data_27567 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27567 _Entry.Title ; TatRBD:TAR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-01 _Entry.Accession_date 2018-08-01 _Entry.Last_release_date 2018-08-01 _Entry.Original_release_date 2018-08-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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_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 Vincent Pham . V. . . 27567 2 Carolina Salguero . . . . 27567 3 Shamsun Khan . N. . . 27567 4 Jennifer Meagher . . . . 27567 5 William Brown . . . . 27567 6 Nicolas Humbert . . . . 27567 7 Hughes 'de Rocquigny' . . . . 27567 8 Janet Smith . . . . 27567 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID spectral_peak_list 12 27567 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID . . 27567 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 . . 2018-11-15 . original BMRB . 27567 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27567 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural analyses of HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies molecular mimicry ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vincent Pham . V. . . 27567 1 2 Carolina Salguero . . . . 27567 1 3 Shamsun Khan . N. . . 27567 1 4 Jennifer Meagher . . . . 27567 1 5 William Brown . . . . 27567 1 6 Nicolas Humbert . . . . 27567 1 7 Hughes 'de Rocquigny' . . . . 27567 1 8 Janet Smith . . . . 27567 1 9 Victoria D'Souza . . . . 27567 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27567 _Assembly.ID 1 _Assembly.Name TatRBD:TAR _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'In complex with HIV_TAR_RNA.' _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 'Tat RBD' 1 $Tat_RNA_Binding_Domain A . yes native no no . . . 27567 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tat_RNA_Binding_Domain _Entity.Sf_category entity _Entity.Sf_framecode Tat_RNA_Binding_Domain _Entity.Entry_ID 27567 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tat_RNA_Binding_Domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GISYGRKKRRQRRRAHQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 27567 1 2 . ILE . 27567 1 3 . SER . 27567 1 4 . TYR . 27567 1 5 . GLY . 27567 1 6 . ARG . 27567 1 7 . LYS . 27567 1 8 . LYS . 27567 1 9 . ARG . 27567 1 10 . ARG . 27567 1 11 . GLN . 27567 1 12 . ARG . 27567 1 13 . ARG . 27567 1 14 . ARG . 27567 1 15 . ALA . 27567 1 16 . HIS . 27567 1 17 . GLN . 27567 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 27567 1 . ILE 2 2 27567 1 . SER 3 3 27567 1 . TYR 4 4 27567 1 . GLY 5 5 27567 1 . ARG 6 6 27567 1 . LYS 7 7 27567 1 . LYS 8 8 27567 1 . ARG 9 9 27567 1 . ARG 10 10 27567 1 . GLN 11 11 27567 1 . ARG 12 12 27567 1 . ARG 13 13 27567 1 . ARG 14 14 27567 1 . ALA 15 15 27567 1 . HIS 16 16 27567 1 . GLN 17 17 27567 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 27567 _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 $Tat_RNA_Binding_Domain . 11676 organism . HIV HIV . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . 27567 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 27567 _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 $Tat_RNA_Binding_Domain . 'obtained from a vendor' HIV . . . . . . . . . . . . . . . 27567 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2DD2O _Sample.Sf_category sample _Sample.Sf_framecode 2DD2O _Sample.Entry_ID 27567 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'HIV TAR RNA' 'natural abundance' . . . . . . 0.5 . . mM . . . . 27567 1 2 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 1 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 1 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 1 stop_ save_ save_2DH2O _Sample.Sf_category sample _Sample.Sf_framecode 2DH2O _Sample.Entry_ID 27567 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 2 2 'HIV TAR RNA' 'natural abundance' . . . . . . 0.5 . . mM . . . . 27567 2 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 2 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 2 stop_ save_ save_HMQC _Sample.Sf_category sample _Sample.Sf_framecode HMQC _Sample.Entry_ID 27567 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 3 2 'HIV TAR RNA' '[U-99% 13C; U-99% 15N]' . . . . . . 0.5 . . mM . . . . 27567 3 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 3 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 3 stop_ save_ save_DeutD2O _Sample.Sf_category sample _Sample.Sf_framecode DeutD2O _Sample.Entry_ID 27567 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 4 2 'HIV TAR RNA' '[U-97% 2H]' . . . . . . 0.5 . . mM . . . . 27567 4 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 4 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 4 stop_ save_ save_HSQC _Sample.Sf_category sample _Sample.Sf_framecode HSQC _Sample.Entry_ID 27567 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 5 2 'HIV TAR RNA' '[U-99% 13C; U-99% 15N]' . . . . . . 0.5 . . mM . . . . 27567 5 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 5 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 5 stop_ save_ save_DeutH2O _Sample.Sf_category sample _Sample.Sf_framecode DeutH2O _Sample.Entry_ID 27567 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Tat RNA Binding Domain' 'natural abundance' . . 1 $Tat_RNA_Binding_Domain . . 0.5 . . mM . . . . 27567 6 2 'HIV TAR RNA' '[U-97% 2H]' . . . . . . 0.5 . . mM . . . . 27567 6 3 'mM NaCl' 'natural abundance' . . . . . . 70 . . mM . . . . 27567 6 4 'mM phosphates' 'natural abundance' . . . . . . 10 . . mM . . . . 27567 6 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 27567 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 80 . mM 27567 1 pH 5.4 . pH 27567 1 pressure 1 . atm 27567 1 temperature 298 . K 27567 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 27567 _Software.ID 1 _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' . . 27567 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27567 1 processing 27567 1 'structure solution' 27567 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27567 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27567 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 700 . . . 27567 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 27567 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $2DD2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $2DH2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $HMQC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $HSQC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $DeutD2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 6 $DeutH2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27567 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_TARACProtD2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARACProtD2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $DeutD2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'TAR GU Deuterated with Tat RBD' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 2H 6996.26904297 6996.26904297 699.932983398 699.932983398 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 0 {20.h1'} 5.85406 0.02286 0.03049 ++ {0.0} {} {20.h8} 7.80691 0.03931 0.05242 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {20.h1'} 5.85406 0.01491 0.01987 ++ {0.0} {} {20.h2} 6.81946 0.02408 0.03211 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {35.h1'} 5.74926 0.03681 0.04908 ++ {0.0} {} {35.h8} 8.27033 0.03010 0.04014 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {22.h1'} 5.83814 0.01791 0.02388 ++ {0.0} {} {22.h8} 7.59004 0.03010 0.04014 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {22.h1'} 5.83814 0.01393 0.01857 ++ {0.0} {} {22.h2} 6.95188 0.02408 0.03211 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {41.h1'} 5.31546 0.02388 0.03184 ++ {0.0} {} {22.h2} 6.95188 0.04816 0.06422 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {41.h1'} 5.31546 0.02288 0.03051 ++ {0.0} {} {41.h6} 7.72650 0.03311 0.04415 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {41.h5} 5.52572 0.03283 0.04378 ++ {0.0} {} {41.h6} 7.72650 0.03311 0.04415 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {27.h1'} 5.92371 0.02487 0.03317 ++ {0.0} {} {27.h8} 7.65827 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {27.h1'} 5.92371 0.01094 0.01459 ++ {0.0} {} {27.h2} 7.32113 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {39.h1'} 5.09918 0.02686 0.02636 ++ {0.0} {} {27.h2} 7.31658 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {39.h1'} 5.09789 0.02587 0.03449 ++ {0.0} {} {39.h6} 7.34120 0.02107 0.02809 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {39.h5} 5.45674 0.04378 0.05837 ++ {0.0} {} {39.h6} 7.34120 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {19.h1'} 5.38311 0.01990 0.02653 ++ {0.0} {} {19.h6} 7.41745 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {19.h5} 5.07866 0.03184 0.04245 ++ {0.0} {} {19.h6} 7.41745 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {19.h5} 5.07866 0.01791 0.02388 ++ {0.0} {} {20.h8} 7.81279 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {19.h1'} 5.38378 0.01890 0.02521 ++ {0.0} {} {20.h8} 7.81279 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {30.h5} 5.49455 0.04975 0.06633 ++ {0.0} {} {30.h6} 7.65425 0.05719 0.07626 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {30.h1'} 5.65175 0.01691 0.02255 ++ {0.0} {} {30.h6} 7.65425 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {29.h1'} 5.39107 0.01492 0.01990 ++ {0.0} {} {29.h6} 7.38334 0.04515 0.06020 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {29.h5} 5.01697 0.03482 0.04643 ++ {0.0} {} {29.h6} 7.38334 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {29.h5} 5.01697 0.01791 0.02388 ++ {0.0} {} {30.h6} 7.66429 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {29.h1'} 5.39174 0.01194 0.01592 ++ {0.0} {} {30.h6} 7.65626 0.04515 0.06020 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {37.h1'} 5.44281 0.01990 0.02653 ++ {0.0} {} {37.h6} 7.55391 0.07525 0.10034 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {37.h5} 5.05610 0.02189 0.02919 ++ {0.0} {} {37.h6} 7.55391 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {44.h5} 5.05146 0.03383 0.04510 ++ {0.0} {} {44.h6} 7.57398 0.02709 0.03612 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {44.h1'} 5.34862 0.02089 0.02786 ++ {0.0} {} {44.h6} 7.57599 0.02408 0.03211 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {44.h1'} 5.34729 0.01592 0.02123 ++ {0.0} {} {45.h6} 7.69238 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {45.h5} 5.32872 0.02985 0.03980 ++ {0.0} {} {45.h6} 7.69238 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {45.h1'} 5.38245 0.01393 0.01857 ++ {0.0} {} {45.h6} 7.69238 0.03010 0.04014 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {45.h1'} 5.38245 0.01492 0.01990 ++ {0.0} {} {46.h6} 7.57198 0.02709 0.03612 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {46.h5} 5.38245 0.03084 0.04112 ++ {0.0} {} {46.h6} 7.57198 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {46.h1'} 5.60399 0.01592 0.02123 ++ {0.0} {} {46.h6} 7.57198 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {152.d1/2} 3.00072 0.12419 0.16558 ++ {0.0} {} {22.h8} 7.58467 0.02560 0.03414 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {152.hg1/2} 1.45382 0.11112 0.14815 ++ {0.0} {} {22.h8} 7.58751 0.02560 0.03414 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {152.d1/d2} 3.01815 0.05883 0.07843 ++ {0.0} {} {22.h1'} 5.83805 0.01280 0.01707 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {152.hg1/2} 1.50075 0.03922 0.20871 ++ {0.0} {} {22.h1'} 5.52676 0.02560 0.03414 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {153.hd} 3.02251 0.05229 0.06972 ++ {0.0} {} {41.h5} 5.52514 0.01707 0.02276 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {153.hd} 3.02251 0.04575 0.06100 ++ {0.0} {} {41.h1'} 5.31179 0.02560 0.03414 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {153.hd} 3.02251 0.05883 0.07843 ++ {0.0} {} {39.h5} 5.45402 0.02133 0.02845 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {149.hd} 3.03930 0.02962 0.03949 ++ {0.0} {} {37.h5} 5.04607 0.04284 0.05712 ++ {0.0} {} 0.0 0.0000 0 {} 0 41 {154.hg1} 2.24902 0.04670 0.06227 ++ {0.0} {} {44.h5} 5.04880 0.09583 0.12777 ++ {0.0} {} 0.0 0.0000 0 {} 0 42 {150.he} 2.85942 0.05327 0.07102 ++ {0.0} {} {37.h5} 5.03289 0.11400 0.15199 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 12 CA . . 6995.86924091386 Hz . . . . . . 