data_26062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26062 _Entry.Title ; Solution structure of the toxin ISTX-I from Ixodes scapularis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-01 _Entry.Accession_date 2016-06-01 _Entry.Last_release_date 2016-06-08 _Entry.Original_release_date 2016-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Kaifeng Hu . . . . 26062 2 Jiangxin Liu . . . . 26062 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26062 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'toxin peptide' . 26062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 26062 '1H chemical shifts' 277 26062 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-06-05 . original BMRB . 26062 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NDI 'BMRB Entry Tracking System' 26062 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/srep29691 _Citation.PubMed_ID 27407029 _Citation.Full_citation . _Citation.Title ; A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 29691 _Citation.Page_last 29691 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mingqiang Rong M. . . . 26062 1 2 Jiangxin Liu J. . . . 26062 1 3 Meilin Zhang M. . . . 26062 1 4 Gan Wang G. . . . 26062 1 5 Gang Zhao G. . . . 26062 1 6 Guodong Wang G. . . . 26062 1 7 Yaping Zhang Y. . . . 26062 1 8 Kaifeng Hu K. . . . 26062 1 9 Ren Lai R. . . . 26062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26062 _Assembly.ID 1 _Assembly.Name 'toxin ISTX-I from Ixodes scapularis' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 26062 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 15 15 SG . . . . . . . . . . 26062 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . 26062 1 3 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . 26062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLCSENGDCAADECCVDTVF EGDMVTRSCEKTTGNFTECP GLTPIA ; _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 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4793.292 _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 . GLY . 26062 1 2 . LEU . 26062 1 3 . CYS . 26062 1 4 . SER . 26062 1 5 . GLU . 26062 1 6 . ASN . 26062 1 7 . GLY . 26062 1 8 . ASP . 26062 1 9 . CYS . 26062 1 10 . ALA . 26062 1 11 . ALA . 26062 1 12 . ASP . 26062 1 13 . GLU . 26062 1 14 . CYS . 26062 1 15 . CYS . 26062 1 16 . VAL . 26062 1 17 . ASP . 26062 1 18 . THR . 26062 1 19 . VAL . 26062 1 20 . PHE . 26062 1 21 . GLU . 26062 1 22 . GLY . 26062 1 23 . ASP . 26062 1 24 . MET . 26062 1 25 . VAL . 26062 1 26 . THR . 26062 1 27 . ARG . 26062 1 28 . SER . 26062 1 29 . CYS . 26062 1 30 . GLU . 26062 1 31 . LYS . 26062 1 32 . THR . 26062 1 33 . THR . 26062 1 34 . GLY . 26062 1 35 . ASN . 26062 1 36 . PHE . 26062 1 37 . THR . 26062 1 38 . GLU . 26062 1 39 . CYS . 26062 1 40 . PRO . 26062 1 41 . GLY . 26062 1 42 . LEU . 26062 1 43 . THR . 26062 1 44 . PRO . 26062 1 45 . ILE . 26062 1 46 . ALA . 26062 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 26062 1 . LEU 2 2 26062 1 . CYS 3 3 26062 1 . SER 4 4 26062 1 . GLU 5 5 26062 1 . ASN 6 6 26062 1 . GLY 7 7 26062 1 . ASP 8 8 26062 1 . CYS 9 9 26062 1 . ALA 10 10 26062 1 . ALA 11 11 26062 1 . ASP 12 12 26062 1 . GLU 13 13 26062 1 . CYS 14 14 26062 1 . CYS 15 15 26062 1 . VAL 16 16 26062 1 . ASP 17 17 26062 1 . THR 18 18 26062 1 . VAL 19 19 26062 1 . PHE 20 20 26062 1 . GLU 21 21 26062 1 . GLY 22 22 26062 1 . ASP 23 23 26062 1 . MET 24 24 26062 1 . VAL 25 25 26062 1 . THR 26 26 26062 1 . ARG 27 27 26062 1 . SER 28 28 26062 1 . CYS 29 29 26062 1 . GLU 30 30 26062 1 . LYS 31 31 26062 1 . THR 32 32 26062 1 . THR 33 33 26062 1 . GLY 34 34 26062 1 . ASN 35 35 26062 1 . PHE 36 36 26062 1 . THR 37 37 26062 1 . GLU 38 38 26062 1 . CYS 39 39 26062 1 . PRO 40 40 26062 1 . GLY 41 41 26062 1 . LEU 42 42 26062 1 . THR 43 43 26062 1 . PRO 44 44 26062 1 . ILE 45 45 26062 1 . ALA 46 46 26062 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 26062 _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 . 6945 organism . 'Ixodes scapularis' 'black-legged tick' . . Eukaryota Metazoa Ixodes scapularis . . . . . . . . . . . . . 