data_25835 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25835 _Entry.Title ; NMR structure of OtTx1a - AMP in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-05 _Entry.Accession_date 2015-10-05 _Entry.Last_release_date 2016-09-29 _Entry.Original_release_date 2016-09-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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 Kirill Nadezhdin . . . . 25835 2 Daria Romanovskaya . . . . 25835 3 Maria Sachkova . . . . 25835 4 Alexander Vassilevski . . . . 25835 5 Evgeny Grishin . . . . 25835 6 Sergey Kovalchuk . . . . 25835 7 Alexander Arseniev . . . . 25835 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' . 25835 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelles' . 25835 'N - terminal end' . 25835 'NMR structure' . 25835 'Spider venom' . 25835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 125 25835 '1H chemical shifts' 319 25835 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 . . 2016-09-29 . original BMRB . 25835 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25836 'OtTx1a - ICK' 25835 PDB 2N85 'BMRB Entry Tracking System' 25835 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25835 _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 ; NMR structure of OtTx1a - AMP in DPC micelles ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Kirill Nadezhdin . . . . 25835 1 2 Daria Romanovskaya . . . . 25835 1 3 Maria Sachkova . . . . 25835 1 4 Alexander Vassilevski . . . . 25835 1 5 Evgeny Grishin . . . . 25835 1 6 Sergey Kovalchuk . . . . 25835 1 7 Alexander Arseniev . . . . 25835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25835 _Assembly.ID 1 _Assembly.Name 'OtTx1a - AMP 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 entity 1 $entity A . yes native no no . . . 25835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25835 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; KFKWGKLFSTAKKLYKKGKK LSKNKNFKKALKFGKQLAKN L ; _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 41 _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 4832.061 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P86716 . SPN1A_OXYTA . . . . . . . . . . . . . . 25835 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 LYS . 25835 1 2 2 PHE . 25835 1 3 3 LYS . 25835 1 4 4 TRP . 25835 1 5 5 GLY . 25835 1 6 6 LYS . 25835 1 7 7 LEU . 25835 1 8 8 PHE . 25835 1 9 9 SER . 25835 1 10 10 THR . 25835 1 11 11 ALA . 25835 1 12 12 LYS . 25835 1 13 13 LYS . 25835 1 14 14 LEU . 25835 1 15 15 TYR . 25835 1 16 16 LYS . 25835 1 17 17 LYS . 25835 1 18 18 GLY . 25835 1 19 19 LYS . 25835 1 20 20 LYS . 25835 1 21 21 LEU . 25835 1 22 22 SER . 25835 1 23 23 LYS . 25835 1 24 24 ASN . 25835 1 25 25 LYS . 25835 1 26 26 ASN . 25835 1 27 27 PHE . 25835 1 28 28 LYS . 25835 1 29 29 LYS . 25835 1 30 30 ALA . 25835 1 31 31 LEU . 25835 1 32 32 LYS . 25835 1 33 33 PHE . 25835 1 34 34 GLY . 25835 1 35 35 LYS . 25835 1 36 36 GLN . 25835 1 37 37 LEU . 25835 1 38 38 ALA . 25835 1 39 39 LYS . 25835 1 40 40 ASN . 25835 1 41 41 LEU . 25835 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 25835 1 . PHE 2 2 25835 1 . LYS 3 3 25835 1 . TRP 4 4 25835 1 . GLY 5 5 25835 1 . LYS 6 6 25835 1 . LEU 7 7 25835 1 . PHE 8 8 25835 1 . SER 9 9 25835 1 . THR 10 10 25835 1 . ALA 11 11 25835 1 . LYS 12 12 25835 1 . LYS 13 13 25835 1 . LEU 14 14 25835 1 . TYR 15 15 25835 1 . LYS 16 16 25835 1 . LYS 17 17 25835 1 . GLY 18 18 25835 1 . LYS 19 19 25835 1 . LYS 20 20 25835 1 . LEU 21 21 25835 1 . SER 22 22 25835 1 . LYS 23 23 25835 1 . ASN 24 24 25835 1 . LYS 25 25 25835 1 . ASN 26 26 25835 1 . PHE 27 27 25835 1 . LYS 28 28 25835 1 . LYS 29 29 25835 1 . ALA 30 30 25835 1 . LEU 31 31 25835 1 . LYS 32 32 25835 1 . PHE 33 33 25835 1 . GLY 34 34 25835 1 . LYS 35 35 25835 1 . GLN 36 36 25835 1 . LEU 37 37 25835 1 . ALA 38 38 25835 1 . LYS 39 39 25835 1 . ASN 40 40 25835 1 . LEU 41 41 25835 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 25835 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 666126 organism . 'Oxyopes Takobius' spiders . . Eukaryota Metazoa Oxyopes Takobius . . . . . . . . . . . . 'spider venom' 25835 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 25835 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' none . . . . . . . . . . . none . . . 25835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25835 _Sample.ID 1 _Sample.Type micelle _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 entity 'natural abundance' . . 1 $entity . . 0.6 . . mM . . . . 25835 1 2 DPC 'natural abundance' . . . . . . 60 . . mM . . . . 