data_34237 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34237 _Entry.Title ; NMR structure of Casocidin-II antimicrobial peptide in 60% TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-19 _Entry.Accession_date 2018-02-19 _Entry.Last_release_date 2018-02-21 _Entry.Original_release_date 2018-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34237 stop_ 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 F. Mercurio F. A. . . 34237 2 M. Leone M. . . . 34237 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 34237 'Antimicrobial peptide' . 34237 TFE . 34237 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34237 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 255 34237 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-09-24 . original BMRB . 34237 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FS4 . 34237 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34237 _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 Casocidin-II antimicrobial peptide in 60% TFE ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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 F. Mercurio F. A. . . 34237 1 2 M. Leone M. . . . 34237 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34237 _Assembly.ID 1 _Assembly.Name Alpha-S2-casein _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 entity_1 1 $entity_1 A A yes . . . . . . 34237 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34237 _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 ; TKLTEEEKNRLNFLKKISQR YQKFALPQYLK ; _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 166-196' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3864.535 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 THR . 34237 1 2 3 LYS . 34237 1 3 4 LEU . 34237 1 4 5 THR . 34237 1 5 6 GLU . 34237 1 6 7 GLU . 34237 1 7 8 GLU . 34237 1 8 9 LYS . 34237 1 9 10 ASN . 34237 1 10 11 ARG . 34237 1 11 12 LEU . 34237 1 12 13 ASN . 34237 1 13 14 PHE . 34237 1 14 15 LEU . 34237 1 15 16 LYS . 34237 1 16 17 LYS . 34237 1 17 18 ILE . 34237 1 18 19 SER . 34237 1 19 20 GLN . 34237 1 20 21 ARG . 34237 1 21 22 TYR . 34237 1 22 23 GLN . 34237 1 23 24 LYS . 34237 1 24 25 PHE . 34237 1 25 26 ALA . 34237 1 26 27 LEU . 34237 1 27 28 PRO . 34237 1 28 29 GLN . 34237 1 29 30 TYR . 34237 1 30 31 LEU . 34237 1 31 32 LYS . 34237 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 . THR 1 1 34237 1 . LYS 2 2 34237 1 . LEU 3 3 34237 1 . THR 4 4 34237 1 . GLU 5 5 34237 1 . GLU 6 6 34237 1 . GLU 7 7 34237 1 . LYS 8 8 34237 1 . ASN 9 9 34237 1 . ARG 10 10 34237 1 . LEU 11 11 34237 1 . ASN 12 12 34237 1 . PHE 13 13 34237 1 . LEU 14 14 34237 1 . LYS 15 15 34237 1 . LYS 16 16 34237 1 . ILE 17 17 34237 1 . SER 18 18 34237 1 . GLN 19 19 34237 1 . ARG 20 20 34237 1 . TYR 21 21 34237 1 . GLN 22 22 34237 1 . LYS 23 23 34237 1 . PHE 24 24 34237 1 . ALA 25 25 34237 1 . LEU 26 26 34237 1 . PRO 27 27 34237 1 . GLN 28 28 34237 1 . TYR 29 29 34237 1 . LEU 30 30 34237 1 . LYS 31 31 34237 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 34237 _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 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 34237 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 34237 _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' . . . . . . . . . . . . . . . . 