data_25729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25729 _Entry.Title ; Spatial structure of EGFR transmembrane and juxtamembrane domains in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-27 _Entry.Accession_date 2015-07-27 _Entry.Last_release_date 2015-10-12 _Entry.Original_release_date 2015-10-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Konstantin Mineev . . . . 25729 2 Eduard Bocharov . . . . 25729 3 Olga Bocharova . . . . 25729 4 Alexander Arseniev . . . . 25729 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25729 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EGFR . 25729 ErbB1 . 25729 HER1 . 25729 micelles . 25729 transmembrane . 25729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 25729 '15N chemical shifts' 57 25729 '1H chemical shifts' 421 25729 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 . . 2016-08-09 2015-07-27 update BMRB 'update entry citation' 25729 1 . . 2015-10-12 2015-07-27 original author 'original release' 25729 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N5S 'BMRB Entry Tracking System' 25729 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 25729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26440883 _Citation.Full_citation . _Citation.Title ; The Membrane Mimetic Affects the Spatial Structure and Mobility of EGFR Transmembrane and Juxtamembrane Domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 54 _Citation.Journal_issue 41 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6295 _Citation.Page_last 6298 _Citation.Year 2015 _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 Konstantin Mineev . . . . 25729 1 2 Stanislava Panova . V. . . 25729 1 3 Eduard Bocharov . . . . 25729 1 4 Olga Bocharov . . . . 25729 1 5 Alexander Arseniev . . . . 25729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25729 _Assembly.ID 1 _Assembly.Name 'EGFR transmembrane and juxtamembrane domains' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EGFR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSCKIPSIATGMVGALLLLL VVALGIGLFMRRRHIVRKRT LRRLLQERELVEGG ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5979.388 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P00533 . 'EGFR human' . . . . . . . . . . . . . . 25729 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 39 GLY . 25729 1 2 40 SER . 25729 1 3 41 CYS . 25729 1 4 42 LYS . 25729 1 5 43 ILE . 25729 1 6 44 PRO . 25729 1 7 45 SER . 25729 1 8 46 ILE . 25729 1 9 47 ALA . 25729 1 10 48 THR . 25729 1 11 49 GLY . 25729 1 12 50 MET . 25729 1 13 51 VAL . 25729 1 14 52 GLY . 25729 1 15 53 ALA . 25729 1 16 54 LEU . 25729 1 17 55 LEU . 25729 1 18 56 LEU . 25729 1 19 57 LEU . 25729 1 20 58 LEU . 25729 1 21 59 VAL . 25729 1 22 60 VAL . 25729 1 23 61 ALA . 25729 1 24 62 LEU . 25729 1 25 63 GLY . 25729 1 26 64 ILE . 25729 1 27 65 GLY . 25729 1 28 66 LEU . 25729 1 29 67 PHE . 25729 1 30 68 MET . 25729 1 31 69 ARG . 25729 1 32 70 ARG . 25729 1 33 71 ARG . 25729 1 34 72 HIS . 25729 1 35 73 ILE . 25729 1 36 74 VAL . 25729 1 37 75 ARG . 25729 1 38 76 LYS . 25729 1 39 77 ARG . 25729 1 40 78 THR . 25729 1 41 79 LEU . 25729 1 42 80 ARG . 25729 1 43 81 ARG . 25729 1 44 82 LEU . 25729 1 45 83 LEU . 25729 1 46 84 GLN . 25729 1 47 85 GLU . 25729 1 48 86 ARG . 25729 1 49 87 GLU . 25729 1 50 88 LEU . 25729 1 51 89 VAL . 25729 1 52 90 GLU . 25729 1 53 91 GLY . 25729 1 54 92 GLY . 25729 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25729 1 . SER 2 2 25729 1 . CYS 3 3 25729 1 . LYS 4 4 25729 1 . ILE 5 5 25729 1 . PRO 6 6 25729 1 . SER 7 7 25729 1 . ILE 8 8 25729 1 . ALA 9 9 25729 1 . THR 10 10 25729 1 . GLY 11 11 25729 1 . MET 12 12 25729 1 . VAL 13 13 25729 1 . GLY 14 14 25729 1 . ALA 15 15 25729 1 . LEU 16 16 25729 1 . LEU 17 17 25729 1 . LEU 18 18 25729 1 . LEU 19 19 25729 1 . LEU 20 20 25729 1 . VAL 21 21 25729 1 . VAL 22 22 25729 1 . ALA 23 23 25729 1 . LEU 24 24 25729 1 . GLY 25 25 25729 1 . ILE 26 26 25729 1 . GLY 27 27 25729 1 . LEU 28 28 25729 1 . PHE 29 29 25729 1 . MET 30 30 25729 1 . ARG 31 31 25729 1 . ARG 32 32 25729 1 . ARG 33 33 25729 1 . HIS 34 34 25729 1 . ILE 35 35 25729 1 . VAL 36 36 25729 1 . ARG 37 37 25729 1 . LYS 38 38 25729 1 . ARG 39 39 25729 1 . THR 40 40 25729 1 . LEU 41 41 25729 1 . ARG 42 42 25729 1 . ARG 43 43 25729 1 . LEU 44 44 25729 1 . LEU 45 45 25729 1 . GLN 46 46 25729 1 . GLU 47 47 25729 1 . ARG 48 48 25729 1 . GLU 49 49 25729 1 . LEU 50 50 25729 1 . VAL 51 51 25729 1 . GLU 52 52 25729 1 . GLY 53 53 25729 1 . GLY 54 54 25729 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25729 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25729 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25729 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEMEX-1 . . . 