27567 1 stop_ save_ save_TARACProtH2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARACProtH2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 6 _Spectral_peak_list.Sample_label $DeutH2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'TAR GU deuterated + Tat RBD' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 2H 6996.26904297 6996.26904297 699.932983398 699.932983398 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 0 {20.h1'} 5.83755 0.02286 0.07958 ++ {0.0} {} {20.h8} 7.80076 0.03931 0.05782 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {20.h1'} 5.84056 0.01491 0.09156 ++ {0.0} {} {20.h2} 6.82100 0.02408 0.03211 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {35.h1'} 5.75652 0.03681 0.04908 ++ {0.0} {} {35.h8} 8.26199 0.03010 0.04759 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {22.h1'} 5.83814 0.01791 0.02388 ++ {0.0} {} {22.h8} 7.59004 0.03010 0.04014 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {22.h1'} 5.83214 0.01393 0.01857 ++ {0.0} {} {22.h2} 6.94573 0.02408 0.05186 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {41.h1'} 5.32296 0.02388 0.03184 ++ {0.0} {} {22.h2} 6.95034 0.04816 0.06422 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {41.h1'} 5.31834 0.02288 0.03051 ++ {0.0} {} {41.h6} 7.71567 0.03311 0.04415 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {41.h5} 5.52380 0.03283 0.04378 ++ {0.0} {} {41.h6} 7.71567 0.03311 0.04415 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {27.h1'} 5.92071 0.02487 0.03317 ++ {0.0} {} {27.h8} 7.65519 0.03913 0.04659 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {27.h1'} 5.92221 0.01094 0.01459 ++ {0.0} {} {27.h2} 7.31498 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {39.h1'} 5.09629 0.02686 0.03582 ++ {0.0} {} {27.h2} 7.31813 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {39.h1'} 5.09563 0.02587 0.03449 ++ {0.0} {} {39.h6} 7.32541 0.02107 0.02809 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {39.h5} 5.45787 0.04378 0.05837 ++ {0.0} {} {39.h6} 7.33031 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {19.h1'} 5.37561 0.01990 0.02653 ++ {0.0} {} {19.h6} 7.40976 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {19.h5} 5.08316 0.03184 0.04245 ++ {0.0} {} {19.h6} 7.41130 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {19.h5} 5.07866 0.01791 0.02388 ++ {0.0} {} {20.h8} 7.81279 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {19.h1'} 5.38378 0.01890 0.02521 ++ {0.0} {} {20.h8} 7.81279 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {30.h5} 5.49005 0.04975 0.08968 ++ {0.0} {} {30.h6} 7.63271 0.05719 0.07626 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {30.h1'} 5.65475 0.01691 0.02255 ++ {0.0} {} {30.h6} 7.62810 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {29.h1'} 5.37907 0.01492 0.01990 ++ {0.0} {} {29.h6} 7.37873 0.04515 0.06020 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {29.h5} 5.01397 0.03482 0.04643 ++ {0.0} {} {29.h6} 7.37104 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {29.h5} 5.02147 0.01791 0.02388 ++ {0.0} {} {30.h6} 7.63199 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {29.h1'} 5.37373 0.01194 0.01592 ++ {0.0} {} {30.h6} 7.62396 0.04515 0.06020 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {37.h1'} 5.44281 0.01990 0.02653 ++ {0.0} {} {37.h6} 7.55391 0.07525 0.10034 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {37.h5} 5.05610 0.02189 0.02919 ++ {0.0} {} {37.h6} 7.55391 0.05117 0.06823 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {44.h5} 5.05146 0.03383 0.04510 ++ {0.0} {} {44.h6} 7.57398 0.02709 0.03612 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {44.h1'} 5.32321 0.02089 0.04587 ++ {0.0} {} {44.h6} 7.57439 0.02408 0.03211 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {44.h1'} 5.32727 0.01592 0.02123 ++ {0.0} {} {45.h6} 7.67654 0.03612 0.04816 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {45.h5} 5.32639 0.02985 0.03980 ++ {0.0} {} {45.h6} 7.68479 0.03913 0.05218 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {45.h1'} 5.36963 0.01393 0.01857 ++ {0.0} {} {45.h6} 7.67973 0.03010 0.04014 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {45.h1'} 5.38003 0.01492 0.03344 ++ {0.0} {} {46.h6} 7.55916 0.02709 0.03612 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {46.h5} 5.36364 0.03084 0.07836 ++ {0.0} {} {46.h6} 7.55770 0.05117 0.05271 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {46.h1'} 5.60126 0.01592 0.02123 ++ {0.0} {} {46.h6} 7.55656 0.04214 0.05619 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {145.hd} 0.62865 0.02797 0.03730 ++ {0.0} {} {145.nh} 8.40246 0.03484 0.04646 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {39.h5} 5.45654 0.04980 0.06640 ++ {0.0} {} {39.nh1} 6.97954 0.05968 0.07958 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {46.h5} 5.37888 0.05310 0.07079 ++ {0.0} {} {46.nh1} 6.91311 0.05355 0.07141 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {145.g1} 0.98962 0.10545 0.14060 ++ {0.0} {} {145.nh} 8.40602 0.03018 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {145.g2} 1.25485 0.10066 0.13421 ++ {0.0} {} {145.nh} 8.40602 0.02682 0.03576 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {145.hb} 1.62214 0.11476 0.15301 ++ {0.0} {} {145.nh} 8.40513 0.02046 0.02729 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {145.ha} 4.05004 0.08149 0.10865 ++ {0.0} {} {145.nh} 8.40891 0.02850 0.03800 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {145.nh} 8.39678 0.07190 0.09586 ++ {0.0} {} {145.nh} 8.40490 0.02012 0.02682 ++ {0.0} {} 0.0 0.0000 0 {} 0 41 {145.hd} 0.62534 0.09107 0.12143 ++ {0.0} {} {146.nh} 8.26519 0.02682 0.03576 ++ {0.0} {} 0.0 0.0000 0 {} 0 42 {145.g1} 0.97684 0.06711 0.08947 ++ {0.0} {} {146.nh} 8.26519 0.01006 0.01341 ++ {0.0} {} 0.0 0.0000 0 {} 0 43 {146.hb} 3.68982 0.10066 0.13421 ++ {0.0} {} {146.nh} 8.26519 0.03018 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 44 {146.ha} 4.34809 0.09586 0.12782 ++ {0.0} {} {146.nh} 8.26184 0.03856 0.05141 ++ {0.0} {} 0.0 0.0000 0 {} 0 45 {146.nh} 8.27215 0.07190 0.09586 ++ {0.0} {} {146.nh} 8.26407 0.03521 0.04694 ++ {0.0} {} 0.0 0.0000 0 {} 0 46 {160.hb2} 1.79369 0.07489 0.09986 ++ {0.0} {} {160.nh} 8.13638 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 47 {160.hb1} 1.98841 0.04494 0.05992 ++ {0.0} {} {160.nh} 8.13463 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 48 {160.hd} 2.16317 0.02996 0.03994 ++ {0.0} {} {160.nh} 8.13463 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 49 {159.hb1} 3.08187 0.11983 0.15977 ++ {0.0} {} {160.nh} 8.13813 0.07335 0.09779 ++ {0.0} {} 0.0 0.0000 0 {} 0 50 {160.ha} 4.04551 0.08238 0.10985 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 51 {159.ha} 4.54481 0.13481 0.17975 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 52 {160.nh} 8.13974 0.13481 0.17975 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 53 {158.hb} 1.20951 0.04494 0.05992 ++ {0.0} {} {160.nh} 8.13813 0.09430 0.12574 ++ {0.0} {} 0.0 0.0000 0 {} 0 54 {159.hb1} 3.11183 0.09362 0.12482 ++ {0.0} {} {159.h4} 7.16804 0.02292 0.03056 ++ {0.0} {} 0.0 0.0000 0 {} 0 55 {158.hb} 1.20202 0.06553 0.08738 ++ {0.0} {} {159.h4} 7.16804 0.03602 0.04802 ++ {0.0} {} 0.0 0.0000 0 {} 0 56 {159.ha} 4.51610 0.06553 0.08738 ++ {0.0} {} {159.h4} 7.16804 0.03274 0.04366 ++ {0.0} {} 0.0 0.0000 0 {} 0 57 {159.h4} 7.17485 0.10298 0.13731 ++ {0.0} {} {159.h4} 7.16804 0.03274 0.04366 ++ {0.0} {} 0.0 0.0000 0 {} 0 58 {159.ha} 4.52858 0.07489 0.09986 ++ {0.0} {} {158.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 59 {159.nh} 8.29203 0.06553 0.08738 ++ {0.0} {} {159.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 60 {159.hb1} 3.08062 0.07489 0.09986 ++ {0.0} {} {158.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 61 {158.hb} 1.20363 0.08426 0.11234 ++ {0.0} {} {158.nh} 8.29879 0.05239 0.06985 ++ {0.0} {} 0.0 0.0000 0 {} 0 62 {147.h2} 6.92520 0.10298 0.13731 ++ {0.0} {} {147.h2} 6.91140 0.04398 0.05864 ++ {0.0} {} 0.0 0.0000 0 {} 0 63 {146.ha} 4.36631 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91140 0.03088 0.04118 ++ {0.0} {} 0.0 0.0000 0 {} 0 64 {147.ha} 4.39128 0.07489 0.09986 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 65 {147.hb2} 2.90587 0.09362 0.12482 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 66 {147.hb1} 2.75608 0.11234 0.14979 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 67 {146.hb} 3.71723 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 68 {145.hd} 0.63407 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 69 {145.g2} 1.24571 0.09362 0.12482 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 70 {147.h3} 6.61314 0.10298 0.13731 ++ {0.0} {} {147.h3} 6.60266 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 71 {145.hb} 1.61394 0.05617 0.07489 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 72 {145.hd} 0.64656 0.12170 0.16227 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 73 {145.g2} 1.25195 0.09362 0.12482 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 74 {147.hb2} 2.91835 0.08426 0.11234 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 75 {147.hb1} 2.76232 0.06553 0.08738 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 76 {146.hb} 3.70474 0.04681 0.06241 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 77 {147.ha} 4.37255 0.10298 0.13731 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 78 {146.ha} 4.36007 0.04681 0.06241 ++ {0.0} {} {147.h3} 6.60703 0.05566 0.07422 ++ {0.0} {} 0.0 0.0000 0 {} 0 79 {147.nh} 8.28579 0.14043 0.18724 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 80 {147.ha} 4.34759 0.08426 0.11234 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 81 {147.hb2} 2.90892 0.14043 0.18724 ++ {0.0} {} {147.nh} 8.25782 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 82 {147.hb1} 2.76856 0.09362 0.12482 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 83 {147.hb2} 2.90016 0.10063 0.13418 ++ {0.0} {} {146.nh} 8.26673 0.02016 0.02688 ++ {0.0} {} 0.0 0.0000 0 {} 0 84 {147.hb1} 2.77557 0.09584 0.12779 ++ {0.0} {} {146.nh} 8.26673 0.02016 0.02688 ++ {0.0} {} 0.0 0.0000 0 {} 0 85 {154.hb} 2.23571 0.10664 0.14218 ++ {0.0} {} {154.nh2} 7.54486 0.07136 0.09515 ++ {0.0} {} 0.0 0.0000 0 {} 0 86 {154.hb} 2.23571 0.05332 0.07109 ++ {0.0} {} {154.nh1} 6.87319 0.06717 0.08956 ++ {0.0} {} 0.0 0.0000 0 {} 0 87 {154.nh1} 6.88030 0.11817 0.15756 ++ {0.0} {} {154.nh2} 7.54438 0.08205 0.10940 ++ {0.0} {} 0.0 0.0000 0 {} 0 88 {154.nh2} 7.55630 0.09845 0.13127 ++ {0.0} {} {154.nh1} 6.86654 0.14759 0.19678 ++ {0.0} {} 0.0 0.0000 0 {} 0 89 {154.nh2} 7.55630 0.11814 0.15752 ++ {0.0} {} {154.nh2} 7.55163 0.08199 0.10932 ++ {0.0} {} 0.0 0.0000 0 {} 0 90 {154.nh1} 6.88685 0.09845 0.13127 ++ {0.0} {} {154.nh1} 6.86654 0.07653 0.10203 ++ {0.0} {} 0.0 0.0000 0 {} 0 91 {44.nh1} 6.71440 0.05578 0.07437 ++ {0.0} {} {44.nh2} 8.40967 0.04510 0.06213 ++ {0.0} {} 0.0 0.0000 0 {} 0 92 {44.nh2} 8.38161 0.08367 0.11156 ++ {0.0} {} {44.nh1} 6.69103 0.03946 0.05262 ++ {0.0} {} 0.0 0.0000 0 {} 0 93 {19.nh1} 6.68341 0.13945 0.18593 ++ {0.0} {} {19.nh2} 8.29377 0.04204 0.05606 ++ {0.0} {} 0.0 0.0000 0 {} 0 94 {19.nh2} 8.29484 0.06508 0.08677 ++ {0.0} {} {19.nh1} 6.67599 0.05637 0.07517 ++ {0.0} {} 0.0 0.0000 0 {} 0 95 {45.nh1} 6.71155 0.15873 0.18538 ++ {0.0} {} {45.nh2} 8.38459 0.03734 0.04979 ++ {0.0} {} 0.0 0.0000 0 {} 0 96 {45.nh2} 8.31964 0.09297 0.12396 ++ {0.0} {} {45.nh1} 6.73237 0.03382 0.04510 ++ {0.0} {} 0.0 0.0000 0 {} 0 97 {41.nh1} 6.86315 0.09297 0.12396 ++ {0.0} {} {41.nh2} 8.17930 0.05074 0.06765 ++ {0.0} {} 0.0 0.0000 0 {} 0 98 {41.nh2} 8.18113 0.06508 0.08677 ++ {0.0} {} {41.nh1} 6.86596 0.03946 0.05262 ++ {0.0} {} 0.0 0.0000 0 {} 0 99 {46.nh1} 6.92518 0.08367 0.11156 ++ {0.0} {} {46.nh2} 8.10595 0.03409 0.04545 ++ {0.0} {} 0.0 0.0000 0 {} 0 100 {46.nh2} 8.10923 0.09297 0.12396 ++ {0.0} {} {46.nh1} 6.92159 0.05637 0.07517 ++ {0.0} {} 0.0 0.0000 0 {} 0 101 {38.h3} 14.12048 0.10693 0.14257 ++ {0.0} {} {38.h3} 14.11983 0.13341 0.17789 ++ {0.0} {} 0.0 0.0000 0 {} 0 102 {42.h3} 13.21919 0.10693 0.14258 ++ {0.0} {} {42.h3} 13.22328 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 103 {42.h3} 13.21919 0.06110 0.08147 ++ {0.0} {} {21.h1} 12.37299 0.09072 0.12096 ++ {0.0} {} 0.0 0.0000 0 {} 0 104 {43.h1} 12.36374 0.07638 0.10184 ++ {0.0} {} {43.h1} 12.37299 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 105 {18.h1} 13.06134 0.13748 0.18331 ++ {0.0} {} {18.h1} 13.05962 0.15476 0.20634 ++ {0.0} {} 0.0 0.0000 0 {} 0 106 {43.h1} 12.35355 0.05347 0.07129 ++ {0.0} {} {18.h1} 13.05018 0.09606 0.12808 ++ {0.0} {} 0.0 0.0000 0 {} 0 107 {18.h1} 13.04998 0.05347 0.07129 ++ {0.0} {} {43.h1} 12.35445 0.11207 0.14942 ++ {0.0} {} 0.0 0.0000 0 {} 0 108 {17.h1} 12.67944 0.07638 0.10184 ++ {0.0} {} {17.h1} 12.68963 0.12274 0.16365 ++ {0.0} {} 0.0 0.0000 0 {} 0 109 {18.h1} 13.05625 0.07638 0.10184 ++ {0.0} {} {17.h1} 12.68963 0.06404 0.08538 ++ {0.0} {} 0.0 0.0000 0 {} 0 110 {17.h1} 12.69472 0.05347 0.07129 ++ {0.0} {} {18.h1} 13.05607 0.07471 0.09961 ++ {0.0} {} 0.0 0.0000 0 {} 0 111 {43.h1} 12.34877 0.06110 0.08147 ++ {0.0} {} {42.h3} 13.21198 0.10139 0.13519 ++ {0.0} {} 0.0 0.0000 0 {} 0 112 {26.h1} 12.45540 0.09166 0.12221 ++ {0.0} {} {26.h1} 12.44770 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 113 {21.h1} 12.37793 0.02291 0.03055 ++ {0.0} {} {42.h3} 13.20930 0.05870 0.07827 ++ {0.0} {} 0.0 0.0000 0 {} 0 114 {21.h1} 12.36295 0.03819 0.05092 ++ {0.0} {} {40.h3} 13.94797 0.11740 0.15654 ++ {0.0} {} 0.0 0.0000 0 {} 0 115 {40.h3} 13.93696 0.04583 0.06110 ++ {0.0} {} {21.h1} 12.38082 0.07471 0.09961 ++ {0.0} {} 0.0 0.0000 0 {} 0 116 {21.h1} 12.36412 0.07238 0.09651 ++ {0.0} {} {21.h1} 12.38724 0.13083 0.17443 ++ {0.0} {} 0.0 0.0000 0 {} 0 117 {26.h1} 12.46112 0.05849 0.07799 ++ {0.0} {} {40.h3} 13.93215 0.09828 0.13105 ++ {0.0} {} 0.0 0.0000 0 {} 0 118 {40.h3} 13.93317 0.05849 0.07799 ++ {0.0} {} {26.h1} 12.45490 0.07148 0.09531 ++ {0.0} {} 0.0 0.0000 0 {} 0 119 {38.h3} 14.11481 0.09139 0.12186 ++ {0.0} {} {26.h1} 12.45895 0.10052 0.13402 ++ {0.0} {} 0.0 0.0000 0 {} 0 120 {26.h1} 12.44494 0.05484 0.07312 ++ {0.0} {} {38.h3} 14.12168 0.09047 0.12062 ++ {0.0} {} 0.0 0.0000 0 {} 0 121 {28.h1} 13.50119 0.16451 0.21935 ++ {0.0} {} {28.h1} 13.49806 0.13067 0.17423 ++ {0.0} {} 0.0 0.0000 0 {} 0 122 {38.h3} 14.12442 0.07312 0.09749 ++ {0.0} {} {28.h1} 13.50593 0.11057 0.14743 ++ {0.0} {} 0.0 0.0000 0 {} 0 123 {28.h1} 13.50945 0.03656 0.04874 ++ {0.0} {} {38.h3} 14.12833 0.09047 0.12062 ++ {0.0} {} 0.0 0.0000 0 {} 0 124 {23.h3} 13.30012 0.10967 0.14623 ++ {0.0} {} {23.h3} 13.30250 0.13067 0.17423 ++ {0.0} {} 0.0 0.0000 0 {} 0 125 {38.h3} 14.10872 0.06398 0.08530 ++ {0.0} {} {23.h3} 13.29306 0.07036 0.09382 ++ {0.0} {} 0.0 0.0000 0 {} 0 126 {26.h1} 12.45320 0.02742 0.03656 ++ {0.0} {} {23.h3} 13.31042 0.11057 0.14743 ++ {0.0} {} 0.0 0.0000 0 {} 0 127 {23.h3} 13.31520 0.07068 0.09424 ++ {0.0} {} {38.h3} 14.12969 0.08216 0.10955 ++ {0.0} {} 0.0 0.0000 0 {} 0 128 {23.h3} 13.29295 0.17277 0.23035 ++ {0.0} {} {27.h8} 7.65674 0.06390 0.08520 ++ {0.0} {} 0.0 0.0000 0 {} 0 129 {36.h1} 13.07448 0.08603 0.11471 ++ {0.0} {} {36.h1} 13.08851 0.04311 0.05748 ++ {0.0} {} 0.0 0.0000 0 {} 0 130 {28.h1} 13.49189 0.05974 0.07966 ++ {0.0} {} {36.h1} 13.08851 0.02463 0.03284 ++ {0.0} {} 0.0 0.0000 0 {} 0 131 {26.h1} 12.45546 0.12136 0.16182 ++ {0.0} {} {26.nh2} 7.96960 0.08253 0.11003 ++ {0.0} {} 0.0 0.0000 0 {} 0 132 {23.h3} 13.28175 0.05906 0.07875 ++ {0.0} {} {26.h1} 12.45634 0.02264 0.03019 ++ {0.0} {} 0.0 0.0000 0 {} 0 133 {16.h1} 12.40346 0.05317 0.07089 ++ {0.0} {} {17.h1} 12.67402 0.04808 0.06411 ++ {0.0} {} 0.0 0.0000 0 {spin diff} 0 134 {40.h3} 13.93717 0.11457 0.15276 ++ {0.0} {} {40.h3} 13.92059 0.10673 0.14231 ++ {0.0} {} 0.0 0.0000 0 {} 0 135 {19.nh1} 6.67835 0.09250 0.12334 ++ {0.0} {} {43.h1} 12.35307 0.04728 0.06304 ++ {0.0} {} 0.0 0.0000 0 {} 0 136 {19.nh2} 8.31258 0.05550 0.07400 ++ {0.0} {} {43.h1} 12.36007 0.04202 0.05603 ++ {0.0} {} 0.0 0.0000 0 {} 0 137 {41.nh1} 6.86336 0.08325 0.11100 ++ {0.0} {} {21.h1} 12.36707 0.05778 0.07704 ++ {0.0} {} 0.0 0.0000 0 {} 0 138 {41.nh2} 8.17691 0.08325 0.11100 ++ {0.0} {} {21.h1} 12.36007 0.04202 0.05603 ++ {0.0} {} 0.0 0.0000 0 {} 0 139 {44.nh1} 6.69069 0.09250 0.12334 ++ {0.0} {} {18.h1} 13.04995 0.06829 0.09105 ++ {0.0} {} 0.0 0.0000 0 {} 0 140 {44.nh2} 8.40508 0.07400 0.09867 ++ {0.0} {} {18.h1} 13.04995 0.05253 