34237 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34237 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM Casocidin II, trifluoroethanol/water' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 'Casocidin II' 'natural abundance' . . 1 $entity_1 . . 1.2 . . mM . . . . 34237 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 34237 _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 2.8 . pH 34237 1 pressure 1 . atm 34237 1 temperature 298 . K 34237 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34237 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 34237 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34237 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34237 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34237 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34237 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34237 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34237 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34237 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 34237 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cold probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34237 _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 NMR_spectrometer_1 Varian UNITY . 600 . . . 34237 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 34237 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34237 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34237 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34237 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 34237 _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 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34237 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 34237 _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 $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' . . . 34237 1 2 '2D 1H-1H NOESY' . . . 34237 1 3 '2D DQF-COSY' . . . 34237 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.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 THR HA H 1 4.14 0.01 . 1 . . . . A 2 THR HA . 34237 1 2 . 1 1 1 1 THR HB H 1 4.57 0.01 . 1 . . . . A 2 THR HB . 34237 1 3 . 1 1 1 1 THR HG21 H 1 1.46 0.01 . 1 . . . . A 2 THR HG21 . 34237 1 4 . 1 1 1 1 THR HG22 H 1 1.46 0.01 . 1 . . . . A 2 THR HG22 . 34237 1 5 . 1 1 1 1 THR HG23 H 1 1.46 0.01 . 1 . . . . A 2 THR HG23 . 34237 1 6 . 1 1 2 2 LYS H H 1 8.94 0.01 . 1 . . . . A 3 LYS H . 34237 1 7 . 1 1 2 2 LYS HA H 1 4.30 0.01 . 1 . . . . A 3 LYS HA . 34237 1 8 . 1 1 2 2 LYS HB2 H 1 1.93 0.01 . 2 . . . . A 3 LYS HB2 . 34237 1 9 . 1 1 2 2 LYS HB3 H 1 1.89 0.01 . 2 . . . . A 3 LYS HB3 . 34237 1 10 . 1 1 2 2 LYS HG2 H 1 1.56 0.01 . 2 . . . . A 3 LYS HG2 . 34237 1 11 . 