25729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25729 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EGFR '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 25729 1 2 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25729 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25729 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25729 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25729 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25729 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 25729 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 25729 1 pH 5.8 . pH 25729 1 pressure 1 . atm 25729 1 temperature 314 . K 25729 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25729 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25729 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25729 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25729 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25729 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25729 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25729 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25729 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25729 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25729 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25729 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 9 'HSQC-NOESY-HSQC CN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25729 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25729 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25729 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25729 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25729 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HCCH-TOCSY' . . . 25729 1 4 '3D HNCA' . . . 25729 1 6 '3D 1H-15N NOESY' . . . 25729 1 7 '3D HNCO' . . . 25729 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 $CARA . . 25729 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.519 0.000 . 1 . . . A 40 SER HA . 25729 1 2 . 1 1 2 2 SER HB2 H 1 3.866 0.000 . 1 . . . A 40 SER HB2 . 25729 1 3 . 1 1 2 2 SER HB3 H 1 3.866 0.000 . 1 . . . A 40 SER HB3 . 25729 1 4 . 1 1 2 2 SER C C 13 173.575 0.000 . 1 . . . A 40 SER C . 25729 1 5 . 1 1 2 2 SER CA C 13 57.827 0.000 . 1 . . . A 40 SER CA . 25729 1 6 . 1 1 2 2 SER CB C 13 63.565 0.000 . 1 . . . A 40 SER CB . 25729 1 7 . 1 1 3 3 CYS H H 1 8.537 0.000 . 1 . . . A 41 CYS H . 25729 1 8 . 1 1 3 3 CYS HA H 1 4.515 0.000 . 1 . . . A 41 CYS HA . 25729 1 9 . 1 1 3 3 CYS HB2 H 1 2.917 0.000 . 1 . . . A 41 CYS HB2 . 25729 1 10 . 1 1 3 3 CYS HB3 H 1 2.917 0.000 . 1 . . . A 41 CYS HB3 . 25729 1 11 . 1 1 3 3 CYS C C 13 173.381 0.000 . 1 . . . A 41 CYS C . 25729 1 12 . 1 1 3 3 CYS CA C 13 57.990 0.000 . 1 . . . A 41 CYS CA . 25729 1 13 . 1 1 3 3 CYS CB C 13 27.624 0.000 . 1 . . . A 41 CYS CB . 25729 1 14 . 1 1 3 3 CYS N N 15 121.304 0.000 . 1 . . . A 41 CYS N . 25729 1 15 . 1 1 4 4 LYS H H 1 8.523 0.000 . 1 . . . A 42 LYS H . 25729 1 16 . 1 1 4 4 LYS HA H 1 4.331 0.000 . 1 . . . A 42 LYS HA . 25729 1 17 . 1 1 4 4 LYS HB2 H 1 1.810 0.000 . 2 . . . A 42 LYS HB2 . 25729 1 18 . 1 1 4 4 LYS HB3 H 1 1.742 0.000 . 2 . . . A 42 LYS HB3 . 25729 1 19 . 1 1 4 4 LYS HG2 H 1 1.396 0.000 . 1 . . . A 42 LYS HG2 . 25729 1 20 . 1 1 4 4 LYS HG3 H 1 1.396 0.000 . 1 . . . A 42 LYS HG3 . 25729 1 21 . 1 1 4 4 LYS HD2 H 1 1.665 0.000 . 1 . . . A 42 LYS HD2 . 25729 1 22 . 1 1 4 4 LYS HD3 H 1 1.665 0.000 . 1 . . . A 42 LYS HD3 . 25729 1 23 . 1 1 4 4 LYS HE2 H 1 2.982 0.000 . 1 . . . A 42 LYS HE2 . 25729 1 24 . 1 1 4 4 LYS HE3 H 1 2.982 0.000 . 1 . . . A 42 LYS HE3 . 25729 1 25 . 1 1 4 4 LYS C C 13 174.995 0.000 . 1 . . . A 42 LYS C . 25729 1 26 . 1 1 4 4 LYS CA C 13 55.674 0.000 . 1 . . . A 42 LYS CA . 25729 1 27 . 1 1 4 4 LYS CB C 13 32.667 0.000 . 1 . . . A 42 LYS CB . 25729 1 28 . 1 1 4 4 LYS CG C 13 24.290 0.000 . 1 . . . A 42 LYS CG . 25729 1 29 . 1 1 4 4 LYS CD C 13 28.488 0.000 . 1 . . . A 42 LYS CD . 25729 1 30 . 1 1 4 4 LYS CE C 13 41.604 0.000 . 1 . . . A 42 LYS CE . 25729 1 31 . 1 1 4 4 LYS N N 15 124.412 0.000 . 1 . . . A 42 LYS N . 25729 1 32 . 1 1 5 5 ILE H H 1 8.068 0.000 . 1 . . . A 43 ILE H . 25729 1 33 . 1 1 5 5 ILE HA H 1 4.315 0.000 . 1 . . . A 43 ILE HA . 25729 1 34 . 1 1 5 5 ILE HB H 1 1.916 0.000 . 1 . . . A 43 ILE HB . 25729 1 35 . 1 1 5 5 ILE HG12 H 1 1.582 0.000 . 2 . . . A 43 ILE HG12 . 25729 1 36 . 1 1 5 5 ILE HG13 H 1 1.167 0.000 . 2 . . . A 43 ILE HG13 . 25729 1 37 . 1 1 5 5 ILE HG21 H 1 0.950 0.000 . 1 . . . A 43 ILE HG21 . 25729 1 38 . 1 1 5 5 ILE HG22 H 1 0.950 0.000 . 1 . . . A 43 ILE HG22 . 25729 1 39 . 1 1 5 5 ILE HG23 H 1 0.950 0.000 . 1 . . . A 43 ILE HG23 . 25729 1 40 . 1 1 5 5 ILE HD11 H 1 0.857 0.000 . 1 . . . A 43 ILE HD11 . 25729 1 41 . 1 1 5 5 ILE HD12 H 1 0.857 0.000 . 1 . . . A 43 ILE HD12 . 25729 1 42 . 1 1 5 5 ILE HD13 H 1 0.857 0.000 . 1 . . . A 43 ILE HD13 . 25729 1 43 . 1 1 5 5 ILE CA C 13 58.346 0.000 . 1 . . . A 43 ILE CA . 25729 1 44 . 1 1 5 5 ILE CB C 13 37.839 0.000 . 1 . . . A 43 ILE CB . 25729 1 45 . 1 1 5 5 ILE CG1 C 13 27.153 0.000 . 1 . . . A 43 ILE CG1 . 25729 1 46 . 1 1 5 5 ILE CG2 C 13 17.023 0.000 . 1 . . . A 43 ILE CG2 . 25729 1 47 . 1 1 5 5 ILE CD1 C 13 12.263 0.000 . 1 . . . A 43 ILE CD1 . 25729 1 48 . 1 1 5 5 ILE N N 15 121.536 0.000 . 1 . . . A 43 ILE N . 25729 1 49 . 1 1 6 6 PRO HA H 1 4.476 0.000 . 1 . . . A 44 PRO HA . 25729 1 50 . 1 1 6 6 PRO HB2 H 1 2.394 0.000 . 2 . . . A 44 PRO HB2 . 25729 1 51 . 1 1 6 6 PRO HB3 H 1 1.915 0.000 . 2 . . . A 44 PRO HB3 . 25729 1 52 . 1 1 6 6 PRO HG2 H 1 1.976 0.000 . 1 . . . A 44 PRO HG2 . 25729 1 53 . 1 1 6 6 PRO HG3 H 1 1.976 0.000 . 1 . . . A 44 PRO HG3 . 25729 1 54 . 1 1 6 6 PRO HD2 H 1 3.958 0.000 . 2 . . . A 44 PRO HD2 . 25729 1 55 . 1 1 6 6 PRO HD3 H 1 3.555 0.000 . 2 . . . A 44 PRO HD3 . 25729 1 56 . 1 1 6 6 PRO C C 13 175.819 0.000 . 1 . . . A 44 PRO C . 25729 1 57 . 1 1 6 6 PRO CA C 13 62.849 0.000 . 1 . . . A 44 PRO CA . 25729 1 58 . 1 1 6 6 PRO CB C 13 31.778 0.000 . 1 . . . A 44 PRO CB . 25729 1 59 . 1 1 6 6 PRO CG C 13 26.981 0.000 . 1 . . . A 44 PRO CG . 25729 1 60 . 1 1 6 6 PRO CD C 13 50.199 0.000 . 1 . . . A 44 PRO CD . 25729 1 61 . 1 1 7 7 SER H H 1 8.273 0.000 . 1 . . . A 45 SER H . 25729 1 62 . 1 1 7 7 SER HA H 1 4.375 0.000 . 1 . . . A 45 SER HA . 25729 1 63 . 