0.07004 ++ {0.0} {} 0.0 0.0000 0 {} 0 141 {45.nh1} 6.73385 0.11100 0.14801 ++ {0.0} {} {17.h1} 12.68925 0.03152 0.04202 ++ {0.0} {} 0.0 0.0000 0 {} 0 142 {45.nh2} 8.37425 0.09250 0.12334 ++ {0.0} {} {17.h1} 12.68925 0.03677 0.04903 ++ {0.0} {} 0.0 0.0000 0 {} 0 143 {154.hg1} 1.88777 0.08078 0.10770 ++ {0.0} {} {154.nh2} 7.54950 0.04965 0.06621 ++ {0.0} {} 0.0 0.0000 0 {} 0 144 {154.hg1} 1.88777 0.08078 0.10770 ++ {0.0} {} {154.nh1} 6.87420 0.07945 0.10593 ++ {0.0} {} 0.0 0.0000 0 {} 0 145 {154.nh2} 7.56597 0.08037 0.10716 ++ {0.0} {} {18.h1} 13.05255 0.02959 0.03945 ++ {0.0} {} 0.0 0.0000 0 {look in superlb} 0 146 {154.nh2} 7.56597 0.09016 0.12021 ++ {0.0} {} {43.h1} 12.36480 0.04052 0.05403 ++ {0.0} {} 0.0 0.0000 0 {} 0 147 {37.nh1} 6.73610 0.07978 0.10637 ++ {0.0} {} {37.nh2} 8.63743 0.06560 0.08746 ++ {0.0} {} 0.0 0.0000 0 {} 0 148 {37.nh2} 8.61394 0.09205 0.12273 ++ {0.0} {} {37.nh1} 6.72885 0.03391 0.04521 ++ {0.0} {} 0.0 0.0000 0 {} 0 149 {37.nh2} 8.64507 0.12076 0.16102 ++ {0.0} {} {28.h1} 13.49873 0.08482 0.11309 ++ {0.0} {} 0.0 0.0000 0 {} 0 150 {28.h1} 13.50249 0.14089 0.18786 ++ {0.0} {} {37.nh2} 8.66965 0.11875 0.15833 ++ {0.0} {} 0.0 0.0000 0 {} 0 151 {160.nh1} 6.75078 0.10849 0.14466 ++ {0.0} {} {160.nh2} 7.42745 0.02162 0.02883 ++ {0.0} {} 0.0 0.0000 0 {} 0 152 {160.nh2} 7.43066 0.07594 0.10126 ++ {0.0} {} {160.nh1} 6.73197 0.05405 0.07207 ++ {0.0} {} 0.0 0.0000 0 {} 0 153 {160.hd} 2.17963 0.11934 0.15912 ++ {0.0} {} {160.nh1} 7.42565 0.04865 0.06486 ++ {0.0} {} 0.0 0.0000 0 {} 0 154 {160.hd} 2.17963 0.11934 0.15912 ++ {0.0} {} {160.nh2} 6.73557 0.04324 0.05766 ++ {0.0} {} 0.0 0.0000 0 {} 0 155 {39.nh1} 6.92776 0.06683 0.08910 ++ {0.0} {} {39.nh2} 8.26253 0.03181 0.04241 ++ {0.0} {} 0.0 0.0000 0 {} 0 156 {39.nh2} 8.27390 0.04112 0.05483 ++ {0.0} {} {39.nh1} 6.95885 0.01980 0.02640 ++ {0.0} {} 0.0 0.0000 0 {} 0 157 {29.nh2} 8.26293 0.08225 0.10966 ++ {0.0} {} {29.nh1} 6.71809 0.05755 0.07674 ++ {0.0} {} 0.0 0.0000 0 {} 0 158 {34.h1} 12.53557 0.07653 0.10204 ++ {0.0} {} {36.h1} 13.08883 0.03700 0.04934 ++ {0.0} {} 0.0 0.0000 0 {} 0 159 {34.h1} 12.55844 0.11084 0.14779 ++ {0.0} {} {34.h1} 12.53994 0.10176 0.13568 ++ {0.0} {} 0.0 0.0000 0 {} 0 160 {26.nh1} 5.75706 0.11277 0.15036 ++ {0.0} {} {26.nh2} 7.96597 0.05173 0.06898 ++ {0.0} {} 0.0 0.0000 0 {} 0 161 {149.hd} 3.00856 0.07569 0.10092 ++ {0.0} {} {149.nh} 8.03185 0.07571 0.10095 ++ {0.0} {} 0.0 0.0000 0 {} 0 162 {147.hb2} 2.89584 0.08148 0.10864 ++ {0.0} {} {149.nh} 8.03445 0.05467 0.07289 ++ {0.0} {} 0.0 0.0000 0 {} 0 163 {147.hb1} 2.77725 0.07011 0.09348 ++ {0.0} {} {149.nh} 8.03445 0.05467 0.07289 ++ {0.0} {} 0.0 0.0000 0 {} 0 164 {149.hb} 1.65261 0.09640 0.12853 ++ {0.0} {} {149.nh} 8.03445 0.05009 0.06679 ++ {0.0} {} 0.0 0.0000 0 {} 0 165 {149.hg} 1.48027 0.10516 0.14021 ++ {0.0} {} {149.nh} 8.03445 0.06839 0.09119 ++ {0.0} {} 0.0 0.0000 0 {} 0 166 {145.hd} 0.63314 0.06134 0.08179 ++ {0.0} {} {149.nh} 8.03445 0.02265 0.03019 ++ {0.0} {} 0.0 0.0000 0 {} 0 167 {148.ha} 3.81242 0.14420 0.09063 ++ {0.0} {} {149.nh} 8.03528 0.05262 0.07016 ++ {0.0} {} 0.0 0.0000 0 {} 0 168 {149.ha} 4.11153 0.09176 0.12235 ++ {0.0} {} {149.nh} 8.03928 0.02105 0.02806 ++ {0.0} {} 0.0 0.0000 0 {} 0 169 {145.g2} 1.25282 0.09157 0.12210 ++ {0.0} {} {149.nh} 8.03619 0.01915 0.02554 ++ {0.0} {} 0.0 0.0000 0 {} 0 170 {36.h1} 13.08901 0.03814 0.05085 ++ {0.0} {} {34.h1} 12.53743 0.10575 0.14100 ++ {0.0} {} 0.0 0.0000 0 {} 0 171 {27.h2} 7.32330 0.04064 0.05419 ++ {0.0} {} {38.h3} 14.12090 0.16300 0.21733 ++ {0.0} {} 0.0 0.0000 0 {} 0 172 {22.h2} 6.94734 0.05081 0.06774 ++ {0.0} {} {40.h3} 13.93663 0.15591 0.20788 ++ {0.0} {} 0.0 0.0000 0 {} 0 173 {20.h2} 6.81186 0.04064 0.05419 ++ {0.0} {} {42.h3} 13.22322 0.10985 0.14646 ++ {0.0} {} 0.0 0.0000 0 {} 0 174 {27.h8} 7.66539 0.06097 0.08129 ++ {0.0} {} {23.h3} 13.30117 0.16654 0.22206 ++ {0.0} {} 0.0 0.0000 0 {} 0 175 {38.h3} 14.10306 0.19666 0.26221 ++ {0.0} {} {27.h2} 7.31940 0.07117 0.09489 ++ {0.0} {} 0.0 0.0000 0 {} 0 176 {42.h3} 13.22549 0.08247 0.35526 ++ {0.0} {} {20.h2} 6.81918 0.03050 0.07318 ++ {0.0} {} 0.0 0.0000 0 {} 0 177 {40.h3} 13.92966 0.15860 0.21146 ++ {0.0} {} {22.h2} 6.95475 0.05693 0.07591 ++ {0.0} {} 0.0 0.0000 0 {} 0 178 {26.h1} 12.44592 0.06975 0.09300 ++ {0.0} {} {39.nh2} 8.27355 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 179 {26.h1} 12.44286 0.07609 0.10146 ++ {0.0} {} {39.nh1} 6.96299 0.02612 0.03482 ++ {0.0} {} 0.0 0.0000 0 {} 0 180 {44.h5} 5.05589 0.08874 0.11832 ++ {0.0} {} {44.nh2} 8.40558 0.03688 0.04918 ++ {0.0} {} 0.0 0.0000 0 {} 0 181 {18.h1} 13.05400 0.09512 0.12682 ++ {0.0} {} {44.nh2} 8.40709 0.04898 0.06531 ++ {0.0} {} 0.0 0.0000 0 {} 0 182 {18.h1} 13.05400 0.10780 0.14373 ++ {0.0} {} {44.nh1} 6.69054 0.05223 0.06964 ++ {0.0} {} 0.0 0.0000 0 {} 0 183 {17.h1} 12.68200 0.07609 0.10146 ++ {0.0} {} {45.nh2} 8.38439 0.04850 0.06467 ++ {0.0} {} 0.0 0.0000 0 {} 0 184 {17.h1} 12.68200 0.06975 0.09300 ++ {0.0} {} {45.nh1} 6.76268 0.03731 0.04975 ++ {0.0} {} 0.0 0.0000 0 {} 0 185 {45.h5} 5.33795 0.08019 0.10691 ++ {0.0} {} {45.nh2} 8.38586 0.06653 0.08870 ++ {0.0} {} 0.0 0.0000 0 {} 0 186 {43.h1} 12.36990 0.08877 0.11837 ++ {0.0} {} {19.nh2} 8.28968 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 187 {43.h1} 12.35649 0.10146 0.13527 ++ {0.0} {} {19.nh1} 6.67065 0.07089 0.09452 ++ {0.0} {} 0.0 0.0000 0 {} 0 188 {19.h5} 5.07830 0.07446 0.09928 ++ {0.0} {} {19.nh2} 8.29880 0.02464 0.03285 ++ {0.0} {} 0.0 0.0000 0 {} 0 189 {19.h5} 5.07830 0.08019 0.10691 ++ {0.0} {} {19.nh1} 6.67257 0.03450 0.04599 ++ {0.0} {} 0.0 0.0000 0 {} 0 190 {21.h1} 12.37106 0.07609 0.10146 ++ {0.0} {} {41.nh2} 8.18311 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 191 {21.h1} 12.35649 0.09512 0.12682 ++ {0.0} {} {41.nh1} 6.86101 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 192 {41.h5} 5.52505 0.05155 0.06873 ++ {0.0} {} {41.nh2} 8.18217 0.02957 0.03942 ++ {0.0} {} 0.0 0.0000 0 {} 0 193 {28.h1} 13.49787 0.10780 0.14373 ++ {0.0} {} {37.nh1} 6.72537 0.03358 0.04477 ++ {0.0} {} 0.0 0.0000 0 {} 0 194 {37.h5} 5.04393 0.04582 0.06109 ++ {0.0} {} {37.nh2} 8.63883 0.04189 0.05585 ++ {0.0} {} 0.0 0.0000 0 {} 0 195 {37.h5} 5.04393 0.06873 0.09164 ++ {0.0} {} {37.nh1} 6.72349 0.01725 0.02300 ++ {0.0} {} 0.0 0.0000 0 {} 0 196 {39.h5} 5.45791 0.08591 0.11455 ++ {0.0} {} {39.nh2} 8.26941 0.01971 0.08881 ++ {0.0} {} 0.0 0.0000 0 {} 0 197 {46.h5} 5.37452 0.10882 0.09051 ++ {0.0} {} {46.nh2} 8.10139 0.05174 0.06899 ++ {0.0} {} 0.0 0.0000 0 {} 0 198 {21.h1} 12.36404 0.07464 0.09952 ++ {0.0} {} {22.h2} 6.94931 0.02244 0.02991 ++ {0.0} {} 0.0 0.0000 0 {} 0 199 {43.h1} 12.35649 0.06975 0.09300 ++ {0.0} {} {20.h2} 6.82237 0.03358 0.04477 ++ {0.0} {} 0.0 0.0000 0 {} 0 200 {26.h1} 12.45372 0.10146 0.13527 ++ {0.0} {} {27.h2} 7.31485 0.03358 0.04477 ++ {0.0} {} 0.0 0.0000 0 {} 0 201 {26.h1} 12.45372 0.08243 0.10991 ++ {0.0} {} {27.h8} 7.65810 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 202 {16.h1} 12.38608 0.09512 0.12682 ++ {0.0} {} {46.nh2} 8.10581 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 203 {16.h1} 12.38608 0.09512 0.12682 ++ {0.0} {} {46.nh1} 6.91404 0.03304 0.04405 ++ {0.0} {} 0.0 0.0000 0 {} 0 204 {36.h1} 13.07761 0.08877 0.11837 ++ {0.0} {} {29.nh2} 8.28214 0.05223 0.06964 ++ {0.0} {} 0.0 0.0000 0 {} 0 205 {29.h5} 5.02238 0.09164 0.12219 ++ {0.0} {} {29.nh2} 8.22560 0.06137 0.08183 ++ {0.0} {} 0.0 0.0000 0 {} 0 206 {29.nh1} 6.69346 0.05155 0.06873 ++ {0.0} {} {29.nh2} 8.26102 0.02710 0.03614 ++ {0.0} {} 0.0 0.0000 0 {} 0 207 {29.h5} 5.01188 0.12601 0.08462 ++ {0.0} {} {29.nh1} 6.73684 0.02710 0.05549 ++ {0.0} {} 0.0 0.0000 0 {} 0 208 {36.h1} 13.08112 0.08877 0.11837 ++ {0.0} {} {29.nh1} 6.72461 0.02710 0.03614 ++ {0.0} {} 0.0 0.0000 0 {} 0 209 {41.h5} 5.54014 0.10369 0.13826 ++ {0.0} {} {41.nh1} 6.86817 0.07006 0.09341 ++ {0.0} {} 0.0 0.0000 0 {} 0 210 {45.h5} 5.33444 0.09016 0.12022 ++ {0.0} {} {45.nh1} 6.75697 0.07859 0.10478 ++ {0.0} {} 0.0 0.0000 0 {} 0 211 {27.h1'} 5.92060 0.08833 0.11777 ++ {0.0} {} {26.nh2} 7.96902 0.05490 0.07320 ++ {0.0} {} 0.0 0.0000 0 {} 0 212 {26.nh1} 5.74292 0.09359 0.12479 ++ {0.0} {} {27.h8} 7.65682 0.03989 0.05319 ++ {0.0} {} 0.0 0.0000 0 {} 0 213 {27.nh2} 8.02274 0.11253 0.15004 ++ {0.0} {} {27.nh2} 8.04248 0.07647 0.10196 ++ {0.0} {} 0.0 0.0000 0 {} 0 214 {27.nh1} 7.75221 0.10571 0.14095 ++ {0.0} {} {27.nh1} 7.73485 0.06328 0.08438 ++ {0.0} {} 0.0 0.0000 0 {} 0 215 {27.nh1} 7.72948 0.07843 0.10458 ++ {0.0} {} {27.nh2} 8.03721 0.05274 0.07031 ++ {0.0} {} 0.0 0.0000 0 {} 0 216 {27.nh2} 8.02047 0.10230 0.13640 ++ {0.0} {} {27.nh1} 7.74013 0.05274 0.07031 ++ {0.0} {} 0.0 0.0000 0 {} 0 217 {27.nh2} 8.00228 0.10571 0.14095 ++ {0.0} {} {27.h2} 7.32000 0.02637 0.03516 ++ {0.0} {} 0.0 0.0000 0 {} 0 218 {27.nh1} 7.75903 0.08184 0.10912 ++ {0.0} {} {27.h2} 7.32000 0.02373 0.03164 ++ {0.0} {} 0.0 0.0000 0 {} 0 219 {20.nh2} 8.00456 0.13299 0.15004 ++ {0.0} {} {20.nh2} 7.99677 0.05010 0.06679 ++ {0.0} {} 0.0 0.0000 0 {} 0 220 {20.nh1} 7.67947 0.09889 0.13184 ++ {0.0} {} {20.nh1} 7.66981 0.07383 0.07734 ++ {0.0} {} 0.0 0.0000 0 {} 0 221 {20.nh1} 7.67947 0.08184 0.10912 ++ {0.0} {} {20.nh2} 7.98975 0.04483 0.05977 ++ {0.0} {} 0.0 0.0000 0 {} 0 222 {20.nh2} 8.02047 0.10912 0.14550 ++ {0.0} {} {20.nh1} 7.66278 0.03692 0.04922 ++ {0.0} {} 0.0 0.0000 0 {} 0 223 {20.nh1} 7.69311 0.11253 0.15004 ++ {0.0} {} {20.h2} 6.81725 0.06592 0.04571 ++ {0.0} {} 0.0 0.0000 0 {} 0 224 {22.nh1} 7.72038 0.05115 0.06820 ++ {0.0} {} {22.h2} 6.94206 0.02109 0.02813 ++ {0.0} {} 0.0 0.0000 0 {} 0 225 {22.nh2} 8.17279 0.12958 0.17278 ++ {0.0} {} {22.nh2} 8.17608 0.05537 0.07383 ++ {0.0} {} 0.0 0.0000 0 {} 0 226 {22.nh1} 7.72266 0.08525 0.11367 ++ {0.0} {} {22.nh1} 7.71200 0.06065 0.08086 ++ {0.0} {} 0.0 0.0000 0 {} 0 227 {22.nh1} 7.72266 0.07502 0.10003 ++ {0.0} {} {22.nh2} 8.17959 0.03955 0.05274 ++ {0.0} {} 0.0 0.0000 0 {} 0 228 {22.nh2} 8.17733 0.08866 0.11822 ++ {0.0} {} {22.nh1} 7.71728 0.04219 0.05625 ++ {0.0} {} 0.0 0.0000 0 {} 0 229 {26.nh1} 5.74253 0.06138 0.08184 ++ {0.0} {} {?} 7.31473 0.01846 0.02461 ++ {0.0} {} 0.0 0.0000 0 {need to assign} 0 230 {36.h1} 13.08166 0.10593 0.14125 ++ {0.0} {} {28.h1} 13.48952 0.03068 0.04091 ++ {0.0} {} 0.0 0.0000 0 {} 0 231 {16.h1} 12.39887 0.05545 0.07393 ++ {0.0} {} {16.h1} 12.39684 0.05279 0.07039 ++ {0.0} {} 0.0 0.0000 0 {} 0 232 {144.hb} 3.73257 0.10361 0.13815 ++ {0.0} {} {149.nh} 8.03589 0.04510 0.06013 ++ {0.0} {} 0.0 0.0000 0 {} 0 233 {144.hb} 3.73257 0.10361 0.13815 ++ {0.0} {} {145.nh} 8.40067 0.04510 0.06013 ++ {0.0} {} 0.0 0.0000 0 {} 0 234 {144.hb} 3.73257 0.10361 0.13815 ++ {0.0} {} {144.nh} 8.32852 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 235 {148.ha} 3.80658 0.11841 0.15788 ++ {0.0} {} {148.nh} 8.32852 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 236 {158.hb} 1.20152 0.06661 0.08881 ++ {0.0} {} {159.nh} 8.46080 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 237 {159.hb1} 3.09117 0.05181 0.06907 ++ {0.0} {} {159.nh} 8.46080 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 238 {159.ha} 4.52691 0.05921 0.07894 ++ {0.0} {} {159.nh} 8.46080 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 12 CA . . 21.4293891600084 ppm . . . . . . 27567 2 stop_ save_ save_TARGUProtH2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARGUProtH2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 6 _Spectral_peak_list.Sample_label $DeutH2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 6 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'TAR AC Deuterated with Tat RBD' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 2H 6996.26904297 6996.26904297 699.932983398 699.932983398 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 0 {16.h1'} 5.67205 0.01691 0.06177 ++ {0.0} {} {16.h8} 7.98755 0.03452 0.05625 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {16.h1'} 5.67093 0.01393 0.01857 ++ {0.0} {} {17.h8} 7.42850 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {17.h1'} 5.82449 0.02089 0.02786 ++ {0.0} {} {17.h8} 7.42894 0.01726 0.02301 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {17.h1'} 5.81906 0.02288 0.03051 ++ {0.0} {} {18.h8} 7.12499 0.04027 0.02419 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {18.h1'} 5.66851 0.02089 0.02786 ++ {0.0} {} {18.h8} 7.12226 0.02877 0.03835 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {21.h1'} 5.40057 0.02089 0.04335 ++ {0.0} {} {21.h8} 6.84296 0.04315 0.03895 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {40.h5} 5.30181 0.02587 0.03449 ++ {0.0} {} {40.h6} 7.87048 0.04027 0.05370 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {40.h1'} 5.36478 0.01592 0.02123 ++ {0.0} {} {40.h6} 7.86892 0.02877 0.03835 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {43.h1'} 5.66382 0.01990 0.02653 ++ {0.0} {} {43.h8} 7.68813 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {25.h1'} 5.88426 0.02587 0.03449 ++ {0.0} {} {25.h6} 7.74626 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {25.h5} 5.82075 0.01990 0.02653 ++ {0.0} {} {25.h6} 7.74443 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {23.h1'} 5.67916 0.02089 0.02786 ++ {0.0} {} {23.h6} 7.66387 0.03740 0.04616 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {23.h5} 5.71581 0.03184 0.04245 ++ {0.0} {} {23.h6} 7.66712 0.04027 0.05370 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {34.h1'} 5.79853 0.03084 0.04112 ++ {0.0} {} {34.h8} 7.81083 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {38.h1'} 5.54737 0.01592 0.05133 ++ {0.0} {} {38.h6} 7.68255 0.03164 0.05287 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {38.h5} 5.27109 0.02388 0.05326 ++ {0.0} {} {38.h6} 7.68224 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {42.h5} 5.24022 0.02885 0.05443 ++ {0.0} {} {42.h6} 7.67784 0.04890 0.05432 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {32.h1'} 5.31852 0.02786 0.03715 ++ {0.0} {} {32.h8} 7.62856 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {42.h1'} 5.29662 0.01990 0.02110 ++ {0.0} {} {42.h6} 7.67793 0.03740 0.03426 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {42.h1'} 5.29721 0.02089 0.02786 ++ {0.0} {} {43.h8} 7.69309 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {31.h5minor} 5.07209 0.03880 0.05174 ++ {0.0} {} {31.h6minor} 7.63776 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {31.h5} 5.57259 0.02786 0.03715 ++ {0.0} {} {31.h6} 7.57338 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {31.h1'} 5.51648 0.02189 0.02919 ++ {0.0} {} {31.h6} 7.57027 0.03452 0.04603 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {33.h1'} 5.48965 0.03482 0.04643 ++ {0.0} {} {33.h8} 7.56415 0.05753 0.05067 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {36.h1'} 5.33494 0.03482 0.04643 ++ {0.0} {} {36.h8} 7.32236 0.03452 0.04603 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {28.h1'} 5.75272 0.01791 0.04897 ++ {0.0} {} {28.h8} 7.45280 0.04315 0.04576 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {32.h2'} 4.45424 0.02467 0.03289 ++ {0.0} {} {32.h1'} 5.31659 0.01242 0.01656 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {32.h3'} 4.44791 0.02467 0.03289 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {32.h4'} 3.92795 0.03416 0.04554 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {32.h5'/5''} 3.82421 0.04554 0.06073 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {32.h5'/5''} 3.82421 0.06262 0.08350 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {32.h4'} 3.93174 0.02847 0.03795 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {145.hd} 0.62865 0.02797 0.03730 ++ {0.0} {} {145.nh} 8.40246 0.03484 0.04646 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {145.g1} 0.98962 0.10545 0.14060 ++ {0.0} {} {145.nh} 8.40602 0.03018 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {145.g2} 1.25485 0.10066 0.13421 ++ {0.0} {} {145.nh} 8.40602 0.02682 0.03576 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {145.hb} 1.62214 0.11476 0.15301 ++ {0.0} {} {145.nh} 8.40513 0.02046 0.02729 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {145.ha} 4.04908 0.08149 0.10865 ++ {0.0} {} {145.nh} 8.40715 0.02850 0.03800 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {145.nh} 8.39678 0.07190 0.09586 ++ {0.0} {} {145.nh} 8.40490 0.02012 0.02682 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {145.hd} 0.62534 0.09107 0.12143 ++ {0.0} {} {146.nh} 8.26519 0.02682 0.03576 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {145.g1} 0.97684 0.06711 0.08947 ++ {0.0} {} {146.nh} 8.26519 0.01006 0.01341 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {146.hb} 3.68982 0.10066 0.13421 ++ {0.0} {} {146.nh} 8.26519 0.03018 0.04024 ++ {0.0} {} 0.0 0.0000 0 {} 0 41 {146.ha} 4.34809 0.09586 0.12782 ++ {0.0} {} {146.nh} 8.26184 0.03856 0.05141 ++ {0.0} {} 0.0 0.0000 0 {} 0 42 {146.nh} 8.27215 0.07190 0.09586 ++ {0.0} {} {146.nh} 8.26407 0.03521 0.04694 ++ {0.0} {} 0.0 0.0000 0 {} 0 43 {160.hb2} 1.79369 0.07489 0.09986 ++ {0.0} {} {160.nh} 8.13638 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 44 {160.hb1} 1.98841 0.04494 0.05992 ++ {0.0} {} {160.nh} 8.13463 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 45 {160.hd} 2.16317 0.02996 0.03994 ++ {0.0} {} {160.nh} 8.13463 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 46 {159.hb1} 3.08187 0.11983 0.15977 ++ {0.0} {} {160.nh} 8.13813 0.07335 0.09779 ++ {0.0} {} 0.0 0.0000 0 {} 0 47 {160.ha} 4.04551 0.08238 0.10985 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 48 {159.ha} 4.54481 0.13481 0.17975 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 49 {160.nh} 8.13974 0.13481 0.17975 ++ {0.0} {} {160.nh} 8.13813 0.05501 0.07335 ++ {0.0} {} 0.0 0.0000 0 {} 0 50 {158.hb} 1.20951 0.04494 0.05992 ++ {0.0} {} {160.nh} 8.13813 0.09430 0.12574 ++ {0.0} {} 0.0 0.0000 0 {} 0 51 {159.hb1} 3.11183 0.09362 0.12482 ++ {0.0} {} {159.h4} 7.16804 0.02292 0.03056 ++ {0.0} {} 0.0 0.0000 0 {} 0 52 {158.hb} 1.20202 0.06553 0.08738 ++ {0.0} {} {159.h4} 7.16804 0.03602 0.04802 ++ {0.0} {} 0.0 0.0000 0 {} 0 53 {159.ha} 4.51610 0.06553 0.08738 ++ {0.0} {} {159.h4} 7.16804 0.03274 0.04366 ++ {0.0} {} 0.0 0.0000 0 {} 0 54 {159.h4} 7.17485 0.10298 0.13731 ++ {0.0} {} {159.h4} 7.16804 0.03274 0.04366 ++ {0.0} {} 0.0 0.0000 0 {} 0 55 {159.ha} 4.52858 0.07489 0.09986 ++ {0.0} {} {158.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 56 {159.nh} 8.29203 0.06553 0.08738 ++ {0.0} {} {159.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 57 {159.hb1} 3.08062 0.07489 0.09986 ++ {0.0} {} {158.nh} 8.29879 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 58 {158.hb} 1.20323 0.08426 0.11234 ++ {0.0} {} {158.nh} 8.29205 0.05239 0.06985 ++ {0.0} {} 0.0 0.0000 0 {} 0 59 {147.h2} 6.92520 0.10298 0.13731 ++ {0.0} {} {147.h2} 6.91140 0.04398 0.05864 ++ {0.0} {} 0.0 0.0000 0 {} 0 60 {146.ha} 4.36631 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91140 0.03088 0.04118 ++ {0.0} {} 0.0 0.0000 0 {} 0 61 {147.ha} 4.39128 0.07489 0.09986 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 62 {147.hb2} 2.90587 0.09362 0.12482 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 63 {147.hb1} 2.75608 0.11234 0.14979 ++ {0.0} {} {147.h2} 6.91045 0.04257 0.05676 ++ {0.0} {} 0.0 0.0000 0 {} 0 64 {146.hb} 3.71723 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 65 {145.hd} 0.63407 0.08426 0.11234 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 66 {145.g2} 1.24571 0.09362 0.12482 ++ {0.0} {} {147.h2} 6.91045 0.03929 0.05239 ++ {0.0} {} 0.0 0.0000 0 {} 0 67 {147.h3} 6.61314 0.10298 0.13731 ++ {0.0} {} {147.h3} 6.60266 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 68 {145.hb} 1.61394 0.05617 0.07489 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 69 {145.hd} 0.64656 0.12170 0.16227 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 70 {145.g2} 1.25195 0.09362 0.12482 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 71 {147.hb2} 2.91835 0.08426 0.11234 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 72 {147.hb1} 2.76232 0.06553 0.08738 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 73 {146.hb} 3.70474 0.04681 0.06241 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 74 {147.ha} 4.37255 0.10298 0.13731 ++ {0.0} {} {147.h3} 6.60266 0.04912 0.06549 ++ {0.0} {} 0.0 0.0000 0 {} 0 75 {146.ha} 4.36007 0.04681 0.06241 ++ {0.0} {} {147.h3} 6.60703 0.05566 0.07422 ++ {0.0} {} 0.0 0.0000 0 {} 0 76 {147.nh} 8.28579 0.14043 0.18724 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 77 {147.ha} 4.34759 0.08426 0.11234 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 78 {147.hb2} 2.90892 0.14043 0.18724 ++ {0.0} {} {147.nh} 8.25782 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 79 {147.hb1} 2.76856 0.09362 0.12482 ++ {0.0} {} {147.nh} 8.25950 0.06549 0.08732 ++ {0.0} {} 0.0 0.0000 0 {} 0 80 {147.hb2} 2.90016 0.10063 0.13418 ++ {0.0} {} {146.nh} 8.26673 0.02016 0.02688 ++ {0.0} {} 0.0 0.0000 0 {} 0 81 {147.hb1} 2.77557 0.09584 0.12779 ++ {0.0} {} {146.nh} 8.26673 0.02016 0.02688 ++ {0.0} {} 0.0 0.0000 0 {} 0 82 {154.hg1} 2.23571 0.10664 0.14218 ++ {0.0} {} {154.nh2} 7.54486 0.07136 0.09515 ++ {0.0} {} 0.0 0.0000 0 {} 0 83 {154.hg1} 2.23571 0.05332 0.07109 ++ {0.0} {} {154.nh1} 6.87319 0.06717 0.08956 ++ {0.0} {} 0.0 0.0000 0 {} 0 84 {154.nh1} 6.88030 0.11817 0.15756 ++ {0.0} {} {154.nh2} 7.54438 0.08205 0.10940 ++ {0.0} {} 0.0 0.0000 0 {} 0 85 {154.nh2} 7.55630 0.09845 0.13127 ++ {0.0} {} {154.nh1} 6.86654 0.14759 0.19678 ++ {0.0} {} 0.0 0.0000 0 {} 0 86 {154.nh2} 7.55630 0.11814 0.15752 ++ {0.0} {} {154.nh2} 7.55163 0.08199 0.10932 ++ {0.0} {} 0.0 0.0000 0 {} 0 87 {154.nh1} 6.88685 0.09845 0.13127 ++ {0.0} {} {154.nh1} 6.86654 0.07653 0.10203 ++ {0.0} {} 0.0 0.0000 0 {} 0 88 {44.nh1} 6.71440 0.05578 0.07437 ++ {0.0} {} {44.nh2} 8.40967 0.04510 0.06213 ++ {0.0} {} 0.0 0.0000 0 {} 0 89 {44.nh2} 8.38161 0.08367 0.11156 ++ {0.0} {} {44.nh1} 6.69103 0.03946 0.05262 ++ {0.0} {} 0.0 0.0000 0 {} 0 90 {19.nh1} 6.68341 0.13945 0.18593 ++ {0.0} {} {19.nh2} 8.29377 0.04204 0.05606 ++ {0.0} {} 0.0 0.0000 0 {} 0 91 {19.nh2} 8.29484 0.06508 0.08677 ++ {0.0} {} {19.nh1} 6.67599 0.05637 0.07517 ++ {0.0} {} 0.0 0.0000 0 {} 0 92 {45.nh1} 6.71155 0.15873 0.18538 ++ {0.0} {} {45.nh2} 8.38459 0.03734 0.04979 ++ {0.0} {} 0.0 0.0000 0 {} 0 93 {45.nh2} 8.31964 0.09297 0.12396 ++ {0.0} {} {45.nh1} 6.73237 0.03382 0.04510 ++ {0.0} {} 0.0 0.0000 0 {} 0 94 {41.nh1} 6.86315 0.09297 0.12396 ++ {0.0} {} {41.nh2} 8.17930 0.05074 0.06765 ++ {0.0} {} 0.0 0.0000 0 {} 0 95 {41.nh2} 8.18113 0.06508 0.08677 ++ {0.0} {} {41.nh1} 6.86596 0.03946 0.05262 ++ {0.0} {} 0.0 0.0000 0 {} 0 96 {46.nh1} 6.92518 0.08367 0.11156 ++ {0.0} {} {46.nh2} 8.10595 0.03409 0.04545 ++ {0.0} {} 0.0 0.0000 0 {} 0 97 {46.nh2} 8.10923 0.09297 0.12396 ++ {0.0} {} {46.nh1} 6.92159 0.05637 0.07517 ++ {0.0} {} 0.0 0.0000 0 {} 0 98 {38.h3} 14.12048 0.10693 0.14257 ++ {0.0} {} {38.h3} 14.11983 0.13341 0.17789 ++ {0.0} {} 0.0 0.0000 0 {} 0 99 {42.h3} 13.21919 0.10693 0.14258 ++ {0.0} {} {42.h3} 13.22328 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 100 {42.h3} 13.21919 0.06110 0.08147 ++ {0.0} {} {21.h1} 12.37299 0.09072 0.12096 ++ {0.0} {} 0.0 0.0000 0 {} 0 101 {43.h1} 12.36374 0.07638 0.10184 ++ {0.0} {} {43.h1} 12.37299 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 102 {18.h1} 13.06134 0.13748 0.18331 ++ {0.0} {} {18.h1} 13.05962 0.15476 0.20634 ++ {0.0} {} 0.0 0.0000 0 {} 0 103 {43.h1} 12.36178 0.05347 0.07129 ++ {0.0} {} {18.h1} 13.04315 0.09606 0.10579 ++ {0.0} {} 0.0 0.0000 0 {} 0 104 {18.h1} 13.04606 0.05347 0.07129 ++ {0.0} {} {43.h1} 12.36232 0.11207 0.14942 ++ {0.0} {} 0.0 0.0000 0 {} 0 105 {17.h1} 12.67944 0.07638 0.10184 ++ {0.0} {} {17.h1} 12.68963 0.12274 0.16365 ++ {0.0} {} 0.0 0.0000 0 {} 0 106 {18.h1} 13.05625 0.07638 0.10184 ++ {0.0} {} {17.h1} 12.68963 0.06404 0.08538 ++ {0.0} {} 0.0 0.0000 0 {} 0 107 {17.h1} 12.69472 0.05347 0.07129 ++ {0.0} {} {18.h1} 13.05607 0.07471 0.09961 ++ {0.0} {} 0.0 0.0000 0 {} 0 108 {43.h1} 12.34877 0.06110 0.08147 ++ {0.0} {} {42.h3} 13.21198 0.10139 0.13519 ++ {0.0} {} 0.0 0.0000 0 {} 0 109 {26.h1} 12.45540 0.09166 0.12221 ++ {0.0} {} {26.h1} 12.44770 0.13341 0.17788 ++ {0.0} {} 0.0 0.0000 0 {} 0 110 {21.h1} 12.37793 0.02291 0.03055 ++ {0.0} {} {42.h3} 13.20930 0.05870 0.07827 ++ {0.0} {} 0.0 0.0000 0 {} 0 111 {21.h1} 12.36295 0.03819 0.05092 ++ {0.0} {} {40.h3} 13.94797 0.11740 0.15654 ++ {0.0} {} 0.0 0.0000 0 {} 0 112 {40.h3} 13.95754 0.04583 0.06110 ++ {0.0} {} {21.h1} 12.37465 0.07471 0.09961 ++ {0.0} {} 0.0 0.0000 0 {} 0 113 {21.h1} 12.36412 0.07238 0.09651 ++ {0.0} {} {21.h1} 12.38724 0.13083 0.17443 ++ {0.0} {} 0.0 0.0000 0 {} 0 114 {26.h1} 12.45700 0.05849 0.07799 ++ {0.0} {} {40.h3} 13.94862 0.09828 0.13105 ++ {0.0} {} 0.0 0.0000 0 {} 0 115 {40.h3} 13.96610 0.05849 0.07799 ++ {0.0} {} {26.h1} 12.46519 0.07148 0.09531 ++ {0.0} {} 0.0 0.0000 0 {} 0 116 {38.h3} 14.09385 0.09139 0.12186 ++ {0.0} {} {26.h1} 12.46295 0.10052 0.13402 ++ {0.0} {} 0.0 0.0000 0 {} 0 117 {26.h1} 12.44514 0.05484 0.07312 ++ {0.0} {} {38.h3} 14.11356 0.09047 0.12062 ++ {0.0} {} 0.0 0.0000 0 {} 0 118 {28.h1} 13.53000 0.16451 0.21935 ++ {0.0} {} {28.h1} 13.53511 0.13067 0.17423 ++ {0.0} {} 0.0 0.0000 0 {} 0 119 {38.h3} 14.11657 0.07312 0.09749 ++ {0.0} {} {28.h1} 13.49806 0.11057 0.14743 ++ {0.0} {} 0.0 0.0000 0 {} 0 120 {28.h1} 13.51337 0.03656 0.04874 ++ {0.0} {} {38.h3} 14.10787 0.09047 0.12062 ++ {0.0} {} 0.0 0.0000 0 {} 0 121 {23.h3} 13.30012 0.10967 0.14623 ++ {0.0} {} {23.h3} 13.31655 0.13067 0.17423 ++ {0.0} {} 0.0 0.0000 0 {} 0 122 {38.h3} 14.12069 0.06398 0.08530 ++ {0.0} {} {23.h3} 13.30009 0.07036 0.09382 ++ {0.0} {} 0.0 0.0000 0 {} 0 123 {26.h1} 12.45320 0.02742 0.03656 ++ {0.0} {} {23.h3} 13.31042 0.11057 0.14743 ++ {0.0} {} 0.0 0.0000 0 {} 0 124 {23.h3} 13.29893 0.07068 0.09424 ++ {0.0} {} {38.h3} 14.12837 0.08216 0.10955 ++ {0.0} {} 0.0 0.0000 0 {} 0 125 {23.h3} 13.23989 0.17277 0.23035 ++ {0.0} {} {27.h8} 7.67455 0.06390 0.08520 ++ {0.0} {} 0.0 0.0000 0 {} 0 126 {36.h1} 13.06213 0.08603 0.11471 ++ {0.0} {} {36.h1} 13.06793 0.04311 0.05748 ++ {0.0} {} 0.0 0.0000 0 {} 0 127 {28.h1} 13.50424 0.05974 0.07966 ++ {0.0} {} {36.h1} 13.06175 0.02463 0.03284 ++ {0.0} {} 0.0 0.0000 0 {} 0 128 {26.h1} 12.45546 0.12136 0.16182 ++ {0.0} {} {26.nh2} 7.96960 0.08253 0.11003 ++ {0.0} {} 0.0 0.0000 0 {} 0 129 {23.h3} 13.30645 0.05906 0.07875 ++ {0.0} {} {26.h1} 12.44811 0.02264 0.03019 ++ {0.0} {} 0.0 0.0000 0 {} 0 130 {16.h1} 12.40630 0.05317 0.07089 ++ {0.0} {} {17.h1} 12.67909 0.04808 0.06411 ++ {0.0} {} 0.0 0.0000 0 {spin diff} 0 131 {40.h3} 13.96598 0.11457 0.15276 ++ {0.0} {} {40.h3} 13.94940 0.10673 0.14231 ++ {0.0} {} 0.0 0.0000 0 {} 0 132 {19.nh1} 6.67835 0.09250 0.12334 ++ {0.0} {} {43.h1} 12.35307 0.04728 0.06304 ++ {0.0} {} 0.0 0.0000 0 {} 0 133 {19.nh2} 8.31258 0.05550 0.07400 ++ {0.0} {} {43.h1} 12.36007 0.04202 0.05603 ++ {0.0} {} 0.0 0.0000 0 {} 0 134 {41.nh1} 6.86336 0.08325 0.11100 ++ {0.0} {} {21.h1} 12.36707 0.05778 0.07704 ++ {0.0} {} 0.0 0.0000 0 {} 0 135 {41.nh2} 8.17691 0.08325 0.11100 ++ {0.0} {} {21.h1} 12.36007 0.04202 0.05603 ++ {0.0} {} 0.0 0.0000 0 {} 0 136 {44.nh1} 6.69069 0.09250 0.12334 ++ {0.0} {} {18.h1} 13.04995 0.06829 0.09105 ++ {0.0} {} 0.0 0.0000 0 {} 0 137 {44.nh2} 8.40508 0.07400 0.09867 ++ {0.0} {} {18.h1} 13.04995 0.05253 0.07004 ++ {0.0} {} 0.0 0.0000 0 {} 0 138 {45.nh1} 6.73385 0.11100 0.14801 ++ {0.0} {} {17.h1} 12.68925 0.03152 0.04202 ++ {0.0} {} 0.0 0.0000 0 {} 0 139 {45.nh2} 8.37425 0.09250 0.12334 ++ {0.0} {} {17.h1} 12.68925 0.03677 0.04903 ++ {0.0} {} 0.0 0.0000 0 {} 0 140 {154.hb} 1.88777 0.08078 0.10770 ++ {0.0} {} {154.nh2} 7.54950 0.04965 0.06621 ++ {0.0} {} 0.0 0.0000 0 {} 0 141 {154.hb} 1.88777 0.08078 0.10770 ++ {0.0} {} {154.nh1} 6.87420 0.07945 0.10593 ++ {0.0} {} 0.0 0.0000 0 {} 0 142 {154.nh2} 7.56597 0.08037 0.10716 ++ {0.0} {} {18.h1} 13.05255 0.02959 0.03945 ++ {0.0} {} 0.0 0.0000 0 {look in superlb} 0 143 {154.nh2} 7.56597 0.09016 0.12021 ++ {0.0} {} {43.h1} 12.36480 0.04052 0.05403 ++ {0.0} {} 0.0 0.0000 0 {} 0 144 {37.nh1} 6.73610 0.07978 0.10637 ++ {0.0} {} {37.nh2} 8.63743 0.06560 0.08746 ++ {0.0} {} 0.0 0.0000 0 {} 0 145 {37.nh2} 8.61394 0.09205 0.12273 ++ {0.0} {} {37.nh1} 6.72885 0.03391 0.04521 ++ {0.0} {} 0.0 0.0000 0 {} 0 146 {37.nh2} 8.64507 0.12076 0.16102 ++ {0.0} {} {28.h1} 13.49873 0.08482 0.11309 ++ {0.0} {} 0.0 0.0000 0 {} 0 147 {28.h1} 13.54039 0.14089 0.18786 ++ {0.0} {} {37.nh2} 8.67219 0.11875 0.15833 ++ {0.0} {} 0.0 0.0000 0 {} 0 148 {160.nh1} 6.75078 0.10849 0.14466 ++ {0.0} {} {160.nh2} 7.42745 0.02162 0.02883 ++ {0.0} {} 0.0 0.0000 0 {} 0 149 {160.nh2} 7.43066 0.07594 0.10126 ++ {0.0} {} {160.nh1} 6.73197 0.05405 0.07207 ++ {0.0} {} 0.0 0.0000 0 {} 0 150 {160.hd} 2.17963 0.11934 0.15912 ++ {0.0} {} {160.nh1} 7.42565 0.04865 0.06486 ++ {0.0} {} 0.0 0.0000 0 {} 0 151 {160.hd} 2.17963 0.11934 0.15912 ++ {0.0} {} {160.nh2} 6.73557 0.04324 0.05766 ++ {0.0} {} 0.0 0.0000 0 {} 0 