26062 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 26062 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET-32a (+)' . . . 26062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26062 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ISTX-I 'natural abundance' . . 1 $entity . . 1 . . mM . . . . 26062 1 2 ISTX-I 'natural abundance' . . 1 $entity . . 8 . . mM . . . . 26062 1 3 MES 'natural abundance' . . . . . . 10 . . mM . . . . 26062 1 4 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 26062 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 26062 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 26062 1 pH 5.7 . pH 26062 1 pressure 1 . atm 26062 1 temperature 298 . K 26062 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 26062 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 26062 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26062 1 'structure solution' 26062 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26062 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26062 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 26062 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26062 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26062 1 3 '2D TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26062 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26062 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26062 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26062 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26062 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 26062 1 2 '2D 1H-1H NOESY' . . . 26062 1 3 '2D TOCSY-HSQC' . . . 26062 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.714 . . 1 . . . A 1 GLY H1 . 26062 1 2 . 1 1 1 1 GLY HA2 H 1 3.785 . . 1 . . . A 1 GLY HA2 . 26062 1 3 . 1 1 1 1 GLY HA3 H 1 3.785 . . 1 . . . A 1 GLY HA3 . 26062 1 4 . 1 1 1 1 GLY CA C 13 45.182 . . 1 . . . A 1 GLY CA . 26062 1 5 . 1 1 2 2 LEU H H 1 8.436 . . 1 . . . A 2 LEU H . 26062 1 6 . 1 1 2 2 LEU HA H 1 4.577 . . 1 . . . A 2 LEU HA . 26062 1 7 . 1 1 2 2 LEU HB2 H 1 1.613 . . 1 . . . A 2 LEU HB2 . 26062 1 8 . 1 1 2 2 LEU HB3 H 1 1.574 . . 1 . . . A 2 LEU HB3 . 26062 1 9 . 1 1 2 2 LEU HG H 1 1.623 . . 1 . . . A 2 LEU HG . 26062 1 10 . 1 1 2 2 LEU HD11 H 1 0.798 . . 1 . . . A 2 LEU HD11 . 26062 1 11 . 1 1 2 2 LEU HD12 H 1 0.798 . . 1 . . . A 2 LEU HD12 . 26062 1 12 . 1 1 2 2 LEU HD13 H 1 0.798 . . 1 . . . A 2 LEU HD13 . 26062 1 13 . 1 1 2 2 LEU HD21 H 1 0.850 . . 1 . . . A 2 LEU HD21 . 26062 1 14 . 1 1 2 2 LEU HD22 H 1 0.850 . . 1 . . . A 2 LEU HD22 . 26062 1 15 . 1 1 2 2 LEU HD23 H 1 0.850 . . 1 . . . A 2 LEU HD23 . 26062 1 16 . 1 1 2 2 LEU CA C 13 55.390 . . 1 . . . A 2 LEU CA . 26062 1 17 . 1 1 2 2 LEU CB C 13 42.546 . . 1 . . . A 2 LEU CB . 26062 1 18 . 1 1 2 2 LEU CG C 13 27.087 . . 1 . . . A 2 LEU CG . 26062 1 19 . 1 1 2 2 LEU CD1 C 13 23.024 . . 1 . . . A 2 LEU CD1 . 26062 1 20 . 1 1 2 2 LEU CD2 C 13 25.087 . . 1 . . . A 2 LEU CD2 . 26062 1 21 . 1 1 3 3 CYS H H 1 7.923 . . 1 . . . A 3 CYS H . 26062 1 22 . 1 1 3 3 CYS HA H 1 4.791 . . 1 . . . A 3 CYS HA . 26062 1 23 . 1 1 3 3 CYS HB2 H 1 3.099 . . 1 . . . A 3 CYS HB2 . 26062 1 24 . 1 1 3 3 CYS HB3 H 1 3.227 . . 1 . . . A 3 CYS HB3 . 26062 1 25 . 1 1 4 4 SER H H 1 8.911 . . 1 . . . A 4 SER H . 26062 1 26 . 1 1 4 4 SER HA H 1 4.474 . . 1 . . . A 4 SER HA . 26062 1 27 . 1 1 4 4 SER HB2 H 1 3.777 . . 1 . . . A 4 SER HB2 . 26062 1 28 . 1 1 4 4 SER HB3 H 1 3.838 . . 1 . . . A 4 SER HB3 . 26062 1 29 . 1 1 4 4 SER CA C 13 58.958 . . 1 . . . A 4 SER CA . 26062 1 30 . 1 1 4 4 SER CB C 13 64.696 . . 1 . . . A 4 SER CB . 26062 1 31 . 1 1 5 5 GLU H H 1 8.046 . . 1 . . . A 5 GLU H . 26062 1 32 . 1 1 5 5 GLU HA H 1 4.495 . . 1 . . . A 5 GLU HA . 26062 1 33 . 1 1 5 5 GLU HB2 H 1 1.883 . . 1 . . . A 5 GLU HB2 . 26062 1 34 . 1 1 5 5 GLU HB3 H 1 2.223 . . 1 . . . A 5 GLU HB3 . 26062 1 35 . 1 1 5 5 GLU HG2 H 1 2.205 . . 1 . . . A 5 GLU HG2 . 26062 1 36 . 1 1 5 5 GLU HG3 H 1 2.311 . . 1 . . . A 5 GLU HG3 . 26062 1 37 . 1 1 5 5 GLU CA C 13 54.435 . . 1 . . . A 5 GLU CA . 26062 1 38 . 1 1 5 5 GLU CB C 13 30.458 . . 1 . . . A 5 GLU CB . 26062 1 39 . 1 1 5 5 GLU CG C 13 32.191 . . 1 . . . A 5 GLU CG . 26062 1 40 . 1 1 6 6 ASN H H 1 8.956 . . 