data_51070 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51070 _Entry.Title ; PRC1_DD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-26 _Entry.Accession_date 2021-08-26 _Entry.Last_release_date 2021-08-27 _Entry.Original_release_date 2021-08-27 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'The first 65 residues in Protein Regulator of Cytokinesis 1' _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 Fei Tan . . . . 51070 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'peking university' . 51070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 316 51070 '15N chemical shifts' 68 51070 '1H chemical shifts' 517 51070 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 2 . . 2022-08-16 2021-08-26 update BMRB 'update entry citation' 51070 1 . . 2022-06-24 2021-08-26 original author 'original release' 51070 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51070 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35930764 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Validation of the solution structure of dimerization domain of PRC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 17 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0270572 _Citation.Page_last e0270572 _Citation.Year 2022 _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 Fei Tan F. . . . 51070 1 2 Jin Xu J. . . . 51070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51070 _Assembly.ID 1 _Assembly.Name 'Prc1 N terminal domain(aa:1-65)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _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 12000 _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 'Prc1 N terminal domain (aa:1-65), chain 1' 1 $entity_1 . . yes native no no . . . 51070 1 2 'Prc1 N terminal domain (aa:1-65), chain 2' 1 $entity_1 . . yes native no no . . . 51070 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_asym_ID_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_asym_ID_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 14 14 SG . 2 . 1 CYS 14 14 SG . . . . . . . . . . . . 51070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51070 _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 ; MRRSEVLAEESIVCLQKALN HLREIWELIGIPEDQRLQRT EVVKKHIKELLDMMIAEEES LKERLEH ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . MET . 51070 1 2 . ARG . 51070 1 3 . ARG . 51070 1 4 . SER . 51070 1 5 . GLU . 51070 1 6 . VAL . 51070 1 7 . LEU . 51070 1 8 . ALA . 51070 1 9 . GLU . 51070 1 10 . GLU . 51070 1 11 . SER . 51070 1 12 . ILE . 51070 1 13 . VAL . 51070 1 14 . CYS . 51070 1 15 . LEU . 51070 1 16 . GLN . 51070 1 17 . LYS . 51070 1 18 . ALA . 51070 1 19 . LEU . 51070 1 20 . ASN . 51070 1 21 . HIS . 51070 1 22 . LEU . 51070 1 23 . ARG . 51070 1 24 . GLU . 51070 1 25 . ILE . 51070 1 26 . TRP . 51070 1 27 . GLU . 51070 1 28 . LEU . 51070 1 29 . ILE . 51070 1 30 . GLY . 51070 1 31 . ILE . 51070 1 32 . PRO . 51070 1 33 . GLU . 51070 1 34 . ASP . 51070 1 35 . GLN . 51070 1 36 . ARG . 51070 1 37 . LEU . 51070 1 38 . GLN . 51070 1 39 . ARG . 51070 1 40 . THR . 51070 1 41 . GLU . 51070 1 42 . VAL . 51070 1 43 . VAL . 51070 1 44 . LYS . 51070 1 45 . LYS . 51070 1 46 . HIS . 51070 1 47 . ILE . 51070 1 48 . LYS . 51070 1 49 . GLU . 51070 1 50 . LEU . 51070 1 51 . LEU . 51070 1 52 . ASP . 51070 1 53 . MET . 51070 1 54 . MET . 51070 1 55 . ILE . 51070 1 56 . ALA . 51070 1 57 . GLU . 51070 1 58 . GLU . 51070 1 59 . GLU . 51070 1 60 . SER . 51070 1 61 . LEU . 51070 1 62 . LYS . 51070 1 63 . GLU . 51070 1 64 . ARG . 51070 1 65 . LEU . 51070 1 66 . GLU . 51070 1 67 . HIS . 51070 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 . MET 1 1 51070 1 . ARG 2 2 51070 1 . ARG 3 3 51070 1 . SER 4 4 51070 1 . GLU 5 5 51070 1 . VAL 6 6 51070 1 . LEU 7 7 51070 1 . ALA 8 8 51070 1 . GLU 9 9 51070 1 . GLU 10 10 51070 1 . SER 11 11 51070 1 . ILE 12 12 51070 1 . VAL 13 13 51070 1 . CYS 14 14 51070 1 . LEU 15 15 51070 1 . GLN 16 16 51070 1 . LYS 17 17 51070 1 . ALA 18 18 51070 1 . LEU 19 19 51070 1 . ASN 20 20 51070 1 . HIS 21 21 51070 1 . LEU 22 22 51070 1 . ARG 23 23 51070 1 . GLU 24 24 51070 1 . ILE 25 25 51070 1 . TRP 26 26 51070 1 . GLU 27 27 51070 1 . LEU 28 28 51070 1 . ILE 29 29 51070 1 . GLY 30 30 51070 1 . ILE 31 31 51070 1 . PRO 32 32 51070 1 . GLU 33 33 51070 1 . ASP 34 34 51070 1 . GLN 35 35 51070 1 . ARG 36 36 51070 1 . LEU 37 37 51070 1 . GLN 38 38 51070 1 . ARG 39 39 51070 1 . THR 40 40 51070 1 . GLU 41 41 51070 1 . VAL 42 42 51070 1 . VAL 43 43 51070 1 . LYS 44 44 51070 1 . LYS 45 45 51070 1 . HIS 46 46 51070 1 . ILE 47 47 51070 1 . LYS 48 48 51070 1 . GLU 49 49 51070 1 . LEU 50 50 51070 1 . LEU 51 51 51070 1 . ASP 52 52 51070 1 . MET 53 53 51070 1 . MET 54 54 51070 1 . ILE 55 55 51070 1 . ALA 56 56 51070 1 . GLU 57 57 51070 1 . GLU 58 58 51070 1 . GLU 59 59 51070 1 . SER 60 60 51070 1 . LEU 61 61 51070 1 . LYS 62 62 51070 1 . GLU 63 63 51070 1 . ARG 64 64 51070 1 . LEU 65 65 51070 1 . GLU 66 66 51070 1 . HIS 67 67 51070 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 51070 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51070 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 51070 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21A . . plasmid . . Pet21A . . . 51070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51070 _Sample.ID 1 _Sample.Name PRC1_DD _Sample.Type solution _Sample.Sub_type . _Sample.Details 'in 50 mM phosphate, 150mM NaCl, 5mM DTT at pH 7.4' _Sample.Aggregate_sample_number 1 _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 PRC1_DD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51070 1 2 PRC1_DD '[U-95% 15N]' . . 1 $entity_1 . . 0.75 0.5 1.0 mM . . . . 51070 1 3 phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 51070 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51070 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51070 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 51070 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'norm conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 51070 1 pressure 1 . atm 51070 1 temperature 298 . K 51070 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51070 _Software.ID 1 _Software.Type . _Software.Name CANDID _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51070 1 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 51070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800-MHz spectrometers' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51070 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance 500-MHz spectrometers' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 51070 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51070 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51070 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51070 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51070 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 51070 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbon' . . . . ppm 4.80 internal direct 1 . . . . . 51070 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 51070 1 N 15 DSS nitrogen . . . . ppm 4.80 internal direct 1 . . . . . 51070 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 51070 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.prc1_dd' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51070 1 3 '3D CBCACONH' . . . 51070 1 4 '3D HNCACB' . . . 51070 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 . . 51070 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 MET HA H 1 4.4840 0.0000 . 1 . . . . . 1 MET HA . 51070 1 2 . 1 . 1 1 1 MET HB2 H 1 2.0470 0.0000 . 2 . . . . . 1 MET HB2 . 51070 1 3 . 1 . 1 1 1 MET HB3 H 1 1.9700 0.0000 . 2 . . . . . 1 MET HB3 . 51070 1 4 . 1 . 1 1 1 MET HG2 H 1 2.5740 0.0000 . 2 . . . . . 1 MET HG2 . 51070 1 5 . 1 . 1 1 1 MET HG3 H 1 2.5860 0.0000 . 2 . . . . . 1 MET HG3 . 51070 1 6 . 1 . 1 1 1 MET HE1 H 1 2.0850 0.0000 . 1 . . . . . 1 MET HE1 . 51070 1 7 . 1 . 1 1 1 MET HE2 H 1 2.0850 0.0000 . 1 . . . . . 1 MET HE1 . 51070 1 8 . 1 . 1 1 1 MET HE3 H 1 2.0850 0.0000 . 1 . . . . . 1 MET HE1 . 51070 1 9 . 1 . 1 1 1 MET C C 13 176.2030 0.0000 . 1 . . . . . 1 MET C . 51070 1 10 . 1 . 1 1 1 MET CA C 13 55.7900 0.0000 . 1 . . . . . 1 MET CA . 51070 1 11 . 1 . 1 1 1 MET CB C 13 33.6950 0.0000 . 1 . . . . . 1 MET CB . 51070 1 12 . 1 . 1 1 1 MET CG C 13 32.3000 0.0000 . 1 . . . . . 1 MET CG . 51070 1 13 . 1 . 1 1 1 MET CE C 13 16.9800 0.0000 . 1 . . . . . 1 MET CE . 51070 1 14 . 1 . 1 2 2 ARG H H 1 8.7510 0.0000 . 1 . . . . . 2 ARG H . 51070 1 15 . 1 . 1 2 2 ARG HA H 1 4.3700 0.0000 . 1 . . . . . 2 ARG HA . 51070 1 16 . 1 . 1 2 2 ARG HB2 H 1 1.6730 0.0000 . 2 . . . . . 2 ARG HB2 . 51070 1 17 . 1 . 1 2 2 ARG HB3 H 1 2.0950 0.0000 . 2 . . . . . 2 ARG HB3 . 51070 1 18 . 1 . 1 2 2 ARG HG2 H 1 1.7870 0.0000 . 2 . . . . . 2 ARG HG2 . 51070 1 19 . 1 . 1 2 2 ARG HG3 H 1 1.6760 0.0000 . 2 . . . . . 2 ARG HG3 . 51070 1 20 . 1 . 1 2 2 ARG HD2 H 1 3.2170 0.0000 . 2 . . . . . 2 ARG HD2 . 51070 1 21 . 1 . 1 2 2 ARG C C 13 177.2940 0.0000 . 1 . . . . . 2 ARG C . 51070 1 22 . 1 . 1 2 2 ARG CA C 13 55.8050 0.0000 . 1 . . . . . 2 ARG CA . 51070 1 23 . 1 . 1 2 2 ARG CB C 13 30.8500 0.0000 . 1 . . . . . 2 ARG CB . 51070 1 24 . 1 . 1 2 2 ARG CG C 13 27.7820 0.0000 . 1 . . . . . 2 ARG CG . 51070 1 25 . 1 . 1 2 2 ARG CD C 13 43.7000 0.0000 . 1 . . . . . 2 ARG CD . 51070 1 26 . 1 . 1 2 2 ARG N N 15 123.6890 0.0000 . 1 . . . . . 2 ARG N . 51070 1 27 . 1 . 1 3 3 ARG H H 1 8.7480 0.0000 . 1 . . . . . 3 ARG H . 51070 1 28 . 1 . 1 3 3 ARG HA H 1 4.0200 0.0000 . 1 . . . . . 3 ARG HA . 51070 1 29 . 1 . 1 3 3 ARG HB2 H 1 2.3010 0.0000 . 2 . . . . . 3 ARG HB2 . 51070 1 30 . 1 . 1 3 3 ARG HB3 H 1 2.0150 0.0000 . 2 . . . . . 3 ARG HB3 . 51070 1 31 . 1 . 1 3 3 ARG HG2 H 1 1.7850 0.0000 . 2 . . . . . 3 ARG HG2 . 51070 1 32 . 1 . 