data_53225 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53225 _Entry.Title ; FRTX2-Cflo1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-06-12 _Entry.Accession_date 2025-06-12 _Entry.Last_release_date 2025-06-12 _Entry.Original_release_date 2025-06-12 _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 _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 Lukas Koch . . . . 53225 2 Timo Niedermeyer . . . . 53225 3 Mario Schubert . . . . 53225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 104 53225 '15N chemical shifts' 29 53225 '1H chemical shifts' 224 53225 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 . . 2026-04-09 . original BMRB . 53225 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53225 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Beyond formic acid: Peptides in carpenter ant venoms aid in disease protection ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lukas Koch . . . . 53225 1 2 Timo Niedermeyer . . . . 53225 1 3 Mario Schubert . . . . 53225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53225 _Assembly.ID 1 _Assembly.Name FRTX2-Cflo1a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 CFLO 1 $entity_1 . . yes native no no . . . 53225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53225 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DLLTEISNFFLHPFEEFLKI FEEILKFFGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 53225 1 2 . LEU . 53225 1 3 . LEU . 53225 1 4 . THR . 53225 1 5 . GLU . 53225 1 6 . ILE . 53225 1 7 . SER . 53225 1 8 . ASN . 53225 1 9 . PHE . 53225 1 10 . PHE . 53225 1 11 . LEU . 53225 1 12 . HIS . 53225 1 13 . PRO . 53225 1 14 . PHE . 53225 1 15 . GLU . 53225 1 16 . GLU . 53225 1 17 . PHE . 53225 1 18 . LEU . 53225 1 19 . LYS . 53225 1 20 . ILE . 53225 1 21 . PHE . 53225 1 22 . GLU . 53225 1 23 . GLU . 53225 1 24 . ILE . 53225 1 25 . LEU . 53225 1 26 . LYS . 53225 1 27 . PHE . 53225 1 28 . PHE . 53225 1 29 . GLY . 53225 1 30 . LEU . 53225 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 . ASP 1 1 53225 1 . LEU 2 2 53225 1 . LEU 3 3 53225 1 . THR 4 4 53225 1 . GLU 5 5 53225 1 . ILE 6 6 53225 1 . SER 7 7 53225 1 . ASN 8 8 53225 1 . PHE 9 9 53225 1 . PHE 10 10 53225 1 . LEU 11 11 53225 1 . HIS 12 12 53225 1 . PRO 13 13 53225 1 . PHE 14 14 53225 1 . GLU 15 15 53225 1 . GLU 16 16 53225 1 . PHE 17 17 53225 1 . LEU 18 18 53225 1 . LYS 19 19 53225 1 . ILE 20 20 53225 1 . PHE 21 21 53225 1 . GLU 22 22 53225 1 . GLU 23 23 53225 1 . ILE 24 24 53225 1 . LEU 25 25 53225 1 . LYS 26 26 53225 1 . PHE 27 27 53225 1 . PHE 28 28 53225 1 . GLY 29 29 53225 1 . LEU 30 30 53225 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53225 _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 . 359642 organism . 'Camponotus nicobarensis' ants . . Eukaryota Metazoa Camponotus nicobarensis . . . . . . . . . . . . . 53225 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53225 _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' . . . . . . . . . . . . . . . . 53225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53225 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 FRTX2-Cflo1a 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 53225 1 2 H2O 'natural abundance' . . . . . . 50 . . % . . . . 53225 1 3 TFE '[U-99% 2H]' . . . . . . 50 . . % . . . . 53225 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 53225 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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 . M 53225 1 pH 7 . pH 53225 1 pressure 1 . atm 53225 1 temperature 298 . K 53225 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53225 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53225 1 processing . 