1 . . . A 6 ASN H . 26062 1 41 . 1 1 6 6 ASN HA H 1 4.270 . . 1 . . . A 6 ASN HA . 26062 1 42 . 1 1 6 6 ASN HB2 H 1 2.679 . . 1 . . . A 6 ASN HB2 . 26062 1 43 . 1 1 6 6 ASN HB3 H 1 2.868 . . 1 . . . A 6 ASN HB3 . 26062 1 44 . 1 1 6 6 ASN HD21 H 1 7.606 . . 1 . . . A 6 ASN HD21 . 26062 1 45 . 1 1 6 6 ASN HD22 H 1 6.937 . . 1 . . . A 6 ASN HD22 . 26062 1 46 . 1 1 6 6 ASN CA C 13 56.623 . . 1 . . . A 6 ASN CA . 26062 1 47 . 1 1 6 6 ASN CB C 13 38.041 . . 1 . . . A 6 ASN CB . 26062 1 48 . 1 1 7 7 GLY H H 1 8.465 . . 1 . . . A 7 GLY H . 26062 1 49 . 1 1 7 7 GLY HA2 H 1 3.914 . . 1 . . . A 7 GLY HA2 . 26062 1 50 . 1 1 7 7 GLY HA3 H 1 3.842 . . 1 . . . A 7 GLY HA3 . 26062 1 51 . 1 1 7 7 GLY CA C 13 46.005 . . 1 . . . A 7 GLY CA . 26062 1 52 . 1 1 8 8 ASP H H 1 7.611 . . 1 . . . A 8 ASP H . 26062 1 53 . 1 1 8 8 ASP HA H 1 4.620 . . 1 . . . A 8 ASP HA . 26062 1 54 . 1 1 8 8 ASP HB2 H 1 2.796 . . 1 . . . A 8 ASP HB2 . 26062 1 55 . 1 1 8 8 ASP HB3 H 1 2.994 . . 1 . . . A 8 ASP HB3 . 26062 1 56 . 1 1 8 8 ASP CB C 13 41.111 . . 1 . . . A 8 ASP CB . 26062 1 57 . 1 1 9 9 CYS H H 1 7.872 . . 1 . . . A 9 CYS H . 26062 1 58 . 1 1 9 9 CYS HA H 1 4.904 . . 1 . . . A 9 CYS HA . 26062 1 59 . 1 1 9 9 CYS HB2 H 1 2.657 . . 1 . . . A 9 CYS HB2 . 26062 1 60 . 1 1 9 9 CYS HB3 H 1 3.414 . . 1 . . . A 9 CYS HB3 . 26062 1 61 . 1 1 9 9 CYS CB C 13 39.884 . . 1 . . . A 9 CYS CB . 26062 1 62 . 1 1 10 10 ALA H H 1 7.784 . . 1 . . . A 10 ALA H . 26062 1 63 . 1 1 10 10 ALA HA H 1 4.249 . . 1 . . . A 10 ALA HA . 26062 1 64 . 1 1 10 10 ALA HB1 H 1 1.275 . . 1 . . . A 10 ALA HB1 . 26062 1 65 . 1 1 10 10 ALA HB2 H 1 1.275 . . 1 . . . A 10 ALA HB2 . 26062 1 66 . 1 1 10 10 ALA HB3 H 1 1.275 . . 1 . . . A 10 ALA HB3 . 26062 1 67 . 1 1 10 10 ALA CA C 13 51.715 . . 1 . . . A 10 ALA CA . 26062 1 68 . 1 1 10 10 ALA CB C 13 19.509 . . 1 . . . A 10 ALA CB . 26062 1 69 . 1 1 11 11 ALA H H 1 8.179 . . 1 . . . A 11 ALA H . 26062 1 70 . 1 1 11 11 ALA HA H 1 4.001 . . 1 . . . A 11 ALA HA . 26062 1 71 . 1 1 11 11 ALA HB1 H 1 1.287 . . 1 . . . A 11 ALA HB1 . 26062 1 72 . 1 1 11 11 ALA HB2 H 1 1.287 . . 1 . . . A 11 ALA HB2 . 26062 1 73 . 1 1 11 11 ALA HB3 H 1 1.287 . . 1 . . . A 11 ALA HB3 . 26062 1 74 . 1 1 11 11 ALA CA C 13 54.117 . . 1 . . . A 11 ALA CA . 26062 1 75 . 1 1 11 11 ALA CB C 13 18.276 . . 1 . . . A 11 ALA CB . 26062 1 76 . 1 1 12 12 ASP H H 1 8.150 . . 1 . . . A 12 ASP H . 26062 1 77 . 1 1 12 12 ASP HA H 1 4.379 . . 1 . . . A 12 ASP HA . 26062 1 78 . 1 1 12 12 ASP HB2 H 1 2.746 . . 1 . . . A 12 ASP HB2 . 26062 1 79 . 1 1 12 12 ASP HB3 H 1 3.024 . . 1 . . . A 12 ASP HB3 . 26062 1 80 . 1 1 12 12 ASP CA C 13 52.855 . . 1 . . . A 12 ASP CA . 26062 1 81 . 1 1 12 12 ASP CB C 13 37.491 . . 1 . . . A 12 ASP CB . 26062 1 82 . 1 1 13 13 GLU H H 1 7.644 . . 1 . . . A 13 GLU H . 26062 1 83 . 1 1 13 13 GLU HA H 1 4.906 . . 1 . . . A 13 GLU HA . 26062 1 84 . 1 1 13 13 GLU HB2 H 1 1.613 . . 1 . . . A 13 GLU HB2 . 26062 1 85 . 1 1 13 13 GLU HB3 H 1 2.110 . . 1 . . . A 13 GLU HB3 . 26062 1 86 . 1 1 13 13 GLU HG2 H 1 1.844 . . 1 . . . A 13 GLU HG2 . 26062 1 87 . 1 1 13 13 GLU HG3 H 1 2.245 . . 1 . . . A 13 GLU HG3 . 26062 1 88 . 1 1 13 13 GLU CA C 13 54.279 . . 1 . . . A 13 GLU CA . 26062 1 89 . 1 1 13 13 GLU CB C 13 33.587 . . 1 . . . A 13 GLU CB . 26062 1 90 . 1 1 13 13 GLU CG C 13 34.211 . . 1 . . . A 13 GLU CG . 26062 1 91 . 1 1 14 14 CYS H H 1 8.562 . . 1 . . . A 14 CYS H . 26062 1 92 . 1 1 14 14 CYS HA H 1 4.836 . . 1 . . . A 14 CYS HA . 26062 1 93 . 1 1 14 14 CYS HB2 H 1 2.562 . . 1 . . . A 14 CYS HB2 . 26062 1 94 . 1 1 14 14 CYS HB3 H 1 2.980 . . 1 . . . A 14 CYS HB3 . 26062 1 95 . 1 1 14 14 CYS CA C 13 52.564 . . 1 . . . A 14 CYS CA . 26062 1 96 . 1 1 14 14 CYS CB C 13 42.391 . . 1 . . . A 14 CYS CB . 26062 1 97 . 1 1 15 15 CYS H H 1 9.017 . . 1 . . . A 15 CYS H . 26062 1 98 . 1 1 15 15 CYS HA H 1 4.790 . . 1 . . . A 15 CYS HA . 26062 1 99 . 1 1 15 15 CYS HB2 H 1 2.698 . . 1 . . . A 15 CYS HB2 . 26062 1 100 . 1 1 15 15 CYS HB3 H 1 2.698 . . 1 . . . A 15 CYS HB3 . 26062 1 101 . 1 1 15 15 CYS CA C 13 55.772 . . 1 . . . A 15 CYS CA . 26062 1 102 . 1 1 15 15 CYS CB C 13 39.212 . . 1 . . . A 15 CYS CB . 26062 1 103 . 