152 {39.nh1} 6.92776 0.06683 0.08910 ++ {0.0} {} {39.nh2} 8.26253 0.03181 0.04241 ++ {0.0} {} 0.0 0.0000 0 {} 0 153 {39.nh2} 8.27390 0.04112 0.05483 ++ {0.0} {} {39.nh1} 6.95885 0.01980 0.02640 ++ {0.0} {} 0.0 0.0000 0 {} 0 154 {29.nh2} 8.26293 0.08225 0.10966 ++ {0.0} {} {29.nh1} 6.71809 0.05755 0.07674 ++ {0.0} {} 0.0 0.0000 0 {} 0 155 {34.h1} 12.53557 0.07653 0.10204 ++ {0.0} {} {36.h1} 13.04973 0.03700 0.04934 ++ {0.0} {} 0.0 0.0000 0 {} 0 156 {34.h1} 12.53786 0.11084 0.14779 ++ {0.0} {} {34.h1} 12.55435 0.10176 0.13568 ++ {0.0} {} 0.0 0.0000 0 {} 0 157 {23.h1'} 5.67993 0.11277 0.09555 ++ {0.0} {} {26.nh2} 7.96298 0.05173 0.05145 ++ {0.0} {} 0.0 0.0000 0 {} 0 158 {26.nh1} 5.75706 0.14574 0.19433 ++ {0.0} {} {39.nh1} 8.26812 0.05843 0.07790 ++ {0.0} {} 0.0 0.0000 0 {} 0 159 {149.hd} 3.00856 0.07569 0.10092 ++ {0.0} {} {149.nh} 8.03185 0.07571 0.10095 ++ {0.0} {} 0.0 0.0000 0 {} 0 160 {147.hb2} 2.89584 0.08148 0.10864 ++ {0.0} {} {149.nh} 8.03445 0.05467 0.07289 ++ {0.0} {} 0.0 0.0000 0 {} 0 161 {147.hb1} 2.77725 0.07011 0.09348 ++ {0.0} {} {149.nh} 8.03445 0.05467 0.07289 ++ {0.0} {} 0.0 0.0000 0 {} 0 162 {149.hb} 1.65261 0.09640 0.12853 ++ {0.0} {} {149.nh} 8.03445 0.05009 0.06679 ++ {0.0} {} 0.0 0.0000 0 {} 0 163 {149.hg} 1.48027 0.10516 0.14021 ++ {0.0} {} {149.nh} 8.03445 0.06839 0.09119 ++ {0.0} {} 0.0 0.0000 0 {} 0 164 {145.hd} 0.63314 0.06134 0.08179 ++ {0.0} {} {149.nh} 8.03445 0.02265 0.03019 ++ {0.0} {} 0.0 0.0000 0 {} 0 165 {148.ha} 3.80821 0.14420 0.09784 ++ {0.0} {} {149.nh} 8.03591 0.05262 0.05212 ++ {0.0} {} 0.0 0.0000 0 {} 0 166 {149.ha} 4.11153 0.09176 0.12235 ++ {0.0} {} {149.nh} 8.03928 0.02105 0.02806 ++ {0.0} {} 0.0 0.0000 0 {} 0 167 {145.g2} 1.25282 0.09157 0.12210 ++ {0.0} {} {149.nh} 8.03619 0.01915 0.02554 ++ {0.0} {} 0.0 0.0000 0 {} 0 168 {149.hd} 3.00884 0.07541 0.10055 ++ {0.0} {} {34.h8} 7.81447 0.02960 0.03947 ++ {0.0} {} 0.0 0.0000 0 {} 0 169 {149.hb} 1.64784 0.06464 0.08618 ++ {0.0} {} {34.h8} 7.81099 0.01393 0.01857 ++ {0.0} {} 0.0 0.0000 0 {} 0 170 {149.hg} 1.47906 0.07003 0.09337 ++ {0.0} {} {34.h8} 7.81099 0.01393 0.01857 ++ {0.0} {} 0.0 0.0000 0 {} 0 171 {151.hg} 1.24205 0.06464 0.08618 ++ {0.0} {} {34.h8} 7.81099 0.01915 0.02554 ++ {0.0} {} 0.0 0.0000 0 {} 0 172 {151.he} 2.82929 0.08618 0.11491 ++ {0.0} {} {34.h8} 7.81099 0.01741 0.02322 ++ {0.0} {} 0.0 0.0000 0 {} 0 173 {36.h1} 13.04374 0.03814 0.05085 ++ {0.0} {} {34.h1} 12.56419 0.10575 0.14100 ++ {0.0} {} 0.0 0.0000 0 {} 0 174 {27.h2} 7.32330 0.04064 0.05419 ++ {0.0} {} {38.h3} 14.12090 0.16300 0.21733 ++ {0.0} {} 0.0 0.0000 0 {} 0 175 {22.h2} 6.94734 0.05081 0.06774 ++ {0.0} {} {40.h3} 13.93663 0.15591 0.20788 ++ {0.0} {} 0.0 0.0000 0 {} 0 176 {20.h2} 6.81186 0.04064 0.05419 ++ {0.0} {} {42.h3} 13.22322 0.10985 0.14646 ++ {0.0} {} 0.0 0.0000 0 {} 0 177 {27.h8} 7.66539 0.06097 0.08129 ++ {0.0} {} {23.h3} 13.30117 0.16654 0.22206 ++ {0.0} {} 0.0 0.0000 0 {} 0 178 {38.h3} 14.10306 0.19666 0.26221 ++ {0.0} {} {27.h2} 7.31940 0.07117 0.09489 ++ {0.0} {} 0.0 0.0000 0 {} 0 179 {42.h3} 13.20780 0.08247 0.18773 ++ {0.0} {} {20.h2} 6.83190 0.03050 0.07318 ++ {0.0} {} 0.0 0.0000 0 {} 0 180 {40.h3} 13.97009 0.15860 0.21146 ++ {0.0} {} {22.h2} 6.96238 0.05693 0.07591 ++ {0.0} {} 0.0 0.0000 0 {} 0 181 {26.h1} 12.44044 0.06975 0.09300 ++ {0.0} {} {39.nh2} 8.27518 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 182 {26.h1} 12.44527 0.07609 0.10146 ++ {0.0} {} {39.nh1} 6.96912 0.02612 0.03482 ++ {0.0} {} 0.0 0.0000 0 {} 0 183 {18.h1} 13.03884 0.09512 0.12682 ++ {0.0} {} {44.nh2} 8.39946 0.04898 0.06531 ++ {0.0} {} 0.0 0.0000 0 {} 0 184 {18.h1} 13.05400 0.10780 0.14373 ++ {0.0} {} {44.nh1} 6.69054 0.05223 0.06964 ++ {0.0} {} 0.0 0.0000 0 {} 0 185 {17.h1} 12.68200 0.07609 0.10146 ++ {0.0} {} {45.nh2} 8.38439 0.04850 0.06467 ++ {0.0} {} 0.0 0.0000 0 {} 0 186 {17.h1} 12.68950 0.06975 0.09300 ++ {0.0} {} {45.nh1} 6.74367 0.03731 0.04975 ++ {0.0} {} 0.0 0.0000 0 {} 0 187 {43.h1} 12.36825 0.08877 0.11837 ++ {0.0} {} {19.nh2} 8.28970 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 188 {43.h1} 12.36407 0.10146 0.13527 ++ {0.0} {} {19.nh1} 6.66556 0.07089 0.09452 ++ {0.0} {} 0.0 0.0000 0 {} 0 189 {21.h1} 12.35649 0.07609 0.10146 ++ {0.0} {} {41.nh2} 8.17546 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 190 {21.h1} 12.36676 0.09512 0.12682 ++ {0.0} {} {41.nh1} 6.86603 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 191 {28.h1} 13.53324 0.10780 0.14373 ++ {0.0} {} {37.nh1} 6.71774 0.03358 0.07320 ++ {0.0} {} 0.0 0.0000 0 {} 0 192 {21.h1} 12.36404 0.07464 0.09952 ++ {0.0} {} {22.h2} 6.94931 0.02244 0.02991 ++ {0.0} {} 0.0 0.0000 0 {} 0 193 {43.h1} 12.35649 0.06975 0.09300 ++ {0.0} {} {20.h2} 6.82237 0.03358 0.04477 ++ {0.0} {} 0.0 0.0000 0 {} 0 194 {26.h1} 12.45372 0.10146 0.13527 ++ {0.0} {} {27.h2} 7.31485 0.03358 0.04477 ++ {0.0} {} 0.0 0.0000 0 {} 0 195 {26.h1} 12.45372 0.08243 0.10991 ++ {0.0} {} {27.h8} 7.65810 0.02985 0.03980 ++ {0.0} {} 0.0 0.0000 0 {} 0 196 {16.h1} 12.38608 0.09512 0.12682 ++ {0.0} {} {46.nh2} 8.10581 0.04477 0.05969 ++ {0.0} {} 0.0 0.0000 0 {} 0 197 {16.h1} 12.38608 0.09512 0.12682 ++ {0.0} {} {46.nh1} 6.91404 0.03304 0.04405 ++ {0.0} {} 0.0 0.0000 0 {} 0 198 {36.h1} 13.05920 0.08877 0.11837 ++ {0.0} {} {29.nh2} 8.29050 0.05223 0.06964 ++ {0.0} {} 0.0 0.0000 0 {} 0 199 {29.nh1} 6.69346 0.05155 0.06873 ++ {0.0} {} {29.nh2} 8.26102 0.02710 0.03614 ++ {0.0} {} 0.0 0.0000 0 {} 0 200 {36.h1} 13.06173 0.08877 0.12298 ++ {0.0} {} {29.nh1} 6.73738 0.02710 0.03614 ++ {0.0} {} 0.0 0.0000 0 {} 0 201 {26.nh1} 5.83557 0.09359 0.06537 ++ {0.0} {} {27.h8} 7.66923 0.03989 0.03903 ++ {0.0} {} 0.0 0.0000 0 {} 0 202 {27.nh2} 8.02274 0.11253 0.15004 ++ {0.0} {} {27.nh2} 8.04248 0.07647 0.10196 ++ {0.0} {} 0.0 0.0000 0 {} 0 203 {27.nh1} 7.75221 0.10571 0.14095 ++ {0.0} {} {27.nh1} 7.73485 0.06328 0.08438 ++ {0.0} {} 0.0 0.0000 0 {} 0 204 {27.nh1} 7.72948 0.07843 0.10458 ++ {0.0} {} {27.nh2} 8.03721 0.05274 0.07031 ++ {0.0} {} 0.0 0.0000 0 {} 0 205 {27.nh2} 8.02047 0.10230 0.13640 ++ {0.0} {} {27.nh1} 7.74013 0.05274 0.07031 ++ {0.0} {} 0.0 0.0000 0 {} 0 206 {27.nh2} 8.00228 0.10571 0.14095 ++ {0.0} {} {27.h2} 7.32000 0.02637 0.03516 ++ {0.0} {} 0.0 0.0000 0 {} 0 207 {27.nh1} 7.75903 0.08184 0.10912 ++ {0.0} {} {27.h2} 7.32000 0.02373 0.03164 ++ {0.0} {} 0.0 0.0000 0 {} 0 208 {20.nh2} 8.00456 0.13299 0.15004 ++ {0.0} {} {20.nh2} 7.99677 0.05010 0.06679 ++ {0.0} {} 0.0 0.0000 0 {} 0 209 {20.nh1} 7.67947 0.09889 0.13184 ++ {0.0} {} {20.nh1} 7.66981 0.07383 0.07734 ++ {0.0} {} 0.0 0.0000 0 {} 0 210 {20.nh1} 7.67947 0.08184 0.10912 ++ {0.0} {} {20.nh2} 7.98975 0.04483 0.05977 ++ {0.0} {} 0.0 0.0000 0 {} 0 211 {20.nh2} 8.02047 0.10912 0.14550 ++ {0.0} {} {20.nh1} 7.66278 0.03692 0.04922 ++ {0.0} {} 0.0 0.0000 0 {} 0 212 {20.nh1} 7.69311 0.11253 0.15004 ++ {0.0} {} {20.h2} 6.81725 0.06592 0.04571 ++ {0.0} {} 0.0 0.0000 0 {} 0 213 {22.nh1} 7.72038 0.05115 0.06820 ++ {0.0} {} {22.h2} 6.94206 0.02109 0.02813 ++ {0.0} {} 0.0 0.0000 0 {} 0 214 {22.nh2} 8.17279 0.12958 0.17278 ++ {0.0} {} {22.nh2} 8.17608 0.05537 0.07383 ++ {0.0} {} 0.0 0.0000 0 {} 0 215 {22.nh1} 7.72266 0.08525 0.11367 ++ {0.0} {} {22.nh1} 7.71200 0.06065 0.08086 ++ {0.0} {} 0.0 0.0000 0 {} 0 216 {32.h3'} 4.44538 0.02657 0.03542 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 217 {32.h2'} 4.45171 0.01518 0.02024 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 218 {31.h3'} 4.29610 0.05124 0.06832 ++ {0.0} {} {31.h6} 7.57755 0.03902 0.05203 ++ {0.0} {} 0.0 0.0000 0 {} 0 219 {31.h2'} 4.10253 0.04175 0.05567 ++ {0.0} {} {31.h6} 7.57519 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 220 {31.h2'} 4.10000 0.04554 0.06073 ++ {0.0} {} {31.h1'} 5.48096 0.06208 0.08278 ++ {0.0} {} 0.0 0.0000 0 {} 0 221 {31.h3'} 4.29357 0.02847 0.03795 ++ {0.0} {} {31.h1'} 5.48096 0.04967 0.06622 ++ {0.0} {} 0.0 0.0000 0 {} 0 222 {31.h2'} 4.10380 0.04365 0.05820 ++ {0.0} {} {31.h5} 5.56965 0.03725 0.04967 ++ {0.0} {} 0.0 0.0000 0 {} 0 223 {33.h5'} 3.82421 0.08160 0.10880 ++ {0.0} {} {33.h1'} 5.49160 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 224 {33.h2'} 4.55418 0.02467 0.03289 ++ {0.0} {} {33.h1'} 5.49160 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 225 {33.h2'} 4.56304 0.03795 0.05060 ++ {0.0} {} {33.h8} 7.56218 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 226 {33.h3'} 4.59593 0.03416 0.04554 ++ {0.0} {} {33.h8} 7.56218 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 227 {33.h3'} 4.59593 0.03226 0.04301 ++ {0.0} {} {33.h1'} 5.49397 0.01951 0.02602 ++ {0.0} {} 0.0 0.0000 0 {} 0 228 {33.h5''} 3.97349 0.03985 0.05313 ++ {0.0} {} {33.h1'} 5.49160 0.01774 0.02365 ++ {0.0} {} 0.0 0.0000 0 {} 0 229 {152.hg} 1.44079 0.08513 0.11350 ++ {0.0} {} {23.h6} 7.68000 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 230 {152/149.hb} 1.66622 0.06243 0.08324 ++ {0.0} {} {23.h6} 7.67446 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 231 {152.hd} 3.01312 0.06243 0.08324 ++ {0.0} {} {23.h6} 7.67446 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 232 {149.hb} 1.65193 0.05108 0.09073 ++ {0.0} {} {23.h1'} 5.81642 0.03524 0.04698 ++ {0.0} {} 0.0 0.0000 0 {} 0 233 {150.he} 2.83229 0.03973 0.05297 ++ {0.0} {} {23.h1'} 5.81809 0.01762 0.02349 ++ {0.0} {} 0.0 0.0000 0 {} 0 234 {149.hg} 1.49278 0.11918 0.09485 ++ {0.0} {} {23.h5} 5.72571 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 235 {149/152.hb} 1.64212 0.05675 0.07567 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 236 {151.he} 2.81499 0.03405 0.04540 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 237 {149.hd} 3.01929 0.04540 0.06053 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 238 {153.hd} 3.00909 0.04552 0.06069 ++ {0.0} {} {40.h5} 5.32591 0.01836 0.02448 ++ {0.0} {} 0.0 0.0000 0 {} 0 239 {154.hb} 2.24262 0.06063 0.08084 ++ {0.0} {} {42.h5} 5.26856 0.04655 0.06206 ++ {0.0} {} 0.0 0.0000 0 {} 0 240 {160.hb} 2.17240 0.02939 0.03919 ++ {0.0} {} {160.nh1} 7.42565 0.01361 0.01815 ++ {0.0} {} 0.0 0.0000 0 {} 0 241 {154.hg} 1.89695 0.02974 0.03965 ++ {0.0} {} {42.h5} 5.26805 0.02875 0.03833 ++ {0.0} {} 0.0 0.0000 0 {} 0 242 {33.h5''} 3.82225 0.03751 0.05002 ++ {0.0} {} {33.h8} 7.56029 0.01727 0.02303 ++ {0.0} {} 0.0 0.0000 0 {} 0 243 {31.h5''} 3.93593 0.05457 0.07276 ++ {0.0} {} {31.h6} 7.57624 0.01329 0.01771 ++ {0.0} {} 0.0 0.0000 0 {} 0 244 {31.h2'} 4.10645 0.05116 0.06821 ++ {0.0} {} {32.h8} 7.61786 0.01860 0.02480 ++ {0.0} {} 0.0 0.0000 0 {} 0 245 {31.h3'} 4.29744 0.03410 0.04547 ++ {0.0} {} {32.h8} 7.61786 0.01860 0.02480 ++ {0.0} {} 0.0 0.0000 0 {} 0 246 {31.h5'} 3.82546 0.02704 0.03605 ++ {0.0} {} {31.h1'} 5.48228 0.03903 0.05204 ++ {0.0} {} 0.0 0.0000 0 {} 0 247 {31.h5''} 3.83084 0.02934 0.03912 ++ {0.0} {} {31.h5} 5.56506 0.01829 0.02438 ++ {0.0} {} 0.0 0.0000 0 {} 0 248 {31.h5'} 3.82634 0.08089 0.10785 ++ {0.0} {} {31.h6} 7.57626 0.00621 0.00827 ++ {0.0} {} 0.0 0.0000 0 {} 0 249 {34.h1'} 5.79558 0.02809 0.03745 ++ {0.0} {} {36.h8} 7.33454 0.02180 0.02907 ++ {0.0} {} 0.0 0.0000 0 {} 0 250 {152.hg} 1.43918 0.06546 0.08728 ++ {0.0} {} {23.h5} 5.72146 0.01329 0.01772 ++ {0.0} {} 0.0 0.0000 0 {} 0 251 {153.hg} 1.64064 0.04119 0.05493 ++ {0.0} {} {40.h5} 5.31931 0.02315 0.03087 ++ {0.0} {} 0.0 0.0000 0 {} 0 252 {38.h5} 5.27670 0.01892 0.02523 ++ {0.0} {} {38.h1'} 5.56491 0.00741 0.00988 ++ {0.0} {} 0.0 0.0000 0 {} 0 253 {38.h1'} 5.57101 0.01892 0.02523 ++ {0.0} {} {38.h5} 5.27849 0.01852 0.02469 ++ {0.0} {} 0.0 0.0000 0 {} 0 254 {42.h1'} 5.29352 0.02207 0.02943 ++ {0.0} {} {43.h1'} 5.68590 0.01852 0.02469 ++ {0.0} {} 0.0 0.0000 0 {} 0 255 {152.hg} 1.51073 0.02933 0.03911 ++ {0.0} {} {38.h5bound} 5.25505 0.10073 0.13430 ++ {0.0} {} 0.0 0.0000 0 {} 0 256 {150.he} 2.83343 0.04573 0.06097 ++ {0.0} {} {38.h5alt} 5.27166 0.07448 0.09931 ++ {0.0} {} 0.0 0.0000 0 {} 0 257 {38.h5bound} 5.25604 0.05506 0.07342 ++ {0.0} {} {38.h5bound} 5.24573 0.02188 0.02917 ++ {0.0} {} 0.0 0.0000 0 {} 0 258 {22.nh1} 7.72266 0.07502 0.10003 ++ {0.0} {} {22.nh2} 8.17959 0.03955 0.05274 ++ {0.0} {} 0.0 0.0000 0 {} 0 259 {22.nh2} 8.17733 0.08866 0.11822 ++ {0.0} {} {22.nh1} 7.71728 0.04219 0.05625 ++ {0.0} {} 0.0 0.0000 0 {} 0 260 {26.nh1} 5.67018 0.06138 0.08184 ++ {0.0} {} {23.h1'} 7.30355 0.01846 0.02461 ++ {0.0} {} 0.0 0.0000 0 {need to assign} 0 261 {40.h5} 5.32859 0.06689 0.08918 ++ {0.0} {} {41.nh2} 8.17986 0.04760 0.06347 ++ {0.0} {} 0.0 0.0000 0 {} 0 262 {40.h5} 5.32859 0.10033 0.13377 ++ {0.0} {} {41.nh1} 6.86777 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 263 {36.h1} 13.07631 0.08643 0.11524 ++ {0.0} {} {28.h1} 13.54391 0.04940 0.06586 ++ {0.0} {} 0.0 0.0000 0 {} 0 264 {16.h1} 12.40672 0.08322 0.11096 ++ {0.0} {} {16.h1} 12.40699 0.04920 0.06560 ++ {0.0} {} 0.0 0.0000 0 {} 0 265 {144.ha} 3.74715 0.05999 0.07998 ++ {0.0} {} {145.nh} 8.40552 0.02529 0.03372 ++ {0.0} {} 0.0 0.0000 0 {} 0 266 {144.ha} 3.74715 0.05999 0.07998 ++ {0.0} {} {149.nh} 8.03570 0.03372 0.04496 ++ {0.0} {} 0.0 0.0000 0 {} 0 267 {148.ha} 3.80658 0.07414 0.09885 ++ {0.0} {} {148.nh} 8.32852 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 268 {144.ha} 3.74715 0.08248 0.10998 ++ {0.0} {} {144.nh} 8.32852 0.03006 0.04009 ++ {0.0} {} 0.0 0.0000 0 {} 0 269 {158.hb} 1.19765 0.06749 0.08998 ++ {0.0} {} {159.nh} 8.44487 0.01855 0.02473 ++ {0.0} {} 0.0 0.0000 0 {} 0 270 {159.hb1} 3.07228 0.07499 0.09998 ++ {0.0} {} {159.nh} 8.44487 0.01855 0.02473 ++ {0.0} {} 0.0 0.0000 0 {} 0 271 {159.ha} 4.51700 0.11998 0.15997 ++ {0.0} {} {159.nh} 8.44487 0.01855 0.02473 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 12 CA . . 21.4293891600084 ppm . . . . . . 