data_26034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26034 _Entry.Title ; NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of dodecylphosphocholine micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-14 _Entry.Accession_date 2016-04-14 _Entry.Last_release_date 2016-04-19 _Entry.Original_release_date 2016-04-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.99 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 'M. Angeles' Jimenez . . . . 26034 2 Jose Nieva . L. . . 26034 3 Edurne Rujas . . . . 26034 4 Angelica Partida-Hanon . . . . 26034 5 Marta Bruix . . . . 26034 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26034 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'HIV-1 gp41 protein' . 26034 'neutralizing epitope' . 26034 peptide . 26034 'peptide vaccine' . 26034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 87 26034 '1H chemical shifts' 294 26034 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 . . 2017-02-16 . original BMRB . 26034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26035 'Chemical shifts for the same peptide in hexafluoroisopropanol' 26034 PDB 2NCS 'BMRB Entry Tracking System' 26034 PDB 2NCT 'Structure for the same peptide in hexafluoroisopropanol' 26034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26034 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27905530 _Citation.Full_citation . _Citation.Title ; Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci Rep' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 38177 _Citation.Page_last 38177 _Citation.Year 2016 _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 Edurne Rujas . . . . 26034 1 2 Angelica Partida-Hanon . . . . 26034 1 3 Naveed Gulzar . . . . 26034 1 4 Koldo Morante . . . . 26034 1 5 Beatriz Apellaniz . . . . 26034 1 6 Miguel Garcia-Porras . . . . 26034 1 7 Marta Bruix . . . . 26034 1 8 Kouhei Tsumoto . . . . 26034 1 9 Jamie Scott . K. . . 26034 1 10 'M. Angeles' Jimenez . K. . . 26034 1 11 Jose Caaveiro . MM . . 26034 1 12 Jose Nieva . L. . . 26034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26034 _Assembly.ID 1 _Assembly.Name 'membrane proximal external region of HIV-1 gp41 in DPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 10E8p 1 $10E8p A . yes native no no . . . 26034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_10E8p _Entity.Sf_category entity _Entity.Sf_framecode 10E8p _Entity.Entry_ID 26034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 10E8p _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKKKDKWASLWNWFDITNWL WYIKLFIMIVGKKKKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; The sequence DKWASLWNWFDITNWLWYIKLFIMIVG corresponds to residues 664-690 of glycoprotein gp41 from HIV. The four N-terminal residues (KKKK) and the five C-terminal residues (KKKKK) were added to the native sequence to improve peptide solubility. ; _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 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4624.739 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LYS . 26034 1 2 2 LYS . 26034 1 3 3 LYS . 26034 1 4 4 LYS . 26034 1 5 5 ASP . 26034 1 6 6 LYS . 26034 1 7 7 TRP . 26034 1 8 8 ALA . 26034 1 9 9 SER . 26034 1 10 10 LEU . 26034 1 11 11 TRP . 26034 1 12 12 ASN . 26034 1 13 13 TRP . 26034 1 14 14 PHE . 26034 1 15 15 ASP . 26034 1 16 16 ILE . 26034 1 17 17 THR . 26034 1 18 18 ASN . 26034 1 19 19 TRP . 26034 1 20 20 LEU . 26034 1 21 21 TRP . 26034 1 22 22 TYR . 26034 1 23 23 ILE . 26034 1 24 24 LYS . 26034 1 25 25 LEU . 26034 1 26 26 PHE . 26034 1 27 27 ILE . 26034 1 28 28 MET . 26034 1 29 29 ILE . 26034 1 30 30 VAL . 26034 1 31 31 GLY . 26034 1 32 32 LYS . 26034 1 33 33 LYS . 26034 1 34 34 LYS . 26034 1 35 35 LYS . 26034 1 36 36 LYS . 26034 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 26034 1 . LYS 2 2 26034 1 . LYS 3 3 26034 1 . LYS 4 4 26034 1 . ASP 5 5 26034 1 . LYS 6 6 26034 1 . TRP 7 7 26034 1 . ALA 8 8 26034 1 . SER 9 9 26034 1 . LEU 10 10 26034 1 . TRP 11 11 26034 1 . ASN 12 12 26034 1 . TRP 13 13 26034 1 . PHE 14 14 26034 1 . ASP 15 15 26034 1 . ILE 16 16 26034 1 . THR 17 17 26034 1 . ASN 18 18 26034 1 . TRP 19 19 26034 1 . LEU 20 20 26034 1 . TRP 21 21 26034 1 . TYR 22 22 26034 1 . ILE 23 23 26034 1 . LYS 24 24 26034 1 . LEU 25 25 26034 1 . PHE 26 26 26034 1 . ILE 27 27 26034 1 . MET 28 28 26034 1 . ILE 29 29 26034 1 . VAL 30 30 26034 1 . GLY 31 31 26034 1 . LYS 32 32 26034 1 . LYS 33 33 26034 1 . LYS 34 34 26034 1 . LYS 35 35 26034 1 . LYS 36 36 26034 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 26034 _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 $10E8p . 