1 3 3 ARG HG3 H 1 1.6780 0.0000 . 2 . . . . . 3 ARG HG3 . 51070 1 33 . 1 . 1 3 3 ARG HD2 H 1 2.1620 0.0000 . 2 . . . . . 3 ARG HD2 . 51070 1 34 . 1 . 1 3 3 ARG HD3 H 1 3.2840 0.0000 . 2 . . . . . 3 ARG HD3 . 51070 1 35 . 1 . 1 3 3 ARG CA C 13 59.4000 0.0000 . 1 . . . . . 3 ARG CA . 51070 1 36 . 1 . 1 3 3 ARG CB C 13 30.0200 0.0000 . 1 . . . . . 3 ARG CB . 51070 1 37 . 1 . 1 3 3 ARG CG C 13 27.5720 0.0000 . 1 . . . . . 3 ARG CG . 51070 1 38 . 1 . 1 3 3 ARG CD C 13 41.4110 0.0000 . 1 . . . . . 3 ARG CD . 51070 1 39 . 1 . 1 3 3 ARG N N 15 124.6570 0.0000 . 1 . . . . . 3 ARG N . 51070 1 40 . 1 . 1 4 4 SER H H 1 7.3310 0.0000 . 1 . . . . . 4 SER H . 51070 1 41 . 1 . 1 4 4 SER HA H 1 3.6200 0.0000 . 1 . . . . . 4 SER HA . 51070 1 42 . 1 . 1 4 4 SER HB2 H 1 3.8760 0.0000 . 2 . . . . . 4 SER HB2 . 51070 1 43 . 1 . 1 4 4 SER C C 13 178.0430 0.0000 . 1 . . . . . 4 SER C . 51070 1 44 . 1 . 1 4 4 SER CA C 13 60.2420 0.0000 . 1 . . . . . 4 SER CA . 51070 1 45 . 1 . 1 4 4 SER CB C 13 62.7290 0.0000 . 1 . . . . . 4 SER CB . 51070 1 46 . 1 . 1 5 5 GLU H H 1 7.9570 0.0000 . 1 . . . . . 5 GLU H . 51070 1 47 . 1 . 1 5 5 GLU HA H 1 4.0240 0.0000 . 1 . . . . . 5 GLU HA . 51070 1 48 . 1 . 1 5 5 GLU HB2 H 1 2.3060 0.0000 . 2 . . . . . 5 GLU HB2 . 51070 1 49 . 1 . 1 5 5 GLU HB3 H 1 2.1550 0.0000 . 2 . . . . . 5 GLU HB3 . 51070 1 50 . 1 . 1 5 5 GLU HG2 H 1 2.2850 0.0000 . 2 . . . . . 5 GLU HG2 . 51070 1 51 . 1 . 1 5 5 GLU HG3 H 1 2.2380 0.0000 . 2 . . . . . 5 GLU HG3 . 51070 1 52 . 1 . 1 5 5 GLU C C 13 173.9340 0.0000 . 1 . . . . . 5 GLU C . 51070 1 53 . 1 . 1 5 5 GLU CA C 13 59.3310 0.0000 . 1 . . . . . 5 GLU CA . 51070 1 54 . 1 . 1 5 5 GLU CB C 13 29.6140 0.0000 . 1 . . . . . 5 GLU CB . 51070 1 55 . 1 . 1 5 5 GLU CG C 13 36.8790 0.0000 . 1 . . . . . 5 GLU CG . 51070 1 56 . 1 . 1 5 5 GLU N N 15 118.8910 0.0000 . 1 . . . . . 5 GLU N . 51070 1 57 . 1 . 1 6 6 VAL H H 1 7.8050 0.0000 . 1 . . . . . 6 VAL H . 51070 1 58 . 1 . 1 6 6 VAL HA H 1 3.7850 0.0000 . 1 . . . . . 6 VAL HA . 51070 1 59 . 1 . 1 6 6 VAL HB H 1 2.2530 0.0000 . 1 . . . . . 6 VAL HB . 51070 1 60 . 1 . 1 6 6 VAL HG11 H 1 1.0000 0.0000 . 2 . . . . . 6 VAL HG11 . 51070 1 61 . 1 . 1 6 6 VAL HG12 H 1 1.0000 0.0000 . 2 . . . . . 6 VAL HG11 . 51070 1 62 . 1 . 1 6 6 VAL HG13 H 1 1.0000 0.0000 . 2 . . . . . 6 VAL HG11 . 51070 1 63 . 1 . 1 6 6 VAL HG21 H 1 1.0550 0.0000 . 2 . . . . . 6 VAL HG21 . 51070 1 64 . 1 . 1 6 6 VAL HG22 H 1 1.0550 0.0000 . 2 . . . . . 6 VAL HG21 . 51070 1 65 . 1 . 1 6 6 VAL HG23 H 1 1.0550 0.0000 . 2 . . . . . 6 VAL HG21 . 51070 1 66 . 1 . 1 6 6 VAL C C 13 178.6560 0.0000 . 1 . . . . . 6 VAL C . 51070 1 67 . 1 . 1 6 6 VAL CA C 13 66.2000 0.0000 . 1 . . . . . 6 VAL CA . 51070 1 68 . 1 . 1 6 6 VAL CB C 13 31.7900 0.0000 . 1 . . . . . 6 VAL CB . 51070 1 69 . 1 . 1 6 6 VAL CG1 C 13 21.5550 0.0000 . 1 . . . . . 6 VAL CG1 . 51070 1 70 . 1 . 1 6 6 VAL CG2 C 13 22.7890 0.0000 . 1 . . . . . 6 VAL CG2 . 51070 1 71 . 1 . 1 6 6 VAL N N 15 122.7320 0.0000 . 1 . . . . . 6 VAL N . 51070 1 72 . 1 . 1 7 7 LEU H H 1 8.3830 0.0000 . 1 . . . . . 7 LEU H . 51070 1 73 . 1 . 1 7 7 LEU HA H 1 4.1750 0.0000 . 1 . . . . . 7 LEU HA . 51070 1 74 . 1 . 1 7 7 LEU HB2 H 1 1.4930 0.0000 . 2 . . . . . 7 LEU HB2 . 51070 1 75 . 1 . 1 7 7 LEU HB3 H 1 1.7800 0.0000 . 2 . . . . . 7 LEU HB3 . 51070 1 76 . 1 . 1 7 7 LEU HG H 1 1.7730 0.0000 . 1 . . . . . 7 LEU HG . 51070 1 77 . 1 . 1 7 7 LEU HD11 H 1 0.9300 0.0000 . 2 . . . . . 7 LEU HD11 . 51070 1 78 . 1 . 1 7 7 LEU HD12 H 1 0.9300 0.0000 . 2 . . . . . 7 LEU HD11 . 51070 1 79 . 1 . 1 7 7 LEU HD13 H 1 0.9300 0.0000 . 2 . . . . . 7 LEU HD11 . 51070 1 80 . 1 . 1 7 7 LEU HD21 H 1 0.8620 0.0000 . 2 . . . . . 7 LEU HD21 . 51070 1 81 . 1 . 1 7 7 LEU HD22 H 1 0.8620 0.0000 . 2 . . . . . 7 LEU HD21 . 51070 1 82 . 1 . 1 7 7 LEU HD23 H 1 0.8620 0.0000 . 2 . . . . . 7 LEU HD21 . 51070 1 83 . 1 . 1 7 7 LEU C C 13 179.9060 0.0000 . 1 . . . . . 7 LEU C . 51070 1 84 . 1 . 1 7 7 LEU CA C 13 57.5970 0.0000 . 1 . . . . . 7 LEU CA . 51070 1 85 . 1 . 1 7 7 LEU CB C 13 42.0320 0.0000 . 1 . . . . . 7 LEU CB . 51070 1 86 . 1 . 1 7 7 LEU CG C 13 27.0060 0.0000 . 1 . . . . . 7 LEU CG . 51070 1 87 . 1 . 1 7 7 LEU CD1 C 13 25.5110 0.0000 . 1 . . . . . 7 LEU CD1 . 51070 1 88 . 1 . 1 7 7 LEU CD2 C 13 24.6000 0.0000 . 1 . . . . . 7 LEU CD2 . 51070 1 89 . 1 . 1 7 7 LEU N N 15 120.3950 0.0000 . 1 . . . . . 7 LEU N . 51070 1 90 . 1 . 1 8 8 ALA H H 1 7.7800 0.0000 . 1 . . . . . 8 ALA H . 51070 1 91 . 1 . 1 8 8 ALA HA H 1 4.0590 0.0000 . 1 . . . . . 8 ALA HA . 51070 1 92 . 1 . 1 8 8 ALA HB1 H 1 1.7450 0.0000 . 1 . . . . . 8 ALA HB1 . 51070 1 93 . 1 . 1 8 8 ALA HB2 H 1 1.7450 0.0000 . 1 . . . . . 8 ALA HB1 . 51070 1 94 . 1 . 1 8 8 ALA HB3 H 1 1.7450 0.0000 . 1 . . . . . 8 ALA HB1 . 51070 1 95 . 1 . 1 8 8 ALA C C 13 179.0950 0.0000 . 1 . . . . . 8 ALA C . 51070 1 96 . 1 . 1 8 8 ALA CA C 13 55.5820 0.0000 . 1 . . . . . 8 ALA CA . 51070 1 97 . 1 . 1 8 8 ALA CB C 13 18.4710 0.0000 . 1 . . . . . 8 ALA CB . 51070 1 98 . 1 . 1 8 8 ALA N N 15 123.2820 0.0000 . 1 . . . . . 8 ALA N . 51070 1 99 . 1 . 1 9 9 GLU H H 1 7.7900 0.0000 . 1 . . . . . 9 GLU H . 51070 1 100 . 1 . 1 9 9 GLU HA H 1 3.9700 0.0000 . 1 . . . . . 9 GLU HA . 51070 1 101 . 1 . 1 9 9 GLU HB2 H 1 2.2030 0.0000 . 2 . . . . . 9 GLU HB2 . 51070 1 102 . 1 . 1 9 9 GLU HB3 H 1 2.0340 0.0000 . 2 . . . . . 9 GLU HB3 . 51070 1 103 . 1 . 1 9 9 GLU HG2 H 1 2.1980 0.0000 . 2 . . . . . 9 GLU HG2 . 51070 1 104 . 1 . 1 9 9 GLU HG3 H 1 2.4350 0.0000 . 2 . . . . . 9 GLU HG3 . 51070 1 105 . 1 . 1 9 9 GLU C C 13 179.6000 0.0000 . 1 . . . . . 9 GLU C . 51070 1 106 . 1 . 1 9 9 GLU CA C 13 59.5120 0.0000 . 1 . . . . . 9 GLU CA . 51070 1 107 . 1 . 1 9 9 GLU CB C 13 29.1000 0.0000 . 1 . . . . . 9 GLU CB . 51070 1 108 . 1 . 1 9 9 GLU CG C 13 36.4710 0.0000 . 1 . . . . . 9 GLU CG . 51070 1 109 . 1 . 1 9 9 GLU N N 15 118.3320 0.0000 . 1 . . . . . 9 GLU N . 51070 1 110 . 1 . 1 10 10 GLU H H 1 8.7340 0.0000 . 1 . . . . . 10 GLU H . 51070 1 111 . 1 . 1 10 10 GLU HA H 1 4.0210 0.0000 . 1 . . . . . 10 GLU HA . 51070 1 112 . 1 . 1 10 10 GLU HB2 H 1 2.0530 0.0000 . 2 . . . . . 10 GLU HB2 . 51070 1 113 . 1 . 1 10 10 GLU HB3 H 1 2.1570 0.0000 . 2 . . . . . 10 GLU HB3 . 51070 1 114 . 1 . 1 10 10 GLU HG2 H 1 2.6240 0.0000 . 2 . . . . . 10 GLU HG2 . 51070 1 115 . 1 . 1 10 10 GLU HG3 H 1 2.2480 0.0000 . 2 . . . . . 10 GLU HG3 . 51070 1 116 . 1 . 1 10 10 GLU CA C 13 59.5000 0.0000 . 1 . . . . . 10 GLU CA . 51070 1 117 . 1 . 1 10 10 GLU CB C 13 29.5960 0.0000 . 1 . . . . . 10 GLU CB . 51070 1 118 . 1 . 1 10 10 GLU CG C 13 36.7930 0.0000 . 1 . . . . . 10 GLU CG . 51070 1 119 . 1 . 1 10 10 GLU N N 15 118.7440 0.0000 . 1 . . . . . 10 GLU N . 51070 1 120 . 1 . 1 11 11 SER H H 1 8.3610 0.0000 . 1 . . . . . 11 SER H . 51070 1 121 . 1 . 1 11 11 SER HA H 1 4.0750 0.0000 . 1 . . . . . 11 SER HA . 51070 1 122 . 1 . 1 11 11 SER HB2 H 1 3.7640 0.0000 . 2 . . . . . 11 SER HB2 . 51070 1 123 . 1 . 1 11 11 SER HB3 H 1 4.2690 0.0000 . 2 . . . . . 11 SER HB3 . 51070 1 124 . 1 . 1 11 11 SER C C 13 174.8790 0.0000 . 1 . . . . . 11 SER C . 51070 1 125 . 1 . 1 11 11 SER CA C 13 63.1400 0.0000 . 1 . . . . . 11 SER CA . 51070 1 126 . 1 . 1 11 11 SER CB C 13 63.1690 0.0000 . 1 . . . . . 11 SER CB . 51070 1 127 . 1 . 1 12 12 ILE H H 1 7.3480 0.0000 . 1 . . . . . 12 ILE H . 51070 1 128 . 1 . 1 12 12 ILE HA H 1 3.6860 0.0000 . 1 . . . . . 12 ILE HA . 51070 1 129 . 1 . 1 12 12 ILE HB H 1 2.1270 0.0000 . 1 . . . . . 12 ILE HB . 51070 1 130 . 1 . 1 12 12 ILE HG12 H 1 1.7520 0.0000 . 1 . . . . . 12 ILE HG12 . 51070 1 131 . 1 . 1 12 12 ILE HG13 H 1 0.9500 0.0000 . 1 . . . . . 12 ILE HG13 . 51070 1 132 . 1 . 1 12 12 ILE HG21 H 1 0.9400 0.0000 . 1 . . . . . 12 ILE HG21 . 51070 1 133 . 1 . 1 12 12 ILE HG22 H 1 0.9400 0.0000 . 1 . . . . . 12 ILE HG21 . 51070 1 134 . 1 . 1 12 12 ILE HG23 H 1 0.9400 0.0000 . 1 . . . . . 12 ILE HG21 . 51070 1 135 . 1 . 1 12 12 ILE HD11 H 1 0.9150 0.0000 . 1 . . . . . 12 ILE HD11 . 51070 1 136 . 1 . 1 12 12 ILE HD12 H 1 0.9150 0.0000 . 1 . . . . . 12 ILE HD11 . 51070 1 137 . 1 . 1 12 12 ILE HD13 H 1 0.9150 0.0000 . 1 . . . . . 12 ILE HD11 . 51070 1 138 . 1 . 1 12 12 ILE C C 13 177.8840 0.0000 . 1 . . . . . 12 ILE C . 51070 1 139 . 1 . 1 12 12 ILE CA C 13 65.2100 0.0000 . 1 . . . . . 12 ILE CA . 51070 1 140 . 1 . 1 12 12 ILE CB C 13 37.6440 0.0000 . 1 . . . . . 12 ILE CB . 51070 1 141 . 1 . 1 12 12 ILE CG1 C 13 29.2010 0.0000 . 1 . . . . . 12 ILE CG1 . 51070 1 142 . 1 . 1 12 12 ILE CG2 C 13 17.7280 0.0000 . 1 . . . . . 12 ILE CG2 . 51070 1 143 . 1 . 1 12 12 ILE CD1 C 13 17.0760 0.0000 . 1 . . . . . 12 ILE CD1 . 51070 1 144 . 1 . 1 12 12 ILE N N 15 122.8690 0.0000 . 1 . . . . . 12 ILE N . 51070 1 145 . 1 . 1 13 13 VAL H H 1 8.0340 0.0000 . 1 . . . . . 13 VAL H . 51070 1 146 . 1 . 1 13 13 VAL HA H 1 3.8480 0.0000 . 1 . . . . . 13 VAL HA . 51070 1 147 . 1 . 1 13 13 VAL HB H 1 2.1390 0.0000 . 1 . . . . . 13 VAL HB . 51070 1 148 . 1 . 1 13 13 VAL HG11 H 1 1.0120 0.0000 . 2 . . . . . 13 VAL HG11 . 51070 1 149 . 1 . 1 13 13 VAL HG12 H 1 1.0120 0.0000 . 2 . . . . . 13 VAL HG11 . 51070 1 150 . 1 . 1 13 13 VAL HG13 H 1 1.0120 0.0000 . 2 . . . . . 13 VAL HG11 . 51070 1 151 . 1 . 1 13 13 VAL HG21 H 1 1.1080 0.0000 . 2 . . . . . 13 VAL HG21 . 51070 1 152 . 1 . 1 13 13 VAL HG22 H 1 1.1080 0.0000 . 2 . . . . . 13 VAL HG21 . 51070 1 153 . 1 . 1 13 13 VAL HG23 H 1 1.1080 0.0000 . 2 . . . . . 13 VAL HG21 . 51070 1 154 . 1 . 1 13 13 VAL C C 13 178.3060 0.0000 . 1 . . . . . 13 VAL C . 51070 1 155 . 1 . 1 13 13 VAL CA C 13 66.3130 0.0000 . 1 . . . . . 13 VAL CA . 51070 1 156 . 1 . 1 13 13 VAL CB C 13 31.7390 0.0000 . 1 . . . . . 13 VAL CB . 51070 1 157 . 1 . 1 13 13 VAL CG1 C 13 21.5640 0.0000 . 1 . . . . . 13 VAL CG1 . 51070 1 158 . 1 . 1 13 13 VAL CG2 C 13 22.8180 0.0000 . 1 . . . . . 13 VAL CG2 . 51070 1 159 . 1 . 1 13 13 VAL N N 15 120.4190 0.0000 . 1 . . . . . 