data_30938 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30938 _Entry.Title ; hyen D solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-29 _Entry.Accession_date 2021-07-29 _Entry.Last_release_date 2021-08-23 _Entry.Original_release_date 2021-08-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Q. Du Q. . . . 30938 2 Y. Huang Y. H. . . 30938 3 D. Craik D. J. . . 30938 4 C. Wang C. K. . . 30938 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PLANT PROTEIN' . 30938 cyclotides . 30938 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30938 spectral_peak_list 1 30938 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 80 30938 '15N chemical shifts' 25 30938 '1H chemical shifts' 191 30938 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-04-11 2021-07-29 update BMRB 'update entry citation' 30938 1 . . 2022-02-25 2021-07-29 original author 'original release' 30938 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7RN3 'BMRB Entry Tracking System' 30938 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30938 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35283188 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mutagenesis of bracelet cyclotide hyen D reveals functionally and structurally critical residues for membrane binding and cytotoxicity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 298 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101822 _Citation.Page_last 101822 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qingdan Du Q. . . . 30938 1 2 Yen-Hua Huang Y. H. . . 30938 1 3 Conan Wang C. K. . . 30938 1 4 Quentin Kaas Q. . . . 30938 1 5 David Craik D. J. . . 30938 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30938 _Assembly.ID 1 _Assembly.Name 'D-hDM1, Cyclotide hyen-D' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30938 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 4 4 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . . . 30938 1 2 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 22 22 SG . . . . . . . . . . . . 30938 1 3 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . 30938 1 4 covalent single . 1 . 1 GLY 1 1 N . 1 . 1 ASN 30 30 C . . . . . . . . . . . . 30938 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30938 _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 ; GFPCGESCVYIPCFTAAIGC SCKSKVCYKN ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method nat _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3182.778 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30938 1 2 . PHE . 30938 1 3 . PRO . 30938 1 4 . CYS . 30938 1 5 . GLY . 30938 1 6 . GLU . 30938 1 7 . SER . 30938 1 8 . CYS . 30938 1 9 . VAL . 30938 1 10 . TYR . 30938 1 11 . ILE . 30938 1 12 . PRO . 30938 1 13 . CYS . 30938 1 14 . PHE . 30938 1 15 . THR . 30938 1 16 . ALA . 30938 1 17 . ALA . 30938 1 18 . ILE . 30938 1 19 . GLY . 30938 1 20 . CYS . 30938 1 21 . SER . 30938 1 22 . CYS . 30938 1 23 . LYS . 30938 1 24 . SER . 30938 1 25 . LYS . 30938 1 26 . VAL . 30938 1 27 . CYS . 30938 1 28 . TYR . 30938 1 29 . LYS . 30938 1 30 . ASN . 30938 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30938 1 . PHE 2 2 30938 1 . PRO 3 3 30938 1 . CYS 4 4 30938 1 . GLY 5 5 30938 1 . GLU 6 6 30938 1 . SER 7 7 30938 1 . CYS 8 8 30938 1 . VAL 9 9 30938 1 . TYR 10 10 30938 1 . ILE 11 11 30938 1 . PRO 12 12 30938 1 . CYS 13 13 30938 1 . PHE 14 14 30938 1 . THR 15 15 30938 1 . ALA 16 16 30938 1 . ALA 17 17 30938 1 . ILE 18 18 30938 1 . GLY 19 19 30938 1 . CYS 20 20 30938 1 . SER 21 21 30938 1 . CYS 22 22 30938 1 . LYS 23 23 30938 1 . SER 24 24 30938 1 . LYS 25 25 30938 1 . VAL 26 26 30938 1 . CYS 27 27 30938 1 . TYR 28 28 30938 1 . LYS 29 29 30938 1 . ASN 30 30 30938 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 30938 _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 . 212266 organism . 'Hybanthus enneaspermus' 'Spade flower, Viola enneasperma' . . Eukaryota Viridiplantae Hybanthus enneaspermus . . . . . . . . . . . . . 30938 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 30938 _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 . . . . . . . . . . . . . . . . . . 30938 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30938 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '4 mg/mL hyen D, 90 % H2O, 10 % D2O, 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 'hyen D' 'natural abundance' . . 1 $entity_1 . . 4 . . mg/mL . . . . 30938 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30938 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30938 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30938 _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 pH 3.5 . pH 30938 1 pressure 1 . atm 30938 1 temperature 298 . K 30938 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30938 _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.' . . 30938 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30938 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30938 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30938 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30938 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30938 _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 . . 30938 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30938 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30938 _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' . . 30938 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30938 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 30938 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 30938 _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 HD' . 600 . . . 30938 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 30938 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30938 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30938 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30938 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30938 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 30938 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 30938 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30938 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 30938 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 30938 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30938 1 2 '2D 1H-1H NOESY' . . . 