data_34837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34837 _Entry.Title ; Solution structure of the peptide U11-MYRTX-Tb1a from the venom of the ant Tetramorium bicarinatum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-21 _Entry.Accession_date 2023-07-21 _Entry.Last_release_date 2023-11-08 _Entry.Original_release_date 2023-11-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Jouvensal L. . . . 34837 2 F. Paquet F. . . . 34837 3 K. Loth K. . . . 34837 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TOXIN . 34837 Tetramorium . 34837 'ant venom peptide' . 34837 'helix peptide' . 34837 neurotoxin . 34837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 129 34837 '15N chemical shifts' 33 34837 '1H chemical shifts' 260 34837 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 . . 2023-11-11 . original BMRB . 34837 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8PWT 'BMRB Entry Tracking System' 34837 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34837 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37888631 _Citation.DOI 10.3390/toxins15100600 _Citation.Full_citation . _Citation.Title ; Discovery of an Insect Neuroactive Helix Ring Peptide from Ant Venom. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Toxins _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2072-6651 _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 600 _Citation.Page_last 600 _Citation.Year 2023 _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 V. Barasse V. . . . 34837 1 2 L. Jouvensal L. . . . 34837 1 3 G. Boy G. . . . 34837 1 4 A. Billet A. . . . 34837 1 5 S. Ascoet S. . . . 34837 1 6 B. Lefranc B. . . . 34837 1 7 J. Leprince J. . . . 34837 1 8 A. Dejean A. . . . 34837 1 9 V. Lacotte V. . . . 34837 1 10 I. Rahioui I. . . . 34837 1 11 C. Sivignon C. . . . 34837 1 12 K. Gaget K. . . . 34837 1 13 M. 'Ribeiro Lopes' M. . . . 34837 1 14 F. Calevro F. . . . 34837 1 15 P. 'Da Silva' P. . . . 34837 1 16 K. Loth K. . . . 34837 1 17 F. Paquet F. . . . 34837 1 18 M. Treilhou M. . . . 34837 1 19 E. Bonnafe E. . . . 34837 1 20 A. Touchard A. . . . 34837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34837 _Assembly.ID 1 _Assembly.Name U11-myrmicitoxin-Tb1a _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKEKEKLKQCFKDMTLAAID YAKHKVEKHLFKCI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4033.885 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID U11-MYRTX-Tb1a common 34837 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 . GLY . 34837 1 2 . LYS . 34837 1 3 . GLU . 34837 1 4 . LYS . 34837 1 5 . GLU . 34837 1 6 . LYS . 34837 1 7 . LEU . 34837 1 8 . LYS . 34837 1 9 . GLN . 34837 1 10 . CYS . 34837 1 11 . PHE . 34837 1 12 . LYS . 34837 1 13 . ASP . 34837 1 14 . MET . 34837 1 15 . THR . 34837 1 16 . LEU . 34837 1 17 . ALA . 34837 1 18 . ALA . 34837 1 19 . ILE . 34837 1 20 . ASP . 34837 1 21 . TYR . 34837 1 22 . ALA . 34837 1 23 . LYS . 34837 1 24 . HIS . 34837 1 25 . LYS . 34837 1 26 . VAL . 34837 1 27 . GLU . 34837 1 28 . LYS . 34837 1 29 . HIS . 34837 1 30 . LEU . 34837 1 31 . PHE . 34837 1 32 . LYS . 34837 1 33 . CYS . 34837 1 34 . ILE . 34837 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34837 1 . LYS 2 2 34837 1 . GLU 3 3 34837 1 . LYS 4 4 34837 1 . GLU 5 5 34837 1 . LYS 6 6 34837 1 . LEU 7 7 34837 1 . LYS 8 8 34837 1 . GLN 9 9 34837 1 . CYS 10 10 34837 1 . PHE 11 11 34837 1 . LYS 12 12 34837 1 . ASP 13 13 34837 1 . MET 14 14 34837 1 . THR 15 15 34837 1 . LEU 16 16 34837 1 . ALA 17 17 34837 1 . ALA 18 18 34837 1 . ILE 19 19 34837 1 . ASP 20 20 34837 1 . TYR 21 21 34837 1 . ALA 22 22 34837 1 . LYS 23 23 34837 1 . HIS 24 24 34837 1 . LYS 25 25 34837 1 . VAL 26 26 34837 1 . GLU 27 27 34837 1 . LYS 28 28 34837 1 . HIS 29 29 34837 1 . LEU 30 30 34837 1 . PHE 31 31 34837 1 . LYS 32 32 34837 1 . CYS 33 33 34837 1 . ILE 34 34 34837 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 34837 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 219812 organism . 'Tetramorium bicarinatum' ants . . Eukaryota Metazoa Tetramorium bicarinatum . . . . . . . . . . . . . 34837 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 34837 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34837 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.9 mM U11, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 U11 'natural abundance' . . 1 $entity_1 . . 1.9 . . mM . . . . 34837 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 34837 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . 'Not defined' 34837 1 pH 5.1 . pH 34837 1 pressure 1 . atm 34837 1 temperature 298 . K 34837 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34837 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34837 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34837 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34837 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34837 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34837 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34837 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34837 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34837 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34837 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 700 . . . 34837 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 34837 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34837 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34837 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34837 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34837 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34837 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34837 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34837 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34837 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34837 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 34837 1 2 '2D 1H-1H NOESY' . . . 34837 1 3 '2D 1H-15N HSQC' . . . 34837 1 4 '2D 1H-13C HSQC' . . . 34837 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.886 . . . . . . . A 1 GLY HA2 . 34837 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.886 . . . . . . . A 1 GLY HA3 . 34837 1 3 . 1 . 1 1 1 GLY CA C 13 43.460 . . . . . . . A 1 GLY CA . 34837 1 4 . 1 . 1 2 2 LYS HA H 1 4.307 . . . . . . . A 2 LYS HA . 34837 1 5 . 1 . 1 2 2 LYS HB2 H 1 1.756 . . . . . . . A 2 LYS HB2 . 34837 1 6 . 1 . 1 2 2 LYS HB3 H 1 1.849 . . . . . . . A 2 LYS HB3 . 34837 1 7 . 1 . 1 2 2 LYS HG2 H 1 1.442 . . . . . . . A 2 LYS HG2 . 34837 1 8 . 1 . 1 2 2 LYS HG3 H 1 1.443 . . . . . . . A 2 LYS HG3 . 34837 1 9 . 1 . 1 2 2 LYS CA C 13 56.810 . . . . . . . A 2 LYS CA . 34837 1 10 . 1 . 1 2 2 LYS CB C 13 32.892 . . . . . . . A 2 LYS CB . 34837 1 11 . 1 . 1 2 2 LYS CG C 13 24.840 . . . . . . . A 2 LYS CG . 34837 1 12 . 1 . 1 3 3 GLU H H 1 8.767 . . . . . . . A 3 GLU H . 34837 1 13 . 1 . 1 3 3 GLU HA H 1 4.240 . . . . . . . A 3 GLU HA . 34837 1 14 . 1 . 1 3 3 GLU HB2 H 1 1.963 . . . . . . . A 3 GLU HB2 . 34837 1 15 . 1 . 1 3 3 GLU HB3 H 1 2.052 . . . . . . . A 3 GLU HB3 . 34837 1 16 . 1 . 1 3 3 GLU HG2 H 1 2.302 . . . . . . . A 3 GLU HG2 . 34837 1 17 . 1 . 1 3 3 GLU HG3 H 1 2.301 . . . . . . . A 3 GLU HG3 . 34837 1 18 . 1 . 1 3 3 GLU CA C 13 57.368 . . . . . . . A 3 GLU CA . 34837 1 19 . 1 . 1 3 3 GLU CB C 13 29.764 . . . . . . . A 3 GLU CB . 34837 1 20 . 1 . 1 3 3 GLU CG C 13 36.091 . . . . . . . A 3 GLU CG . 34837 1 21 . 1 . 1 3 3 GLU N N 15 122.422 . . . . . . . A 3 GLU N . 34837 1 22 . 1 . 1 4 4 LYS H H 1 8.387 . . . . . . . A 4 LYS H . 34837 1 23 . 1 . 1 4 4 LYS HA H 1 4.223 . . . . . . . A 4 LYS HA . 34837 1 24 . 1 . 1 4 4 LYS HB2 H 1 1.843 . . . . . . . A 4 LYS HB2 . 34837 1 25 . 1 . 1 4 4 LYS HB3 H 1 1.783 . . . . . . . A 4 LYS HB3 . 34837 1 26 . 1 . 1 4 4 LYS HG2 H 1 1.464 . . . . . . . A 4 LYS HG2 . 34837 1 27 . 1 . 1 4 4 LYS HG3 H 1 1.462 . . . . . . . A 4 LYS HG3 . 34837 1 28 . 1 . 1 4 4 LYS HD2 H 1 1.691 . . . . . . . A 4 LYS HD2 . 34837 1 29 . 1 . 1 4 4 LYS HD3 H 1 1.690 . . . . . . . A 4 LYS HD3 . 34837 1 30 . 1 . 1 4 4 LYS HE2 H 1 3.003 . . . . . . . A 4 LYS HE2 . 34837 1 31 . 1 . 1 4 4 LYS HE3 H 1 3.003 . . . . . . . A 4 LYS HE3 . 34837 1 32 . 1 . 1 4 4 LYS CA C 13 56.913 . . . . . . . A 4 LYS CA . 34837 1 33 . 1 . 1 4 4 LYS CB C 13 32.879 . . . . . . . A 4 LYS CB . 34837 1 34 . 1 . 1 4 4 LYS CG C 13 25.127 . . . . . . . A 4 LYS CG . 34837 1 35 . 1 . 1 4 4 LYS CD C 13 29.293 . . . . . . . A 4 LYS CD . 34837 1 36 . 1 . 1 4 4 LYS CE C 13 42.179 . . . . . . . A 4 LYS CE . 34837 1 37 . 1 . 1 4 4 LYS N N 15 122.086 . . . . . . . A 4 LYS N . 34837 1 38 . 1 . 1 5 5 GLU H H 1 8.322 . . . . . . . A 5 GLU H . 34837 1 39 . 1 . 1 5 5 GLU HA H 1 4.194 . . . . . . . A 5 GLU HA . 34837 1 40 . 1 . 1 5 5 GLU HB2 H 1 2.021 . . . . . . . A 5 GLU HB2 . 34837 1 41 . 1 . 1 5 5 GLU HB3 H 1 1.955 . . . . . . . A 5 GLU HB3 . 34837 1 42 . 1 . 1 5 5 GLU HG2 H 1 2.270 . . . . . . . A 5 GLU HG2 . 34837 1 43 . 1 . 1 5 5 GLU HG3 H 1 2.270 . . . . . . . A 5 GLU HG3 . 34837 1 44 . 1 . 1 5 5 GLU CA C 13 56.965 . . . . . . . A 5 GLU CA . 34837 1 45 . 1 . 