25835 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25835 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25835 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25835 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.3 . pH 25835 1 pressure 1 . atm 25835 1 temperature 313 . K 25835 1 stop_ save_ ############################ # Computer software used # ############################ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 25835 _Software.ID 1 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 25835 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25835 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25835 _Software.ID 2 _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' . . 25835 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25835 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25835 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25835 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25835 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25835 _Software.ID 4 _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' . . 25835 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'angle prediction' 25835 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25835 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25835 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25835 5 'data analysis' 25835 5 processing 25835 5 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 25835 _NMR_spectrometer.ID 1 _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 25835 _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 . 800 . . . 25835 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 25835 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25835 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25835 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25835 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 25835 _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 . . . . . 25835 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25835 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 25835 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 25835 1 2 '2D 1H-1H TOCSY' . . . 25835 1 3 '2D 1H-1H NOESY' . . . 25835 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 4.049 . . . . . . A 1 LYS HA . 25835 1 2 . 1 1 1 1 LYS HB2 H 1 1.894 . . . . . . A 1 LYS HB2 . 25835 1 3 . 1 1 1 1 LYS HB3 H 1 1.457 . . . . . . A 1 LYS HB3 . 25835 1 4 . 1 1 1 1 LYS HD2 H 1 1.723 . . . . . . A 1 LYS HD2 . 25835 1 5 . 1 1 1 1 LYS HD3 H 1 1.723 . . . . . . A 1 LYS HD3 . 25835 1 6 . 1 1 1 1 LYS HE2 H 1 2.960 . . . . . . A 1 LYS HE2 . 25835 1 7 . 1 1 1 1 LYS HE3 H 1 3.028 . . . . . . A 1 LYS HE3 . 25835 1 8 . 1 1 1 1 LYS H H 1 9.104 . . . . . . A 1 LYS H1 . 25835 1 9 . 1 1 1 1 LYS CA C 13 54.588 . . . . . . A 1 LYS CA . 25835 1 10 . 1 1 2 2 PHE H H 1 9.104 . . . . . . A 2 PHE H . 25835 1 11 . 1 1 2 2 PHE HA H 1 4.353 . . . . . . A 2 PHE HA . 25835 1 12 . 1 1 2 2 PHE HB2 H 1 2.785 . . . . . . A 2 PHE HB2 . 25835 1 13 . 1 1 2 2 PHE HB3 H 1 2.445 . . . . . . A 2 PHE HB3 . 25835 1 14 . 1 1 2 2 PHE HD1 H 1 6.612 . . . . . . A 2 PHE HD1 . 25835 1 15 . 1 1 2 2 PHE HD2 H 1 6.612 . . . . . . A 2 PHE HD2 . 25835 1 16 . 1 1 2 2 PHE HE1 H 1 6.774 . . . . . . A 2 PHE HE1 . 25835 1 17 . 1 1 2 2 PHE HE2 H 1 6.774 . . . . . . A 2 PHE HE2 . 25835 1 18 . 1 1 2 2 PHE CA C 13 57.364 . . . . . . A 2 PHE CA . 25835 1 19 . 1 1 2 2 PHE CB C 13 38.971 . . . . . . A 2 PHE CB . 25835 1 20 . 1 1 3 3 LYS H H 1 7.826 . . . . . . A 3 LYS H . 25835 1 21 . 1 1 3 3 LYS HA H 1 4.325 . . . . . . A 3 LYS HA . 25835 1 22 . 1 1 3 3 LYS HB2 H 1 1.505 . . . . . . A 3 LYS HB2 . 25835 1 23 . 1 1 3 3 LYS HB3 H 1 1.585 . . . . . . A 3 LYS HB3 . 25835 1 24 . 1 1 3 3 LYS HG2 H 1 1.340 . . . . . . A 3 LYS HG2 . 25835 1 25 . 1 1 3 3 LYS HG3 H 1 1.340 . . . . . . A 3 LYS HG3 . 25835 1 26 . 1 1 3 3 LYS HD2 H 1 1.683 . . . . . . A 3 LYS HD2 . 25835 1 27 . 1 1 3 3 LYS HD3 H 1 1.683 . . . . . . A 3 LYS HD3 . 25835 1 28 . 1 1 3 3 LYS CA C 13 54.103 . . . . . . A 3 LYS CA . 25835 1 29 . 1 1 3 3 LYS CB C 13 30.844 . . . . . . A 3 LYS CB . 25835 1 30 . 1 1 3 3 LYS CG C 13 24.636 . . . . . . A 3 LYS CG . 25835 1 31 . 1 1 3 3 LYS CD C 13 28.197 . . . . . . A 3 LYS CD . 25835 1 32 . 1 1 4 4 TRP H H 1 7.838 . . . . . . A 4 TRP H . 25835 1 33 . 1 1 4 4 TRP HA H 1 4.201 . . . . . . A 4 TRP HA . 25835 1 34 . 1 1 4 4 TRP HB2 H 1 3.238 . . . . . . A 4 TRP HB2 . 25835 1 35 . 1 1 4 4 TRP HB3 H 1 3.061 . . . . . . A 4 TRP HB3 . 25835 1 36 . 1 1 4 4 TRP HD1 H 1 7.441 . . . . . . A 4 TRP HD1 . 25835 1 37 . 1 1 4 4 TRP HE3 H 1 7.479 . . . . . . A 4 TRP HE3 . 25835 1 38 . 1 1 4 4 TRP HZ2 H 1 6.954 . . . . . . A 4 TRP HZ2 . 