53225 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53225 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53225 2 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 53225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '700 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53225 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 1 7 '2D 1H-1H COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53225 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 53225 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53225 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53225 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53225 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 53225 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list1 _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 '1D 1H' . . . 53225 1 2 '2D 1H-15N HSQC' . . . 53225 1 3 '2D 1H-13C HSQC aliphatic' . . . 53225 1 4 '2D 1H-13C HSQC aromatic' . . . 53225 1 5 '2D 1H-1H NOESY' . . . 53225 1 6 '2D 1H-1H TOCSY' . . . 53225 1 7 '2D 1H-1H COSY' . . . 53225 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53225 1 2 $software_2 . . 53225 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 ASP HA H 1 4.281 0.001 . 1 . . . . . 1 ASP HA . 53225 1 2 . 1 . 1 1 1 ASP HB2 H 1 3.217 0.002 . 2 . . . . . 1 ASP HB2 . 53225 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.996 0.005 . 2 . . . . . 1 ASP HB3 . 53225 1 4 . 1 . 1 2 2 LEU H H 1 8.481 0.003 . 1 . . . . . 2 LEU H . 53225 1 5 . 1 . 1 2 2 LEU HA H 1 4.214 0.003 . 1 . . . . . 2 LEU HA . 53225 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.739 0.005 . 2 . . . . . 2 LEU HB2 . 53225 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.694 0.002 . 2 . . . . . 2 LEU HB3 . 53225 1 8 . 1 . 1 2 2 LEU HG H 1 1.701 0.000 . 1 . . . . . 2 LEU HG . 53225 1 9 . 1 . 1 2 2 LEU HD11 H 1 1.006 0.001 . 2 . . . . . 2 LEU HD1 . 53225 1 10 . 1 . 1 2 2 LEU HD12 H 1 1.006 0.001 . 2 . . . . . 2 LEU HD1 . 53225 1 11 . 1 . 1 2 2 LEU HD13 H 1 1.006 0.001 . 2 . . . . . 2 LEU HD1 . 53225 1 12 . 1 . 1 2 2 LEU HD21 H 1 0.945 0.002 . 2 . . . . . 2 LEU HD2 . 53225 1 13 . 1 . 1 2 2 LEU HD22 H 1 0.945 0.002 . 2 . . . . . 2 LEU HD2 . 53225 1 14 . 1 . 1 2 2 LEU HD23 H 1 0.945 0.002 . 2 . . . . . 2 LEU HD2 . 53225 1 15 . 1 . 1 2 2 LEU CA C 13 58.645 0.000 . 1 . . . . . 2 LEU CA . 53225 1 16 . 1 . 1 2 2 LEU CB C 13 42.289 0.009 . 1 . . . . . 2 LEU CB . 53225 1 17 . 1 . 1 2 2 LEU CG C 13 26.779 0.000 . 1 . . . . . 2 LEU CG . 53225 1 18 . 1 . 1 2 2 LEU CD1 C 13 22.968 0.000 . 2 . . . . . 2 LEU CD1 . 53225 1 19 . 1 . 1 2 2 LEU CD2 C 13 24.126 0.000 . 5 . . . . . 2 LEU CD2 . 53225 1 20 . 1 . 1 2 2 LEU N N 15 121.122 0.000 . 1 . . . . . 2 LEU N . 53225 1 21 . 1 . 1 3 3 LEU H H 1 7.688 0.001 . 1 . . . . . 3 LEU H . 53225 1 22 . 1 . 1 3 3 LEU HA H 1 4.181 0.002 . 1 . . . . . 3 LEU HA . 53225 1 23 . 1 . 1 3 3 LEU HB2 H 1 1.819 0.001 . 2 . . . . . 3 LEU HB2 . 53225 1 24 . 1 . 1 3 3 LEU HB3 H 1 1.754 0.002 . 2 . . . . . 3 LEU HB3 . 53225 1 25 . 1 . 1 3 3 LEU HG H 1 1.709 0.008 . 1 . . . . . 3 LEU HG . 53225 1 26 . 1 . 1 3 3 LEU HD11 H 1 1.001 0.002 . 2 . . . . . 3 LEU HD1 . 53225 1 27 . 1 . 1 3 3 LEU HD12 H 1 1.001 0.002 . 2 . . . . . 3 LEU HD1 . 53225 1 28 . 1 . 1 3 3 LEU HD13 H 1 1.001 0.002 . 2 . . . . . 3 LEU HD1 . 53225 1 29 . 1 . 1 3 3 LEU HD21 H 1 0.945 0.002 . 2 . . . . . 3 LEU HD2 . 53225 1 30 . 1 . 1 3 3 LEU HD22 H 1 0.945 0.002 . 2 . . . . . 3 LEU HD2 . 53225 1 31 . 1 . 1 3 3 LEU HD23 H 1 0.945 0.002 . 2 . . . . . 3 LEU HD2 . 53225 1 32 . 1 . 1 3 3 LEU CA C 13 58.337 0.000 . 1 . . . . . 3 LEU CA . 53225 1 33 . 1 . 1 3 3 LEU CB C 13 41.087 0.003 . 1 . . . . . 3 LEU CB . 53225 1 34 . 1 . 1 3 3 LEU CG C 13 27.279 0.000 . 1 . . . . . 3 LEU CG . 53225 1 35 . 1 . 1 3 3 LEU CD1 C 13 23.432 0.000 . 2 . . . . . 3 LEU CD1 . 53225 1 36 . 1 . 1 3 3 LEU CD2 C 13 23.265 0.000 . 5 . . . . . 3 LEU CD2 . 53225 1 37 . 1 . 1 3 3 LEU N N 15 116.747 0.000 . 1 . . . . . 3 LEU N . 53225 1 38 . 1 . 1 4 4 THR H H 1 8.209 0.001 . 1 . . . . . 4 THR H . 53225 1 39 . 1 . 1 4 4 THR HA H 1 3.941 0.005 . 1 . . . . . 4 THR HA . 53225 1 40 . 1 . 1 4 4 THR HB H 1 4.264 0.001 . 1 . . . . . 4 THR HB . 53225 1 41 . 1 . 1 4 4 THR HG21 H 1 1.316 0.001 . 1 . . . . . 4 THR HG2 . 53225 1 42 . 1 . 1 4 4 THR HG22 H 1 1.316 0.001 . 1 . . . . . 