1 5 5 GLU CB C 13 30.204 . . . . . . . A 5 GLU CB . 34837 1 46 . 1 . 1 5 5 GLU CG C 13 36.235 . . . . . . . A 5 GLU CG . 34837 1 47 . 1 . 1 5 5 GLU N N 15 121.861 . . . . . . . A 5 GLU N . 34837 1 48 . 1 . 1 6 6 LYS H H 1 8.298 . . . . . . . A 6 LYS H . 34837 1 49 . 1 . 1 6 6 LYS HA H 1 4.253 . . . . . . . A 6 LYS HA . 34837 1 50 . 1 . 1 6 6 LYS HB2 H 1 1.758 . . . . . . . A 6 LYS HB2 . 34837 1 51 . 1 . 1 6 6 LYS HB3 H 1 1.808 . . . . . . . A 6 LYS HB3 . 34837 1 52 . 1 . 1 6 6 LYS HG2 H 1 1.458 . . . . . . . A 6 LYS HG2 . 34837 1 53 . 1 . 1 6 6 LYS HG3 H 1 1.388 . . . . . . . A 6 LYS HG3 . 34837 1 54 . 1 . 1 6 6 LYS HD2 H 1 1.675 . . . . . . . A 6 LYS HD2 . 34837 1 55 . 1 . 1 6 6 LYS HD3 H 1 1.675 . . . . . . . A 6 LYS HD3 . 34837 1 56 . 1 . 1 6 6 LYS HE2 H 1 2.981 . . . . . . . A 6 LYS HE2 . 34837 1 57 . 1 . 1 6 6 LYS HE3 H 1 2.982 . . . . . . . A 6 LYS HE3 . 34837 1 58 . 1 . 1 6 6 LYS CA C 13 56.703 . . . . . . . A 6 LYS CA . 34837 1 59 . 1 . 1 6 6 LYS CB C 13 33.025 . . . . . . . A 6 LYS CB . 34837 1 60 . 1 . 1 6 6 LYS CG C 13 24.928 . . . . . . . A 6 LYS CG . 34837 1 61 . 1 . 1 6 6 LYS CD C 13 29.157 . . . . . . . A 6 LYS CD . 34837 1 62 . 1 . 1 6 6 LYS CE C 13 42.157 . . . . . . . A 6 LYS CE . 34837 1 63 . 1 . 1 6 6 LYS N N 15 122.590 . . . . . . . A 6 LYS N . 34837 1 64 . 1 . 1 7 7 LEU H H 1 8.137 . . . . . . . A 7 LEU H . 34837 1 65 . 1 . 1 7 7 LEU HA H 1 4.308 . . . . . . . A 7 LEU HA . 34837 1 66 . 1 . 1 7 7 LEU HB2 H 1 1.652 . . . . . . . A 7 LEU HB2 . 34837 1 67 . 1 . 1 7 7 LEU HB3 H 1 1.544 . . . . . . . A 7 LEU HB3 . 34837 1 68 . 1 . 1 7 7 LEU HG H 1 1.627 . . . . . . . A 7 LEU HG . 34837 1 69 . 1 . 1 7 7 LEU HD11 H 1 0.895 . . . . . . . A 7 LEU HD11 . 34837 1 70 . 1 . 1 7 7 LEU HD12 H 1 0.895 . . . . . . . A 7 LEU HD12 . 34837 1 71 . 1 . 1 7 7 LEU HD13 H 1 0.895 . . . . . . . A 7 LEU HD13 . 34837 1 72 . 1 . 1 7 7 LEU HD21 H 1 0.841 . . . . . . . A 7 LEU HD21 . 34837 1 73 . 1 . 1 7 7 LEU HD22 H 1 0.841 . . . . . . . A 7 LEU HD22 . 34837 1 74 . 1 . 1 7 7 LEU HD23 H 1 0.841 . . . . . . . A 7 LEU HD23 . 34837 1 75 . 1 . 1 7 7 LEU CA C 13 55.450 . . . . . . . A 7 LEU CA . 34837 1 76 . 1 . 1 7 7 LEU CB C 13 42.407 . . . . . . . A 7 LEU CB . 34837 1 77 . 1 . 1 7 7 LEU CG C 13 27.152 . . . . . . . A 7 LEU CG . 34837 1 78 . 1 . 1 7 7 LEU CD1 C 13 24.839 . . . . . . . A 7 LEU CD1 . 34837 1 79 . 1 . 1 7 7 LEU CD2 C 13 23.632 . . . . . . . A 7 LEU CD2 . 34837 1 80 . 1 . 1 7 7 LEU N N 15 123.027 . . . . . . . A 7 LEU N . 34837 1 81 . 1 . 1 8 8 LYS H H 1 8.259 . . . . . . . A 8 LYS H . 34837 1 82 . 1 . 1 8 8 LYS HA H 1 4.272 . . . . . . . A 8 LYS HA . 34837 1 83 . 1 . 1 8 8 LYS HB2 H 1 1.742 . . . . . . . A 8 LYS HB2 . 34837 1 84 . 1 . 1 8 8 LYS HB3 H 1 1.789 . . . . . . . A 8 LYS HB3 . 34837 1 85 . 1 . 1 8 8 LYS HG2 H 1 1.367 . . . . . . . A 8 LYS HG2 . 34837 1 86 . 1 . 1 8 8 LYS HG3 H 1 1.452 . . . . . . . A 8 LYS HG3 . 34837 1 87 . 1 . 1 8 8 LYS HD2 H 1 1.646 . . . . . . . A 8 LYS HD2 . 34837 1 88 . 1 . 1 8 8 LYS HD3 H 1 1.646 . . . . . . . A 8 LYS HD3 . 34837 1 89 . 1 . 1 8 8 LYS HE2 H 1 2.952 . . . . . . . A 8 LYS HE2 . 34837 1 90 . 1 . 1 8 8 LYS HE3 H 1 2.952 . . . . . . . A 8 LYS HE3 . 34837 1 91 . 1 . 1 8 8 LYS CA C 13 56.571 . . . . . . . A 8 LYS CA . 34837 1 92 . 1 . 1 8 8 LYS CB C 13 32.952 . . . . . . . A 8 LYS CB . 34837 1 93 . 1 . 1 8 8 LYS CG C 13 24.693 . . . . . . . A 8 LYS CG . 34837 1 94 . 1 . 1 8 8 LYS CD C 13 29.177 . . . . . . . A 8 LYS CD . 34837 1 95 . 1 . 1 8 8 LYS CE C 13 42.197 . . . . . . . A 8 LYS CE . 34837 1 96 . 1 . 1 8 8 LYS N N 15 122.004 . . . . . . . A 8 LYS N . 34837 1 97 . 1 . 1 9 9 GLN H H 1 8.365 . . . . . . . A 9 GLN H . 34837 1 98 . 1 . 1 9 9 GLN HA H 1 4.334 . . . . . . . A 9 GLN HA . 34837 1 99 . 1 . 1 9 9 GLN HB2 H 1 1.953 . . . . . . . A 9 GLN HB2 . 34837 1 100 . 1 . 1 9 9 GLN HB3 H 1 1.989 . . . . . . . A 9 GLN HB3 . 34837 1 101 . 1 . 1 9 9 GLN HG2 H 1 2.278 . . . . . . . A 9 GLN HG2 . 34837 1 102 . 1 . 1 9 9 GLN HG3 H 1 2.278 . . . . . . . A 9 GLN HG3 . 34837 1 103 . 1 . 1 9 9 GLN HE21 H 1 7.549 . . . . . . . A 9 GLN HE21 . 34837 1 104 . 1 . 1 9 9 GLN HE22 H 1 6.863 . . . . . . . A 9 GLN HE22 . 34837 1 105 . 1 . 1 9 9 GLN CA C 13 56.047 . . . . . . . A 9 GLN CA . 34837 1 106 . 1 . 1 9 9 GLN CB C 13 29.600 . . . . . . . A 9 GLN CB . 34837 1 107 . 1 . 1 9 9 GLN CG C 13 33.890 . . . . . . . A 9 GLN CG . 34837 1 108 . 1 . 1 9 9 GLN N N 15 121.147 . . . . . . . A 9 GLN N . 34837 1 109 . 1 . 1 9 9 GLN NE2 N 15 112.615 . . . . . . . A 9 GLN NE2 . 34837 1 110 . 1 . 1 10 10 CYS H H 1 8.425 . . . . . . . A 10 CYS H . 34837 1 111 . 1 . 