13 VAL N . 51070 1 160 . 1 . 1 14 14 CYS H H 1 8.3580 0.0000 . 1 . . . . . 14 CYS H . 51070 1 161 . 1 . 1 14 14 CYS HA H 1 4.0770 0.0000 . 1 . . . . . 14 CYS HA . 51070 1 162 . 1 . 1 14 14 CYS HB2 H 1 3.0070 0.0000 . 2 . . . . . 14 CYS HB2 . 51070 1 163 . 1 . 1 14 14 CYS HB3 H 1 3.1670 0.0000 . 2 . . . . . 14 CYS HB3 . 51070 1 164 . 1 . 1 14 14 CYS C C 13 177.5470 0.0000 . 1 . . . . . 14 CYS C . 51070 1 165 . 1 . 1 14 14 CYS CA C 13 63.1180 0.0000 . 1 . . . . . 14 CYS CA . 51070 1 166 . 1 . 1 14 14 CYS CB C 13 26.2730 0.0000 . 1 . . . . . 14 CYS CB . 51070 1 167 . 1 . 1 14 14 CYS N N 15 118.0570 0.0000 . 1 . . . . . 14 CYS N . 51070 1 168 . 1 . 1 15 15 LEU H H 1 7.6810 0.0000 . 1 . . . . . 15 LEU H . 51070 1 169 . 1 . 1 15 15 LEU HA H 1 4.1730 0.0000 . 1 . . . . . 15 LEU HA . 51070 1 170 . 1 . 1 15 15 LEU HB2 H 1 1.7960 0.0000 . 2 . . . . . 15 LEU HB2 . 51070 1 171 . 1 . 1 15 15 LEU HB3 H 1 1.8870 0.0000 . 2 . . . . . 15 LEU HB3 . 51070 1 172 . 1 . 1 15 15 LEU HG H 1 0.8970 0.0000 . 1 . . . . . 15 LEU HG . 51070 1 173 . 1 . 1 15 15 LEU HD11 H 1 1.0100 0.0000 . 2 . . . . . 15 LEU HD11 . 51070 1 174 . 1 . 1 15 15 LEU HD12 H 1 1.0100 0.0000 . 2 . . . . . 15 LEU HD11 . 51070 1 175 . 1 . 1 15 15 LEU HD13 H 1 1.0100 0.0000 . 2 . . . . . 15 LEU HD11 . 51070 1 176 . 1 . 1 15 15 LEU HD21 H 1 0.9540 0.0000 . 2 . . . . . 15 LEU HD21 . 51070 1 177 . 1 . 1 15 15 LEU HD22 H 1 0.9540 0.0000 . 2 . . . . . 15 LEU HD21 . 51070 1 178 . 1 . 1 15 15 LEU HD23 H 1 0.9540 0.0000 . 2 . . . . . 15 LEU HD21 . 51070 1 179 . 1 . 1 15 15 LEU C C 13 177.3790 0.0000 . 1 . . . . . 15 LEU C . 51070 1 180 . 1 . 1 15 15 LEU CA C 13 58.1780 0.0000 . 1 . . . . . 15 LEU CA . 51070 1 181 . 1 . 1 15 15 LEU CB C 13 41.5070 0.0000 . 1 . . . . . 15 LEU CB . 51070 1 182 . 1 . 1 15 15 LEU CG C 13 28.1000 0.0000 . 1 . . . . . 15 LEU CG . 51070 1 183 . 1 . 1 15 15 LEU CD1 C 13 24.8000 0.0000 . 1 . . . . . 15 LEU CD1 . 51070 1 184 . 1 . 1 15 15 LEU CD2 C 13 23.8100 0.0000 . 1 . . . . . 15 LEU CD2 . 51070 1 185 . 1 . 1 15 15 LEU N N 15 120.9450 0.0000 . 1 . . . . . 15 LEU N . 51070 1 186 . 1 . 1 16 16 GLN H H 1 8.6760 0.0000 . 1 . . . . . 16 GLN H . 51070 1 187 . 1 . 1 16 16 GLN HA H 1 3.9060 0.0000 . 1 . . . . . 16 GLN HA . 51070 1 188 . 1 . 1 16 16 GLN HB2 H 1 2.2980 0.0000 . 2 . . . . . 16 GLN HB2 . 51070 1 189 . 1 . 1 16 16 GLN HB3 H 1 2.2040 0.0000 . 2 . . . . . 16 GLN HB3 . 51070 1 190 . 1 . 1 16 16 GLN HG2 H 1 2.4920 0.0000 . 2 . . . . . 16 GLN HG2 . 51070 1 191 . 1 . 1 16 16 GLN HG3 H 1 2.3250 0.0000 . 2 . . . . . 16 GLN HG3 . 51070 1 192 . 1 . 1 16 16 GLN HE21 H 1 7.2320 0.0000 . 2 . . . . . 16 GLN HE21 . 51070 1 193 . 1 . 1 16 16 GLN C C 13 179.3000 0.0000 . 1 . . . . . 16 GLN C . 51070 1 194 . 1 . 1 16 16 GLN CA C 13 59.8300 0.0000 . 1 . . . . . 16 GLN CA . 51070 1 195 . 1 . 1 16 16 GLN CB C 13 29.1700 0.0000 . 1 . . . . . 16 GLN CB . 51070 1 196 . 1 . 1 16 16 GLN CG C 13 34.2480 0.0000 . 1 . . . . . 16 GLN CG . 51070 1 197 . 1 . 1 16 16 GLN N N 15 119.0200 0.0000 . 1 . . . . . 16 GLN N . 51070 1 198 . 1 . 1 16 16 GLN NE2 N 15 111.3190 0.0000 . 1 . . . . . 16 GLN NE2 . 51070 1 199 . 1 . 1 17 17 LYS H H 1 8.9480 0.0000 . 1 . . . . . 17 LYS H . 51070 1 200 . 1 . 1 17 17 LYS HA H 1 4.0460 0.0000 . 1 . . . . . 17 LYS HA . 51070 1 201 . 1 . 1 17 17 LYS HB2 H 1 1.8740 0.0000 . 2 . . . . . 17 LYS HB2 . 51070 1 202 . 1 . 1 17 17 LYS HB3 H 1 1.9440 0.0000 . 2 . . . . . 17 LYS HB3 . 51070 1 203 . 1 . 1 17 17 LYS HG2 H 1 1.4400 0.0000 . 2 . . . . . 17 LYS HG2 . 51070 1 204 . 1 . 1 17 17 LYS HG3 H 1 1.2890 0.0000 . 2 . . . . . 17 LYS HG3 . 51070 1 205 . 1 . 1 17 17 LYS HD2 H 1 1.6670 0.0000 . 2 . . . . . 17 LYS HD2 . 51070 1 206 . 1 . 1 17 17 LYS HD3 H 1 1.7270 0.0000 . 2 . . . . . 17 LYS HD3 . 51070 1 207 . 1 . 1 17 17 LYS HE2 H 1 2.9480 0.0000 . 2 . . . . . 17 LYS HE2 . 51070 1 208 . 1 . 1 17 17 LYS HE3 H 1 3.0180 0.0000 . 2 . . . . . 17 LYS HE3 . 51070 1 209 . 1 . 1 17 17 LYS C C 13 179.7890 0.0000 . 1 . . . . . 17 LYS C . 51070 1 210 . 1 . 1 17 17 LYS CA C 13 59.6030 0.0000 . 1 . . . . . 17 LYS CA . 51070 1 211 . 1 . 1 17 17 LYS CB C 13 32.5000 0.0000 . 1 . . . . . 17 LYS CB . 51070 1 212 . 1 . 1 17 17 LYS CG C 13 25.2300 0.0000 . 1 . . . . . 17 LYS CG . 51070 1 213 . 1 . 1 17 17 LYS CD C 13 29.5830 0.0000 . 1 . . . . . 17 LYS CD . 51070 1 214 . 1 . 1 17 17 LYS CE C 13 42.2000 0.0000 . 1 . . . . . 17 LYS CE . 51070 1 215 . 1 . 1 17 17 LYS N N 15 118.3500 0.0000 . 1 . . . . . 17 LYS N . 51070 1 216 . 1 . 1 18 18 ALA H H 1 8.1260 0.0000 . 1 . . . . . 18 ALA H . 51070 1 217 . 1 . 1 18 18 ALA HA H 1 4.2520 0.0000 . 1 . . . . . 18 ALA HA . 51070 1 218 . 1 . 1 18 18 ALA HB1 H 1 1.6010 0.0000 . 1 . . . . . 18 ALA HB1 . 51070 1 219 . 1 . 1 18 18 ALA HB2 H 1 1.6010 0.0000 . 1 . . . . . 18 ALA HB1 . 51070 1 220 . 1 . 1 18 18 ALA HB3 H 1 1.6010 0.0000 . 1 . . . . . 18 ALA HB1 . 51070 1 221 . 1 . 1 18 18 ALA C C 13 179.7530 0.0000 . 1 . . . . . 18 ALA C . 51070 1 222 . 1 . 1 18 18 ALA CA C 13 55.2770 0.0000 . 1 . . . . . 18 ALA CA . 51070 1 223 . 1 . 1 18 18 ALA CB C 13 20.0340 0.0000 . 1 . . . . . 18 ALA CB . 51070 1 224 . 1 . 1 18 18 ALA N N 15 123.0070 0.0000 . 1 . . . . . 18 ALA N . 51070 1 225 . 1 . 1 19 19 LEU H H 1 8.5470 0.0000 . 1 . . . . . 19 LEU H . 51070 1 226 . 1 . 1 19 19 LEU HA H 1 3.9860 0.0000 . 1 . . . . . 19 LEU HA . 51070 1 227 . 1 . 1 19 19 LEU HB2 H 1 1.9820 0.0000 . 2 . . . . . 19 LEU HB2 . 51070 1 228 . 1 . 1 19 19 LEU HB3 H 1 1.5160 0.0000 . 2 . . . . . 19 LEU HB3 . 51070 1 229 . 1 . 1 19 19 LEU HG H 1 0.9440 0.0000 . 1 . . . . . 19 LEU HG . 51070 1 230 . 1 . 1 19 19 LEU HD11 H 1 0.9500 0.0000 . 2 . . . . . 19 LEU HD11 . 51070 1 231 . 1 . 1 19 19 LEU HD12 H 1 0.9500 0.0000 . 2 . . . . . 19 LEU HD11 . 51070 1 232 . 1 . 1 19 19 LEU HD13 H 1 0.9500 0.0000 . 2 . . . . . 19 LEU HD11 . 51070 1 233 . 1 . 1 19 19 LEU HD21 H 1 0.9630 0.0000 . 2 . . . . . 19 LEU HD21 . 51070 1 234 . 1 . 1 19 19 LEU HD22 H 1 0.9630 0.0000 . 2 . . . . . 19 LEU HD21 . 51070 1 235 . 1 . 1 19 19 LEU HD23 H 1 0.9630 0.0000 . 2 . . . . . 19 LEU HD21 . 51070 1 236 . 1 . 1 19 19 LEU C C 13 179.9190 0.0000 . 1 . . . . . 19 LEU C . 51070 1 237 . 1 . 1 19 19 LEU CA C 13 58.3110 0.0000 . 1 . . . . . 19 LEU CA . 51070 1 238 . 1 . 1 19 19 LEU CB C 13 41.1770 0.0000 . 1 . . . . . 19 LEU CB . 51070 1 239 . 1 . 1 19 19 LEU CG C 13 26.6000 0.0000 . 1 . . . . . 19 LEU CG . 51070 1 240 . 1 . 1 19 19 LEU CD1 C 13 22.1750 0.0000 . 1 . . . . . 19 LEU CD1 . 51070 1 241 . 1 . 1 19 19 LEU CD2 C 13 23.8180 0.0000 . 1 . . . . . 19 LEU CD2 . 51070 1 242 . 1 . 1 19 19 LEU N N 15 117.6450 0.0000 . 1 . . . . . 19 LEU N . 51070 1 243 . 1 . 1 20 20 ASN H H 1 8.1000 0.0000 . 1 . . . . . 20 ASN H . 51070 1 244 . 1 . 1 20 20 ASN HA H 1 4.4230 0.0000 . 1 . . . . . 20 ASN HA . 51070 1 245 . 1 . 1 20 20 ASN HB2 H 1 2.9020 0.0000 . 2 . . . . . 20 ASN HB2 . 51070 1 246 . 1 . 1 20 20 ASN HB3 H 1 2.8670 0.0000 . 2 . . . . . 20 ASN HB3 . 51070 1 247 . 1 . 1 20 20 ASN HD21 H 1 7.6970 0.0000 . 2 . . . . . 20 ASN HD21 . 51070 1 248 . 1 . 1 20 20 ASN HD22 H 1 6.9770 0.0000 . 2 . . . . . 20 ASN HD22 . 51070 1 249 . 1 . 1 20 20 ASN C C 13 176.9400 0.0000 . 1 . . . . . 20 ASN C . 51070 1 250 . 1 . 1 20 20 ASN CA C 13 56.4440 0.0000 . 1 . . . . . 20 ASN CA . 51070 1 251 . 1 . 1 20 20 ASN CB C 13 38.3060 0.0000 . 1 . . . . . 20 ASN CB . 51070 1 252 . 1 . 1 20 20 ASN N N 15 118.6070 0.0000 . 1 . . . . . 20 ASN N . 51070 1 253 . 1 . 1 20 20 ASN ND2 N 15 112.5570 0.0000 . 1 . . . . . 20 ASN ND2 . 51070 1 254 . 1 . 1 21 21 HIS H H 1 8.2190 0.0000 . 1 . . . . . 21 HIS H . 51070 1 255 . 1 . 1 21 21 HIS HA H 1 4.3050 0.0000 . 1 . . . . . 21 HIS HA . 51070 1 256 . 1 . 1 21 21 HIS HB2 H 1 3.2990 0.0000 . 2 . . . . . 21 HIS HB2 . 51070 1 257 . 1 . 1 21 21 HIS HB3 H 1 3.2130 0.0000 . 2 . . . . . 21 HIS HB3 . 51070 1 258 . 1 . 1 21 21 HIS HD2 H 1 6.8740 0.0000 . 1 . . . . . 21 HIS HD2 . 51070 1 259 . 1 . 1 21 21 HIS HE1 H 1 7.8640 0.0000 . 1 . . . . . 21 HIS HE1 . 51070 1 260 . 1 . 1 21 21 HIS C C 13 177.6610 0.0000 . 1 . . . . . 21 HIS C . 51070 1 261 . 1 . 1 21 21 HIS CA C 13 58.9780 0.0000 . 1 . . . . . 21 HIS CA . 51070 1 262 . 1 . 1 21 21 HIS CB C 13 30.6480 0.0000 . 1 . . . . . 21 HIS CB . 51070 1 263 . 1 . 1 21 21 HIS CD2 C 13 119.5000 0.0000 . 1 . . . . . 21 HIS CD2 . 51070 1 264 . 1 . 1 21 21 HIS CE1 C 13 138.2060 0.0000 . 1 . . . . . 21 HIS CE1 . 51070 1 265 . 1 . 1 21 21 HIS N N 15 121.6320 0.0000 . 1 . . . . . 21 HIS N . 51070 1 266 . 1 . 1 22 22 LEU H H 1 8.1930 0.0000 . 1 . . . . . 22 LEU H . 51070 1 267 . 1 . 1 22 22 LEU HA H 1 3.2660 0.0000 . 1 . . . . . 22 LEU HA . 51070 1 268 . 1 . 1 22 22 LEU HB2 H 1 1.2950 0.0000 . 2 . . . . . 22 LEU HB2 . 51070 1 269 . 1 . 1 22 22 LEU HB3 H 1 1.2650 0.0000 . 2 . . . . . 22 LEU HB3 . 51070 1 270 . 1 . 1 22 22 LEU HG H 1 1.3210 0.0000 . 1 . . . . . 22 LEU HG . 51070 1 271 . 1 . 1 22 22 LEU HD11 H 1 0.7090 0.0000 . 2 . . . . . 22 LEU HD11 . 51070 1 272 . 1 . 1 22 22 LEU HD12 H 1 0.7090 0.0000 . 2 . . . . . 22 LEU HD11 . 51070 1 273 . 1 . 1 22 22 LEU HD13 H 1 0.7090 0.0000 . 2 . . . . . 22 LEU HD11 . 51070 1 274 . 1 . 1 22 22 LEU HD21 H 1 0.6050 0.0000 . 2 . . . . . 22 LEU HD21 . 51070 1 275 . 1 . 1 22 22 LEU HD22 H 1 0.6050 0.0000 . 2 . . . . . 22 LEU HD21 . 51070 1 276 . 1 . 1 22 22 LEU HD23 H 1 0.6050 0.0000 . 2 . . . . . 22 LEU HD21 . 51070 1 277 . 1 . 1 22 22 LEU C C 13 176.3340 0.0000 . 1 . . . . . 22 LEU C . 51070 1 278 . 1 . 1 22 22 LEU CA C 13 57.8440 0.0000 . 1 . . . . . 22 LEU CA . 51070 1 279 . 1 . 1 22 22 LEU CB C 13 40.5730 0.0000 . 1 . . . . . 22 LEU CB . 51070 1 280 . 1 . 1 22 22 LEU CG C 13 26.2720 0.0000 . 1 . . . . . 22 LEU CG . 51070 1 281 . 1 . 1 22 22 LEU CD1 C 13 24.6000 0.0000 . 1 . . . . . 22 LEU CD1 . 51070 1 282 . 1 . 1 22 22 LEU CD2 C 13 24.1000 0.0000 . 1 . . . . . 22 LEU CD2 . 51070 1 283 . 1 . 1 22 22 LEU N N 15 118.6070 0.0000 . 