25835 1 39 . 1 1 4 4 TRP HZ3 H 1 6.885 . . . . . . A 4 TRP HZ3 . 25835 1 40 . 1 1 4 4 TRP HH2 H 1 7.382 . . . . . . A 4 TRP HH2 . 25835 1 41 . 1 1 4 4 TRP CA C 13 58.893 . . . . . . A 4 TRP CA . 25835 1 42 . 1 1 4 4 TRP CB C 13 28.804 . . . . . . A 4 TRP CB . 25835 1 43 . 1 1 5 5 GLY H H 1 8.877 . . . . . . A 5 GLY H . 25835 1 44 . 1 1 5 5 GLY HA2 H 1 3.992 . . . . . . A 5 GLY HA2 . 25835 1 45 . 1 1 5 5 GLY HA3 H 1 3.827 . . . . . . A 5 GLY HA3 . 25835 1 46 . 1 1 5 5 GLY CA C 13 46.488 . . . . . . A 5 GLY CA . 25835 1 47 . 1 1 6 6 LYS H H 1 7.740 . . . . . . A 6 LYS H . 25835 1 48 . 1 1 6 6 LYS HA H 1 4.300 . . . . . . A 6 LYS HA . 25835 1 49 . 1 1 6 6 LYS HB2 H 1 1.854 . . . . . . A 6 LYS HB2 . 25835 1 50 . 1 1 6 6 LYS HB3 H 1 1.854 . . . . . . A 6 LYS HB3 . 25835 1 51 . 1 1 6 6 LYS HG2 H 1 1.427 . . . . . . A 6 LYS HG2 . 25835 1 52 . 1 1 6 6 LYS HG3 H 1 1.427 . . . . . . A 6 LYS HG3 . 25835 1 53 . 1 1 6 6 LYS HD2 H 1 1.675 . . . . . . A 6 LYS HD2 . 25835 1 54 . 1 1 6 6 LYS HD3 H 1 1.675 . . . . . . A 6 LYS HD3 . 25835 1 55 . 1 1 6 6 LYS CA C 13 57.358 . . . . . . A 6 LYS CA . 25835 1 56 . 1 1 6 6 LYS CB C 13 31.401 . . . . . . A 6 LYS CB . 25835 1 57 . 1 1 6 6 LYS CG C 13 24.025 . . . . . . A 6 LYS CG . 25835 1 58 . 1 1 6 6 LYS CD C 13 28.661 . . . . . . A 6 LYS CD . 25835 1 59 . 1 1 7 7 LEU H H 1 7.839 . . . . . . A 7 LEU H . 25835 1 60 . 1 1 7 7 LEU HA H 1 4.154 . . . . . . A 7 LEU HA . 25835 1 61 . 1 1 7 7 LEU HB2 H 1 1.933 . . . . . . A 7 LEU HB2 . 25835 1 62 . 1 1 7 7 LEU HB3 H 1 1.842 . . . . . . A 7 LEU HB3 . 25835 1 63 . 1 1 7 7 LEU HG H 1 1.768 . . . . . . A 7 LEU HG . 25835 1 64 . 1 1 7 7 LEU HD11 H 1 0.994 . . . . . . A 7 LEU HD11 . 25835 1 65 . 1 1 7 7 LEU HD12 H 1 0.994 . . . . . . A 7 LEU HD12 . 25835 1 66 . 1 1 7 7 LEU HD13 H 1 0.994 . . . . . . A 7 LEU HD13 . 25835 1 67 . 1 1 7 7 LEU HD21 H 1 0.994 . . . . . . A 7 LEU HD21 . 25835 1 68 . 1 1 7 7 LEU HD22 H 1 0.994 . . . . . . A 7 LEU HD22 . 25835 1 69 . 1 1 7 7 LEU HD23 H 1 0.994 . . . . . . A 7 LEU HD23 . 25835 1 70 . 1 1 7 7 LEU CA C 13 57.363 . . . . . . A 7 LEU CA . 25835 1 71 . 1 1 7 7 LEU CB C 13 40.803 . . . . . . A 7 LEU CB . 25835 1 72 . 1 1 7 7 LEU CG C 13 26.848 . . . . . . A 7 LEU CG . 25835 1 73 . 1 1 7 7 LEU CD1 C 13 24.168 . . . . . . A 7 LEU CD1 . 25835 1 74 . 1 1 8 8 PHE H H 1 8.404 . . . . . . A 8 PHE H . 25835 1 75 . 1 1 8 8 PHE HA H 1 4.357 . . . . . . A 8 PHE HA . 25835 1 76 . 1 1 8 8 PHE HB2 H 1 3.290 . . . . . . A 8 PHE HB2 . 25835 1 77 . 1 1 8 8 PHE HB3 H 1 3.290 . . . . . . A 8 PHE HB3 . 25835 1 78 . 1 1 8 8 PHE HD1 H 1 7.284 . . . . . . A 8 PHE HD1 . 25835 1 79 . 1 1 8 8 PHE HD2 H 1 7.284 . . . . . . A 8 PHE HD2 . 25835 1 80 . 1 1 8 8 PHE CA C 13 59.586 . . . . . . A 8 PHE CA . 25835 1 81 . 1 1 8 8 PHE CB C 13 37.549 . . . . . . A 8 PHE CB . 25835 1 82 . 1 1 9 9 SER H H 1 8.415 . . . . . . A 9 SER H . 25835 1 83 . 1 1 9 9 SER HA H 1 4.083 . . . . . . A 9 SER HA . 25835 1 84 . 1 1 9 9 SER HB2 H 1 4.050 . . . . . . A 9 SER HB2 . 25835 1 85 . 1 1 9 9 SER HB3 H 1 4.024 . . . . . . A 9 SER HB3 . 25835 1 86 . 1 1 9 9 SER CA C 13 61.080 . . . . . . A 9 SER CA . 25835 1 87 . 1 1 9 9 SER CB C 13 61.641 . . . . . . A 9 SER CB . 25835 1 88 . 1 1 10 10 THR H H 1 8.018 . . . . . . A 10 THR H . 25835 1 89 . 1 1 10 10 THR HA H 1 3.917 . . . . . . A 10 THR HA . 25835 1 90 . 1 1 10 10 THR HB H 1 4.283 . . . . . . A 10 THR HB . 25835 1 91 . 1 1 10 10 THR HG21 H 1 1.235 . . . . . . A 10 THR HG21 . 25835 1 92 . 1 1 10 10 THR HG22 H 1 1.235 . . . . . . A 10 THR HG22 . 25835 1 93 . 1 1 10 10 THR HG23 H 1 1.235 . . . . . . A 10 THR HG23 . 25835 1 94 . 1 1 10 10 THR CA C 13 66.484 . . . . . . A 10 THR CA . 25835 1 95 . 1 1 10 10 THR CB C 13 67.412 . . . . . . A 10 THR CB . 25835 1 96 . 1 1 10 10 THR CG2 C 13 21.005 . . . . . . A 10 THR CG2 . 25835 1 97 . 1 1 11 11 ALA H H 1 8.542 . . . . . . A 11 ALA H . 25835 1 98 . 1 1 11 11 ALA HA H 1 3.934 . . . . . . A 11 ALA HA . 25835 1 99 . 1 1 11 11 ALA HB1 H 1 1.514 . . . . . . A 11 ALA HB1 . 25835 1 100 . 1 1 11 11 ALA HB2 H 1 1.514 . . . . . . A 11 ALA HB2 . 25835 1 101 . 1 1 11 11 ALA HB3 H 1 1.514 . . . . . . A 11 ALA HB3 . 25835 1 102 . 1 1 11 11 ALA CA C 13 55.007 . . . . . . A 11 ALA CA . 25835 1 103 . 1 1 11 11 ALA CB C 13 17.260 . . . . . . A 11 ALA CB . 25835 1 104 . 1 1 12 12 LYS H H 1 8.133 . . . . . . A 12 LYS H . 25835 1 105 . 1 1 12 12 LYS HA H 1 3.881 . . . . . . A 12 LYS HA . 25835 1 106 . 1 1 12 12 LYS HB2 H 1 1.837 . . . . . . A 12 LYS HB2 . 25835 1 107 . 1 1 12 12 LYS HB3 H 1 1.764 . . . . . . A 12 LYS HB3 . 25835 1 108 . 1 1 12 12 LYS HG2 H 1 1.441 . . . . . . A 12 LYS HG2 . 