1 1 16 16 VAL H H 1 8.676 . . 1 . . . A 16 VAL H . 26062 1 104 . 1 1 16 16 VAL HA H 1 4.475 . . 1 . . . A 16 VAL HA . 26062 1 105 . 1 1 16 16 VAL HB H 1 1.972 . . 1 . . . A 16 VAL HB . 26062 1 106 . 1 1 16 16 VAL HG11 H 1 0.714 . . 1 . . . A 16 VAL HG11 . 26062 1 107 . 1 1 16 16 VAL HG12 H 1 0.714 . . 1 . . . A 16 VAL HG12 . 26062 1 108 . 1 1 16 16 VAL HG13 H 1 0.714 . . 1 . . . A 16 VAL HG13 . 26062 1 109 . 1 1 16 16 VAL HG21 H 1 0.743 . . 1 . . . A 16 VAL HG21 . 26062 1 110 . 1 1 16 16 VAL HG22 H 1 0.743 . . 1 . . . A 16 VAL HG22 . 26062 1 111 . 1 1 16 16 VAL HG23 H 1 0.743 . . 1 . . . A 16 VAL HG23 . 26062 1 112 . 1 1 16 16 VAL CA C 13 60.302 . . 1 . . . A 16 VAL CA . 26062 1 113 . 1 1 16 16 VAL CB C 13 35.546 . . 1 . . . A 16 VAL CB . 26062 1 114 . 1 1 16 16 VAL CG1 C 13 19.855 . . 1 . . . A 16 VAL CG1 . 26062 1 115 . 1 1 16 16 VAL CG2 C 13 21.521 . . 1 . . . A 16 VAL CG2 . 26062 1 116 . 1 1 17 17 ASP H H 1 8.606 . . 1 . . . A 17 ASP H . 26062 1 117 . 1 1 17 17 ASP HA H 1 4.957 . . 1 . . . A 17 ASP HA . 26062 1 118 . 1 1 17 17 ASP HB2 H 1 2.496 . . 1 . . . A 17 ASP HB2 . 26062 1 119 . 1 1 17 17 ASP HB3 H 1 2.674 . . 1 . . . A 17 ASP HB3 . 26062 1 120 . 1 1 17 17 ASP CA C 13 53.339 . . 1 . . . A 17 ASP CA . 26062 1 121 . 1 1 17 17 ASP CB C 13 38.756 . . 1 . . . A 17 ASP CB . 26062 1 122 . 1 1 18 18 THR H H 1 8.762 . . 1 . . . A 18 THR H . 26062 1 123 . 1 1 18 18 THR HA H 1 4.370 . . 1 . . . A 18 THR HA . 26062 1 124 . 1 1 18 18 THR HB H 1 3.898 . . 1 . . . A 18 THR HB . 26062 1 125 . 1 1 18 18 THR HG21 H 1 0.923 . . 1 . . . A 18 THR HG21 . 26062 1 126 . 1 1 18 18 THR HG22 H 1 0.923 . . 1 . . . A 18 THR HG22 . 26062 1 127 . 1 1 18 18 THR HG23 H 1 0.923 . . 1 . . . A 18 THR HG23 . 26062 1 128 . 1 1 18 18 THR CA C 13 61.552 . . 1 . . . A 18 THR CA . 26062 1 129 . 1 1 18 18 THR CB C 13 70.647 . . 1 . . . A 18 THR CB . 26062 1 130 . 1 1 18 18 THR CG2 C 13 21.456 . . 1 . . . A 18 THR CG2 . 26062 1 131 . 1 1 19 19 VAL H H 1 8.147 . . 1 . . . A 19 VAL H . 26062 1 132 . 1 1 19 19 VAL HA H 1 4.361 . . 1 . . . A 19 VAL HA . 26062 1 133 . 1 1 19 19 VAL HB H 1 1.836 . . 1 . . . A 19 VAL HB . 26062 1 134 . 1 1 19 19 VAL HG11 H 1 0.724 . . 1 . . . A 19 VAL HG11 . 26062 1 135 . 1 1 19 19 VAL HG12 H 1 0.724 . . 1 . . . A 19 VAL HG12 . 26062 1 136 . 1 1 19 19 VAL HG13 H 1 0.724 . . 1 . . . A 19 VAL HG13 . 26062 1 137 . 1 1 19 19 VAL HG21 H 1 0.783 . . 1 . . . A 19 VAL HG21 . 26062 1 138 . 1 1 19 19 VAL HG22 H 1 0.783 . . 1 . . . A 19 VAL HG22 . 26062 1 139 . 1 1 19 19 VAL HG23 H 1 0.783 . . 1 . . . A 19 VAL HG23 . 26062 1 140 . 1 1 19 19 VAL CA C 13 61.921 . . 1 . . . A 19 VAL CA . 26062 1 141 . 1 1 19 19 VAL CB C 13 33.067 . . 1 . . . A 19 VAL CB . 26062 1 142 . 1 1 19 19 VAL CG1 C 13 21.129 . . 1 . . . A 19 VAL CG1 . 26062 1 143 . 1 1 19 19 VAL CG2 C 13 21.039 . . 1 . . . A 19 VAL CG2 . 26062 1 144 . 1 1 20 20 PHE H H 1 8.802 . . 1 . . . A 20 PHE H . 26062 1 145 . 1 1 20 20 PHE HA H 1 4.732 . . 1 . . . A 20 PHE HA . 26062 1 146 . 1 1 20 20 PHE HB2 H 1 2.921 . . 1 . . . A 20 PHE HB2 . 26062 1 147 . 1 1 20 20 PHE HB3 H 1 2.964 . . 1 . . . A 20 PHE HB3 . 26062 1 148 . 1 1 20 20 PHE HD1 H 1 7.159 . . 1 . . . A 20 PHE HD1 . 26062 1 149 . 1 1 20 20 PHE HD2 H 1 7.159 . . 1 . . . A 20 PHE HD2 . 26062 1 150 . 1 1 20 20 PHE HE1 H 1 7.207 . . 1 . . . A 20 PHE HE1 . 26062 1 151 . 1 1 20 20 PHE HE2 H 1 7.207 . . 1 . . . A 20 PHE HE2 . 26062 1 152 . 1 1 20 20 PHE CA C 13 56.978 . . 1 . . . A 20 PHE CA . 26062 1 153 . 1 1 20 20 PHE CB C 13 40.819 . . 1 . . . A 20 PHE CB . 26062 1 154 . 1 1 20 20 PHE CD1 C 13 131.499 . . 1 . . . A 20 PHE CD1 . 26062 1 155 . 1 1 20 20 PHE CD2 C 13 131.499 . . 1 . . . A 20 PHE CD2 . 26062 1 156 . 1 1 20 20 PHE CE1 C 13 131.487 . . 1 . . . A 20 PHE CE1 . 26062 1 157 . 1 1 20 20 PHE CE2 C 13 131.487 . . 1 . . . A 20 PHE CE2 . 26062 1 158 . 1 1 21 21 GLU H H 1 8.366 . . 1 . . . A 21 GLU H . 26062 1 159 . 1 1 21 21 GLU HA H 1 4.016 . . 1 . . . A 21 GLU HA . 26062 1 160 . 1 1 21 21 GLU HB2 H 1 1.772 . . 1 . . . A 21 GLU HB2 . 26062 1 161 . 1 1 21 21 GLU HB3 H 1 1.968 . . 1 . . . A 21 GLU HB3 . 26062 1 162 . 1 1 21 21 GLU HG2 H 1 1.962 . . 1 . . . A 21 GLU HG2 . 26062 1 163 . 