1 10 10 CYS HA H 1 4.715 . . . . . . . A 10 CYS HA . 34837 1 112 . 1 . 1 10 10 CYS HB2 H 1 2.946 . . . . . . . A 10 CYS HB2 . 34837 1 113 . 1 . 1 10 10 CYS HB3 H 1 3.011 . . . . . . . A 10 CYS HB3 . 34837 1 114 . 1 . 1 10 10 CYS CA C 13 56.203 . . . . . . . A 10 CYS CA . 34837 1 115 . 1 . 1 10 10 CYS N N 15 120.173 . . . . . . . A 10 CYS N . 34837 1 116 . 1 . 1 11 11 PHE H H 1 8.411 . . . . . . . A 11 PHE H . 34837 1 117 . 1 . 1 11 11 PHE HA H 1 4.671 . . . . . . . A 11 PHE HA . 34837 1 118 . 1 . 1 11 11 PHE HB2 H 1 2.987 . . . . . . . A 11 PHE HB2 . 34837 1 119 . 1 . 1 11 11 PHE HB3 H 1 3.149 . . . . . . . A 11 PHE HB3 . 34837 1 120 . 1 . 1 11 11 PHE HD1 H 1 7.214 . . . . . . . A 11 PHE HD1 . 34837 1 121 . 1 . 1 11 11 PHE HD2 H 1 7.214 . . . . . . . A 11 PHE HD2 . 34837 1 122 . 1 . 1 11 11 PHE HE1 H 1 7.283 . . . . . . . A 11 PHE HE1 . 34837 1 123 . 1 . 1 11 11 PHE HE2 H 1 7.283 . . . . . . . A 11 PHE HE2 . 34837 1 124 . 1 . 1 11 11 PHE CA C 13 57.953 . . . . . . . A 11 PHE CA . 34837 1 125 . 1 . 1 11 11 PHE CB C 13 39.938 . . . . . . . A 11 PHE CB . 34837 1 126 . 1 . 1 11 11 PHE CD1 C 13 131.991 . . . . . . . A 11 PHE CD1 . 34837 1 127 . 1 . 1 11 11 PHE CD2 C 13 131.991 . . . . . . . A 11 PHE CD2 . 34837 1 128 . 1 . 1 11 11 PHE CE1 C 13 131.413 . . . . . . . A 11 PHE CE1 . 34837 1 129 . 1 . 1 11 11 PHE CE2 C 13 131.413 . . . . . . . A 11 PHE CE2 . 34837 1 130 . 1 . 1 11 11 PHE N N 15 121.232 . . . . . . . A 11 PHE N . 34837 1 131 . 1 . 1 12 12 LYS H H 1 8.271 . . . . . . . A 12 LYS H . 34837 1 132 . 1 . 1 12 12 LYS HA H 1 4.174 . . . . . . . A 12 LYS HA . 34837 1 133 . 1 . 1 12 12 LYS HB2 H 1 1.756 . . . . . . . A 12 LYS HB2 . 34837 1 134 . 1 . 1 12 12 LYS HB3 H 1 1.703 . . . . . . . A 12 LYS HB3 . 34837 1 135 . 1 . 1 12 12 LYS HG2 H 1 1.299 . . . . . . . A 12 LYS HG2 . 34837 1 136 . 1 . 1 12 12 LYS HG3 H 1 1.345 . . . . . . . A 12 LYS HG3 . 34837 1 137 . 1 . 1 12 12 LYS HD2 H 1 1.611 . . . . . . . A 12 LYS HD2 . 34837 1 138 . 1 . 1 12 12 LYS HD3 H 1 1.611 . . . . . . . A 12 LYS HD3 . 34837 1 139 . 1 . 1 12 12 LYS HE2 H 1 2.932 . . . . . . . A 12 LYS HE2 . 34837 1 140 . 1 . 1 12 12 LYS HE3 H 1 2.933 . . . . . . . A 12 LYS HE3 . 34837 1 141 . 1 . 1 12 12 LYS CA C 13 57.062 . . . . . . . A 12 LYS CA . 34837 1 142 . 1 . 1 12 12 LYS CB C 13 33.092 . . . . . . . A 12 LYS CB . 34837 1 143 . 1 . 1 12 12 LYS CG C 13 24.794 . . . . . . . A 12 LYS CG . 34837 1 144 . 1 . 1 12 12 LYS CD C 13 29.188 . . . . . . . A 12 LYS CD . 34837 1 145 . 1 . 1 12 12 LYS CE C 13 42.144 . . . . . . . A 12 LYS CE . 34837 1 146 . 1 . 1 12 12 LYS N N 15 122.586 . . . . . . . A 12 LYS N . 34837 1 147 . 1 . 1 13 13 ASP H H 1 8.275 . . . . . . . A 13 ASP H . 34837 1 148 . 1 . 1 13 13 ASP HA H 1 4.560 . . . . . . . A 13 ASP HA . 34837 1 149 . 1 . 1 13 13 ASP HB2 H 1 2.755 . . . . . . . A 13 ASP HB2 . 34837 1 150 . 1 . 1 13 13 ASP HB3 H 1 2.613 . . . . . . . A 13 ASP HB3 . 34837 1 151 . 1 . 1 13 13 ASP CA C 13 54.711 . . . . . . . A 13 ASP CA . 34837 1 152 . 1 . 1 13 13 ASP CB C 13 41.141 . . . . . . . A 13 ASP CB . 34837 1 153 . 1 . 1 13 13 ASP N N 15 121.196 . . . . . . . A 13 ASP N . 34837 1 154 . 1 . 1 14 14 MET H H 1 8.427 . . . . . . . A 14 MET H . 34837 1 155 . 1 . 1 14 14 MET HA H 1 4.431 . . . . . . . A 14 MET HA . 34837 1 156 . 1 . 1 14 14 MET HB2 H 1 2.139 . . . . . . . A 14 MET HB2 . 34837 1 157 . 1 . 1 14 14 MET HB3 H 1 2.008 . . . . . . . A 14 MET HB3 . 34837 1 158 . 1 . 1 14 14 MET HG2 H 1 2.609 . . . . . . . A 14 MET HG2 . 34837 1 159 . 1 . 1 14 14 MET HG3 H 1 2.491 . . . . . . . A 14 MET HG3 . 34837 1 160 . 1 . 1 14 14 MET HE1 H 1 2.029 . . . . . . . A 14 MET HE1 . 34837 1 161 . 1 . 1 14 14 MET HE2 H 1 2.029 . . . . . . . A 14 MET HE2 . 34837 1 162 . 1 . 1 14 14 MET HE3 H 1 2.029 . . . . . . . A 14 MET HE3 . 34837 1 163 . 1 . 1 14 14 MET CA C 13 56.097 . . . . . . . A 14 MET CA . 34837 1 164 . 1 . 1 14 14 MET CB C 13 32.529 . . . . . . . A 14 MET CB . 34837 1 165 . 1 . 1 14 14 MET CG C 13 32.114 . . . . . . . A 14 MET CG . 34837 1 166 . 1 . 1 14 14 MET CE C 13 16.889 . . . . . . . A 14 MET CE . 34837 1 167 . 1 . 1 14 14 MET N N 15 121.604 . . . . . . . A 14 MET N . 34837 1 168 . 1 . 1 15 15 THR H H 1 8.254 . . . . . . . A 15 THR H . 34837 1 169 . 1 . 1 15 15 THR HA H 1 4.233 . . . . . . . A 15 THR HA . 34837 1 170 . 1 . 1 15 15 THR HB H 1 4.232 . . . . . . . A 15 THR HB . 34837 1 171 . 1 . 1 15 15 THR HG21 H 1 1.215 . . . . . . . A 15 THR HG21 . 34837 1 172 . 1 . 1 15 15 THR HG22 H 1 1.215 . . . . . . . A 15 THR HG22 . 34837 1 173 . 1 . 1 15 15 THR HG23 H 1 1.215 . . . . . . . A 15 THR HG23 . 