1 1 7 7 SER HB2 H 1 3.931 0.000 . 1 . . . A 45 SER HB2 . 25729 1 64 . 1 1 7 7 SER HB3 H 1 3.931 0.000 . 1 . . . A 45 SER HB3 . 25729 1 65 . 1 1 7 7 SER C C 13 174.800 0.000 . 1 . . . A 45 SER C . 25729 1 66 . 1 1 7 7 SER CA C 13 58.883 0.000 . 1 . . . A 45 SER CA . 25729 1 67 . 1 1 7 7 SER CB C 13 63.066 0.000 . 1 . . . A 45 SER CB . 25729 1 68 . 1 1 7 7 SER N N 15 115.182 0.000 . 1 . . . A 45 SER N . 25729 1 69 . 1 1 8 8 ILE H H 1 8.160 0.000 . 1 . . . A 46 ILE H . 25729 1 70 . 1 1 8 8 ILE HA H 1 4.109 0.000 . 1 . . . A 46 ILE HA . 25729 1 71 . 1 1 8 8 ILE HB H 1 1.928 0.000 . 1 . . . A 46 ILE HB . 25729 1 72 . 1 1 8 8 ILE HG12 H 1 1.554 0.000 . 2 . . . A 46 ILE HG12 . 25729 1 73 . 1 1 8 8 ILE HG13 H 1 1.219 0.000 . 2 . . . A 46 ILE HG13 . 25729 1 74 . 1 1 8 8 ILE HG21 H 1 0.912 0.000 . 1 . . . A 46 ILE HG21 . 25729 1 75 . 1 1 8 8 ILE HG22 H 1 0.912 0.000 . 1 . . . A 46 ILE HG22 . 25729 1 76 . 1 1 8 8 ILE HG23 H 1 0.912 0.000 . 1 . . . A 46 ILE HG23 . 25729 1 77 . 1 1 8 8 ILE HD11 H 1 0.881 0.000 . 1 . . . A 46 ILE HD11 . 25729 1 78 . 1 1 8 8 ILE HD12 H 1 0.881 0.000 . 1 . . . A 46 ILE HD12 . 25729 1 79 . 1 1 8 8 ILE HD13 H 1 0.881 0.000 . 1 . . . A 46 ILE HD13 . 25729 1 80 . 1 1 8 8 ILE C C 13 174.926 0.000 . 1 . . . A 46 ILE C . 25729 1 81 . 1 1 8 8 ILE CA C 13 61.639 0.000 . 1 . . . A 46 ILE CA . 25729 1 82 . 1 1 8 8 ILE CB C 13 38.101 0.000 . 1 . . . A 46 ILE CB . 25729 1 83 . 1 1 8 8 ILE CG1 C 13 27.584 0.000 . 1 . . . A 46 ILE CG1 . 25729 1 84 . 1 1 8 8 ILE CG2 C 13 17.316 0.000 . 1 . . . A 46 ILE CG2 . 25729 1 85 . 1 1 8 8 ILE CD1 C 13 13.248 0.000 . 1 . . . A 46 ILE CD1 . 25729 1 86 . 1 1 8 8 ILE N N 15 120.326 0.000 . 1 . . . A 46 ILE N . 25729 1 87 . 1 1 9 9 ALA H H 1 8.081 0.000 . 1 . . . A 47 ALA H . 25729 1 88 . 1 1 9 9 ALA HA H 1 4.253 0.000 . 1 . . . A 47 ALA HA . 25729 1 89 . 1 1 9 9 ALA HB1 H 1 1.419 0.000 . 1 . . . A 47 ALA HB1 . 25729 1 90 . 1 1 9 9 ALA HB2 H 1 1.419 0.000 . 1 . . . A 47 ALA HB2 . 25729 1 91 . 1 1 9 9 ALA HB3 H 1 1.419 0.000 . 1 . . . A 47 ALA HB3 . 25729 1 92 . 1 1 9 9 ALA C C 13 176.666 0.000 . 1 . . . A 47 ALA C . 25729 1 93 . 1 1 9 9 ALA CA C 13 52.860 0.000 . 1 . . . A 47 ALA CA . 25729 1 94 . 1 1 9 9 ALA CB C 13 18.600 0.000 . 1 . . . A 47 ALA CB . 25729 1 95 . 1 1 9 9 ALA N N 15 123.385 0.000 . 1 . . . A 47 ALA N . 25729 1 96 . 1 1 10 10 THR H H 1 7.774 0.000 . 1 . . . A 48 THR H . 25729 1 97 . 1 1 10 10 THR HA H 1 4.022 0.000 . 1 . . . A 48 THR HA . 25729 1 98 . 1 1 10 10 THR HB H 1 4.244 0.000 . 1 . . . A 48 THR HB . 25729 1 99 . 1 1 10 10 THR HG21 H 1 1.210 0.000 . 1 . . . A 48 THR HG21 . 25729 1 100 . 1 1 10 10 THR HG22 H 1 1.210 0.000 . 1 . . . A 48 THR HG22 . 25729 1 101 . 1 1 10 10 THR HG23 H 1 1.210 0.000 . 1 . . . A 48 THR HG23 . 25729 1 102 . 1 1 10 10 THR C C 13 175.201 0.000 . 1 . . . A 48 THR C . 25729 1 103 . 1 1 10 10 THR CA C 13 63.783 0.000 . 1 . . . A 48 THR CA . 25729 1 104 . 1 1 10 10 THR CB C 13 68.435 0.000 . 1 . . . A 48 THR CB . 25729 1 105 . 1 1 10 10 THR CG2 C 13 21.833 0.000 . 1 . . . A 48 THR CG2 . 25729 1 106 . 1 1 10 10 THR N N 15 111.397 0.000 . 1 . . . A 48 THR N . 25729 1 107 . 1 1 11 11 GLY H H 1 8.451 0.000 . 1 . . . A 49 GLY H . 25729 1 108 . 1 1 11 11 GLY HA2 H 1 3.862 0.000 . 1 . . . A 49 GLY HA2 . 25729 1 109 . 1 1 11 11 GLY HA3 H 1 3.862 0.000 . 1 . . . A 49 GLY HA3 . 25729 1 110 . 1 1 11 11 GLY C C 13 173.850 0.000 . 1 . . . A 49 GLY C . 25729 1 111 . 1 1 11 11 GLY CA C 13 46.181 0.000 . 1 . . . A 49 GLY CA . 25729 1 112 . 1 1 11 11 GLY N N 15 108.834 0.000 . 1 . . . A 49 GLY N . 25729 1 113 . 1 1 12 12 MET H H 1 8.381 0.000 . 1 . . . A 50 MET H . 25729 1 114 . 1 1 12 12 MET HA H 1 4.183 0.000 . 1 . . . A 50 MET HA . 25729 1 115 . 1 1 12 12 MET HB2 H 1 2.219 0.000 . 2 . . . A 50 MET HB2 . 25729 1 116 . 1 1 12 12 MET HB3 H 1 2.038 0.000 . 2 . . . A 50 MET HB3 . 25729 1 117 . 1 1 12 12 MET HG2 H 1 2.647 0.000 . 2 . . . A 50 MET HG2 . 25729 1 118 . 1 1 12 12 MET HG3 H 1 2.512 0.000 . 2 . . . A 50 MET HG3 . 25729 1 119 . 1 1 12 12 MET HE1 H 1 2.037 0.000 . 1 . . . A 50 MET HE1 . 25729 1 120 . 1 1 12 12 MET HE2 H 1 2.037 0.000 . 1 . . . A 50 MET HE2 . 25729 1 121 . 1 1 12 12 MET HE3 H 1 2.037 0.000 . 1 . . . A 50 MET HE3 . 25729 1 122 . 1 1 12 12 MET C C 13 176.826 0.000 . 1 . . . A 50 MET C . 25729 1 123 . 1 1 12 12 MET CA C 13 58.019 0.000 . 1 . . . A 50 MET CA . 25729 1 124 . 1 1 12 12 MET CB C 13 32.346 0.000 . 1 . . . A 50 MET CB . 25729 1 125 . 1 1 12 12 MET CG C 13 32.330 0.000 . 1 . . . A 50 MET CG . 25729 1 126 . 1 1 12 12 MET CE C 13 16.871 0.000 . 1 . . . A 50 MET CE . 25729 1 127 . 1 1 12 12 MET N N 15 119.573 0.000 . 1 . . . A 50 MET N . 25729 1 128 . 1 1 13 13 VAL H H 1 8.049 0.000 . 1 . . . A 51 VAL H . 25729 1 129 . 1 1 13 13 VAL HA H 1 3.562 0.000 . 1 . . . A 51 VAL HA . 25729 1 130 . 1 1 13 13 VAL HB H 1 2.191 0.000 . 1 . . . A 51 VAL HB . 25729 1 131 . 1 1 13 13 VAL HG11 H 1 1.061 0.000 . 2 . . . A 51 VAL HG11 . 25729 1 132 . 1 1 13 13 VAL HG12 H 1 1.061 0.000 . 2 . . . A 51 VAL HG12 . 25729 1 133 . 1 1 13 13 VAL HG13 H 1 1.061 0.000 . 2 . . . A 51 VAL HG13 . 25729 1 134 . 1 1 13 13 VAL HG21 H 1 0.919 0.000 . 2 . . . A 51 VAL HG21 . 25729 1 135 . 1 1 13 13 VAL HG22 H 1 0.919 0.000 . 2 . . . A 51 VAL HG22 . 25729 1 136 . 1 1 13 13 VAL HG23 H 1 0.919 0.000 . 2 . . . A 51 VAL HG23 . 25729 1 137 . 1 1 13 13 VAL C C 13 176.895 0.000 . 1 . . . A 51 VAL C . 25729 1 138 . 1 1 13 13 VAL CA C 13 66.560 0.000 . 1 . . . A 51 VAL CA . 25729 1 139 . 1 1 13 13 VAL CB C 13 30.602 0.000 . 1 . . . A 51 VAL CB . 