30938 1 3 '2D 1H-15N HSQC' . . . 30938 1 4 '2D 1H-13C HSQC aliphatic' . . . 30938 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.612 . . . . . . . A 1 GLY H1 . 30938 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.030 . . . . . . . A 1 GLY HA2 . 30938 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.446 . . . . . . . A 1 GLY HA3 . 30938 1 4 . 1 . 1 1 1 GLY CA C 13 45.103 . . . . . . . A 1 GLY CA . 30938 1 5 . 1 . 1 1 1 GLY N N 15 102.336 . . . . . . . A 1 GLY N . 30938 1 6 . 1 . 1 2 2 PHE H H 1 8.219 . . . . . . . A 2 PHE H . 30938 1 7 . 1 . 1 2 2 PHE HA H 1 5.177 . . . . . . . A 2 PHE HA . 30938 1 8 . 1 . 1 2 2 PHE HB2 H 1 3.239 . . . . . . . A 2 PHE HB2 . 30938 1 9 . 1 . 1 2 2 PHE HB3 H 1 3.042 . . . . . . . A 2 PHE HB3 . 30938 1 10 . 1 . 1 2 2 PHE HD1 H 1 7.393 . . . . . . . A 2 PHE HD1 . 30938 1 11 . 1 . 1 2 2 PHE HD2 H 1 7.393 . . . . . . . A 2 PHE HD2 . 30938 1 12 . 1 . 1 2 2 PHE HE1 H 1 7.429 . . . . . . . A 2 PHE HE1 . 30938 1 13 . 1 . 1 2 2 PHE HE2 H 1 7.429 . . . . . . . A 2 PHE HE2 . 30938 1 14 . 1 . 1 2 2 PHE CA C 13 55.388 . . . . . . . A 2 PHE CA . 30938 1 15 . 1 . 1 2 2 PHE CB C 13 40.545 . . . . . . . A 2 PHE CB . 30938 1 16 . 1 . 1 2 2 PHE N N 15 121.334 . . . . . . . A 2 PHE N . 30938 1 17 . 1 . 1 3 3 PRO HA H 1 4.119 . . . . . . . A 3 PRO HA . 30938 1 18 . 1 . 1 3 3 PRO HB2 H 1 1.878 . . . . . . . A 3 PRO HB2 . 30938 1 19 . 1 . 1 3 3 PRO HB3 H 1 2.070 . . . . . . . A 3 PRO HB3 . 30938 1 20 . 1 . 1 3 3 PRO HG2 H 1 1.969 . . . . . . . A 3 PRO HG2 . 30938 1 21 . 1 . 1 3 3 PRO HG3 H 1 2.106 . . . . . . . A 3 PRO HG3 . 30938 1 22 . 1 . 1 3 3 PRO HD2 H 1 3.950 . . . . . . . A 3 PRO HD2 . 30938 1 23 . 1 . 1 3 3 PRO HD3 H 1 3.682 . . . . . . . A 3 PRO HD3 . 30938 1 24 . 1 . 1 3 3 PRO CA C 13 63.032 . . . . . . . A 3 PRO CA . 30938 1 25 . 1 . 1 3 3 PRO CB C 13 32.142 . . . . . . . A 3 PRO CB . 30938 1 26 . 1 . 1 3 3 PRO CG C 13 27.512 . . . . . . . A 3 PRO CG . 30938 1 27 . 1 . 1 3 3 PRO CD C 13 51.034 . . . . . . . A 3 PRO CD . 30938 1 28 . 1 . 1 4 4 CYS H H 1 8.587 . . . . . . . A 4 CYS H . 30938 1 29 . 1 . 1 4 4 CYS HA H 1 4.601 . . . . . . . A 4 CYS HA . 30938 1 30 . 1 . 1 4 4 CYS HB2 H 1 3.293 . . . . . . . A 4 CYS HB2 . 30938 1 31 . 1 . 1 4 4 CYS HB3 H 1 3.103 . . . . . . . A 4 CYS HB3 . 30938 1 32 . 1 . 1 4 4 CYS CA C 13 55.050 . . . . . . . A 4 CYS CA . 30938 1 33 . 1 . 1 4 4 CYS CB C 13 45.448 . . . . . . . A 4 CYS CB . 30938 1 34 . 1 . 1 4 4 CYS N N 15 119.093 . . . . . . . A 4 CYS N . 30938 1 35 . 1 . 1 5 5 GLY H H 1 8.803 . . . . . . . A 5 GLY H . 30938 1 36 . 1 . 1 5 5 GLY HA2 H 1 4.127 . . . . . . . A 5 GLY HA2 . 30938 1 37 . 1 . 1 5 5 GLY HA3 H 1 3.682 . . . . . . . A 5 GLY HA3 . 30938 1 38 . 1 . 1 5 5 GLY CA C 13 45.791 . . . . . . . A 5 GLY CA . 30938 1 39 . 1 . 1 5 5 GLY N N 15 109.197 . . . . . . . A 5 GLY N . 30938 1 40 . 1 . 1 6 6 GLU H H 1 7.772 . . . . . . . A 6 GLU H . 30938 1 41 . 1 . 1 6 6 GLU HA H 1 4.610 . . . . . . . A 6 GLU HA . 30938 1 42 . 1 . 1 6 6 GLU HB2 H 1 1.849 . . . . . . . A 6 GLU HB2 . 30938 1 43 . 1 . 1 6 6 GLU HB3 H 1 1.748 . . . . . . . A 6 GLU HB3 . 30938 1 44 . 1 . 1 6 6 GLU HG2 H 1 2.567 . . . . . . . A 6 GLU HG2 . 30938 1 45 . 1 . 1 6 6 GLU HG3 H 1 2.452 . . . . . . . A 6 GLU HG3 . 30938 1 46 . 1 . 1 6 6 GLU CA C 13 56.003 . . . . . . . A 6 GLU CA . 30938 1 47 . 1 . 1 6 6 GLU CB C 13 32.581 . . . . . . . A 6 GLU CB . 30938 1 48 . 1 . 1 6 6 GLU CG C 13 33.627 . . . . . . . A 6 GLU CG . 30938 1 49 . 1 . 1 6 6 GLU N N 15 118.194 . . . . . . . A 6 GLU N . 30938 1 50 . 1 . 1 7 7 SER H H 1 8.793 . . . . . . . A 7 SER H . 30938 1 51 . 1 . 1 7 7 SER HA H 1 4.740 . . . . . . . A 7 SER HA . 30938 1 52 . 1 . 1 7 7 SER HB2 H 1 4.063 . . . . . . . A 7 SER HB2 . 30938 1 53 . 1 . 1 7 7 SER HB3 H 1 3.938 . . . . . . . A 7 SER HB3 . 30938 1 54 . 1 . 1 7 7 SER CA C 13 57.340 . . . . . . . A 7 SER CA . 30938 1 55 . 1 . 1 7 7 SER CB C 13 64.796 . . . . . . . A 7 SER CB . 30938 1 56 . 1 . 1 7 7 SER N N 15 119.438 . . . . . . . A 7 SER N . 30938 1 57 . 1 . 1 8 8 CYS H H 1 8.162 . . . . . . . A 8 CYS H . 30938 1 58 . 1 . 1 8 8 CYS HA H 1 5.307 . . . . . . . A 8 CYS HA . 30938 1 59 . 1 . 1 8 8 CYS HB2 H 1 3.277 . . . . . . . A 8 CYS HB2 . 30938 1 60 . 1 . 1 8 8 CYS HB3 H 1 3.186 . . . . . . . A 8 CYS HB3 . 30938 1 61 . 1 . 1 8 8 CYS CA C 13 55.243 . . . . . . . A 8 CYS CA . 30938 1 62 . 1 . 1 8 8 CYS CB C 13 46.106 . . . . . . . A 8 CYS CB . 30938 1 63 . 1 . 1 8 8 CYS N N 15 119.648 . . . . . . . A 8 CYS N . 30938 1 64 . 1 . 1 9 9 VAL H H 1 7.963 . . . . . . . A 9 VAL H . 30938 1 65 . 1 . 1 9 9 VAL HA H 1 3.467 . . . . . . . A 9 VAL HA . 30938 1 66 . 1 . 1 9 9 VAL HB H 1 1.680 . . . . . . . A 9 VAL HB . 30938 1 67 . 1 . 1 9 9 VAL HG11 H 1 0.975 . . . . . . . A 9 VAL HG11 . 30938 1 68 . 1 . 1 9 9 VAL HG12 H 1 0.975 . . . . . . . A 9 VAL HG12 . 30938 1 69 . 1 . 1 9 9 VAL HG13 H 1 0.975 . . . . . . . A 9 VAL HG13 . 30938 1 70 . 1 . 1 9 9 VAL HG21 H 1 0.324 . . . . . . . A 9 VAL HG21 . 30938 1 71 . 1 . 1 9 9 VAL HG22 H 1 0.324 . . . . . . . A 9 VAL HG22 . 30938 1 72 . 1 . 1 9 9 VAL HG23 H 1 0.324 . . . . . . . A 9 VAL HG23 . 30938 1 73 . 1 . 1 9 9 VAL CA C 13 66.065 . . . . . . . A 9 VAL CA . 30938 1 74 . 1 . 1 9 9 VAL CB C 13 32.103 . . . . . . . A 9 VAL CB . 30938 1 75 . 1 . 1 9 9 VAL CG1 C 13 22.611 . . . . . . . A 9 VAL CG1 . 30938 1 76 . 1 . 1 9 9 VAL CG2 C 13 20.625 . . . . . . . A 9 VAL CG2 . 30938 1 77 . 1 . 1 9 9 VAL N N 15 121.905 . . . . . . . A 9 VAL N . 30938 1 78 . 1 . 1 10 10 TYR H H 1 8.269 . . . . . . . A 10 TYR H . 30938 1 79 . 1 . 1 10 10 TYR HA H 1 4.680 . . . . . . . A 10 TYR HA . 30938 1 80 . 1 . 1 10 10 TYR HB2 H 1 3.256 . . . . . . . A 10 TYR HB2 . 30938 1 81 . 1 . 