27567 3 stop_ save_ save_TARGUProtD2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARGUProtD2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $DeutD2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'TAR AC Deuterated with Tat RBD' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 2H 6996.26904297 6996.26904297 699.932983398 699.932983398 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 0 {16.h1'} 5.68099 0.01691 0.02255 ++ {0.0} {} {16.h8} 7.98846 0.03452 0.04602 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {16.h1'} 5.68099 0.01393 0.01857 ++ {0.0} {} {17.h8} 7.42850 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {17.h1'} 5.82449 0.02089 0.02786 ++ {0.0} {} {17.h8} 7.42894 0.01726 0.02301 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {17.h1'} 5.81682 0.02288 0.03051 ++ {0.0} {} {18.h8} 7.13231 0.04027 0.02419 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {18.h1'} 5.67298 0.02089 0.02786 ++ {0.0} {} {18.h8} 7.13507 0.02877 0.03835 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {21.h1'} 5.40169 0.02089 0.04335 ++ {0.0} {} {21.h8} 6.85577 0.04315 0.03895 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {40.h5} 5.32740 0.02587 0.03449 ++ {0.0} {} {40.h6} 7.88298 0.04027 0.05370 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {40.h1'} 5.37118 0.01592 0.02123 ++ {0.0} {} {40.h6} 7.88298 0.02877 0.03835 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {43.h1'} 5.68293 0.01990 0.02653 ++ {0.0} {} {43.h8} 7.69313 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {25.h1'} 5.89320 0.02587 0.03449 ++ {0.0} {} {25.h6} 7.75450 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {25.h5} 5.83417 0.01990 0.02653 ++ {0.0} {} {25.h6} 7.75450 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {23.h1'} 5.71485 0.02089 0.02786 ++ {0.0} {} {23.h6} 7.67012 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {23.h5} 5.72605 0.03184 0.04245 ++ {0.0} {} {23.h6} 7.67012 0.04027 0.05370 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {34.h1'} 5.81559 0.03084 0.04112 ++ {0.0} {} {34.h8} 7.81395 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {38.h1'} 5.57083 0.01592 0.02123 ++ {0.0} {} {38.h6} 7.69505 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {38.h5} 5.27962 0.02388 0.05326 ++ {0.0} {} {38.h6} 7.69708 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {42.h5} 5.24342 0.02885 0.05443 ++ {0.0} {} {42.h6} 7.69034 0.04890 0.05432 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {32.h1'} 5.31745 0.02786 0.03715 ++ {0.0} {} {32.h8} 7.61450 0.03740 0.04986 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {42.h1'} 5.29769 0.01990 0.02110 ++ {0.0} {} {42.h6} 7.67559 0.03740 0.02585 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {42.h1'} 5.29721 0.02089 0.02786 ++ {0.0} {} {27.h8} 7.69309 0.03164 0.04219 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {31.h5minor} 5.07534 0.03880 0.05174 ++ {0.0} {} {31.h6minor} 7.65478 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {31.h5} 5.56619 0.02786 0.03715 ++ {0.0} {} {31.h6} 7.57807 0.04315 0.05753 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {31.h1'} 5.51728 0.02189 0.02919 ++ {0.0} {} {31.h6} 7.57596 0.03452 0.04603 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {33.h1'} 5.49037 0.03482 0.04643 ++ {0.0} {} {33.h8} 7.57681 0.05753 0.05067 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {36.h1'} 5.32621 0.03482 0.04643 ++ {0.0} {} {36.h8} 7.35542 0.03452 0.04603 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {28.h1'} 5.75272 0.01791 0.04897 ++ {0.0} {} {28.h8} 7.45280 0.04315 0.04576 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {32.h2'} 4.45424 0.02467 0.03289 ++ {0.0} {} {32.h1'} 5.31659 0.01242 0.01656 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {32.h3'} 4.44791 0.02467 0.03289 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {32.h4'} 3.92795 0.03416 0.04554 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {32.h5'/5''} 3.82421 0.04554 0.06073 ++ {0.0} {} {32.h1'} 5.31659 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {32.h5'/5''} 3.82421 0.06262 0.08350 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {32.h4'} 3.93174 0.02847 0.03795 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {32.h3'} 4.44538 0.02657 0.03542 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {32.h2'} 4.45171 0.01518 0.02024 ++ {0.0} {} {32.h8} 7.61894 0.02483 0.03311 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {31.h3'} 4.29610 0.05124 0.06832 ++ {0.0} {} {31.h6} 7.57755 0.03902 0.05203 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {31.h2'} 4.10253 0.04175 0.05567 ++ {0.0} {} {31.h6} 7.57519 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {31.h2'} 4.10000 0.04554 0.06073 ++ {0.0} {} {31.h1'} 5.48096 0.06208 0.08278 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {31.h3'} 4.29357 0.02847 0.03795 ++ {0.0} {} {31.h1'} 5.48096 0.04967 0.06622 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {31.h2'} 4.10380 0.04365 0.05820 ++ {0.0} {} {31.h5} 5.56965 0.03725 0.04967 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {33.h5'} 3.82421 0.08160 0.10880 ++ {0.0} {} {33.h1'} 5.49160 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {33.h2'} 4.55418 0.02467 0.03289 ++ {0.0} {} {33.h1'} 5.49160 0.02838 0.03784 ++ {0.0} {} 0.0 0.0000 0 {} 0 41 {33.h2'} 4.56304 0.03795 0.05060 ++ {0.0} {} {33.h8} 7.56218 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 42 {33.h3'} 4.59593 0.03416 0.04554 ++ {0.0} {} {33.h8} 7.56218 0.02129 0.02838 ++ {0.0} {} 0.0 0.0000 0 {} 0 43 {33.h3'} 4.59593 0.03226 0.04301 ++ {0.0} {} {33.h1'} 5.49397 0.01951 0.02602 ++ {0.0} {} 0.0 0.0000 0 {} 0 44 {33.h5''} 3.97349 0.03985 0.05313 ++ {0.0} {} {33.h1'} 5.49160 0.01774 0.02365 ++ {0.0} {} 0.0 0.0000 0 {} 0 45 {149.hd} 3.02826 0.06810 0.09080 ++ {0.0} {} {34.h8} 7.81071 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 46 {151.he} 2.81638 0.04540 0.06053 ++ {0.0} {} {34.h8} 7.81071 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 47 {149.hb} 1.67001 0.10783 0.14377 ++ {0.0} {} {34.h8} 7.81071 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 48 {149.hg} 1.45804 0.09648 0.08342 ++ {0.0} {} {34.h8} 7.81131 0.02819 0.03027 ++ {0.0} {} 0.0 0.0000 0 {} 0 49 {152/149.hg} 1.44079 0.08513 0.11350 ++ {0.0} {} {23.h6} 7.68000 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 50 {149.hb} 1.66622 0.06243 0.08324 ++ {0.0} {} {23.h6} 7.67446 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 51 {152/149.hd} 3.01312 0.06243 0.08324 ++ {0.0} {} {23.h6} 7.67446 0.04229 0.05638 ++ {0.0} {} 0.0 0.0000 0 {} 0 52 {149.hb} 1.65193 0.05108 0.09073 ++ {0.0} {} {23.h1'} 5.81642 0.03524 0.04698 ++ {0.0} {} 0.0 0.0000 0 {} 0 53 {150.he} 2.83229 0.03973 0.05297 ++ {0.0} {} {23.h1'} 5.81809 0.01762 0.02349 ++ {0.0} {} 0.0 0.0000 0 {} 0 54 {149.hg} 1.49278 0.11918 0.09485 ++ {0.0} {} {23.h5} 5.72571 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 55 {149.hb} 1.64212 0.05675 0.07567 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 56 {151.he} 2.81499 0.03405 0.04540 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 57 {149.hd} 3.01929 0.04540 0.06053 ++ {0.0} {} {23.h5} 5.72460 0.02819 0.03759 ++ {0.0} {} 0.0 0.0000 0 {} 0 58 {153.hd} 3.00909 0.04552 0.06069 ++ {0.0} {} {40.h5} 5.32591 0.01836 0.02448 ++ {0.0} {} 0.0 0.0000 0 {} 0 59 {154.hg1} 2.24262 0.06063 0.08084 ++ {0.0} {} {42.h5} 5.26856 0.04655 0.06206 ++ {0.0} {} 0.0 0.0000 0 {} 0 60 {160.hb} 2.17240 0.02939 0.03919 ++ {0.0} {} {160.nh1} 7.42565 0.01361 0.01815 ++ {0.0} {} 0.0 0.0000 0 {} 0 61 {154.hb} 1.89695 0.02974 0.03965 ++ {0.0} {} {42.h5} 5.26805 0.02875 0.03833 ++ {0.0} {} 0.0 0.0000 0 {} 0 62 {151.hg} 1.28774 0.03452 0.04603 ++ {0.0} {} {34.h8} 7.81128 0.02496 0.03328 ++ {0.0} {} 0.0 0.0000 0 {} 0 63 {32.h1'} 5.31600 0.02566 0.03421 ++ {0.0} {} {31.h6} 7.57739 0.01217 0.01623 ++ {0.0} {} 0.0 0.0000 0 {} 0 64 {33.h5''} 3.82225 0.03751 0.05002 ++ {0.0} {} {33.h8} 7.56029 0.01727 0.02303 ++ {0.0} {} 0.0 0.0000 0 {} 0 65 {31.h5''} 3.93593 0.05457 0.07276 ++ {0.0} {} {31.h6} 7.57624 0.01329 0.01771 ++ {0.0} {} 0.0 0.0000 0 {} 0 66 {31.h2'} 4.10645 0.05116 0.06821 ++ {0.0} {} {32.h8} 7.61786 0.01860 0.02480 ++ {0.0} {} 0.0 0.0000 0 {} 0 67 {31.h3'} 4.29744 0.03410 0.04547 ++ {0.0} {} {32.h8} 7.61786 0.01860 0.02480 ++ {0.0} {} 0.0 0.0000 0 {} 0 68 {31.h5'} 3.82546 0.02704 0.03605 ++ {0.0} {} {31.h1'} 5.48228 0.03903 0.05204 ++ {0.0} {} 0.0 0.0000 0 {} 0 69 {31.h5''} 3.83084 0.02934 0.03912 ++ {0.0} {} {31.h5} 5.56506 0.01829 0.02438 ++ {0.0} {} 0.0 0.0000 0 {} 0 70 {31.h5'} 3.82634 0.08089 0.10785 ++ {0.0} {} {31.h6} 7.57626 0.00621 0.00827 ++ {0.0} {} 0.0 0.0000 0 {} 0 71 {34.h1'} 5.81807 0.02809 0.03745 ++ {0.0} {} {36.h8} 7.34524 0.02180 0.02907 ++ {0.0} {} 0.0 0.0000 0 {} 0 72 {152.hg} 1.43918 0.06546 0.08728 ++ {0.0} {} {23.h5} 5.72146 0.01329 0.01772 ++ {0.0} {} 0.0 0.0000 0 {} 0 73 {153.hg} 1.64064 0.04119 0.05493 ++ {0.0} {} {40.h5} 5.31931 0.02315 0.03087 ++ {0.0} {} 0.0 0.0000 0 {} 0 74 {38.h5} 5.27670 0.01892 0.02523 ++ {0.0} {} {38.h1'} 5.56491 0.00741 0.00988 ++ {0.0} {} 0.0 0.0000 0 {} 0 75 {38.h1'} 5.57101 0.01892 0.02523 ++ {0.0} {} {38.h5} 5.27849 0.01852 0.02469 ++ {0.0} {} 0.0 0.0000 0 {} 0 76 {42.h1'} 5.29352 0.02207 0.02943 ++ {0.0} {} {27.h1'} 5.68590 0.01852 0.02469 ++ {0.0} {} 0.0 0.0000 0 {} 0 77 {149/152.hg} 1.45244 0.02933 0.10505 ++ {0.0} {} {38.h5bound} 5.24921 0.10073 0.11715 ++ {0.0} {} 0.0 0.0000 0 {} 0 78 {150.he} 2.83343 0.04573 0.06097 ++ {0.0} {} {38.h5alt} 5.27166 0.07448 0.09931 ++ {0.0} {} 0.0 0.0000 0 {} 0 79 {38.h5bound} 5.25604 0.05506 0.07342 ++ {0.0} {} {38.h5bound} 5.24573 0.02188 0.02917 ++ {0.0} {} 0.0 0.0000 0 {} 0 80 {27.h1'} 5.67523 0.01462 0.01950 ++ {0.0} {} {42.h1'} 5.29891 0.01059 0.01412 ++ {0.0} {} 0.0 0.0000 0 {} 0 81 {152.hd} 3.00742 0.03109 0.04145 ++ {0.0} {} {38.h5bound} 5.24710 0.03797 0.05062 ++ {0.0} {} 0.0 0.0000 0 {} 0 82 {149.hd} 3.02556 0.01749 0.02331 ++ {0.0} {} {38.h5bound} 5.24710 0.03797 0.05062 ++ {0.0} {} 0.0 0.0000 0 {} 0 83 {152/149.hb} 1.66298 0.05829 0.07771 ++ {0.0} {} {38.h5bound} 5.24710 0.06717 0.08956 ++ {0.0} {} 0.0 0.0000 0 {} 0 84 {26.h1'} 5.81552 0.02216 0.02239 ++ {0.0} {} {26.h8} 7.66775 0.02280 0.03040 ++ {0.0} {} 0.0 0.0000 0 {} 0 85 {26.h2'} 4.88431 0.05438 0.07251 ++ {0.0} {} {26.h8} 7.66596 0.02964 0.03953 ++ {0.0} {} 0.0 0.0000 0 {} 0 86 {151.hd} 1.52824 0.04274 0.05699 ++ {0.0} {} {34.h8} 7.81054 0.01796 0.02395 ++ {0.0} {} 0.0 0.0000 0 {} 0 87 {152.hb} 1.59093 0.05556 0.07408 ++ {0.0} {} {23.h5} 5.72710 0.01617 0.02155 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 12 CA . . 6995.86924091386 Hz . . . . . . 27567 4 stop_ save_ save_TARGAProtD2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARGAProtD2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 5 _Spectral_peak_list.Sample_ID 4 _Spectral_peak_list.Sample_label $DeutD2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 5 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'TAR UC Deuterated with Tat RBD' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 2H 1H 6996.26904297 6996.26904297 699.932983398 699.932983398 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U vol int stat comment flag0 0 {16.h8} 7.98399 0.11028 0.14705 ++ {0.0} {} {16.h1'} 5.69593 0.01920 0.02560 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {17.h8} 7.42796 0.10339 0.13786 ++ {0.0} {} {16.h1'} 5.69382 0.01600 0.02133 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {17.h8} 7.41877 0.08961 0.11948 ++ {0.0} {} {17.h1'} 5.81754 0.01280 0.01707 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {18.h8} 7.13846 0.10339 0.13786 ++ {0.0} {} {17.h1'} 5.81754 0.02240 0.02986 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {18.h8} 7.13846 0.09650 0.12867 ++ {0.0} {} {1,h1'} 5.66822 0.02880 0.03840 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {20.h8} 7.80936 0.08271 0.11029 ++ {0.0} {} {20.h1'} 5.85167 0.02240 0.02986 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {21.h8} 6.83518 0.05514 0.07352 ++ {0.0} {} {20.h1'} 5.85167 0.02240 0.02986 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {21.h8} 6.83518 0.09650 0.12867 ++ {0.0} {} {21.h1'} 5.39731 0.02880 0.03840 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {20.h2} 6.81220 0.08961 0.11948 ++ {0.0} {} {21.h1'} 5.39731 0.03200 0.04266 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {20.h2} 6.81220 0.06893 0.09190 ++ {0.0} {} {43.h1} 5.67675 0.02880 0.03840 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {43.h8} 7.68989 0.08961 0.11948 ++ {0.0} {} {43.h1} 5.67675 0.03200 0.04266 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {22.h8} 7.58420 0.07582 0.10109 ++ {0.0} {} {21.h1'} 5.39944 0.02880 0.03840 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {22.h8} 7.58420 0.06204 0.08271 ++ {0.0} {} {22.h1'} 5.83248 0.01600 0.02133 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {35.h8} 8.21681 0.11431 0.15242 ++ {0.0} {} {35.h1'} 5.92246 0.02892 0.03857 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {27.h2} 7.31677 0.08502 0.11336 ++ {0.0} {} {28.h1'} 5.74421 0.02025 0.02701 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {28.h8} 7.37623 0.04251 0.05668 ++ {0.0} {} {28.h1'} 5.74646 0.01688 0.02251 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {27.h8} 7.66053 0.08483 0.11311 ++ {0.0} {} {27.h1'} 5.92214 0.01019 0.01359 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {27.h8} 7.66053 0.07712 0.10283 ++ {0.0} {} {26.h1'} 5.81458 0.01868 0.02491 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {26.h8} 7.66053 0.09254 0.12339 ++ {0.0} {} {26.h1'} 5.81458 0.02038 0.02717 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {26.h8} 7.66053 0.10797 0.14396 ++ {0.0} {} {26.h2'} 4.87487 0.04416 0.05887 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {36.h8} 7.37454 0.05784 0.07712 ++ {0.0} {} {36.h1'} 5.27075 0.01025 0.01367 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {35.h2} 8.11204 0.05061 0.06748 ++ {0.0} {} {36.h1'} 5.27075 0.02393 0.03190 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {36.h8} 7.38418 0.04338 0.05784 ++ {0.0} {} {34.h1'} 5.80401 0.01709 0.02279 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {34.h8} 7.82282 0.08676 0.11569 ++ {0.0} {} {34.h1'} 5.80401 0.02393 0.03190 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {32.h8} 7.62037 0.12292 0.16389 ++ {0.0} {} {32.h1'} 5.30949 0.04786 0.06381 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {33.h8} 7.55199 0.09038 0.12051 ++ {0.0} {} {33.h1'} 5.48753 0.04273 0.05697 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {22.h2} 6.94802 0.01124 0.01499 ++ {0.0} {} {22.h1'} 5.82505 0.08010 0.10680 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {28.h8} 7.38141 0.05581 0.07441 ++ {0.0} {} {27.h1'} 5.91511 0.01216 0.01621 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {34.h8} 7.79523 0.02457 0.03276 ++ {0.0} {} {149.hd} 3.02362 0.08867 0.11822 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {34.h8} 7.79851 0.02457 0.03276 ++ {0.0} {} {151.he} 2.81006 0.06864 0.09153 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {34.h8} 7.79851 0.02457 0.03276 ++ {0.0} {} {149.hb} 1.65074 0.09725 0.12966 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {34.h8} 7.79851 0.02457 0.03276 ++ {0.0} {} {149.hg} 1.47531 0.07436 0.09915 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {27.h8} 7.66972 0.02150 0.02866 ++ {0.0} {} {152.hg} 1.47531 0.11405 0.15207 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {27.h8} 7.66972 0.02150 0.02866 ++ {0.0} {} {152.hd} 3.01766 0.05720 0.07627 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {22.h8} 7.60011 0.02764 0.03685 ++ {0.0} {} {152.hg} 1.46363 0.08223 0.10964 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {22.h8} 7.60011 0.02764 0.03685 ++ {0.0} {} {152.hd} 3.01051 0.06793 0.09057 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {27.h1'} 5.92075 0.02859 0.03812 ++ {0.0} {} {152.hb} 1.57855 0.07402 0.09869 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {22.h1'} 5.81047 0.02655 0.03540 ++ {0.0} {} {152.hb} 1.57855 0.07402 0.09869 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {34.h8} 7.79959 0.01884 0.02512 ++ {0.0} {} {151.hg} 1.24641 0.05911 0.07882 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 12 CA . . 