25729 1 140 . 1 1 13 13 VAL CG1 C 13 22.949 0.000 . 1 . . . A 51 VAL CG1 . 25729 1 141 . 1 1 13 13 VAL CG2 C 13 21.182 0.000 . 1 . . . A 51 VAL CG2 . 25729 1 142 . 1 1 13 13 VAL N N 15 117.883 0.000 . 1 . . . A 51 VAL N . 25729 1 143 . 1 1 14 14 GLY H H 1 8.153 0.000 . 1 . . . A 52 GLY H . 25729 1 144 . 1 1 14 14 GLY HA2 H 1 3.633 0.000 . 1 . . . A 52 GLY HA2 . 25729 1 145 . 1 1 14 14 GLY HA3 H 1 3.633 0.000 . 1 . . . A 52 GLY HA3 . 25729 1 146 . 1 1 14 14 GLY C C 13 173.610 0.000 . 1 . . . A 52 GLY C . 25729 1 147 . 1 1 14 14 GLY CA C 13 47.209 0.000 . 1 . . . A 52 GLY CA . 25729 1 148 . 1 1 14 14 GLY N N 15 105.810 0.000 . 1 . . . A 52 GLY N . 25729 1 149 . 1 1 15 15 ALA H H 1 8.028 0.000 . 1 . . . A 53 ALA H . 25729 1 150 . 1 1 15 15 ALA HA H 1 3.939 0.000 . 1 . . . A 53 ALA HA . 25729 1 151 . 1 1 15 15 ALA HB1 H 1 1.439 0.000 . 1 . . . A 53 ALA HB1 . 25729 1 152 . 1 1 15 15 ALA HB2 H 1 1.439 0.000 . 1 . . . A 53 ALA HB2 . 25729 1 153 . 1 1 15 15 ALA HB3 H 1 1.439 0.000 . 1 . . . A 53 ALA HB3 . 25729 1 154 . 1 1 15 15 ALA C C 13 177.811 0.000 . 1 . . . A 53 ALA C . 25729 1 155 . 1 1 15 15 ALA CA C 13 54.878 0.000 . 1 . . . A 53 ALA CA . 25729 1 156 . 1 1 15 15 ALA CB C 13 17.801 0.000 . 1 . . . A 53 ALA CB . 25729 1 157 . 1 1 15 15 ALA N N 15 121.783 0.000 . 1 . . . A 53 ALA N . 25729 1 158 . 1 1 16 16 LEU H H 1 7.949 0.000 . 1 . . . A 54 LEU H . 25729 1 159 . 1 1 16 16 LEU HA H 1 3.976 0.000 . 1 . . . A 54 LEU HA . 25729 1 160 . 1 1 16 16 LEU HB2 H 1 1.810 0.000 . 2 . . . A 54 LEU HB2 . 25729 1 161 . 1 1 16 16 LEU HB3 H 1 1.666 0.000 . 2 . . . A 54 LEU HB3 . 25729 1 162 . 1 1 16 16 LEU HG H 1 1.797 0.000 . 1 . . . A 54 LEU HG . 25729 1 163 . 1 1 16 16 LEU HD11 H 1 0.869 0.000 . 2 . . . A 54 LEU HD11 . 25729 1 164 . 1 1 16 16 LEU HD12 H 1 0.869 0.000 . 2 . . . A 54 LEU HD12 . 25729 1 165 . 1 1 16 16 LEU HD13 H 1 0.869 0.000 . 2 . . . A 54 LEU HD13 . 25729 1 166 . 1 1 16 16 LEU HD21 H 1 0.825 0.000 . 2 . . . A 54 LEU HD21 . 25729 1 167 . 1 1 16 16 LEU HD22 H 1 0.825 0.000 . 2 . . . A 54 LEU HD22 . 25729 1 168 . 1 1 16 16 LEU HD23 H 1 0.825 0.000 . 2 . . . A 54 LEU HD23 . 25729 1 169 . 1 1 16 16 LEU C C 13 177.570 0.000 . 1 . . . A 54 LEU C . 25729 1 170 . 1 1 16 16 LEU CA C 13 57.491 0.000 . 1 . . . A 54 LEU CA . 25729 1 171 . 1 1 16 16 LEU CB C 13 41.040 0.000 . 1 . . . A 54 LEU CB . 25729 1 172 . 1 1 16 16 LEU CG C 13 26.592 0.000 . 1 . . . A 54 LEU CG . 25729 1 173 . 1 1 16 16 LEU CD1 C 13 24.190 0.000 . 1 . . . A 54 LEU CD1 . 25729 1 174 . 1 1 16 16 LEU CD2 C 13 23.731 0.000 . 1 . . . A 54 LEU CD2 . 25729 1 175 . 1 1 16 16 LEU N N 15 116.652 0.000 . 1 . . . A 54 LEU N . 25729 1 176 . 1 1 17 17 LEU H H 1 8.214 0.000 . 1 . . . A 55 LEU H . 25729 1 177 . 1 1 17 17 LEU HA H 1 3.973 0.000 . 1 . . . A 55 LEU HA . 25729 1 178 . 1 1 17 17 LEU HB2 H 1 1.833 0.000 . 2 . . . A 55 LEU HB2 . 25729 1 179 . 1 1 17 17 LEU HB3 H 1 1.544 0.000 . 2 . . . A 55 LEU HB3 . 25729 1 180 . 1 1 17 17 LEU HG H 1 1.814 0.000 . 1 . . . A 55 LEU HG . 25729 1 181 . 1 1 17 17 LEU HD11 H 1 0.830 0.000 . 2 . . . A 55 LEU HD11 . 25729 1 182 . 1 1 17 17 LEU HD12 H 1 0.830 0.000 . 2 . . . A 55 LEU HD12 . 25729 1 183 . 1 1 17 17 LEU HD13 H 1 0.830 0.000 . 2 . . . A 55 LEU HD13 . 25729 1 184 . 1 1 17 17 LEU HD21 H 1 0.794 0.000 . 2 . . . A 55 LEU HD21 . 25729 1 185 . 1 1 17 17 LEU HD22 H 1 0.794 0.000 . 2 . . . A 55 LEU HD22 . 25729 1 186 . 1 1 17 17 LEU HD23 H 1 0.794 0.000 . 2 . . . A 55 LEU HD23 . 25729 1 187 . 1 1 17 17 LEU C C 13 177.559 0.000 . 1 . . . A 55 LEU C . 25729 1 188 . 1 1 17 17 LEU CA C 13 57.607 0.000 . 1 . . . A 55 LEU CA . 25729 1 189 . 1 1 17 17 LEU CB C 13 41.063 0.000 . 1 . . . A 55 LEU CB . 25729 1 190 . 1 1 17 17 LEU CG C 13 26.462 0.000 . 1 . . . A 55 LEU CG . 25729 1 191 . 1 1 17 17 LEU CD1 C 13 24.519 0.000 . 1 . . . A 55 LEU CD1 . 25729 1 192 . 1 1 17 17 LEU CD2 C 13 23.199 0.000 . 1 . . . A 55 LEU CD2 . 25729 1 193 . 1 1 17 17 LEU N N 15 117.915 0.000 . 1 . . . A 55 LEU N . 25729 1 194 . 1 1 18 18 LEU H H 1 8.058 0.000 . 1 . . . A 56 LEU H . 25729 1 195 . 1 1 18 18 LEU HA H 1 3.926 0.000 . 1 . . . A 56 LEU HA . 25729 1 196 . 1 1 18 18 LEU HB2 H 1 1.669 0.000 . 2 . . . A 56 LEU HB2 . 25729 1 197 . 1 1 18 18 LEU HB3 H 1 1.750 0.000 . 2 . . . A 56 LEU HB3 . 25729 1 198 . 1 1 18 18 LEU HG H 1 1.746 0.000 . 1 . . . A 56 LEU HG . 25729 1 199 . 1 1 18 18 LEU HD11 H 1 0.815 0.000 . 2 . . . A 56 LEU HD11 . 25729 1 200 . 1 1 18 18 LEU HD12 H 1 0.815 0.000 . 2 . . . A 56 LEU HD12 . 25729 1 201 . 1 1 18 18 LEU HD13 H 1 0.815 0.000 . 2 . . . A 56 LEU HD13 . 25729 1 202 . 1 1 18 18 LEU HD21 H 1 0.793 0.000 . 2 . . . A 56 LEU HD21 . 25729 1 203 . 1 1 18 18 LEU HD22 H 1 0.793 0.000 . 2 . . . A 56 LEU HD22 . 25729 1 204 . 1 1 18 18 LEU HD23 H 1 0.793 0.000 . 2 . . . A 56 LEU HD23 . 25729 1 205 . 1 1 18 18 LEU C C 13 177.479 0.000 . 1 . . . A 56 LEU C . 25729 1 206 . 1 1 18 18 LEU CA C 13 57.796 0.000 . 1 . . . A 56 LEU CA . 25729 1 207 . 1 1 18 18 LEU CB C 13 41.008 0.000 . 1 . . . A 56 LEU CB . 25729 1 208 . 1 1 18 18 LEU CG C 13 26.656 0.000 . 1 . . . A 56 LEU CG . 25729 1 209 . 1 1 18 18 LEU CD1 C 13 23.731 0.000 . 1 . . . A 56 LEU CD1 . 25729 1 210 . 1 1 18 18 LEU CD2 C 13 24.142 0.000 . 1 . . . A 56 LEU CD2 . 25729 1 211 . 1 1 18 18 LEU N N 15 118.132 0.000 . 1 . . . A 56 LEU N . 25729 1 212 . 1 1 19 19 LEU H H 1 8.111 0.000 . 1 . . . A 57 LEU H . 25729 1 213 . 1 1 19 19 LEU HA H 1 3.855 0.000 . 1 . . . A 57 LEU HA . 25729 1 214 . 1 1 19 19 LEU HB2 H 1 1.795 0.000 . 2 . . . A 57 LEU HB2 . 25729 1 215 . 