1 . . . . . 22 LEU N . 51070 1 284 . 1 . 1 23 23 ARG H H 1 7.3310 0.0000 . 1 . . . . . 23 ARG H . 51070 1 285 . 1 . 1 23 23 ARG HA H 1 3.7980 0.0000 . 1 . . . . . 23 ARG HA . 51070 1 286 . 1 . 1 23 23 ARG HB2 H 1 1.9020 0.0000 . 2 . . . . . 23 ARG HB2 . 51070 1 287 . 1 . 1 23 23 ARG HB3 H 1 1.9380 0.0000 . 2 . . . . . 23 ARG HB3 . 51070 1 288 . 1 . 1 23 23 ARG HG2 H 1 1.7580 0.0000 . 2 . . . . . 23 ARG HG2 . 51070 1 289 . 1 . 1 23 23 ARG HG3 H 1 1.8480 0.0000 . 2 . . . . . 23 ARG HG3 . 51070 1 290 . 1 . 1 23 23 ARG HD2 H 1 3.2740 0.0000 . 2 . . . . . 23 ARG HD2 . 51070 1 291 . 1 . 1 23 23 ARG HD3 H 1 3.2100 0.0000 . 2 . . . . . 23 ARG HD3 . 51070 1 292 . 1 . 1 23 23 ARG HE H 1 7.5380 0.0000 . 1 . . . . . 23 ARG HE . 51070 1 293 . 1 . 1 23 23 ARG C C 13 178.3240 0.0000 . 1 . . . . . 23 ARG C . 51070 1 294 . 1 . 1 23 23 ARG CA C 13 60.0390 0.0000 . 1 . . . . . 23 ARG CA . 51070 1 295 . 1 . 1 23 23 ARG CB C 13 29.5030 0.0000 . 1 . . . . . 23 ARG CB . 51070 1 296 . 1 . 1 23 23 ARG CG C 13 27.7780 0.0000 . 1 . . . . . 23 ARG CG . 51070 1 297 . 1 . 1 23 23 ARG CD C 13 43.5490 0.0000 . 1 . . . . . 23 ARG CD . 51070 1 298 . 1 . 1 23 23 ARG CZ C 13 169.8510 0.0000 . 1 . . . . . 23 ARG CZ . 51070 1 299 . 1 . 1 23 23 ARG N N 15 115.5820 0.0000 . 1 . . . . . 23 ARG N . 51070 1 300 . 1 . 1 23 23 ARG NE N 15 89.5700 0.0000 . 1 . . . . . 23 ARG NE . 51070 1 301 . 1 . 1 24 24 GLU H H 1 7.7850 0.0000 . 1 . . . . . 24 GLU H . 51070 1 302 . 1 . 1 24 24 GLU HA H 1 3.9670 0.0000 . 1 . . . . . 24 GLU HA . 51070 1 303 . 1 . 1 24 24 GLU HB2 H 1 2.0390 0.0000 . 2 . . . . . 24 GLU HB2 . 51070 1 304 . 1 . 1 24 24 GLU HB3 H 1 2.1880 0.0000 . 2 . . . . . 24 GLU HB3 . 51070 1 305 . 1 . 1 24 24 GLU HG2 H 1 2.4460 0.0000 . 2 . . . . . 24 GLU HG2 . 51070 1 306 . 1 . 1 24 24 GLU HG3 H 1 2.1960 0.0000 . 2 . . . . . 24 GLU HG3 . 51070 1 307 . 1 . 1 24 24 GLU C C 13 180.0080 0.0000 . 1 . . . . . 24 GLU C . 51070 1 308 . 1 . 1 24 24 GLU CA C 13 59.4170 0.0000 . 1 . . . . . 24 GLU CA . 51070 1 309 . 1 . 1 24 24 GLU CB C 13 29.3700 0.0000 . 1 . . . . . 24 GLU CB . 51070 1 310 . 1 . 1 24 24 GLU CG C 13 36.7450 0.0000 . 1 . . . . . 24 GLU CG . 51070 1 311 . 1 . 1 24 24 GLU N N 15 118.3320 0.0000 . 1 . . . . . 24 GLU N . 51070 1 312 . 1 . 1 25 25 ILE H H 1 7.7670 0.0000 . 1 . . . . . 25 ILE H . 51070 1 313 . 1 . 1 25 25 ILE HA H 1 3.6400 0.0000 . 1 . . . . . 25 ILE HA . 51070 1 314 . 1 . 1 25 25 ILE HB H 1 1.7810 0.0000 . 1 . . . . . 25 ILE HB . 51070 1 315 . 1 . 1 25 25 ILE HG12 H 1 1.5470 0.0000 . 1 . . . . . 25 ILE HG12 . 51070 1 316 . 1 . 1 25 25 ILE HG13 H 1 0.8790 0.0000 . 1 . . . . . 25 ILE HG13 . 51070 1 317 . 1 . 1 25 25 ILE HG21 H 1 0.8580 0.0000 . 1 . . . . . 25 ILE HG21 . 51070 1 318 . 1 . 1 25 25 ILE HG22 H 1 0.8580 0.0000 . 1 . . . . . 25 ILE HG21 . 51070 1 319 . 1 . 1 25 25 ILE HG23 H 1 0.8580 0.0000 . 1 . . . . . 25 ILE HG21 . 51070 1 320 . 1 . 1 25 25 ILE HD11 H 1 0.6630 0.0000 . 1 . . . . . 25 ILE HD11 . 51070 1 321 . 1 . 1 25 25 ILE HD12 H 1 0.6630 0.0000 . 1 . . . . . 25 ILE HD11 . 51070 1 322 . 1 . 1 25 25 ILE HD13 H 1 0.6630 0.0000 . 1 . . . . . 25 ILE HD11 . 51070 1 323 . 1 . 1 25 25 ILE C C 13 177.9300 0.0000 . 1 . . . . . 25 ILE C . 51070 1 324 . 1 . 1 25 25 ILE CA C 13 65.5130 0.0000 . 1 . . . . . 25 ILE CA . 51070 1 325 . 1 . 1 25 25 ILE CB C 13 37.3050 0.0000 . 1 . . . . . 25 ILE CB . 51070 1 326 . 1 . 1 25 25 ILE CG1 C 13 28.5700 0.0000 . 1 . . . . . 25 ILE CG1 . 51070 1 327 . 1 . 1 25 25 ILE CG2 C 13 17.8000 0.0000 . 1 . . . . . 25 ILE CG2 . 51070 1 328 . 1 . 1 25 25 ILE CD1 C 13 17.0000 0.0000 . 1 . . . . . 25 ILE CD1 . 51070 1 329 . 1 . 1 25 25 ILE N N 15 120.9450 0.0000 . 1 . . . . . 25 ILE N . 51070 1 330 . 1 . 1 26 26 TRP H H 1 8.6410 0.0000 . 1 . . . . . 26 TRP H . 51070 1 331 . 1 . 1 26 26 TRP HA H 1 4.4900 0.0000 . 1 . . . . . 26 TRP HA . 51070 1 332 . 1 . 1 26 26 TRP HB2 H 1 2.9270 0.0000 . 2 . . . . . 26 TRP HB2 . 51070 1 333 . 1 . 1 26 26 TRP HB3 H 1 2.9700 0.0000 . 2 . . . . . 26 TRP HB3 . 51070 1 334 . 1 . 1 26 26 TRP HD1 H 1 7.8020 0.0000 . 1 . . . . . 26 TRP HD1 . 51070 1 335 . 1 . 1 26 26 TRP HE3 H 1 7.9650 0.0000 . 1 . . . . . 26 TRP HE3 . 51070 1 336 . 1 . 1 26 26 TRP HZ2 H 1 6.9600 0.0000 . 1 . . . . . 26 TRP HZ2 . 51070 1 337 . 1 . 1 26 26 TRP HZ3 H 1 6.8750 0.0000 . 1 . . . . . 26 TRP HZ3 . 51070 1 338 . 1 . 1 26 26 TRP HH2 H 1 6.9060 0.0000 . 1 . . . . . 26 TRP HH2 . 51070 1 339 . 1 . 1 26 26 TRP C C 13 179.6130 0.0000 . 1 . . . . . 26 TRP C . 51070 1 340 . 1 . 1 26 26 TRP CA C 13 58.6370 0.0000 . 1 . . . . . 26 TRP CA . 51070 1 341 . 1 . 1 26 26 TRP CB C 13 27.9250 0.0000 . 1 . . . . . 26 TRP CB . 51070 1 342 . 1 . 1 26 26 TRP CD1 C 13 135.4900 0.0000 . 1 . . . . . 26 TRP CD1 . 51070 1 343 . 1 . 1 26 26 TRP CE3 C 13 127.6060 0.0000 . 1 . . . . . 26 TRP CE3 . 51070 1 344 . 1 . 1 26 26 TRP CZ2 C 13 120.1070 0.0000 . 1 . . . . . 26 TRP CZ2 . 51070 1 345 . 1 . 1 26 26 TRP CZ3 C 13 119.7320 0.0000 . 1 . . . . . 26 TRP CZ3 . 51070 1 346 . 1 . 1 26 26 TRP CH2 C 13 121.8420 0.0000 . 1 . . . . . 26 TRP CH2 . 51070 1 347 . 1 . 1 26 26 TRP N N 15 120.2570 0.0000 . 1 . . . . . 26 TRP N . 51070 1 348 . 1 . 1 27 27 GLU H H 1 8.6050 0.0000 . 1 . . . . . 27 GLU H . 51070 1 349 . 1 . 1 27 27 GLU HA H 1 4.1860 0.0000 . 1 . . . . . 27 GLU HA . 51070 1 350 . 1 . 1 27 27 GLU HB2 H 1 2.2550 0.0000 . 2 . . . . . 27 GLU HB2 . 51070 1 351 . 1 . 1 27 27 GLU HB3 H 1 2.1380 0.0000 . 2 . . . . . 27 GLU HB3 . 51070 1 352 . 1 . 1 27 27 GLU HG2 H 1 2.4320 0.0000 . 2 . . . . . 27 GLU HG2 . 51070 1 353 . 1 . 1 27 27 GLU HG3 H 1 2.4750 0.0000 . 2 . . . . . 27 GLU HG3 . 51070 1 354 . 1 . 1 27 27 GLU C C 13 178.8620 0.0000 . 1 . . . . . 27 GLU C . 51070 1 355 . 1 . 1 27 27 GLU CA C 13 58.5110 0.0000 . 1 . . . . . 27 GLU CA . 51070 1 356 . 1 . 1 27 27 GLU CB C 13 29.9700 0.0000 . 1 . . . . . 27 GLU CB . 51070 1 357 . 1 . 1 27 27 GLU CG C 13 36.4400 0.0000 . 1 . . . . . 27 GLU CG . 51070 1 358 . 1 . 1 27 27 GLU N N 15 118.4690 0.0000 . 1 . . . . . 27 GLU N . 51070 1 359 . 1 . 1 28 28 LEU H H 1 7.9750 0.0000 . 1 . . . . . 28 LEU H . 51070 1 360 . 1 . 1 28 28 LEU HA H 1 4.1800 0.0000 . 1 . . . . . 28 LEU HA . 51070 1 361 . 1 . 1 28 28 LEU HB2 H 1 1.8930 0.0000 . 2 . . . . . 28 LEU HB2 . 51070 1 362 . 1 . 1 28 28 LEU HB3 H 1 1.8650 0.0000 . 2 . . . . . 28 LEU HB3 . 51070 1 363 . 1 . 1 28 28 LEU HG H 1 1.6880 0.0000 . 1 . . . . . 28 LEU HG . 51070 1 364 . 1 . 1 28 28 LEU HD11 H 1 0.9280 0.0000 . 2 . . . . . 28 LEU HD11 . 51070 1 365 . 1 . 1 28 28 LEU HD12 H 1 0.9280 0.0000 . 2 . . . . . 28 LEU HD11 . 51070 1 366 . 1 . 1 28 28 LEU HD13 H 1 0.9280 0.0000 . 2 . . . . . 28 LEU HD11 . 51070 1 367 . 1 . 1 28 28 LEU HD21 H 1 0.9150 0.0000 . 2 . . . . . 28 LEU HD21 . 51070 1 368 . 1 . 1 28 28 LEU HD22 H 1 0.9150 0.0000 . 2 . . . . . 28 LEU HD21 . 51070 1 369 . 1 . 1 28 28 LEU HD23 H 1 0.9150 0.0000 . 2 . . . . . 28 LEU HD21 . 51070 1 370 . 1 . 1 28 28 LEU C C 13 179.5360 0.0000 . 1 . . . . . 28 LEU C . 51070 1 371 . 1 . 1 28 28 LEU CA C 13 58.2500 0.0000 . 1 . . . . . 28 LEU CA . 51070 1 372 . 1 . 1 28 28 LEU CB C 13 42.5070 0.0000 . 1 . . . . . 28 LEU CB . 51070 1 373 . 1 . 1 28 28 LEU CG C 13 26.9000 0.0000 . 1 . . . . . 28 LEU CG . 51070 1 374 . 1 . 1 28 28 LEU CD1 C 13 24.6000 0.0000 . 1 . . . . . 28 LEU CD1 . 51070 1 375 . 1 . 1 28 28 LEU CD2 C 13 25.0600 0.0000 . 1 . . . . . 28 LEU CD2 . 51070 1 376 . 1 . 1 28 28 LEU N N 15 121.3570 0.0000 . 1 . . . . . 28 LEU N . 51070 1 377 . 1 . 1 29 29 ILE H H 1 8.2290 0.0000 . 1 . . . . . 29 ILE H . 51070 1 378 . 1 . 1 29 29 ILE HA H 1 4.2780 0.0000 . 1 . . . . . 29 ILE HA . 51070 1 379 . 1 . 1 29 29 ILE HB H 1 2.0900 0.0000 . 1 . . . . . 29 ILE HB . 51070 1 380 . 1 . 1 29 29 ILE HG12 H 1 1.5450 0.0000 . 1 . . . . . 29 ILE HG12 . 51070 1 381 . 1 . 1 29 29 ILE HG13 H 1 1.5690 0.0000 . 1 . . . . . 29 ILE HG13 . 51070 1 382 . 1 . 1 29 29 ILE HG21 H 1 0.9540 0.0000 . 1 . . . . . 29 ILE HG21 . 51070 1 383 . 1 . 1 29 29 ILE HG22 H 1 0.9540 0.0000 . 1 . . . . . 29 ILE HG21 . 51070 1 384 . 1 . 1 29 29 ILE HG23 H 1 0.9540 0.0000 . 1 . . . . . 29 ILE HG21 . 51070 1 385 . 1 . 1 29 29 ILE HD11 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HD11 . 51070 1 386 . 1 . 1 29 29 ILE HD12 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HD11 . 51070 1 387 . 1 . 1 29 29 ILE HD13 H 1 0.8950 0.0000 . 1 . . . . . 29 ILE HD11 . 51070 1 388 . 1 . 1 29 29 ILE C C 13 176.5330 0.0000 . 1 . . . . . 29 ILE C . 51070 1 389 . 1 . 1 29 29 ILE CA C 13 61.9010 0.0000 . 1 . . . . . 29 ILE CA . 51070 1 390 . 1 . 1 29 29 ILE CB C 13 38.4390 0.0000 . 1 . . . . . 29 ILE CB . 51070 1 391 . 1 . 1 29 29 ILE CG1 C 13 27.0570 0.0000 . 1 . . . . . 29 ILE CG1 . 51070 1 392 . 1 . 1 29 29 ILE CG2 C 13 18.0000 0.0000 . 1 . . . . . 29 ILE CG2 . 51070 1 393 . 1 . 1 29 29 ILE CD1 C 13 17.0760 0.0000 . 1 . . . . . 29 ILE CD1 . 51070 1 394 . 1 . 1 29 29 ILE N N 15 111.7320 0.0000 . 1 . . . . . 29 ILE N . 51070 1 395 . 1 . 1 30 30 GLY H H 1 7.8750 0.0000 . 1 . . . . . 30 GLY H . 51070 1 396 . 1 . 1 30 30 GLY HA2 H 1 4.0350 0.0000 . 2 . . . . . 30 GLY HA2 . 51070 1 397 . 1 . 1 30 30 GLY HA3 H 1 3.8710 0.0000 . 2 . . . . . 30 GLY HA3 . 51070 1 398 . 1 . 1 30 30 GLY C C 13 175.9640 0.0000 . 1 . . . . . 30 GLY C . 51070 1 399 . 1 . 1 30 30 GLY CA C 13 46.7080 0.0000 . 1 . . . . . 30 GLY CA . 51070 1 400 . 1 . 1 30 30 GLY N N 15 110.4940 0.0000 . 1 . . . . . 30 GLY N . 51070 1 401 . 1 . 1 31 31 ILE H H 1 7.9170 0.0000 . 1 . . . . . 31 ILE H . 51070 1 402 . 1 . 1 31 31 ILE HA H 1 4.3310 0.0000 . 1 . . . . . 31 ILE HA . 51070 1 403 . 1 . 1 31 31 ILE HB H 1 1.7640 0.0000 . 1 . . . . . 31 ILE HB . 51070 1 404 . 1 . 1 31 31 ILE HG12 H 1 1.5190 0.0000 . 1 . . . . . 31 ILE HG12 . 51070 1 405 . 1 . 1 31 31 ILE HG21 H 1 0.6790 0.0000 . 1 . . . . . 31 ILE HG21 . 51070 1 406 . 1 . 1 31 31 ILE HG22 H 1 0.6790 0.0000 . 