1 1 21 21 GLU HG3 H 1 2.095 . . 1 . . . A 21 GLU HG3 . 26062 1 164 . 1 1 21 21 GLU CA C 13 55.899 . . 1 . . . A 21 GLU CA . 26062 1 165 . 1 1 21 21 GLU CB C 13 27.990 . . 1 . . . A 21 GLU CB . 26062 1 166 . 1 1 21 21 GLU CG C 13 32.803 . . 1 . . . A 21 GLU CG . 26062 1 167 . 1 1 22 22 GLY H H 1 8.456 . . 1 . . . A 22 GLY H . 26062 1 168 . 1 1 22 22 GLY HA2 H 1 3.971 . . 1 . . . A 22 GLY HA2 . 26062 1 169 . 1 1 22 22 GLY HA3 H 1 3.529 . . 1 . . . A 22 GLY HA3 . 26062 1 170 . 1 1 22 22 GLY CA C 13 46.383 . . 1 . . . A 22 GLY CA . 26062 1 171 . 1 1 23 23 ASP H H 1 8.244 . . 1 . . . A 23 ASP H . 26062 1 172 . 1 1 23 23 ASP HA H 1 4.603 . . 1 . . . A 23 ASP HA . 26062 1 173 . 1 1 23 23 ASP HB2 H 1 2.843 . . 1 . . . A 23 ASP HB2 . 26062 1 174 . 1 1 23 23 ASP HB3 H 1 2.843 . . 1 . . . A 23 ASP HB3 . 26062 1 175 . 1 1 23 23 ASP CA C 13 52.907 . . 1 . . . A 23 ASP CA . 26062 1 176 . 1 1 23 23 ASP CB C 13 38.630 . . 1 . . . A 23 ASP CB . 26062 1 177 . 1 1 24 24 MET H H 1 7.990 . . 1 . . . A 24 MET H . 26062 1 178 . 1 1 24 24 MET HA H 1 4.571 . . 1 . . . A 24 MET HA . 26062 1 179 . 1 1 24 24 MET HB2 H 1 2.420 . . 1 . . . A 24 MET HB2 . 26062 1 180 . 1 1 24 24 MET HB3 H 1 2.481 . . 1 . . . A 24 MET HB3 . 26062 1 181 . 1 1 24 24 MET HG2 H 1 1.974 . . 1 . . . A 24 MET HG2 . 26062 1 182 . 1 1 24 24 MET HG3 H 1 1.974 . . 1 . . . A 24 MET HG3 . 26062 1 183 . 1 1 24 24 MET HE1 H 1 1.973 . . 1 . . . A 24 MET HE1 . 26062 1 184 . 1 1 24 24 MET HE2 H 1 1.973 . . 1 . . . A 24 MET HE2 . 26062 1 185 . 1 1 24 24 MET HE3 H 1 1.973 . . 1 . . . A 24 MET HE3 . 26062 1 186 . 1 1 24 24 MET CA C 13 55.181 . . 1 . . . A 24 MET CA . 26062 1 187 . 1 1 24 24 MET CB C 13 31.917 . . 1 . . . A 24 MET CB . 26062 1 188 . 1 1 24 24 MET CG C 13 33.412 . . 1 . . . A 24 MET CG . 26062 1 189 . 1 1 24 24 MET CE C 13 16.931 . . 1 . . . A 24 MET CE . 26062 1 190 . 1 1 25 25 VAL H H 1 8.361 . . 1 . . . A 25 VAL H . 26062 1 191 . 1 1 25 25 VAL HA H 1 4.501 . . 1 . . . A 25 VAL HA . 26062 1 192 . 1 1 25 25 VAL HB H 1 1.836 . . 1 . . . A 25 VAL HB . 26062 1 193 . 1 1 25 25 VAL HG11 H 1 0.722 . . 1 . . . A 25 VAL HG11 . 26062 1 194 . 1 1 25 25 VAL HG12 H 1 0.722 . . 1 . . . A 25 VAL HG12 . 26062 1 195 . 1 1 25 25 VAL HG13 H 1 0.722 . . 1 . . . A 25 VAL HG13 . 26062 1 196 . 1 1 25 25 VAL HG21 H 1 0.777 . . 1 . . . A 25 VAL HG21 . 26062 1 197 . 1 1 25 25 VAL HG22 H 1 0.777 . . 1 . . . A 25 VAL HG22 . 26062 1 198 . 1 1 25 25 VAL HG23 H 1 0.777 . . 1 . . . A 25 VAL HG23 . 26062 1 199 . 1 1 25 25 VAL CA C 13 61.914 . . 1 . . . A 25 VAL CA . 26062 1 200 . 1 1 25 25 VAL CB C 13 33.464 . . 1 . . . A 25 VAL CB . 26062 1 201 . 1 1 25 25 VAL CG1 C 13 21.122 . . 1 . . . A 25 VAL CG1 . 26062 1 202 . 1 1 25 25 VAL CG2 C 13 21.042 . . 1 . . . A 25 VAL CG2 . 26062 1 203 . 1 1 26 26 THR H H 1 8.547 . . 1 . . . A 26 THR H . 26062 1 204 . 1 1 26 26 THR HA H 1 4.490 . . 1 . . . A 26 THR HA . 26062 1 205 . 1 1 26 26 THR HB H 1 3.945 . . 1 . . . A 26 THR HB . 26062 1 206 . 1 1 26 26 THR HG21 H 1 0.990 . . 1 . . . A 26 THR HG21 . 26062 1 207 . 1 1 26 26 THR HG22 H 1 0.990 . . 1 . . . A 26 THR HG22 . 26062 1 208 . 1 1 26 26 THR HG23 H 1 0.990 . . 1 . . . A 26 THR HG23 . 26062 1 209 . 1 1 26 26 THR CA C 13 60.630 . . 1 . . . A 26 THR CA . 26062 1 210 . 1 1 26 26 THR CB C 13 70.718 . . 1 . . . A 26 THR CB . 26062 1 211 . 1 1 26 26 THR CG2 C 13 20.940 . . 1 . . . A 26 THR CG2 . 26062 1 212 . 1 1 27 27 ARG H H 1 8.225 . . 1 . . . A 27 ARG H . 26062 1 213 . 1 1 27 27 ARG HA H 1 5.107 . . 1 . . . A 27 ARG HA . 26062 1 214 . 1 1 27 27 ARG HB2 H 1 1.714 . . 1 . . . A 27 ARG HB2 . 26062 1 215 . 1 1 27 27 ARG HB3 H 1 1.714 . . 1 . . . A 27 ARG HB3 . 26062 1 216 . 1 1 27 27 ARG HG2 H 1 1.457 . . 1 . . . A 27 ARG HG2 . 26062 1 217 . 1 1 27 27 ARG HG3 H 1 1.457 . . 1 . . . A 27 ARG HG3 . 26062 1 218 . 1 1 27 27 ARG HD2 H 1 2.967 . . 1 . . . A 27 ARG HD2 . 26062 1 219 . 1 1 27 27 ARG HD3 H 1 3.016 . . 1 . . . A 27 ARG HD3 . 26062 1 220 . 1 1 27 27 ARG HE H 1 6.923 . . 1 . . . A 27 ARG HE . 26062 1 221 . 1 1 27 27 ARG CA C 13 55.546 . . 1 . . . A 27 ARG CA . 26062 1 222 . 1 1 27 27 ARG CB C 13 32.316 . . 1 . . . A 27 ARG CB . 26062 1 223 . 1 1 27 27 ARG CG C 13 27.597 . . 