyHaa None 1.42436e+07 1078 1078 3.91080 1.80979 22LysHa 25ArgHbb None 4.13871e+06 1079 1079 3.90688 1.75128 22LysHa 22LysHd* None 3.92592e+06 1080 1080 4.11540 1.48652 24CysHa 25ArgHg2 None 3.97209e+06 1081 1081 4.16157 1.04391 1LysHa 2ThrHg2* None 3.69531e+06 1082 1082 4.05238 0.78566 44ThrHb 31LeuHda* None 5.64872e+06 1083 1083 3.12356 0.07614 6LeuHa 6LeuHda* None 4.56912e+06 1084 1084 3.25549 2.01579 34ArgHdb 34ArgHbb None 3.65471e+06 1085 1085 2.97082 2.85455 46ArgHdb 46ArgHda None 9.31610e+07 1086 1086 3.24473 3.04200 25ArgHdb 25ArgHda None 8.53227e+07 1087 1087 3.12093 7.25259 34ArgHda 42TrpHh2 None 5.54574e+06 1088 1088 3.13356 7.78541 21AsnHbb 21AsnHd2b None 6.11540e+06 1089 1089 2.84556 8.80540 39PheHbb 36ArgH None 6.03496e+06 1090 1090 2.75792 8.73703 3CysHba 4GluH None 4.49046e+06 1091 1091 2.79569 8.42594 20CysHbb 40ArgH None 8.27943e+06 1092 1092 1.78821 8.28361 37AspHb* 38AspH None 1.25562e+07 1093 1093 1.79173 7.93477 36ArgHba 39PheH None 5.62947e+06 1094 1094 2.83875 7.07786 42TrpHb3 42TrpHz3 None 4.97665e+06 1095 1095 2.19743 7.03708 4GluHga 45AsnHd2a None 5.60613e+06 1096 1096 2.62677 6.80637 20CysHba 21AsnHd2a None 3.29768e+06 1097 1097 2.06521 3.57068 13ProHgb 13ProHda None 4.26755e+06 1098 1098 2.00849 3.62913 13ProHga 13ProHdb None 3.15810e+06 1099 1099 2.03090 3.52949 {*}(Hbb/Hbb/Hg*) {*}Hb* None 5.49165e+06 1100 1100 1.90524 3.24048 30LeuHbb 43CysHbb None 4.76774e+06 1101 1101 1.83631 3.20781 36ArgHgb 36ArgHda None 1.07851e+07 1102 1102 1.83477 3.24622 36Arg(Hba/Hgb) 36ArgHda None 9.77125e+06 1103 1103 2.40179 2.75349 10PheHba 10PheHbb None 2.82152e+07 1104 1104 2.74268 2.42555 10PheHbb 10PheHba None 3.41463e+07 1105 1105 2.97021 1.90619 46ArgHdb 46ArgHbb None 7.02211e+06 1106 1106 0.15253 0.43904 6LeuHda* 6LeuHg None 8.68253e+06 1107 1107 1.30058 0.81228 46ArgHga 31LeuHda* None 6.79497e+06 1108 1108 0.96692 1.28168 15IleHg2* 15IleHg1b None 1.08959e+07 1109 1109 0.46100 2.01114 6LeuHg 34ArgHbb None 3.71979e+06 1110 1110 1.70192 3.26657 31LeuHg (25Arg/43Cys)(Hdb/Hbb) None 4.10816e+06 1111 1111 0.85716 4.18556 31LeuHdb* 31LeuHa None 5.64268e+07 1112 1112 1.16771 4.48137 9ThrHg2* 9ThrHb None 2.23176e+07 1113 1113 1.54374 4.91166 34ArgHga 41CysHa None 3.46297e+06 1114 1114 1.48770 7.72343 22LysHga 22LysH None 7.56925e+06 1115 1115 1.58156 7.72267 11LysHbb 11LysH None 4.58987e+06 1116 1116 0.77685 7.62932 31LeuHda* 45AsnHd2b None 4.04002e+06 1117 1117 1.50436 