4 THR HG2 . 53225 1 43 . 1 . 1 4 4 THR HG23 H 1 1.316 0.001 . 1 . . . . . 4 THR HG2 . 53225 1 44 . 1 . 1 4 4 THR CA C 13 66.766 0.000 . 1 . . . . . 4 THR CA . 53225 1 45 . 1 . 1 4 4 THR CB C 13 68.466 0.000 . 1 . . . . . 4 THR CB . 53225 1 46 . 1 . 1 4 4 THR CG2 C 13 21.484 0.000 . 1 . . . . . 4 THR CG . 53225 1 47 . 1 . 1 4 4 THR N N 15 116.088 0.000 . 1 . . . . . 4 THR N . 53225 1 48 . 1 . 1 5 5 GLU H H 1 7.816 0.001 . 1 . . . . . 5 GLU H . 53225 1 49 . 1 . 1 5 5 GLU HA H 1 4.174 0.004 . 1 . . . . . 5 GLU HA . 53225 1 50 . 1 . 1 5 5 GLU HB2 H 1 2.340 0.005 . 2 . . . . . 5 GLU HB2 . 53225 1 51 . 1 . 1 5 5 GLU HB3 H 1 2.268 0.001 . 2 . . . . . 5 GLU HB3 . 53225 1 52 . 1 . 1 5 5 GLU HG2 H 1 2.552 0.001 . 1 . . . . . 5 GLU HG . 53225 1 53 . 1 . 1 5 5 GLU HG3 H 1 2.552 0.001 . 1 . . . . . 5 GLU HG . 53225 1 54 . 1 . 1 5 5 GLU CA C 13 59.521 0.000 . 1 . . . . . 5 GLU CA . 53225 1 55 . 1 . 1 5 5 GLU CB C 13 28.149 0.011 . 1 . . . . . 5 GLU CB . 53225 1 56 . 1 . 1 5 5 GLU CG C 13 33.671 0.000 . 1 . . . . . 5 GLU CG . 53225 1 57 . 1 . 1 5 5 GLU N N 15 120.956 0.000 . 1 . . . . . 5 GLU N . 53225 1 58 . 1 . 1 6 6 ILE H H 1 8.654 0.001 . 1 . . . . . 6 ILE H . 53225 1 59 . 1 . 1 6 6 ILE HA H 1 3.953 0.004 . 1 . . . . . 6 ILE HA . 53225 1 60 . 1 . 1 6 6 ILE HB H 1 2.019 0.001 . 1 . . . . . 6 ILE HB . 53225 1 61 . 1 . 1 6 6 ILE HG12 H 1 1.820 0.003 . 2 . . . . . 6 ILE HG12 . 53225 1 62 . 1 . 1 6 6 ILE HG13 H 1 1.292 0.002 . 2 . . . . . 6 ILE HG13 . 53225 1 63 . 1 . 1 6 6 ILE HG21 H 1 1.077 0.001 . 1 . . . . . 6 ILE HG2 . 53225 1 64 . 1 . 1 6 6 ILE HG22 H 1 1.077 0.001 . 1 . . . . . 6 ILE HG2 . 53225 1 65 . 1 . 1 6 6 ILE HG23 H 1 1.077 0.001 . 1 . . . . . 6 ILE HG2 . 53225 1 66 . 1 . 1 6 6 ILE HD11 H 1 0.896 0.007 . 1 . . . . . 6 ILE HD1 . 53225 1 67 . 1 . 1 6 6 ILE HD12 H 1 0.896 0.007 . 1 . . . . . 6 ILE HD1 . 53225 1 68 . 1 . 1 6 6 ILE HD13 H 1 0.896 0.007 . 1 . . . . . 6 ILE HD1 . 53225 1 69 . 1 . 1 6 6 ILE CA C 13 65.060 0.000 . 1 . . . . . 6 ILE CA . 53225 1 70 . 1 . 1 6 6 ILE CB C 13 38.371 0.000 . 1 . . . . . 6 ILE CB . 53225 1 71 . 1 . 1 6 6 ILE CG1 C 13 28.645 0.004 . 1 . . . . . 6 ILE CG1 . 53225 1 72 . 1 . 1 6 6 ILE CG2 C 13 16.906 0.000 . 1 . . . . . 6 ILE CG2 . 53225 1 73 . 1 . 1 6 6 ILE CD1 C 13 12.445 0.000 . 1 . . . . . 6 ILE CD1 . 53225 1 74 . 1 . 1 6 6 ILE N N 15 119.597 0.000 . 1 . . . . . 6 ILE N . 53225 1 75 . 1 . 1 7 7 SER H H 1 8.336 0.001 . 1 . . . . . 7 SER H . 53225 1 76 . 1 . 1 7 7 SER HA H 1 4.302 0.001 . 1 . . . . . 7 SER HA . 53225 1 77 . 1 . 1 7 7 SER HB2 H 1 4.110 0.001 . 2 . . . . . 7 SER HB2 . 53225 1 78 . 1 . 1 7 7 SER HB3 H 1 4.020 0.001 . 2 . . . . . 7 SER HB3 . 53225 1 79 . 1 . 1 7 7 SER CA C 13 62.434 0.000 . 1 . . . . . 7 SER CA . 53225 1 80 . 1 . 1 7 7 SER CB C 13 62.862 0.007 . 1 . . . . . 7 SER CB . 53225 1 81 . 1 . 1 7 7 SER N N 15 115.150 0.000 . 1 . . . . . 7 SER N . 53225 1 82 . 1 . 1 8 8 ASN H H 1 8.096 0.001 . 1 . . . . . 8 ASN H . 53225 1 83 . 1 . 1 8 8 ASN HA H 1 4.571 0.002 . 1 . . . . . 8 ASN HA . 53225 1 84 . 1 . 1 8 8 ASN HB2 H 1 2.971 0.001 . 2 . . . . . 8 ASN HB2 . 53225 1 85 . 1 . 1 8 8 ASN HB3 H 1 2.765 0.001 . 2 . . . . . 8 ASN HB3 . 53225 1 86 . 1 . 1 8 8 ASN HD21 H 1 7.496 0.002 . 2 . . . . . 8 ASN HD21 . 53225 1 87 . 1 . 1 8 8 ASN HD22 H 1 6.714 0.001 . 2 . . . . . 8 ASN HD22 . 53225 1 88 . 1 . 1 8 8 ASN CB C 13 38.927 0.003 . 1 . . . . . 8 ASN CB . 53225 1 89 . 1 . 1 8 8 ASN N N 15 118.514 0.000 . 1 . . . . . 8 ASN N . 53225 1 90 . 1 . 1 8 8 ASN ND2 N 15 111.427 0.014 . 1 . . . . . 8 ASN ND2 . 53225 1 91 . 1 . 1 9 9 PHE H H 1 8.121 0.002 . 1 . . . . . 9 PHE H . 53225 1 92 . 1 . 1 9 9 PHE HA H 1 4.355 0.003 . 1 . . . . . 9 PHE HA . 53225 1 93 . 1 . 1 9 9 PHE HB2 H 1 3.198 0.001 . 1 . . . . . 9 PHE HB . 53225 1 94 . 1 . 1 9 9 PHE HB3 H 1 3.198 0.001 . 1 . . . . . 9 PHE HB . 53225 1 95 . 1 . 1 9 9 PHE HD1 H 1 6.950 0.000 . 1 . . . . . 9 PHE HD1 . 53225 1 96 . 1 . 1 9 9 PHE HE1 H 1 7.212 0.001 . 1 . . . . . 9 PHE HE1 . 53225 1 97 . 1 . 1 9 9 PHE CA C 13 60.980 0.000 . 1 . . . . . 