1 . . . A 27 ARG CG . 26062 1 224 . 1 1 27 27 ARG CD C 13 43.926 . . 1 . . . A 27 ARG CD . 26062 1 225 . 1 1 28 28 SER H H 1 8.680 . . 1 . . . A 28 SER H . 26062 1 226 . 1 1 28 28 SER HA H 1 4.889 . . 1 . . . A 28 SER HA . 26062 1 227 . 1 1 28 28 SER HB2 H 1 3.642 . . 1 . . . A 28 SER HB2 . 26062 1 228 . 1 1 28 28 SER HB3 H 1 3.642 . . 1 . . . A 28 SER HB3 . 26062 1 229 . 1 1 28 28 SER CA C 13 57.534 . . 1 . . . A 28 SER CA . 26062 1 230 . 1 1 28 28 SER CB C 13 66.541 . . 1 . . . A 28 SER CB . 26062 1 231 . 1 1 29 29 CYS H H 1 8.181 . . 1 . . . A 29 CYS H . 26062 1 232 . 1 1 29 29 CYS HA H 1 5.114 . . 1 . . . A 29 CYS HA . 26062 1 233 . 1 1 29 29 CYS HB2 H 1 2.678 . . 1 . . . A 29 CYS HB2 . 26062 1 234 . 1 1 29 29 CYS HB3 H 1 2.897 . . 1 . . . A 29 CYS HB3 . 26062 1 235 . 1 1 29 29 CYS CA C 13 54.668 . . 1 . . . A 29 CYS CA . 26062 1 236 . 1 1 29 29 CYS CB C 13 39.889 . . 1 . . . A 29 CYS CB . 26062 1 237 . 1 1 30 30 GLU H H 1 9.198 . . 1 . . . A 30 GLU H . 26062 1 238 . 1 1 30 30 GLU HA H 1 4.691 . . 1 . . . A 30 GLU HA . 26062 1 239 . 1 1 30 30 GLU HB2 H 1 1.658 . . 1 . . . A 30 GLU HB2 . 26062 1 240 . 1 1 30 30 GLU HB3 H 1 2.033 . . 1 . . . A 30 GLU HB3 . 26062 1 241 . 1 1 30 30 GLU HG2 H 1 2.274 . . 1 . . . A 30 GLU HG2 . 26062 1 242 . 1 1 30 30 GLU HG3 H 1 2.274 . . 1 . . . A 30 GLU HG3 . 26062 1 243 . 1 1 30 30 GLU CA C 13 54.092 . . 1 . . . A 30 GLU CA . 26062 1 244 . 1 1 30 30 GLU CB C 13 31.967 . . 1 . . . A 30 GLU CB . 26062 1 245 . 1 1 30 30 GLU CG C 13 32.429 . . 1 . . . A 30 GLU CG . 26062 1 246 . 1 1 31 31 LYS H H 1 8.735 . . 1 . . . A 31 LYS H . 26062 1 247 . 1 1 31 31 LYS HA H 1 4.409 . . 1 . . . A 31 LYS HA . 26062 1 248 . 1 1 31 31 LYS HB2 H 1 1.714 . . 1 . . . A 31 LYS HB2 . 26062 1 249 . 1 1 31 31 LYS HB3 H 1 1.811 . . 1 . . . A 31 LYS HB3 . 26062 1 250 . 1 1 31 31 LYS HG2 H 1 1.432 . . 1 . . . A 31 LYS HG2 . 26062 1 251 . 1 1 31 31 LYS HG3 H 1 1.476 . . 1 . . . A 31 LYS HG3 . 26062 1 252 . 1 1 31 31 LYS HD2 H 1 1.621 . . 1 . . . A 31 LYS HD2 . 26062 1 253 . 1 1 31 31 LYS HD3 H 1 1.621 . . 1 . . . A 31 LYS HD3 . 26062 1 254 . 1 1 31 31 LYS HE2 H 1 2.931 . . 1 . . . A 31 LYS HE2 . 26062 1 255 . 1 1 31 31 LYS HE3 H 1 2.931 . . 1 . . . A 31 LYS HE3 . 26062 1 256 . 1 1 31 31 LYS HZ1 H 1 7.467 . . 1 . . . A 31 LYS HZ1 . 26062 1 257 . 1 1 31 31 LYS HZ2 H 1 7.467 . . 1 . . . A 31 LYS HZ2 . 26062 1 258 . 1 1 31 31 LYS HZ3 H 1 7.467 . . 1 . . . A 31 LYS HZ3 . 26062 1 259 . 1 1 31 31 LYS CA C 13 57.022 . . 1 . . . A 31 LYS CA . 26062 1 260 . 1 1 31 31 LYS CB C 13 32.905 . . 1 . . . A 31 LYS CB . 26062 1 261 . 1 1 31 31 LYS CG C 13 25.025 . . 1 . . . A 31 LYS CG . 26062 1 262 . 1 1 31 31 LYS CD C 13 29.112 . . 1 . . . A 31 LYS CD . 26062 1 263 . 1 1 31 31 LYS CE C 13 42.095 . . 1 . . . A 31 LYS CE . 26062 1 264 . 1 1 32 32 THR H H 1 8.279 . . 1 . . . A 32 THR H . 26062 1 265 . 1 1 32 32 THR HA H 1 4.358 . . 1 . . . A 32 THR HA . 26062 1 266 . 1 1 32 32 THR HB H 1 4.110 . . 1 . . . A 32 THR HB . 26062 1 267 . 1 1 32 32 THR HG21 H 1 1.004 . . 1 . . . A 32 THR HG21 . 26062 1 268 . 1 1 32 32 THR HG22 H 1 1.004 . . 1 . . . A 32 THR HG22 . 26062 1 269 . 1 1 32 32 THR HG23 H 1 1.004 . . 1 . . . A 32 THR HG23 . 26062 1 270 . 1 1 32 32 THR CA C 13 61.434 . . 1 . . . A 32 THR CA . 26062 1 271 . 1 1 32 32 THR CB C 13 69.840 . . 1 . . . A 32 THR CB . 26062 1 272 . 1 1 32 32 THR CG2 C 13 21.790 . . 1 . . . A 32 THR CG2 . 26062 1 273 . 1 1 33 33 THR H H 1 8.149 . . 1 . . . A 33 THR H . 26062 1 274 . 1 1 33 33 THR HA H 1 4.338 . . 1 . . . A 33 THR HA . 26062 1 275 . 1 1 33 33 THR HB H 1 4.187 . . 1 . . . A 33 THR HB . 26062 1 276 . 1 1 33 33 THR HG21 H 1 1.116 . . 1 . . . A 33 THR HG21 . 26062 1 277 . 1 1 33 33 THR HG22 H 1 1.116 . . 1 . . . A 33 THR HG22 . 26062 1 278 . 1 1 33 33 THR HG23 H 1 1.116 . . 1 . . . A 33 THR HG23 . 26062 1 279 . 1 1 33 33 THR CA C 13 61.694 . . 1 . . . A 33 THR CA . 26062 1 280 . 1 1 33 33 THR CB C 13 69.959 . . 1 . . . A 33 THR CB . 26062 1 281 . 1 1 33 33 THR CG2 C 13 21.395 . . 1 . . . A 33 THR CG2 . 26062 1 282 . 1 1 34 34 GLY H H 1 8.243 . . 1 . . . A 34 GLY H . 26062 1 283 . 1 1 34 34 GLY HA2 H 1 3.896 . . 1 . . . A 34 GLY HA2 . 