1 1 2 2 LYS HG3 H 1 1.53 0.01 . 2 . . . . A 3 LYS HG3 . 34237 1 12 . 1 1 2 2 LYS HD2 H 1 1.76 0.01 . 1 . . . . A 3 LYS HD2 . 34237 1 13 . 1 1 2 2 LYS HD3 H 1 1.76 0.01 . 1 . . . . A 3 LYS HD3 . 34237 1 14 . 1 1 2 2 LYS HE2 H 1 3.04 0.01 . 1 . . . . A 3 LYS HE2 . 34237 1 15 . 1 1 2 2 LYS HE3 H 1 3.04 0.01 . 1 . . . . A 3 LYS HE3 . 34237 1 16 . 1 1 3 3 LEU H H 1 7.87 0.01 . 1 . . . . A 4 LEU H . 34237 1 17 . 1 1 3 3 LEU HA H 1 4.40 0.01 . 1 . . . . A 4 LEU HA . 34237 1 18 . 1 1 3 3 LEU HB2 H 1 1.70 0.01 . 2 . . . . A 4 LEU HB2 . 34237 1 19 . 1 1 3 3 LEU HB3 H 1 1.67 0.01 . 2 . . . . A 4 LEU HB3 . 34237 1 20 . 1 1 3 3 LEU HD11 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD11 . 34237 1 21 . 1 1 3 3 LEU HD12 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD12 . 34237 1 22 . 1 1 3 3 LEU HD13 H 1 0.99 0.01 . 2 . . . . A 4 LEU HD13 . 34237 1 23 . 1 1 3 3 LEU HD21 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD21 . 34237 1 24 . 1 1 3 3 LEU HD22 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD22 . 34237 1 25 . 1 1 3 3 LEU HD23 H 1 0.94 0.01 . 2 . . . . A 4 LEU HD23 . 34237 1 26 . 1 1 4 4 THR H H 1 7.76 0.01 . 1 . . . . A 5 THR H . 34237 1 27 . 1 1 4 4 THR HA H 1 4.24 0.01 . 1 . . . . A 5 THR HA . 34237 1 28 . 1 1 4 4 THR HB H 1 4.49 0.01 . 1 . . . . A 5 THR HB . 34237 1 29 . 1 1 4 4 THR HG21 H 1 1.34 0.01 . 1 . . . . A 5 THR HG21 . 34237 1 30 . 1 1 4 4 THR HG22 H 1 1.34 0.01 . 1 . . . . A 5 THR HG22 . 34237 1 31 . 1 1 4 4 THR HG23 H 1 1.34 0.01 . 1 . . . . A 5 THR HG23 . 34237 1 32 . 1 1 5 5 GLU H H 1 8.28 0.01 . 1 . . . . A 6 GLU H . 34237 1 33 . 1 1 5 5 GLU HA H 1 4.13 0.01 . 1 . . . . A 6 GLU HA . 34237 1 34 . 1 1 5 5 GLU HB2 H 1 2.23 0.01 . 1 . . . . A 6 GLU HB2 . 34237 1 35 . 1 1 5 5 GLU HB3 H 1 2.23 0.01 . 1 . . . . A 6 GLU HB3 . 34237 1 36 . 1 1 5 5 GLU HG2 H 1 2.56 0.01 . 1 . . . . A 6 GLU HG2 . 34237 1 37 . 1 1 5 5 GLU HG3 H 1 2.56 0.01 . 1 . . . . A 6 GLU HG3 . 34237 1 38 . 1 1 6 6 GLU H H 1 8.32 0.01 . 1 . . . . A 7 GLU H . 34237 1 39 . 1 1 6 6 GLU HA H 1 4.18 0.01 . 1 . . . . A 7 GLU HA . 34237 1 40 . 1 1 6 6 GLU HB2 H 1 2.31 0.01 . 2 . . . . A 7 GLU HB2 . 34237 1 41 . 1 1 6 6 GLU HB3 H 1 2.19 0.01 . 2 . . . . A 7 GLU HB3 . 34237 1 42 . 1 1 6 6 GLU HG2 H 1 2.61 0.01 . 2 . . . . A 7 GLU HG2 . 34237 1 43 . 1 1 6 6 GLU HG3 H 1 2.55 0.01 . 2 . . . . A 7 GLU HG3 . 34237 1 44 . 1 1 7 7 GLU H H 1 8.22 0.01 . 1 . . . . A 8 GLU H . 34237 1 45 . 1 1 7 7 GLU HA H 1 4.10 0.01 . 1 . . . . A 8 GLU HA . 34237 1 46 . 1 1 7 7 GLU HB2 H 1 2.49 0.01 . 2 . . . . A 8 GLU HB2 . 34237 1 47 . 1 1 7 7 GLU HB3 H 1 2.36 0.01 . 2 . . . . A 8 GLU HB3 . 34237 1 48 . 1 1 7 7 GLU HG2 H 1 2.62 0.01 . 1 . . . . A 8 GLU HG2 . 34237 1 49 . 1 1 7 7 GLU HG3 H 1 2.62 0.01 . 1 . . . . A 8 GLU HG3 . 34237 1 50 . 1 1 8 8 LYS H H 1 8.35 0.01 . 1 . . . . A 9 LYS H . 34237 1 51 . 1 1 8 8 LYS HA H 1 4.00 0.01 . 1 . . . . A 9 LYS HA . 34237 1 52 . 1 1 8 8 LYS HB2 H 1 1.99 0.01 . 1 . . . . A 9 LYS HB2 . 34237 1 53 . 1 1 8 8 LYS HB3 H 1 1.99 0.01 . 1 . . . . A 9 LYS HB3 . 34237 1 54 . 