1 . . . . . 31 ILE HG21 . 51070 1 407 . 1 . 1 31 31 ILE HG23 H 1 0.6790 0.0000 . 1 . . . . . 31 ILE HG21 . 51070 1 408 . 1 . 1 31 31 ILE HD11 H 1 0.6740 0.0000 . 1 . . . . . 31 ILE HD11 . 51070 1 409 . 1 . 1 31 31 ILE HD12 H 1 0.6740 0.0000 . 1 . . . . . 31 ILE HD11 . 51070 1 410 . 1 . 1 31 31 ILE HD13 H 1 0.6740 0.0000 . 1 . . . . . 31 ILE HD11 . 51070 1 411 . 1 . 1 31 31 ILE CA C 13 57.3500 0.0000 . 1 . . . . . 31 ILE CA . 51070 1 412 . 1 . 1 31 31 ILE CB C 13 37.3350 0.0000 . 1 . . . . . 31 ILE CB . 51070 1 413 . 1 . 1 31 31 ILE CG1 C 13 27.1300 0.0000 . 1 . . . . . 31 ILE CG1 . 51070 1 414 . 1 . 1 31 31 ILE CG2 C 13 17.1800 0.0000 . 1 . . . . . 31 ILE CG2 . 51070 1 415 . 1 . 1 31 31 ILE CD1 C 13 13.1430 0.0000 . 1 . . . . . 31 ILE CD1 . 51070 1 416 . 1 . 1 31 31 ILE N N 15 120.6700 0.0000 . 1 . . . . . 31 ILE N . 51070 1 417 . 1 . 1 32 32 PRO HA H 1 4.5910 0.0000 . 1 . . . . . 32 PRO HA . 51070 1 418 . 1 . 1 32 32 PRO HB2 H 1 2.4470 0.0000 . 2 . . . . . 32 PRO HB2 . 51070 1 419 . 1 . 1 32 32 PRO HB3 H 1 2.2050 0.0000 . 2 . . . . . 32 PRO HB3 . 51070 1 420 . 1 . 1 32 32 PRO HG2 H 1 2.0280 0.0000 . 2 . . . . . 32 PRO HG2 . 51070 1 421 . 1 . 1 32 32 PRO HG3 H 1 2.1210 0.0000 . 2 . . . . . 32 PRO HG3 . 51070 1 422 . 1 . 1 32 32 PRO HD2 H 1 4.0300 0.0000 . 2 . . . . . 32 PRO HD2 . 51070 1 423 . 1 . 1 32 32 PRO HD3 H 1 3.5590 0.0000 . 2 . . . . . 32 PRO HD3 . 51070 1 424 . 1 . 1 32 32 PRO C C 13 179.5700 0.0000 . 1 . . . . . 32 PRO C . 51070 1 425 . 1 . 1 32 32 PRO CA C 13 62.9240 0.0000 . 1 . . . . . 32 PRO CA . 51070 1 426 . 1 . 1 32 32 PRO CB C 13 32.9820 0.0000 . 1 . . . . . 32 PRO CB . 51070 1 427 . 1 . 1 32 32 PRO CG C 13 28.0320 0.0000 . 1 . . . . . 32 PRO CG . 51070 1 428 . 1 . 1 32 32 PRO CD C 13 51.4060 0.0000 . 1 . . . . . 32 PRO CD . 51070 1 429 . 1 . 1 33 33 GLU HA H 1 4.0930 0.0000 . 1 . . . . . 33 GLU HA . 51070 1 430 . 1 . 1 33 33 GLU HB2 H 1 2.1520 0.0000 . 2 . . . . . 33 GLU HB2 . 51070 1 431 . 1 . 1 33 33 GLU HB3 H 1 2.2320 0.0000 . 2 . . . . . 33 GLU HB3 . 51070 1 432 . 1 . 1 33 33 GLU HG2 H 1 2.3570 0.0000 . 2 . . . . . 33 GLU HG2 . 51070 1 433 . 1 . 1 33 33 GLU HG3 H 1 2.5610 0.0000 . 2 . . . . . 33 GLU HG3 . 51070 1 434 . 1 . 1 33 33 GLU C C 13 177.0740 0.0000 . 1 . . . . . 33 GLU C . 51070 1 435 . 1 . 1 33 33 GLU CA C 13 58.6450 0.0000 . 1 . . . . . 33 GLU CA . 51070 1 436 . 1 . 1 33 33 GLU CB C 13 28.8360 0.0000 . 1 . . . . . 33 GLU CB . 51070 1 437 . 1 . 1 33 33 GLU CG C 13 34.1600 0.0000 . 1 . . . . . 33 GLU CG . 51070 1 438 . 1 . 1 34 34 ASP H H 1 8.8600 0.0000 . 1 . . . . . 34 ASP H . 51070 1 439 . 1 . 1 34 34 ASP HA H 1 4.2890 0.0000 . 1 . . . . . 34 ASP HA . 51070 1 440 . 1 . 1 34 34 ASP HB2 H 1 2.6850 0.0000 . 2 . . . . . 34 ASP HB2 . 51070 1 441 . 1 . 1 34 34 ASP HB3 H 1 2.5730 0.0000 . 2 . . . . . 34 ASP HB3 . 51070 1 442 . 1 . 1 34 34 ASP C C 13 178.8470 0.0000 . 1 . . . . . 34 ASP C . 51070 1 443 . 1 . 1 34 34 ASP CA C 13 57.3780 0.0000 . 1 . . . . . 34 ASP CA . 51070 1 444 . 1 . 1 34 34 ASP CB C 13 39.3060 0.0000 . 1 . . . . . 34 ASP CB . 51070 1 445 . 1 . 1 34 34 ASP N N 15 116.4070 0.0000 . 1 . . . . . 34 ASP N . 51070 1 446 . 1 . 1 35 35 GLN H H 1 7.1640 0.0000 . 1 . . . . . 35 GLN H . 51070 1 447 . 1 . 1 35 35 GLN HA H 1 4.0740 0.0000 . 1 . . . . . 35 GLN HA . 51070 1 448 . 1 . 1 35 35 GLN HB2 H 1 1.8720 0.0000 . 2 . . . . . 35 GLN HB2 . 51070 1 449 . 1 . 1 35 35 GLN HG2 H 1 2.2580 0.0000 . 2 . . . . . 35 GLN HG2 . 51070 1 450 . 1 . 1 35 35 GLN HG3 H 1 2.3580 0.0000 . 2 . . . . . 35 GLN HG3 . 51070 1 451 . 1 . 1 35 35 GLN HE21 H 1 7.7770 0.0000 . 2 . . . . . 35 GLN HE21 . 51070 1 452 . 1 . 1 35 35 GLN HE22 H 1 6.7050 0.0000 . 2 . . . . . 35 GLN HE22 . 51070 1 453 . 1 . 1 35 35 GLN C C 13 178.0430 0.0000 . 1 . . . . . 35 GLN C . 51070 1 454 . 1 . 1 35 35 GLN CA C 13 58.1110 0.0000 . 1 . . . . . 35 GLN CA . 51070 1 455 . 1 . 1 35 35 GLN CB C 13 28.8360 0.0000 . 1 . . . . . 35 GLN CB . 51070 1 456 . 1 . 1 35 35 GLN CG C 13 34.1860 0.0000 . 1 . . . . . 35 GLN CG . 51070 1 457 . 1 . 1 35 35 GLN N N 15 119.8440 0.0000 . 1 . . . . . 35 GLN N . 51070 1 458 . 1 . 1 35 35 GLN NE2 N 15 112.0070 0.0000 . 1 . . . . . 35 GLN NE2 . 51070 1 459 . 1 . 1 36 36 ARG H H 1 7.6770 0.0000 . 1 . . . . . 36 ARG H . 51070 1 460 . 1 . 1 36 36 ARG HA H 1 2.5140 0.0000 . 1 . . . . . 36 ARG HA . 51070 1 461 . 1 . 1 36 36 ARG HB2 H 1 1.9330 0.0000 . 2 . . . . . 36 ARG HB2 . 51070 1 462 . 1 . 1 36 36 ARG HB3 H 1 1.9760 0.0000 . 2 . . . . . 36 ARG HB3 . 51070 1 463 . 1 . 1 36 36 ARG HG2 H 1 1.7380 0.0000 . 2 . . . . . 36 ARG HG2 . 51070 1 464 . 1 . 1 36 36 ARG HG3 H 1 1.7980 0.0000 . 2 . . . . . 36 ARG HG3 . 51070 1 465 . 1 . 1 36 36 ARG HD2 H 1 3.2170 0.0000 . 2 . . . . . 36 ARG HD2 . 51070 1 466 . 1 . 1 36 36 ARG HD3 H 1 3.3420 0.0000 . 2 . . . . . 36 ARG HD3 . 51070 1 467 . 1 . 1 36 36 ARG C C 13 179.7150 0.0000 . 1 . . . . . 36 ARG C . 51070 1 468 . 1 . 1 36 36 ARG CA C 13 59.1110 0.0000 . 1 . . . . . 36 ARG CA . 51070 1 469 . 1 . 1 36 36 ARG CB C 13 30.0000 0.0000 . 1 . . . . . 36 ARG CB . 51070 1 470 . 1 . 1 36 36 ARG CG C 13 27.5750 0.0000 . 1 . . . . . 36 ARG CG . 51070 1 471 . 1 . 1 36 36 ARG CD C 13 43.7000 0.0000 . 1 . . . . . 36 ARG CD . 51070 1 472 . 1 . 1 36 36 ARG N N 15 120.1190 0.0000 . 1 . . . . . 36 ARG N . 51070 1 473 . 1 . 1 37 37 LEU H H 1 8.7160 0.0000 . 1 . . . . . 37 LEU H . 51070 1 474 . 1 . 1 37 37 LEU HA H 1 3.7140 0.0000 . 1 . . . . . 37 LEU HA . 51070 1 475 . 1 . 1 37 37 LEU HB2 H 1 1.7940 0.0000 . 2 . . . . . 37 LEU HB2 . 51070 1 476 . 1 . 1 37 37 LEU HB3 H 1 1.6400 0.0000 . 2 . . . . . 37 LEU HB3 . 51070 1 477 . 1 . 1 37 37 LEU HG H 1 1.5990 0.0000 . 1 . . . . . 37 LEU HG . 51070 1 478 . 1 . 1 37 37 LEU HD11 H 1 0.8610 0.0000 . 2 . . . . . 37 LEU HD11 . 51070 1 479 . 1 . 1 37 37 LEU HD12 H 1 0.8610 0.0000 . 2 . . . . . 37 LEU HD11 . 51070 1 480 . 1 . 1 37 37 LEU HD13 H 1 0.8610 0.0000 . 2 . . . . . 37 LEU HD11 . 51070 1 481 . 1 . 1 37 37 LEU HD21 H 1 0.7830 0.0000 . 2 . . . . . 37 LEU HD21 . 51070 1 482 . 1 . 1 37 37 LEU HD22 H 1 0.7830 0.0000 . 2 . . . . . 37 LEU HD21 . 51070 1 483 . 1 . 1 37 37 LEU HD23 H 1 0.7830 0.0000 . 2 . . . . . 37 LEU HD21 . 51070 1 484 . 1 . 1 37 37 LEU C C 13 177.8010 0.0000 . 1 . . . . . 37 LEU C . 51070 1 485 . 1 . 1 37 37 LEU CA C 13 58.5110 0.0000 . 1 . . . . . 37 LEU CA . 51070 1 486 . 1 . 1 37 37 LEU CB C 13 41.4100 0.0000 . 1 . . . . . 37 LEU CB . 51070 1 487 . 1 . 1 37 37 LEU CG C 13 26.7420 0.0000 . 1 . . . . . 37 LEU CG . 51070 1 488 . 1 . 1 37 37 LEU CD1 C 13 24.7790 0.0000 . 1 . . . . . 37 LEU CD1 . 51070 1 489 . 1 . 1 37 37 LEU CD2 C 13 23.5660 0.0000 . 1 . . . . . 37 LEU CD2 . 51070 1 490 . 1 . 1 37 37 LEU N N 15 121.3570 0.0000 . 1 . . . . . 37 LEU N . 51070 1 491 . 1 . 1 38 38 GLN H H 1 7.3640 0.0000 . 1 . . . . . 38 GLN H . 51070 1 492 . 1 . 1 38 38 GLN HA H 1 4.0220 0.0000 . 1 . . . . . 38 GLN HA . 51070 1 493 . 1 . 1 38 38 GLN HB2 H 1 2.1200 0.0000 . 2 . . . . . 38 GLN HB2 . 51070 1 494 . 1 . 1 38 38 GLN HB3 H 1 2.1700 0.0000 . 2 . . . . . 38 GLN HB3 . 51070 1 495 . 1 . 1 38 38 GLN HG2 H 1 2.5600 0.0000 . 2 . . . . . 38 GLN HG2 . 51070 1 496 . 1 . 1 38 38 GLN HG3 H 1 2.3870 0.0000 . 2 . . . . . 38 GLN HG3 . 51070 1 497 . 1 . 1 38 38 GLN HE21 H 1 7.3510 0.0000 . 2 . . . . . 38 GLN HE21 . 51070 1 498 . 1 . 1 38 38 GLN HE22 H 1 6.7740 0.0000 . 2 . . . . . 38 GLN HE22 . 51070 1 499 . 1 . 1 38 38 GLN C C 13 179.1120 0.0000 . 1 . . . . . 38 GLN C . 51070 1 500 . 1 . 1 38 38 GLN CA C 13 59.4170 0.0000 . 1 . . . . . 38 GLN CA . 51070 1 501 . 1 . 1 38 38 GLN CB C 13 28.3710 0.0000 . 1 . . . . . 38 GLN CB . 51070 1 502 . 1 . 1 38 38 GLN CG C 13 33.9490 0.0000 . 1 . . . . . 38 GLN CG . 51070 1 503 . 1 . 1 38 38 GLN N N 15 118.1950 0.0000 . 1 . . . . . 38 GLN N . 51070 1 504 . 1 . 1 38 38 GLN NE2 N 15 111.3190 0.0000 . 1 . . . . . 38 GLN NE2 . 51070 1 505 . 1 . 1 39 39 ARG H H 1 7.9150 0.0000 . 1 . . . . . 39 ARG H . 51070 1 506 . 1 . 1 39 39 ARG HA H 1 4.0900 0.0000 . 1 . . . . . 39 ARG HA . 51070 1 507 . 1 . 1 39 39 ARG HB2 H 1 1.8600 0.0000 . 2 . . . . . 39 ARG HB2 . 51070 1 508 . 1 . 1 39 39 ARG HB3 H 1 1.9580 0.0000 . 2 . . . . . 39 ARG HB3 . 51070 1 509 . 1 . 1 39 39 ARG HG2 H 1 1.6900 0.0000 . 2 . . . . . 39 ARG HG2 . 51070 1 510 . 1 . 1 39 39 ARG HG3 H 1 1.8030 0.0000 . 2 . . . . . 39 ARG HG3 . 51070 1 511 . 1 . 1 39 39 ARG HD2 H 1 3.2250 0.0000 . 2 . . . . . 39 ARG HD2 . 51070 1 512 . 1 . 1 39 39 ARG HD3 H 1 3.2690 0.0000 . 2 . . . . . 39 ARG HD3 . 51070 1 513 . 1 . 1 39 39 ARG HE H 1 8.2820 0.0000 . 1 . . . . . 39 ARG HE . 51070 1 514 . 1 . 1 39 39 ARG C C 13 178.9190 0.0000 . 1 . . . . . 39 ARG C . 51070 1 515 . 1 . 1 39 39 ARG CA C 13 58.6450 0.0000 . 1 . . . . . 39 ARG CA . 51070 1 516 . 1 . 1 39 39 ARG CB C 13 30.5700 0.0000 . 1 . . . . . 39 ARG CB . 51070 1 517 . 1 . 1 39 39 ARG CG C 13 27.5110 0.0000 . 1 . . . . . 39 ARG CG . 51070 1 518 . 1 . 1 39 39 ARG CD C 13 43.0870 0.0000 . 1 . . . . . 39 ARG CD . 51070 1 519 . 1 . 1 39 39 ARG CZ C 13 170.3700 0.0000 . 1 . . . . . 39 ARG CZ . 51070 1 520 . 1 . 1 39 39 ARG N N 15 116.8200 0.0000 . 1 . . . . . 39 ARG N . 51070 1 521 . 1 . 1 39 39 ARG NE N 15 81.7700 0.0000 . 1 . . . . . 39 ARG NE . 51070 1 522 . 1 . 1 40 40 THR H H 1 8.2280 0.0000 . 1 . . . . . 40 THR H . 51070 1 523 . 1 . 1 40 40 THR HA H 1 3.9600 0.0000 . 1 . . . . . 40 THR HA . 51070 1 524 . 1 . 1 40 40 THR HB H 1 4.2900 0.0000 . 1 . . . . . 40 THR HB . 51070 1 525 . 1 . 1 40 40 THR HG21 H 1 1.3960 0.0000 . 1 . . . . . 40 THR HG21 . 51070 1 526 . 1 . 1 40 40 THR HG22 H 1 1.3960 0.0000 . 1 . . . . . 40 THR HG21 . 51070 1 527 . 1 . 1 40 40 THR HG23 H 1 1.3960 0.0000 . 1 . . . . . 40 THR HG21 . 51070 1 528 . 1 . 1 40 40 THR C C 13 176.4610 0.0000 . 1 . . . . . 40 THR C . 51070 1 529 . 1 . 1 40 40 THR CA C 13 67.5000 0.0000 . 1 . . . . . 40 THR CA . 51070 1 530 . 1 . 1 40 40 THR CB C 13 67.9000 0.0000 . 