9 PHE CA . 53225 1 98 . 1 . 1 9 9 PHE CB C 13 38.964 0.000 . 1 . . . . . 9 PHE CB . 53225 1 99 . 1 . 1 9 9 PHE CD1 C 13 131.634 0.000 . 1 . . . . . 9 PHE CD1 . 53225 1 100 . 1 . 1 9 9 PHE CE1 C 13 131.016 0.000 . 1 . . . . . 9 PHE CE1 . 53225 1 101 . 1 . 1 9 9 PHE N N 15 119.615 0.000 . 1 . . . . . 9 PHE N . 53225 1 102 . 1 . 1 10 10 PHE H H 1 8.145 0.003 . 1 . . . . . 10 PHE H . 53225 1 103 . 1 . 1 10 10 PHE HA H 1 4.456 0.002 . 1 . . . . . 10 PHE HA . 53225 1 104 . 1 . 1 10 10 PHE HB2 H 1 3.272 0.003 . 2 . . . . . 10 PHE HB2 . 53225 1 105 . 1 . 1 10 10 PHE HB3 H 1 3.172 0.003 . 2 . . . . . 10 PHE HB3 . 53225 1 106 . 1 . 1 10 10 PHE HD1 H 1 7.402 0.001 . 1 . . . . . 10 PHE HD1 . 53225 1 107 . 1 . 1 10 10 PHE CB C 13 39.573 0.002 . 1 . . . . . 10 PHE CB . 53225 1 108 . 1 . 1 10 10 PHE CD1 C 13 131.606 0.000 . 1 . . . . . 10 PHE CD1 . 53225 1 109 . 1 . 1 10 10 PHE N N 15 118.315 0.000 . 5 . . . . . 10 PHE N . 53225 1 110 . 1 . 1 11 11 LEU H H 1 8.187 0.002 . 1 . . . . . 11 LEU H . 53225 1 111 . 1 . 1 11 11 LEU HA H 1 4.466 0.000 . 1 . . . . . 11 LEU HA . 53225 1 112 . 1 . 1 11 11 LEU HB2 H 1 1.877 0.001 . 2 . . . . . 11 LEU HB2 . 53225 1 113 . 1 . 1 11 11 LEU HB3 H 1 1.613 0.002 . 2 . . . . . 11 LEU HB3 . 53225 1 114 . 1 . 1 11 11 LEU HG H 1 1.878 0.002 . 1 . . . . . 11 LEU HG . 53225 1 115 . 1 . 1 11 11 LEU HD11 H 1 0.984 0.005 . 2 . . . . . 11 LEU HD1 . 53225 1 116 . 1 . 1 11 11 LEU HD12 H 1 0.984 0.005 . 2 . . . . . 11 LEU HD1 . 53225 1 117 . 1 . 1 11 11 LEU HD13 H 1 0.984 0.005 . 2 . . . . . 11 LEU HD1 . 53225 1 118 . 1 . 1 11 11 LEU HD21 H 1 0.950 0.002 . 2 . . . . . 11 LEU HD2 . 53225 1 119 . 1 . 1 11 11 LEU HD22 H 1 0.950 0.002 . 2 . . . . . 11 LEU HD2 . 53225 1 120 . 1 . 1 11 11 LEU HD23 H 1 0.950 0.002 . 2 . . . . . 11 LEU HD2 . 53225 1 121 . 1 . 1 11 11 LEU CB C 13 42.648 0.001 . 1 . . . . . 11 LEU CB . 53225 1 122 . 1 . 1 11 11 LEU CG C 13 27.043 0.000 . 1 . . . . . 11 LEU CG . 53225 1 123 . 1 . 1 11 11 LEU CD1 C 13 24.473 0.000 . 2 . . . . . 11 LEU CD1 . 53225 1 124 . 1 . 1 11 11 LEU CD2 C 13 22.348 0.000 . 5 . . . . . 11 LEU CD2 . 53225 1 125 . 1 . 1 11 11 LEU N N 15 116.349 0.000 . 1 . . . . . 11 LEU N . 53225 1 126 . 1 . 1 12 12 HIS H H 1 7.963 0.001 . 1 . . . . . 12 HIS H . 53225 1 127 . 1 . 1 12 12 HIS HA H 1 4.821 0.003 . 1 . . . . . 12 HIS HA . 53225 1 128 . 1 . 1 12 12 HIS HB2 H 1 3.467 0.004 . 2 . . . . . 12 HIS HB2 . 53225 1 129 . 1 . 1 12 12 HIS HB3 H 1 3.315 0.001 . 2 . . . . . 12 HIS HB3 . 53225 1 130 . 1 . 1 12 12 HIS HD2 H 1 7.319 0.001 . 1 . . . . . 12 HIS HD2 . 53225 1 131 . 1 . 1 12 12 HIS HE1 H 1 8.526 0.001 . 1 . . . . . 12 HIS HE1 . 53225 1 132 . 1 . 1 12 12 HIS CA C 13 58.083 0.000 . 1 . . . . . 12 HIS CA . 53225 1 133 . 1 . 1 12 12 HIS CB C 13 27.057 0.010 . 1 . . . . . 12 HIS CB . 53225 1 134 . 1 . 1 12 12 HIS CD2 C 13 120.157 0.000 . 1 . . . . . 12 HIS CD2 . 53225 1 135 . 1 . 1 12 12 HIS CE1 C 13 136.014 0.000 . 1 . . . . . 12 HIS CE1 . 53225 1 136 . 1 . 1 12 12 HIS N N 15 116.545 0.000 . 1 . . . . . 12 HIS N . 53225 1 137 . 1 . 1 13 13 PRO HA H 1 4.278 0.003 . 1 . . . . . 13 PRO HA . 53225 1 138 . 1 . 1 13 13 PRO HB2 H 1 2.226 0.002 . 2 . . . . . 13 PRO HB2 . 53225 1 139 . 1 . 1 13 13 PRO HB3 H 1 1.750 0.002 . 2 . . . . . 13 PRO HB3 . 53225 1 140 . 1 . 1 13 13 PRO HG2 H 1 2.019 0.001 . 2 . . . . . 13 PRO HG2 . 53225 1 141 . 1 . 1 13 13 PRO HG3 H 1 1.938 0.000 . 2 . . . . . 13 PRO HG3 . 53225 1 142 . 1 . 1 13 13 PRO HD2 H 1 3.656 0.002 . 2 . . . . . 13 PRO HD2 . 53225 1 143 . 1 . 1 13 13 PRO HD3 H 1 3.579 0.001 . 2 . . . . . 13 PRO HD3 . 53225 1 144 . 1 . 1 13 13 PRO CA C 13 65.808 0.000 . 1 . . . . . 13 PRO CA . 53225 1 145 . 1 . 1 13 13 PRO CB C 13 30.715 0.002 . 1 . . . . . 13 PRO CB . 53225 1 146 . 1 . 1 13 13 PRO CG C 13 27.847 0.007 . 1 . . . . . 13 PRO CG . 53225 1 147 . 1 . 1 13 13 PRO CD C 13 50.243 0.005 . 1 . . . . . 13 PRO CD . 53225 1 148 . 1 . 1 14 14 PHE H H 1 7.550 0.001 . 1 . . . . . 14 PHE H . 53225 1 149 . 1 . 1 14 14 PHE HA H 1 4.484 0.003 . 1 . . . . . 14 PHE HA . 