1 10 10 TYR HB3 H 1 2.812 . . . . . . . A 10 TYR HB3 . 30938 1 82 . 1 . 1 10 10 TYR HD1 H 1 7.149 . . . . . . . A 10 TYR HD1 . 30938 1 83 . 1 . 1 10 10 TYR HD2 H 1 7.149 . . . . . . . A 10 TYR HD2 . 30938 1 84 . 1 . 1 10 10 TYR HE1 H 1 6.831 . . . . . . . A 10 TYR HE1 . 30938 1 85 . 1 . 1 10 10 TYR HE2 H 1 6.831 . . . . . . . A 10 TYR HE2 . 30938 1 86 . 1 . 1 10 10 TYR CA C 13 58.020 . . . . . . . A 10 TYR CA . 30938 1 87 . 1 . 1 10 10 TYR CB C 13 40.339 . . . . . . . A 10 TYR CB . 30938 1 88 . 1 . 1 10 10 TYR N N 15 115.184 . . . . . . . A 10 TYR N . 30938 1 89 . 1 . 1 11 11 ILE H H 1 7.558 . . . . . . . A 11 ILE H . 30938 1 90 . 1 . 1 11 11 ILE HA H 1 4.675 . . . . . . . A 11 ILE HA . 30938 1 91 . 1 . 1 11 11 ILE HB H 1 1.893 . . . . . . . A 11 ILE HB . 30938 1 92 . 1 . 1 11 11 ILE HG12 H 1 1.453 . . . . . . . A 11 ILE HG12 . 30938 1 93 . 1 . 1 11 11 ILE HG13 H 1 1.096 . . . . . . . A 11 ILE HG13 . 30938 1 94 . 1 . 1 11 11 ILE HG21 H 1 1.001 . . . . . . . A 11 ILE HG21 . 30938 1 95 . 1 . 1 11 11 ILE HG22 H 1 1.001 . . . . . . . A 11 ILE HG22 . 30938 1 96 . 1 . 1 11 11 ILE HG23 H 1 1.001 . . . . . . . A 11 ILE HG23 . 30938 1 97 . 1 . 1 11 11 ILE HD11 H 1 0.908 . . . . . . . A 11 ILE HD11 . 30938 1 98 . 1 . 1 11 11 ILE HD12 H 1 0.908 . . . . . . . A 11 ILE HD12 . 30938 1 99 . 1 . 1 11 11 ILE HD13 H 1 0.908 . . . . . . . A 11 ILE HD13 . 30938 1 100 . 1 . 1 11 11 ILE CA C 13 58.337 . . . . . . . A 11 ILE CA . 30938 1 101 . 1 . 1 11 11 ILE CB C 13 40.583 . . . . . . . A 11 ILE CB . 30938 1 102 . 1 . 1 11 11 ILE CG1 C 13 26.150 . . . . . . . A 11 ILE CG1 . 30938 1 103 . 1 . 1 11 11 ILE CG2 C 13 17.890 . . . . . . . A 11 ILE CG2 . 30938 1 104 . 1 . 1 11 11 ILE CD1 C 13 13.558 . . . . . . . A 11 ILE CD1 . 30938 1 105 . 1 . 1 11 11 ILE N N 15 118.282 . . . . . . . A 11 ILE N . 30938 1 106 . 1 . 1 12 12 PRO HA H 1 4.390 . . . . . . . A 12 PRO HA . 30938 1 107 . 1 . 1 12 12 PRO HB2 H 1 2.280 . . . . . . . A 12 PRO HB2 . 30938 1 108 . 1 . 1 12 12 PRO HB3 H 1 1.570 . . . . . . . A 12 PRO HB3 . 30938 1 109 . 1 . 1 12 12 PRO HG2 H 1 1.871 . . . . . . . A 12 PRO HG2 . 30938 1 110 . 1 . 1 12 12 PRO HG3 H 1 1.871 . . . . . . . A 12 PRO HG3 . 30938 1 111 . 1 . 1 12 12 PRO HD2 H 1 3.750 . . . . . . . A 12 PRO HD2 . 30938 1 112 . 1 . 1 12 12 PRO HD3 H 1 3.517 . . . . . . . A 12 PRO HD3 . 30938 1 113 . 1 . 1 12 12 PRO CA C 13 62.264 . . . . . . . A 12 PRO CA . 30938 1 114 . 1 . 1 12 12 PRO CB C 13 32.539 . . . . . . . A 12 PRO CB . 30938 1 115 . 1 . 1 12 12 PRO CG C 13 27.481 . . . . . . . A 12 PRO CG . 30938 1 116 . 1 . 1 12 12 PRO CD C 13 50.926 . . . . . . . A 12 PRO CD . 30938 1 117 . 1 . 1 13 13 CYS H H 1 8.544 . . . . . . . A 13 CYS H . 30938 1 118 . 1 . 1 13 13 CYS HA H 1 4.241 . . . . . . . A 13 CYS HA . 30938 1 119 . 1 . 1 13 13 CYS HB2 H 1 2.978 . . . . . . . A 13 CYS HB2 . 30938 1 120 . 1 . 1 13 13 CYS HB3 H 1 2.715 . . . . . . . A 13 CYS HB3 . 30938 1 121 . 1 . 1 13 13 CYS CA C 13 57.204 . . . . . . . A 13 CYS CA . 30938 1 122 . 1 . 1 13 13 CYS CB C 13 41.194 . . . . . . . A 13 CYS CB . 30938 1 123 . 1 . 1 13 13 CYS N N 15 117.886 . . . . . . . A 13 CYS N . 30938 1 124 . 1 . 1 14 14 PHE HA H 1 4.538 . . . . . . . A 14 PHE HA . 30938 1 125 . 1 . 1 14 14 PHE HB2 H 1 3.353 . . . . . . . A 14 PHE HB2 . 30938 1 126 . 1 . 1 14 14 PHE HB3 H 1 3.198 . . . . . . . A 14 PHE HB3 . 30938 1 127 . 1 . 1 14 14 PHE HD1 H 1 7.333 . . . . . . . A 14 PHE HD1 . 30938 1 128 . 1 . 1 14 14 PHE HD2 H 1 7.333 . . . . . . . A 14 PHE HD2 . 30938 1 129 . 1 . 1 14 14 PHE HE1 H 1 7.392 . . . . . . . A 14 PHE HE1 . 30938 1 130 . 1 . 1 14 14 PHE HE2 H 1 7.392 . . . . . . . A 14 PHE HE2 . 30938 1 131 . 1 . 1 14 14 PHE CA C 13 60.086 . . . . . . . A 14 PHE CA . 30938 1 132 . 1 . 1 14 14 PHE CB C 13 38.269 . . . . . . . A 14 PHE CB . 30938 1 133 . 1 . 1 15 15 THR HA H 1 4.133 . . . . . . . A 15 THR HA . 30938 1 134 . 1 . 1 15 15 THR HB H 1 4.480 . . . . . . . A 15 THR HB . 30938 1 135 . 1 . 1 15 15 THR HG21 H 1 1.220 . . . . . . . A 15 THR HG21 . 30938 1 136 . 1 . 1 15 15 THR HG22 H 1 1.220 . . . . . . . A 15 THR HG22 . 30938 1 137 . 1 . 1 15 15 THR HG23 H 1 1.220 . . . . . . . A 15 THR HG23 . 30938 1 138 . 1 . 1 15 15 THR CA C 13 63.833 . . . . . . . A 15 THR CA . 30938 1 139 . 1 . 1 15 15 THR CB C 13 69.057 . . . . . . . A 15 THR CB . 30938 1 140 . 1 . 1 15 15 THR CG2 C 13 21.937 . . . . . . . A 15 THR CG2 . 30938 1 141 . 1 . 1 16 16 ALA H H 1 7.683 . . . . . . . A 16 ALA H . 30938 1 142 . 1 . 1 16 16 ALA HA H 1 4.580 . . . . . . . A 16 ALA HA . 30938 1 143 . 1 . 1 16 16 ALA HB1 H 1 1.416 . . . . . . . A 16 ALA HB1 . 30938 1 144 . 1 . 1 16 16 ALA HB2 H 1 1.416 . . . . . . . A 16 ALA HB2 . 30938 1 145 . 1 . 1 16 16 ALA HB3 H 1 1.416 . . . . . . . A 16 ALA HB3 . 30938 1 146 . 1 . 1 16 16 ALA CA C 13 54.122 . . . . . . . A 16 ALA CA . 30938 1 147 . 1 . 1 16 16 ALA CB C 13 18.971 . . . . . . . A 16 ALA CB . 30938 1 148 . 1 . 1 16 16 ALA N N 15 126.599 . . . . . . . A 16 ALA N . 30938 1 149 . 1 . 1 17 17 ALA H H 1 7.920 . . . . . . . A 17 ALA H . 30938 1 150 . 1 . 1 17 17 ALA HA H 1 4.313 . . . . . . . A 17 ALA HA . 30938 1 151 . 1 . 1 17 17 ALA HB1 H 1 1.408 . . . . . . . A 17 ALA HB1 . 30938 1 152 . 1 . 1 17 17 ALA HB2 H 1 1.408 . . . . . . . A 17 ALA HB2 . 30938 1 153 . 1 . 1 17 17 ALA HB3 H 1 1.408 . . . . . . . A 17 ALA HB3 . 30938 1 154 . 1 . 1 17 17 ALA CA C 13 53.222 . . . . . . . A 17 ALA CA . 30938 1 155 . 1 . 1 17 17 ALA N N 15 120.875 . . . . . . . A 17 ALA N . 30938 1 156 . 1 . 1 18 18 ILE H H 1 7.632 . . . . . . . A 18 ILE H . 30938 1 157 . 1 . 1 18 18 ILE HA H 1 4.256 . . . . . . . A 18 ILE HA . 30938 1 158 . 1 . 1 18 18 ILE HB H 1 2.040 . . . . . . . A 18 ILE HB . 30938 1 159 . 1 . 1 18 18 ILE HG12 H 1 1.545 . . . . . . . A 18 ILE HG12 . 30938 1 160 . 1 . 1 18 18 ILE HG13 H 1 1.169 . . . . . . . A 18 ILE HG13 . 30938 1 161 . 1 . 1 18 18 ILE HG21 H 1 0.904 . . . . . . . A 18 ILE HG21 . 30938 1 162 . 1 . 1 18 18 ILE HG22 H 1 0.904 . . . . . . . A 18 ILE HG22 . 30938 1 163 . 1 . 1 18 18 ILE HG23 H 1 0.904 . . . . . . . A 18 ILE HG23 . 