25835 1 109 . 1 1 12 12 LYS HG3 H 1 1.290 . . . . . . A 12 LYS HG3 . 25835 1 110 . 1 1 12 12 LYS HD2 H 1 1.621 . . . . . . A 12 LYS HD2 . 25835 1 111 . 1 1 12 12 LYS HD3 H 1 1.621 . . . . . . A 12 LYS HD3 . 25835 1 112 . 1 1 12 12 LYS HE2 H 1 2.754 . . . . . . A 12 LYS HE2 . 25835 1 113 . 1 1 12 12 LYS HE3 H 1 2.699 . . . . . . A 12 LYS HE3 . 25835 1 114 . 1 1 12 12 LYS CA C 13 59.642 . . . . . . A 12 LYS CA . 25835 1 115 . 1 1 12 12 LYS CB C 13 31.467 . . . . . . A 12 LYS CB . 25835 1 116 . 1 1 12 12 LYS CG C 13 24.835 . . . . . . A 12 LYS CG . 25835 1 117 . 1 1 12 12 LYS CD C 13 28.203 . . . . . . A 12 LYS CD . 25835 1 118 . 1 1 12 12 LYS CE C 13 40.896 . . . . . . A 12 LYS CE . 25835 1 119 . 1 1 13 13 LYS H H 1 7.631 . . . . . . A 13 LYS H . 25835 1 120 . 1 1 13 13 LYS HA H 1 4.031 . . . . . . A 13 LYS HA . 25835 1 121 . 1 1 13 13 LYS HB2 H 1 2.054 . . . . . . A 13 LYS HB2 . 25835 1 122 . 1 1 13 13 LYS HB3 H 1 1.938 . . . . . . A 13 LYS HB3 . 25835 1 123 . 1 1 13 13 LYS HG2 H 1 1.464 . . . . . . A 13 LYS HG2 . 25835 1 124 . 1 1 13 13 LYS HG3 H 1 1.464 . . . . . . A 13 LYS HG3 . 25835 1 125 . 1 1 13 13 LYS HD2 H 1 1.672 . . . . . . A 13 LYS HD2 . 25835 1 126 . 1 1 13 13 LYS HD3 H 1 1.672 . . . . . . A 13 LYS HD3 . 25835 1 127 . 1 1 13 13 LYS CA C 13 58.983 . . . . . . A 13 LYS CA . 25835 1 128 . 1 1 13 13 LYS CB C 13 31.582 . . . . . . A 13 LYS CB . 25835 1 129 . 1 1 13 13 LYS CG C 13 23.126 . . . . . . A 13 LYS CG . 25835 1 130 . 1 1 13 13 LYS CD C 13 28.270 . . . . . . A 13 LYS CD . 25835 1 131 . 1 1 14 14 LEU H H 1 8.232 . . . . . . A 14 LEU H . 25835 1 132 . 1 1 14 14 LEU HA H 1 4.017 . . . . . . A 14 LEU HA . 25835 1 133 . 1 1 14 14 LEU HB2 H 1 1.954 . . . . . . A 14 LEU HB2 . 25835 1 134 . 1 1 14 14 LEU HB3 H 1 1.494 . . . . . . A 14 LEU HB3 . 25835 1 135 . 1 1 14 14 LEU HG H 1 1.894 . . . . . . A 14 LEU HG . 25835 1 136 . 1 1 14 14 LEU HD11 H 1 0.868 . . . . . . A 14 LEU HD11 . 25835 1 137 . 1 1 14 14 LEU HD12 H 1 0.868 . . . . . . A 14 LEU HD12 . 25835 1 138 . 1 1 14 14 LEU HD13 H 1 0.868 . . . . . . A 14 LEU HD13 . 25835 1 139 . 1 1 14 14 LEU HD21 H 1 0.858 . . . . . . A 14 LEU HD21 . 25835 1 140 . 1 1 14 14 LEU HD22 H 1 0.858 . . . . . . A 14 LEU HD22 . 25835 1 141 . 1 1 14 14 LEU HD23 H 1 0.858 . . . . . . A 14 LEU HD23 . 25835 1 142 . 1 1 14 14 LEU CA C 13 56.984 . . . . . . A 14 LEU CA . 25835 1 143 . 1 1 14 14 LEU CB C 13 40.832 . . . . . . A 14 LEU CB . 25835 1 144 . 1 1 14 14 LEU CG C 13 25.972 . . . . . . A 14 LEU CG . 25835 1 145 . 1 1 14 14 LEU CD1 C 13 24.799 . . . . . . A 14 LEU CD1 . 25835 1 146 . 1 1 14 14 LEU CD2 C 13 22.490 . . . . . . A 14 LEU CD2 . 25835 1 147 . 1 1 15 15 TYR H H 1 8.489 . . . . . . A 15 TYR H . 25835 1 148 . 1 1 15 15 TYR HA H 1 4.070 . . . . . . A 15 TYR HA . 25835 1 149 . 1 1 15 15 TYR HB2 H 1 3.195 . . . . . . A 15 TYR HB2 . 25835 1 150 . 1 1 15 15 TYR HB3 H 1 3.062 . . . . . . A 15 TYR HB3 . 25835 1 151 . 1 1 15 15 TYR HD1 H 1 6.751 . . . . . . A 15 TYR HD1 . 25835 1 152 . 1 1 15 15 TYR HD2 H 1 6.751 . . . . . . A 15 TYR HD2 . 25835 1 153 . 1 1 15 15 TYR HE1 H 1 6.925 . . . . . . A 15 TYR HE1 . 25835 1 154 . 1 1 15 15 TYR HE2 H 1 6.925 . . . . . . A 15 TYR HE2 . 25835 1 155 . 1 1 15 15 TYR HH H 1 7.286 . . . . . . A 15 TYR HH . 25835 1 156 . 1 1 15 15 TYR CA C 13 60.638 . . . . . . A 15 TYR CA . 25835 1 157 . 1 1 15 15 TYR CB C 13 37.784 . . . . . . A 15 TYR CB . 25835 1 158 . 1 1 16 16 LYS H H 1 7.959 . . . . . . A 16 LYS H . 25835 1 159 . 1 1 16 16 LYS HA H 1 3.693 . . . . . . A 16 LYS HA . 25835 1 160 . 1 1 16 16 LYS HB2 H 1 1.954 . . . . . . A 16 LYS HB2 . 25835 1 161 . 1 1 16 16 LYS HB3 H 1 1.883 . . . . . . A 16 LYS HB3 . 25835 1 162 . 1 1 16 16 LYS HG2 H 1 1.481 . . . . . . A 16 LYS HG2 . 25835 1 163 . 1 1 16 16 LYS HG3 H 1 1.481 . . . . . . A 16 LYS HG3 . 25835 1 164 . 1 1 16 16 LYS HD2 H 1 1.715 . . . . . . A 16 LYS HD2 . 25835 1 165 . 1 1 16 16 LYS HD3 H 1 1.715 . . . . . . A 16 LYS HD3 . 25835 1 166 . 1 1 16 16 LYS CA C 13 58.894 . . . . . . A 16 LYS CA . 25835 1 167 . 1 1 16 16 LYS CB C 13 31.410 . . . . . . A 16 LYS CB . 25835 1 168 . 1 1 16 16 LYS CG C 13 24.251 . . . . . . A 16 LYS CG . 25835 1 169 . 1 1 16 16 LYS CD C 13 28.347 . . . . . . A 16 LYS CD . 25835 1 170 . 1 1 17 17 LYS H H 1 7.862 . . . . . . A 17 LYS H . 25835 1 171 . 1 1 17 17 LYS HA H 1 4.075 . . . . . . A 17 LYS HA . 25835 1 172 . 1 1 17 17 LYS HB2 H 1 1.951 . . . . . . A 17 LYS HB2 . 25835 1 173 . 1 1 17 17 LYS HB3 H 1 1.851 . . . . . . A 17 LYS HB3 . 25835 1 174 . 1 1 17 17 LYS HG2 H 1 1.432 . . . . . . A 17 LYS HG2 . 25835 1 175 . 1 1 17 17 LYS HG3 H 1 1.432 . . . . . . A 17 LYS HG3 . 25835 1 176 . 