53225 1 150 . 1 . 1 14 14 PHE HB2 H 1 3.225 0.003 . 1 . . . . . 14 PHE HB . 53225 1 151 . 1 . 1 14 14 PHE HB3 H 1 3.225 0.003 . 1 . . . . . 14 PHE HB . 53225 1 152 . 1 . 1 14 14 PHE HD1 H 1 7.244 0.000 . 1 . . . . . 14 PHE HD1 . 53225 1 153 . 1 . 1 14 14 PHE CB C 13 38.903 0.000 . 1 . . . . . 14 PHE CB . 53225 1 154 . 1 . 1 14 14 PHE CD1 C 13 131.304 0.000 . 1 . . . . . 14 PHE CD1 . 53225 1 155 . 1 . 1 14 14 PHE N N 15 117.082 0.000 . 1 . . . . . 14 PHE N . 53225 1 156 . 1 . 1 15 15 GLU H H 1 8.203 0.001 . 1 . . . . . 15 GLU H . 53225 1 157 . 1 . 1 15 15 GLU HA H 1 3.962 0.004 . 1 . . . . . 15 GLU HA . 53225 1 158 . 1 . 1 15 15 GLU HB2 H 1 2.260 0.002 . 2 . . . . . 15 GLU HB2 . 53225 1 159 . 1 . 1 15 15 GLU HB3 H 1 2.166 0.002 . 2 . . . . . 15 GLU HB3 . 53225 1 160 . 1 . 1 15 15 GLU HG2 H 1 2.617 0.004 . 2 . . . . . 15 GLU HG2 . 53225 1 161 . 1 . 1 15 15 GLU HG3 H 1 2.501 0.002 . 2 . . . . . 15 GLU HG3 . 53225 1 162 . 1 . 1 15 15 GLU CA C 13 59.439 0.000 . 1 . . . . . 15 GLU CA . 53225 1 163 . 1 . 1 15 15 GLU CB C 13 28.076 0.000 . 1 . . . . . 15 GLU CB . 53225 1 164 . 1 . 1 15 15 GLU CG C 13 33.639 0.013 . 1 . . . . . 15 GLU CG . 53225 1 165 . 1 . 1 15 15 GLU N N 15 117.764 0.000 . 1 . . . . . 15 GLU N . 53225 1 166 . 1 . 1 16 16 GLU H H 1 8.018 0.001 . 1 . . . . . 16 GLU H . 53225 1 167 . 1 . 1 16 16 GLU HA H 1 4.094 0.003 . 1 . . . . . 16 GLU HA . 53225 1 168 . 1 . 1 16 16 GLU HB2 H 1 2.077 0.001 . 1 . . . . . 16 GLU HB . 53225 1 169 . 1 . 1 16 16 GLU HB3 H 1 2.077 0.001 . 1 . . . . . 16 GLU HB . 53225 1 170 . 1 . 1 16 16 GLU HG2 H 1 2.335 0.002 . 1 . . . . . 16 GLU HG . 53225 1 171 . 1 . 1 16 16 GLU HG3 H 1 2.335 0.002 . 1 . . . . . 16 GLU HG . 53225 1 172 . 1 . 1 16 16 GLU CA C 13 58.888 0.000 . 1 . . . . . 16 GLU CA . 53225 1 173 . 1 . 1 16 16 GLU CB C 13 27.972 0.000 . 1 . . . . . 16 GLU CB . 53225 1 174 . 1 . 1 16 16 GLU CG C 13 33.106 0.000 . 1 . . . . . 16 GLU CG . 53225 1 175 . 1 . 1 16 16 GLU N N 15 117.348 0.000 . 1 . . . . . 16 GLU N . 53225 1 176 . 1 . 1 17 17 PHE H H 1 7.924 0.003 . 1 . . . . . 17 PHE H . 53225 1 177 . 1 . 1 17 17 PHE HA H 1 4.296 0.003 . 1 . . . . . 17 PHE HA . 53225 1 178 . 1 . 1 17 17 PHE HB2 H 1 3.227 0.004 . 1 . . . . . 17 PHE HB . 53225 1 179 . 1 . 1 17 17 PHE HB3 H 1 3.227 0.004 . 1 . . . . . 17 PHE HB . 53225 1 180 . 1 . 1 17 17 PHE HD1 H 1 7.147 0.002 . 1 . . . . . 17 PHE HD1 . 53225 1 181 . 1 . 1 17 17 PHE CA C 13 61.091 0.000 . 1 . . . . . 17 PHE CA . 53225 1 182 . 1 . 1 17 17 PHE CB C 13 38.579 0.000 . 1 . . . . . 17 PHE CB . 53225 1 183 . 1 . 1 17 17 PHE CD1 C 13 131.493 0.000 . 1 . . . . . 17 PHE CD1 . 53225 1 184 . 1 . 1 17 17 PHE N N 15 119.114 0.000 . 1 . . . . . 17 PHE N . 53225 1 185 . 1 . 1 18 18 LEU H H 1 8.165 0.002 . 1 . . . . . 18 LEU H . 53225 1 186 . 1 . 1 18 18 LEU HA H 1 3.973 0.002 . 1 . . . . . 18 LEU HA . 53225 1 187 . 1 . 1 18 18 LEU HB2 H 1 1.770 0.002 . 2 . . . . . 18 LEU HB2 . 53225 1 188 . 1 . 1 18 18 LEU HB3 H 1 1.585 0.004 . 2 . . . . . 18 LEU HB3 . 53225 1 189 . 1 . 1 18 18 LEU HG H 1 1.692 0.002 . 1 . . . . . 18 LEU HG . 53225 1 190 . 1 . 1 18 18 LEU HD11 H 1 0.924 0.000 . 2 . . . . . 18 LEU HD1 . 53225 1 191 . 1 . 1 18 18 LEU HD12 H 1 0.924 0.000 . 2 . . . . . 18 LEU HD1 . 53225 1 192 . 1 . 1 18 18 LEU HD13 H 1 0.924 0.000 . 2 . . . . . 18 LEU HD1 . 53225 1 193 . 1 . 1 18 18 LEU HD21 H 1 0.919 0.005 . 2 . . . . . 18 LEU HD2 . 53225 1 194 . 1 . 1 18 18 LEU HD22 H 1 0.919 0.005 . 2 . . . . . 18 LEU HD2 . 53225 1 195 . 1 . 1 18 18 LEU HD23 H 1 0.919 0.005 . 2 . . . . . 18 LEU HD2 . 53225 1 196 . 1 . 1 18 18 LEU CA C 13 58.152 0.000 . 1 . . . . . 18 LEU CA . 53225 1 197 . 1 . 1 18 18 LEU CB C 13 41.718 0.019 . 1 . . . . . 18 LEU CB . 53225 1 198 . 1 . 1 18 18 LEU CG C 13 27.154 0.000 . 1 . . . . . 18 LEU CG . 53225 1 199 . 1 . 1 18 18 LEU CD1 C 13 24.329 0.000 . 2 . . . . . 18 LEU CD1 . 53225 1 200 . 1 . 1 18 18 LEU CD2 C 13 22.801 0.000 . 2 . . . . . 18 LEU CD2 . 53225 1 201 . 1 . 1 18 18 LEU N N 15 118.924 0.000 . 1 . . . . . 18 LEU N . 53225 1 202 . 