30938 1 164 . 1 . 1 18 18 ILE CA C 13 61.750 . . . . . . . A 18 ILE CA . 30938 1 165 . 1 . 1 18 18 ILE CB C 13 38.103 . . . . . . . A 18 ILE CB . 30938 1 166 . 1 . 1 18 18 ILE CG1 C 13 27.907 . . . . . . . A 18 ILE CG1 . 30938 1 167 . 1 . 1 18 18 ILE CG2 C 13 17.468 . . . . . . . A 18 ILE CG2 . 30938 1 168 . 1 . 1 19 19 GLY H H 1 8.246 . . . . . . . A 19 GLY H . 30938 1 169 . 1 . 1 19 19 GLY HA2 H 1 4.258 . . . . . . . A 19 GLY HA2 . 30938 1 170 . 1 . 1 19 19 GLY HA3 H 1 3.790 . . . . . . . A 19 GLY HA3 . 30938 1 171 . 1 . 1 19 19 GLY CA C 13 45.411 . . . . . . . A 19 GLY CA . 30938 1 172 . 1 . 1 19 19 GLY N N 15 107.416 . . . . . . . A 19 GLY N . 30938 1 173 . 1 . 1 20 20 CYS H H 1 8.005 . . . . . . . A 20 CYS H . 30938 1 174 . 1 . 1 20 20 CYS HA H 1 5.019 . . . . . . . A 20 CYS HA . 30938 1 175 . 1 . 1 20 20 CYS HB2 H 1 3.563 . . . . . . . A 20 CYS HB2 . 30938 1 176 . 1 . 1 20 20 CYS HB3 H 1 2.568 . . . . . . . A 20 CYS HB3 . 30938 1 177 . 1 . 1 20 20 CYS CA C 13 57.731 . . . . . . . A 20 CYS CA . 30938 1 178 . 1 . 1 20 20 CYS CB C 13 48.378 . . . . . . . A 20 CYS CB . 30938 1 179 . 1 . 1 20 20 CYS N N 15 118.274 . . . . . . . A 20 CYS N . 30938 1 180 . 1 . 1 21 21 SER H H 1 9.523 . . . . . . . A 21 SER H . 30938 1 181 . 1 . 1 21 21 SER HA H 1 4.739 . . . . . . . A 21 SER HA . 30938 1 182 . 1 . 1 21 21 SER HB2 H 1 3.858 . . . . . . . A 21 SER HB2 . 30938 1 183 . 1 . 1 21 21 SER HB3 H 1 3.858 . . . . . . . A 21 SER HB3 . 30938 1 184 . 1 . 1 21 21 SER CA C 13 57.352 . . . . . . . A 21 SER CA . 30938 1 185 . 1 . 1 21 21 SER CB C 13 65.798 . . . . . . . A 21 SER CB . 30938 1 186 . 1 . 1 21 21 SER N N 15 116.283 . . . . . . . A 21 SER N . 30938 1 187 . 1 . 1 22 22 CYS H H 1 8.893 . . . . . . . A 22 CYS H . 30938 1 188 . 1 . 1 22 22 CYS HA H 1 4.687 . . . . . . . A 22 CYS HA . 30938 1 189 . 1 . 1 22 22 CYS HB2 H 1 3.181 . . . . . . . A 22 CYS HB2 . 30938 1 190 . 1 . 1 22 22 CYS HB3 H 1 3.105 . . . . . . . A 22 CYS HB3 . 30938 1 191 . 1 . 1 22 22 CYS CA C 13 56.430 . . . . . . . A 22 CYS CA . 30938 1 192 . 1 . 1 22 22 CYS CB C 13 41.433 . . . . . . . A 22 CYS CB . 30938 1 193 . 1 . 1 22 22 CYS N N 15 124.171 . . . . . . . A 22 CYS N . 30938 1 194 . 1 . 1 23 23 LYS H H 1 9.579 . . . . . . . A 23 LYS H . 30938 1 195 . 1 . 1 23 23 LYS HA H 1 4.620 . . . . . . . A 23 LYS HA . 30938 1 196 . 1 . 1 23 23 LYS HB2 H 1 1.825 . . . . . . . A 23 LYS HB2 . 30938 1 197 . 1 . 1 23 23 LYS HB3 H 1 1.825 . . . . . . . A 23 LYS HB3 . 30938 1 198 . 1 . 1 23 23 LYS HG2 H 1 1.400 . . . . . . . A 23 LYS HG2 . 30938 1 199 . 1 . 1 23 23 LYS HG3 H 1 1.267 . . . . . . . A 23 LYS HG3 . 30938 1 200 . 1 . 1 23 23 LYS HD2 H 1 1.489 . . . . . . . A 23 LYS HD2 . 30938 1 201 . 1 . 1 23 23 LYS HD3 H 1 1.403 . . . . . . . A 23 LYS HD3 . 30938 1 202 . 1 . 1 23 23 LYS HE2 H 1 2.777 . . . . . . . A 23 LYS HE2 . 30938 1 203 . 1 . 1 23 23 LYS HE3 H 1 2.777 . . . . . . . A 23 LYS HE3 . 30938 1 204 . 1 . 1 23 23 LYS HZ1 H 1 7.365 . . . . . . . A 23 LYS HZ1 . 30938 1 205 . 1 . 1 23 23 LYS HZ2 H 1 7.365 . . . . . . . A 23 LYS HZ2 . 30938 1 206 . 1 . 1 23 23 LYS HZ3 H 1 7.365 . . . . . . . A 23 LYS HZ3 . 30938 1 207 . 1 . 1 23 23 LYS CA C 13 56.868 . . . . . . . A 23 LYS CA . 30938 1 208 . 1 . 1 23 23 LYS CB C 13 34.224 . . . . . . . A 23 LYS CB . 30938 1 209 . 1 . 1 23 23 LYS CG C 13 24.501 . . . . . . . A 23 LYS CG . 30938 1 210 . 1 . 1 23 23 LYS CD C 13 29.075 . . . . . . . A 23 LYS CD . 30938 1 211 . 1 . 1 23 23 LYS CE C 13 42.047 . . . . . . . A 23 LYS CE . 30938 1 212 . 1 . 1 23 23 LYS N N 15 133.445 . . . . . . . A 23 LYS N . 30938 1 213 . 1 . 1 24 24 SER H H 1 9.287 . . . . . . . A 24 SER H . 30938 1 214 . 1 . 1 24 24 SER HA H 1 3.937 . . . . . . . A 24 SER HA . 30938 1 215 . 1 . 1 24 24 SER HB2 H 1 3.869 . . . . . . . A 24 SER HB2 . 30938 1 216 . 1 . 1 24 24 SER HB3 H 1 4.081 . . . . . . . A 24 SER HB3 . 30938 1 217 . 1 . 1 24 24 SER CA C 13 58.941 . . . . . . . A 24 SER CA . 30938 1 218 . 1 . 1 24 24 SER CB C 13 61.928 . . . . . . . A 24 SER CB . 30938 1 219 . 1 . 1 24 24 SER N N 15 122.132 . . . . . . . A 24 SER N . 30938 1 220 . 1 . 1 25 25 LYS H H 1 8.236 . . . . . . . A 25 LYS H . 30938 1 221 . 1 . 1 25 25 LYS HA H 1 3.523 . . . . . . . A 25 LYS HA . 30938 1 222 . 1 . 1 25 25 LYS HB2 H 1 2.280 . . . . . . . A 25 LYS HB2 . 30938 1 223 . 1 . 1 25 25 LYS HB3 H 1 1.934 . . . . . . . A 25 LYS HB3 . 30938 1 224 . 1 . 1 25 25 LYS HG2 H 1 1.298 . . . . . . . A 25 LYS HG2 . 30938 1 225 . 1 . 1 25 25 LYS HG3 H 1 1.298 . . . . . . . A 25 LYS HG3 . 30938 1 226 . 1 . 1 25 25 LYS HD2 H 1 1.607 . . . . . . . A 25 LYS HD2 . 30938 1 227 . 1 . 1 25 25 LYS HD3 H 1 1.669 . . . . . . . A 25 LYS HD3 . 30938 1 228 . 1 . 1 25 25 LYS HE2 H 1 2.955 . . . . . . . A 25 LYS HE2 . 30938 1 229 . 1 . 1 25 25 LYS HE3 H 1 2.955 . . . . . . . A 25 LYS HE3 . 30938 1 230 . 1 . 1 25 25 LYS HZ1 H 1 7.538 . . . . . . . A 25 LYS HZ1 . 30938 1 231 . 1 . 1 25 25 LYS HZ2 H 1 7.538 . . . . . . . A 25 LYS HZ2 . 30938 1 232 . 1 . 1 25 25 LYS HZ3 H 1 7.538 . . . . . . . A 25 LYS HZ3 . 30938 1 233 . 1 . 1 25 25 LYS CA C 13 59.771 . . . . . . . A 25 LYS CA . 30938 1 234 . 1 . 1 25 25 LYS CB C 13 29.891 . . . . . . . A 25 LYS CB . 30938 1 235 . 1 . 1 25 25 LYS CG C 13 25.810 . . . . . . . A 25 LYS CG . 30938 1 236 . 1 . 1 25 25 LYS CD C 13 29.627 . . . . . . . A 25 LYS CD . 30938 1 237 . 1 . 1 25 25 LYS CE C 13 42.378 . . . . . . . A 25 LYS CE . 30938 1 238 . 1 . 1 26 26 VAL H H 1 8.027 . . . . . . . A 26 VAL H . 30938 1 239 . 1 . 1 26 26 VAL HA H 1 4.286 . . . . . . . A 26 VAL HA . 30938 1 240 . 1 . 1 26 26 VAL HB H 1 2.056 . . . . . . . A 26 VAL HB . 30938 1 241 . 1 . 1 26 26 VAL HG11 H 1 0.959 . . . . . . . A 26 VAL HG11 . 30938 1 242 . 1 . 1 26 26 VAL HG12 H 1 0.959 . . . . . . . A 26 VAL HG12 . 30938 1 243 . 1 . 1 26 26 VAL HG13 H 1 0.959 . . . . . . . A 26 VAL HG13 . 30938 1 244 . 1 . 1 26 26 VAL HG21 H 1 0.624 . . . . . . . A 26 VAL HG21 . 30938 1 245 . 1 . 1 26 26 VAL HG22 H 1 0.624 . . . . . . . A 26 VAL HG22 . 30938 1 246 . 