1 1 17 17 LYS HD2 H 1 1.669 . . . . . . A 17 LYS HD2 . 25835 1 177 . 1 1 17 17 LYS HD3 H 1 1.669 . . . . . . A 17 LYS HD3 . 25835 1 178 . 1 1 17 17 LYS CA C 13 57.774 . . . . . . A 17 LYS CA . 25835 1 179 . 1 1 17 17 LYS CB C 13 31.147 . . . . . . A 17 LYS CB . 25835 1 180 . 1 1 17 17 LYS CG C 13 24.028 . . . . . . A 17 LYS CG . 25835 1 181 . 1 1 17 17 LYS CD C 13 28.309 . . . . . . A 17 LYS CD . 25835 1 182 . 1 1 18 18 GLY H H 1 8.651 . . . . . . A 18 GLY H . 25835 1 183 . 1 1 18 18 GLY HA2 H 1 3.649 . . . . . . A 18 GLY HA2 . 25835 1 184 . 1 1 18 18 GLY HA3 H 1 3.528 . . . . . . A 18 GLY HA3 . 25835 1 185 . 1 1 18 18 GLY CA C 13 46.154 . . . . . . A 18 GLY CA . 25835 1 186 . 1 1 19 19 LYS H H 1 8.271 . . . . . . A 19 LYS H . 25835 1 187 . 1 1 19 19 LYS HA H 1 3.785 . . . . . . A 19 LYS HA . 25835 1 188 . 1 1 19 19 LYS HB2 H 1 1.657 . . . . . . A 19 LYS HB2 . 25835 1 189 . 1 1 19 19 LYS HB3 H 1 1.597 . . . . . . A 19 LYS HB3 . 25835 1 190 . 1 1 19 19 LYS HG2 H 1 1.235 . . . . . . A 19 LYS HG2 . 25835 1 191 . 1 1 19 19 LYS HG3 H 1 1.209 . . . . . . A 19 LYS HG3 . 25835 1 192 . 1 1 19 19 LYS HD2 H 1 1.527 . . . . . . A 19 LYS HD2 . 25835 1 193 . 1 1 19 19 LYS HD3 H 1 1.527 . . . . . . A 19 LYS HD3 . 25835 1 194 . 1 1 19 19 LYS HE2 H 1 2.820 . . . . . . A 19 LYS HE2 . 25835 1 195 . 1 1 19 19 LYS HE3 H 1 2.820 . . . . . . A 19 LYS HE3 . 25835 1 196 . 1 1 19 19 LYS CA C 13 58.338 . . . . . . A 19 LYS CA . 25835 1 197 . 1 1 19 19 LYS CB C 13 30.830 . . . . . . A 19 LYS CB . 25835 1 198 . 1 1 19 19 LYS CG C 13 23.776 . . . . . . A 19 LYS CG . 25835 1 199 . 1 1 19 19 LYS CD C 13 28.182 . . . . . . A 19 LYS CD . 25835 1 200 . 1 1 20 20 LYS H H 1 7.559 . . . . . . A 20 LYS H . 25835 1 201 . 1 1 20 20 LYS HA H 1 4.050 . . . . . . A 20 LYS HA . 25835 1 202 . 1 1 20 20 LYS HB2 H 1 1.906 . . . . . . A 20 LYS HB2 . 25835 1 203 . 1 1 20 20 LYS HB3 H 1 1.872 . . . . . . A 20 LYS HB3 . 25835 1 204 . 1 1 20 20 LYS HG2 H 1 1.336 . . . . . . A 20 LYS HG2 . 25835 1 205 . 1 1 20 20 LYS HG3 H 1 1.336 . . . . . . A 20 LYS HG3 . 25835 1 206 . 1 1 20 20 LYS HD2 H 1 1.737 . . . . . . A 20 LYS HD2 . 25835 1 207 . 1 1 20 20 LYS HD3 H 1 1.737 . . . . . . A 20 LYS HD3 . 25835 1 208 . 1 1 20 20 LYS CA C 13 57.838 . . . . . . A 20 LYS CA . 25835 1 209 . 1 1 20 20 LYS CB C 13 32.276 . . . . . . A 20 LYS CB . 25835 1 210 . 1 1 20 20 LYS CG C 13 23.648 . . . . . . A 20 LYS CG . 25835 1 211 . 1 1 20 20 LYS CD C 13 28.217 . . . . . . A 20 LYS CD . 25835 1 212 . 1 1 21 21 LEU H H 1 7.925 . . . . . . A 21 LEU H . 25835 1 213 . 1 1 21 21 LEU HA H 1 4.086 . . . . . . A 21 LEU HA . 25835 1 214 . 1 1 21 21 LEU HB2 H 1 1.713 . . . . . . A 21 LEU HB2 . 25835 1 215 . 1 1 21 21 LEU HB3 H 1 1.400 . . . . . . A 21 LEU HB3 . 25835 1 216 . 1 1 21 21 LEU HG H 1 1.692 . . . . . . A 21 LEU HG . 25835 1 217 . 1 1 21 21 LEU HD11 H 1 0.843 . . . . . . A 21 LEU HD11 . 25835 1 218 . 1 1 21 21 LEU HD12 H 1 0.843 . . . . . . A 21 LEU HD12 . 25835 1 219 . 1 1 21 21 LEU HD13 H 1 0.843 . . . . . . A 21 LEU HD13 . 25835 1 220 . 1 1 21 21 LEU HD21 H 1 0.826 . . . . . . A 21 LEU HD21 . 25835 1 221 . 1 1 21 21 LEU HD22 H 1 0.826 . . . . . . A 21 LEU HD22 . 25835 1 222 . 1 1 21 21 LEU HD23 H 1 0.826 . . . . . . A 21 LEU HD23 . 25835 1 223 . 1 1 21 21 LEU CA C 13 55.837 . . . . . . A 21 LEU CA . 25835 1 224 . 1 1 21 21 LEU CB C 13 41.056 . . . . . . A 21 LEU CB . 25835 1 225 . 1 1 21 21 LEU CG C 13 25.947 . . . . . . A 21 LEU CG . 25835 1 226 . 1 1 21 21 LEU CD1 C 13 24.521 . . . . . . A 21 LEU CD1 . 25835 1 227 . 1 1 21 21 LEU CD2 C 13 22.792 . . . . . . A 21 LEU CD2 . 25835 1 228 . 1 1 22 22 SER H H 1 7.693 . . . . . . A 22 SER H . 25835 1 229 . 1 1 22 22 SER HA H 1 3.621 . . . . . . A 22 SER HA . 25835 1 230 . 1 1 22 22 SER HB2 H 1 3.749 . . . . . . A 22 SER HB2 . 25835 1 231 . 1 1 22 22 SER HB3 H 1 3.649 . . . . . . A 22 SER HB3 . 25835 1 232 . 1 1 22 22 SER CA C 13 59.577 . . . . . . A 22 SER CA . 25835 1 233 . 1 1 22 22 SER CB C 13 62.318 . . . . . . A 22 SER CB . 25835 1 234 . 1 1 23 23 LYS H H 1 7.301 . . . . . . A 23 LYS H . 25835 1 235 . 1 1 23 23 LYS HA H 1 4.264 . . . . . . A 23 LYS HA . 25835 1 236 . 1 1 23 23 LYS HB2 H 1 1.948 . . . . . . A 23 LYS HB2 . 25835 1 237 . 1 1 23 23 LYS HB3 H 1 1.761 . . . . . . A 23 LYS HB3 . 25835 1 238 . 1 1 23 23 LYS HG2 H 1 1.477 . . . . . . A 23 LYS HG2 . 25835 1 239 . 1 1 23 23 LYS HG3 H 1 1.407 . . . . . . A 23 LYS HG3 . 25835 1 240 . 1 1 23 23 LYS HD2 H 1 1.642 . . . . . . A 23 LYS HD2 . 25835 1 241 . 1 1 23 23 LYS HD3 H 1 1.629 . . . . . . A 23 LYS HD3 . 25835 1 242 . 1 1 23 23 LYS CA C 13 55.364 . . . . . . A 23 LYS CA . 25835 1 243 . 