34837 1 174 . 1 . 1 15 15 THR CA C 13 63.336 . . . . . . . A 15 THR CA . 34837 1 175 . 1 . 1 15 15 THR CB C 13 69.611 . . . . . . . A 15 THR CB . 34837 1 176 . 1 . 1 15 15 THR CG2 C 13 21.731 . . . . . . . A 15 THR CG2 . 34837 1 177 . 1 . 1 15 15 THR N N 15 115.218 . . . . . . . A 15 THR N . 34837 1 178 . 1 . 1 16 16 LEU H H 1 8.022 . . . . . . . A 16 LEU H . 34837 1 179 . 1 . 1 16 16 LEU HA H 1 4.247 . . . . . . . A 16 LEU HA . 34837 1 180 . 1 . 1 16 16 LEU HB2 H 1 1.551 . . . . . . . A 16 LEU HB2 . 34837 1 181 . 1 . 1 16 16 LEU HB3 H 1 1.642 . . . . . . . A 16 LEU HB3 . 34837 1 182 . 1 . 1 16 16 LEU HG H 1 1.630 . . . . . . . A 16 LEU HG . 34837 1 183 . 1 . 1 16 16 LEU HD11 H 1 0.887 . . . . . . . A 16 LEU HD11 . 34837 1 184 . 1 . 1 16 16 LEU HD12 H 1 0.887 . . . . . . . A 16 LEU HD12 . 34837 1 185 . 1 . 1 16 16 LEU HD13 H 1 0.887 . . . . . . . A 16 LEU HD13 . 34837 1 186 . 1 . 1 16 16 LEU HD21 H 1 0.818 . . . . . . . A 16 LEU HD21 . 34837 1 187 . 1 . 1 16 16 LEU HD22 H 1 0.818 . . . . . . . A 16 LEU HD22 . 34837 1 188 . 1 . 1 16 16 LEU HD23 H 1 0.818 . . . . . . . A 16 LEU HD23 . 34837 1 189 . 1 . 1 16 16 LEU CA C 13 55.778 . . . . . . . A 16 LEU CA . 34837 1 190 . 1 . 1 16 16 LEU CB C 13 42.146 . . . . . . . A 16 LEU CB . 34837 1 191 . 1 . 1 16 16 LEU CG C 13 27.005 . . . . . . . A 16 LEU CG . 34837 1 192 . 1 . 1 16 16 LEU CD1 C 13 25.187 . . . . . . . A 16 LEU CD1 . 34837 1 193 . 1 . 1 16 16 LEU CD2 C 13 23.438 . . . . . . . A 16 LEU CD2 . 34837 1 194 . 1 . 1 16 16 LEU N N 15 123.195 . . . . . . . A 16 LEU N . 34837 1 195 . 1 . 1 17 17 ALA H H 1 8.135 . . . . . . . A 17 ALA H . 34837 1 196 . 1 . 1 17 17 ALA HA H 1 4.224 . . . . . . . A 17 ALA HA . 34837 1 197 . 1 . 1 17 17 ALA HB1 H 1 1.366 . . . . . . . A 17 ALA HB1 . 34837 1 198 . 1 . 1 17 17 ALA HB2 H 1 1.366 . . . . . . . A 17 ALA HB2 . 34837 1 199 . 1 . 1 17 17 ALA HB3 H 1 1.366 . . . . . . . A 17 ALA HB3 . 34837 1 200 . 1 . 1 17 17 ALA CA C 13 52.939 . . . . . . . A 17 ALA CA . 34837 1 201 . 1 . 1 17 17 ALA CB C 13 19.177 . . . . . . . A 17 ALA CB . 34837 1 202 . 1 . 1 17 17 ALA N N 15 123.482 . . . . . . . A 17 ALA N . 34837 1 203 . 1 . 1 18 18 ALA H H 1 8.032 . . . . . . . A 18 ALA H . 34837 1 204 . 1 . 1 18 18 ALA HA H 1 4.212 . . . . . . . A 18 ALA HA . 34837 1 205 . 1 . 1 18 18 ALA HB1 H 1 1.408 . . . . . . . A 18 ALA HB1 . 34837 1 206 . 1 . 1 18 18 ALA HB2 H 1 1.408 . . . . . . . A 18 ALA HB2 . 34837 1 207 . 1 . 1 18 18 ALA HB3 H 1 1.408 . . . . . . . A 18 ALA HB3 . 34837 1 208 . 1 . 1 18 18 ALA CA C 13 53.218 . . . . . . . A 18 ALA CA . 34837 1 209 . 1 . 1 18 18 ALA CB C 13 18.920 . . . . . . . A 18 ALA CB . 34837 1 210 . 1 . 1 18 18 ALA N N 15 122.413 . . . . . . . A 18 ALA N . 34837 1 211 . 1 . 1 19 19 ILE H H 1 7.918 . . . . . . . A 19 ILE H . 34837 1 212 . 1 . 1 19 19 ILE HA H 1 3.986 . . . . . . . A 19 ILE HA . 34837 1 213 . 1 . 1 19 19 ILE HB H 1 1.778 . . . . . . . A 19 ILE HB . 34837 1 214 . 1 . 1 19 19 ILE HG12 H 1 1.473 . . . . . . . A 19 ILE HG12 . 34837 1 215 . 1 . 1 19 19 ILE HG13 H 1 1.102 . . . . . . . A 19 ILE HG13 . 34837 1 216 . 1 . 1 19 19 ILE HG21 H 1 0.739 . . . . . . . A 19 ILE HG21 . 34837 1 217 . 1 . 1 19 19 ILE HG22 H 1 0.739 . . . . . . . A 19 ILE HG22 . 34837 1 218 . 1 . 1 19 19 ILE HG23 H 1 0.739 . . . . . . . A 19 ILE HG23 . 34837 1 219 . 1 . 1 19 19 ILE HD11 H 1 0.813 . . . . . . . A 19 ILE HD11 . 34837 1 220 . 1 . 1 19 19 ILE HD12 H 1 0.813 . . . . . . . A 19 ILE HD12 . 34837 1 221 . 1 . 1 19 19 ILE HD13 H 1 0.813 . . . . . . . A 19 ILE HD13 . 34837 1 222 . 1 . 1 19 19 ILE CA C 13 62.217 . . . . . . . A 19 ILE CA . 34837 1 223 . 1 . 1 19 19 ILE CB C 13 38.756 . . . . . . . A 19 ILE CB . 34837 1 224 . 1 . 1 19 19 ILE CG1 C 13 27.902 . . . . . . . A 19 ILE CG1 . 34837 1 225 . 1 . 1 19 19 ILE CG2 C 13 17.317 . . . . . . . A 19 ILE CG2 . 34837 1 226 . 1 . 1 19 19 ILE CD1 C 13 13.223 . . . . . . . A 19 ILE CD1 . 34837 1 227 . 1 . 1 19 19 ILE N N 15 119.315 . . . . . . . A 19 ILE N . 34837 1 228 . 1 . 1 20 20 ASP H H 1 8.093 . . . . . . . A 20 ASP H . 34837 1 229 . 1 . 1 20 20 ASP HA H 1 4.565 . . . . . . . A 20 ASP HA . 34837 1 230 . 1 . 1 20 20 ASP HB2 H 1 2.632 . . . . . . . A 20 ASP HB2 . 34837 1 231 . 1 . 1 20 20 ASP HB3 H 1 2.681 . . . . . . . A 20 ASP HB3 . 34837 1 232 . 1 . 1 20 20 ASP CA C 13 54.711 . . . . . . . A 20 ASP CA . 34837 1 233 . 1 . 1 20 20 ASP CB C 13 41.114 . . . . . . . A 20 ASP CB . 34837 1 234 . 1 . 1 20 20 ASP N N 15 122.532 . . . . . . . A 20 ASP N . 34837 1 235 . 1 . 1 21 21 TYR H H 1 8.140 . . . . . . . A 21 TYR H . 34837 1 236 . 1 . 