1 . 1 26 26 VAL HG23 H 1 0.624 . . . . . . . A 26 VAL HG23 . 30938 1 247 . 1 . 1 26 26 VAL CA C 13 62.166 . . . . . . . A 26 VAL CA . 30938 1 248 . 1 . 1 26 26 VAL CB C 13 35.542 . . . . . . . A 26 VAL CB . 30938 1 249 . 1 . 1 26 26 VAL CG1 C 13 21.967 . . . . . . . A 26 VAL CG1 . 30938 1 250 . 1 . 1 26 26 VAL CG2 C 13 22.041 . . . . . . . A 26 VAL CG2 . 30938 1 251 . 1 . 1 26 26 VAL N N 15 124.425 . . . . . . . A 26 VAL N . 30938 1 252 . 1 . 1 27 27 CYS H H 1 7.982 . . . . . . . A 27 CYS H . 30938 1 253 . 1 . 1 27 27 CYS HA H 1 5.093 . . . . . . . A 27 CYS HA . 30938 1 254 . 1 . 1 27 27 CYS HB2 H 1 3.032 . . . . . . . A 27 CYS HB2 . 30938 1 255 . 1 . 1 27 27 CYS HB3 H 1 2.726 . . . . . . . A 27 CYS HB3 . 30938 1 256 . 1 . 1 27 27 CYS CA C 13 55.831 . . . . . . . A 27 CYS CA . 30938 1 257 . 1 . 1 27 27 CYS CB C 13 43.174 . . . . . . . A 27 CYS CB . 30938 1 258 . 1 . 1 27 27 CYS N N 15 122.985 . . . . . . . A 27 CYS N . 30938 1 259 . 1 . 1 28 28 TYR H H 1 9.777 . . . . . . . A 28 TYR H . 30938 1 260 . 1 . 1 28 28 TYR HA H 1 5.215 . . . . . . . A 28 TYR HA . 30938 1 261 . 1 . 1 28 28 TYR HB2 H 1 2.833 . . . . . . . A 28 TYR HB2 . 30938 1 262 . 1 . 1 28 28 TYR HB3 H 1 2.833 . . . . . . . A 28 TYR HB3 . 30938 1 263 . 1 . 1 28 28 TYR HE1 H 1 6.831 . . . . . . . A 28 TYR HE1 . 30938 1 264 . 1 . 1 28 28 TYR HE2 H 1 6.831 . . . . . . . A 28 TYR HE2 . 30938 1 265 . 1 . 1 28 28 TYR CA C 13 58.670 . . . . . . . A 28 TYR CA . 30938 1 266 . 1 . 1 28 28 TYR CB C 13 45.279 . . . . . . . A 28 TYR CB . 30938 1 267 . 1 . 1 28 28 TYR N N 15 126.823 . . . . . . . A 28 TYR N . 30938 1 268 . 1 . 1 29 29 LYS H H 1 9.358 . . . . . . . A 29 LYS H . 30938 1 269 . 1 . 1 29 29 LYS HA H 1 4.655 . . . . . . . A 29 LYS HA . 30938 1 270 . 1 . 1 29 29 LYS HB2 H 1 1.946 . . . . . . . A 29 LYS HB2 . 30938 1 271 . 1 . 1 29 29 LYS HB3 H 1 1.947 . . . . . . . A 29 LYS HB3 . 30938 1 272 . 1 . 1 29 29 LYS HG2 H 1 1.256 . . . . . . . A 29 LYS HG2 . 30938 1 273 . 1 . 1 29 29 LYS HG3 H 1 1.414 . . . . . . . A 29 LYS HG3 . 30938 1 274 . 1 . 1 29 29 LYS HD2 H 1 1.730 . . . . . . . A 29 LYS HD2 . 30938 1 275 . 1 . 1 29 29 LYS HD3 H 1 1.665 . . . . . . . A 29 LYS HD3 . 30938 1 276 . 1 . 1 29 29 LYS HE2 H 1 3.005 . . . . . . . A 29 LYS HE2 . 30938 1 277 . 1 . 1 29 29 LYS HE3 H 1 3.005 . . . . . . . A 29 LYS HE3 . 30938 1 278 . 1 . 1 29 29 LYS HZ1 H 1 7.577 . . . . . . . A 29 LYS HZ1 . 30938 1 279 . 1 . 1 29 29 LYS HZ2 H 1 7.577 . . . . . . . A 29 LYS HZ2 . 30938 1 280 . 1 . 1 29 29 LYS HZ3 H 1 7.577 . . . . . . . A 29 LYS HZ3 . 30938 1 281 . 1 . 1 29 29 LYS CA C 13 56.389 . . . . . . . A 29 LYS CA . 30938 1 282 . 1 . 1 29 29 LYS CB C 13 35.211 . . . . . . . A 29 LYS CB . 30938 1 283 . 1 . 1 29 29 LYS CG C 13 25.016 . . . . . . . A 29 LYS CG . 30938 1 284 . 1 . 1 29 29 LYS CD C 13 29.719 . . . . . . . A 29 LYS CD . 30938 1 285 . 1 . 1 29 29 LYS CE C 13 42.315 . . . . . . . A 29 LYS CE . 30938 1 286 . 1 . 1 29 29 LYS N N 15 122.035 . . . . . . . A 29 LYS N . 30938 1 287 . 1 . 1 30 30 ASN H H 1 9.692 . . . . . . . A 30 ASN H . 30938 1 288 . 1 . 1 30 30 ASN HA H 1 4.416 . . . . . . . A 30 ASN HA . 30938 1 289 . 1 . 1 30 30 ASN HB2 H 1 3.222 . . . . . . . A 30 ASN HB2 . 30938 1 290 . 1 . 1 30 30 ASN HB3 H 1 2.957 . . . . . . . A 30 ASN HB3 . 30938 1 291 . 1 . 1 30 30 ASN HD21 H 1 7.044 . . . . . . . A 30 ASN HD21 . 30938 1 292 . 1 . 1 30 30 ASN HD22 H 1 7.783 . . . . . . . A 30 ASN HD22 . 30938 1 293 . 1 . 1 30 30 ASN CA C 13 54.676 . . . . . . . A 30 ASN CA . 30938 1 294 . 1 . 1 30 30 ASN CB C 13 37.602 . . . . . . . A 30 ASN CB . 30938 1 295 . 1 . 1 30 30 ASN N N 15 127.305 . . . . . . . A 30 ASN N . 30938 1 296 . 1 . 1 30 30 ASN ND2 N 15 112.861 . . . . . . . A 30 ASN ND2 . 30938 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 30938 _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Height Volume K29HN-K29HA 9.358 4.649 1.30E+05 1.10E+06 bx N30HN-N30HA 9.690 4.413 7.75E+05 6.28E+06 bx G1HN-G1HA1 8.610 4.025 2.78E+05 2.27E+06 bx F2HN-F2HA 8.218 5.180 2.11E+05 1.73E+06 bx K23HN-K23HA 9.579 4.615 5.59E+04 5.14E+05 bx K23HN-K23QE 9.585 2.781 5.38E+03 5.42E+04 bx K23HN-K23QB 9.576 1.830 1.94E+05 1.66E+06 bx S7HN-S7HB2 8.794 4.068 2.06E+05 1.78E+06 bx E6HN-E6HA 7.775 4.596 1.30E+05 1.07E+06 bx E6HN-E6HG2 7.772 2.572 2.53E+04 2.13E+05 bx E6HN-E6HG3 7.772 2.452 1.77E+04 1.48E+05 bx E6HN-E6HB2 7.774 1.849 7.10E+04 5.97E+05 bx E6HN-E6HB3 7.771 1.747 8.86E+04 7.37E+05 bx G5HN-G5HA1 8.803 4.136 1.89E+05 1.60E+06 bx G5HN-G5HA2 8.803 3.685 3.29E+05 2.78E+06 bx C8HN-C8HA 8.166 5.309 9.76E+04 8.33E+05 bx C8HN-C8HB2 8.161 3.282 3.24E+04 2.74E+05 bx C8HN-C8HB3 8.163 3.192 5.12E+04 4.35E+05 bx V9HN-V9HB 7.964 1.681 3.92E+05 3.24E+06 bx V9HN-V9QG1 7.961 0.976 3.92E+05 3.17E+06 bx V9HN-V9QG2 7.964 0.326 9.77E+04 7.89E+05 bx Y10HN-Y10HA 8.269 4.685 1.47E+05 1.23E+06 bx Y10HN-Y10HB2 8.271 3.254 7.38E+04 6.27E+05 bx Y10HN-Y10HB3 8.270 2.810 1.79E+05 1.52E+06 bx I11HN-I11QD1 7.560 0.911 3.19E+04 2.69E+05 bx I11HN-I11HG12 7.558 1.455 9.48E+04 7.96E+05 bx I11HN-I11HG13 7.558 1.106 1.34E+05 1.13E+06 bx I11HN-I11QG2 7.560 1.003 6.16E+04 5.17E+05 bx Y28HN-Y28HA 9.778 5.221 1.48E+05 1.22E+06 bx C4HN-C4HA 8.585 4.598 1.14E+05 9.44E+05 bx C4HN-C4HB3 8.587 3.108 2.94E+05 2.46E+06 bx C13HN-C13HA 8.542 4.233 1.56E+05 1.26E+06 bx C13HN-C13HB2 8.542 2.979 1.05E+05 8.55E+05 bx C13HN-C13HB3 8.542 2.717 3.13E+05 2.59E+06 bx G19HN-G19HA1 8.247 4.259 1.11E+05 9.38E+05 bx G19HN-G19HA2 8.247 3.790 8.62E+04 7.24E+05 bx C20HN-C20HA 8.006 5.020 1.13E+05 9.50E+05 bx S21HN-S21HA 9.526 4.728 1.11E+04 1.12E+05 bx S21HN-S21QB 9.522 3.860 1.40E+05 1.19E+06 bx A16HN-T15HB 7.680 4.480 7.16E+04 5.99E+05 bx A16HN-T15HA 7.682 4.137 1.25E+05 1.01E+06 bx C22HN-C22HA 8.889 4.687 1.16E+05 9.62E+05 bx C22HN-C22HB2 8.892 3.186 3.74E+05 3.10E+06 bx C22HN-C22HB3 8.894 3.103 3.55E+05 2.96E+06 bx C27HN-C27HA 7.982 5.092 1.35E+05 1.11E+06 bx C27HN-C27HB2 7.983 3.035 4.52E+05 3.75E+06 bx C27HN-C27HB3 7.983 2.724 1.41E+05 1.16E+06 bx G1HN-G1HA2 8.610 3.447 5.11E+05 4.17E+06 bx