11676 virus . 'Human immunodeficiency virus 1' HIV-1 . . Viruses . Lintivirus . . . . . . . . . . . . . . 26034 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 26034 _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 $10E8p . 'chemical synthesis' . . . . . . . . . . . . . . . . 26034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26034 _Sample.ID 1 _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 10E8p 'natural abundance' . . 1 $10E8p . protein 0.5 . . mM . . . . 26034 1 2 DPC [U-2H] . . . . . . 20 . . mM . . . . 26034 1 3 HEPES 'natural abundance' . . . . . buffer 2 . . mM . . . . 26034 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 26034 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26034 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26034 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26034 _Sample.ID 2 _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 10E8p 'natural abundance' . . 1 $10E8p . protein 0.5 . . mM . . . . 26034 2 2 DPC [U-2H] . . . . . . 20 . . mM . . . . 26034 2 3 HEPES 'natural abundance' . . . . . buffer 2 . . mM . . . . 26034 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 26034 2 5 D2O [U-2H] . . . . . solvent 100 . . % . . . . 26034 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26034 _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' 2 . mM 26034 1 pH 7 . pH 26034 1 pressure 1 . atm 26034 1 temperature 308 . K 26034 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26034 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26034 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26034 1 processing 26034 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26034 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26034 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26034 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26034 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26034 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle restraints' 26034 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26034 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26034 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 26034 4 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 26034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26034 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26034 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'equipped with a cryoprobe' . . 26034 1 2 spectrometer_2 Bruker Avance . 800 'equipped with a cruoprobe' . . 26034 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 26034 _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 TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26034 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26034 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26034 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26034 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26034 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26034 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26034 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26034 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 26034 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 26034 1 4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 26034 1 5 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 26034 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 26034 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.01 0.02 . 1 . . . A 1 LYS HA . 26034 1 2 . 1 1 1 1 LYS HB2 H 1 1.88 0.02 . 2 . . . A 1 LYS HB2 . 26034 1 3 . 1 1 1 1 LYS HB3 H 1 1.92 0.02 . 2 . . . A 1 LYS HB3 . 26034 1 4 . 1 1 1 1 LYS HG2 H 1 1.46 0.02 . 2 . . . A 1 LYS HG2 . 26034 1 5 . 1 1 1 1 LYS HG3 H 1 1.46 0.02 . 2 . . . A 1 LYS HG3 . 26034 1 6 . 1 1 1 1 LYS HD2 H 1 1.71 0.02 . 2 . . . A 1 LYS HD2 . 26034 1 7 . 1 1 1 1 LYS HD3 H 1 1.71 0.02 . 2 . . . A 1 LYS HD3 . 26034 1 8 . 1 1 1 1 LYS HE2 H 1 2.97 0.02 . 2 . . . A 1 LYS HE2 . 26034 1 9 . 1 1 1 1 LYS HE3 H 1 2.97 0.02 . 2 . . . A 1 LYS HE3 . 