1 21 21 TYR HA H 1 4.306 . . . . . . . A 21 TYR HA . 34837 1 237 . 1 . 1 21 21 TYR HB2 H 1 3.021 . . . . . . . A 21 TYR HB2 . 34837 1 238 . 1 . 1 21 21 TYR HB3 H 1 3.093 . . . . . . . A 21 TYR HB3 . 34837 1 239 . 1 . 1 21 21 TYR HD1 H 1 7.115 . . . . . . . A 21 TYR HD1 . 34837 1 240 . 1 . 1 21 21 TYR HD2 H 1 7.115 . . . . . . . A 21 TYR HD2 . 34837 1 241 . 1 . 1 21 21 TYR HE1 H 1 6.803 . . . . . . . A 21 TYR HE1 . 34837 1 242 . 1 . 1 21 21 TYR HE2 H 1 6.803 . . . . . . . A 21 TYR HE2 . 34837 1 243 . 1 . 1 21 21 TYR CA C 13 59.901 . . . . . . . A 21 TYR CA . 34837 1 244 . 1 . 1 21 21 TYR CB C 13 38.209 . . . . . . . A 21 TYR CB . 34837 1 245 . 1 . 1 21 21 TYR CD1 C 13 133.164 . . . . . . . A 21 TYR CD1 . 34837 1 246 . 1 . 1 21 21 TYR CD2 C 13 133.164 . . . . . . . A 21 TYR CD2 . 34837 1 247 . 1 . 1 21 21 TYR CE1 C 13 118.306 . . . . . . . A 21 TYR CE1 . 34837 1 248 . 1 . 1 21 21 TYR CE2 C 13 118.306 . . . . . . . A 21 TYR CE2 . 34837 1 249 . 1 . 1 21 21 TYR N N 15 121.487 . . . . . . . A 21 TYR N . 34837 1 250 . 1 . 1 22 22 ALA H H 1 8.074 . . . . . . . A 22 ALA H . 34837 1 251 . 1 . 1 22 22 ALA HA H 1 4.135 . . . . . . . A 22 ALA HA . 34837 1 252 . 1 . 1 22 22 ALA HB1 H 1 1.397 . . . . . . . A 22 ALA HB1 . 34837 1 253 . 1 . 1 22 22 ALA HB2 H 1 1.397 . . . . . . . A 22 ALA HB2 . 34837 1 254 . 1 . 1 22 22 ALA HB3 H 1 1.397 . . . . . . . A 22 ALA HB3 . 34837 1 255 . 1 . 1 22 22 ALA CA C 13 53.645 . . . . . . . A 22 ALA CA . 34837 1 256 . 1 . 1 22 22 ALA CB C 13 18.702 . . . . . . . A 22 ALA CB . 34837 1 257 . 1 . 1 22 22 ALA N N 15 122.212 . . . . . . . A 22 ALA N . 34837 1 258 . 1 . 1 23 23 LYS H H 1 7.798 . . . . . . . A 23 LYS H . 34837 1 259 . 1 . 1 23 23 LYS HA H 1 4.134 . . . . . . . A 23 LYS HA . 34837 1 260 . 1 . 1 23 23 LYS HB2 H 1 1.725 . . . . . . . A 23 LYS HB2 . 34837 1 261 . 1 . 1 23 23 LYS HB3 H 1 1.725 . . . . . . . A 23 LYS HB3 . 34837 1 262 . 1 . 1 23 23 LYS HG2 H 1 1.407 . . . . . . . A 23 LYS HG2 . 34837 1 263 . 1 . 1 23 23 LYS HG3 H 1 1.299 . . . . . . . A 23 LYS HG3 . 34837 1 264 . 1 . 1 23 23 LYS HD2 H 1 1.627 . . . . . . . A 23 LYS HD2 . 34837 1 265 . 1 . 1 23 23 LYS HD3 H 1 1.627 . . . . . . . A 23 LYS HD3 . 34837 1 266 . 1 . 1 23 23 LYS HE2 H 1 2.946 . . . . . . . A 23 LYS HE2 . 34837 1 267 . 1 . 1 23 23 LYS HE3 H 1 2.946 . . . . . . . A 23 LYS HE3 . 34837 1 268 . 1 . 1 23 23 LYS CA C 13 56.984 . . . . . . . A 23 LYS CA . 34837 1 269 . 1 . 1 23 23 LYS CB C 13 32.647 . . . . . . . A 23 LYS CB . 34837 1 270 . 1 . 1 23 23 LYS CG C 13 25.054 . . . . . . . A 23 LYS CG . 34837 1 271 . 1 . 1 23 23 LYS CD C 13 29.131 . . . . . . . A 23 LYS CD . 34837 1 272 . 1 . 1 23 23 LYS CE C 13 42.038 . . . . . . . A 23 LYS CE . 34837 1 273 . 1 . 1 23 23 LYS N N 15 117.106 . . . . . . . A 23 LYS N . 34837 1 274 . 1 . 1 24 24 HIS H H 1 8.027 . . . . . . . A 24 HIS H . 34837 1 275 . 1 . 1 24 24 HIS HA H 1 4.620 . . . . . . . A 24 HIS HA . 34837 1 276 . 1 . 1 24 24 HIS HB2 H 1 3.246 . . . . . . . A 24 HIS HB2 . 34837 1 277 . 1 . 1 24 24 HIS HB3 H 1 3.115 . . . . . . . A 24 HIS HB3 . 34837 1 278 . 1 . 1 24 24 HIS HD2 H 1 7.212 . . . . . . . A 24 HIS HD2 . 34837 1 279 . 1 . 1 24 24 HIS HE1 H 1 8.436 . . . . . . . A 24 HIS HE1 . 34837 1 280 . 1 . 1 24 24 HIS CA C 13 55.614 . . . . . . . A 24 HIS CA . 34837 1 281 . 1 . 1 24 24 HIS CB C 13 29.179 . . . . . . . A 24 HIS CB . 34837 1 282 . 1 . 1 24 24 HIS CD2 C 13 120.260 . . . . . . . A 24 HIS CD2 . 34837 1 283 . 1 . 1 24 24 HIS CE1 C 13 136.724 . . . . . . . A 24 HIS CE1 . 34837 1 284 . 1 . 1 24 24 HIS N N 15 117.057 . . . . . . . A 24 HIS N . 34837 1 285 . 1 . 1 25 25 LYS H H 1 8.182 . . . . . . . A 25 LYS H . 34837 1 286 . 1 . 1 25 25 LYS HA H 1 4.221 . . . . . . . A 25 LYS HA . 34837 1 287 . 1 . 1 25 25 LYS HB2 H 1 1.724 . . . . . . . A 25 LYS HB2 . 34837 1 288 . 1 . 1 25 25 LYS HB3 H 1 1.777 . . . . . . . A 25 LYS HB3 . 34837 1 289 . 1 . 1 25 25 LYS HG2 H 1 1.306 . . . . . . . A 25 LYS HG2 . 34837 1 290 . 1 . 1 25 25 LYS HG3 H 1 1.366 . . . . . . . A 25 LYS HG3 . 34837 1 291 . 1 . 1 25 25 LYS HD2 H 1 1.637 . . . . . . . A 25 LYS HD2 . 34837 1 292 . 1 . 1 25 25 LYS HD3 H 1 1.637 . . . . . . . A 25 LYS HD3 . 34837 1 293 . 1 . 1 25 25 LYS HE2 H 1 2.951 . . . . . . . A 25 LYS HE2 . 34837 1 294 . 1 . 1 25 25 LYS HE3 H 1 2.951 . . . . . . . A 25 LYS HE3 . 34837 1 295 . 1 . 1 25 25 LYS CA C 13 57.044 . . . . . . . A 25 LYS CA . 34837 1 296 . 1 . 1 25 25 LYS CB C 13 32.900 . . . . . . . A 25 LYS CB . 34837 1 297 . 1 . 1 25 25 LYS CG C 13 24.873 . . . . . . . A 25 LYS CG . 34837 1 298 . 1 . 1 25 25 LYS CD C 13 29.318 . . . . . . . A 25 LYS CD . 