N30HN-N30HB3 9.691 2.954 7.41E+04 6.12E+05 bx N30HN-N30HB2 9.691 3.230 5.44E+04 4.48E+05 bx K29HN-K29QB 9.356 1.950 2.96E+05 2.48E+06 bx K29HN-K29HG3 9.358 1.411 2.23E+04 1.86E+05 bx K29HN-K29HG2 9.358 1.250 2.55E+04 2.16E+05 bx K29HN-K29HD2 9.359 1.736 7.00E+03 5.84E+04 bx K29HN-K29HD3 9.359 1.663 8.55E+03 7.28E+04 bx K23HN-K23HD2 9.580 1.493 3.93E+03 3.15E+04 bx K23HN-K23HD3 9.581 1.401 2.65E+04 2.24E+05 bx F2HN-F2HB2 8.222 3.232 1.17E+05 9.87E+05 bx F2HN-F2HB3 8.220 3.041 2.71E+05 2.30E+06 bx K25HN-K25HA 8.232 3.521 6.58E+05 5.42E+06 bx K25HN-K25QE 8.238 2.955 1.30E+04 1.16E+05 bx V26HN-V26HA 8.026 4.291 5.84E+03 1.19E+05 bx V26HN-V26QG1 8.029 0.955 1.28E+05 1.07E+06 bx V26HN-V26QG2 8.027 0.634 2.44E+04 2.08E+05 bx Y28HN-Y28QB 9.773 2.834 3.12E+05 2.56E+06 bx P3HD2-P3HA 3.948 4.094 9.40E+05 8.73E+06 bx P3HD3-P3HA 3.677 4.118 3.89E+05 3.59E+06 bx P3HG2-P3HA 1.972 4.121 6.77E+04 5.62E+05 bx P3HB2-P3HA 1.882 4.126 7.83E+04 6.86E+05 bx P12HD2-P12HA 3.747 4.387 2.62E+04 2.15E+05 bx P12HD3-P12HA 3.517 4.387 1.83E+04 1.55E+05 bx P12HB2-P12HA 2.280 4.392 1.85E+05 1.54E+06 bx P12QG-P12HA 1.869 4.387 7.90E+04 6.52E+05 bx P12HB3-P12HA 1.576 4.392 6.52E+04 5.37E+05 bx I18HN-I18HA 7.632 4.258 6.47E+04 5.68E+05 bx A17HN-A17QB 7.920 1.410 6.79E+05 5.49E+06 bx A16HN-A16HA 7.683 4.578 2.04E+05 1.68E+06 bx A16HN-A16QB 7.683 1.422 5.72E+05 4.59E+06 bx I18HN-I18HB 7.633 2.042 7.27E+04 6.06E+05 bx I18HN-I18HG12 7.633 1.546 6.79E+04 5.67E+05 bx I18HN-I18HG13 7.632 1.167 1.00E+05 8.40E+05 bx I18HN-I18QG2 7.632 0.904 6.78E+04 5.60E+05 bx C20HN-C20HB2 8.005 3.566 2.68E+05 2.26E+06 bx C20HN-C20HB3 8.005 2.568 9.05E+04 7.54E+05 bx K25HN-K25HB2 8.236 2.289 5.14E+04 4.28E+05 bx K25HN-K25HB3 8.236 1.938 6.54E+04 5.46E+05 bx K25HN-K25HD2 8.236 1.612 6.05E+03 5.22E+04 bx K25HN-K25QG 8.234 1.298 2.06E+05 1.74E+06 bx V26HN-V26HB 8.027 2.053 2.41E+05 2.07E+06 bx S24HN-S24HA 9.288 3.937 6.76E+05 5.56E+06 bx S24HN-S24HB2 9.288 3.866 1.06E+05 9.44E+05 bx S24HN-S24HB3 9.288 4.079 5.13E+04 4.17E+05 bx K23HN-K23HG3 9.579 1.263 2.27E+04 1.92E+05 bx K23HN-K23HG2 9.581 1.394 2.61E+04 2.19E+05 bx P3HB3-P3HA 2.064 4.118 1.65E+05 1.34E+06 bx P3HG3-P3HA 2.105 4.118 9.75E+04 8.20E+05 bx Y10HN-C8HA 8.270 5.305 3.79E+04 3.19E+05 bx I11HN-C8HA 7.556 5.306 6.97E+04 5.77E+05 bx V9HN-C8HB2 7.962 3.279 2.47E+04 2.07E+05 bx V9HN-C8HB3 7.965 3.186 2.13E+04 1.79E+05 bx Y10HN-V9HA 8.268 3.469 9.78E+04 8.06E+05 bx Y10HN-V9HB 8.268 1.686 2.16E+05 1.83E+06 bx Y10HN-V9QG1 8.268 0.981 4.98E+04 4.19E+05 bx Y10HN-V9QG2 8.270 0.326 8.76E+04 7.29E+05 bx I11HN-Y10HB2 7.556 3.259 5.84E+04 4.92E+05 bx I11HN-Y10HB3 7.556 2.813 9.22E+04 7.76E+05 bx P12HD2-I11HA 3.752 4.677 4.09E+05 3.46E+06 bx P12HD3-I11HA 3.518 4.674 2.16E+05 1.81E+06 bx A16HN-C13HA 7.683 4.243 3.41E+04 2.76E+05 bx F2HN-G1HA1 8.218 4.035 6.31E+04 5.35E+05 bx F2HN-G1HA2 8.218 3.448 6.16E+04 5.27E+05 bx P3HD2-F2HA 3.951 5.178 4.20E+05 3.48E+06 bx P3HD3-F2HA 3.685 5.176 2.95E+05 2.47E+06 bx P3HD2-F2HB2 3.943 3.244 3.97E+04 3.38E+05 bx P3HD3-F2HB2 3.681 3.238 1.29E+05 1.07E+06 bx P3HD2-F2HB3 3.946 3.046 1.49E+04 1.23E+05 bx P3HD3-F2HB3 3.684 3.042 3.08E+04 2.61E+05 bx Y10QD-Y10HA 7.149 4.686 2.53E+05 2.14E+06 bx Y10QD-Y10HB2 7.149 3.256 2.71E+05 2.31E+06 bx Y10QD-Y10HB3 7.149 2.811 3.57E+05 3.05E+06 bx F14QD-F14HA 7.330 4.535 1.24E+05 1.03E+06 bx F14QD-F14HB2 7.330 3.352 1.53E+05 1.29E+06 bx F14QD-F14HB3 7.330 3.201 1.80E+05 1.50E+06 bx F14QE-F14HA 7.390 4.544 3.56E+04 2.90E+05 bx F14QE-F14HB2 7.390 3.361 3.90E+04 3.14E+05 bx F14QE-F14HB3 7.388 3.201 1.30E+05 1.14E+06 bx Y28HN-S21HN 9.776 9.526 1.86E+05 1.56E+06 bx Y28HN-K29HN 9.776 9.359 2.87E+04 2.35E+05 bx Y28HN-C4HN 9.776 8.593 1.53E+04 1.27E+05 bx Y28HN-C27HN 9.774 7.983 2.10E+04 1.76E+05 bx N30HN-G1HN 9.691 8.613 1.85E+05 1.50E+06 bx N30HN-F2HN 9.690 8.220 2.02E+04 1.62E+05 bx K23HN-S24HN 9.579 9.287 1.99E+04 1.55E+05 bx K23HN-C22HN 9.579 8.902 2.06E+04 1.71E+05 bx K23HN-K25HN 9.579 8.242 2.70E+04 2.22E+05 bx K23HN-V26HN 9.579 8.019 1.39E+05 1.17E+06 bx S21HN-C22HN 9.524 8.891 1.99E+04 1.65E+05 bx S21HN-C20HN 9.520 8.007 1.95E+04 1.58E+05 bx K29HN-Y28HA 9.358 5.221 6.81E+05 5.71E+06 bx C4HN-Y28HA 8.584 5.215 2.54E+05 2.08E+06 bx S21HN-C20HA 9.522 5.015 6.12E+05 5.13E+06 bx Y28HN-C27HA 9.779 5.093 6.38E+05 5.41E+06 bx ?-? 9.358 8.600 6.48E+04 5.42E+05 bx K29HN-F2HN 9.359 8.222 1.97E+05 1.64E+06 bx S24HN-K25HN 9.287 8.235 1.82E+05 1.47E+06 bx S24HN-V26HN 9.288 8.029 1.87E+04 1.55E+05 bx G5HN-C4HN 8.803 8.587 2.21E+05 1.78E+06 bx G5HN-E6HN 8.803 7.773 3.62E+05 2.98E+06 bx S7HN-C8HN 8.797 8.163 1.89E+04 1.58E+05 bx G5HN-C27HN 8.801 7.983 2.77E+04 2.25E+05 bx G1HN-F2HN 8.611 8.219 1.68E+05 1.36E+06 bx C4HN-E6HN 8.587 7.773 3.98E+04 3.25E+05 bx Y10HN-V9HN 8.268 7.966 2.01E+05 1.68E+06 bx Y10HN-I11HN 8.267 7.563 4.79E+05 4.00E+06 bx Y10HN-Y10QD 8.270 7.149 7.41E+04 6.17E+05 bx K25HN-V26HN 8.237 8.025 1.76E+05 1.43E+06 bx F2HN-F2QD 8.221 7.395 5.50E+04 4.66E+05 bx C8HN-V9HN 8.165 7.964 1.86E+05 1.55E+06 bx C20HN-I18HN 8.006 7.631 3.47E+04 2.94E+05 bx V9HN-I11HN 7.963 7.557 3.74E+04 3.10E+05 bx A17HN-A16HN 7.920 7.683 3.10E+05 2.53E+06 bx K23HN-C27HA 9.581 5.092 6.99E+04 5.84E+05 bx N30HN-K29HA 9.691 4.654 7.33E+05 5.99E+06 bx S24HN-K23HA 9.287 4.627 8.63E+05 7.05E+06 bx C22HN-S21HA 8.892 4.755 1.68E+05 1.39E+06 bx S7HN-E6HA 8.791 4.610 8.02E+05 6.64E+06 bx S7HN-E6HG3 8.791 2.454 7.82E+04 6.57E+05 bx S7HN-E6HG2 8.793 2.565 9.38E+04 7.92E+05 bx S7HN-E6HB3 8.793 1.750 7.97E+04 6.68E+05 bx G1HN-N30HA 8.613 4.419 2.21E+05 1.80E+06 bx G1HN-N30HB2 8.613 3.221 5.49E+04 4.54E+05 bx G1HN-N30HB3 8.613 2.955 4.56E+04 3.75E+05 bx C4HN-P3HB2 8.588 1.882 5.87E+04 4.92E+05 bx C4HN-P3HB3 8.587 2.073 6.91E+04 5.85E+05 bx G5HN-C4HB2 8.804 3.294 3.31E+04 2.73E+05 bx G5HN-C4HB3 8.802 3.105 4.61E+04 3.88E+05 bx E6HN-G5HA1 7.771 4.120 6.79E+04 5.68E+05 bx E6HN-G5HA2 7.769 3.686 9.87E+04 8.20E+05 bx C8HN-S7HA 8.163 4.733 2.84E+05 2.40E+06 bx C8HN-S7HB2 8.161 4.066 9.76E+04 8.30E+05 bx C8HN-S7HB3 8.161 3.939 8.99E+04 7.56E+05 bx C8HN-V9QG1 8.159 0.976 8.00E+04 6.59E+05 bx C8HN-V26QG2 8.159 0.624 1.44E+04 1.18E+05 bx C27HN-V26QG2 7.984 0.624 3.21E+05 2.59E+06 bx E6HN-V26QG2 7.773 0.622 2.15E+04 1.76E+05 bx C4HN-V26QG2 8.586 0.627 3.51E+04 2.88E+05 bx G5HN-V26QG2 8.802 0.627 2.28E+04 1.87E+05 bx C22HN-S21QB 8.891 3.854 2.58E+05 2.14E+06 bx P12HD2-I11QG2 3.750 1.004 5.92E+04 4.83E+05 bx P12HD3-I11QG2 3.516 1.004 8.97E+04 7.62E+05 bx C13HN-P12HB2 8.541 2.283 1.07E+05 8.82E+05 bx C13HN-P12QG 8.543 1.868 2.43E+04 1.98E+05 bx C13HN-P12HB3 8.544 1.571 1.14E+05 9.34E+05 bx C13HN-P12HA 8.545 4.394 6.13E+05 4.94E+06 bx A17HN-A16HA 7.920 4.580 1.03E+05 8.50E+05 bx I18HN-A17HA 7.632 4.311 1.14E+05 9.69E+05 bx I18HN-A17QB 7.632 1.406 6.03E+04 4.92E+05 bx ?