6995.86924091386 Hz . . . . . . 27567 5 stop_ save_ save_GCHSQCAmino _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode GCHSQCAmino _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 6 _Spectral_peak_list.Sample_ID 5 _Spectral_peak_list.Sample_label $HSQC _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'GC 13C 15N HSQC for aminos' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 2H 15N 7500.0 5681.81787109 699.932983398 70.9339981079 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 0 {37.nh1} 8.63277 0.06781 0.09041 ++ {0.0} {} {37.nh1} 182.45755 0.47583 0.63444 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {39.nh1} 8.25892 0.05477 0.07302 ++ {0.0} {} {39.nh1} 177.51625 1.13466 1.51288 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {46.nh1} 8.10766 0.04955 0.06607 ++ {0.0} {} {46.nh1} 178.88272 0.71374 0.95165 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {46.nh2} 6.86278 0.03390 0.04521 ++ {0.0} {} {46.nh1} 178.88272 0.67714 0.90285 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {39.nh2} 6.96014 0.06259 0.08346 ++ {0.0} {} {39.nh2} 177.57726 0.54903 0.73204 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {37.nh2} 6.69761 0.05738 0.07650 ++ {0.0} {} {37.nh2} 182.35992 0.58563 0.78084 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {44.nh1} 8.38237 0.04955 0.06607 ++ {0.0} {} {44.nh1} 182.73814 0.69544 0.92725 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {44.nh2} 6.70108 0.03912 0.05216 ++ {0.0} {} {44.nh2} 182.73814 0.43922 0.58563 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {45.nh1} 8.37715 0.03912 0.05216 ++ {0.0} {} {45.nh1} 181.37166 0.96995 1.29327 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {45.nh2} 6.73760 0.01826 0.02434 ++ {0.0} {} {45.nh2} 181.34726 0.65884 0.87845 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {19.nh1} 8.28500 0.04694 0.06259 ++ {0.0} {} {19.nh1} 180.88364 0.95165 1.26887 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {19.nh2} 6.68544 0.05477 0.07302 ++ {0.0} {} {19.nh2} 180.88364 0.58563 0.78084 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {41.nh1} 8.16677 0.07042 0.09389 ++ {0.0} {} {41.nh1} 180.57861 0.58563 0.78084 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {41.nh2} 6.86104 0.04434 0.05911 ++ {0.0} {} {41.nh2} 180.46881 0.64054 0.85405 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {29.nh2} 6.78628 0.05738 0.07650 ++ {0.0} {} {29.nh2} 179.79778 0.40262 0.53683 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {29.nh1} 8.27166 0.04955 0.06607 ++ {0.0} {} {29.nh1} 179.61469 0.71374 0.95165 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {44.other} 8.48842 0.07563 0.10084 ++ {0.0} {} {44.other} 182.06711 1.07976 1.43968 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {30.nh1} 7.87400 0.07839 0.10452 ++ {0.0} {} {30.nh1} 180.17979 1.52876 2.03834 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {30.nh2} 6.58799 0.07157 0.09543 ++ {0.0} {} {30.nh2} 180.17979 1.52876 2.03834 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . N 15 N . . 7224.07762653645 Hz . . . . . . 27567 6 stop_ save_ save_TARGUHMQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode TARGUHMQC _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 7 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $HMQC _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 '2D 1H-13C HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details '13C 15N GU of TAR' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C 6009.61523437 6009.61523437 700.132995605 176.067001343 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {25.h1'} 5.89228 0.04696 0.06262 ++ {0.0} {} {25.c1'} 122.04453 0.69990 0.93320 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {17.h1'} 5.82111 0.03400 0.04533 ++ {0.0} {} {17.c1'} 126.16032 0.66403 0.88537 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {23.h1'} 5.71776 0.03283 0.06853 ++ {0.0} {} {23.c1'} 119.62791 0.82555 0.82985 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {26.h1'} 5.81720 0.02462 0.03283 ++ {0.0} {} {26.c1'} 124.13832 0.59224 0.78966 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {28.h1'} 5.74999 0.02579 0.03439 ++ {0.0} {} {28.c1'} 123.97083 0.44867 0.59822 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {40.h1'} 5.36545 0.04807 0.06409 ++ {0.0} {} {40.c1'} 120.91988 0.87939 1.17252 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {25.h5} 5.82894 0.09068 0.12090 ++ {0.0} {} {25.c5} 104.31845 1.91845 2.55793 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {23.h5} 5.73644 0.03922 0.05229 ++ {0.0} {} {23.c5} 104.27279 0.87102 1.16136 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {40.h5} 5.32715 0.04374 0.05833 ++ {0.0} {} {40.c5} 101.42218 1.14816 1.53088 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {42.h5} 5.21955 0.04374 0.05833 ++ {0.0} {} {42.c5} 101.99406 0.88422 1.17896 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {38.h5} 5.25475 0.03922 0.05229 ++ {0.0} {} {38.c5} 101.83569 0.71265 0.95020 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {31.h5} 5.62482 0.03771 0.05028 ++ {0.0} {} {31.c5} 104.07043 1.18776 1.58367 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {31.h5alt} 5.51420 0.06335 0.08447 ++ {0.0} {} {31.c5alt} 103.82408 1.45170 1.93560 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {34.h1'} 5.81412 0.02234 0.06642 ++ {0.0} {} {34.c1'} 120.47768 0.62645 0.89201 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {42.h1'} 5.30396 0.03175 0.04233 ++ {0.0} {} {42.c1'} 124.83716 0.79351 1.05801 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {21.h1'} 5.41095 0.03527 0.04703 ++ {0.0} {} {21.c1'} 123.91557 0.62645 0.83527 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {32.h1'} 5.37098 0.02822 0.03762 ++ {0.0} {} {32.c1'} 125.15456 0.58469 0.77959 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {36.h1'} 5.32903 0.03175 0.04233 ++ {0.0} {} {36.c1'} 120.85199 0.73086 0.97448 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {38.h1'} 5.57242 0.02587 0.03449 ++ {0.0} {} {38.c1'} 124.65340 0.64734 0.86311 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {16.h1'} 5.69765 0.02234 0.02979 ++ {0.0} {} {16.c1'} 122.07668 0.56381 0.75174 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {43.h1'} 5.67432 0.02234 0.02979 ++ {0.0} {} {43.c1'} 124.19400 0.91880 1.22506 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {18.h1'} 5.66232 0.02468 0.03291 ++ {0.0} {} {18.c1'} 124.17258 0.65708 0.87611 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {33.h1'} 5.45803 0.06170 0.04661 ++ {0.0} {} {33.c1'} 124.31495 0.49281 0.65708 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {31.h1'} 5.51836 0.06787 0.09049 ++ {0.0} {} {31.c1'} 120.83243 0.57494 0.76659 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {21.h8} 6.87796 0.03472 0.04629 ++ {0.0} {} {21.c8} 104.47354 0.46307 0.61743 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {16.h8} 8.14112 0.04216 0.05621 ++ {0.0} {} {16.c8} 108.46480 0.49615 0.66153 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {40.h6} 7.88322 0.03472 0.04629 ++ {0.0} {} {40.c6} 112.03710 0.69461 0.92615 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {34.h8} 7.83858 0.03224 0.04299 ++ {0.0} {} {34.c8} 109.56737 0.59538 0.79384 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {25.h6} 7.75591 0.03968 0.05291 ++ {0.0} {} {25.c6} 114.50684 0.86000 1.14666 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {28.h8} 7.44177 0.03472 0.04629 ++ {0.0} {} {28.c8} 108.13404 0.39692 0.52923 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {17.h8} 7.43185 0.03224 0.04299 ++ {0.0} {} {17.c8} 104.20892 0.29769 0.39692 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {18.h8} 7.18715 0.04464 0.05952 ++ {0.0} {} {18.c8} 104.93661 0.43000 0.57333 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {36.h8} 7.35910 0.04216 0.05622 ++ {0.0} {} {36.c8} 104.25303 0.33077 0.44102 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {33.h8} 7.50460 0.04960 0.06614 ++ {0.0} {} {33.c8} 105.86276 0.56231 0.74974 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {31.h6} 7.54593 0.04960 0.06614 ++ {0.0} {} {31.c6} 112.47813 0.79384 1.05846 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {23.h6} 7.59719 0.03968 0.05291 ++ {0.0} {} {23.c6} 114.08786 0.79384 1.05846 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {32.h8} 7.61207 0.04712 0.06283 ++ {0.0} {} {32.c8} 109.36890 0.39692 0.52923 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {38.h6} 7.67820 0.02232 0.02976 ++ {0.0} {} {38.c6} 111.57403 0.66154 0.88205 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {42.h6} 7.70631 0.03224 0.04299 ++ {0.0} {} {42.c6} 111.57403 0.66154 0.88205 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {43.h8} 7.70300 0.05952 0.07936 ++ {0.0} {} {43.c8} 105.55405 0.36384 0.48513 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {26.h8} 7.66993 0.03224 0.04299 ++ {0.0} {} {26.c8} 107.95763 0.26461 0.35282 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 13 CA . . 7226.1418526482 Hz . . . . . . 27567 7 stop_ save_ save_Pep1HMQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Pep1HMQC _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 8 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $HMQC _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 '2D 1H-13C HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Pep1 backbone, labeled residues R49, K50, R57, A58' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C 7002.80078125 5208.33300781 699.932983398 176.009994507 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {158.ha} 4.11104 0.08689 0.11586 ++ {0.0} {} {158.ca} 82.14172 0.96215 1.28287 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {158.hb} 1.21290 0.14120 0.18827 ++ {0.0} {} {158.cb} 78.32345 1.55777 2.07703 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {150.he} 2.84768 0.07603 0.10138 ++ {0.0} {} {150.ce} 71.35238 0.82470 1.09961 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {150.hd} 1.54043 0.08689 0.11586 ++ {0.0} {} {150.cd} 58.68347 0.91634 1.22178 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {150.hg1} 1.33043 0.04345 0.05793 ++ {0.0} {} {150.cg1} 84.00494 0.87052 1.16069 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {150.hg2} 1.25802 0.08689 0.11586 ++ {0.0} {} {150.cg2} 84.00494 0.87052 1.16069 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {150.hb} 1.60560 0.09776 0.13034 ++ {0.0} {} {150.cb} 60.42451 0.91634 1.22178 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {149.hb} 1.65628 0.08689 0.11586 ++ {0.0} {} {149.cb} 62.37936 0.50399 0.67198 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {157.hb} 1.67801 0.09776 0.13034 ++ {0.0} {} {157.cb} 60.36342 1.00797 1.34396 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {157.hd} 3.02487 0.09776 0.13034 ++ {0.0} {} {157.cd} 72.85616 1.05379 1.40505 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {157.hg} 1.46801 0.10862 0.14482 ++ {0.0} {} {157.hg} 86.32632 1.37451 1.83268 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {149.hg} 1.44629 0.11948 0.15931 ++ {0.0} {} {149.cg} 86.23469 1.42032 1.89376 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {149.hd} 3.00372 0.08366 0.11154 ++ {0.0} {} {149.cd} 72.81445 0.96270 1.28360 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 13 CA . . 7224.07763376122 Hz . . . . . . 27567 8 stop_ save_ save_Pep2HMQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Pep2HMQC _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 9 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $HMQC _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 '2D 1H-13C HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Pep2 backbone, labeled residues K51, R52, Q54, R55' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C 7002.80078125 5208.33300781 699.932983398 176.009994507 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {151.he} 2.82118 0.08469 0.11292 ++ {0.0} {} {151.ce} 71.36297 1.03021 1.37362 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {154.hg1/2} 2.23774 0.11292 0.15057 ++ {0.0} {} {154.cg1/2} 63.37881 0.98729 1.31638 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {154.hb} 1.89270 0.18821 0.25094 ++ {0.0} {} {154.cb} 59.22935 1.03021 1.37362 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {151.hd} 1.51628 0.12233 0.16311 ++ {0.0} {} {151.cd} 58.54253 0.72973 0.97298 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {151.hg} 1.25906 0.09410 0.12547 ++ {0.0} {} {151.cg} 83.86860 1.11606 1.48809 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {151.hb} 1.64803 0.04705 0.06274 ++ {0.0} {} {151.cb} 60.40265 0.98729 1.31638 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {155.hd} 3.04076 0.14116 0.18821 ++ {0.0} {} {155.cd} 72.79381 0.72973 0.97298 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {152.hb} 1.60411 0.11292 0.15057 ++ {0.0} {} {152.cb} 62.29137 0.85851 1.14468 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {152.hg} 1.43339 0.16939 0.22585 ++ {0.0} {} {152.cg} 86.33617 0.81559 1.08745 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {155.hb} 1.59156 0.15057 0.20075 ++ {0.0} {} {155.cb} 60.34541 0.77266 1.03021 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {155.hg} 1.41144 0.14116 0.18821 ++ {0.0} {} {155.cg} 86.40821 0.94436 1.25915 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {151.ha} 4.08784 0.05691 0.07588 ++ {0.0} {} {151.ca} 85.56094 1.04143 1.38857 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {152.hd} 3.00622 0.04871 0.06495 ++ {0.0} {} {152.cd} 72.79317 0.49416 0.65887 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {152.ha} 4.10049 0.01408 0.01877 ++ {0.0} {} {152.ca} 85.58976 0.46420 0.61894 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {154.ha} 4.09310 0.02909 0.03878 ++ {0.0} {} {154.ca} 85.56419 0.87083 1.16111 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {155.ha} 4.13029 0.03166 0.04221 ++ {0.0} {} {155.ca} 85.56419 0.98122 1.30829 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 13 CA . . 