1 . . . . . 40 THR CB . 51070 1 531 . 1 . 1 40 40 THR CG2 C 13 21.6480 0.0000 . 1 . . . . . 40 THR CG2 . 51070 1 532 . 1 . 1 40 40 THR N N 15 114.4820 0.0000 . 1 . . . . . 40 THR N . 51070 1 533 . 1 . 1 41 41 GLU H H 1 8.6000 0.0000 . 1 . . . . . 41 GLU H . 51070 1 534 . 1 . 1 41 41 GLU HA H 1 4.0420 0.0000 . 1 . . . . . 41 GLU HA . 51070 1 535 . 1 . 1 41 41 GLU HB2 H 1 2.2490 0.0000 . 2 . . . . . 41 GLU HB2 . 51070 1 536 . 1 . 1 41 41 GLU HB3 H 1 2.0370 0.0000 . 2 . . . . . 41 GLU HB3 . 51070 1 537 . 1 . 1 41 41 GLU HG2 H 1 2.2350 0.0000 . 2 . . . . . 41 GLU HG2 . 51070 1 538 . 1 . 1 41 41 GLU HG3 H 1 2.3390 0.0000 . 2 . . . . . 41 GLU HG3 . 51070 1 539 . 1 . 1 41 41 GLU C C 13 179.2160 0.0000 . 1 . . . . . 41 GLU C . 51070 1 540 . 1 . 1 41 41 GLU CA C 13 59.6760 0.0000 . 1 . . . . . 41 GLU CA . 51070 1 541 . 1 . 1 41 41 GLU CB C 13 29.3000 0.0000 . 1 . . . . . 41 GLU CB . 51070 1 542 . 1 . 1 41 41 GLU CG C 13 36.6500 0.0000 . 1 . . . . . 41 GLU CG . 51070 1 543 . 1 . 1 41 41 GLU N N 15 122.8700 0.0000 . 1 . . . . . 41 GLU N . 51070 1 544 . 1 . 1 42 42 VAL H H 1 7.4770 0.0000 . 1 . . . . . 42 VAL H . 51070 1 545 . 1 . 1 42 42 VAL HA H 1 3.6800 0.0000 . 1 . . . . . 42 VAL HA . 51070 1 546 . 1 . 1 42 42 VAL HB H 1 2.4460 0.0000 . 1 . . . . . 42 VAL HB . 51070 1 547 . 1 . 1 42 42 VAL HG11 H 1 1.1740 0.0000 . 2 . . . . . 42 VAL HG11 . 51070 1 548 . 1 . 1 42 42 VAL HG12 H 1 1.1740 0.0000 . 2 . . . . . 42 VAL HG11 . 51070 1 549 . 1 . 1 42 42 VAL HG13 H 1 1.1740 0.0000 . 2 . . . . . 42 VAL HG11 . 51070 1 550 . 1 . 1 42 42 VAL HG21 H 1 1.0070 0.0000 . 2 . . . . . 42 VAL HG21 . 51070 1 551 . 1 . 1 42 42 VAL HG22 H 1 1.0070 0.0000 . 2 . . . . . 42 VAL HG21 . 51070 1 552 . 1 . 1 42 42 VAL HG23 H 1 1.0070 0.0000 . 2 . . . . . 42 VAL HG21 . 51070 1 553 . 1 . 1 42 42 VAL C C 13 178.2600 0.0000 . 1 . . . . . 42 VAL C . 51070 1 554 . 1 . 1 42 42 VAL CA C 13 66.9800 0.0000 . 1 . . . . . 42 VAL CA . 51070 1 555 . 1 . 1 42 42 VAL CB C 13 31.7710 0.0000 . 1 . . . . . 42 VAL CB . 51070 1 556 . 1 . 1 42 42 VAL CG1 C 13 23.0710 0.0000 . 1 . . . . . 42 VAL CG1 . 51070 1 557 . 1 . 1 42 42 VAL CG2 C 13 21.8000 0.0000 . 1 . . . . . 42 VAL CG2 . 51070 1 558 . 1 . 1 42 42 VAL N N 15 120.1190 0.0000 . 1 . . . . . 42 VAL N . 51070 1 559 . 1 . 1 43 43 VAL H H 1 7.5610 0.0000 . 1 . . . . . 43 VAL H . 51070 1 560 . 1 . 1 43 43 VAL HA H 1 3.6100 0.0000 . 1 . . . . . 43 VAL HA . 51070 1 561 . 1 . 1 43 43 VAL HB H 1 2.4310 0.0000 . 1 . . . . . 43 VAL HB . 51070 1 562 . 1 . 1 43 43 VAL HG11 H 1 1.0080 0.0000 . 2 . . . . . 43 VAL HG11 . 51070 1 563 . 1 . 1 43 43 VAL HG12 H 1 1.0080 0.0000 . 2 . . . . . 43 VAL HG11 . 51070 1 564 . 1 . 1 43 43 VAL HG13 H 1 1.0080 0.0000 . 2 . . . . . 43 VAL HG11 . 51070 1 565 . 1 . 1 43 43 VAL HG21 H 1 1.1710 0.0000 . 2 . . . . . 43 VAL HG21 . 51070 1 566 . 1 . 1 43 43 VAL HG22 H 1 1.1710 0.0000 . 2 . . . . . 43 VAL HG21 . 51070 1 567 . 1 . 1 43 43 VAL HG23 H 1 1.1710 0.0000 . 2 . . . . . 43 VAL HG21 . 51070 1 568 . 1 . 1 43 43 VAL C C 13 177.0650 0.0000 . 1 . . . . . 43 VAL C . 51070 1 569 . 1 . 1 43 43 VAL CA C 13 67.4040 0.0000 . 1 . . . . . 43 VAL CA . 51070 1 570 . 1 . 1 43 43 VAL CB C 13 31.9280 0.0000 . 1 . . . . . 43 VAL CB . 51070 1 571 . 1 . 1 43 43 VAL CG1 C 13 21.6580 0.0000 . 1 . . . . . 43 VAL CG1 . 51070 1 572 . 1 . 1 43 43 VAL CG2 C 13 22.8950 0.0000 . 1 . . . . . 43 VAL CG2 . 51070 1 573 . 1 . 1 43 43 VAL N N 15 120.1190 0.0000 . 1 . . . . . 43 VAL N . 51070 1 574 . 1 . 1 44 44 LYS H H 1 8.2990 0.0000 . 1 . . . . . 44 LYS H . 51070 1 575 . 1 . 1 44 44 LYS HA H 1 3.8780 0.0000 . 1 . . . . . 44 LYS HA . 51070 1 576 . 1 . 1 44 44 LYS HB2 H 1 1.9420 0.0000 . 2 . . . . . 44 LYS HB2 . 51070 1 577 . 1 . 1 44 44 LYS HB3 H 1 2.0200 0.0000 . 2 . . . . . 44 LYS HB3 . 51070 1 578 . 1 . 1 44 44 LYS HG2 H 1 1.4990 0.0000 . 2 . . . . . 44 LYS HG2 . 51070 1 579 . 1 . 1 44 44 LYS HG3 H 1 1.4440 0.0000 . 2 . . . . . 44 LYS HG3 . 51070 1 580 . 1 . 1 44 44 LYS HD2 H 1 1.6750 0.0000 . 2 . . . . . 44 LYS HD2 . 51070 1 581 . 1 . 1 44 44 LYS HD3 H 1 1.6050 0.0000 . 2 . . . . . 44 LYS HD3 . 51070 1 582 . 1 . 1 44 44 LYS HE2 H 1 2.9350 0.0000 . 2 . . . . . 44 LYS HE2 . 51070 1 583 . 1 . 1 44 44 LYS HE3 H 1 3.0600 0.0000 . 2 . . . . . 44 LYS HE3 . 51070 1 584 . 1 . 1 44 44 LYS C C 13 178.2890 0.0000 . 1 . . . . . 44 LYS C . 51070 1 585 . 1 . 1 44 44 LYS CA C 13 60.2080 0.0000 . 1 . . . . . 44 LYS CA . 51070 1 586 . 1 . 1 44 44 LYS CB C 13 32.6370 0.0000 . 1 . . . . . 44 LYS CB . 51070 1 587 . 1 . 1 44 44 LYS CG C 13 25.2350 0.0000 . 1 . . . . . 44 LYS CG . 51070 1 588 . 1 . 1 44 44 LYS CD C 13 29.5500 0.0000 . 1 . . . . . 44 LYS CD . 51070 1 589 . 1 . 1 44 44 LYS CE C 13 42.2000 0.0000 . 1 . . . . . 44 LYS CE . 51070 1 590 . 1 . 1 44 44 LYS N N 15 118.8820 0.0000 . 1 . . . . . 44 LYS N . 51070 1 591 . 1 . 1 45 45 LYS H H 1 8.3210 0.0000 . 1 . . . . . 45 LYS H . 51070 1 592 . 1 . 1 45 45 LYS HA H 1 4.0180 0.0000 . 1 . . . . . 45 LYS HA . 51070 1 593 . 1 . 1 45 45 LYS HB2 H 1 1.9520 0.0000 . 2 . . . . . 45 LYS HB2 . 51070 1 594 . 1 . 1 45 45 LYS HB3 H 1 1.8690 0.0000 . 2 . . . . . 45 LYS HB3 . 51070 1 595 . 1 . 1 45 45 LYS HG2 H 1 1.3000 0.0000 . 2 . . . . . 45 LYS HG2 . 51070 1 596 . 1 . 1 45 45 LYS HD2 H 1 1.6650 0.0000 . 2 . . . . . 45 LYS HD2 . 51070 1 597 . 1 . 1 45 45 LYS HD3 H 1 1.6080 0.0000 . 2 . . . . . 45 LYS HD3 . 51070 1 598 . 1 . 1 45 45 LYS HE2 H 1 2.9420 0.0000 . 2 . . . . . 45 LYS HE2 . 51070 1 599 . 1 . 1 45 45 LYS HE3 H 1 2.9600 0.0000 . 2 . . . . . 45 LYS HE3 . 51070 1 600 . 1 . 1 45 45 LYS C C 13 178.8600 0.0000 . 1 . . . . . 45 LYS C . 51070 1 601 . 1 . 1 45 45 LYS CA C 13 59.3780 0.0000 . 1 . . . . . 45 LYS CA . 51070 1 602 . 1 . 1 45 45 LYS CB C 13 32.6370 0.0000 . 1 . . . . . 45 LYS CB . 51070 1 603 . 1 . 1 45 45 LYS CG C 13 25.1320 0.0000 . 1 . . . . . 45 LYS CG . 51070 1 604 . 1 . 1 45 45 LYS CD C 13 29.6130 0.0000 . 1 . . . . . 45 LYS CD . 51070 1 605 . 1 . 1 45 45 LYS CE C 13 42.0670 0.0000 . 1 . . . . . 45 LYS CE . 51070 1 606 . 1 . 1 45 45 LYS N N 15 118.7440 0.0000 . 1 . . . . . 45 LYS N . 51070 1 607 . 1 . 1 46 46 HIS H H 1 8.2490 0.0000 . 1 . . . . . 46 HIS H . 51070 1 608 . 1 . 1 46 46 HIS HA H 1 4.4500 0.0000 . 1 . . . . . 46 HIS HA . 51070 1 609 . 1 . 1 46 46 HIS HB2 H 1 3.2950 0.0000 . 2 . . . . . 46 HIS HB2 . 51070 1 610 . 1 . 1 46 46 HIS HB3 H 1 3.2250 0.0000 . 2 . . . . . 46 HIS HB3 . 51070 1 611 . 1 . 1 46 46 HIS HD2 H 1 6.7630 0.0000 . 1 . . . . . 46 HIS HD2 . 51070 1 612 . 1 . 1 46 46 HIS HE1 H 1 7.8020 0.0000 . 1 . . . . . 46 HIS HE1 . 51070 1 613 . 1 . 1 46 46 HIS C C 13 179.2260 0.0000 . 1 . . . . . 46 HIS C . 51070 1 614 . 1 . 1 46 46 HIS CA C 13 59.7130 0.0000 . 1 . . . . . 46 HIS CA . 51070 1 615 . 1 . 1 46 46 HIS CB C 13 30.8220 0.0000 . 1 . . . . . 46 HIS CB . 51070 1 616 . 1 . 1 46 46 HIS CD2 C 13 118.0500 0.0000 . 1 . . . . . 46 HIS CD2 . 51070 1 617 . 1 . 1 46 46 HIS CE1 C 13 138.8700 0.0000 . 1 . . . . . 46 HIS CE1 . 51070 1 618 . 1 . 1 46 46 HIS N N 15 117.7820 0.0000 . 1 . . . . . 46 HIS N . 51070 1 619 . 1 . 1 47 47 ILE H H 1 8.4590 0.0000 . 1 . . . . . 47 ILE H . 51070 1 620 . 1 . 1 47 47 ILE HA H 1 3.7060 0.0000 . 1 . . . . . 47 ILE HA . 51070 1 621 . 1 . 1 47 47 ILE HB H 1 2.1240 0.0000 . 1 . . . . . 47 ILE HB . 51070 1 622 . 1 . 1 47 47 ILE HG12 H 1 1.2640 0.0000 . 1 . . . . . 47 ILE HG12 . 51070 1 623 . 1 . 1 47 47 ILE HG13 H 1 1.9000 0.0000 . 1 . . . . . 47 ILE HG13 . 51070 1 624 . 1 . 1 47 47 ILE HG21 H 1 0.9660 0.0000 . 1 . . . . . 47 ILE HG21 . 51070 1 625 . 1 . 1 47 47 ILE HG22 H 1 0.9660 0.0000 . 1 . . . . . 47 ILE HG21 . 51070 1 626 . 1 . 1 47 47 ILE HG23 H 1 0.9660 0.0000 . 1 . . . . . 47 ILE HG21 . 51070 1 627 . 1 . 1 47 47 ILE HD11 H 1 0.9150 0.0000 . 1 . . . . . 47 ILE HD11 . 51070 1 628 . 1 . 1 47 47 ILE HD12 H 1 0.9150 0.0000 . 1 . . . . . 47 ILE HD11 . 51070 1 629 . 1 . 1 47 47 ILE HD13 H 1 0.9150 0.0000 . 1 . . . . . 47 ILE HD11 . 51070 1 630 . 1 . 1 47 47 ILE C C 13 176.8820 0.0000 . 1 . . . . . 47 ILE C . 51070 1 631 . 1 . 1 47 47 ILE CA C 13 65.1810 0.0000 . 1 . . . . . 47 ILE CA . 51070 1 632 . 1 . 1 47 47 ILE CB C 13 37.4780 0.0000 . 1 . . . . . 47 ILE CB . 51070 1 633 . 1 . 1 47 47 ILE CG1 C 13 29.2910 0.0000 . 1 . . . . . 47 ILE CG1 . 51070 1 634 . 1 . 1 47 47 ILE CG2 C 13 17.4000 0.0000 . 1 . . . . . 47 ILE CG2 . 51070 1 635 . 1 . 1 47 47 ILE CD1 C 13 17.0000 0.0000 . 1 . . . . . 47 ILE CD1 . 51070 1 636 . 1 . 1 47 47 ILE N N 15 119.8440 0.0000 . 1 . . . . . 47 ILE N . 51070 1 637 . 1 . 1 48 48 LYS H H 1 8.5360 0.0000 . 1 . . . . . 48 LYS H . 51070 1 638 . 1 . 1 48 48 LYS HA H 1 3.8890 0.0000 . 1 . . . . . 48 LYS HA . 51070 1 639 . 1 . 1 48 48 LYS HB2 H 1 2.0240 0.0000 . 2 . . . . . 48 LYS HB2 . 51070 1 640 . 1 . 1 48 48 LYS HB3 H 1 1.9400 0.0000 . 2 . . . . . 48 LYS HB3 . 51070 1 641 . 1 . 1 48 48 LYS HG2 H 1 1.4450 0.0000 . 2 . . . . . 48 LYS HG2 . 51070 1 642 . 1 . 1 48 48 LYS HG3 H 1 1.4950 0.0000 . 2 . . . . . 48 LYS HG3 . 51070 1 643 . 1 . 1 48 48 LYS HD2 H 1 1.7470 0.0000 . 2 . . . . . 48 LYS HD2 . 51070 1 644 . 1 . 1 48 48 LYS HD3 H 1 1.6000 0.0000 . 2 . . . . . 48 LYS HD3 . 51070 1 645 . 1 . 1 48 48 LYS HE2 H 1 2.9340 0.0000 . 2 . . . . . 48 LYS HE2 . 51070 1 646 . 1 . 1 48 48 LYS HE3 H 1 2.8760 0.0000 . 2 . . . . . 48 LYS HE3 . 51070 1 647 . 1 . 1 48 48 LYS C C 13 178.2210 0.0000 . 1 . . . . . 48 LYS C . 51070 1 648 . 1 . 1 48 48 LYS CA C 13 60.1360 0.0000 . 1 . . . . . 48 LYS CA . 51070 1 649 . 1 . 1 48 48 LYS CB C 13 32.5990 0.0000 . 1 . . . . . 48 LYS CB . 51070 1 650 . 1 . 1 48 48 LYS CG C 13 25.1000 0.0000 . 1 . . . . . 48 LYS CG . 51070 1 651 . 1 . 1 48 48 LYS CD C 13 29.3140 0.0000 . 1 . . . . . 48 LYS CD . 51070 1 652 . 1 . 1 48 48 LYS CE C 13 42.4350 0.0000 . 1 . . . . . 48 LYS CE . 51070 1 653 . 1 . 1 48 48 LYS N N 15 120.3950 0.0000 . 1 . . . . . 48 LYS N . 51070 1 654 . 