-? 8.003 4.270 1.24E+05 1.19E+06 bx C20HN-G19HA2 8.008 3.791 8.39E+04 7.07E+05 bx S21HN-C20HB2 9.525 3.563 5.53E+04 4.69E+05 bx S21HN-C20HB3 9.523 2.566 1.88E+05 1.58E+06 bx ?-? 9.777 5.012 2.31E+04 2.24E+05 bx Y28HN-C20HB2 9.777 3.567 1.51E+04 1.32E+05 bx Y28HN-C20HB3 9.777 2.571 6.32E+04 5.36E+05 bx K29HN-Y28QB 9.356 2.832 3.04E+05 2.51E+06 bx Y28HN-C22HA 9.778 4.689 4.46E+04 3.82E+05 bx Y28HN-C27HB3 9.778 2.729 6.53E+04 5.57E+05 bx Y28HN-C27HB2 9.776 3.035 2.74E+04 2.33E+05 bx N30HN-K29QB 9.693 1.948 7.14E+04 5.86E+05 bx N30HN-K29HG3 9.691 1.415 8.08E+04 6.69E+05 bx N30HN-K29HG2 9.691 1.261 6.90E+04 5.74E+05 bx S24HN-K23QB 9.286 1.830 6.73E+04 5.72E+05 bx S24HN-K23HD3 9.288 1.407 4.26E+04 3.53E+05 bx S24HN-K23HG3 9.284 1.273 4.27E+04 3.59E+05 bx K23HN-C22HA 9.578 4.691 6.07E+05 5.10E+06 bx K23HN-C22HB2 9.581 3.181 3.76E+04 3.20E+05 bx K23HN-C22HB3 9.581 3.116 3.16E+04 2.73E+05 bx C8HN-K25QG 8.161 1.296 7.90E+03 6.54E+04 bx C8HN-V9HB 8.159 1.680 1.47E+04 1.22E+05 bx K25HN-K25HD3 8.232 1.672 4.18E+02 -3.37E+02 bx C8HN-K25HB2 8.162 2.275 1.05E+04 9.13E+04 bx C8HN-K25HA 8.163 3.517 4.48E+04 3.85E+05 bx C8HN-K25HB3 8.161 1.935 2.88E+04 2.46E+05 bx C8HN-V26HA 8.164 4.281 1.64E+05 1.39E+06 bx G1HN-Y28QB 8.611 2.832 1.07E+05 8.80E+05 bx S21HN-Y28QB 9.522 2.829 3.34E+04 2.79E+05 bx K23HN-V26HB 9.576 2.059 2.07E+04 1.73E+05 bx K23HN-V26QG1 9.578 0.963 1.37E+04 1.14E+05 bx S21HN-K29HB2 9.525 1.943 3.90E+04 3.27E+05 bx S21HN-K29HG3 9.523 1.410 1.42E+04 1.20E+05 bx G5HN-C27HB2 8.803 3.033 2.55E+04 2.23E+05 bx G5HN-P3HB3 8.804 2.076 4.73E+04 3.99E+05 bx C4HN-C27HB3 8.587 2.733 2.67E+04 2.21E+05 bx C4HN-P3HD3 8.585 3.683 2.49E+04 2.04E+05 bx C4HN-P3HA 8.587 4.120 8.76E+05 7.17E+06 bx Y10HN-I11HG13 8.268 1.092 2.01E+04 1.69E+05 bx Y10HN-I11HG12 8.270 1.448 1.28E+04 1.11E+05 bx Y10HN-I11HB 8.265 1.898 1.22E+04 1.03E+05 bx ?-? 8.003 0.917 1.85E+04 1.61E+05 bx C20HN-I18HG13 8.005 1.180 1.72E+04 1.48E+05 bx C20HN-A16QB 8.006 1.408 4.30E+04 3.59E+05 bx C20HN-I18HG12 8.004 1.545 4.14E+04 3.45E+05 bx C27HN-V26HA 7.983 4.286 8.66E+05 7.07E+06 bx G19HN-I18HN 8.244 7.635 3.86E+04 3.25E+05 bx C27HN-V26HB 7.983 2.059 5.03E+04 4.11E+05 bx C27HN-S7HA 7.981 4.731 1.29E+05 1.06E+06 bx I11HN-V9QG2 7.554 0.320 1.57E+04 1.30E+05 bx C20HN-A16HA 8.005 4.583 1.38E+05 1.15E+06 bx V26HN-K25HB2 8.027 2.277 2.54E+04 2.21E+05 bx V26HN-K25QG 8.024 1.295 1.81E+04 1.54E+05 bx V26HN-K25HB3 8.031 1.932 1.53E+04 1.32E+05 bx V26HN-K25HA 8.031 3.522 9.35E+04 8.00E+05 bx C22HN-C27HA 8.893 5.093 1.51E+04 1.26E+05 bx C22HN-C27HB3 8.893 2.716 2.19E+04 1.81E+05 bx K29HN-P3HA 9.358 4.125 5.56E+04 4.59E+05 bx ?-? 9.359 3.688 5.63E+03 4.55E+04 bx E6HN-P3HB3 7.772 2.068 8.55E+03 7.33E+04 bx V9HN-S7HB2 7.964 4.064 3.78E+04 3.10E+05 bx Y10QE-Y10HA 6.831 4.682 5.72E+04 4.98E+05 bx Y10QE-Y10HB3 6.826 2.817 7.51E+05 6.35E+06 bx Y10QE-Y10HB2 6.832 3.254 3.46E+04 2.81E+05 bx Y10QD-Y10QE 7.149 6.830 1.56E+06 1.21E+07 bx Y10QD-V9QG2 7.148 0.325 1.12E+05 9.34E+05 bx Y10QD-V9HB 7.150 1.681 7.48E+04 6.39E+05 bx Y10QD-V9QG1 7.148 0.977 3.43E+04 2.96E+05 bx Y10QE-V9QG2 6.834 0.327 9.74E+04 8.11E+05 bx Y10QE-V9QG1 6.829 0.968 1.42E+05 1.15E+06 bx Y10QE-V9HB 6.832 1.675 1.80E+04 1.54E+05 bx Y28QE-V26QG2 6.832 0.622 2.92E+05 2.30E+06 bx Y28HN-Y28QE 9.777 6.834 8.22E+04 6.88E+05 bx K23HN-Y28QE 9.579 6.834 1.18E+05 9.75E+05 bx K29HN-Y28QE 9.357 6.831 6.43E+04 5.29E+05 bx C4HN-Y28QE 8.588 6.831 3.24E+04 2.66E+05 bx G1HN-Y28QE 8.612 6.831 2.80E+04 2.29E+05 bx F2HN-Y28QE 8.219 6.830 6.30E+04 5.29E+05 bx V26HN-Y28QE 8.027 6.831 4.71E+04 3.96E+05 bx C27HN-Y28QE 7.980 6.834 2.02E+04 1.64E+05 bx I11HN-Y10QD 7.556 7.153 1.20E+04 1.05E+05 bx Y28QE-Y28HA 6.828 5.212 2.51E+05 2.07E+06 bx Y28QE-Y28QB 6.828 2.837 1.13E+06 9.04E+06 bx F2HN-Y28QB 8.219 2.836 6.07E+04 5.10E+05 bx E6HN-C27HB2 7.774 3.029 7.22E+04 6.16E+05 bx E6HN-C27HB3 7.772 2.731 1.97E+04 1.61E+05 bx A16HN-C20HB3 7.686 2.569 8.93E+03 7.37E+04 bx A16HN-C20HB2 7.684 3.562 1.49E+04 1.24E+05 bx A16HN-F14HB3 7.683 3.199 1.76E+04 1.43E+05 bx S24HN-K25HA 9.286 3.527 1.41E+04 1.16E+05 bx K23HN-K25HA 9.579 3.530 8.60E+03 7.38E+04 bx Y28HN-S21QB 9.778 3.857 1.56E+04 1.34E+05 bx K29HN-F2HB2 9.361 3.240 2.38E+04 1.99E+05 bx C4HN-C20HB3 8.586 2.566 1.31E+04 1.08E+05 bx V26HN-S24HB3 8.028 4.082 1.12E+04 9.76E+04 bx V26HN-S24HA 8.026 3.931 1.53E+04 1.34E+05 bx V26HN-S24HB2 8.027 3.875 1.47E+04 1.31E+05 bx N30HN-G1HA2 9.693 3.449 1.21E+04 9.96E+04 bx ?-? 