1 1 19 19 LEU HB3 H 1 1.680 0.000 . 2 . . . A 57 LEU HB3 . 25729 1 216 . 1 1 19 19 LEU HG H 1 1.757 0.000 . 1 . . . A 57 LEU HG . 25729 1 217 . 1 1 19 19 LEU HD11 H 1 0.779 0.000 . 2 . . . A 57 LEU HD11 . 25729 1 218 . 1 1 19 19 LEU HD12 H 1 0.779 0.000 . 2 . . . A 57 LEU HD12 . 25729 1 219 . 1 1 19 19 LEU HD13 H 1 0.779 0.000 . 2 . . . A 57 LEU HD13 . 25729 1 220 . 1 1 19 19 LEU HD21 H 1 0.817 0.000 . 2 . . . A 57 LEU HD21 . 25729 1 221 . 1 1 19 19 LEU HD22 H 1 0.817 0.000 . 2 . . . A 57 LEU HD22 . 25729 1 222 . 1 1 19 19 LEU HD23 H 1 0.817 0.000 . 2 . . . A 57 LEU HD23 . 25729 1 223 . 1 1 19 19 LEU C C 13 177.536 0.000 . 1 . . . A 57 LEU C . 25729 1 224 . 1 1 19 19 LEU CA C 13 57.934 0.000 . 1 . . . A 57 LEU CA . 25729 1 225 . 1 1 19 19 LEU CB C 13 40.994 0.000 . 1 . . . A 57 LEU CB . 25729 1 226 . 1 1 19 19 LEU CG C 13 26.537 0.000 . 1 . . . A 57 LEU CG . 25729 1 227 . 1 1 19 19 LEU CD1 C 13 23.570 0.000 . 1 . . . A 57 LEU CD1 . 25729 1 228 . 1 1 19 19 LEU CD2 C 13 23.934 0.000 . 1 . . . A 57 LEU CD2 . 25729 1 229 . 1 1 19 19 LEU N N 15 118.105 0.000 . 1 . . . A 57 LEU N . 25729 1 230 . 1 1 20 20 LEU H H 1 8.194 0.000 . 1 . . . A 58 LEU H . 25729 1 231 . 1 1 20 20 LEU HA H 1 3.951 0.000 . 1 . . . A 58 LEU HA . 25729 1 232 . 1 1 20 20 LEU HB2 H 1 1.804 0.000 . 2 . . . A 58 LEU HB2 . 25729 1 233 . 1 1 20 20 LEU HB3 H 1 1.680 0.000 . 2 . . . A 58 LEU HB3 . 25729 1 234 . 1 1 20 20 LEU HG H 1 1.778 0.000 . 1 . . . A 58 LEU HG . 25729 1 235 . 1 1 20 20 LEU HD11 H 1 0.778 0.000 . 2 . . . A 58 LEU HD11 . 25729 1 236 . 1 1 20 20 LEU HD12 H 1 0.778 0.000 . 2 . . . A 58 LEU HD12 . 25729 1 237 . 1 1 20 20 LEU HD13 H 1 0.778 0.000 . 2 . . . A 58 LEU HD13 . 25729 1 238 . 1 1 20 20 LEU HD21 H 1 0.815 0.000 . 2 . . . A 58 LEU HD21 . 25729 1 239 . 1 1 20 20 LEU HD22 H 1 0.815 0.000 . 2 . . . A 58 LEU HD22 . 25729 1 240 . 1 1 20 20 LEU HD23 H 1 0.815 0.000 . 2 . . . A 58 LEU HD23 . 25729 1 241 . 1 1 20 20 LEU C C 13 177.593 0.000 . 1 . . . A 58 LEU C . 25729 1 242 . 1 1 20 20 LEU CA C 13 57.717 0.000 . 1 . . . A 58 LEU CA . 25729 1 243 . 1 1 20 20 LEU CB C 13 41.086 0.000 . 1 . . . A 58 LEU CB . 25729 1 244 . 1 1 20 20 LEU CG C 13 26.425 0.000 . 1 . . . A 58 LEU CG . 25729 1 245 . 1 1 20 20 LEU CD1 C 13 23.451 0.000 . 1 . . . A 58 LEU CD1 . 25729 1 246 . 1 1 20 20 LEU CD2 C 13 24.113 0.000 . 1 . . . A 58 LEU CD2 . 25729 1 247 . 1 1 20 20 LEU N N 15 118.189 0.000 . 1 . . . A 58 LEU N . 25729 1 248 . 1 1 21 21 VAL H H 1 8.195 0.000 . 1 . . . A 59 VAL H . 25729 1 249 . 1 1 21 21 VAL HA H 1 3.518 0.000 . 1 . . . A 59 VAL HA . 25729 1 250 . 1 1 21 21 VAL HB H 1 2.250 0.000 . 1 . . . A 59 VAL HB . 25729 1 251 . 1 1 21 21 VAL HG11 H 1 1.014 0.000 . 2 . . . A 59 VAL HG11 . 25729 1 252 . 1 1 21 21 VAL HG12 H 1 1.014 0.000 . 2 . . . A 59 VAL HG12 . 25729 1 253 . 1 1 21 21 VAL HG13 H 1 1.014 0.000 . 2 . . . A 59 VAL HG13 . 25729 1 254 . 1 1 21 21 VAL HG21 H 1 0.860 0.000 . 2 . . . A 59 VAL HG21 . 25729 1 255 . 1 1 21 21 VAL HG22 H 1 0.860 0.000 . 2 . . . A 59 VAL HG22 . 25729 1 256 . 1 1 21 21 VAL HG23 H 1 0.860 0.000 . 2 . . . A 59 VAL HG23 . 25729 1 257 . 1 1 21 21 VAL C C 13 177.055 0.000 . 1 . . . A 59 VAL C . 25729 1 258 . 1 1 21 21 VAL CA C 13 66.734 0.000 . 1 . . . A 59 VAL CA . 25729 1 259 . 1 1 21 21 VAL CB C 13 30.673 0.000 . 1 . . . A 59 VAL CB . 25729 1 260 . 1 1 21 21 VAL CG1 C 13 22.525 0.000 . 1 . . . A 59 VAL CG1 . 25729 1 261 . 1 1 21 21 VAL CG2 C 13 20.890 0.000 . 1 . . . A 59 VAL CG2 . 25729 1 262 . 1 1 21 21 VAL N N 15 117.975 0.000 . 1 . . . A 59 VAL N . 25729 1 263 . 1 1 22 22 VAL H H 1 8.294 0.000 . 1 . . . A 60 VAL H . 25729 1 264 . 1 1 22 22 VAL HA H 1 3.516 0.000 . 1 . . . A 60 VAL HA . 25729 1 265 . 1 1 22 22 VAL HB H 1 2.200 0.000 . 1 . . . A 60 VAL HB . 25729 1 266 . 1 1 22 22 VAL HG11 H 1 0.968 0.000 . 2 . . . A 60 VAL HG11 . 25729 1 267 . 1 1 22 22 VAL HG12 H 1 0.968 0.000 . 2 . . . A 60 VAL HG12 . 25729 1 268 . 1 1 22 22 VAL HG13 H 1 0.968 0.000 . 2 . . . A 60 VAL HG13 . 25729 1 269 . 1 1 22 22 VAL HG21 H 1 0.842 0.000 . 2 . . . A 60 VAL HG21 . 25729 1 270 . 1 1 22 22 VAL HG22 H 1 0.842 0.000 . 2 . . . A 60 VAL HG22 . 25729 1 271 . 1 1 22 22 VAL HG23 H 1 0.842 0.000 . 2 . . . A 60 VAL HG23 . 25729 1 272 . 1 1 22 22 VAL C C 13 176.712 0.000 . 1 . . . A 60 VAL C . 25729 1 273 . 1 1 22 22 VAL CA C 13 66.691 0.000 . 1 . . . A 60 VAL CA . 25729 1 274 . 1 1 22 22 VAL CB C 13 30.615 0.000 . 1 . . . A 60 VAL CB . 25729 1 275 . 1 1 22 22 VAL CG1 C 13 22.670 0.000 . 1 . . . A 60 VAL CG1 . 25729 1 276 . 1 1 22 22 VAL CG2 C 13 20.949 0.000 . 1 . . . A 60 VAL CG2 . 25729 1 277 . 1 1 22 22 VAL N N 15 119.320 0.000 . 1 . . . A 60 VAL N . 25729 1 278 . 1 1 23 23 ALA H H 1 8.645 0.000 . 1 . . . A 61 ALA H . 25729 1 279 . 1 1 23 23 ALA HA H 1 3.903 0.000 . 1 . . . A 61 ALA HA . 25729 1 280 . 1 1 23 23 ALA HB1 H 1 1.429 0.000 . 1 . . . A 61 ALA HB1 . 25729 1 281 . 1 1 23 23 ALA HB2 H 1 1.429 0.000 . 1 . . . A 61 ALA HB2 . 25729 1 282 . 1 1 23 23 ALA HB3 H 1 1.429 0.000 . 1 . . . A 61 ALA HB3 . 25729 1 283 . 1 1 23 23 ALA C C 13 178.692 0.000 . 1 . . . A 61 ALA C . 25729 1 284 . 1 1 23 23 ALA CA C 13 55.266 0.000 . 1 . . . A 61 ALA CA . 25729 1 285 . 1 1 23 23 ALA CB C 13 17.507 0.000 . 1 . . . A 61 ALA CB . 25729 1 286 . 1 1 23 23 ALA N N 15 121.465 0.000 . 1 . . . A 61 ALA N . 25729 1 287 . 1 1 24 24 LEU H H 1 8.513 0.000 . 1 . . . A 62 LEU H . 25729 1 288 . 1 1 24 24 LEU HA H 1 3.990 0.000 . 1 . . . A 62 LEU HA . 25729 1 289 . 1 1 24 24 LEU HB2 H 1 1.866 0.000 . 2 . . . A 62 LEU HB2 . 25729 1 290 . 