26062 1 284 . 1 1 34 34 GLY HA3 H 1 3.778 . . 1 . . . A 34 GLY HA3 . 26062 1 285 . 1 1 34 34 GLY CA C 13 45.205 . . 1 . . . A 34 GLY CA . 26062 1 286 . 1 1 35 35 ASN H H 1 8.240 . . 1 . . . A 35 ASN H . 26062 1 287 . 1 1 35 35 ASN HA H 1 4.549 . . 1 . . . A 35 ASN HA . 26062 1 288 . 1 1 35 35 ASN HB2 H 1 2.523 . . 1 . . . A 35 ASN HB2 . 26062 1 289 . 1 1 35 35 ASN HB3 H 1 2.569 . . 1 . . . A 35 ASN HB3 . 26062 1 290 . 1 1 35 35 ASN HD21 H 1 7.427 . . 1 . . . A 35 ASN HD21 . 26062 1 291 . 1 1 35 35 ASN HD22 H 1 6.780 . . 1 . . . A 35 ASN HD22 . 26062 1 292 . 1 1 35 35 ASN CA C 13 53.289 . . 1 . . . A 35 ASN CA . 26062 1 293 . 1 1 35 35 ASN CB C 13 38.557 . . 1 . . . A 35 ASN CB . 26062 1 294 . 1 1 36 36 PHE H H 1 8.068 . . 1 . . . A 36 PHE H . 26062 1 295 . 1 1 36 36 PHE HA H 1 4.581 . . 1 . . . A 36 PHE HA . 26062 1 296 . 1 1 36 36 PHE HB2 H 1 2.981 . . 1 . . . A 36 PHE HB2 . 26062 1 297 . 1 1 36 36 PHE HB3 H 1 3.122 . . 1 . . . A 36 PHE HB3 . 26062 1 298 . 1 1 36 36 PHE HD1 H 1 7.146 . . 1 . . . A 36 PHE HD1 . 26062 1 299 . 1 1 36 36 PHE HD2 H 1 7.146 . . 1 . . . A 36 PHE HD2 . 26062 1 300 . 1 1 36 36 PHE HE1 H 1 7.225 . . 1 . . . A 36 PHE HE1 . 26062 1 301 . 1 1 36 36 PHE HE2 H 1 7.225 . . 1 . . . A 36 PHE HE2 . 26062 1 302 . 1 1 36 36 PHE CA C 13 57.806 . . 1 . . . A 36 PHE CA . 26062 1 303 . 1 1 36 36 PHE CB C 13 39.259 . . 1 . . . A 36 PHE CB . 26062 1 304 . 1 1 36 36 PHE CE1 C 13 131.488 . . 1 . . . A 36 PHE CE1 . 26062 1 305 . 1 1 36 36 PHE CE2 C 13 131.488 . . 1 . . . A 36 PHE CE2 . 26062 1 306 . 1 1 37 37 THR H H 1 8.046 . . 1 . . . A 37 THR H . 26062 1 307 . 1 1 37 37 THR HA H 1 4.110 . . 1 . . . A 37 THR HA . 26062 1 308 . 1 1 37 37 THR HB H 1 4.096 . . 1 . . . A 37 THR HB . 26062 1 309 . 1 1 37 37 THR HG21 H 1 1.047 . . 1 . . . A 37 THR HG21 . 26062 1 310 . 1 1 37 37 THR HG22 H 1 1.047 . . 1 . . . A 37 THR HG22 . 26062 1 311 . 1 1 37 37 THR HG23 H 1 1.047 . . 1 . . . A 37 THR HG23 . 26062 1 312 . 1 1 37 37 THR CA C 13 62.448 . . 1 . . . A 37 THR CA . 26062 1 313 . 1 1 37 37 THR CB C 13 69.437 . . 1 . . . A 37 THR CB . 26062 1 314 . 1 1 37 37 THR CG2 C 13 21.711 . . 1 . . . A 37 THR CG2 . 26062 1 315 . 1 1 38 38 GLU H H 1 7.775 . . 1 . . . A 38 GLU H . 26062 1 316 . 1 1 38 38 GLU HA H 1 4.351 . . 1 . . . A 38 GLU HA . 26062 1 317 . 1 1 38 38 GLU HB2 H 1 1.835 . . 1 . . . A 38 GLU HB2 . 26062 1 318 . 1 1 38 38 GLU HB3 H 1 2.011 . . 1 . . . A 38 GLU HB3 . 26062 1 319 . 1 1 38 38 GLU HG2 H 1 2.304 . . 1 . . . A 38 GLU HG2 . 26062 1 320 . 1 1 38 38 GLU HG3 H 1 2.304 . . 1 . . . A 38 GLU HG3 . 26062 1 321 . 1 1 38 38 GLU CA C 13 54.983 . . 1 . . . A 38 GLU CA . 26062 1 322 . 1 1 38 38 GLU CB C 13 29.606 . . 1 . . . A 38 GLU CB . 26062 1 323 . 1 1 38 38 GLU CG C 13 32.685 . . 1 . . . A 38 GLU CG . 26062 1 324 . 1 1 39 39 CYS H H 1 8.545 . . 1 . . . A 39 CYS H . 26062 1 325 . 1 1 39 39 CYS HA H 1 4.799 . . 1 . . . A 39 CYS HA . 26062 1 326 . 1 1 39 39 CYS HB2 H 1 2.655 . . 1 . . . A 39 CYS HB2 . 26062 1 327 . 1 1 39 39 CYS HB3 H 1 3.131 . . 1 . . . A 39 CYS HB3 . 26062 1 328 . 1 1 39 39 CYS CA C 13 53.291 . . 1 . . . A 39 CYS CA . 26062 1 329 . 1 1 39 39 CYS CB C 13 38.357 . . 1 . . . A 39 CYS CB . 26062 1 330 . 1 1 40 40 PRO HA H 1 4.351 . . 1 . . . A 40 PRO HA . 26062 1 331 . 1 1 40 40 PRO HB2 H 1 1.872 . . 1 . . . A 40 PRO HB2 . 26062 1 332 . 1 1 40 40 PRO HB3 H 1 2.200 . . 1 . . . A 40 PRO HB3 . 26062 1 333 . 1 1 40 40 PRO HG2 H 1 1.882 . . 1 . . . A 40 PRO HG2 . 26062 1 334 . 1 1 40 40 PRO HG3 H 1 1.962 . . 1 . . . A 40 PRO HG3 . 26062 1 335 . 1 1 40 40 PRO HD2 H 1 3.526 . . 1 . . . A 40 PRO HD2 . 26062 1 336 . 1 1 40 40 PRO HD3 H 1 3.681 . . 1 . . . A 40 PRO HD3 . 26062 1 337 . 1 1 40 40 PRO CA C 13 63.300 . . 1 . . . A 40 PRO CA . 26062 1 338 . 1 1 40 40 PRO CB C 13 32.052 . . 1 . . . A 40 PRO CB . 26062 1 339 . 1 1 40 40 PRO CG C 13 27.378 . . 1 . . . A 40 PRO CG . 26062 1 340 . 1 1 40 40 PRO CD C 13 50.485 . . 1 . . . A 40 PRO CD . 26062 1 341 . 1 1 41 41 GLY H H 1 8.401 . . 1 . . . A 41 GLY H . 26062 1 342 . 1 1 41 41 GLY HA2 H 1 3.898 . . 1 . . . A 41 GLY HA2 . 26062 1 343 . 1 1 41 41 GLY HA3 H 1 3.792 . . 1 . . . A 41 GLY HA3 . 26062 1 344 . 