26034 1 10 . 1 1 1 1 LYS CA C 13 55.6 0.1 . 1 . . . A 1 LYS CA . 26034 1 11 . 1 1 2 2 LYS H H 1 8.38 0.02 . 1 . . . A 2 LYS H . 26034 1 12 . 1 1 2 2 LYS HA H 1 4.35 0.02 . 1 . . . A 2 LYS HA . 26034 1 13 . 1 1 2 2 LYS HB2 H 1 1.76 0.02 . 2 . . . A 2 LYS HB2 . 26034 1 14 . 1 1 2 2 LYS HB3 H 1 1.82 0.02 . 2 . . . A 2 LYS HB3 . 26034 1 15 . 1 1 2 2 LYS HG2 H 1 1.46 0.02 . 2 . . . A 2 LYS HG2 . 26034 1 16 . 1 1 2 2 LYS HG3 H 1 1.46 0.02 . 2 . . . A 2 LYS HG3 . 26034 1 17 . 1 1 2 2 LYS HD2 H 1 1.70 0.02 . 2 . . . A 2 LYS HD2 . 26034 1 18 . 1 1 2 2 LYS HD3 H 1 1.70 0.02 . 2 . . . A 2 LYS HD3 . 26034 1 19 . 1 1 2 2 LYS HE2 H 1 3.00 0.02 . 2 . . . A 2 LYS HE2 . 26034 1 20 . 1 1 2 2 LYS HE3 H 1 3.00 0.02 . 2 . . . A 2 LYS HE3 . 26034 1 21 . 1 1 2 2 LYS CA C 13 56.4 0.1 . 1 . . . A 2 LYS CA . 26034 1 22 . 1 1 3 3 LYS H H 1 8.49 0.02 . 1 . . . A 3 LYS H . 26034 1 23 . 1 1 3 3 LYS HA H 1 4.28 0.02 . 1 . . . A 3 LYS HA . 26034 1 24 . 1 1 3 3 LYS HB2 H 1 1.76 0.02 . 2 . . . A 3 LYS HB2 . 26034 1 25 . 1 1 3 3 LYS HB3 H 1 1.81 0.02 . 2 . . . A 3 LYS HB3 . 26034 1 26 . 1 1 3 3 LYS HG2 H 1 1.40 0.02 . 2 . . . A 3 LYS HG2 . 26034 1 27 . 1 1 3 3 LYS HG3 H 1 1.45 0.02 . 2 . . . A 3 LYS HG3 . 26034 1 28 . 1 1 3 3 LYS HD2 H 1 1.71 0.02 . 2 . . . A 3 LYS HD2 . 26034 1 29 . 1 1 3 3 LYS HD3 H 1 1.71 0.02 . 2 . . . A 3 LYS HD3 . 26034 1 30 . 1 1 3 3 LYS CA C 13 56.4 0.1 . 1 . . . A 3 LYS CA . 26034 1 31 . 1 1 4 4 LYS H H 1 8.42 0.02 . 1 . . . A 4 LYS H . 26034 1 32 . 1 1 4 4 LYS HA H 1 4.27 0.02 . 1 . . . A 4 LYS HA . 26034 1 33 . 1 1 4 4 LYS HB2 H 1 1.74 0.02 . 2 . . . A 4 LYS HB2 . 26034 1 34 . 1 1 4 4 LYS HB3 H 1 1.77 0.02 . 2 . . . A 4 LYS HB3 . 26034 1 35 . 1 1 4 4 LYS HG2 H 1 1.37 0.02 . 2 . . . A 4 LYS HG2 . 26034 1 36 . 1 1 4 4 LYS HG3 H 1 1.42 0.02 . 2 . . . A 4 LYS HG3 . 26034 1 37 . 1 1 4 4 LYS HD2 H 1 1.67 0.02 . 2 . . . A 4 LYS HD2 . 26034 1 38 . 1 1 4 4 LYS HD3 H 1 1.67 0.02 . 2 . . . A 4 LYS HD3 . 26034 1 39 . 1 1 4 4 LYS HE2 H 1 2.97 0.02 . 2 . . . A 4 LYS HE2 . 26034 1 40 . 1 1 4 4 LYS HE3 H 1 2.97 0.02 . 2 . . . A 4 LYS HE3 . 26034 1 41 . 1 1 4 4 LYS CA C 13 56.8 0.1 . 1 . . . A 4 LYS CA . 26034 1 42 . 1 1 5 5 ASP H H 1 8.27 0.02 . 1 . . . A 5 ASP H . 26034 1 43 . 1 1 5 5 ASP HA H 1 4.63 0.02 . 1 . . . A 5 ASP HA . 26034 1 44 . 1 1 5 5 ASP HB2 H 1 2.71 0.02 . 2 . . . A 5 ASP HB2 . 26034 1 45 . 1 1 5 5 ASP HB3 H 1 2.71 0.02 . 2 . . . A 5 ASP HB3 . 26034 1 46 . 1 1 5 5 ASP CA C 13 54.8 0.1 . 1 . . . A 5 ASP CA . 26034 1 47 . 1 1 5 5 ASP CB C 13 41.9 0.1 . 1 . . . A 5 ASP CB . 26034 1 48 . 1 1 6 6 LYS H H 1 8.53 0.02 . 1 . . . A 6 LYS H . 26034 1 49 . 1 1 6 6 LYS HA H 1 4.05 0.02 . 1 . . . A 6 LYS HA . 26034 1 50 . 1 1 6 6 LYS HB2 H 1 1.57 0.02 . 2 . . . A 6 LYS HB2 . 26034 1 51 . 1 1 6 6 LYS HB3 H 1 1.64 0.02 . 2 . . . A 6 LYS HB3 . 26034 1 52 . 1 1 6 6 LYS HG2 H 1 1.05 0.02 . 2 . . . A 6 LYS HG2 . 26034 1 53 . 1 1 6 6 LYS HG3 H 1 1.05 0.02 . 2 . . . A 6 LYS HG3 . 26034 1 54 . 1 1 6 6 LYS HD2 H 1 1.50 0.02 . 2 . . . A 6 LYS HD2 . 26034 1 55 . 1 1 6 6 LYS HD3 H 1 1.50 0.02 . 2 . . . A 6 LYS HD3 . 26034 1 56 . 1 1 6 6 LYS HE2 H 1 2.76 0.02 . 2 . . . A 6 LYS HE2 . 26034 1 57 . 1 1 6 6 LYS HE3 H 1 2.76 0.02 . 2 . . . A 6 LYS HE3 . 26034 1 58 . 1 1 6 6 LYS CA C 13 57.6 0.1 . 1 . . . A 6 LYS CA . 26034 1 59 . 1 1 6 6 LYS CB C 13 32.6 0.1 . 1 . . . A 6 LYS CB . 26034 1 60 . 1 1 6 6 LYS CG C 13 24.5 0.1 . 1 . . . A 6 LYS CG . 26034 1 61 . 1 1 6 6 LYS CE C 13 41.6 0.1 . 1 . . . A 6 LYS CE . 26034 1 62 . 1 1 7 7 TRP H H 1 8.16 0.02 . 1 . . . A 7 TRP H . 26034 1 63 . 1 1 7 7 TRP HA H 1 4.57 0.02 . 1 . . . A 7 TRP HA . 26034 1 64 . 1 1 7 7 TRP HB2 H 1 3.31 0.02 . 2 . . . A 7 TRP HB2 . 26034 1 65 . 1 1 7 7 TRP HB3 H 1 3.38 0.02 . 2 . . . A 7 TRP HB3 . 26034 1 66 . 1 1 7 7 TRP HD1 H 1 7.38 0.02 . 1 . . . A 7 TRP HD1 . 26034 1 67 . 1 1 7 7 TRP HE1 H 1 10.58 0.02 . 1 . . . A 7 TRP HE1 . 26034 1 68 . 1 1 7 7 TRP HE3 H 1 7.51 0.02 . 1 . . . A 7 TRP HE3 . 26034 1 69 . 1 1 7 7 TRP HZ2 H 1 7.49 0.02 . 1 . . . A 7 TRP HZ2 . 26034 1 70 . 1 1 7 7 TRP HZ3 H 1 6.95 0.02 . 1 . . . A 7 TRP HZ3 . 26034 1 71 . 1 1 7 7 TRP HH2 H 1 7.09 0.02 . 1 . . . A 7 TRP HH2 . 26034 1 72 . 1 1 7 7 TRP CA C 13 58.1 0.1 . 1 . . . A 7 TRP CA . 26034 1 73 . 1 1 7 7 TRP CB C 13 29.1 0.1 . 1 . . . A 7 TRP CB . 26034 1 74 . 1 1 8 8 ALA H H 1 7.93 0.02 . 1 . . . A 8 ALA H . 26034 1 75 . 