1 . 1 19 19 LYS H H 1 7.717 0.001 . 1 . . . . . 19 LYS H . 53225 1 203 . 1 . 1 19 19 LYS HA H 1 4.047 0.002 . 1 . . . . . 19 LYS HA . 53225 1 204 . 1 . 1 19 19 LYS HB2 H 1 2.005 0.003 . 1 . . . . . 19 LYS HB . 53225 1 205 . 1 . 1 19 19 LYS HB3 H 1 2.005 0.003 . 1 . . . . . 19 LYS HB . 53225 1 206 . 1 . 1 19 19 LYS HG2 H 1 1.646 0.000 . 2 . . . . . 19 LYS HG2 . 53225 1 207 . 1 . 1 19 19 LYS HG3 H 1 1.494 0.005 . 2 . . . . . 19 LYS HG3 . 53225 1 208 . 1 . 1 19 19 LYS HD2 H 1 1.754 0.002 . 1 . . . . . 19 LYS HD . 53225 1 209 . 1 . 1 19 19 LYS HD3 H 1 1.754 0.002 . 1 . . . . . 19 LYS HD . 53225 1 210 . 1 . 1 19 19 LYS HE2 H 1 3.008 0.001 . 1 . . . . . 19 LYS HE . 53225 1 211 . 1 . 1 19 19 LYS HE3 H 1 3.008 0.001 . 1 . . . . . 19 LYS HE . 53225 1 212 . 1 . 1 19 19 LYS CA C 13 59.501 0.000 . 1 . . . . . 19 LYS CA . 53225 1 213 . 1 . 1 19 19 LYS CB C 13 32.121 0.000 . 1 . . . . . 19 LYS CB . 53225 1 214 . 1 . 1 19 19 LYS CG C 13 24.895 0.011 . 1 . . . . . 19 LYS CG . 53225 1 215 . 1 . 1 19 19 LYS CD C 13 29.156 0.000 . 1 . . . . . 19 LYS CD . 53225 1 216 . 1 . 1 19 19 LYS CE C 13 42.242 0.000 . 1 . . . . . 19 LYS CE . 53225 1 217 . 1 . 1 19 19 LYS N N 15 117.543 0.000 . 1 . . . . . 19 LYS N . 53225 1 218 . 1 . 1 20 20 ILE H H 1 7.749 0.003 . 1 . . . . . 20 ILE H . 53225 1 219 . 1 . 1 20 20 ILE HA H 1 3.787 0.001 . 1 . . . . . 20 ILE HA . 53225 1 220 . 1 . 1 20 20 ILE HB H 1 1.968 0.003 . 1 . . . . . 20 ILE HB . 53225 1 221 . 1 . 1 20 20 ILE HG12 H 1 1.775 0.008 . 2 . . . . . 20 ILE HG12 . 53225 1 222 . 1 . 1 20 20 ILE HG13 H 1 1.183 0.002 . 2 . . . . . 20 ILE HG13 . 53225 1 223 . 1 . 1 20 20 ILE HG21 H 1 0.917 0.002 . 1 . . . . . 20 ILE HG2 . 53225 1 224 . 1 . 1 20 20 ILE HG22 H 1 0.917 0.002 . 1 . . . . . 20 ILE HG2 . 53225 1 225 . 1 . 1 20 20 ILE HG23 H 1 0.917 0.002 . 1 . . . . . 20 ILE HG2 . 53225 1 226 . 1 . 1 20 20 ILE HD11 H 1 0.907 0.006 . 1 . . . . . 20 ILE HD1 . 53225 1 227 . 1 . 1 20 20 ILE HD12 H 1 0.907 0.006 . 1 . . . . . 20 ILE HD1 . 53225 1 228 . 1 . 1 20 20 ILE HD13 H 1 0.907 0.006 . 1 . . . . . 20 ILE HD1 . 53225 1 229 . 1 . 1 20 20 ILE CA C 13 64.771 0.000 . 1 . . . . . 20 ILE CA . 53225 1 230 . 1 . 1 20 20 ILE CB C 13 38.031 0.000 . 1 . . . . . 20 ILE CB . 53225 1 231 . 1 . 1 20 20 ILE CG1 C 13 28.678 0.025 . 1 . . . . . 20 ILE CG1 . 53225 1 232 . 1 . 1 20 20 ILE CG2 C 13 16.510 0.000 . 1 . . . . . 20 ILE CG2 . 53225 1 233 . 1 . 1 20 20 ILE CD1 C 13 12.342 0.000 . 1 . . . . . 20 ILE CD1 . 53225 1 234 . 1 . 1 20 20 ILE N N 15 119.721 0.000 . 1 . . . . . 20 ILE N . 53225 1 235 . 1 . 1 21 21 PHE H H 1 8.579 0.002 . 1 . . . . . 21 PHE H . 53225 1 236 . 1 . 1 21 21 PHE HA H 1 4.227 0.003 . 1 . . . . . 21 PHE HA . 53225 1 237 . 1 . 1 21 21 PHE HB2 H 1 2.983 0.001 . 2 . . . . . 21 PHE HB2 . 53225 1 238 . 1 . 1 21 21 PHE HB3 H 1 2.834 0.001 . 2 . . . . . 21 PHE HB3 . 53225 1 239 . 1 . 1 21 21 PHE HD1 H 1 7.122 0.003 . 1 . . . . . 21 PHE HD1 . 53225 1 240 . 1 . 1 21 21 PHE HE1 H 1 7.267 0.001 . 1 . . . . . 21 PHE HE1 . 53225 1 241 . 1 . 1 21 21 PHE HZ H 1 7.227 0.000 . 1 . . . . . 21 PHE HZ . 53225 1 242 . 1 . 1 21 21 PHE CA C 13 60.882 0.000 . 1 . . . . . 21 PHE CA . 53225 1 243 . 1 . 1 21 21 PHE CB C 13 39.070 0.000 . 1 . . . . . 21 PHE CB . 53225 1 244 . 1 . 1 21 21 PHE CD1 C 13 131.082 0.000 . 1 . . . . . 21 PHE CD1 . 53225 1 245 . 1 . 1 21 21 PHE CE1 C 13 130.891 0.000 . 1 . . . . . 21 PHE CE1 . 53225 1 246 . 1 . 1 21 21 PHE N N 15 120.852 0.000 . 1 . . . . . 21 PHE N . 53225 1 247 . 1 . 1 22 22 GLU H H 1 8.428 0.001 . 1 . . . . . 22 GLU H . 53225 1 248 . 1 . 1 22 22 GLU HA H 1 3.885 0.002 . 1 . . . . . 22 GLU HA . 53225 1 249 . 1 . 1 22 22 GLU HB2 H 1 2.310 0.001 . 2 . . . . . 22 GLU HB2 . 53225 1 250 . 1 . 1 22 22 GLU HB3 H 1 2.158 0.003 . 2 . . . . . 22 GLU HB3 . 53225 1 251 . 1 . 1 22 22 GLU HG2 H 1 2.743 0.000 . 2 . . . . . 22 GLU HG2 . 53225 1 252 . 1 . 1 22 22 GLU HG3 H 1 2.495 0.001 . 2 . . . . . 22 GLU HG3 . 53225 1 253 . 1 . 1 22 22 GLU CA C 13 59.361 0.000 . 1 . . . . . 22 GLU CA . 53225 1 254 . 1 . 