1 . 1 49 49 GLU H H 1 8.2990 0.0000 . 1 . . . . . 49 GLU H . 51070 1 655 . 1 . 1 49 49 GLU HA H 1 4.0500 0.0000 . 1 . . . . . 49 GLU HA . 51070 1 656 . 1 . 1 49 49 GLU HB2 H 1 2.1500 0.0000 . 2 . . . . . 49 GLU HB2 . 51070 1 657 . 1 . 1 49 49 GLU HB3 H 1 2.0410 0.0000 . 2 . . . . . 49 GLU HB3 . 51070 1 658 . 1 . 1 49 49 GLU HG2 H 1 2.5530 0.0000 . 2 . . . . . 49 GLU HG2 . 51070 1 659 . 1 . 1 49 49 GLU HG3 H 1 2.2940 0.0000 . 2 . . . . . 49 GLU HG3 . 51070 1 660 . 1 . 1 49 49 GLU C C 13 179.6030 0.0000 . 1 . . . . . 49 GLU C . 51070 1 661 . 1 . 1 49 49 GLU CA C 13 59.6580 0.0000 . 1 . . . . . 49 GLU CA . 51070 1 662 . 1 . 1 49 49 GLU CB C 13 29.5810 0.0000 . 1 . . . . . 49 GLU CB . 51070 1 663 . 1 . 1 49 49 GLU CG C 13 37.0000 0.0000 . 1 . . . . . 49 GLU CG . 51070 1 664 . 1 . 1 49 49 GLU N N 15 116.9570 0.0000 . 1 . . . . . 49 GLU N . 51070 1 665 . 1 . 1 50 50 LEU H H 1 7.6040 0.0000 . 1 . . . . . 50 LEU H . 51070 1 666 . 1 . 1 50 50 LEU HA H 1 4.1750 0.0000 . 1 . . . . . 50 LEU HA . 51070 1 667 . 1 . 1 50 50 LEU HB2 H 1 1.8620 0.0000 . 2 . . . . . 50 LEU HB2 . 51070 1 668 . 1 . 1 50 50 LEU HB3 H 1 1.6190 0.0000 . 2 . . . . . 50 LEU HB3 . 51070 1 669 . 1 . 1 50 50 LEU HG H 1 0.8540 0.0000 . 1 . . . . . 50 LEU HG . 51070 1 670 . 1 . 1 50 50 LEU HD11 H 1 0.9270 0.0000 . 2 . . . . . 50 LEU HD11 . 51070 1 671 . 1 . 1 50 50 LEU HD12 H 1 0.9270 0.0000 . 2 . . . . . 50 LEU HD11 . 51070 1 672 . 1 . 1 50 50 LEU HD13 H 1 0.9270 0.0000 . 2 . . . . . 50 LEU HD11 . 51070 1 673 . 1 . 1 50 50 LEU HD21 H 1 0.7810 0.0000 . 2 . . . . . 50 LEU HD21 . 51070 1 674 . 1 . 1 50 50 LEU HD22 H 1 0.7810 0.0000 . 2 . . . . . 50 LEU HD21 . 51070 1 675 . 1 . 1 50 50 LEU HD23 H 1 0.7810 0.0000 . 2 . . . . . 50 LEU HD21 . 51070 1 676 . 1 . 1 50 50 LEU C C 13 178.7070 0.0000 . 1 . . . . . 50 LEU C . 51070 1 677 . 1 . 1 50 50 LEU CA C 13 57.8000 0.0000 . 1 . . . . . 50 LEU CA . 51070 1 678 . 1 . 1 50 50 LEU CB C 13 41.9470 0.0000 . 1 . . . . . 50 LEU CB . 51070 1 679 . 1 . 1 50 50 LEU CG C 13 26.0000 0.0000 . 1 . . . . . 50 LEU CG . 51070 1 680 . 1 . 1 50 50 LEU CD1 C 13 24.3000 0.0000 . 1 . . . . . 50 LEU CD1 . 51070 1 681 . 1 . 1 50 50 LEU CD2 C 13 23.5740 0.0000 . 1 . . . . . 50 LEU CD2 . 51070 1 682 . 1 . 1 50 50 LEU N N 15 120.1190 0.0000 . 1 . . . . . 50 LEU N . 51070 1 683 . 1 . 1 51 51 LEU H H 1 8.2510 0.0000 . 1 . . . . . 51 LEU H . 51070 1 684 . 1 . 1 51 51 LEU HA H 1 4.0150 0.0000 . 1 . . . . . 51 LEU HA . 51070 1 685 . 1 . 1 51 51 LEU HB2 H 1 1.4770 0.0000 . 2 . . . . . 51 LEU HB2 . 51070 1 686 . 1 . 1 51 51 LEU HB3 H 1 2.0170 0.0000 . 2 . . . . . 51 LEU HB3 . 51070 1 687 . 1 . 1 51 51 LEU HG H 1 1.9760 0.0000 . 1 . . . . . 51 LEU HG . 51070 1 688 . 1 . 1 51 51 LEU HD11 H 1 0.8940 0.0000 . 2 . . . . . 51 LEU HD11 . 51070 1 689 . 1 . 1 51 51 LEU HD12 H 1 0.8940 0.0000 . 2 . . . . . 51 LEU HD11 . 51070 1 690 . 1 . 1 51 51 LEU HD13 H 1 0.8940 0.0000 . 2 . . . . . 51 LEU HD11 . 51070 1 691 . 1 . 1 51 51 LEU HD21 H 1 0.8720 0.0000 . 2 . . . . . 51 LEU HD21 . 51070 1 692 . 1 . 1 51 51 LEU HD22 H 1 0.8720 0.0000 . 2 . . . . . 51 LEU HD21 . 51070 1 693 . 1 . 1 51 51 LEU HD23 H 1 0.8720 0.0000 . 2 . . . . . 51 LEU HD21 . 51070 1 694 . 1 . 1 51 51 LEU C C 13 179.0770 0.0000 . 1 . . . . . 51 LEU C . 51070 1 695 . 1 . 1 51 51 LEU CA C 13 56.9100 0.0000 . 1 . . . . . 51 LEU CA . 51070 1 696 . 1 . 1 51 51 LEU CB C 13 40.1870 0.0000 . 1 . . . . . 51 LEU CB . 51070 1 697 . 1 . 1 51 51 LEU CG C 13 27.2920 0.0000 . 1 . . . . . 51 LEU CG . 51070 1 698 . 1 . 1 51 51 LEU CD1 C 13 25.5470 0.0000 . 1 . . . . . 51 LEU CD1 . 51070 1 699 . 1 . 1 51 51 LEU CD2 C 13 22.2450 0.0000 . 1 . . . . . 51 LEU CD2 . 51070 1 700 . 1 . 1 51 51 LEU N N 15 120.2570 0.0000 . 1 . . . . . 51 LEU N . 51070 1 701 . 1 . 1 52 52 ASP H H 1 9.0400 0.0000 . 1 . . . . . 52 ASP H . 51070 1 702 . 1 . 1 52 52 ASP HA H 1 4.3820 0.0000 . 1 . . . . . 52 ASP HA . 51070 1 703 . 1 . 1 52 52 ASP HB2 H 1 2.8420 0.0000 . 2 . . . . . 52 ASP HB2 . 51070 1 704 . 1 . 1 52 52 ASP HB3 H 1 2.5610 0.0000 . 2 . . . . . 52 ASP HB3 . 51070 1 705 . 1 . 1 52 52 ASP C C 13 180.0710 0.0000 . 1 . . . . . 52 ASP C . 51070 1 706 . 1 . 1 52 52 ASP CA C 13 57.5110 0.0000 . 1 . . . . . 52 ASP CA . 51070 1 707 . 1 . 1 52 52 ASP CB C 13 39.7000 0.0000 . 1 . . . . . 52 ASP CB . 51070 1 708 . 1 . 1 52 52 ASP N N 15 119.8440 0.0000 . 1 . . . . . 52 ASP N . 51070 1 709 . 1 . 1 53 53 MET H H 1 7.6530 0.0000 . 1 . . . . . 53 MET H . 51070 1 710 . 1 . 1 53 53 MET HA H 1 4.2440 0.0000 . 1 . . . . . 53 MET HA . 51070 1 711 . 1 . 1 53 53 MET HB2 H 1 2.3500 0.0000 . 2 . . . . . 53 MET HB2 . 51070 1 712 . 1 . 1 53 53 MET HB3 H 1 2.2950 0.0000 . 2 . . . . . 53 MET HB3 . 51070 1 713 . 1 . 1 53 53 MET HG2 H 1 2.7720 0.0000 . 2 . . . . . 53 MET HG2 . 51070 1 714 . 1 . 1 53 53 MET HG3 H 1 2.5710 0.0000 . 2 . . . . . 53 MET HG3 . 51070 1 715 . 1 . 1 53 53 MET HE1 H 1 2.1020 0.0000 . 1 . . . . . 53 MET HE1 . 51070 1 716 . 1 . 1 53 53 MET HE2 H 1 2.1020 0.0000 . 1 . . . . . 53 MET HE1 . 51070 1 717 . 1 . 1 53 53 MET HE3 H 1 2.1020 0.0000 . 1 . . . . . 53 MET HE1 . 51070 1 718 . 1 . 1 53 53 MET C C 13 178.6120 0.0000 . 1 . . . . . 53 MET C . 51070 1 719 . 1 . 1 53 53 MET CA C 13 59.1000 0.0000 . 1 . . . . . 53 MET CA . 51070 1 720 . 1 . 1 53 53 MET CB C 13 32.3000 0.0000 . 1 . . . . . 53 MET CB . 51070 1 721 . 1 . 1 53 53 MET CG C 13 31.7880 0.0000 . 1 . . . . . 53 MET CG . 51070 1 722 . 1 . 1 53 53 MET CE C 13 17.4020 0.0000 . 1 . . . . . 53 MET CE . 51070 1 723 . 1 . 1 53 53 MET N N 15 120.6200 0.0000 . 1 . . . . . 53 MET N . 51070 1 724 . 1 . 1 54 54 MET H H 1 8.0820 0.0000 . 1 . . . . . 54 MET H . 51070 1 725 . 1 . 1 54 54 MET HA H 1 4.2550 0.0000 . 1 . . . . . 54 MET HA . 51070 1 726 . 1 . 1 54 54 MET HB2 H 1 2.6220 0.0000 . 2 . . . . . 54 MET HB2 . 51070 1 727 . 1 . 1 54 54 MET HB3 H 1 2.8410 0.0000 . 2 . . . . . 54 MET HB3 . 51070 1 728 . 1 . 1 54 54 MET HG2 H 1 2.5920 0.0000 . 2 . . . . . 54 MET HG2 . 51070 1 729 . 1 . 1 54 54 MET HG3 H 1 2.2870 0.0000 . 2 . . . . . 54 MET HG3 . 51070 1 730 . 1 . 1 54 54 MET HE1 H 1 2.0850 0.0000 . 1 . . . . . 54 MET HE1 . 51070 1 731 . 1 . 1 54 54 MET HE2 H 1 2.0850 0.0000 . 1 . . . . . 54 MET HE1 . 51070 1 732 . 1 . 1 54 54 MET HE3 H 1 2.0850 0.0000 . 1 . . . . . 54 MET HE1 . 51070 1 733 . 1 . 1 54 54 MET C C 13 179.0350 0.0000 . 1 . . . . . 54 MET C . 51070 1 734 . 1 . 1 54 54 MET CA C 13 59.0960 0.0000 . 1 . . . . . 54 MET CA . 51070 1 735 . 1 . 1 54 54 MET CB C 13 32.7040 0.0000 . 1 . . . . . 54 MET CB . 51070 1 736 . 1 . 1 54 54 MET CG C 13 32.3040 0.0000 . 1 . . . . . 54 MET CG . 51070 1 737 . 1 . 1 54 54 MET CE C 13 16.9800 0.0000 . 1 . . . . . 54 MET CE . 51070 1 738 . 1 . 1 54 54 MET N N 15 119.9820 0.0000 . 1 . . . . . 54 MET N . 51070 1 739 . 1 . 1 55 55 ILE H H 1 8.9040 0.0000 . 1 . . . . . 55 ILE H . 51070 1 740 . 1 . 1 55 55 ILE HA H 1 3.5130 0.0000 . 1 . . . . . 55 ILE HA . 51070 1 741 . 1 . 1 55 55 ILE HB H 1 1.8890 0.0000 . 1 . . . . . 55 ILE HB . 51070 1 742 . 1 . 1 55 55 ILE HG12 H 1 0.7860 0.0000 . 1 . . . . . 55 ILE HG12 . 51070 1 743 . 1 . 1 55 55 ILE HG13 H 1 1.7700 0.0000 . 1 . . . . . 55 ILE HG13 . 51070 1 744 . 1 . 1 55 55 ILE HG21 H 1 0.7670 0.0000 . 1 . . . . . 55 ILE HG21 . 51070 1 745 . 1 . 1 55 55 ILE HG22 H 1 0.7670 0.0000 . 1 . . . . . 55 ILE HG21 . 51070 1 746 . 1 . 1 55 55 ILE HG23 H 1 0.7670 0.0000 . 1 . . . . . 55 ILE HG21 . 51070 1 747 . 1 . 1 55 55 ILE HD11 H 1 0.8660 0.0000 . 1 . . . . . 55 ILE HD11 . 51070 1 748 . 1 . 1 55 55 ILE HD12 H 1 0.8660 0.0000 . 1 . . . . . 55 ILE HD11 . 51070 1 749 . 1 . 1 55 55 ILE HD13 H 1 0.8660 0.0000 . 1 . . . . . 55 ILE HD11 . 51070 1 750 . 1 . 1 55 55 ILE C C 13 177.3030 0.0000 . 1 . . . . . 55 ILE C . 51070 1 751 . 1 . 1 55 55 ILE CA C 13 65.9510 0.0000 . 1 . . . . . 55 ILE CA . 51070 1 752 . 1 . 1 55 55 ILE CB C 13 37.8990 0.0000 . 1 . . . . . 55 ILE CB . 51070 1 753 . 1 . 1 55 55 ILE CG1 C 13 30.9840 0.0000 . 1 . . . . . 55 ILE CG1 . 51070 1 754 . 1 . 1 55 55 ILE CG2 C 13 17.6050 0.0000 . 1 . . . . . 55 ILE CG2 . 51070 1 755 . 1 . 1 55 55 ILE CD1 C 13 16.1910 0.0000 . 1 . . . . . 55 ILE CD1 . 51070 1 756 . 1 . 1 55 55 ILE N N 15 120.5320 0.0000 . 1 . . . . . 55 ILE N . 51070 1 757 . 1 . 1 56 56 ALA H H 1 7.9490 0.0000 . 1 . . . . . 56 ALA H . 51070 1 758 . 1 . 1 56 56 ALA HA H 1 4.1900 0.0000 . 1 . . . . . 56 ALA HA . 51070 1 759 . 1 . 1 56 56 ALA HB1 H 1 1.5380 0.0000 . 1 . . . . . 56 ALA HB1 . 51070 1 760 . 1 . 1 56 56 ALA HB2 H 1 1.5380 0.0000 . 1 . . . . . 56 ALA HB1 . 51070 1 761 . 1 . 1 56 56 ALA HB3 H 1 1.5380 0.0000 . 1 . . . . . 56 ALA HB1 . 51070 1 762 . 1 . 1 56 56 ALA C C 13 181.3560 0.0000 . 1 . . . . . 56 ALA C . 51070 1 763 . 1 . 1 56 56 ALA CA C 13 55.2610 0.0000 . 1 . . . . . 56 ALA CA . 51070 1 764 . 1 . 1 56 56 ALA CB C 13 17.9030 0.0000 . 1 . . . . . 56 ALA CB . 51070 1 765 . 1 . 1 56 56 ALA N N 15 121.3570 0.0000 . 1 . . . . . 56 ALA N . 51070 1 766 . 1 . 1 57 57 GLU H H 1 7.9160 0.0000 . 1 . . . . . 57 GLU H . 51070 1 767 . 1 . 1 57 57 GLU HA H 1 4.1280 0.0000 . 1 . . . . . 57 GLU HA . 51070 1 768 . 1 . 1 57 57 GLU HB2 H 1 2.1560 0.0000 . 2 . . . . . 57 GLU HB2 . 51070 1 769 . 1 . 1 57 57 GLU HB3 H 1 2.3080 0.0000 . 2 . . . . . 57 GLU HB3 . 51070 1 770 . 1 . 1 57 57 GLU HG2 H 1 2.5120 0.0000 . 2 . . . . . 57 GLU HG2 . 51070 1 771 . 1 . 1 57 57 GLU HG3 H 1 2.4190 0.0000 . 2 . . . . . 57 GLU HG3 . 51070 1 772 . 1 . 1 57 57 GLU C C 13 179.5190 0.0000 . 1 . . . . . 57 GLU C . 51070 1 773 . 1 . 1 57 57 GLU CA C 13 59.4900 0.0000 . 1 . . . . . 57 GLU CA . 51070 1 774 . 1 . 1 57 57 GLU CB C 13 29.4060 0.0000 . 1 . . . . . 57 GLU CB . 51070 1 775 . 1 . 1 57 57 GLU CG C 13 36.4900 0.0000 . 1 . . . . . 57 GLU CG . 51070 1 776 . 1 . 1 57 57 GLU N N 15 118.8820 0.0000 . 1 . . . . . 57 GLU N . 51070 1 777 . 1 . 1 58 58 GLU H H 1 8.2720 0.0000 . 1 . . . . . 58 GLU H . 