1 1 8 8 ALA HA H 1 4.15 0.02 . 1 . . . A 8 ALA HA . 26034 1 76 . 1 1 8 8 ALA HB1 H 1 1.50 0.02 . 1 . . . A 8 ALA HB1 . 26034 1 77 . 1 1 8 8 ALA HB2 H 1 1.50 0.02 . 1 . . . A 8 ALA HB2 . 26034 1 78 . 1 1 8 8 ALA HB3 H 1 1.50 0.02 . 1 . . . A 8 ALA HB3 . 26034 1 79 . 1 1 8 8 ALA CA C 13 54.7 0.1 . 1 . . . A 8 ALA CA . 26034 1 80 . 1 1 8 8 ALA CB C 13 18.8 0.1 . 1 . . . A 8 ALA CB . 26034 1 81 . 1 1 9 9 SER H H 1 8.09 0.02 . 1 . . . A 9 SER H . 26034 1 82 . 1 1 9 9 SER HA H 1 4.33 0.02 . 1 . . . A 9 SER HA . 26034 1 83 . 1 1 9 9 SER HB2 H 1 3.87 0.02 . 2 . . . A 9 SER HB2 . 26034 1 84 . 1 1 9 9 SER HB3 H 1 3.94 0.02 . 2 . . . A 9 SER HB3 . 26034 1 85 . 1 1 9 9 SER CA C 13 60.6 0.1 . 1 . . . A 9 SER CA . 26034 1 86 . 1 1 9 9 SER CB C 13 63.0 0.1 . 1 . . . A 9 SER CB . 26034 1 87 . 1 1 10 10 LEU H H 1 7.88 0.02 . 1 . . . A 10 LEU H . 26034 1 88 . 1 1 10 10 LEU HA H 1 4.05 0.02 . 1 . . . A 10 LEU HA . 26034 1 89 . 1 1 10 10 LEU HB2 H 1 1.52 0.02 . 2 . . . A 10 LEU HB2 . 26034 1 90 . 1 1 10 10 LEU HB3 H 1 1.61 0.02 . 2 . . . A 10 LEU HB3 . 26034 1 91 . 1 1 10 10 LEU HG H 1 1.56 0.02 . 1 . . . A 10 LEU HG . 26034 1 92 . 1 1 10 10 LEU HD11 H 1 0.69 0.02 . 2 . . . A 10 LEU HD11 . 26034 1 93 . 1 1 10 10 LEU HD12 H 1 0.69 0.02 . 2 . . . A 10 LEU HD12 . 26034 1 94 . 1 1 10 10 LEU HD13 H 1 0.69 0.02 . 2 . . . A 10 LEU HD13 . 26034 1 95 . 1 1 10 10 LEU HD21 H 1 0.80 0.02 . 2 . . . A 10 LEU HD21 . 26034 1 96 . 1 1 10 10 LEU HD22 H 1 0.80 0.02 . 2 . . . A 10 LEU HD22 . 26034 1 97 . 1 1 10 10 LEU HD23 H 1 0.80 0.02 . 2 . . . A 10 LEU HD23 . 26034 1 98 . 1 1 10 10 LEU CA C 13 58.4 0.1 . 1 . . . A 10 LEU CA . 26034 1 99 . 1 1 10 10 LEU CB C 13 42.1 0.1 . 1 . . . A 10 LEU CB . 26034 1 100 . 1 1 10 10 LEU CG C 13 27.2 0.1 . 1 . . . A 10 LEU CG . 26034 1 101 . 1 1 10 10 LEU CD1 C 13 24.6 0.1 . 1 . . . A 10 LEU CD1 . 26034 1 102 . 1 1 10 10 LEU CD2 C 13 25.1 0.1 . 1 . . . A 10 LEU CD2 . 26034 1 103 . 1 1 11 11 TRP H H 1 7.74 0.02 . 1 . . . A 11 TRP H . 26034 1 104 . 1 1 11 11 TRP HA H 1 4.62 0.02 . 1 . . . A 11 TRP HA . 26034 1 105 . 1 1 11 11 TRP HB2 H 1 3.22 0.02 . 2 . . . A 11 TRP HB2 . 26034 1 106 . 1 1 11 11 TRP HB3 H 1 3.41 0.02 . 2 . . . A 11 TRP HB3 . 26034 1 107 . 1 1 11 11 TRP HD1 H 1 7.29 0.02 . 1 . . . A 11 TRP HD1 . 26034 1 108 . 1 1 11 11 TRP HE1 H 1 10.29 0.02 . 1 . . . A 11 TRP HE1 . 26034 1 109 . 1 1 11 11 TRP HE3 H 1 7.59 0.02 . 1 . . . A 11 TRP HE3 . 26034 1 110 . 1 1 11 11 TRP HZ2 H 1 7.42 0.02 . 1 . . . A 11 TRP HZ2 . 26034 1 111 . 1 1 11 11 TRP HZ3 H 1 6.90 0.02 . 1 . . . A 11 TRP HZ3 . 26034 1 112 . 1 1 11 11 TRP HH2 H 1 7.03 0.02 . 1 . . . A 11 TRP HH2 . 26034 1 113 . 1 1 11 11 TRP CA C 13 58.8 0.1 . 1 . . . A 11 TRP CA . 26034 1 114 . 1 1 11 11 TRP CB C 13 29.5 0.1 . 1 . . . A 11 TRP CB . 26034 1 115 . 1 1 12 12 ASN H H 1 7.98 0.02 . 1 . . . A 12 ASN H . 26034 1 116 . 1 1 12 12 ASN HA H 1 4.63 0.02 . 1 . . . A 12 ASN HA . 26034 1 117 . 1 1 12 12 ASN HB2 H 1 2.82 0.02 . 2 . . . A 12 ASN HB2 . 26034 1 118 . 1 1 12 12 ASN HB3 H 1 2.82 0.02 . 2 . . . A 12 ASN HB3 . 26034 1 119 . 1 1 12 12 ASN HD21 H 1 7.59 0.02 . 2 . . . A 12 ASN HD21 . 26034 1 120 . 1 1 12 12 ASN HD22 H 1 6.96 0.02 . 2 . . . A 12 ASN HD22 . 26034 1 121 . 1 1 12 12 ASN CA C 13 54.0 0.1 . 1 . . . A 12 ASN CA . 26034 1 122 . 1 1 12 12 ASN CB C 13 38.9 0.1 . 1 . . . A 12 ASN CB . 26034 1 123 . 1 1 13 13 TRP H H 1 7.90 0.02 . 1 . . . A 13 TRP H . 26034 1 124 . 1 1 13 13 TRP HA H 1 4.43 0.02 . 1 . . . A 13 TRP HA . 26034 1 125 . 1 1 13 13 TRP HB2 H 1 3.26 0.02 . 2 . . . A 13 TRP HB2 . 26034 1 126 . 1 1 13 13 TRP HB3 H 1 3.26 0.02 . 2 . . . A 13 TRP HB3 . 26034 1 127 . 1 1 13 13 TRP HD1 H 1 7.23 0.02 . 1 . . . A 13 TRP HD1 . 26034 1 128 . 1 1 13 13 TRP HE1 H 1 10.41 0.02 . 1 . . . A 13 TRP HE1 . 26034 1 129 . 1 1 13 13 TRP HE3 H 1 7.36 0.02 . 1 . . . A 13 TRP HE3 . 26034 1 130 . 1 1 13 13 TRP HZ2 H 1 7.42 0.02 . 1 . . . A 13 TRP HZ2 . 26034 1 131 . 1 1 13 13 TRP HZ3 H 1 6.93 0.02 . 1 . . . A 13 TRP HZ3 . 26034 1 132 . 1 1 13 13 TRP HH2 H 1 7.05 0.02 . 1 . . . A 13 TRP HH2 . 26034 1 133 . 1 1 13 13 TRP CA C 13 59.0 0.1 . 1 . . . A 13 TRP CA . 26034 1 134 . 1 1 13 13 TRP CB C 13 29.6 0.1 . 1 . . . A 13 TRP CB . 26034 1 135 . 1 1 14 14 PHE H H 1 7.74 0.02 . 1 . . . A 14 PHE H . 26034 1 136 . 1 1 14 14 PHE HA H 1 4.38 0.02 . 1 . . . A 14 PHE HA . 26034 1 137 . 1 1 14 14 PHE HB2 H 1 2.83 0.02 . 