1 22 22 GLU CB C 13 28.079 0.007 . 1 . . . . . 22 GLU CB . 53225 1 255 . 1 . 1 22 22 GLU CG C 13 33.508 0.007 . 1 . . . . . 22 GLU CG . 53225 1 256 . 1 . 1 22 22 GLU N N 15 115.298 0.000 . 1 . . . . . 22 GLU N . 53225 1 257 . 1 . 1 23 23 GLU H H 1 7.860 0.002 . 1 . . . . . 23 GLU H . 53225 1 258 . 1 . 1 23 23 GLU HA H 1 4.097 0.002 . 1 . . . . . 23 GLU HA . 53225 1 259 . 1 . 1 23 23 GLU HB2 H 1 2.412 0.000 . 2 . . . . . 23 GLU HB2 . 53225 1 260 . 1 . 1 23 23 GLU HB3 H 1 2.223 0.001 . 2 . . . . . 23 GLU HB3 . 53225 1 261 . 1 . 1 23 23 GLU HG2 H 1 2.630 0.000 . 2 . . . . . 23 GLU HG2 . 53225 1 262 . 1 . 1 23 23 GLU HG3 H 1 2.550 0.001 . 2 . . . . . 23 GLU HG3 . 53225 1 263 . 1 . 1 23 23 GLU CB C 13 27.861 0.023 . 1 . . . . . 23 GLU CB . 53225 1 264 . 1 . 1 23 23 GLU CG C 13 33.306 0.001 . 1 . . . . . 23 GLU CG . 53225 1 265 . 1 . 1 23 23 GLU N N 15 118.368 0.000 . 1 . . . . . 23 GLU N . 53225 1 266 . 1 . 1 24 24 ILE H H 1 8.251 0.003 . 1 . . . . . 24 ILE H . 53225 1 267 . 1 . 1 24 24 ILE HA H 1 3.781 0.001 . 1 . . . . . 24 ILE HA . 53225 1 268 . 1 . 1 24 24 ILE HB H 1 2.069 0.002 . 1 . . . . . 24 ILE HB . 53225 1 269 . 1 . 1 24 24 ILE HG12 H 1 1.838 0.001 . 2 . . . . . 24 ILE HG12 . 53225 1 270 . 1 . 1 24 24 ILE HG13 H 1 1.156 0.005 . 2 . . . . . 24 ILE HG13 . 53225 1 271 . 1 . 1 24 24 ILE HG21 H 1 1.004 0.001 . 1 . . . . . 24 ILE HG2 . 53225 1 272 . 1 . 1 24 24 ILE HG22 H 1 1.004 0.001 . 1 . . . . . 24 ILE HG2 . 53225 1 273 . 1 . 1 24 24 ILE HG23 H 1 1.004 0.001 . 1 . . . . . 24 ILE HG2 . 53225 1 274 . 1 . 1 24 24 ILE HD11 H 1 0.888 0.002 . 1 . . . . . 24 ILE HD1 . 53225 1 275 . 1 . 1 24 24 ILE HD12 H 1 0.888 0.002 . 1 . . . . . 24 ILE HD1 . 53225 1 276 . 1 . 1 24 24 ILE HD13 H 1 0.888 0.002 . 1 . . . . . 24 ILE HD1 . 53225 1 277 . 1 . 1 24 24 ILE CA C 13 65.327 0.000 . 1 . . . . . 24 ILE CA . 53225 1 278 . 1 . 1 24 24 ILE CB C 13 37.851 0.000 . 1 . . . . . 24 ILE CB . 53225 1 279 . 1 . 1 24 24 ILE CG1 C 13 28.665 0.014 . 1 . . . . . 24 ILE CG1 . 53225 1 280 . 1 . 1 24 24 ILE CG2 C 13 16.785 0.000 . 1 . . . . . 24 ILE CG2 . 53225 1 281 . 1 . 1 24 24 ILE CD1 C 13 12.515 0.000 . 1 . . . . . 24 ILE CD1 . 53225 1 282 . 1 . 1 24 24 ILE N N 15 121.713 0.000 . 1 . . . . . 24 ILE N . 53225 1 283 . 1 . 1 25 25 LEU H H 1 8.145 0.001 . 1 . . . . . 25 LEU H . 53225 1 284 . 1 . 1 25 25 LEU HA H 1 4.054 0.004 . 1 . . . . . 25 LEU HA . 53225 1 285 . 1 . 1 25 25 LEU HB2 H 1 1.761 0.002 . 2 . . . . . 25 LEU HB2 . 53225 1 286 . 1 . 1 25 25 LEU HB3 H 1 1.383 0.002 . 2 . . . . . 25 LEU HB3 . 53225 1 287 . 1 . 1 25 25 LEU HG H 1 1.490 0.001 . 1 . . . . . 25 LEU HG . 53225 1 288 . 1 . 1 25 25 LEU HD11 H 1 0.748 0.001 . 2 . . . . . 25 LEU HD1 . 53225 1 289 . 1 . 1 25 25 LEU HD12 H 1 0.748 0.001 . 2 . . . . . 25 LEU HD1 . 53225 1 290 . 1 . 1 25 25 LEU HD13 H 1 0.748 0.001 . 2 . . . . . 25 LEU HD1 . 53225 1 291 . 1 . 1 25 25 LEU HD21 H 1 0.669 0.001 . 2 . . . . . 25 LEU HD2 . 53225 1 292 . 1 . 1 25 25 LEU HD22 H 1 0.669 0.001 . 2 . . . . . 25 LEU HD2 . 53225 1 293 . 1 . 1 25 25 LEU HD23 H 1 0.669 0.001 . 2 . . . . . 25 LEU HD2 . 53225 1 294 . 1 . 1 25 25 LEU CA C 13 58.385 0.000 . 1 . . . . . 25 LEU CA . 53225 1 295 . 1 . 1 25 25 LEU CB C 13 41.310 0.044 . 1 . . . . . 25 LEU CB . 53225 1 296 . 1 . 1 25 25 LEU CG C 13 26.518 0.000 . 1 . . . . . 25 LEU CG . 53225 1 297 . 1 . 1 25 25 LEU CD1 C 13 22.126 0.000 . 2 . . . . . 25 LEU CD1 . 53225 1 298 . 1 . 1 25 25 LEU CD2 C 13 24.804 0.000 . 2 . . . . . 25 LEU CD2 . 53225 1 299 . 1 . 1 25 25 LEU N N 15 116.837 0.000 . 5 . . . . . 25 LEU N . 53225 1 300 . 1 . 1 26 26 LYS H H 1 7.839 0.001 . 1 . . . . . 26 LYS H . 53225 1 301 . 1 . 1 26 26 LYS HA H 1 4.113 0.005 . 1 . . . . . 26 LYS HA . 53225 1 302 . 1 . 1 26 26 LYS HB2 H 1 1.961 0.001 . 2 . . . . . 26 LYS HB2 . 53225 1 303 . 1 . 1 26 26 LYS HB3 H 1 1.886 0.001 . 2 . . . . . 26 LYS HB3 . 53225 1 304 . 1 . 1 26 26 LYS HG2 H 1 1.558 0.002 . 2 . . . . . 26 LYS HG2 . 53225 1 305 . 1 . 1 26 26 LYS HG3 H 1 1.448 0.002 . 2 . . . . . 26 LYS HG3 . 53225 1 306 . 