8.44719 1LysHg* 2ThrH None 6.22058e+06 1118 1118 4.17180 7.56492 31LeuHa 32SerH None 3.92034e+06 1119 1119 4.10294 7.56070 32SerHbb 32SerH None 4.43825e+06 1120 1120 4.08870 4.39408 24CysHa 29HisHa None 8.08444e+06 1121 1121 4.10188 1.41708 32SerHbb 31LeuHba None 3.73704e+06 1122 1122 7.96377 6.98721 27AsnH 27AsnHd2a None 2.76207e+07 1123 1123 1.30074 1.61807 46ArgHga 46ArgHgb None 1.43040e+07 1124 1124 7.76130 4.09103 9ThrH 8GlyHab None 4.61022e+06 1125 1125 4.76766 0.08023 42TrpHa 6LeuHda* None 4.21575e+06 1126 1126 7.02733 2.41809 {*}H (11Lys/10Phe)(Hd3/Hba) None 4.90085e+06 1127 1127 9.00510 9.25631 44ThrH 45AsnH None 6.66572e+06 1128 1128 3.58266 9.17829 29HisHb2 24CysH None 5.83387e+06 1129 1129 2.98362 4.71840 14CysHba 14CysHa None 6.62892e+05 1130 1130 2.98534 8.80380 14CysHba 36ArgH None 6.65590e+06 1131 1131 3.37025 8.79693 14CysHbb 36ArgH None 2.89183e+06 1132 1132 7.80088 3.36115 {*}H (36Arg/14Cys)(Hdb/Hbb) None 4.13282e+06 1133 1133 3.01950 8.56647 25ArgHda None None 7.46953e+06 1134 1134 7.31402 3.04438 29HisH 25ArgHda None 4.19919e+06 1135 1135 8.37011 4.06501 20CysH 33GlyHaa None 3.68369e+06 1136 1136 8.37756 2.64328 20CysH 19AsnHba None 3.70947e+06 1137 1137 8.02811 7.04460 None 28GluH None 3.40313e+06 1138 1138 4.04250 8.42951 44ThrHb 2ThrH None 3.23195e+06 1139 1139 4.04473 1.43181 44ThrHb 31LeuHba None 3.45597e+06 1140 1140 4.62064 2.63238 {*}Ha {*}Hb* None 3.93322e+06 1141 1141 6.77970 3.04544 21AsnHd2a 25ArgHda None 4.42477e+06 1142 1142 8.52242 8.80602 (21Asn/18Gly)H 36ArgH None 3.41557e+06 1143 1143 1.67665 8.78359 41CysHba 36ArgH None 5.48163e+06 1144 1144 2.26498 8.96491 4GluHgb 5AsnH None 3.49270e+06 1145 1145 1.97926 6.98860 22LysHb3 26AsnHd2a None 6.65508e+06 1146 1146 1.97153 7.03686 (22Lys/28Glu)(Hb*/Hg2) {*}(Hd2a/H/H/Hd2a) None 2.97374e+06 1147 1147 9.00207 7.63320 (44Thr/33Gly)H (26Asn/29His)(Hd2b/H) None 4.50326e+06 1148 1148 9.00415 5.54394 44ThrH 4GluHa None 9.24599e+06 1149 1149 8.78906 1.26212 36ArgH 15IleHg1b None 4.46782e+06 1150 1150 8.85686 2.94227 34ArgH 43CysHba None 3.01630e+06 1151 1151 4.47337 3.52881 7SerHa 7SerHba None 5.02358e+06 1152 1152 3.90755 7.84549 22LysHa 25ArgH None 3.63656e+06 1153 1153 5.51292 8.74157 4GluHa 4GluH None 3.07775e+06 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 12 ppm . . . 4.7 . . 30561 1 2 . . C 13 CA . . 80 ppm . . . 38 . . 30561 1 3 . . N 15 HN . . 40 ppm . . . 118 . . 30561 1 stop_ save_