2 . . . A 14 PHE HB2 . 26034 1 138 . 1 1 14 14 PHE HB3 H 1 3.04 0.02 . 2 . . . A 14 PHE HB3 . 26034 1 139 . 1 1 14 14 PHE HD1 H 1 7.11 0.02 . 3 . . . A 14 PHE HD1 . 26034 1 140 . 1 1 14 14 PHE HD2 H 1 7.11 0.02 . 3 . . . A 14 PHE HD2 . 26034 1 141 . 1 1 14 14 PHE CA C 13 57.9 0.1 . 1 . . . A 14 PHE CA . 26034 1 142 . 1 1 15 15 ASP H H 1 8.12 0.02 . 1 . . . A 15 ASP H . 26034 1 143 . 1 1 15 15 ASP HA H 1 4.71 0.02 . 1 . . . A 15 ASP HA . 26034 1 144 . 1 1 15 15 ASP HB2 H 1 2.79 0.02 . 2 . . . A 15 ASP HB2 . 26034 1 145 . 1 1 15 15 ASP HB3 H 1 2.79 0.02 . 2 . . . A 15 ASP HB3 . 26034 1 146 . 1 1 15 15 ASP CA C 13 58.2 0.1 . 1 . . . A 15 ASP CA . 26034 1 147 . 1 1 16 16 ILE H H 1 8.16 0.02 . 1 . . . A 16 ILE H . 26034 1 148 . 1 1 16 16 ILE HA H 1 3.74 0.02 . 1 . . . A 16 ILE HA . 26034 1 149 . 1 1 16 16 ILE HB H 1 1.76 0.02 . 1 . . . A 16 ILE HB . 26034 1 150 . 1 1 16 16 ILE HG12 H 1 1.20 0.02 . 2 . . . A 16 ILE HG12 . 26034 1 151 . 1 1 16 16 ILE HG13 H 1 1.38 0.02 . 2 . . . A 16 ILE HG13 . 26034 1 152 . 1 1 16 16 ILE HG21 H 1 0.78 0.02 . 1 . . . A 16 ILE HG21 . 26034 1 153 . 1 1 16 16 ILE HG22 H 1 0.78 0.02 . 1 . . . A 16 ILE HG22 . 26034 1 154 . 1 1 16 16 ILE HG23 H 1 0.78 0.02 . 1 . . . A 16 ILE HG23 . 26034 1 155 . 1 1 16 16 ILE HD11 H 1 0.79 0.02 . 1 . . . A 16 ILE HD11 . 26034 1 156 . 1 1 16 16 ILE HD12 H 1 0.79 0.02 . 1 . . . A 16 ILE HD12 . 26034 1 157 . 1 1 16 16 ILE HD13 H 1 0.79 0.02 . 1 . . . A 16 ILE HD13 . 26034 1 158 . 1 1 16 16 ILE CA C 13 62.8 0.1 . 1 . . . A 16 ILE CA . 26034 1 159 . 1 1 16 16 ILE CB C 13 38.2 0.1 . 1 . . . A 16 ILE CB . 26034 1 160 . 1 1 16 16 ILE CG1 C 13 28.2 0.1 . 1 . . . A 16 ILE CG1 . 26034 1 161 . 1 1 16 16 ILE CG2 C 13 17.8 0.1 . 1 . . . A 16 ILE CG2 . 26034 1 162 . 1 1 16 16 ILE CD1 C 13 13.8 0.1 . 1 . . . A 16 ILE CD1 . 26034 1 163 . 1 1 17 17 THR H H 1 8.13 0.02 . 1 . . . A 17 THR H . 26034 1 164 . 1 1 17 17 THR HA H 1 3.95 0.02 . 1 . . . A 17 THR HA . 26034 1 165 . 1 1 17 17 THR HB H 1 4.10 0.02 . 1 . . . A 17 THR HB . 26034 1 166 . 1 1 17 17 THR HG21 H 1 1.17 0.02 . 1 . . . A 17 THR HG21 . 26034 1 167 . 1 1 17 17 THR HG22 H 1 1.17 0.02 . 1 . . . A 17 THR HG22 . 26034 1 168 . 1 1 17 17 THR HG23 H 1 1.17 0.02 . 1 . . . A 17 THR HG23 . 26034 1 169 . 1 1 17 17 THR CA C 13 66.0 0.1 . 1 . . . A 17 THR CA . 26034 1 170 . 1 1 17 17 THR CB C 13 68.6 0.1 . 1 . . . A 17 THR CB . 26034 1 171 . 1 1 17 17 THR CG2 C 13 21.8 0.1 . 1 . . . A 17 THR CG2 . 26034 1 172 . 1 1 18 18 ASN H H 1 8.07 0.02 . 1 . . . A 18 ASN H . 26034 1 173 . 1 1 18 18 ASN HA H 1 4.74 0.02 . 1 . . . A 18 ASN HA . 26034 1 174 . 1 1 18 18 ASN HB2 H 1 2.79 0.02 . 2 . . . A 18 ASN HB2 . 26034 1 175 . 1 1 18 18 ASN HB3 H 1 2.79 0.02 . 2 . . . A 18 ASN HB3 . 26034 1 176 . 1 1 18 18 ASN HD21 H 1 7.89 0.02 . 2 . . . A 18 ASN HD21 . 26034 1 177 . 1 1 18 18 ASN HD22 H 1 6.84 0.02 . 2 . . . A 18 ASN HD22 . 26034 1 178 . 1 1 18 18 ASN CA C 13 54.6 0.1 . 1 . . . A 18 ASN CA . 26034 1 179 . 1 1 18 18 ASN CB C 13 38.2 0.1 . 1 . . . A 18 ASN CB . 26034 1 180 . 1 1 19 19 TRP H H 1 8.06 0.02 . 1 . . . A 19 TRP H . 26034 1 181 . 1 1 19 19 TRP HA H 1 4.70 0.02 . 1 . . . A 19 TRP HA . 26034 1 182 . 1 1 19 19 TRP HB2 H 1 3.35 0.02 . 2 . . . A 19 TRP HB2 . 26034 1 183 . 1 1 19 19 TRP HB3 H 1 3.41 0.02 . 2 . . . A 19 TRP HB3 . 26034 1 184 . 1 1 19 19 TRP HD1 H 1 7.33 0.02 . 1 . . . A 19 TRP HD1 . 26034 1 185 . 1 1 19 19 TRP HE1 H 1 10.46 0.02 . 1 . . . A 19 TRP HE1 . 26034 1 186 . 1 1 19 19 TRP HE3 H 1 7.40 0.02 . 1 . . . A 19 TRP HE3 . 26034 1 187 . 1 1 19 19 TRP HZ2 H 1 7.36 0.02 . 1 . . . A 19 TRP HZ2 . 26034 1 188 . 1 1 19 19 TRP HZ3 H 1 6.85 0.02 . 1 . . . A 19 TRP HZ3 . 26034 1 189 . 1 1 19 19 TRP HH2 H 1 6.96 0.02 . 1 . . . A 19 TRP HH2 . 26034 1 190 . 1 1 19 19 TRP CA C 13 59.9 0.1 . 1 . . . A 19 TRP CA . 26034 1 191 . 1 1 19 19 TRP CB C 13 29.2 0.1 . 1 . . . A 19 TRP CB . 26034 1 192 . 1 1 20 20 LEU H H 1 7.99 0.02 . 1 . . . A 20 LEU H . 26034 1 193 . 1 1 20 20 LEU HA H 1 4.06 0.02 . 1 . . . A 20 LEU HA . 26034 1 194 . 1 1 20 20 LEU HB2 H 1 1.64 0.02 . 2 . . . A 20 LEU HB2 . 26034 1 195 . 1 1 20 20 LEU HB3 H 1 1.75 0.02 . 2 . . . A 20 LEU HB3 . 26034 1 196 . 1 1 20 20 LEU HG H 1 1.77 0.02 . 1 . . . A 20 LEU HG . 26034 1 197 . 1 1 20 20 LEU HD11 H 1 0.92 0.02 . 2 . . . A 20 LEU HD11 . 26034 1 198 . 1 1 20 20 LEU HD12 H 1 0.92 0.02 . 