34837 1 299 . 1 . 1 25 25 LYS CE C 13 42.162 . . . . . . . A 25 LYS CE . 34837 1 300 . 1 . 1 25 25 LYS N N 15 121.254 . . . . . . . A 25 LYS N . 34837 1 301 . 1 . 1 26 26 VAL H H 1 8.034 . . . . . . . A 26 VAL H . 34837 1 302 . 1 . 1 26 26 VAL HA H 1 4.106 . . . . . . . A 26 VAL HA . 34837 1 303 . 1 . 1 26 26 VAL HB H 1 2.039 . . . . . . . A 26 VAL HB . 34837 1 304 . 1 . 1 26 26 VAL HG11 H 1 0.888 . . . . . . . A 26 VAL HG11 . 34837 1 305 . 1 . 1 26 26 VAL HG12 H 1 0.888 . . . . . . . A 26 VAL HG12 . 34837 1 306 . 1 . 1 26 26 VAL HG13 H 1 0.888 . . . . . . . A 26 VAL HG13 . 34837 1 307 . 1 . 1 26 26 VAL HG21 H 1 0.902 . . . . . . . A 26 VAL HG21 . 34837 1 308 . 1 . 1 26 26 VAL HG22 H 1 0.902 . . . . . . . A 26 VAL HG22 . 34837 1 309 . 1 . 1 26 26 VAL HG23 H 1 0.902 . . . . . . . A 26 VAL HG23 . 34837 1 310 . 1 . 1 26 26 VAL CA C 13 62.379 . . . . . . . A 26 VAL CA . 34837 1 311 . 1 . 1 26 26 VAL CB C 13 32.952 . . . . . . . A 26 VAL CB . 34837 1 312 . 1 . 1 26 26 VAL CG1 C 13 21.273 . . . . . . . A 26 VAL CG1 . 34837 1 313 . 1 . 1 26 26 VAL CG2 C 13 20.709 . . . . . . . A 26 VAL CG2 . 34837 1 314 . 1 . 1 26 26 VAL N N 15 120.501 . . . . . . . A 26 VAL N . 34837 1 315 . 1 . 1 27 27 GLU H H 1 8.387 . . . . . . . A 27 GLU H . 34837 1 316 . 1 . 1 27 27 GLU HA H 1 4.287 . . . . . . . A 27 GLU HA . 34837 1 317 . 1 . 1 27 27 GLU HB2 H 1 1.908 . . . . . . . A 27 GLU HB2 . 34837 1 318 . 1 . 1 27 27 GLU HB3 H 1 1.979 . . . . . . . A 27 GLU HB3 . 34837 1 319 . 1 . 1 27 27 GLU HG2 H 1 2.230 . . . . . . . A 27 GLU HG2 . 34837 1 320 . 1 . 1 27 27 GLU HG3 H 1 2.232 . . . . . . . A 27 GLU HG3 . 34837 1 321 . 1 . 1 27 27 GLU CA C 13 56.348 . . . . . . . A 27 GLU CA . 34837 1 322 . 1 . 1 27 27 GLU CB C 13 30.489 . . . . . . . A 27 GLU CB . 34837 1 323 . 1 . 1 27 27 GLU CG C 13 36.180 . . . . . . . A 27 GLU CG . 34837 1 324 . 1 . 1 27 27 GLU N N 15 124.643 . . . . . . . A 27 GLU N . 34837 1 325 . 1 . 1 28 28 LYS H H 1 8.262 . . . . . . . A 28 LYS H . 34837 1 326 . 1 . 1 28 28 LYS HA H 1 4.190 . . . . . . . A 28 LYS HA . 34837 1 327 . 1 . 1 28 28 LYS HB2 H 1 1.708 . . . . . . . A 28 LYS HB2 . 34837 1 328 . 1 . 1 28 28 LYS HB3 H 1 1.654 . . . . . . . A 28 LYS HB3 . 34837 1 329 . 1 . 1 28 28 LYS HG2 H 1 1.294 . . . . . . . A 28 LYS HG2 . 34837 1 330 . 1 . 1 28 28 LYS HG3 H 1 1.349 . . . . . . . A 28 LYS HG3 . 34837 1 331 . 1 . 1 28 28 LYS HD2 H 1 1.608 . . . . . . . A 28 LYS HD2 . 34837 1 332 . 1 . 1 28 28 LYS HD3 H 1 1.607 . . . . . . . A 28 LYS HD3 . 34837 1 333 . 1 . 1 28 28 LYS HE2 H 1 2.914 . . . . . . . A 28 LYS HE2 . 34837 1 334 . 1 . 1 28 28 LYS HE3 H 1 2.914 . . . . . . . A 28 LYS HE3 . 34837 1 335 . 1 . 1 28 28 LYS CA C 13 56.601 . . . . . . . A 28 LYS CA . 34837 1 336 . 1 . 1 28 28 LYS CB C 13 33.130 . . . . . . . A 28 LYS CB . 34837 1 337 . 1 . 1 28 28 LYS CG C 13 24.847 . . . . . . . A 28 LYS CG . 34837 1 338 . 1 . 1 28 28 LYS CD C 13 29.100 . . . . . . . A 28 LYS CD . 34837 1 339 . 1 . 1 28 28 LYS CE C 13 41.974 . . . . . . . A 28 LYS CE . 34837 1 340 . 1 . 1 28 28 LYS N N 15 121.826 . . . . . . . A 28 LYS N . 34837 1 341 . 1 . 1 29 29 HIS H H 1 8.449 . . . . . . . A 29 HIS H . 34837 1 342 . 1 . 1 29 29 HIS HA H 1 4.628 . . . . . . . A 29 HIS HA . 34837 1 343 . 1 . 1 29 29 HIS HB2 H 1 3.089 . . . . . . . A 29 HIS HB2 . 34837 1 344 . 1 . 1 29 29 HIS HB3 H 1 3.088 . . . . . . . A 29 HIS HB3 . 34837 1 345 . 1 . 1 29 29 HIS HD2 H 1 7.082 . . . . . . . A 29 HIS HD2 . 34837 1 346 . 1 . 1 29 29 HIS HE1 H 1 8.367 . . . . . . . A 29 HIS HE1 . 34837 1 347 . 1 . 1 29 29 HIS CA C 13 55.389 . . . . . . . A 29 HIS CA . 34837 1 348 . 1 . 1 29 29 HIS CB C 13 29.395 . . . . . . . A 29 HIS CB . 34837 1 349 . 1 . 1 29 29 HIS CD2 C 13 119.928 . . . . . . . A 29 HIS CD2 . 34837 1 350 . 1 . 1 29 29 HIS CE1 C 13 136.929 . . . . . . . A 29 HIS CE1 . 34837 1 351 . 1 . 1 29 29 HIS N N 15 119.324 . . . . . . . A 29 HIS N . 34837 1 352 . 1 . 1 30 30 LEU H H 1 8.160 . . . . . . . A 30 LEU H . 34837 1 353 . 1 . 1 30 30 LEU HA H 1 4.320 . . . . . . . A 30 LEU HA . 34837 1 354 . 1 . 1 30 30 LEU HB2 H 1 1.506 . . . . . . . A 30 LEU HB2 . 34837 1 355 . 1 . 1 30 30 LEU HB3 H 1 1.412 . . . . . . . A 30 LEU HB3 . 34837 1 356 . 1 . 1 30 30 LEU HG H 1 1.412 . . . . . . . A 30 LEU HG . 34837 1 357 . 1 . 1 30 30 LEU HD11 H 1 0.839 . . . . . . . A 30 LEU HD11 . 34837 1 358 . 1 . 1 30 30 LEU HD12 H 1 0.839 . . . . . . . A 30 LEU HD12 . 34837 1 359 . 1 . 1 30 30 LEU HD13 H 1 0.839 . . . . . . . A 30 LEU HD13 . 34837 1 360 . 1 . 1 30 30 LEU HD21 H 1 0.772 . . . . . . . A 30 LEU HD21 . 34837 1 361 . 