51070 1 778 . 1 . 1 58 58 GLU HA H 1 4.0610 0.0000 . 1 . . . . . 58 GLU HA . 51070 1 779 . 1 . 1 58 58 GLU HB2 H 1 2.0490 0.0000 . 2 . . . . . 58 GLU HB2 . 51070 1 780 . 1 . 1 58 58 GLU HB3 H 1 2.1560 0.0000 . 2 . . . . . 58 GLU HB3 . 51070 1 781 . 1 . 1 58 58 GLU HG2 H 1 2.4040 0.0000 . 2 . . . . . 58 GLU HG2 . 51070 1 782 . 1 . 1 58 58 GLU HG3 H 1 2.5370 0.0000 . 2 . . . . . 58 GLU HG3 . 51070 1 783 . 1 . 1 58 58 GLU C C 13 179.5770 0.0000 . 1 . . . . . 58 GLU C . 51070 1 784 . 1 . 1 58 58 GLU CA C 13 59.4000 0.0000 . 1 . . . . . 58 GLU CA . 51070 1 785 . 1 . 1 58 58 GLU CB C 13 29.6670 0.0000 . 1 . . . . . 58 GLU CB . 51070 1 786 . 1 . 1 58 58 GLU CG C 13 36.8410 0.0000 . 1 . . . . . 58 GLU CG . 51070 1 787 . 1 . 1 58 58 GLU N N 15 122.3200 0.0000 . 1 . . . . . 58 GLU N . 51070 1 788 . 1 . 1 59 59 GLU H H 1 8.9440 0.0000 . 1 . . . . . 59 GLU H . 51070 1 789 . 1 . 1 59 59 GLU HA H 1 4.0590 0.0000 . 1 . . . . . 59 GLU HA . 51070 1 790 . 1 . 1 59 59 GLU HB2 H 1 2.1550 0.0000 . 2 . . . . . 59 GLU HB2 . 51070 1 791 . 1 . 1 59 59 GLU HB3 H 1 2.0430 0.0000 . 2 . . . . . 59 GLU HB3 . 51070 1 792 . 1 . 1 59 59 GLU HG2 H 1 2.3170 0.0000 . 2 . . . . . 59 GLU HG2 . 51070 1 793 . 1 . 1 59 59 GLU HG3 H 1 2.4940 0.0000 . 2 . . . . . 59 GLU HG3 . 51070 1 794 . 1 . 1 59 59 GLU C C 13 179.6540 0.0000 . 1 . . . . . 59 GLU C . 51070 1 795 . 1 . 1 59 59 GLU CA C 13 59.3780 0.0000 . 1 . . . . . 59 GLU CA . 51070 1 796 . 1 . 1 59 59 GLU CB C 13 29.2360 0.0000 . 1 . . . . . 59 GLU CB . 51070 1 797 . 1 . 1 59 59 GLU CG C 13 34.2500 0.0000 . 1 . . . . . 59 GLU CG . 51070 1 798 . 1 . 1 59 59 GLU N N 15 118.1950 0.0000 . 1 . . . . . 59 GLU N . 51070 1 799 . 1 . 1 60 60 SER H H 1 7.9420 0.0000 . 1 . . . . . 60 SER H . 51070 1 800 . 1 . 1 60 60 SER HA H 1 4.3850 0.0000 . 1 . . . . . 60 SER HA . 51070 1 801 . 1 . 1 60 60 SER HB2 H 1 4.0980 0.0000 . 2 . . . . . 60 SER HB2 . 51070 1 802 . 1 . 1 60 60 SER HB3 H 1 4.0560 0.0000 . 2 . . . . . 60 SER HB3 . 51070 1 803 . 1 . 1 60 60 SER C C 13 176.5250 0.0000 . 1 . . . . . 60 SER C . 51070 1 804 . 1 . 1 60 60 SER CA C 13 61.2400 0.0000 . 1 . . . . . 60 SER CA . 51070 1 805 . 1 . 1 60 60 SER CB C 13 62.9520 0.0000 . 1 . . . . . 60 SER CB . 51070 1 806 . 1 . 1 60 60 SER N N 15 115.4440 0.0000 . 1 . . . . . 60 SER N . 51070 1 807 . 1 . 1 61 61 LEU H H 1 7.8000 0.0000 . 1 . . . . . 61 LEU H . 51070 1 808 . 1 . 1 61 61 LEU HA H 1 4.1720 0.0000 . 1 . . . . . 61 LEU HA . 51070 1 809 . 1 . 1 61 61 LEU HB2 H 1 1.7720 0.0000 . 2 . . . . . 61 LEU HB2 . 51070 1 810 . 1 . 1 61 61 LEU HB3 H 1 1.8560 0.0000 . 2 . . . . . 61 LEU HB3 . 51070 1 811 . 1 . 1 61 61 LEU HG H 1 1.7680 0.0000 . 1 . . . . . 61 LEU HG . 51070 1 812 . 1 . 1 61 61 LEU HD11 H 1 1.0120 0.0000 . 2 . . . . . 61 LEU HD11 . 51070 1 813 . 1 . 1 61 61 LEU HD12 H 1 1.0120 0.0000 . 2 . . . . . 61 LEU HD11 . 51070 1 814 . 1 . 1 61 61 LEU HD13 H 1 1.0120 0.0000 . 2 . . . . . 61 LEU HD11 . 51070 1 815 . 1 . 1 61 61 LEU HD21 H 1 0.9530 0.0000 . 2 . . . . . 61 LEU HD21 . 51070 1 816 . 1 . 1 61 61 LEU HD22 H 1 0.9530 0.0000 . 2 . . . . . 61 LEU HD21 . 51070 1 817 . 1 . 1 61 61 LEU HD23 H 1 0.9530 0.0000 . 2 . . . . . 61 LEU HD21 . 51070 1 818 . 1 . 1 61 61 LEU C C 13 178.4870 0.0000 . 1 . . . . . 61 LEU C . 51070 1 819 . 1 . 1 61 61 LEU CA C 13 57.5750 0.0000 . 1 . . . . . 61 LEU CA . 51070 1 820 . 1 . 1 61 61 LEU CB C 13 42.0320 0.0000 . 1 . . . . . 61 LEU CB . 51070 1 821 . 1 . 1 61 61 LEU CG C 13 27.0000 0.0000 . 1 . . . . . 61 LEU CG . 51070 1 822 . 1 . 1 61 61 LEU CD1 C 13 24.8500 0.0000 . 1 . . . . . 61 LEU CD1 . 51070 1 823 . 1 . 1 61 61 LEU CD2 C 13 23.8200 0.0000 . 1 . . . . . 61 LEU CD2 . 51070 1 824 . 1 . 1 61 61 LEU N N 15 123.2820 0.0000 . 1 . . . . . 61 LEU N . 51070 1 825 . 1 . 1 62 62 LYS H H 1 8.0150 0.0000 . 1 . . . . . 62 LYS H . 51070 1 826 . 1 . 1 62 62 LYS HA H 1 3.9700 0.0000 . 1 . . . . . 62 LYS HA . 51070 1 827 . 1 . 1 62 62 LYS HB2 H 1 1.8740 0.0000 . 2 . . . . . 62 LYS HB2 . 51070 1 828 . 1 . 1 62 62 LYS HB3 H 1 2.1030 0.0000 . 2 . . . . . 62 LYS HB3 . 51070 1 829 . 1 . 1 62 62 LYS HG2 H 1 1.5070 0.0000 . 2 . . . . . 62 LYS HG2 . 51070 1 830 . 1 . 1 62 62 LYS HG3 H 1 1.4210 0.0000 . 2 . . . . . 62 LYS HG3 . 51070 1 831 . 1 . 1 62 62 LYS HD2 H 1 1.6700 0.0000 . 2 . . . . . 62 LYS HD2 . 51070 1 832 . 1 . 1 62 62 LYS HD3 H 1 1.7180 0.0000 . 2 . . . . . 62 LYS HD3 . 51070 1 833 . 1 . 1 62 62 LYS HE2 H 1 2.9330 0.0000 . 2 . . . . . 62 LYS HE2 . 51070 1 834 . 1 . 1 62 62 LYS HE3 H 1 2.9650 0.0000 . 2 . . . . . 62 LYS HE3 . 51070 1 835 . 1 . 1 62 62 LYS C C 13 177.8550 0.0000 . 1 . . . . . 62 LYS C . 51070 1 836 . 1 . 1 62 62 LYS CA C 13 59.3120 0.0000 . 1 . . . . . 62 LYS CA . 51070 1 837 . 1 . 1 62 62 LYS CB C 13 32.6670 0.0000 . 1 . . . . . 62 LYS CB . 51070 1 838 . 1 . 1 62 62 LYS CG C 13 24.8690 0.0000 . 1 . . . . . 62 LYS CG . 51070 1 839 . 1 . 1 62 62 LYS CD C 13 29.6500 0.0000 . 1 . . . . . 62 LYS CD . 51070 1 840 . 1 . 1 62 62 LYS CE C 13 42.0300 0.0000 . 1 . . . . . 62 LYS CE . 51070 1 841 . 1 . 1 62 62 LYS N N 15 118.8820 0.0000 . 1 . . . . . 62 LYS N . 51070 1 842 . 1 . 1 63 63 GLU H H 1 8.0100 0.0000 . 1 . . . . . 63 GLU H . 51070 1 843 . 1 . 1 63 63 GLU HA H 1 4.1880 0.0000 . 1 . . . . . 63 GLU HA . 51070 1 844 . 1 . 1 63 63 GLU HB2 H 1 2.1530 0.0000 . 2 . . . . . 63 GLU HB2 . 51070 1 845 . 1 . 1 63 63 GLU HB3 H 1 2.0450 0.0000 . 2 . . . . . 63 GLU HB3 . 51070 1 846 . 1 . 1 63 63 GLU HG2 H 1 2.4200 0.0000 . 2 . . . . . 63 GLU HG2 . 51070 1 847 . 1 . 1 63 63 GLU HG3 H 1 2.3060 0.0000 . 2 . . . . . 63 GLU HG3 . 51070 1 848 . 1 . 1 63 63 GLU C C 13 178.1200 0.0000 . 1 . . . . . 63 GLU C . 51070 1 849 . 1 . 1 63 63 GLU CA C 13 58.3000 0.0000 . 1 . . . . . 63 GLU CA . 51070 1 850 . 1 . 1 63 63 GLU CB C 13 29.6370 0.0000 . 1 . . . . . 63 GLU CB . 51070 1 851 . 1 . 1 63 63 GLU CG C 13 36.4250 0.0000 . 1 . . . . . 63 GLU CG . 51070 1 852 . 1 . 1 63 63 GLU N N 15 118.1950 0.0000 . 1 . . . . . 63 GLU N . 51070 1 853 . 1 . 1 64 64 ARG H H 1 7.9060 0.0000 . 1 . . . . . 64 ARG H . 51070 1 854 . 1 . 1 64 64 ARG HA H 1 4.2390 0.0000 . 1 . . . . . 64 ARG HA . 51070 1 855 . 1 . 1 64 64 ARG HB2 H 1 1.8790 0.0000 . 2 . . . . . 64 ARG HB2 . 51070 1 856 . 1 . 1 64 64 ARG HB3 H 1 1.9600 0.0000 . 2 . . . . . 64 ARG HB3 . 51070 1 857 . 1 . 1 64 64 ARG HG2 H 1 1.6970 0.0000 . 2 . . . . . 64 ARG HG2 . 51070 1 858 . 1 . 1 64 64 ARG HG3 H 1 1.7970 0.0000 . 2 . . . . . 64 ARG HG3 . 51070 1 859 . 1 . 1 64 64 ARG HD2 H 1 3.2290 0.0000 . 2 . . . . . 64 ARG HD2 . 51070 1 860 . 1 . 1 64 64 ARG C C 13 177.9140 0.0000 . 1 . . . . . 64 ARG C . 51070 1 861 . 1 . 1 64 64 ARG CA C 13 57.8860 0.0000 . 1 . . . . . 64 ARG CA . 51070 1 862 . 1 . 1 64 64 ARG CB C 13 30.4420 0.0000 . 1 . . . . . 64 ARG CB . 51070 1 863 . 1 . 1 64 64 ARG CG C 13 27.5100 0.0000 . 1 . . . . . 64 ARG CG . 51070 1 864 . 1 . 1 64 64 ARG CD C 13 43.6800 0.0000 . 1 . . . . . 64 ARG CD . 51070 1 865 . 1 . 1 64 64 ARG N N 15 119.0200 0.0000 . 1 . . . . . 64 ARG N . 51070 1 866 . 1 . 1 65 65 LEU H H 1 8.0370 0.0000 . 1 . . . . . 65 LEU H . 51070 1 867 . 1 . 1 65 65 LEU HA H 1 4.2540 0.0000 . 1 . . . . . 65 LEU HA . 51070 1 868 . 1 . 1 65 65 LEU HB2 H 1 1.7780 0.0000 . 2 . . . . . 65 LEU HB2 . 51070 1 869 . 1 . 1 65 65 LEU HB3 H 1 1.6020 0.0000 . 2 . . . . . 65 LEU HB3 . 51070 1 870 . 1 . 1 65 65 LEU HG H 1 1.6920 0.0000 . 1 . . . . . 65 LEU HG . 51070 1 871 . 1 . 1 65 65 LEU HD11 H 1 0.9270 0.0000 . 2 . . . . . 65 LEU HD11 . 51070 1 872 . 1 . 1 65 65 LEU HD12 H 1 0.9270 0.0000 . 2 . . . . . 65 LEU HD11 . 51070 1 873 . 1 . 1 65 65 LEU HD13 H 1 0.9270 0.0000 . 2 . . . . . 65 LEU HD11 . 51070 1 874 . 1 . 1 65 65 LEU HD21 H 1 0.8760 0.0000 . 2 . . . . . 65 LEU HD21 . 51070 1 875 . 1 . 1 65 65 LEU HD22 H 1 0.8760 0.0000 . 2 . . . . . 65 LEU HD21 . 51070 1 876 . 1 . 1 65 65 LEU HD23 H 1 0.8760 0.0000 . 2 . . . . . 65 LEU HD21 . 51070 1 877 . 1 . 1 65 65 LEU C C 13 178.3110 0.0000 . 1 . . . . . 65 LEU C . 51070 1 878 . 1 . 1 65 65 LEU CA C 13 56.3110 0.0000 . 1 . . . . . 65 LEU CA . 51070 1 879 . 1 . 1 65 65 LEU CB C 13 42.2400 0.0000 . 1 . . . . . 65 LEU CB . 51070 1 880 . 1 . 1 65 65 LEU CG C 13 26.7590 0.0000 . 1 . . . . . 65 LEU CG . 51070 1 881 . 1 . 1 65 65 LEU CD1 C 13 25.4430 0.0000 . 1 . . . . . 65 LEU CD1 . 51070 1 882 . 1 . 1 65 65 LEU CD2 C 13 23.0100 0.0000 . 1 . . . . . 65 LEU CD2 . 51070 1 883 . 1 . 1 65 65 LEU N N 15 120.6700 0.0000 . 1 . . . . . 65 LEU N . 51070 1 884 . 1 . 1 66 66 GLU H H 1 8.1440 0.0000 . 1 . . . . . 66 GLU H . 51070 1 885 . 1 . 1 66 66 GLU HA H 1 4.1460 0.0000 . 1 . . . . . 66 GLU HA . 51070 1 886 . 1 . 1 66 66 GLU HB2 H 1 1.9900 0.0000 . 2 . . . . . 66 GLU HB2 . 51070 1 887 . 1 . 1 66 66 GLU HB3 H 1 1.9450 0.0000 . 2 . . . . . 66 GLU HB3 . 51070 1 888 . 1 . 1 66 66 GLU HG2 H 1 2.3010 0.0000 . 2 . . . . . 66 GLU HG2 . 51070 1 889 . 1 . 1 66 66 GLU HG3 H 1 2.1630 0.0000 . 2 . . . . . 66 GLU HG3 . 51070 1 890 . 1 . 1 66 66 GLU C C 13 176.9910 0.0000 . 1 . . . . . 66 GLU C . 51070 1 891 . 1 . 1 66 66 GLU CA C 13 57.4980 0.0000 . 1 . . . . . 66 GLU CA . 51070 1 892 . 1 . 1 66 66 GLU CB C 13 29.9310 0.0000 . 1 . . . . . 66 GLU CB . 51070 1 893 . 1 . 1 66 66 GLU CG C 13 36.4450 0.0000 . 1 . . . . . 66 GLU CG . 51070 1 894 . 1 . 1 66 66 GLU N N 15 119.5700 0.0000 . 1 . . . . . 66 GLU N . 51070 1 895 . 1 . 1 67 67 HIS H H 1 8.0010 0.0000 . 1 . . . . . 67 HIS H . 51070 1 896 . 1 . 1 67 67 HIS HA H 1 4.5470 0.0000 . 1 . . . . . 67 HIS HA . 51070 1 897 . 1 . 1 67 67 HIS HB2 H 1 3.0410 0.0000 . 2 . . . . . 67 HIS HB2 . 51070 1 898 . 1 . 1 67 67 HIS C C 13 174.2320 0.0000 . 1 . . . . . 67 HIS C . 51070 1 899 . 1 . 1 67 67 HIS CA C 13 57.0040 0.0000 . 1 . . . . . 67 HIS CA . 51070 1 900 . 1 . 1 67 67 HIS CB C 13 30.4900 0.0000 . 1 . . . . . 67 HIS CB . 51070 1 901 . 1 . 1 67 67 HIS N N 15 118.8760 0.0000 . 1 . . . . . 67 HIS N . 51070 1 stop_ save_