2 . . . A 20 LEU HD12 . 26034 1 199 . 1 1 20 20 LEU HD13 H 1 0.92 0.02 . 2 . . . A 20 LEU HD13 . 26034 1 200 . 1 1 20 20 LEU HD21 H 1 0.98 0.02 . 2 . . . A 20 LEU HD21 . 26034 1 201 . 1 1 20 20 LEU HD22 H 1 0.98 0.02 . 2 . . . A 20 LEU HD22 . 26034 1 202 . 1 1 20 20 LEU HD23 H 1 0.98 0.02 . 2 . . . A 20 LEU HD23 . 26034 1 203 . 1 1 20 20 LEU CA C 13 58.1 0.1 . 1 . . . A 20 LEU CA . 26034 1 204 . 1 1 20 20 LEU CB C 13 41.6 0.1 . 1 . . . A 20 LEU CB . 26034 1 205 . 1 1 20 20 LEU CG C 13 27.1 0.1 . 1 . . . A 20 LEU CG . 26034 1 206 . 1 1 20 20 LEU CD1 C 13 24.2 0.1 . 1 . . . A 20 LEU CD1 . 26034 1 207 . 1 1 20 20 LEU CD2 C 13 24.9 0.1 . 1 . . . A 20 LEU CD2 . 26034 1 208 . 1 1 21 21 TRP H H 1 8.03 0.02 . 1 . . . A 21 TRP H . 26034 1 209 . 1 1 21 21 TRP HA H 1 4.09 0.02 . 1 . . . A 21 TRP HA . 26034 1 210 . 1 1 21 21 TRP HB2 H 1 3.21 0.02 . 2 . . . A 21 TRP HB2 . 26034 1 211 . 1 1 21 21 TRP HB3 H 1 3.31 0.02 . 2 . . . A 21 TRP HB3 . 26034 1 212 . 1 1 21 21 TRP HD1 H 1 7.06 0.02 . 1 . . . A 21 TRP HD1 . 26034 1 213 . 1 1 21 21 TRP HE1 H 1 10.24 0.02 . 1 . . . A 21 TRP HE1 . 26034 1 214 . 1 1 21 21 TRP HE3 H 1 6.65 0.02 . 1 . . . A 21 TRP HE3 . 26034 1 215 . 1 1 21 21 TRP HZ2 H 1 7.45 0.02 . 1 . . . A 21 TRP HZ2 . 26034 1 216 . 1 1 21 21 TRP HZ3 H 1 6.79 0.02 . 1 . . . A 21 TRP HZ3 . 26034 1 217 . 1 1 21 21 TRP HH2 H 1 7.10 0.02 . 1 . . . A 21 TRP HH2 . 26034 1 218 . 1 1 21 21 TRP CA C 13 58.9 0.1 . 1 . . . A 21 TRP CA . 26034 1 219 . 1 1 21 21 TRP CB C 13 29.4 0.1 . 1 . . . A 21 TRP CB . 26034 1 220 . 1 1 22 22 TYR H H 1 7.64 0.02 . 1 . . . A 22 TYR H . 26034 1 221 . 1 1 22 22 TYR HA H 1 4.00 0.02 . 1 . . . A 22 TYR HA . 26034 1 222 . 1 1 22 22 TYR HB2 H 1 3.01 0.02 . 2 . . . A 22 TYR HB2 . 26034 1 223 . 1 1 22 22 TYR HB3 H 1 3.18 0.02 . 2 . . . A 22 TYR HB3 . 26034 1 224 . 1 1 22 22 TYR HD1 H 1 7.22 0.02 . 3 . . . A 22 TYR HD1 . 26034 1 225 . 1 1 22 22 TYR HD2 H 1 7.22 0.02 . 3 . . . A 22 TYR HD2 . 26034 1 226 . 1 1 22 22 TYR HE1 H 1 6.88 0.02 . 3 . . . A 22 TYR HE1 . 26034 1 227 . 1 1 22 22 TYR HE2 H 1 6.88 0.02 . 3 . . . A 22 TYR HE2 . 26034 1 228 . 1 1 22 22 TYR CA C 13 61.9 0.1 . 1 . . . A 22 TYR CA . 26034 1 229 . 1 1 23 23 ILE H H 1 8.09 0.02 . 1 . . . A 23 ILE H . 26034 1 230 . 1 1 23 23 ILE HA H 1 3.77 0.02 . 1 . . . A 23 ILE HA . 26034 1 231 . 1 1 23 23 ILE HB H 1 2.13 0.02 . 1 . . . A 23 ILE HB . 26034 1 232 . 1 1 23 23 ILE HG12 H 1 1.25 0.02 . 2 . . . A 23 ILE HG12 . 26034 1 233 . 1 1 23 23 ILE HG13 H 1 1.95 0.02 . 2 . . . A 23 ILE HG13 . 26034 1 234 . 1 1 23 23 ILE HG21 H 1 1.02 0.02 . 1 . . . A 23 ILE HG21 . 26034 1 235 . 1 1 23 23 ILE HG22 H 1 1.02 0.02 . 1 . . . A 23 ILE HG22 . 26034 1 236 . 1 1 23 23 ILE HG23 H 1 1.02 0.02 . 1 . . . A 23 ILE HG23 . 26034 1 237 . 1 1 23 23 ILE HD11 H 1 0.98 0.02 . 1 . . . A 23 ILE HD11 . 26034 1 238 . 1 1 23 23 ILE HD12 H 1 0.98 0.02 . 1 . . . A 23 ILE HD12 . 26034 1 239 . 1 1 23 23 ILE HD13 H 1 0.98 0.02 . 1 . . . A 23 ILE HD13 . 26034 1 240 . 1 1 23 23 ILE CA C 13 65.3 0.1 . 1 . . . A 23 ILE CA . 26034 1 241 . 1 1 23 23 ILE CB C 13 37.8 0.1 . 1 . . . A 23 ILE CB . 26034 1 242 . 1 1 23 23 ILE CG2 C 13 17.8 0.1 . 1 . . . A 23 ILE CG2 . 26034 1 243 . 1 1 23 23 ILE CD1 C 13 13.2 0.1 . 1 . . . A 23 ILE CD1 . 26034 1 244 . 1 1 24 24 LYS H H 1 8.30 0.02 . 1 . . . A 24 LYS H . 26034 1 245 . 1 1 24 24 LYS HA H 1 3.85 0.02 . 1 . . . A 24 LYS HA . 26034 1 246 . 1 1 24 24 LYS HB2 H 1 1.81 0.02 . 2 . . . A 24 LYS HB2 . 26034 1 247 . 1 1 24 24 LYS HB3 H 1 1.81 0.02 . 2 . . . A 24 LYS HB3 . 26034 1 248 . 1 1 24 24 LYS HG2 H 1 1.34 0.02 . 2 . . . A 24 LYS HG2 . 26034 1 249 . 1 1 24 24 LYS HG3 H 1 1.59 0.02 . 2 . . . A 24 LYS HG3 . 26034 1 250 . 1 1 24 24 LYS HD2 H 1 1.67 0.02 . 2 . . . A 24 LYS HD2 . 26034 1 251 . 1 1 24 24 LYS HD3 H 1 1.67 0.02 . 2 . . . A 24 LYS HD3 . 26034 1 252 . 1 1 24 24 LYS HE2 H 1 2.86 0.02 . 2 . . . A 24 LYS HE2 . 26034 1 253 . 1 1 24 24 LYS HE3 H 1 2.90 0.02 . 2 . . . A 24 LYS HE3 . 26034 1 254 . 1 1 24 24 LYS CA C 13 60.4 0.1 . 1 . . . A 24 LYS CA . 26034 1 255 . 1 1 24 24 LYS CB C 13 31.9 0.1 . 1 . . . A 24 LYS CB . 26034 1 256 . 1 1 24 24 LYS CG C 13 26.1 0.1 . 1 . . . A 24 LYS CG . 26034 1 257 . 1 1 24 24 LYS CE C 13 41.7 0.1 . 1 . . . A 24 LYS CE . 26034 1 258 . 1 1 25 25 LEU H H 1 7.68 0.02 . 1 . . . A 25 LEU H . 26034 1 259 . 1 1 25 25 LEU HA H 1 3.89 0.02 . 1 . . . A 25 LEU HA . 