1 . 1 26 26 LYS HD2 H 1 1.703 0.000 . 1 . . . . . 26 LYS HD . 53225 1 307 . 1 . 1 26 26 LYS HD3 H 1 1.703 0.000 . 1 . . . . . 26 LYS HD . 53225 1 308 . 1 . 1 26 26 LYS HE2 H 1 2.978 0.001 . 1 . . . . . 26 LYS HE . 53225 1 309 . 1 . 1 26 26 LYS HE3 H 1 2.978 0.001 . 1 . . . . . 26 LYS HE . 53225 1 310 . 1 . 1 26 26 LYS CA C 13 58.962 0.000 . 1 . . . . . 26 LYS CA . 53225 1 311 . 1 . 1 26 26 LYS CB C 13 31.983 0.015 . 1 . . . . . 26 LYS CB . 53225 1 312 . 1 . 1 26 26 LYS CG C 13 24.802 0.005 . 1 . . . . . 26 LYS CG . 53225 1 313 . 1 . 1 26 26 LYS CD C 13 29.024 0.000 . 1 . . . . . 26 LYS CD . 53225 1 314 . 1 . 1 26 26 LYS CE C 13 42.217 0.000 . 1 . . . . . 26 LYS CE . 53225 1 315 . 1 . 1 26 26 LYS N N 15 117.690 0.000 . 1 . . . . . 26 LYS N . 53225 1 316 . 1 . 1 27 27 PHE H H 1 8.265 0.002 . 1 . . . . . 27 PHE H . 53225 1 317 . 1 . 1 27 27 PHE HA H 1 4.226 0.001 . 1 . . . . . 27 PHE HA . 53225 1 318 . 1 . 1 27 27 PHE HB2 H 1 3.106 0.001 . 1 . . . . . 27 PHE HB . 53225 1 319 . 1 . 1 27 27 PHE HB3 H 1 3.106 0.001 . 1 . . . . . 27 PHE HB . 53225 1 320 . 1 . 1 27 27 PHE HD1 H 1 6.832 0.001 . 1 . . . . . 27 PHE HD1 . 53225 1 321 . 1 . 1 27 27 PHE HE1 H 1 7.159 0.000 . 1 . . . . . 27 PHE HE1 . 53225 1 322 . 1 . 1 27 27 PHE CA C 13 60.977 0.000 . 1 . . . . . 27 PHE CA . 53225 1 323 . 1 . 1 27 27 PHE CB C 13 38.664 0.000 . 1 . . . . . 27 PHE CB . 53225 1 324 . 1 . 1 27 27 PHE CD1 C 13 131.668 0.000 . 1 . . . . . 27 PHE CD1 . 53225 1 325 . 1 . 1 27 27 PHE CE1 C 13 130.788 0.000 . 1 . . . . . 27 PHE CE1 . 53225 1 326 . 1 . 1 27 27 PHE N N 15 121.393 0.000 . 1 . . . . . 27 PHE N . 53225 1 327 . 1 . 1 28 28 PHE H H 1 7.944 0.001 . 1 . . . . . 28 PHE H . 53225 1 328 . 1 . 1 28 28 PHE HA H 1 4.547 0.002 . 1 . . . . . 28 PHE HA . 53225 1 329 . 1 . 1 28 28 PHE HB2 H 1 3.479 0.007 . 1 . . . . . 28 PHE HB2 . 53225 1 330 . 1 . 1 28 28 PHE HB3 H 1 3.004 0.002 . 1 . . . . . 28 PHE HB3 . 53225 1 331 . 1 . 1 28 28 PHE HD1 H 1 7.462 0.001 . 1 . . . . . 28 PHE HD1 . 53225 1 332 . 1 . 1 28 28 PHE HE1 H 1 7.362 0.001 . 1 . . . . . 28 PHE HE1 . 53225 1 333 . 1 . 1 28 28 PHE CB C 13 39.435 0.043 . 1 . . . . . 28 PHE CB . 53225 1 334 . 1 . 1 28 28 PHE CD1 C 13 131.724 0.000 . 1 . . . . . 28 PHE CD1 . 53225 1 335 . 1 . 1 28 28 PHE CE1 C 13 131.117 0.000 . 1 . . . . . 28 PHE CE1 . 53225 1 336 . 1 . 1 28 28 PHE N N 15 115.510 0.000 . 1 . . . . . 28 PHE N . 53225 1 337 . 1 . 1 29 29 GLY H H 1 7.970 0.001 . 1 . . . . . 29 GLY H . 53225 1 338 . 1 . 1 29 29 GLY HA2 H 1 4.145 0.005 . 2 . . . . . 29 GLY HA2 . 53225 1 339 . 1 . 1 29 29 GLY HA3 H 1 3.868 0.002 . 2 . . . . . 29 GLY HA3 . 53225 1 340 . 1 . 1 29 29 GLY CA C 13 45.645 0.004 . 1 . . . . . 29 GLY CA . 53225 1 341 . 1 . 1 29 29 GLY N N 15 107.289 0.000 . 1 . . . . . 29 GLY N . 53225 1 342 . 1 . 1 30 30 LEU H H 1 7.921 0.002 . 1 . . . . . 30 LEU H . 53225 1 343 . 1 . 1 30 30 LEU HA H 1 4.535 0.001 . 1 . . . . . 30 LEU HA . 53225 1 344 . 1 . 1 30 30 LEU HB2 H 1 1.718 0.001 . 2 . . . . . 30 LEU HB2 . 53225 1 345 . 1 . 1 30 30 LEU HB3 H 1 1.679 0.003 . 2 . . . . . 30 LEU HB3 . 53225 1 346 . 1 . 1 30 30 LEU HG H 1 1.683 0.007 . 1 . . . . . 30 LEU HG . 53225 1 347 . 1 . 1 30 30 LEU HD11 H 1 0.952 0.008 . 2 . . . . . 30 LEU HD1 . 53225 1 348 . 1 . 1 30 30 LEU HD12 H 1 0.952 0.008 . 2 . . . . . 30 LEU HD1 . 53225 1 349 . 1 . 1 30 30 LEU HD13 H 1 0.952 0.008 . 2 . . . . . 30 LEU HD1 . 53225 1 350 . 1 . 1 30 30 LEU HD21 H 1 0.922 0.001 . 2 . . . . . 30 LEU HD2 . 53225 1 351 . 1 . 1 30 30 LEU HD22 H 1 0.922 0.001 . 2 . . . . . 30 LEU HD2 . 53225 1 352 . 1 . 1 30 30 LEU HD23 H 1 0.922 0.001 . 2 . . . . . 30 LEU HD2 . 53225 1 353 . 1 . 1 30 30 LEU CB C 13 42.884 0.011 . 1 . . . . . 30 LEU CB . 53225 1 354 . 1 . 1 30 30 LEU CG C 13 27.216 0.000 . 1 . . . . . 30 LEU CG . 53225 1 355 . 1 . 1 30 30 LEU CD1 C 13 24.637 0.000 . 5 . . . . . 30 LEU CD1 . 53225 1 356 . 1 . 1 30 30 LEU CD2 C 13 22.645 0.000 . 5 . . . . . 30 LEU CD2 . 53225 1 357 . 1 . 1 30 30 LEU N N 15 121.906 0.000 . 1 . . . . . 30 LEU N . 53225 1 stop_ save_