1 . 1 30 30 LEU HD22 H 1 0.772 . . . . . . . A 30 LEU HD22 . 34837 1 362 . 1 . 1 30 30 LEU HD23 H 1 0.772 . . . . . . . A 30 LEU HD23 . 34837 1 363 . 1 . 1 30 30 LEU CA C 13 55.044 . . . . . . . A 30 LEU CA . 34837 1 364 . 1 . 1 30 30 LEU CB C 13 42.602 . . . . . . . A 30 LEU CB . 34837 1 365 . 1 . 1 30 30 LEU CG C 13 27.032 . . . . . . . A 30 LEU CG . 34837 1 366 . 1 . 1 30 30 LEU CD1 C 13 25.023 . . . . . . . A 30 LEU CD1 . 34837 1 367 . 1 . 1 30 30 LEU CD2 C 13 23.548 . . . . . . . A 30 LEU CD2 . 34837 1 368 . 1 . 1 30 30 LEU N N 15 122.890 . . . . . . . A 30 LEU N . 34837 1 369 . 1 . 1 31 31 PHE H H 1 8.170 . . . . . . . A 31 PHE H . 34837 1 370 . 1 . 1 31 31 PHE HA H 1 4.685 . . . . . . . A 31 PHE HA . 34837 1 371 . 1 . 1 31 31 PHE HB2 H 1 2.961 . . . . . . . A 31 PHE HB2 . 34837 1 372 . 1 . 1 31 31 PHE HB3 H 1 3.076 . . . . . . . A 31 PHE HB3 . 34837 1 373 . 1 . 1 31 31 PHE HD1 H 1 7.197 . . . . . . . A 31 PHE HD1 . 34837 1 374 . 1 . 1 31 31 PHE HD2 H 1 7.197 . . . . . . . A 31 PHE HD2 . 34837 1 375 . 1 . 1 31 31 PHE HE1 H 1 7.292 . . . . . . . A 31 PHE HE1 . 34837 1 376 . 1 . 1 31 31 PHE HE2 H 1 7.292 . . . . . . . A 31 PHE HE2 . 34837 1 377 . 1 . 1 31 31 PHE HZ H 1 7.240 . . . . . . . A 31 PHE HZ . 34837 1 378 . 1 . 1 31 31 PHE CA C 13 57.256 . . . . . . . A 31 PHE CA . 34837 1 379 . 1 . 1 31 31 PHE CB C 13 40.228 . . . . . . . A 31 PHE CB . 34837 1 380 . 1 . 1 31 31 PHE CD1 C 13 131.991 . . . . . . . A 31 PHE CD1 . 34837 1 381 . 1 . 1 31 31 PHE CD2 C 13 131.991 . . . . . . . A 31 PHE CD2 . 34837 1 382 . 1 . 1 31 31 PHE CE1 C 13 131.426 . . . . . . . A 31 PHE CE1 . 34837 1 383 . 1 . 1 31 31 PHE CE2 C 13 131.426 . . . . . . . A 31 PHE CE2 . 34837 1 384 . 1 . 1 31 31 PHE CZ C 13 129.874 . . . . . . . A 31 PHE CZ . 34837 1 385 . 1 . 1 31 31 PHE N N 15 120.448 . . . . . . . A 31 PHE N . 34837 1 386 . 1 . 1 32 32 LYS H H 1 8.302 . . . . . . . A 32 LYS H . 34837 1 387 . 1 . 1 32 32 LYS HA H 1 4.382 . . . . . . . A 32 LYS HA . 34837 1 388 . 1 . 1 32 32 LYS HB2 H 1 1.766 . . . . . . . A 32 LYS HB2 . 34837 1 389 . 1 . 1 32 32 LYS HB3 H 1 1.681 . . . . . . . A 32 LYS HB3 . 34837 1 390 . 1 . 1 32 32 LYS HG2 H 1 1.365 . . . . . . . A 32 LYS HG2 . 34837 1 391 . 1 . 1 32 32 LYS HG3 H 1 1.333 . . . . . . . A 32 LYS HG3 . 34837 1 392 . 1 . 1 32 32 LYS HD2 H 1 1.668 . . . . . . . A 32 LYS HD2 . 34837 1 393 . 1 . 1 32 32 LYS HD3 H 1 1.668 . . . . . . . A 32 LYS HD3 . 34837 1 394 . 1 . 1 32 32 LYS HE2 H 1 2.955 . . . . . . . A 32 LYS HE2 . 34837 1 395 . 1 . 1 32 32 LYS HE3 H 1 2.955 . . . . . . . A 32 LYS HE3 . 34837 1 396 . 1 . 1 32 32 LYS CA C 13 55.937 . . . . . . . A 32 LYS CA . 34837 1 397 . 1 . 1 32 32 LYS CB C 13 33.591 . . . . . . . A 32 LYS CB . 34837 1 398 . 1 . 1 32 32 LYS CG C 13 24.631 . . . . . . . A 32 LYS CG . 34837 1 399 . 1 . 1 32 32 LYS CD C 13 29.066 . . . . . . . A 32 LYS CD . 34837 1 400 . 1 . 1 32 32 LYS N N 15 122.736 . . . . . . . A 32 LYS N . 34837 1 401 . 1 . 1 33 33 CYS H H 1 8.447 . . . . . . . A 33 CYS H . 34837 1 402 . 1 . 1 33 33 CYS HA H 1 4.809 . . . . . . . A 33 CYS HA . 34837 1 403 . 1 . 1 33 33 CYS HB2 H 1 3.088 . . . . . . . A 33 CYS HB2 . 34837 1 404 . 1 . 1 33 33 CYS HB3 H 1 2.912 . . . . . . . A 33 CYS HB3 . 34837 1 405 . 1 . 1 33 33 CYS N N 15 121.438 . . . . . . . A 33 CYS N . 34837 1 406 . 1 . 1 34 34 ILE H H 1 7.983 . . . . . . . A 34 ILE H . 34837 1 407 . 1 . 1 34 34 ILE HA H 1 4.121 . . . . . . . A 34 ILE HA . 34837 1 408 . 1 . 1 34 34 ILE HB H 1 1.841 . . . . . . . A 34 ILE HB . 34837 1 409 . 1 . 1 34 34 ILE HG12 H 1 1.133 . . . . . . . A 34 ILE HG12 . 34837 1 410 . 1 . 1 34 34 ILE HG13 H 1 1.425 . . . . . . . A 34 ILE HG13 . 34837 1 411 . 1 . 1 34 34 ILE HG21 H 1 0.889 . . . . . . . A 34 ILE HG21 . 34837 1 412 . 1 . 1 34 34 ILE HG22 H 1 0.889 . . . . . . . A 34 ILE HG22 . 34837 1 413 . 1 . 1 34 34 ILE HG23 H 1 0.889 . . . . . . . A 34 ILE HG23 . 34837 1 414 . 1 . 1 34 34 ILE HD11 H 1 0.864 . . . . . . . A 34 ILE HD11 . 34837 1 415 . 1 . 1 34 34 ILE HD12 H 1 0.864 . . . . . . . A 34 ILE HD12 . 34837 1 416 . 1 . 1 34 34 ILE HD13 H 1 0.864 . . . . . . . A 34 ILE HD13 . 34837 1 417 . 1 . 1 34 34 ILE CA C 13 62.951 . . . . . . . A 34 ILE CA . 34837 1 418 . 1 . 1 34 34 ILE CB C 13 40.170 . . . . . . . A 34 ILE CB . 34837 1 419 . 1 . 1 34 34 ILE CG1 C 13 27.421 . . . . . . . A 34 ILE CG1 . 34837 1 420 . 1 . 1 34 34 ILE CG2 C 13 18.167 . . . . . . . A 34 ILE CG2 . 34837 1 421 . 1 . 1 34 34 ILE CD1 C 13 13.726 . . . . . . . A 34 ILE CD1 . 34837 1 422 . 1 . 1 34 34 ILE N N 15 126.382 . . . . . . . A 34 ILE N . 34837 1 stop_ save_