1 1 23 23 LYS CB C 13 31.593 . . . . . . A 23 LYS CB . 25835 1 244 . 1 1 23 23 LYS CG C 13 24.169 . . . . . . A 23 LYS CG . 25835 1 245 . 1 1 23 23 LYS CD C 13 28.724 . . . . . . A 23 LYS CD . 25835 1 246 . 1 1 24 24 ASN H H 1 8.064 . . . . . . A 24 ASN H . 25835 1 247 . 1 1 24 24 ASN HA H 1 4.616 . . . . . . A 24 ASN HA . 25835 1 248 . 1 1 24 24 ASN HB2 H 1 2.997 . . . . . . A 24 ASN HB2 . 25835 1 249 . 1 1 24 24 ASN HB3 H 1 2.905 . . . . . . A 24 ASN HB3 . 25835 1 250 . 1 1 24 24 ASN HD21 H 1 7.370 . . . . . . A 24 ASN HD21 . 25835 1 251 . 1 1 24 24 ASN HD22 H 1 7.847 . . . . . . A 24 ASN HD22 . 25835 1 252 . 1 1 24 24 ASN CB C 13 39.031 . . . . . . A 24 ASN CB . 25835 1 253 . 1 1 25 25 LYS H H 1 8.776 . . . . . . A 25 LYS H . 25835 1 254 . 1 1 25 25 LYS HA H 1 4.124 . . . . . . A 25 LYS HA . 25835 1 255 . 1 1 25 25 LYS HB2 H 1 1.841 . . . . . . A 25 LYS HB2 . 25835 1 256 . 1 1 25 25 LYS HB3 H 1 1.772 . . . . . . A 25 LYS HB3 . 25835 1 257 . 1 1 25 25 LYS HG2 H 1 1.430 . . . . . . A 25 LYS HG2 . 25835 1 258 . 1 1 25 25 LYS HG3 H 1 1.430 . . . . . . A 25 LYS HG3 . 25835 1 259 . 1 1 25 25 LYS HD2 H 1 1.677 . . . . . . A 25 LYS HD2 . 25835 1 260 . 1 1 25 25 LYS HD3 H 1 1.677 . . . . . . A 25 LYS HD3 . 25835 1 261 . 1 1 25 25 LYS CA C 13 57.639 . . . . . . A 25 LYS CA . 25835 1 262 . 1 1 25 25 LYS CB C 13 31.461 . . . . . . A 25 LYS CB . 25835 1 263 . 1 1 25 25 LYS CG C 13 23.812 . . . . . . A 25 LYS CG . 25835 1 264 . 1 1 25 25 LYS CD C 13 28.525 . . . . . . A 25 LYS CD . 25835 1 265 . 1 1 26 26 ASN H H 1 8.638 . . . . . . A 26 ASN H . 25835 1 266 . 1 1 26 26 ASN HA H 1 4.729 . . . . . . A 26 ASN HA . 25835 1 267 . 1 1 26 26 ASN HB2 H 1 2.877 . . . . . . A 26 ASN HB2 . 25835 1 268 . 1 1 26 26 ASN HB3 H 1 2.717 . . . . . . A 26 ASN HB3 . 25835 1 269 . 1 1 26 26 ASN HD21 H 1 7.092 . . . . . . A 26 ASN HD21 . 25835 1 270 . 1 1 26 26 ASN HD22 H 1 7.813 . . . . . . A 26 ASN HD22 . 25835 1 271 . 1 1 26 26 ASN CB C 13 37.573 . . . . . . A 26 ASN CB . 25835 1 272 . 1 1 27 27 PHE H H 1 8.384 . . . . . . A 27 PHE H . 25835 1 273 . 1 1 27 27 PHE HA H 1 4.218 . . . . . . A 27 PHE HA . 25835 1 274 . 1 1 27 27 PHE HB2 H 1 3.333 . . . . . . A 27 PHE HB2 . 25835 1 275 . 1 1 27 27 PHE HB3 H 1 3.147 . . . . . . A 27 PHE HB3 . 25835 1 276 . 1 1 27 27 PHE HD1 H 1 7.141 . . . . . . A 27 PHE HD1 . 25835 1 277 . 1 1 27 27 PHE HD2 H 1 7.141 . . . . . . A 27 PHE HD2 . 25835 1 278 . 1 1 27 27 PHE HE1 H 1 7.183 . . . . . . A 27 PHE HE1 . 25835 1 279 . 1 1 27 27 PHE HE2 H 1 7.183 . . . . . . A 27 PHE HE2 . 25835 1 280 . 1 1 27 27 PHE HZ H 1 7.098 . . . . . . A 27 PHE HZ . 25835 1 281 . 1 1 27 27 PHE CA C 13 60.324 . . . . . . A 27 PHE CA . 25835 1 282 . 1 1 27 27 PHE CB C 13 38.388 . . . . . . A 27 PHE CB . 25835 1 283 . 1 1 28 28 LYS H H 1 8.193 . . . . . . A 28 LYS H . 25835 1 284 . 1 1 28 28 LYS HA H 1 3.827 . . . . . . A 28 LYS HA . 25835 1 285 . 1 1 28 28 LYS HB2 H 1 1.948 . . . . . . A 28 LYS HB2 . 25835 1 286 . 1 1 28 28 LYS HB3 H 1 1.864 . . . . . . A 28 LYS HB3 . 25835 1 287 . 1 1 28 28 LYS HG2 H 1 1.477 . . . . . . A 28 LYS HG2 . 25835 1 288 . 1 1 28 28 LYS HG3 H 1 1.477 . . . . . . A 28 LYS HG3 . 25835 1 289 . 1 1 28 28 LYS HD2 H 1 1.727 . . . . . . A 28 LYS HD2 . 25835 1 290 . 1 1 28 28 LYS HD3 H 1 1.727 . . . . . . A 28 LYS HD3 . 25835 1 291 . 1 1 28 28 LYS HE2 H 1 3.009 . . . . . . A 28 LYS HE2 . 25835 1 292 . 1 1 28 28 LYS HE3 H 1 3.009 . . . . . . A 28 LYS HE3 . 25835 1 293 . 1 1 28 28 LYS CA C 13 59.201 . . . . . . A 28 LYS CA . 25835 1 294 . 1 1 28 28 LYS CB C 13 31.714 . . . . . . A 28 LYS CB . 25835 1 295 . 1 1 28 28 LYS CG C 13 24.735 . . . . . . A 28 LYS CG . 25835 1 296 . 1 1 28 28 LYS CD C 13 28.283 . . . . . . A 28 LYS CD . 25835 1 297 . 1 1 29 29 LYS H H 1 7.824 . . . . . . A 29 LYS H . 25835 1 298 . 1 1 29 29 LYS HA H 1 3.993 . . . . . . A 29 LYS HA . 25835 1 299 . 1 1 29 29 LYS HB2 H 1 1.932 . . . . . . A 29 LYS HB2 . 25835 1 300 . 1 1 29 29 LYS HB3 H 1 1.856 . . . . . . A 29 LYS HB3 . 25835 1 301 . 1 1 29 29 LYS HG2 H 1 1.725 . . . . . . A 29 LYS HG2 . 25835 1 302 . 1 1 29 29 LYS HG3 H 1 1.725 . . . . . . A 29 LYS HG3 . 25835 1 303 . 1 1 29 29 LYS HD2 H 1 1.576 . . . . . . A 29 LYS HD2 . 25835 1 304 . 1 1 29 29 LYS HD3 H 1 1.576 . . . . . . A 29 LYS HD3 . 25835 1 305 . 1 1 29 29 LYS HE2 H 1 2.942 . . . . . . A 29 LYS HE2 . 25835 1 306 . 1 1 29 29 LYS HE3 H 1 2.942 . . . . . . A 29 LYS HE3 . 25835 1 307 . 1 1 29 29 LYS CA C 13 58.571 . . . . . . A 29 LYS CA . 25835 1 308 . 1 1 29 29 LYS CB C 13 31.191 . . . . . . A 29 LYS CB . 25835 1 309 . 1 1 29 29 LYS CG C 13 24.759 . . . . . . A 29 LYS CG . 25835 1 310 . 1 1 29 29 LYS CD C 13 28.261 . . . . . . A 29 LYS CD . 