1 1 24 24 LEU HB3 H 1 1.571 0.000 . 2 . . . A 62 LEU HB3 . 25729 1 291 . 1 1 24 24 LEU HG H 1 1.808 0.000 . 1 . . . A 62 LEU HG . 25729 1 292 . 1 1 24 24 LEU HD11 H 1 0.849 0.000 . 2 . . . A 62 LEU HD11 . 25729 1 293 . 1 1 24 24 LEU HD12 H 1 0.849 0.000 . 2 . . . A 62 LEU HD12 . 25729 1 294 . 1 1 24 24 LEU HD13 H 1 0.849 0.000 . 2 . . . A 62 LEU HD13 . 25729 1 295 . 1 1 24 24 LEU HD21 H 1 0.835 0.000 . 2 . . . A 62 LEU HD21 . 25729 1 296 . 1 1 24 24 LEU HD22 H 1 0.835 0.000 . 2 . . . A 62 LEU HD22 . 25729 1 297 . 1 1 24 24 LEU HD23 H 1 0.835 0.000 . 2 . . . A 62 LEU HD23 . 25729 1 298 . 1 1 24 24 LEU C C 13 178.280 0.000 . 1 . . . A 62 LEU C . 25729 1 299 . 1 1 24 24 LEU CA C 13 57.597 0.000 . 1 . . . A 62 LEU CA . 25729 1 300 . 1 1 24 24 LEU CB C 13 41.239 0.000 . 1 . . . A 62 LEU CB . 25729 1 301 . 1 1 24 24 LEU CG C 13 26.666 0.000 . 1 . . . A 62 LEU CG . 25729 1 302 . 1 1 24 24 LEU CD1 C 13 24.412 0.000 . 1 . . . A 62 LEU CD1 . 25729 1 303 . 1 1 24 24 LEU CD2 C 13 23.754 0.000 . 1 . . . A 62 LEU CD2 . 25729 1 304 . 1 1 24 24 LEU N N 15 117.067 0.000 . 1 . . . A 62 LEU N . 25729 1 305 . 1 1 25 25 GLY H H 1 8.711 0.000 . 1 . . . A 63 GLY H . 25729 1 306 . 1 1 25 25 GLY HA2 H 1 3.690 0.000 . 2 . . . A 63 GLY HA2 . 25729 1 307 . 1 1 25 25 GLY HA3 H 1 3.631 0.000 . 2 . . . A 63 GLY HA3 . 25729 1 308 . 1 1 25 25 GLY C C 13 174.514 0.000 . 1 . . . A 63 GLY C . 25729 1 309 . 1 1 25 25 GLY CA C 13 47.296 0.000 . 1 . . . A 63 GLY CA . 25729 1 310 . 1 1 25 25 GLY N N 15 106.939 0.000 . 1 . . . A 63 GLY N . 25729 1 311 . 1 1 26 26 ILE H H 1 8.806 0.000 . 1 . . . A 64 ILE H . 25729 1 312 . 1 1 26 26 ILE HA H 1 3.716 0.000 . 1 . . . A 64 ILE HA . 25729 1 313 . 1 1 26 26 ILE HB H 1 2.009 0.000 . 1 . . . A 64 ILE HB . 25729 1 314 . 1 1 26 26 ILE HG12 H 1 1.928 0.000 . 2 . . . A 64 ILE HG12 . 25729 1 315 . 1 1 26 26 ILE HG13 H 1 0.982 0.000 . 2 . . . A 64 ILE HG13 . 25729 1 316 . 1 1 26 26 ILE HG21 H 1 0.922 0.000 . 1 . . . A 64 ILE HG21 . 25729 1 317 . 1 1 26 26 ILE HG22 H 1 0.922 0.000 . 1 . . . A 64 ILE HG22 . 25729 1 318 . 1 1 26 26 ILE HG23 H 1 0.922 0.000 . 1 . . . A 64 ILE HG23 . 25729 1 319 . 1 1 26 26 ILE HD11 H 1 0.770 0.000 . 1 . . . A 64 ILE HD11 . 25729 1 320 . 1 1 26 26 ILE HD12 H 1 0.770 0.000 . 1 . . . A 64 ILE HD12 . 25729 1 321 . 1 1 26 26 ILE HD13 H 1 0.770 0.000 . 1 . . . A 64 ILE HD13 . 25729 1 322 . 1 1 26 26 ILE C C 13 177.845 0.000 . 1 . . . A 64 ILE C . 25729 1 323 . 1 1 26 26 ILE CA C 13 65.205 0.000 . 1 . . . A 64 ILE CA . 25729 1 324 . 1 1 26 26 ILE CB C 13 37.110 0.000 . 1 . . . A 64 ILE CB . 25729 1 325 . 1 1 26 26 ILE CG1 C 13 28.950 0.000 . 1 . . . A 64 ILE CG1 . 25729 1 326 . 1 1 26 26 ILE CG2 C 13 17.318 0.000 . 1 . . . A 64 ILE CG2 . 25729 1 327 . 1 1 26 26 ILE CD1 C 13 13.261 0.000 . 1 . . . A 64 ILE CD1 . 25729 1 328 . 1 1 26 26 ILE N N 15 121.545 0.000 . 1 . . . A 64 ILE N . 25729 1 329 . 1 1 27 27 GLY H H 1 8.766 0.000 . 1 . . . A 65 GLY H . 25729 1 330 . 1 1 27 27 GLY HA2 H 1 3.723 0.000 . 2 . . . A 65 GLY HA2 . 25729 1 331 . 1 1 27 27 GLY HA3 H 1 3.656 0.000 . 2 . . . A 65 GLY HA3 . 25729 1 332 . 1 1 27 27 GLY C C 13 174.617 0.000 . 1 . . . A 65 GLY C . 25729 1 333 . 1 1 27 27 GLY CA C 13 47.525 0.000 . 1 . . . A 65 GLY CA . 25729 1 334 . 1 1 27 27 GLY N N 15 107.883 0.000 . 1 . . . A 65 GLY N . 25729 1 335 . 1 1 28 28 LEU H H 1 8.770 0.000 . 1 . . . A 66 LEU H . 25729 1 336 . 1 1 28 28 LEU HA H 1 4.059 0.000 . 1 . . . A 66 LEU HA . 25729 1 337 . 1 1 28 28 LEU HB2 H 1 1.900 0.000 . 2 . . . A 66 LEU HB2 . 25729 1 338 . 1 1 28 28 LEU HB3 H 1 1.568 0.000 . 2 . . . A 66 LEU HB3 . 25729 1 339 . 1 1 28 28 LEU HG H 1 1.795 0.000 . 1 . . . A 66 LEU HG . 25729 1 340 . 1 1 28 28 LEU HD11 H 1 0.856 0.000 . 2 . . . A 66 LEU HD11 . 25729 1 341 . 1 1 28 28 LEU HD12 H 1 0.856 0.000 . 2 . . . A 66 LEU HD12 . 25729 1 342 . 1 1 28 28 LEU HD13 H 1 0.856 0.000 . 2 . . . A 66 LEU HD13 . 25729 1 343 . 1 1 28 28 LEU HD21 H 1 0.882 0.000 . 2 . . . A 66 LEU HD21 . 25729 1 344 . 1 1 28 28 LEU HD22 H 1 0.882 0.000 . 2 . . . A 66 LEU HD22 . 25729 1 345 . 1 1 28 28 LEU HD23 H 1 0.882 0.000 . 2 . . . A 66 LEU HD23 . 25729 1 346 . 1 1 28 28 LEU C C 13 178.406 0.000 . 1 . . . A 66 LEU C . 25729 1 347 . 1 1 28 28 LEU CA C 13 57.620 0.000 . 1 . . . A 66 LEU CA . 25729 1 348 . 1 1 28 28 LEU CB C 13 41.391 0.000 . 1 . . . A 66 LEU CB . 25729 1 349 . 1 1 28 28 LEU CG C 13 26.553 0.000 . 1 . . . A 66 LEU CG . 25729 1 350 . 1 1 28 28 LEU CD1 C 13 23.484 0.000 . 1 . . . A 66 LEU CD1 . 25729 1 351 . 1 1 28 28 LEU CD2 C 13 24.870 0.000 . 1 . . . A 66 LEU CD2 . 25729 1 352 . 1 1 28 28 LEU N N 15 121.308 0.000 . 1 . . . A 66 LEU N . 25729 1 353 . 1 1 29 29 PHE H H 1 8.451 0.000 . 1 . . . A 67 PHE H . 25729 1 354 . 1 1 29 29 PHE HA H 1 4.137 0.000 . 1 . . . A 67 PHE HA . 25729 1 355 . 1 1 29 29 PHE HB2 H 1 3.337 0.000 . 2 . . . A 67 PHE HB2 . 25729 1 356 . 1 1 29 29 PHE HB3 H 1 3.181 0.000 . 2 . . . A 67 PHE HB3 . 25729 1 357 . 1 1 29 29 PHE HD1 H 1 7.133 0.000 . 1 . . . A 67 PHE HD1 . 25729 1 358 . 1 1 29 29 PHE HD2 H 1 7.133 0.000 . 1 . . . A 67 PHE HD2 . 25729 1 359 . 1 1 29 29 PHE HE1 H 1 7.228 0.000 . 1 . . . A 67 PHE HE1 . 25729 1 360 . 1 1 29 29 PHE HE2 H 1 7.228 0.000 . 1 . . . A 67 PHE HE2 . 25729 1 361 . 1 1 29 29 PHE HZ H 1 6.774 0.000 . 1 . . . A 67 PHE HZ . 25729 1 362 . 1 1 29 29 PHE C C 13 176.929 0.000 . 1 . . . A 67 PHE C . 25729 1 363 . 1 1 29 29 PHE CA C 13 61.254 0.000 . 1 . . . A 67 PHE CA . 25729 1 364 . 1 1 29 29 PHE CB C 13 39.058 0.000 . 1 . . . A 67 PHE CB . 25729 1 365 . 1 1 29 29 PHE CD1 C 13 130.610 0.000 . 