1 1 8 8 LYS HG2 H 1 1.46 0.01 . 2 . . . . A 9 LYS HG2 . 34237 1 55 . 1 1 8 8 LYS HG3 H 1 1.48 0.01 . 2 . . . . A 9 LYS HG3 . 34237 1 56 . 1 1 8 8 LYS HD2 H 1 1.75 0.01 . 1 . . . . A 9 LYS HD2 . 34237 1 57 . 1 1 8 8 LYS HD3 H 1 1.75 0.01 . 1 . . . . A 9 LYS HD3 . 34237 1 58 . 1 1 8 8 LYS HE2 H 1 2.99 0.01 . 1 . . . . A 9 LYS HE2 . 34237 1 59 . 1 1 8 8 LYS HE3 H 1 2.99 0.01 . 1 . . . . A 9 LYS HE3 . 34237 1 60 . 1 1 9 9 ASN H H 1 8.23 0.01 . 1 . . . . A 10 ASN H . 34237 1 61 . 1 1 9 9 ASN HA H 1 4.57 0.01 . 1 . . . . A 10 ASN HA . 34237 1 62 . 1 1 9 9 ASN HB2 H 1 3.02 0.01 . 2 . . . . A 10 ASN HB2 . 34237 1 63 . 1 1 9 9 ASN HB3 H 1 2.88 0.01 . 2 . . . . A 10 ASN HB3 . 34237 1 64 . 1 1 9 9 ASN HD21 H 1 7.43 0.01 . 2 . . . . A 10 ASN HD21 . 34237 1 65 . 1 1 9 9 ASN HD22 H 1 6.74 0.01 . 2 . . . . A 10 ASN HD22 . 34237 1 66 . 1 1 10 10 ARG H H 1 8.18 0.01 . 1 . . . . A 11 ARG H . 34237 1 67 . 1 1 10 10 ARG HA H 1 4.21 0.01 . 1 . . . . A 11 ARG HA . 34237 1 68 . 1 1 10 10 ARG HB2 H 1 2.09 0.01 . 2 . . . . A 11 ARG HB2 . 34237 1 69 . 1 1 10 10 ARG HB3 H 1 2.07 0.01 . 2 . . . . A 11 ARG HB3 . 34237 1 70 . 1 1 10 10 ARG HG2 H 1 1.92 0.01 . 2 . . . . A 11 ARG HG2 . 34237 1 71 . 1 1 10 10 ARG HG3 H 1 1.74 0.01 . 2 . . . . A 11 ARG HG3 . 34237 1 72 . 1 1 10 10 ARG HD2 H 1 3.27 0.01 . 1 . . . . A 11 ARG HD2 . 34237 1 73 . 1 1 10 10 ARG HD3 H 1 3.27 0.01 . 1 . . . . A 11 ARG HD3 . 34237 1 74 . 1 1 10 10 ARG HE H 1 7.15 0.01 . 1 . . . . A 11 ARG HE . 34237 1 75 . 1 1 11 11 LEU H H 1 8.43 0.01 . 1 . . . . A 12 LEU H . 34237 1 76 . 1 1 11 11 LEU HA H 1 4.22 0.01 . 1 . . . . A 12 LEU HA . 34237 1 77 . 1 1 11 11 LEU HB2 H 1 1.95 0.01 . 2 . . . . A 12 LEU HB2 . 34237 1 78 . 1 1 11 11 LEU HB3 H 1 1.93 0.01 . 2 . . . . A 12 LEU HB3 . 34237 1 79 . 1 1 11 11 LEU HG H 1 1.66 0.01 . 1 . . . . A 12 LEU HG . 34237 1 80 . 1 1 11 11 LEU HD11 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD11 . 34237 1 81 . 1 1 11 11 LEU HD12 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD12 . 34237 1 82 . 1 1 11 11 LEU HD13 H 1 1.00 0.01 . 2 . . . . A 12 LEU HD13 . 34237 1 83 . 1 1 11 11 LEU HD21 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD21 . 34237 1 84 . 1 1 11 11 LEU HD22 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD22 . 34237 1 85 . 1 1 11 11 LEU HD23 H 1 0.93 0.01 . 2 . . . . A 12 LEU HD23 . 34237 1 86 . 1 1 12 12 ASN H H 1 8.31 0.01 . 1 . . . . A 13 ASN H . 34237 1 87 . 1 1 12 12 ASN HA H 1 4.52 0.01 . 1 . . . . A 13 ASN HA . 34237 1 88 . 1 1 12 12 ASN HB2 H 1 3.05 0.01 . 2 . . . . A 13 ASN HB2 . 34237 1 89 . 1 1 12 12 ASN HB3 H 1 2.87 0.01 . 2 . . . . A 13 ASN HB3 . 34237 1 90 . 1 1 12 12 ASN HD21 H 1 7.67 0.01 . 2 . . . . A 13 ASN HD21 . 34237 1 91 . 1 1 12 12 ASN HD22 H 1 6.77 0.01 . 2 . . . . A 13 ASN HD22 . 34237 1 92 . 1 1 13 13 PHE H H 1 8.15 0.01 . 1 . . . . A 14 PHE H . 34237 1 93 . 1 1 13 13 PHE HA H 1 4.34 0.01 . 1 . . . . A 14 PHE HA . 34237 1 94 . 1 1 13 13 PHE HB2 H 1 3.42 0.01 . 2 . . . . A 14 PHE HB2 . 34237 1 95 . 1 1 13 13 PHE HB3 H 1 3.35 0.01 . 