25835 1 311 . 1 1 30 30 ALA H H 1 7.860 . . . . . . A 30 ALA H . 25835 1 312 . 1 1 30 30 ALA HA H 1 4.074 . . . . . . A 30 ALA HA . 25835 1 313 . 1 1 30 30 ALA HB1 H 1 1.426 . . . . . . A 30 ALA HB1 . 25835 1 314 . 1 1 30 30 ALA HB2 H 1 1.426 . . . . . . A 30 ALA HB2 . 25835 1 315 . 1 1 30 30 ALA HB3 H 1 1.426 . . . . . . A 30 ALA HB3 . 25835 1 316 . 1 1 30 30 ALA CA C 13 54.300 . . . . . . A 30 ALA CA . 25835 1 317 . 1 1 30 30 ALA CB C 13 17.348 . . . . . . A 30 ALA CB . 25835 1 318 . 1 1 31 31 LEU H H 1 7.932 . . . . . . A 31 LEU H . 25835 1 319 . 1 1 31 31 LEU HA H 1 3.970 . . . . . . A 31 LEU HA . 25835 1 320 . 1 1 31 31 LEU HB2 H 1 1.477 . . . . . . A 31 LEU HB2 . 25835 1 321 . 1 1 31 31 LEU HB3 H 1 1.688 . . . . . . A 31 LEU HB3 . 25835 1 322 . 1 1 31 31 LEU HG H 1 1.530 . . . . . . A 31 LEU HG . 25835 1 323 . 1 1 31 31 LEU HD11 H 1 0.779 . . . . . . A 31 LEU HD11 . 25835 1 324 . 1 1 31 31 LEU HD12 H 1 0.779 . . . . . . A 31 LEU HD12 . 25835 1 325 . 1 1 31 31 LEU HD13 H 1 0.779 . . . . . . A 31 LEU HD13 . 25835 1 326 . 1 1 31 31 LEU HD21 H 1 0.778 . . . . . . A 31 LEU HD21 . 25835 1 327 . 1 1 31 31 LEU HD22 H 1 0.778 . . . . . . A 31 LEU HD22 . 25835 1 328 . 1 1 31 31 LEU HD23 H 1 0.778 . . . . . . A 31 LEU HD23 . 25835 1 329 . 1 1 31 31 LEU CA C 13 56.494 . . . . . . A 31 LEU CA . 25835 1 330 . 1 1 31 31 LEU CB C 13 41.107 . . . . . . A 31 LEU CB . 25835 1 331 . 1 1 31 31 LEU CG C 13 25.848 . . . . . . A 31 LEU CG . 25835 1 332 . 1 1 31 31 LEU CD1 C 13 23.080 . . . . . . A 31 LEU CD1 . 25835 1 333 . 1 1 31 31 LEU CD2 C 13 24.388 . . . . . . A 31 LEU CD2 . 25835 1 334 . 1 1 32 32 LYS H H 1 7.747 . . . . . . A 32 LYS H . 25835 1 335 . 1 1 32 32 LYS HA H 1 3.905 . . . . . . A 32 LYS HA . 25835 1 336 . 1 1 32 32 LYS HB2 H 1 1.504 . . . . . . A 32 LYS HB2 . 25835 1 337 . 1 1 32 32 LYS HB3 H 1 1.879 . . . . . . A 32 LYS HB3 . 25835 1 338 . 1 1 32 32 LYS HG2 H 1 1.318 . . . . . . A 32 LYS HG2 . 25835 1 339 . 1 1 32 32 LYS HG3 H 1 1.318 . . . . . . A 32 LYS HG3 . 25835 1 340 . 1 1 32 32 LYS HD2 H 1 1.731 . . . . . . A 32 LYS HD2 . 25835 1 341 . 1 1 32 32 LYS HD3 H 1 1.731 . . . . . . A 32 LYS HD3 . 25835 1 342 . 1 1 32 32 LYS HE2 H 1 2.904 . . . . . . A 32 LYS HE2 . 25835 1 343 . 1 1 32 32 LYS HE3 H 1 2.904 . . . . . . A 32 LYS HE3 . 25835 1 344 . 1 1 32 32 LYS CA C 13 58.880 . . . . . . A 32 LYS CA . 25835 1 345 . 1 1 32 32 LYS CB C 13 31.519 . . . . . . A 32 LYS CB . 25835 1 346 . 1 1 32 32 LYS CG C 13 24.135 . . . . . . A 32 LYS CG . 25835 1 347 . 1 1 32 32 LYS CD C 13 28.649 . . . . . . A 32 LYS CD . 25835 1 348 . 1 1 33 33 PHE H H 1 7.981 . . . . . . A 33 PHE H . 25835 1 349 . 1 1 33 33 PHE HA H 1 4.389 . . . . . . A 33 PHE HA . 25835 1 350 . 1 1 33 33 PHE HB2 H 1 3.216 . . . . . . A 33 PHE HB2 . 25835 1 351 . 1 1 33 33 PHE HB3 H 1 3.154 . . . . . . A 33 PHE HB3 . 25835 1 352 . 1 1 33 33 PHE HD1 H 1 7.216 . . . . . . A 33 PHE HD1 . 25835 1 353 . 1 1 33 33 PHE HD2 H 1 7.216 . . . . . . A 33 PHE HD2 . 25835 1 354 . 1 1 33 33 PHE HE1 H 1 7.278 . . . . . . A 33 PHE HE1 . 25835 1 355 . 1 1 33 33 PHE HE2 H 1 7.278 . . . . . . A 33 PHE HE2 . 25835 1 356 . 1 1 33 33 PHE CA C 13 59.657 . . . . . . A 33 PHE CA . 25835 1 357 . 1 1 33 33 PHE CB C 13 38.310 . . . . . . A 33 PHE CB . 25835 1 358 . 1 1 34 34 GLY H H 1 8.838 . . . . . . A 34 GLY H . 25835 1 359 . 1 1 34 34 GLY HA2 H 1 3.593 . . . . . . A 34 GLY HA2 . 25835 1 360 . 1 1 34 34 GLY HA3 H 1 3.593 . . . . . . A 34 GLY HA3 . 25835 1 361 . 1 1 34 34 GLY CA C 13 46.646 . . . . . . A 34 GLY CA . 25835 1 362 . 1 1 35 35 LYS H H 1 8.331 . . . . . . A 35 LYS H . 25835 1 363 . 1 1 35 35 LYS HA H 1 3.861 . . . . . . A 35 LYS HA . 25835 1 364 . 1 1 35 35 LYS HB2 H 1 1.864 . . . . . . A 35 LYS HB2 . 25835 1 365 . 1 1 35 35 LYS HB3 H 1 1.595 . . . . . . A 35 LYS HB3 . 25835 1 366 . 1 1 35 35 LYS HG2 H 1 1.372 . . . . . . A 35 LYS HG2 . 25835 1 367 . 1 1 35 35 LYS HG3 H 1 1.372 . . . . . . A 35 LYS HG3 . 25835 1 368 . 1 1 35 35 LYS HD2 H 1 1.681 . . . . . . A 35 LYS HD2 . 25835 1 369 . 1 1 35 35 LYS HD3 H 1 1.681 . . . . . . A 35 LYS HD3 . 25835 1 370 . 1 1 35 35 LYS HE2 H 1 2.873 . . . . . . A 35 LYS HE2 . 25835 1 371 . 1 1 35 35 LYS HE3 H 1 2.873 . . . . . . A 35 LYS HE3 . 25835 1 372 . 1 1 35 35 LYS CA C 13 59.239 . . . . . . A 35 LYS CA . 25835 1 373 . 1 1 35 35 LYS CB C 13 30.845 . . . . . . A 35 LYS CB . 25835 1 374 . 1 1 35 35 LYS CG C 13 25.053 . . . . . . A 35 LYS CG . 25835 1 375 . 1 1 35 35 LYS CD C 13 28.695 . . . . . . A 35 LYS CD . 25835 1 376 . 1 1 36 36 GLN H H 1 7.578 . . . . . . A 36 GLN H . 25835 1 377 . 1 1 36 36 GLN HA H 1 3.986 . . . . . . A 36 GLN HA . 25835 1 378 . 