1 . . . A 67 PHE CD1 . 25729 1 366 . 1 1 29 29 PHE CE1 C 13 130.574 0.000 . 1 . . . A 67 PHE CE1 . 25729 1 367 . 1 1 29 29 PHE CZ C 13 117.608 0.000 . 1 . . . A 67 PHE CZ . 25729 1 368 . 1 1 29 29 PHE N N 15 119.725 0.000 . 1 . . . A 67 PHE N . 25729 1 369 . 1 1 30 30 MET H H 1 8.712 0.000 . 1 . . . A 68 MET H . 25729 1 370 . 1 1 30 30 MET HA H 1 4.066 0.000 . 1 . . . A 68 MET HA . 25729 1 371 . 1 1 30 30 MET HB2 H 1 2.286 0.000 . 2 . . . A 68 MET HB2 . 25729 1 372 . 1 1 30 30 MET HB3 H 1 2.114 0.000 . 2 . . . A 68 MET HB3 . 25729 1 373 . 1 1 30 30 MET HG2 H 1 2.877 0.000 . 2 . . . A 68 MET HG2 . 25729 1 374 . 1 1 30 30 MET HG3 H 1 2.648 0.000 . 2 . . . A 68 MET HG3 . 25729 1 375 . 1 1 30 30 MET HE1 H 1 2.063 0.000 . 1 . . . A 68 MET HE1 . 25729 1 376 . 1 1 30 30 MET HE2 H 1 2.063 0.000 . 1 . . . A 68 MET HE2 . 25729 1 377 . 1 1 30 30 MET HE3 H 1 2.063 0.000 . 1 . . . A 68 MET HE3 . 25729 1 378 . 1 1 30 30 MET C C 13 177.833 0.000 . 1 . . . A 68 MET C . 25729 1 379 . 1 1 30 30 MET CA C 13 57.873 0.000 . 1 . . . A 68 MET CA . 25729 1 380 . 1 1 30 30 MET CB C 13 32.595 0.000 . 1 . . . A 68 MET CB . 25729 1 381 . 1 1 30 30 MET CG C 13 32.680 0.000 . 1 . . . A 68 MET CG . 25729 1 382 . 1 1 30 30 MET CE C 13 16.865 0.000 . 1 . . . A 68 MET CE . 25729 1 383 . 1 1 30 30 MET N N 15 116.512 0.000 . 1 . . . A 68 MET N . 25729 1 384 . 1 1 31 31 ARG H H 1 8.068 0.000 . 1 . . . A 69 ARG H . 25729 1 385 . 1 1 31 31 ARG HA H 1 4.224 0.000 . 1 . . . A 69 ARG HA . 25729 1 386 . 1 1 31 31 ARG HB2 H 1 2.011 0.000 . 2 . . . A 69 ARG HB2 . 25729 1 387 . 1 1 31 31 ARG HB3 H 1 1.886 0.000 . 2 . . . A 69 ARG HB3 . 25729 1 388 . 1 1 31 31 ARG HG2 H 1 1.723 0.000 . 1 . . . A 69 ARG HG2 . 25729 1 389 . 1 1 31 31 ARG HG3 H 1 1.723 0.000 . 1 . . . A 69 ARG HG3 . 25729 1 390 . 1 1 31 31 ARG HD2 H 1 3.188 0.000 . 1 . . . A 69 ARG HD2 . 25729 1 391 . 1 1 31 31 ARG HD3 H 1 3.188 0.000 . 1 . . . A 69 ARG HD3 . 25729 1 392 . 1 1 31 31 ARG C C 13 177.261 0.000 . 1 . . . A 69 ARG C . 25729 1 393 . 1 1 31 31 ARG CA C 13 57.178 0.000 . 1 . . . A 69 ARG CA . 25729 1 394 . 1 1 31 31 ARG CB C 13 29.641 0.000 . 1 . . . A 69 ARG CB . 25729 1 395 . 1 1 31 31 ARG CG C 13 26.834 0.000 . 1 . . . A 69 ARG CG . 25729 1 396 . 1 1 31 31 ARG CD C 13 42.782 0.000 . 1 . . . A 69 ARG CD . 25729 1 397 . 1 1 31 31 ARG N N 15 118.468 0.000 . 1 . . . A 69 ARG N . 25729 1 398 . 1 1 32 32 ARG H H 1 8.064 0.000 . 1 . . . A 70 ARG H . 25729 1 399 . 1 1 32 32 ARG HA H 1 4.167 0.000 . 1 . . . A 70 ARG HA . 25729 1 400 . 1 1 32 32 ARG HB2 H 1 1.878 0.000 . 2 . . . A 70 ARG HB2 . 25729 1 401 . 1 1 32 32 ARG HB3 H 1 1.768 0.000 . 2 . . . A 70 ARG HB3 . 25729 1 402 . 1 1 32 32 ARG HG2 H 1 1.653 0.000 . 1 . . . A 70 ARG HG2 . 25729 1 403 . 1 1 32 32 ARG HG3 H 1 1.653 0.000 . 1 . . . A 70 ARG HG3 . 25729 1 404 . 1 1 32 32 ARG HD2 H 1 3.184 0.000 . 2 . . . A 70 ARG HD2 . 25729 1 405 . 1 1 32 32 ARG HD3 H 1 3.113 0.000 . 2 . . . A 70 ARG HD3 . 25729 1 406 . 1 1 32 32 ARG HE H 1 7.610 0.000 . 1 . . . A 70 ARG HE . 25729 1 407 . 1 1 32 32 ARG C C 13 176.128 0.000 . 1 . . . A 70 ARG C . 25729 1 408 . 1 1 32 32 ARG CA C 13 56.554 0.000 . 1 . . . A 70 ARG CA . 25729 1 409 . 1 1 32 32 ARG CB C 13 29.594 0.000 . 1 . . . A 70 ARG CB . 25729 1 410 . 1 1 32 32 ARG CG C 13 26.926 0.000 . 1 . . . A 70 ARG CG . 25729 1 411 . 1 1 32 32 ARG CD C 13 42.773 0.000 . 1 . . . A 70 ARG CD . 25729 1 412 . 1 1 32 32 ARG N N 15 118.576 0.000 . 1 . . . A 70 ARG N . 25729 1 413 . 1 1 32 32 ARG NE N 15 105.530 0.000 . 1 . . . A 70 ARG NE . 25729 1 414 . 1 1 33 33 ARG H H 1 7.783 0.000 . 1 . . . A 71 ARG H . 25729 1 415 . 1 1 33 33 ARG HA H 1 4.123 0.000 . 1 . . . A 71 ARG HA . 25729 1 416 . 1 1 33 33 ARG HB2 H 1 1.713 0.000 . 2 . . . A 71 ARG HB2 . 25729 1 417 . 1 1 33 33 ARG HB3 H 1 1.535 0.000 . 2 . . . A 71 ARG HB3 . 25729 1 418 . 1 1 33 33 ARG HG2 H 1 1.351 0.000 . 1 . . . A 71 ARG HG2 . 25729 1 419 . 1 1 33 33 ARG HG3 H 1 1.351 0.000 . 1 . . . A 71 ARG HG3 . 25729 1 420 . 1 1 33 33 ARG HD2 H 1 2.951 0.000 . 2 . . . A 71 ARG HD2 . 25729 1 421 . 1 1 33 33 ARG HD3 H 1 2.996 0.000 . 2 . . . A 71 ARG HD3 . 25729 1 422 . 1 1 33 33 ARG HE H 1 7.433 0.000 . 1 . . . A 71 ARG HE . 25729 1 423 . 1 1 33 33 ARG C C 13 175.029 0.000 . 1 . . . A 71 ARG C . 25729 1 424 . 1 1 33 33 ARG CA C 13 55.413 0.000 . 1 . . . A 71 ARG CA . 25729 1 425 . 1 1 33 33 ARG CB C 13 29.588 0.000 . 1 . . . A 71 ARG CB . 25729 1 426 . 1 1 33 33 ARG CG C 13 26.546 0.000 . 1 . . . A 71 ARG CG . 25729 1 427 . 1 1 33 33 ARG CD C 13 42.287 0.000 . 1 . . . A 71 ARG CD . 25729 1 428 . 1 1 33 33 ARG N N 15 116.986 0.000 . 1 . . . A 71 ARG N . 25729 1 429 . 1 1 33 33 ARG NE N 15 105.921 0.000 . 1 . . . A 71 ARG NE . 25729 1 430 . 1 1 34 34 HIS H H 1 7.936 0.000 . 1 . . . A 72 HIS H . 25729 1 431 . 1 1 34 34 HIS HA H 1 4.487 0.000 . 1 . . . A 72 HIS HA . 25729 1 432 . 1 1 34 34 HIS HB2 H 1 3.235 0.000 . 2 . . . A 72 HIS HB2 . 25729 1 433 . 1 1 34 34 HIS HB3 H 1 3.206 0.000 . 2 . . . A 72 HIS HB3 . 25729 1 434 . 1 1 34 34 HIS HD2 H 1 7.138 0.000 . 1 . . . A 72 HIS HD2 . 25729 1 435 . 1 1 34 34 HIS HE1 H 1 8.431 0.000 . 1 . . . A 72 HIS HE1 . 25729 1 436 . 1 1 34 34 HIS C C 13 174.045 0.000 . 1 . . . A 72 HIS C . 25729 1 437 . 1 1 34 34 HIS CA C 13 55.467 0.000 . 1 . . . A 72 HIS CA . 25729 1 438 . 1 1 34 34 HIS CB C 13 27.859 0.000 . 1 . . . A 72 HIS CB . 25729 1 439 . 1 1 34 34 HIS CD2 C 13 119.316 0.000 . 1 . . . A 72 HIS CD2 . 25729 1 440 . 1 1 34 34 HIS CE1 C 13 136.072 0.000 . 1 . . . A 72 HIS CE1 . 25729 1 441 . 