2 . . . . A 14 PHE HB3 . 34237 1 96 . 1 1 13 13 PHE HD1 H 1 7.26 0.01 . 3 . . . . A 14 PHE HD1 . 34237 1 97 . 1 1 13 13 PHE HD2 H 1 7.26 0.01 . 3 . . . . A 14 PHE HD2 . 34237 1 98 . 1 1 13 13 PHE HE1 H 1 7.31 0.01 . 3 . . . . A 14 PHE HE1 . 34237 1 99 . 1 1 13 13 PHE HE2 H 1 7.31 0.01 . 3 . . . . A 14 PHE HE2 . 34237 1 100 . 1 1 13 13 PHE HZ H 1 7.28 0.01 . 1 . . . . A 14 PHE HZ . 34237 1 101 . 1 1 14 14 LEU H H 1 8.51 0.01 . 1 . . . . A 15 LEU H . 34237 1 102 . 1 1 14 14 LEU HA H 1 4.03 0.01 . 1 . . . . A 15 LEU HA . 34237 1 103 . 1 1 14 14 LEU HB2 H 1 2.03 0.01 . 2 . . . . A 15 LEU HB2 . 34237 1 104 . 1 1 14 14 LEU HB3 H 1 1.98 0.01 . 2 . . . . A 15 LEU HB3 . 34237 1 105 . 1 1 14 14 LEU HG H 1 1.66 0.01 . 1 . . . . A 15 LEU HG . 34237 1 106 . 1 1 14 14 LEU HD11 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD11 . 34237 1 107 . 1 1 14 14 LEU HD12 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD12 . 34237 1 108 . 1 1 14 14 LEU HD13 H 1 1.00 0.01 . 2 . . . . A 15 LEU HD13 . 34237 1 109 . 1 1 14 14 LEU HD21 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD21 . 34237 1 110 . 1 1 14 14 LEU HD22 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD22 . 34237 1 111 . 1 1 14 14 LEU HD23 H 1 0.95 0.01 . 2 . . . . A 15 LEU HD23 . 34237 1 112 . 1 1 15 15 LYS H H 1 8.51 0.01 . 1 . . . . A 16 LYS H . 34237 1 113 . 1 1 15 15 LYS HA H 1 3.97 0.01 . 1 . . . . A 16 LYS HA . 34237 1 114 . 1 1 15 15 LYS HB2 H 1 2.07 0.01 . 2 . . . . A 16 LYS HB2 . 34237 1 115 . 1 1 15 15 LYS HB3 H 1 2.00 0.01 . 2 . . . . A 16 LYS HB3 . 34237 1 116 . 1 1 15 15 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 16 LYS HG2 . 34237 1 117 . 1 1 15 15 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 16 LYS HG3 . 34237 1 118 . 1 1 15 15 LYS HD2 H 1 1.72 0.01 . 1 . . . . A 16 LYS HD2 . 34237 1 119 . 1 1 15 15 LYS HD3 H 1 1.72 0.01 . 1 . . . . A 16 LYS HD3 . 34237 1 120 . 1 1 15 15 LYS HE2 H 1 3.00 0.01 . 1 . . . . A 16 LYS HE2 . 34237 1 121 . 1 1 15 15 LYS HE3 H 1 3.00 0.01 . 1 . . . . A 16 LYS HE3 . 34237 1 122 . 1 1 16 16 LYS H H 1 7.87 0.01 . 1 . . . . A 17 LYS H . 34237 1 123 . 1 1 16 16 LYS HA H 1 4.18 0.01 . 1 . . . . A 17 LYS HA . 34237 1 124 . 1 1 16 16 LYS HB2 H 1 2.05 0.01 . 2 . . . . A 17 LYS HB2 . 34237 1 125 . 1 1 16 16 LYS HB3 H 1 1.94 0.01 . 2 . . . . A 17 LYS HB3 . 34237 1 126 . 1 1 16 16 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 17 LYS HG2 . 34237 1 127 . 1 1 16 16 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 17 LYS HG3 . 34237 1 128 . 1 1 16 16 LYS HD2 H 1 1.69 0.01 . 1 . . . . A 17 LYS HD2 . 34237 1 129 . 1 1 16 16 LYS HD3 H 1 1.69 0.01 . 1 . . . . A 17 LYS HD3 . 34237 1 130 . 1 1 16 16 LYS HE2 H 1 3.01 0.01 . 1 . . . . A 17 LYS HE2 . 34237 1 131 . 1 1 16 16 LYS HE3 H 1 3.01 0.01 . 1 . . . . A 17 LYS HE3 . 34237 1 132 . 1 1 17 17 ILE H H 1 8.31 0.01 . 1 . . . . A 18 ILE H . 34237 1 133 . 1 1 17 17 ILE HA H 1 3.90 0.01 . 1 . . . . A 18 ILE HA . 34237 1 134 . 1 1 17 17 ILE HB H 1 1.85 0.01 . 1 . . . . A 18 ILE HB . 34237 1 135 . 