1 1 36 36 GLN HB2 H 1 2.176 . . . . . . A 36 GLN HB2 . 25835 1 379 . 1 1 36 36 GLN HB3 H 1 2.086 . . . . . . A 36 GLN HB3 . 25835 1 380 . 1 1 36 36 GLN HG2 H 1 2.438 . . . . . . A 36 GLN HG2 . 25835 1 381 . 1 1 36 36 GLN HG3 H 1 2.351 . . . . . . A 36 GLN HG3 . 25835 1 382 . 1 1 36 36 GLN HE21 H 1 6.848 . . . . . . A 36 GLN HE21 . 25835 1 383 . 1 1 36 36 GLN HE22 H 1 7.406 . . . . . . A 36 GLN HE22 . 25835 1 384 . 1 1 36 36 GLN CA C 13 57.558 . . . . . . A 36 GLN CA . 25835 1 385 . 1 1 36 36 GLN CB C 13 27.359 . . . . . . A 36 GLN CB . 25835 1 386 . 1 1 36 36 GLN CG C 13 32.903 . . . . . . A 36 GLN CG . 25835 1 387 . 1 1 37 37 LEU H H 1 7.993 . . . . . . A 37 LEU H . 25835 1 388 . 1 1 37 37 LEU HA H 1 3.892 . . . . . . A 37 LEU HA . 25835 1 389 . 1 1 37 37 LEU HB2 H 1 1.550 . . . . . . A 37 LEU HB2 . 25835 1 390 . 1 1 37 37 LEU HB3 H 1 1.550 . . . . . . A 37 LEU HB3 . 25835 1 391 . 1 1 37 37 LEU HG H 1 1.580 . . . . . . A 37 LEU HG . 25835 1 392 . 1 1 37 37 LEU HD11 H 1 0.793 . . . . . . A 37 LEU HD11 . 25835 1 393 . 1 1 37 37 LEU HD12 H 1 0.793 . . . . . . A 37 LEU HD12 . 25835 1 394 . 1 1 37 37 LEU HD13 H 1 0.793 . . . . . . A 37 LEU HD13 . 25835 1 395 . 1 1 37 37 LEU HD21 H 1 0.816 . . . . . . A 37 LEU HD21 . 25835 1 396 . 1 1 37 37 LEU HD22 H 1 0.816 . . . . . . A 37 LEU HD22 . 25835 1 397 . 1 1 37 37 LEU HD23 H 1 0.816 . . . . . . A 37 LEU HD23 . 25835 1 398 . 1 1 37 37 LEU CA C 13 57.057 . . . . . . A 37 LEU CA . 25835 1 399 . 1 1 37 37 LEU CB C 13 40.606 . . . . . . A 37 LEU CB . 25835 1 400 . 1 1 37 37 LEU CG C 13 24.568 . . . . . . A 37 LEU CG . 25835 1 401 . 1 1 37 37 LEU CD1 C 13 23.192 . . . . . . A 37 LEU CD1 . 25835 1 402 . 1 1 37 37 LEU CD2 C 13 23.964 . . . . . . A 37 LEU CD2 . 25835 1 403 . 1 1 38 38 ALA H H 1 7.994 . . . . . . A 38 ALA H . 25835 1 404 . 1 1 38 38 ALA HA H 1 3.948 . . . . . . A 38 ALA HA . 25835 1 405 . 1 1 38 38 ALA HB1 H 1 1.429 . . . . . . A 38 ALA HB1 . 25835 1 406 . 1 1 38 38 ALA HB2 H 1 1.429 . . . . . . A 38 ALA HB2 . 25835 1 407 . 1 1 38 38 ALA HB3 H 1 1.429 . . . . . . A 38 ALA HB3 . 25835 1 408 . 1 1 38 38 ALA CA C 13 53.266 . . . . . . A 38 ALA CA . 25835 1 409 . 1 1 38 38 ALA CB C 13 17.604 . . . . . . A 38 ALA CB . 25835 1 410 . 1 1 39 39 LYS H H 1 7.355 . . . . . . A 39 LYS H . 25835 1 411 . 1 1 39 39 LYS HA H 1 4.044 . . . . . . A 39 LYS HA . 25835 1 412 . 1 1 39 39 LYS HB2 H 1 1.871 . . . . . . A 39 LYS HB2 . 25835 1 413 . 1 1 39 39 LYS HB3 H 1 1.871 . . . . . . A 39 LYS HB3 . 25835 1 414 . 1 1 39 39 LYS HG2 H 1 1.512 . . . . . . A 39 LYS HG2 . 25835 1 415 . 1 1 39 39 LYS HG3 H 1 1.512 . . . . . . A 39 LYS HG3 . 25835 1 416 . 1 1 39 39 LYS HD2 H 1 1.670 . . . . . . A 39 LYS HD2 . 25835 1 417 . 1 1 39 39 LYS HD3 H 1 1.670 . . . . . . A 39 LYS HD3 . 25835 1 418 . 1 1 39 39 LYS CA C 13 57.467 . . . . . . A 39 LYS CA . 25835 1 419 . 1 1 39 39 LYS CB C 13 32.274 . . . . . . A 39 LYS CB . 25835 1 420 . 1 1 39 39 LYS CG C 13 23.750 . . . . . . A 39 LYS CG . 25835 1 421 . 1 1 39 39 LYS CD C 13 28.297 . . . . . . A 39 LYS CD . 25835 1 422 . 1 1 40 40 ASN H H 1 7.816 . . . . . . A 40 ASN H . 25835 1 423 . 1 1 40 40 ASN HA H 1 4.746 . . . . . . A 40 ASN HA . 25835 1 424 . 1 1 40 40 ASN HB2 H 1 2.890 . . . . . . A 40 ASN HB2 . 25835 1 425 . 1 1 40 40 ASN HB3 H 1 2.633 . . . . . . A 40 ASN HB3 . 25835 1 426 . 1 1 40 40 ASN HD21 H 1 7.075 . . . . . . A 40 ASN HD21 . 25835 1 427 . 1 1 40 40 ASN HD22 H 1 7.582 . . . . . . A 40 ASN HD22 . 25835 1 428 . 1 1 40 40 ASN CB C 13 39.205 . . . . . . A 40 ASN CB . 25835 1 429 . 1 1 41 41 LEU H H 1 7.472 . . . . . . A 41 LEU H . 25835 1 430 . 1 1 41 41 LEU HA H 1 4.279 . . . . . . A 41 LEU HA . 25835 1 431 . 1 1 41 41 LEU HB2 H 1 1.799 . . . . . . A 41 LEU HB2 . 25835 1 432 . 1 1 41 41 LEU HB3 H 1 1.580 . . . . . . A 41 LEU HB3 . 25835 1 433 . 1 1 41 41 LEU HG H 1 1.816 . . . . . . A 41 LEU HG . 25835 1 434 . 1 1 41 41 LEU HD11 H 1 0.852 . . . . . . A 41 LEU HD11 . 25835 1 435 . 1 1 41 41 LEU HD12 H 1 0.852 . . . . . . A 41 LEU HD12 . 25835 1 436 . 1 1 41 41 LEU HD13 H 1 0.852 . . . . . . A 41 LEU HD13 . 25835 1 437 . 1 1 41 41 LEU HD21 H 1 0.894 . . . . . . A 41 LEU HD21 . 25835 1 438 . 1 1 41 41 LEU HD22 H 1 0.894 . . . . . . A 41 LEU HD22 . 25835 1 439 . 1 1 41 41 LEU HD23 H 1 0.894 . . . . . . A 41 LEU HD23 . 25835 1 440 . 1 1 41 41 LEU CA C 13 53.251 . . . . . . A 41 LEU CA . 25835 1 441 . 1 1 41 41 LEU CB C 13 41.284 . . . . . . A 41 LEU CB . 25835 1 442 . 1 1 41 41 LEU CG C 13 26.001 . . . . . . A 41 LEU CG . 25835 1 443 . 1 1 41 41 LEU CD1 C 13 22.559 . . . . . . A 41 LEU CD1 . 25835 1 444 . 1 1 41 41 LEU CD2 C 13 24.799 . . . . . . A 41 LEU CD2 . 25835 1 stop_ save_