9.696 4.023 6.70E+03 5.47E+04 bx C27HN-E6HB2 7.981 1.849 2.47E+04 2.07E+05 bx C27HN-E6HB3 7.984 1.747 1.90E+04 1.68E+05 bx V9HN-K25QG 7.959 1.298 8.04E+03 6.76E+04 bx V9HN-K25HB3 7.962 1.931 2.34E+04 1.95E+05 bx V9HN-K25HB2 7.963 2.280 7.50E+03 6.32E+04 bx Y28HN-K23QB 9.774 1.822 1.21E+04 1.05E+05 bx Y28HN-K23HD3 9.780 1.401 1.13E+04 9.37E+04 bx K25HN-S24HA 8.235 3.943 3.13E+05 2.58E+06 bx K25HN-S24HB3 8.237 4.081 3.87E+04 3.32E+05 bx F2HN-P3HD3 8.215 3.688 1.64E+04 1.32E+05 bx F2HN-P3HA 8.213 4.120 8.75E+03 7.05E+04 bx N30HD22-N30HD21 7.784 7.040 4.61E+06 3.62E+07 bx N30HD22-N30HB3 7.784 2.956 1.57E+05 1.28E+06 bx N30HD21-N30HB3 7.044 2.963 5.23E+04 4.37E+05 bx N30HD21-N30HB2 7.047 3.213 1.30E+04 1.01E+05 bx C8HN-V9QG2 8.160 0.320 7.72E+03 6.39E+04 bx A17HN-T15HA 7.919 4.132 7.41E+04 5.95E+05 bx I18HN-T15HA 7.632 4.137 2.14E+04 1.76E+05 bx F2QD-P3HB2 7.393 1.876 3.40E+04 2.83E+05 bx F14QD-P12QG 7.337 1.872 3.06E+04 2.51E+05 bx F14QE-P12HB3 7.393 1.571 1.37E+04 1.16E+05 bx F14QD-P12HB3 7.333 1.569 2.79E+04 2.33E+05 bx F14QE-A16QB 7.394 1.416 1.87E+04 1.49E+05 bx F14QD-A16QB 7.334 1.416 2.48E+04 2.05E+05 bx A16HN-T15QG2 7.683 1.223 4.74E+04 3.80E+05 bx F14QE-T15QG2 7.395 1.225 2.97E+04 2.41E+05 bx F14QD-T15QG2 7.333 1.223 5.29E+04 4.27E+05 bx F2QD-F2HA 7.392 5.178 1.21E+05 9.89E+05 bx F2QE-F2HA 7.429 5.176 3.09E+04 2.46E+05 bx F2QE-F2HB2 7.429 3.238 5.13E+04 4.10E+05 bx F2QD-F2HB2 7.390 3.242 1.95E+05 1.64E+06 bx F2QE-F2HB3 7.429 3.042 4.26E+04 3.42E+05 bx F2QD-F2HB3 7.392 3.042 1.85E+05 1.53E+06 bx F2QE-P3HD3 7.430 3.683 2.11E+04 1.71E+05 bx F2QD-P3HD3 7.393 3.683 6.98E+04 5.73E+05 bx Y28HN-V26QG2 9.782 0.623 1.10E+04 8.89E+04 bx K23HN-V26QG2 9.580 0.620 1.08E+04 8.98E+04 bx N30HN-Y28QB 9.694 2.834 2.53E+04 2.10E+05 bx Y28HN-P3HA 9.779 4.121 1.50E+04 1.24E+05 bx K23HN-Y28QB 9.579 2.833 2.50E+04 2.09E+05 bx S21HN-C27HB3 9.523 2.723 3.22E+04 2.73E+05 bx S21HN-C27HA 9.522 5.098 1.21E+04 1.26E+05 bx S21HN-K29QE 9.522 3.005 1.34E+04 1.18E+05 bx K29HN-C20HA 9.360 5.017 1.36E+04 1.11E+05 bx K29HN-C20HB3 9.360 2.569 1.10E+04 8.89E+04 bx C13HN-A16QB 8.542 1.421 2.30E+04 1.86E+05 bx F2HN-N30HB3 8.221 2.957 2.17E+04 1.95E+05 bx F2HN-N30HA 8.218 4.418 1.53E+04 1.28E+05 bx V26HN-K23QB 8.026 1.827 1.69E+04 1.49E+05 bx C20HN-C13HB3 8.004 2.712 2.03E+04 1.90E+05 bx C20HN-C13HB2 8.006 2.975 1.53E+04 1.34E+05 bx V9HN-Y10HB3 7.963 2.808 1.06E+04 8.56E+04 bx ?-? 7.919 3.558 9.29E+03 7.92E+04 bx ?-? 7.920 2.975 9.72E+03 7.67E+04 bx E6HN-C4HB3 7.770 3.097 4.11E+04 3.54E+05 bx E6HN-C4HB2 7.769 3.291 1.78E+04 1.44E+05 bx N30HD22-K29HG3 7.780 1.422 2.35E+04 1.96E+05 bx N30HD22-K29HG2 7.783 1.258 4.45E+04 3.61E+05 bx ?-? 7.783 1.939 1.13E+04 9.33E+04 bx A17HN-T15QG2 7.921 1.211 1.65E+04 1.39E+05 bx A17HN-I18QG2 7.919 0.905 1.87E+04 1.53E+05 bx V9HN-I11HG13 7.961 1.095 9.87E+03 7.70E+04 bx K25HN-V26QG1 8.237 0.959 1.94E+04 1.65E+05 bx I11HN-P12HD2 7.556 3.756 1.75E+04 1.45E+05 bx I11HN-P12HA 7.556 4.391 8.16E+03 6.59E+04 bx Y10QD-I11HG13 7.146 1.095 1.47E+04 1.25E+05 bx Y10QD-I11QD1 7.148 0.901 1.53E+04 1.24E+05 bx Y10QD-I11HG12 7.150 1.451 1.24E+04 1.07E+05 bx N30HD21-K29HG2 7.046 1.258 2.78E+04 2.24E+05 bx N30HD21-K29HG3 7.044 1.414 1.37E+04 1.14E+05 bx F14QD-T15HA 7.330 4.131 2.58E+04 2.09E+05 bx F14QD-C13HA 7.330 4.246 1.40E+04 1.22E+05 bx Y28QE-G1HA2 6.832 3.445 1.01E+05 8.11E+05 bx Y28QE-P3HD2 6.830 3.962 1.96E+05 1.60E+06 bx Y28QE-P3HA 6.832 4.125 2.76E+05 2.20E+06 bx Y28QE-P3HD3 6.832 3.683 7.27E+04 5.67E+05 bx Y28QE-K23QB 6.832 1.826 5.91E+05 4.89E+06 bx Y28QE-K23HG3 6.832 1.273 4.53E+04 3.53E+05 bx Y28QE-K23HD3 6.830 1.403 8.43E+04 6.82E+05 bx ?-? 7.685 1.000 1.02E+04 8.15E+04 bx K23HN-V26HA 9.575 4.285 8.25E+03 6.53E+04 bx G1HN-K29HA 8.609 4.661 3.71E+04 3.08E+05 bx K25HN-K23HA 8.234 4.625 3.60E+04 3.03E+05 bx F14QE-I11QG2 7.394 1.001 1.45E+04 1.15E+05 bx F14QD-I11QG2 7.336 0.997 1.34E+04 1.09E+05 bx C13HN-C8HB3 8.544 3.184 1.02E+05 8.35E+05 bx C13HN-C8HB2 8.544 3.276 4.32E+04 3.52E+05 bx ?-? 9.693 5.026 1.96E+04 1.61E+05 bx S21HN-Y28HA 9.520 5.212 7.58E+03 6.17E+04 bx C4HN-K29HG3 8.590 1.413 8.71E+03 7.29E+04 bx ?-? 8.591 1.225 8.49E+03 7.32E+04 bx V26HN-V26HA 8.033 4.289 -1.48E+04 -7.56E+04 bx I11HN-I11HA 7.558 4.673 1.53E+05 1.28E+06 bx F14QE-I18QG2 7.392 0.907 2.85E+04 2.38E+05 bx F14QD-I18QG2 7.334 0.906 3.43E+04 2.81E+05 bx C27HN-E6HN 7.983 7.766 2.64E+04 2.01E+05 bx G5HN-C27HB3 8.806 2.729 1.03E+04 8.37E+04 bx S7HN-V26QG1 8.793 0.965 1.11E+04 9.40E+04 bx ?-? 8.792 1.410 7.43E+03 6.16E+04 bx C4HN-C4HB2 8.587 3.292 1.09E+05 9.05E+05 bx V9HN-V9HA 7.965 3.466 1.77E+05 1.43E+06 bx A17HN-A17HA 7.919 4.316 1.64E+05 1.34E+06 bx I18HN-A16HA 7.633 4.580 6.57E+03 5.32E+04 bx C13HN-C8HA 8.545 5.306 9.63E+03 7.76E+04 bx Y28QE-V26HB 6.831 2.058 6.77E+05 5.52E+06 bx C22HN-C13HN 8.893 8.550 1.46E+04 1.14E+05 bx C22HN-C13HB2 8.895 2.974 5.40E+03 4.28E+04 bx N30HN-K29HN 9.693 9.357 2.80E+04 2.15E+05 bx Y10HN-I11QD1 8.270 0.909 1.68E+04 1.49E+05 bx C20HN-T15HA 8.002 4.131 1.33E+04 1.10E+05 bx C4HN-C27HB2 8.587 3.029 4.77E+04 4.24E+05 bx C4HN-C27HN 8.587 7.980 1.68E+04 1.40E+05 bx I11HN-I11HB 7.557 1.892 1.19E+05 9.98E+05 bx K29QZ-K29HG2 7.577 1.256 8.15E+03 6.83E+04 bx K29QZ-K29HG3 7.578 1.413 1.67E+04 1.52E+05 bx K29QZ-K29QB 7.575 1.944 1.77E+04 1.64E+05 bx K29QZ-K29QE 7.576 3.005 8.95E+04 7.50E+05 bx K25QZ-K25QE 7.541 2.958 2.89E+04 2.33E+05 bx K25QZ-K25HB2 7.538 2.282 2.68E+03 2.21E+04 bx K25QZ-K25QG 7.535 1.302 2.98E+03 2.82E+04 bx K25QZ-K25HD2 7.539 1.600 4.88E+03 4.10E+04 bx K25QZ-K25HD3 7.539 1.665 5.56E+03 4.97E+04 bx K23QZ-K23HG3 7.364 1.268 -3.55E+03 -2.61E+04 bx K23QZ-K23HD3 7.366 1.405 -3.93E+03 -3.32E+04 bx K23QZ-K23HD2 7.366 1.489 -5.54E+03 -4.55E+04 bx K23QZ-K23QB 7.364 1.823 2.82E+03 2.83E+04 bx K23QZ-K23QE 7.364 2.778 -1.36E+04 -1.16E+05 bx ?-? 6.831 1.486 2.91E+04 2.43E+05 bx I11HN-P12HD3 7.559 3.519 1.43E+04 1.24E+05 bx F14QD-P12HB2 7.336 2.280 1.40E+04 1.16E+05 bx C13HN-P12HD2 8.546 3.748 5.85E+03 4.73E+04 bx C13HN-P12HD3 8.545 3.522 7.99E+03 6.47E+04 bx F14QD-P12HD3 7.332 3.517 9.49E+03 7.59E+04 bx S7HN-E6HB2 8.792 1.849 1.35E+05 1.16E+06 bx S7HN-S7HA 8.791 4.726 7.53E+04 6.39E+05 bx ?-? 7.682 3.335 9.80E+03 8.33E+04 bx S7HN-S7HB3 8.792 3.937 2.12E+05 1.75E+06 bx C13HN-A16HN 8.546 7.689 1.11E+04 8.81E+04 bx A16HN-C13HB2 7.683 2.984 9.04E+04 7.36E+05 bx A16HN-C13HB3 7.682 2.712 9.15E+04 7.52E+05 bx ?-? 7.682 0.912 1.07E+04 8.83E+04 bx ?-? 8.803 4.288 8.75E+03 7.10E+04 bx V9HN-S7HB3 7.962 3.938 3.89E+04 3.18E+05 bx V9HN-C8HA 7.963 5.308 2.41E+05 1.96E+06 bx K29HN-K29QE 9.359 3.001 1.82E+04 1.67E+05 bx ?-? 8.239 2.053 1.65E+04 1.38E+05 bx G19HN-I18HG12 8.246 1.545 9.25E+03 7.94E+04 bx C27HN-S7HB3 7.982 3.940 1.59E+04 1.34E+05 bx G5HN-P3HB2 8.802 1.879 1.45E+05 1.23E+06 bx ; 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 . . C 13 . . . . . . . . . . . 30938 1 2 . . N 15 . . . . . . . . . . . 30938 1 3 . . H 2 . . . . . . . . . . . 30938 1 stop_ save_