1 1 17 17 ILE HG12 H 1 1.31 0.01 . 2 . . . . A 18 ILE HG12 . 34237 1 136 . 1 1 17 17 ILE HG13 H 1 1.14 0.01 . 2 . . . . A 18 ILE HG13 . 34237 1 137 . 1 1 17 17 ILE HG21 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG21 . 34237 1 138 . 1 1 17 17 ILE HG22 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG22 . 34237 1 139 . 1 1 17 17 ILE HG23 H 1 0.80 0.01 . 1 . . . . A 18 ILE HG23 . 34237 1 140 . 1 1 17 17 ILE HD11 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD11 . 34237 1 141 . 1 1 17 17 ILE HD12 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD12 . 34237 1 142 . 1 1 17 17 ILE HD13 H 1 0.72 0.01 . 1 . . . . A 18 ILE HD13 . 34237 1 143 . 1 1 18 18 SER H H 1 8.16 0.01 . 1 . . . . A 19 SER H . 34237 1 144 . 1 1 18 18 SER HA H 1 4.29 0.01 . 1 . . . . A 19 SER HA . 34237 1 145 . 1 1 18 18 SER HB2 H 1 4.10 0.01 . 2 . . . . A 19 SER HB2 . 34237 1 146 . 1 1 18 18 SER HB3 H 1 4.03 0.01 . 2 . . . . A 19 SER HB3 . 34237 1 147 . 1 1 19 19 GLN H H 1 7.79 0.01 . 1 . . . . A 20 GLN H . 34237 1 148 . 1 1 19 19 GLN HA H 1 4.21 0.01 . 1 . . . . A 20 GLN HA . 34237 1 149 . 1 1 19 19 GLN HB2 H 1 2.24 0.01 . 2 . . . . A 20 GLN HB2 . 34237 1 150 . 1 1 19 19 GLN HB3 H 1 2.19 0.01 . 2 . . . . A 20 GLN HB3 . 34237 1 151 . 1 1 19 19 GLN HG2 H 1 2.63 0.01 . 2 . . . . A 20 GLN HG2 . 34237 1 152 . 1 1 19 19 GLN HG3 H 1 2.46 0.01 . 2 . . . . A 20 GLN HG3 . 34237 1 153 . 1 1 19 19 GLN HE21 H 1 7.36 0.01 . 2 . . . . A 20 GLN HE21 . 34237 1 154 . 1 1 19 19 GLN HE22 H 1 6.66 0.01 . 2 . . . . A 20 GLN HE22 . 34237 1 155 . 1 1 20 20 ARG H H 1 7.81 0.01 . 1 . . . . A 21 ARG H . 34237 1 156 . 1 1 20 20 ARG HA H 1 4.16 0.01 . 1 . . . . A 21 ARG HA . 34237 1 157 . 1 1 20 20 ARG HB2 H 1 1.86 0.01 . 1 . . . . A 21 ARG HB2 . 34237 1 158 . 1 1 20 20 ARG HB3 H 1 1.86 0.01 . 1 . . . . A 21 ARG HB3 . 34237 1 159 . 1 1 20 20 ARG HG2 H 1 1.53 0.01 . 1 . . . . A 21 ARG HG2 . 34237 1 160 . 1 1 20 20 ARG HG3 H 1 1.53 0.01 . 1 . . . . A 21 ARG HG3 . 34237 1 161 . 1 1 20 20 ARG HD2 H 1 3.12 0.01 . 1 . . . . A 21 ARG HD2 . 34237 1 162 . 1 1 20 20 ARG HD3 H 1 3.12 0.01 . 1 . . . . A 21 ARG HD3 . 34237 1 163 . 1 1 20 20 ARG HE H 1 7.08 0.01 . 1 . . . . A 21 ARG HE . 34237 1 164 . 1 1 21 21 TYR H H 1 7.97 0.01 . 1 . . . . A 22 TYR H . 34237 1 165 . 1 1 21 21 TYR HA H 1 4.52 0.01 . 1 . . . . A 22 TYR HA . 34237 1 166 . 1 1 21 21 TYR HB2 H 1 3.23 0.01 . 2 . . . . A 22 TYR HB2 . 34237 1 167 . 1 1 21 21 TYR HB3 H 1 3.02 0.01 . 2 . . . . A 22 TYR HB3 . 34237 1 168 . 1 1 21 21 TYR HD1 H 1 7.17 0.01 . 3 . . . . A 22 TYR HD1 . 34237 1 169 . 1 1 21 21 TYR HD2 H 1 7.17 0.01 . 3 . . . . A 22 TYR HD2 . 34237 1 170 . 1 1 21 21 TYR HE1 H 1 6.81 0.01 . 3 . . . . A 22 TYR HE1 . 34237 1 171 . 1 1 21 21 TYR HE2 H 1 6.81 0.01 . 3 . . . . A 22 TYR HE2 . 34237 1 172 . 1 1 22 22 GLN H H 1 7.97 0.01 . 1 . . . . A 23 GLN H . 34237 1 173 . 1 1 22 22 GLN HA H 1 4.18 0.01 . 1 . . . . A 23 GLN HA . 34237 1 174 . 1 1 22 22 GLN HB2 H 1 2.15 0.01 . 1 . . . . A 23 GLN HB2 . 34237 1 175 . 1 1 22 22 GLN HB3 H 1 2.15 0.01 . 