26034 1 260 . 1 1 25 25 LEU HB2 H 1 1.57 0.02 . 2 . . . A 25 LEU HB2 . 26034 1 261 . 1 1 25 25 LEU HB3 H 1 1.57 0.02 . 2 . . . A 25 LEU HB3 . 26034 1 262 . 1 1 25 25 LEU HG H 1 1.37 0.02 . 1 . . . A 25 LEU HG . 26034 1 263 . 1 1 25 25 LEU HD11 H 1 0.62 0.02 . 2 . . . A 25 LEU HD11 . 26034 1 264 . 1 1 25 25 LEU HD12 H 1 0.62 0.02 . 2 . . . A 25 LEU HD12 . 26034 1 265 . 1 1 25 25 LEU HD13 H 1 0.62 0.02 . 2 . . . A 25 LEU HD13 . 26034 1 266 . 1 1 25 25 LEU HD21 H 1 0.74 0.02 . 2 . . . A 25 LEU HD21 . 26034 1 267 . 1 1 25 25 LEU HD22 H 1 0.74 0.02 . 2 . . . A 25 LEU HD22 . 26034 1 268 . 1 1 25 25 LEU HD23 H 1 0.74 0.02 . 2 . . . A 25 LEU HD23 . 26034 1 269 . 1 1 25 25 LEU CA C 13 58.0 0.1 . 1 . . . A 25 LEU CA . 26034 1 270 . 1 1 25 25 LEU CB C 13 42.0 0.1 . 1 . . . A 25 LEU CB . 26034 1 271 . 1 1 25 25 LEU CG C 13 26.9 0.1 . 1 . . . A 25 LEU CG . 26034 1 272 . 1 1 25 25 LEU CD1 C 13 24.0 0.1 . 1 . . . A 25 LEU CD1 . 26034 1 273 . 1 1 25 25 LEU CD2 C 13 25.0 0.1 . 1 . . . A 25 LEU CD2 . 26034 1 274 . 1 1 26 26 PHE H H 1 8.26 0.02 . 1 . . . A 26 PHE H . 26034 1 275 . 1 1 26 26 PHE HA H 1 4.14 0.02 . 1 . . . A 26 PHE HA . 26034 1 276 . 1 1 26 26 PHE HB2 H 1 3.23 0.02 . 2 . . . A 26 PHE HB2 . 26034 1 277 . 1 1 26 26 PHE HB3 H 1 3.37 0.02 . 2 . . . A 26 PHE HB3 . 26034 1 278 . 1 1 26 26 PHE HD1 H 1 7.11 0.02 . 3 . . . A 26 PHE HD1 . 26034 1 279 . 1 1 26 26 PHE HD2 H 1 7.11 0.02 . 3 . . . A 26 PHE HD2 . 26034 1 280 . 1 1 26 26 PHE CA C 13 61.5 0.1 . 1 . . . A 26 PHE CA . 26034 1 281 . 1 1 27 27 ILE H H 1 8.39 0.02 . 1 . . . A 27 ILE H . 26034 1 282 . 1 1 27 27 ILE HA H 1 3.47 0.02 . 1 . . . A 27 ILE HA . 26034 1 283 . 1 1 27 27 ILE HB H 1 2.00 0.02 . 1 . . . A 27 ILE HB . 26034 1 284 . 1 1 27 27 ILE HG12 H 1 1.19 0.02 . 2 . . . A 27 ILE HG12 . 26034 1 285 . 1 1 27 27 ILE HG13 H 1 1.96 0.02 . 2 . . . A 27 ILE HG13 . 26034 1 286 . 1 1 27 27 ILE HG21 H 1 0.93 0.02 . 1 . . . A 27 ILE HG21 . 26034 1 287 . 1 1 27 27 ILE HG22 H 1 0.93 0.02 . 1 . . . A 27 ILE HG22 . 26034 1 288 . 1 1 27 27 ILE HG23 H 1 0.93 0.02 . 1 . . . A 27 ILE HG23 . 26034 1 289 . 1 1 27 27 ILE HD11 H 1 0.89 0.02 . 1 . . . A 27 ILE HD11 . 26034 1 290 . 1 1 27 27 ILE HD12 H 1 0.89 0.02 . 1 . . . A 27 ILE HD12 . 26034 1 291 . 1 1 27 27 ILE HD13 H 1 0.89 0.02 . 1 . . . A 27 ILE HD13 . 26034 1 292 . 1 1 27 27 ILE CA C 13 65.3 0.1 . 1 . . . A 27 ILE CA . 26034 1 293 . 1 1 27 27 ILE CB C 13 37.9 0.1 . 1 . . . A 27 ILE CB . 26034 1 294 . 1 1 27 27 ILE CG1 C 13 29.6 0.1 . 1 . . . A 27 ILE CG1 . 26034 1 295 . 1 1 27 27 ILE CG2 C 13 17.6 0.1 . 1 . . . A 27 ILE CG2 . 26034 1 296 . 1 1 27 27 ILE CD1 C 13 13.9 0.1 . 1 . . . A 27 ILE CD1 . 26034 1 297 . 1 1 28 28 MET H H 1 7.99 0.02 . 1 . . . A 28 MET H . 26034 1 298 . 1 1 28 28 MET HA H 1 4.09 0.02 . 1 . . . A 28 MET HA . 26034 1 299 . 1 1 28 28 MET HB2 H 1 2.21 0.02 . 2 . . . A 28 MET HB2 . 26034 1 300 . 1 1 28 28 MET HB3 H 1 2.27 0.02 . 2 . . . A 28 MET HB3 . 26034 1 301 . 1 1 28 28 MET HG2 H 1 2.50 0.02 . 2 . . . A 28 MET HG2 . 26034 1 302 . 1 1 28 28 MET HG3 H 1 2.73 0.02 . 2 . . . A 28 MET HG3 . 26034 1 303 . 1 1 28 28 MET HE1 H 1 2.05 0.02 . 1 . . . A 28 MET HE1 . 26034 1 304 . 1 1 28 28 MET HE2 H 1 2.05 0.02 . 1 . . . A 28 MET HE2 . 26034 1 305 . 1 1 28 28 MET HE3 H 1 2.05 0.02 . 1 . . . A 28 MET HE3 . 26034 1 306 . 1 1 28 28 MET CA C 13 58.1 0.1 . 1 . . . A 28 MET CA . 26034 1 307 . 1 1 28 28 MET CB C 13 32.4 0.1 . 1 . . . A 28 MET CB . 26034 1 308 . 1 1 28 28 MET CG C 13 32.1 0.1 . 1 . . . A 28 MET CG . 26034 1 309 . 1 1 28 28 MET CE C 13 17.0 0.1 . 1 . . . A 28 MET CE . 26034 1 310 . 1 1 29 29 ILE H H 1 8.22 0.02 . 1 . . . A 29 ILE H . 26034 1 311 . 1 1 29 29 ILE HA H 1 3.73 0.02 . 1 . . . A 29 ILE HA . 26034 1 312 . 1 1 29 29 ILE HB H 1 1.95 0.02 . 1 . . . A 29 ILE HB . 26034 1 313 . 1 1 29 29 ILE HG12 H 1 1.22 0.02 . 2 . . . A 29 ILE HG12 . 26034 1 314 . 1 1 29 29 ILE HG13 H 1 1.77 0.02 . 2 . . . A 29 ILE HG13 . 26034 1 315 . 1 1 29 29 ILE HG21 H 1 0.88 0.02 . 1 . . . A 29 ILE HG21 . 26034 1 316 . 1 1 29 29 ILE HG22 H 1 0.88 0.02 . 1 . . . A 29 ILE HG22 . 26034 1 317 . 1 1 29 29 ILE HG23 H 1 0.88 0.02 . 1 . . . A 29 ILE HG23 . 26034 1 318 . 1 1 29 29 ILE HD11 H 1 0.84 0.02 . 1 . . . A 29 ILE HD11 . 26034 1 319 . 1 1 29 29 ILE HD12 H 1 0.84 0.02 . 1 . . . A 29 ILE HD12 . 26034 1 320 . 1 1 29 29 ILE HD13 H 1 0.84 0.02 . 