1 1 41 41 GLY CA C 13 45.145 . . 1 . . . A 41 GLY CA . 26062 1 345 . 1 1 42 42 LEU H H 1 8.090 . . 1 . . . A 42 LEU H . 26062 1 346 . 1 1 42 42 LEU HA H 1 4.353 . . 1 . . . A 42 LEU HA . 26062 1 347 . 1 1 42 42 LEU HB2 H 1 1.469 . . 1 . . . A 42 LEU HB2 . 26062 1 348 . 1 1 42 42 LEU HB3 H 1 1.530 . . 1 . . . A 42 LEU HB3 . 26062 1 349 . 1 1 42 42 LEU HG H 1 1.507 . . 1 . . . A 42 LEU HG . 26062 1 350 . 1 1 42 42 LEU HD11 H 1 0.736 . . 1 . . . A 42 LEU HD11 . 26062 1 351 . 1 1 42 42 LEU HD12 H 1 0.736 . . 1 . . . A 42 LEU HD12 . 26062 1 352 . 1 1 42 42 LEU HD13 H 1 0.736 . . 1 . . . A 42 LEU HD13 . 26062 1 353 . 1 1 42 42 LEU HD21 H 1 0.779 . . 1 . . . A 42 LEU HD21 . 26062 1 354 . 1 1 42 42 LEU HD22 H 1 0.779 . . 1 . . . A 42 LEU HD22 . 26062 1 355 . 1 1 42 42 LEU HD23 H 1 0.779 . . 1 . . . A 42 LEU HD23 . 26062 1 356 . 1 1 42 42 LEU CA C 13 54.989 . . 1 . . . A 42 LEU CA . 26062 1 357 . 1 1 42 42 LEU CB C 13 42.701 . . 1 . . . A 42 LEU CB . 26062 1 358 . 1 1 42 42 LEU CG C 13 27.006 . . 1 . . . A 42 LEU CG . 26062 1 359 . 1 1 42 42 LEU CD1 C 13 23.568 . . 1 . . . A 42 LEU CD1 . 26062 1 360 . 1 1 42 42 LEU CD2 C 13 25.028 . . 1 . . . A 42 LEU CD2 . 26062 1 361 . 1 1 43 43 THR H H 1 8.103 . . 1 . . . A 43 THR H . 26062 1 362 . 1 1 43 43 THR HA H 1 4.505 . . 1 . . . A 43 THR HA . 26062 1 363 . 1 1 43 43 THR HB H 1 4.054 . . 1 . . . A 43 THR HB . 26062 1 364 . 1 1 43 43 THR HG21 H 1 1.157 . . 1 . . . A 43 THR HG21 . 26062 1 365 . 1 1 43 43 THR HG22 H 1 1.157 . . 1 . . . A 43 THR HG22 . 26062 1 366 . 1 1 43 43 THR HG23 H 1 1.157 . . 1 . . . A 43 THR HG23 . 26062 1 367 . 1 1 43 43 THR CA C 13 59.856 . . 1 . . . A 43 THR CA . 26062 1 368 . 1 1 43 43 THR CB C 13 69.670 . . 1 . . . A 43 THR CB . 26062 1 369 . 1 1 43 43 THR CG2 C 13 21.404 . . 1 . . . A 43 THR CG2 . 26062 1 370 . 1 1 44 44 PRO HA H 1 4.354 . . 1 . . . A 44 PRO HA . 26062 1 371 . 1 1 44 44 PRO HB2 H 1 2.184 . . 1 . . . A 44 PRO HB2 . 26062 1 372 . 1 1 44 44 PRO HB3 H 1 1.804 . . 1 . . . A 44 PRO HB3 . 26062 1 373 . 1 1 44 44 PRO HG2 H 1 1.952 . . 1 . . . A 44 PRO HG2 . 26062 1 374 . 1 1 44 44 PRO HG3 H 1 1.877 . . 1 . . . A 44 PRO HG3 . 26062 1 375 . 1 1 44 44 PRO HD2 H 1 3.617 . . 1 . . . A 44 PRO HD2 . 26062 1 376 . 1 1 44 44 PRO HD3 H 1 3.771 . . 1 . . . A 44 PRO HD3 . 26062 1 377 . 1 1 44 44 PRO CA C 13 63.143 . . 1 . . . A 44 PRO CA . 26062 1 378 . 1 1 44 44 PRO CB C 13 32.082 . . 1 . . . A 44 PRO CB . 26062 1 379 . 1 1 44 44 PRO CG C 13 27.375 . . 1 . . . A 44 PRO CG . 26062 1 380 . 1 1 44 44 PRO CD C 13 51.099 . . 1 . . . A 44 PRO CD . 26062 1 381 . 1 1 45 45 ILE H H 1 8.129 . . 1 . . . A 45 ILE H . 26062 1 382 . 1 1 45 45 ILE HA H 1 4.042 . . 1 . . . A 45 ILE HA . 26062 1 383 . 1 1 45 45 ILE HB H 1 1.754 . . 1 . . . A 45 ILE HB . 26062 1 384 . 1 1 45 45 ILE HG12 H 1 1.102 . . 1 . . . A 45 ILE HG12 . 26062 1 385 . 1 1 45 45 ILE HG13 H 1 1.416 . . 1 . . . A 45 ILE HG13 . 26062 1 386 . 1 1 45 45 ILE HG21 H 1 0.845 . . 1 . . . A 45 ILE HG21 . 26062 1 387 . 1 1 45 45 ILE HG22 H 1 0.845 . . 1 . . . A 45 ILE HG22 . 26062 1 388 . 1 1 45 45 ILE HG23 H 1 0.845 . . 1 . . . A 45 ILE HG23 . 26062 1 389 . 1 1 45 45 ILE HD11 H 1 0.775 . . 1 . . . A 45 ILE HD11 . 26062 1 390 . 1 1 45 45 ILE HD12 H 1 0.775 . . 1 . . . A 45 ILE HD12 . 26062 1 391 . 1 1 45 45 ILE HD13 H 1 0.775 . . 1 . . . A 45 ILE HD13 . 26062 1 392 . 1 1 45 45 ILE CA C 13 61.070 . . 1 . . . A 45 ILE CA . 26062 1 393 . 1 1 45 45 ILE CB C 13 38.895 . . 1 . . . A 45 ILE CB . 26062 1 394 . 1 1 45 45 ILE CG1 C 13 27.163 . . 1 . . . A 45 ILE CG1 . 26062 1 395 . 1 1 45 45 ILE CG2 C 13 17.357 . . 1 . . . A 45 ILE CG2 . 26062 1 396 . 1 1 45 45 ILE CD1 C 13 12.913 . . 1 . . . A 45 ILE CD1 . 26062 1 397 . 1 1 46 46 ALA H H 1 8.192 . . 1 . . . A 46 ALA H . 26062 1 398 . 1 1 46 46 ALA HA H 1 4.191 . . 1 . . . A 46 ALA HA . 26062 1 399 . 1 1 46 46 ALA HB1 H 1 1.292 . . 1 . . . A 46 ALA HB1 . 26062 1 400 . 1 1 46 46 ALA HB2 H 1 1.292 . . 1 . . . A 46 ALA HB2 . 26062 1 401 . 1 1 46 46 ALA HB3 H 1 1.292 . . 1 . . . A 46 ALA HB3 . 26062 1 402 . 1 1 46 46 ALA CA C 13 52.173 . . 1 . . . A 46 ALA CA . 26062 1 403 . 1 1 46 46 ALA CB C 13 19.382 . . 1 . . . A 46 ALA CB . 26062 1 stop_ save_