1 . . . . A 23 GLN HB3 . 34237 1 176 . 1 1 22 22 GLN HG2 H 1 2.47 0.01 . 2 . . . . A 23 GLN HG2 . 34237 1 177 . 1 1 22 22 GLN HG3 H 1 2.41 0.01 . 2 . . . . A 23 GLN HG3 . 34237 1 178 . 1 1 22 22 GLN HE21 H 1 7.23 0.01 . 2 . . . . A 23 GLN HE21 . 34237 1 179 . 1 1 22 22 GLN HE22 H 1 6.57 0.01 . 2 . . . . A 23 GLN HE22 . 34237 1 180 . 1 1 23 23 LYS H H 1 7.88 0.01 . 1 . . . . A 24 LYS H . 34237 1 181 . 1 1 23 23 LYS HA H 1 4.19 0.01 . 1 . . . . A 24 LYS HA . 34237 1 182 . 1 1 23 23 LYS HB2 H 1 1.75 0.01 . 2 . . . . A 24 LYS HB2 . 34237 1 183 . 1 1 23 23 LYS HB3 H 1 1.69 0.01 . 2 . . . . A 24 LYS HB3 . 34237 1 184 . 1 1 23 23 LYS HG2 H 1 1.36 0.01 . 2 . . . . A 24 LYS HG2 . 34237 1 185 . 1 1 23 23 LYS HG3 H 1 1.31 0.01 . 2 . . . . A 24 LYS HG3 . 34237 1 186 . 1 1 23 23 LYS HD2 H 1 1.65 0.01 . 1 . . . . A 24 LYS HD2 . 34237 1 187 . 1 1 23 23 LYS HD3 H 1 1.65 0.01 . 1 . . . . A 24 LYS HD3 . 34237 1 188 . 1 1 23 23 LYS HE2 H 1 2.97 0.01 . 1 . . . . A 24 LYS HE2 . 34237 1 189 . 1 1 23 23 LYS HE3 H 1 2.97 0.01 . 1 . . . . A 24 LYS HE3 . 34237 1 190 . 1 1 24 24 PHE H H 1 7.77 0.01 . 1 . . . . A 25 PHE H . 34237 1 191 . 1 1 24 24 PHE HA H 1 4.61 0.01 . 1 . . . . A 25 PHE HA . 34237 1 192 . 1 1 24 24 PHE HB2 H 1 3.23 0.01 . 2 . . . . A 25 PHE HB2 . 34237 1 193 . 1 1 24 24 PHE HB3 H 1 3.06 0.01 . 2 . . . . A 25 PHE HB3 . 34237 1 194 . 1 1 24 24 PHE HD1 H 1 7.29 0.01 . 3 . . . . A 25 PHE HD1 . 34237 1 195 . 1 1 24 24 PHE HD2 H 1 7.29 0.01 . 3 . . . . A 25 PHE HD2 . 34237 1 196 . 1 1 24 24 PHE HE1 H 1 7.32 0.01 . 3 . . . . A 25 PHE HE1 . 34237 1 197 . 1 1 24 24 PHE HE2 H 1 7.32 0.01 . 3 . . . . A 25 PHE HE2 . 34237 1 198 . 1 1 25 25 ALA H H 1 7.85 0.01 . 1 . . . . A 26 ALA H . 34237 1 199 . 1 1 25 25 ALA HA H 1 4.36 0.01 . 1 . . . . A 26 ALA HA . 34237 1 200 . 1 1 25 25 ALA HB1 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB1 . 34237 1 201 . 1 1 25 25 ALA HB2 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB2 . 34237 1 202 . 1 1 25 25 ALA HB3 H 1 1.36 0.01 . 1 . . . . A 26 ALA HB3 . 34237 1 203 . 1 1 26 26 LEU H H 1 7.59 0.01 . 1 . . . . A 27 LEU H . 34237 1 204 . 1 1 26 26 LEU HA H 1 4.57 0.01 . 1 . . . . A 27 LEU HA . 34237 1 205 . 1 1 26 26 LEU HB2 H 1 1.67 0.01 . 2 . . . . A 27 LEU HB2 . 34237 1 206 . 1 1 26 26 LEU HB3 H 1 1.64 0.01 . 2 . . . . A 27 LEU HB3 . 34237 1 207 . 1 1 26 26 LEU HG H 1 1.74 0.01 . 1 . . . . A 27 LEU HG . 34237 1 208 . 1 1 26 26 LEU HD11 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD11 . 34237 1 209 . 1 1 26 26 LEU HD12 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD12 . 34237 1 210 . 1 1 26 26 LEU HD13 H 1 1.01 0.01 . 2 . . . . A 27 LEU HD13 . 34237 1 211 . 1 1 26 26 LEU HD21 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD21 . 34237 1 212 . 1 1 26 26 LEU HD22 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD22 . 34237 1 213 . 1 1 26 26 LEU HD23 H 1 0.97 0.01 . 2 . . . . A 27 LEU HD23 . 34237 1 214 . 1 1 27 27 PRO HA H 1 4.33 0.01 . 1 . . . . A 28 PRO HA . 34237 1 215 . 1 1 27 27 PRO HB2 H 1 2.27 0.01 . 