1 . . . A 29 ILE HD13 . 26034 1 321 . 1 1 29 29 ILE CA C 13 64.8 0.1 . 1 . . . A 29 ILE CA . 26034 1 322 . 1 1 29 29 ILE CB C 13 38.0 0.1 . 1 . . . A 29 ILE CB . 26034 1 323 . 1 1 29 29 ILE CG1 C 13 28.9 0.1 . 1 . . . A 29 ILE CG1 . 26034 1 324 . 1 1 29 29 ILE CG2 C 13 17.6 0.1 . 1 . . . A 29 ILE CG2 . 26034 1 325 . 1 1 29 29 ILE CD1 C 13 13.6 0.1 . 1 . . . A 29 ILE CD1 . 26034 1 326 . 1 1 30 30 VAL H H 1 8.18 0.02 . 1 . . . A 30 VAL H . 26034 1 327 . 1 1 30 30 VAL HA H 1 3.57 0.02 . 1 . . . A 30 VAL HA . 26034 1 328 . 1 1 30 30 VAL HB H 1 1.92 0.02 . 1 . . . A 30 VAL HB . 26034 1 329 . 1 1 30 30 VAL HG11 H 1 0.66 0.02 . 2 . . . A 30 VAL HG11 . 26034 1 330 . 1 1 30 30 VAL HG12 H 1 0.66 0.02 . 2 . . . A 30 VAL HG12 . 26034 1 331 . 1 1 30 30 VAL HG13 H 1 0.66 0.02 . 2 . . . A 30 VAL HG13 . 26034 1 332 . 1 1 30 30 VAL HG21 H 1 0.77 0.02 . 2 . . . A 30 VAL HG21 . 26034 1 333 . 1 1 30 30 VAL HG22 H 1 0.77 0.02 . 2 . . . A 30 VAL HG22 . 26034 1 334 . 1 1 30 30 VAL HG23 H 1 0.77 0.02 . 2 . . . A 30 VAL HG23 . 26034 1 335 . 1 1 30 30 VAL CA C 13 65.9 0.1 . 1 . . . A 30 VAL CA . 26034 1 336 . 1 1 30 30 VAL CB C 13 31.4 0.1 . 1 . . . A 30 VAL CB . 26034 1 337 . 1 1 30 30 VAL CG1 C 13 22.5 0.1 . 1 . . . A 30 VAL CG1 . 26034 1 338 . 1 1 30 30 VAL CG2 C 13 21.9 0.1 . 1 . . . A 30 VAL CG2 . 26034 1 339 . 1 1 31 31 GLY H H 1 8.12 0.02 . 1 . . . A 31 GLY H . 26034 1 340 . 1 1 31 31 GLY HA2 H 1 3.85 0.02 . 2 . . . A 31 GLY HA2 . 26034 1 341 . 1 1 31 31 GLY HA3 H 1 3.85 0.02 . 2 . . . A 31 GLY HA3 . 26034 1 342 . 1 1 32 32 LYS H H 1 7.72 0.02 . 1 . . . A 32 LYS H . 26034 1 343 . 1 1 32 32 LYS HA H 1 4.18 0.02 . 1 . . . A 32 LYS HA . 26034 1 344 . 1 1 32 32 LYS HB2 H 1 1.93 0.02 . 2 . . . A 32 LYS HB2 . 26034 1 345 . 1 1 32 32 LYS HB3 H 1 1.93 0.02 . 2 . . . A 32 LYS HB3 . 26034 1 346 . 1 1 32 32 LYS HG2 H 1 1.50 0.02 . 2 . . . A 32 LYS HG2 . 26034 1 347 . 1 1 32 32 LYS HG3 H 1 1.57 0.02 . 2 . . . A 32 LYS HG3 . 26034 1 348 . 1 1 32 32 LYS HD2 H 1 1.70 0.02 . 2 . . . A 32 LYS HD2 . 26034 1 349 . 1 1 32 32 LYS HD3 H 1 1.70 0.02 . 2 . . . A 32 LYS HD3 . 26034 1 350 . 1 1 32 32 LYS HE2 H 1 2.96 0.02 . 2 . . . A 32 LYS HE2 . 26034 1 351 . 1 1 32 32 LYS HE3 H 1 2.96 0.02 . 2 . . . A 32 LYS HE3 . 26034 1 352 . 1 1 32 32 LYS CA C 13 57.7 0.1 . 1 . . . A 32 LYS CA . 26034 1 353 . 1 1 32 32 LYS CB C 13 31.5 0.1 . 1 . . . A 32 LYS CB . 26034 1 354 . 1 1 33 33 LYS H H 1 7.97 0.02 . 1 . . . A 33 LYS H . 26034 1 355 . 1 1 33 33 LYS HA H 1 4.23 0.02 . 1 . . . A 33 LYS HA . 26034 1 356 . 1 1 33 33 LYS HB2 H 1 1.69 0.02 . 2 . . . A 33 LYS HB2 . 26034 1 357 . 1 1 33 33 LYS HB3 H 1 1.87 0.02 . 2 . . . A 33 LYS HB3 . 26034 1 358 . 1 1 33 33 LYS HG2 H 1 1.50 0.02 . 2 . . . A 33 LYS HG2 . 26034 1 359 . 1 1 33 33 LYS HG3 H 1 1.50 0.02 . 2 . . . A 33 LYS HG3 . 26034 1 360 . 1 1 33 33 LYS CA C 13 56.8 0.1 . 1 . . . A 33 LYS CA . 26034 1 361 . 1 1 34 34 LYS H H 1 8.09 0.02 . 1 . . . A 34 LYS H . 26034 1 362 . 1 1 34 34 LYS HA H 1 4.24 0.02 . 1 . . . A 34 LYS HA . 26034 1 363 . 1 1 34 34 LYS HB2 H 1 1.80 0.02 . 2 . . . A 34 LYS HB2 . 26034 1 364 . 1 1 34 34 LYS HB3 H 1 1.86 0.02 . 2 . . . A 34 LYS HB3 . 26034 1 365 . 1 1 34 34 LYS HG2 H 1 1.49 0.02 . 2 . . . A 34 LYS HG2 . 26034 1 366 . 1 1 34 34 LYS HG3 H 1 1.49 0.02 . 2 . . . A 34 LYS HG3 . 26034 1 367 . 1 1 34 34 LYS HD2 H 1 1.68 0.02 . 2 . . . A 34 LYS HD2 . 26034 1 368 . 1 1 34 34 LYS HD3 H 1 1.68 0.02 . 2 . . . A 34 LYS HD3 . 26034 1 369 . 1 1 34 34 LYS CA C 13 56.5 0.1 . 1 . . . A 34 LYS CA . 26034 1 370 . 1 1 35 35 LYS H H 1 8.19 0.02 . 1 . . . A 35 LYS H . 26034 1 371 . 1 1 35 35 LYS HA H 1 4.25 0.02 . 1 . . . A 35 LYS HA . 26034 1 372 . 1 1 35 35 LYS CA C 13 56.2 0.1 . 1 . . . A 35 LYS CA . 26034 1 373 . 1 1 36 36 LYS H H 1 8.19 0.02 . 1 . . . A 36 LYS H . 26034 1 374 . 1 1 36 36 LYS HA H 1 4.25 0.02 . 1 . . . A 36 LYS HA . 26034 1 375 . 1 1 36 36 LYS HB2 H 1 1.78 0.02 . 2 . . . A 36 LYS HB2 . 26034 1 376 . 1 1 36 36 LYS HB3 H 1 1.84 0.02 . 2 . . . A 36 LYS HB3 . 26034 1 377 . 1 1 36 36 LYS HG2 H 1 1.48 0.02 . 2 . . . A 36 LYS HG2 . 26034 1 378 . 1 1 36 36 LYS HG3 H 1 1.48 0.02 . 2 . . . A 36 LYS HG3 . 26034 1 379 . 1 1 36 36 LYS HD2 H 1 1.69 0.02 . 2 . . . A 36 LYS HD2 . 26034 1 380 . 1 1 36 36 LYS HD3 H 1 1.69 0.02 . 2 . . . A 36 LYS HD3 . 26034 1 381 . 1 1 36 36 LYS CA C 13 56.2 0.1 . 1 . . . A 36 LYS CA . 26034 1 stop_ save_