7224.07763376122 Hz . . . . . . 27567 9 stop_ save_ save_Pep3HMQC _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Pep3HMQC _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 10 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $HMQC _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 '2D 1H-13C HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Pep3 backbone, labeled residues R53, Q54, R56' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 13C 7002.80078125 5208.33300781 699.932983398 176.009994507 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 13C.L 13C.P 13C.W 13C.B 13C.E 13C.J 13C.U vol int stat comment flag0 0 {154.hg1/2} 2.22832 0.10610 0.14147 ++ {0.0} {} {154.cg1/2} 63.44349 1.12680 1.50239 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {154.hb} 1.91001 0.13263 0.17684 ++ {0.0} {} {154.cb} 59.04362 0.96582 1.28777 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {153.hd} 3.04718 0.04878 0.06504 ++ {0.0} {} {153.cd} 72.68512 0.61539 0.82052 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {153.hb} 1.63796 0.09756 0.13008 ++ {0.0} {} {153.cb} 60.25112 0.71006 0.94675 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {153.hg} 1.43742 0.08943 0.11924 ++ {0.0} {} {153.cg} 86.31834 1.08876 1.45169 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {156.hd} 2.97672 0.04878 0.06504 ++ {0.0} {} {156.cd} 72.74824 0.61539 0.82052 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {156.hb} 1.68674 0.11382 0.15176 ++ {0.0} {} {156.cb} 60.18800 0.71006 0.94675 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {156.hg} 1.48078 0.10569 0.14092 ++ {0.0} {} {156.cg} 86.28678 0.80474 1.07299 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {153.ha} 4.08477 0.02482 0.03309 ++ {0.0} {} {153.ca} 85.54823 0.70565 0.94087 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {156.ha} 4.11786 0.02249 0.02999 ++ {0.0} {} {156.ca} 85.92562 0.64362 0.85816 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {154.ha} 4.15974 0.03645 0.04860 ++ {0.0} {} {154.ca} 85.69816 0.55832 0.74443 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . C 13 CA . . 7224.07763376122 Hz . . . . . . 27567 10 stop_ save_ save_FullyProtD2O _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode FullyProtD2O _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 11 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $2DD2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Fully Prot' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 1H 2H 6996.26904297 6996.26904297 699.932983398 699.932983398 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U vol int stat comment flag0 0 {16.h1'} 5.68747 0.01210 0.01613 ++ {0.0} {} {16.h8} 8.02271 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {16.h1'} 5.68747 0.01714 0.02285 ++ {0.0} {} {17.h8} 7.44615 0.02864 0.03818 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {17.h1'} 5.82260 0.01311 0.01748 ++ {0.0} {} {17.h8} 7.44042 0.02291 0.03055 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {17.h1'} 5.82260 0.01512 0.02016 ++ {0.0} {} {18.h8} 7.15023 0.04296 0.05728 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {18.h1'} 5.67876 0.01714 0.02285 ++ {0.0} {} {18.h8} 7.15023 0.04868 0.06491 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {18.h1'} 5.67809 0.01512 0.02016 ++ {0.0} {} {19.h6} 7.42133 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {19.h5} 5.07921 0.02722 0.03630 ++ {0.0} {} {19.h6} 7.42133 0.04009 0.05346 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {19.h1'} 5.38571 0.01916 0.02554 ++ {0.0} {} {19.h6} 7.42133 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {19.h1'} 5.38571 0.01411 0.01882 ++ {0.0} {} {20.h8} 7.81080 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {20.h1'} 5.85554 0.01109 0.01479 ++ {0.0} {} {20.h8} 7.81080 0.03723 0.04964 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {20.h1'} 5.85554 0.01109 0.01479 ++ {0.0} {} {20.h2} 6.82567 0.02005 0.02673 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {20.h1'} 5.85700 0.01613 0.02151 ++ {0.0} {} {21.h8} 6.85832 0.04009 0.05346 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {21.h1'} 5.41125 0.02521 0.03361 ++ {0.0} {} {21.h8} 6.86006 0.02577 0.03437 ++ {0.0} {} 0.0 0.0000 0 {} 0 13 {21.h1'} 5.41058 0.02117 0.02823 ++ {0.0} {} {20.h2} 6.82567 0.03437 0.04582 ++ {0.0} {} 0.0 0.0000 0 {} 0 14 {43.h1'} 5.68280 0.01916 0.02554 ++ {0.0} {} {20.h2} 6.82567 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 15 {43.h1'} 5.68078 0.01815 0.02420 ++ {0.0} {} {43.h8} 7.69052 0.02577 0.03437 ++ {0.0} {} 0.0 0.0000 0 {} 0 16 {43.h1'} 5.68212 0.01815 0.02420 ++ {0.0} {} {44.h6} 7.58552 0.02864 0.03818 ++ {0.0} {} 0.0 0.0000 0 {} 0 17 {44.h5} 5.05434 0.02319 0.03092 ++ {0.0} {} {44.h6} 7.58552 0.04009 0.05346 ++ {0.0} {} 0.0 0.0000 0 {} 0 18 {44.h1'} 5.35020 0.01411 0.01882 ++ {0.0} {} {44.h6} 7.57586 0.04296 0.05728 ++ {0.0} {} 0.0 0.0000 0 {} 0 19 {44.h1'} 5.35004 0.01109 0.01479 ++ {0.0} {} {45.h6} 7.67619 0.03437 0.04582 ++ {0.0} {} 0.0 0.0000 0 {} 0 20 {45.h5} 5.33075 0.02117 0.02823 ++ {0.0} {} {45.h6} 7.67511 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 21 {45.h1'} 5.38010 0.01714 0.02100 ++ {0.0} {} {45.h6} 7.68181 0.03150 0.05612 ++ {0.0} {} 0.0 0.0000 0 {} 0 22 {45.h1'} 5.37902 0.01311 0.02665 ++ {0.0} {} {46.h6} 7.56867 0.02577 0.04873 ++ {0.0} {} 0.0 0.0000 0 {} 0 23 {46.h5} 5.38235 0.02319 0.03092 ++ {0.0} {} {46.h6} 7.56834 0.04868 0.06491 ++ {0.0} {} 0.0 0.0000 0 {} 0 24 {46.h1'} 5.60684 0.01714 0.02285 ++ {0.0} {} {46.h6} 7.56834 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 25 {22.h1'} 5.83873 0.01714 0.02285 ++ {0.0} {} {22.h8} 7.60270 0.05441 0.07255 ++ {0.0} {} 0.0 0.0000 0 {} 0 26 {22.h1'} 5.83873 0.01210 0.01613 ++ {0.0} {} {22.h2} 6.95740 0.02005 0.02673 ++ {0.0} {} 0.0 0.0000 0 {} 0 27 {21.h1'} 5.41192 0.01815 0.02420 ++ {0.0} {} {22.h8} 7.59855 0.02241 0.02988 ++ {0.0} {} 0.0 0.0000 0 {} 0 28 {23.h1'} 5.71301 0.01916 0.01956 ++ {0.0} {} {23.h6} 7.67092 0.04009 0.05346 ++ {0.0} {} 0.0 0.0000 0 {} 0 29 {23.h5} 5.72380 0.03025 0.04033 ++ {0.0} {} {23.h6} 7.67143 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 30 {25.h1'} 5.89116 0.02117 0.02823 ++ {0.0} {} {25.h6} 7.75734 0.04868 0.06491 ++ {0.0} {} 0.0 0.0000 0 {} 0 31 {25.h5} 5.83201 0.03125 0.04167 ++ {0.0} {} {25.h6} 7.75734 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 32 {40.h1'} 5.37092 0.01916 0.02554 ++ {0.0} {} {40.h6} 7.89099 0.03723 0.04964 ++ {0.0} {} 0.0 0.0000 0 {} 0 33 {40.h5} 5.32454 0.03025 0.04033 ++ {0.0} {} {40.h6} 7.89099 0.05441 0.07255 ++ {0.0} {} 0.0 0.0000 0 {} 0 34 {39.h1'} 5.10005 0.01512 0.02016 ++ {0.0} {} {40.h6} 7.89099 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 35 {39.h1'} 5.09870 0.02016 0.02689 ++ {0.0} {} {39.h6} 7.33542 0.02577 0.03437 ++ {0.0} {} 0.0 0.0000 0 {} 0 36 {39.h5} 5.45561 0.03831 0.05108 ++ {0.0} {} {39.h6} 7.33542 0.03723 0.04964 ++ {0.0} {} 0.0 0.0000 0 {} 0 37 {38.h1'} 5.56988 0.01210 0.01613 ++ {0.0} {} {39.h6} 7.33542 0.03723 0.04964 ++ {0.0} {} 0.0 0.0000 0 {} 0 38 {38.h1'} 5.56988 0.01311 0.01748 ++ {0.0} {} {38.h6} 7.69816 0.03437 0.04582 ++ {0.0} {} 0.0 0.0000 0 {} 0 39 {38.h5} 5.27701 0.02319 0.02299 ++ {0.0} {} {38.h6} 7.70147 0.05441 0.09773 ++ {0.0} {} 0.0 0.0000 0 {} 0 40 {38.h5} 5.14777 0.01714 0.02285 ++ {0.0} {} {39.h6} 6.99176 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 41 {40.h1'} 5.36958 0.01815 0.02420 ++ {0.0} {} {41.h6} 7.73252 0.03150 0.04200 ++ {0.0} {} 0.0 0.0000 0 {} 0 42 {41.h5} 5.52619 0.02521 0.03361 ++ {0.0} {} {41.h6} 7.73252 0.04582 0.06109 ++ {0.0} {} 0.0 0.0000 0 {} 0 43 {41.h1'} 5.31446 0.01613 0.02151 ++ {0.0} {} {41.h6} 7.73252 0.03437 0.04582 ++ {0.0} {} 0.0 0.0000 0 {} 0 44 {42.h5} 5.22864 0.02420 0.03226 ++ {0.0} {} {42.h6} 7.69070 0.04009 0.05346 ++ {0.0} {} 0.0 0.0000 0 {} 0 45 {41.h1'} 5.31421 0.01411 0.02385 ++ {0.0} {} {42.h6} 7.68875 0.04009 0.05507 ++ {0.0} {} 0.0 0.0000 0 {} 0 46 {42.h1'} 5.29682 0.01509 0.02012 ++ {0.0} {} {43.h8} 7.69485 0.02066 0.02754 ++ {0.0} {} 0.0 0.0000 0 {} 0 47 {42.h1'} 5.29700 0.02289 0.01774 ++ {0.0} {} {42.h6} 7.68628 0.01805 0.03191 ++ {0.0} {} 0.0 0.0000 0 {} 0 48 {41.h1'} 5.31661 0.01647 0.02196 ++ {0.0} {} {22.h2} 6.95852 0.03108 0.04144 ++ {0.0} {} 0.0 0.0000 0 {} 0 49 {30.h1'} 5.65123 0.01744 0.02326 ++ {0.0} {} {30.h6} 7.64989 0.02826 0.03768 ++ {0.0} {} 0.0 0.0000 0 {} 0 50 {30.h1'} 5.65123 0.01744 0.02326 ++ {0.0} {} {31.h6} 7.55570 0.03956 0.05275 ++ {0.0} {} 0.0 0.0000 0 {} 0 51 {31.h5} 5.53366 0.01744 0.02326 ++ {0.0} {} {31.h6} 7.55570 0.04804 0.06405 ++ {0.0} {} 0.0 0.0000 0 {} 0 52 {31.h1'} 5.51550 0.01938 0.02584 ++ {0.0} {} {31.h6} 7.55455 0.03956 0.05275 ++ {0.0} {} 0.0 0.0000 0 {} 0 53 {28.h1'} 5.75265 0.01453 0.01938 ++ {0.0} {} {28.h8} 7.43137 0.02543 0.03391 ++ {0.0} {} 0.0 0.0000 0 {} 0 54 {28.h1'} 5.75265 0.01550 0.02067 ++ {0.0} {} {29.h6} 7.38615 0.01978 0.02637 ++ {0.0} {} 0.0 0.0000 0 {} 0 55 {29.h1'} 5.38703 0.01357 0.01809 ++ {0.0} {} {29.h6} 7.38615 0.03108 0.04144 ++ {0.0} {} 0.0 0.0000 0 {} 0 56 {29.h1'} 5.38703 0.01938 0.02584 ++ {0.0} {} {30.h6} 7.65177 0.04239 0.05651 ++ {0.0} {} 0.0 0.0000 0 {} 0 57 {29.h5} 5.01688 0.03488 0.04651 ++ {0.0} {} {29.h6} 7.38427 0.03391 0.04521 ++ {0.0} {} 0.0 0.0000 0 {} 0 58 {27.h1'} 5.92642 0.01647 0.02196 ++ {0.0} {} {27.h8} 7.65743 0.02543 0.03391 ++ {0.0} {} 0.0 0.0000 0 {} 0 59 {27.h1'} 5.92642 0.01744 0.02326 ++ {0.0} {} {28.h8} 7.43325 0.03108 0.04144 ++ {0.0} {} 0.0 0.0000 0 {} 0 60 {27.h1'} 5.92642 0.01066 0.01421 ++ {0.0} {} {27.h2} 7.32775 0.02543 0.03391 ++ {0.0} {} 0.0 0.0000 0 {} 0 61 {28.h1'} 5.75136 0.01550 0.02067 ++ {0.0} {} {27.h2} 7.32775 0.04521 0.06028 ++ {0.0} {} 0.0 0.0000 0 {} 0 62 {39.h1'} 5.09892 0.02035 0.02713 ++ {0.0} {} {27.h2} 7.32022 0.02826 0.03768 ++ {0.0} {} 0.0 0.0000 0 {} 0 63 {34.h1'} 5.81596 0.01550 0.02067 ++ {0.0} {} {34.h8} 7.83451 0.04239 0.05651 ++ {0.0} {} 0.0 0.0000 0 {} 0 64 {35.h1'} 5.74877 0.02035 0.02713 ++ {0.0} {} {35.h8} 8.26402 0.02543 0.03391 ++ {0.0} {} 0.0 0.0000 0 {} 0 65 {37.h5} 5.05500 0.02810 0.03747 ++ {0.0} {} {37.h6} 7.56040 0.05369 0.07159 ++ {0.0} {} 0.0 0.0000 0 {} 0 66 {37.h1'} 5.44839 0.01453 0.01938 ++ {0.0} {} {37.h6} 7.55005 0.03956 0.05275 ++ {0.0} {} 0.0 0.0000 0 {} 0 67 {37.h1'} 5.44839 0.01260 0.01680 ++ {0.0} {} {38.h6} 7.69887 0.02543 0.03391 ++ {0.0} {} 0.0 0.0000 0 {} 0 68 {33.h1'} 5.50653 0.02132 0.02842 ++ {0.0} {} {33.h8} 7.58584 0.01978 0.02637 ++ {0.0} {} 0.0 0.0000 0 {} 0 69 {34.h1'} 5.04853 0.02132 0.02842 ++ {0.0} {} {34.h8} 7.64424 0.02826 0.03768 ++ {0.0} {} 0.0 0.0000 0 {} 0 70 {30.h5} 5.48994 0.05767 0.04512 ++ {0.0} {} {30.h6} 7.64101 0.05785 0.07714 ++ {0.0} {} 0.0 0.0000 0 {} 0 71 {26.h2'} 4.87671 0.01960 0.02613 ++ {0.0} {} {26.h8} 7.67232 0.04232 0.05642 ++ {0.0} {} 0.0 0.0000 0 {} 0 72 {26.h1'} 5.81718 0.01120 0.01313 ++ {0.0} {} {26.h8} 7.67413 0.02257 0.02958 ++ {0.0} {} 0.0 0.0000 0 {} 0 73 {26.h1'} 5.81739 0.01400 0.01867 ++ {0.0} {} {27.h8} 7.65238 0.01975 0.02633 ++ {0.0} {} 0.0 0.0000 0 {} 0 74 {34.h1'} 5.81993 0.01619 0.02159 ++ {0.0} {} {35.h8} 8.26344 0.01719 0.02292 ++ {0.0} {} 0.0 0.0000 0 {} 0 75 {36.h1'} 5.32300 0.01393 0.01858 ++ {0.0} {} {36.h8} 7.32501 0.02885 0.03846 ++ {0.0} {} 0.0 0.0000 0 {} 0 76 {36.h1'} 5.32135 0.01593 0.02123 ++ {0.0} {} {37.h6} 7.56533 0.02623 0.03497 ++ {0.0} {} 0.0 0.0000 0 {} 0 77 {32.h1'} 5.34147 0.01683 0.02244 ++ {0.0} {} {32.h8} 7.65324 0.02998 0.03997 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . H 1 H . . 6995.86924091386 Hz . . . . . . 27567 11 stop_ save_ save_GUHSQCImino _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode GUHSQCImino _Spectral_peak_list.Entry_ID 27567 _Spectral_peak_list.ID 12 _Spectral_peak_list.Sample_ID 5 _Spectral_peak_list.Sample_label $HSQC _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _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 . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details '13C 15N GU for Iminos' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf 2H 15N 7500.0 5681.81787109 699.932983398 70.9339981079 2H.L 2H.P 2H.W 2H.B 2H.E 2H.J 2H.U 15N.L 15N.P 15N.W 15N.B 15N.E 15N.J 15N.U vol int stat comment flag0 0 {38.h3} 14.09967 0.07282 0.09710 ++ {0.0} {} {38.n3} 179.13585 1.36842 1.82456 ++ {0.0} {} 0.0 0.0000 0 {} 0 1 {42.h3} 13.20308 0.04369 0.05826 ++ {0.0} {} {42.n3} 178.92036 1.47369 1.96491 ++ {0.0} {} 0.0 0.0000 0 {} 0 2 {28.h1} 13.53894 0.07282 0.09710 ++ {0.0} {} {28.n1} 150.52477 1.68421 2.24562 ++ {0.0} {} 0.0 0.0000 0 {} 0 3 {43.h1} 12.32666 0.06084 0.08113 ++ {0.0} {} {43.n1} 150.01747 1.16074 1.94729 ++ {0.0} {} 0.0 0.0000 0 {} 0 4 {26.h1} 12.44313 0.01449 0.05853 ++ {0.0} {} {26.n1} 149.16457 1.06862 1.47870 ++ {0.0} {} 0.0 0.0000 0 {} 0 5 {21.h1} 12.36934 0.05215 0.06954 ++ {0.0} {} {21.n1} 148.33438 1.01335 1.35113 ++ {0.0} {} 0.0 0.0000 0 {} 0 6 {17.h1} 12.67649 0.03477 0.04636 ++ {0.0} {} {17.n1} 149.91324 0.88437 1.17917 ++ {0.0} {} 0.0 0.0000 0 {} 0 7 {18.h1} 12.97749 0.04056 0.05408 ++ {0.0} {} {18.n1} 151.79103 0.99492 1.32656 ++ {0.0} {} 0.0 0.0000 0 {} 0 8 {36.h1} 13.03408 0.06084 0.08113 ++ {0.0} {} {36.n1} 151.83527 1.14232 1.52309 ++ {0.0} {} 0.0 0.0000 0 {} 0 9 {16.h1} 12.39800 0.05559 0.04187 ++ {0.0} {} {16.n1} 150.50200 0.92418 1.03023 ++ {0.0} {} 0.0 0.0000 0 {} 0 10 {40.h3} 13.92335 0.04857 0.06476 ++ {0.0} {} {40.n3} 179.18945 1.39235 1.85646 ++ {0.0} {} 0.0 0.0000 0 {} 0 11 {23.h3} 13.28255 0.04170 0.05561 ++ {0.0} {} {23.h3} 177.25262 0.84319 1.12426 ++ {0.0} {} 0.0 0.0000 0 {} 0 12 {34.h1} 12.54151 0.02760 0.03680 ++ {0.0} {} {34.h1} 150.08945 0.83490 1.11320 ++ {0.0} {} 0.0 0.0000 0 {} 0 ; 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 2 . . N 15 N . . 7224.07762653645 Hz . . . . . . 27567 12 stop_ save_