2 . . . . A 28 PRO HB2 . 34237 1 216 . 1 1 27 27 PRO HB3 H 1 1.76 0.01 . 2 . . . . A 28 PRO HB3 . 34237 1 217 . 1 1 27 27 PRO HG2 H 1 2.05 0.01 . 1 . . . . A 28 PRO HG2 . 34237 1 218 . 1 1 27 27 PRO HG3 H 1 2.05 0.01 . 1 . . . . A 28 PRO HG3 . 34237 1 219 . 1 1 27 27 PRO HD2 H 1 3.80 0.01 . 2 . . . . A 28 PRO HD2 . 34237 1 220 . 1 1 27 27 PRO HD3 H 1 3.61 0.01 . 2 . . . . A 28 PRO HD3 . 34237 1 221 . 1 1 28 28 GLN H H 1 8.21 0.01 . 1 . . . . A 29 GLN H . 34237 1 222 . 1 1 28 28 GLN HA H 1 4.14 0.01 . 1 . . . . A 29 GLN HA . 34237 1 223 . 1 1 28 28 GLN HB2 H 1 2.02 0.01 . 1 . . . . A 29 GLN HB2 . 34237 1 224 . 1 1 28 28 GLN HB3 H 1 2.02 0.01 . 1 . . . . A 29 GLN HB3 . 34237 1 225 . 1 1 28 28 GLN HG2 H 1 2.27 0.01 . 1 . . . . A 29 GLN HG2 . 34237 1 226 . 1 1 28 28 GLN HG3 H 1 2.27 0.01 . 1 . . . . A 29 GLN HG3 . 34237 1 227 . 1 1 28 28 GLN HE21 H 1 7.27 0.01 . 2 . . . . A 29 GLN HE21 . 34237 1 228 . 1 1 28 28 GLN HE22 H 1 6.48 0.01 . 2 . . . . A 29 GLN HE22 . 34237 1 229 . 1 1 29 29 TYR H H 1 7.66 0.01 . 1 . . . . A 30 TYR H . 34237 1 230 . 1 1 29 29 TYR HA H 1 4.58 0.01 . 1 . . . . A 30 TYR HA . 34237 1 231 . 1 1 29 29 TYR HB2 H 1 3.16 0.01 . 2 . . . . A 30 TYR HB2 . 34237 1 232 . 1 1 29 29 TYR HB3 H 1 3.06 0.01 . 2 . . . . A 30 TYR HB3 . 34237 1 233 . 1 1 29 29 TYR HD1 H 1 7.14 0.01 . 3 . . . . A 30 TYR HD1 . 34237 1 234 . 1 1 29 29 TYR HD2 H 1 7.14 0.01 . 3 . . . . A 30 TYR HD2 . 34237 1 235 . 1 1 29 29 TYR HE1 H 1 6.84 0.01 . 3 . . . . A 30 TYR HE1 . 34237 1 236 . 1 1 29 29 TYR HE2 H 1 6.84 0.01 . 3 . . . . A 30 TYR HE2 . 34237 1 237 . 1 1 30 30 LEU H H 1 7.62 0.01 . 1 . . . . A 31 LEU H . 34237 1 238 . 1 1 30 30 LEU HA H 1 4.39 0.01 . 1 . . . . A 31 LEU HA . 34237 1 239 . 1 1 30 30 LEU HB2 H 1 1.67 0.01 . 2 . . . . A 31 LEU HB2 . 34237 1 240 . 1 1 30 30 LEU HB3 H 1 1.65 0.01 . 2 . . . . A 31 LEU HB3 . 34237 1 241 . 1 1 30 30 LEU HG H 1 1.63 0.01 . 1 . . . . A 31 LEU HG . 34237 1 242 . 1 1 30 30 LEU HD11 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD11 . 34237 1 243 . 1 1 30 30 LEU HD12 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD12 . 34237 1 244 . 1 1 30 30 LEU HD13 H 1 0.93 0.01 . 2 . . . . A 31 LEU HD13 . 34237 1 245 . 1 1 30 30 LEU HD21 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD21 . 34237 1 246 . 1 1 30 30 LEU HD22 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD22 . 34237 1 247 . 1 1 30 30 LEU HD23 H 1 0.96 0.01 . 2 . . . . A 31 LEU HD23 . 34237 1 248 . 1 1 31 31 LYS H H 1 7.67 0.01 . 1 . . . . A 32 LYS H . 34237 1 249 . 1 1 31 31 LYS HA H 1 4.37 0.01 . 1 . . . . A 32 LYS HA . 34237 1 250 . 1 1 31 31 LYS HB2 H 1 1.97 0.01 . 2 . . . . A 32 LYS HB2 . 34237 1 251 . 1 1 31 31 LYS HB3 H 1 1.84 0.01 . 2 . . . . A 32 LYS HB3 . 34237 1 252 . 1 1 31 31 LYS HG2 H 1 1.48 0.01 . 1 . . . . A 32 LYS HG2 . 34237 1 253 . 1 1 31 31 LYS HG3 H 1 1.48 0.01 . 1 . . . . A 32 LYS HG3 . 34237 1 254 . 1 1 31 31 LYS HE2 H 1 2.97 0.01 . 1 . . . . A 32 LYS HE2 . 34237 1 255 . 1 1 31 31 LYS HE3 H 1 2.97 0.01 . 1 . . . . A 32 LYS HE3 . 34237 1 stop_ save_