1 1 34 34 HIS N N 15 116.358 0.000 . 1 . . . A 72 HIS N . 25729 1 442 . 1 1 35 35 ILE H H 1 8.026 0.000 . 1 . . . A 73 ILE H . 25729 1 443 . 1 1 35 35 ILE HA H 1 4.089 0.000 . 1 . . . A 73 ILE HA . 25729 1 444 . 1 1 35 35 ILE HB H 1 1.844 0.000 . 1 . . . A 73 ILE HB . 25729 1 445 . 1 1 35 35 ILE HG12 H 1 1.192 0.000 . 2 . . . A 73 ILE HG12 . 25729 1 446 . 1 1 35 35 ILE HG13 H 1 1.466 0.000 . 2 . . . A 73 ILE HG13 . 25729 1 447 . 1 1 35 35 ILE HG21 H 1 0.884 0.000 . 1 . . . A 73 ILE HG21 . 25729 1 448 . 1 1 35 35 ILE HG22 H 1 0.884 0.000 . 1 . . . A 73 ILE HG22 . 25729 1 449 . 1 1 35 35 ILE HG23 H 1 0.884 0.000 . 1 . . . A 73 ILE HG23 . 25729 1 450 . 1 1 35 35 ILE HD11 H 1 0.847 0.000 . 1 . . . A 73 ILE HD11 . 25729 1 451 . 1 1 35 35 ILE HD12 H 1 0.847 0.000 . 1 . . . A 73 ILE HD12 . 25729 1 452 . 1 1 35 35 ILE HD13 H 1 0.847 0.000 . 1 . . . A 73 ILE HD13 . 25729 1 453 . 1 1 35 35 ILE C C 13 174.834 0.000 . 1 . . . A 73 ILE C . 25729 1 454 . 1 1 35 35 ILE CA C 13 61.309 0.000 . 1 . . . A 73 ILE CA . 25729 1 455 . 1 1 35 35 ILE CB C 13 38.189 0.000 . 1 . . . A 73 ILE CB . 25729 1 456 . 1 1 35 35 ILE CG1 C 13 27.265 0.000 . 1 . . . A 73 ILE CG1 . 25729 1 457 . 1 1 35 35 ILE CG2 C 13 17.273 0.000 . 1 . . . A 73 ILE CG2 . 25729 1 458 . 1 1 35 35 ILE CD1 C 13 12.840 0.000 . 1 . . . A 73 ILE CD1 . 25729 1 459 . 1 1 35 35 ILE N N 15 118.896 0.000 . 1 . . . A 73 ILE N . 25729 1 460 . 1 1 36 36 VAL H H 1 7.787 0.000 . 1 . . . A 74 VAL H . 25729 1 461 . 1 1 36 36 VAL HA H 1 4.154 0.000 . 1 . . . A 74 VAL HA . 25729 1 462 . 1 1 36 36 VAL HB H 1 2.078 0.000 . 1 . . . A 74 VAL HB . 25729 1 463 . 1 1 36 36 VAL HG11 H 1 0.933 0.000 . 2 . . . A 74 VAL HG11 . 25729 1 464 . 1 1 36 36 VAL HG12 H 1 0.933 0.000 . 2 . . . A 74 VAL HG12 . 25729 1 465 . 1 1 36 36 VAL HG13 H 1 0.933 0.000 . 2 . . . A 74 VAL HG13 . 25729 1 466 . 1 1 36 36 VAL HG21 H 1 0.910 0.000 . 2 . . . A 74 VAL HG21 . 25729 1 467 . 1 1 36 36 VAL HG22 H 1 0.910 0.000 . 2 . . . A 74 VAL HG22 . 25729 1 468 . 1 1 36 36 VAL HG23 H 1 0.910 0.000 . 2 . . . A 74 VAL HG23 . 25729 1 469 . 1 1 36 36 VAL C C 13 174.457 0.000 . 1 . . . A 74 VAL C . 25729 1 470 . 1 1 36 36 VAL CA C 13 61.232 0.000 . 1 . . . A 74 VAL CA . 25729 1 471 . 1 1 36 36 VAL CB C 13 32.306 0.000 . 1 . . . A 74 VAL CB . 25729 1 472 . 1 1 36 36 VAL CG1 C 13 20.595 0.000 . 1 . . . A 74 VAL CG1 . 25729 1 473 . 1 1 36 36 VAL CG2 C 13 21.006 0.000 . 1 . . . A 74 VAL CG2 . 25729 1 474 . 1 1 36 36 VAL N N 15 120.581 0.000 . 1 . . . A 74 VAL N . 25729 1 475 . 1 1 37 37 ARG H H 1 8.261 0.000 . 1 . . . A 75 ARG H . 25729 1 476 . 1 1 37 37 ARG HA H 1 4.475 0.000 . 1 . . . A 75 ARG HA . 25729 1 477 . 1 1 37 37 ARG HB2 H 1 1.940 0.000 . 2 . . . A 75 ARG HB2 . 25729 1 478 . 1 1 37 37 ARG HB3 H 1 1.833 0.000 . 2 . . . A 75 ARG HB3 . 25729 1 479 . 1 1 37 37 ARG HG2 H 1 1.678 0.000 . 1 . . . A 75 ARG HG2 . 25729 1 480 . 1 1 37 37 ARG HG3 H 1 1.678 0.000 . 1 . . . A 75 ARG HG3 . 25729 1 481 . 1 1 37 37 ARG HD2 H 1 3.201 0.000 . 1 . . . A 75 ARG HD2 . 25729 1 482 . 1 1 37 37 ARG HD3 H 1 3.201 0.000 . 1 . . . A 75 ARG HD3 . 25729 1 483 . 1 1 37 37 ARG C C 13 176.277 0.000 . 1 . . . A 75 ARG C . 25729 1 484 . 1 1 37 37 ARG CA C 13 55.121 0.000 . 1 . . . A 75 ARG CA . 25729 1 485 . 1 1 37 37 ARG CB C 13 30.602 0.000 . 1 . . . A 75 ARG CB . 25729 1 486 . 1 1 37 37 ARG CG C 13 26.994 0.000 . 1 . . . A 75 ARG CG . 25729 1 487 . 1 1 37 37 ARG CD C 13 42.903 0.000 . 1 . . . A 75 ARG CD . 25729 1 488 . 1 1 37 37 ARG N N 15 123.305 0.000 . 1 . . . A 75 ARG N . 25729 1 489 . 1 1 38 38 LYS H H 1 8.867 0.000 . 1 . . . A 76 LYS H . 25729 1 490 . 1 1 38 38 LYS HA H 1 4.005 0.000 . 1 . . . A 76 LYS HA . 25729 1 491 . 1 1 38 38 LYS HB2 H 1 1.886 0.000 . 1 . . . A 76 LYS HB2 . 25729 1 492 . 1 1 38 38 LYS HB3 H 1 1.886 0.000 . 1 . . . A 76 LYS HB3 . 25729 1 493 . 1 1 38 38 LYS HG2 H 1 1.531 0.000 . 2 . . . A 76 LYS HG2 . 25729 1 494 . 1 1 38 38 LYS HG3 H 1 1.417 0.000 . 2 . . . A 76 LYS HG3 . 25729 1 495 . 1 1 38 38 LYS HD2 H 1 1.728 0.000 . 1 . . . A 76 LYS HD2 . 25729 1 496 . 1 1 38 38 LYS HD3 H 1 1.728 0.000 . 1 . . . A 76 LYS HD3 . 25729 1 497 . 1 1 38 38 LYS HE2 H 1 2.969 0.000 . 1 . . . A 76 LYS HE2 . 25729 1 498 . 1 1 38 38 LYS HE3 H 1 2.969 0.000 . 1 . . . A 76 LYS HE3 . 25729 1 499 . 1 1 38 38 LYS C C 13 177.261 0.000 . 1 . . . A 76 LYS C . 25729 1 500 . 1 1 38 38 LYS CA C 13 58.744 0.000 . 1 . . . A 76 LYS CA . 25729 1 501 . 1 1 38 38 LYS CB C 13 31.938 0.000 . 1 . . . A 76 LYS CB . 25729 1 502 . 1 1 38 38 LYS CG C 13 24.914 0.000 . 1 . . . A 76 LYS CG . 25729 1 503 . 1 1 38 38 LYS CD C 13 28.784 0.000 . 1 . . . A 76 LYS CD . 25729 1 504 . 1 1 38 38 LYS CE C 13 41.413 0.000 . 1 . . . A 76 LYS CE . 25729 1 505 . 1 1 38 38 LYS N N 15 122.958 0.000 . 1 . . . A 76 LYS N . 25729 1 506 . 1 1 39 39 ARG H H 1 8.507 0.000 . 1 . . . A 77 ARG H . 25729 1 507 . 1 1 39 39 ARG HA H 1 4.167 0.000 . 1 . . . A 77 ARG HA . 25729 1 508 . 1 1 39 39 ARG HB2 H 1 1.882 0.000 . 2 . . . A 77 ARG HB2 . 25729 1 509 . 1 1 39 39 ARG HB3 H 1 1.810 0.000 . 2 . . . A 77 ARG HB3 . 25729 1 510 . 1 1 39 39 ARG HG2 H 1 1.658 0.000 . 1 . . . A 77 ARG HG2 . 25729 1 511 . 1 1 39 39 ARG HG3 H 1 1.658 0.000 . 1 . . . A 77 ARG HG3 . 25729 1 512 . 1 1 39 39 ARG HD2 H 1 3.263 0.000 . 1 . . . A 77 ARG HD2 . 25729 1 513 . 1 1 39 39 ARG HD3 H 1 3.263 0.000 . 1 . . . A 77 ARG HD3 . 25729 1 514 . 1 1 39 39 ARG C C 13 176.700 0.000 . 1 . . . A 77 ARG C . 25729 1 515 . 1 1 39 39 ARG CA C 13 57.609 0.000 . 1 . . . A 77 ARG CA . 25729 1 516 . 1 1 39 39 ARG CB C 13 29.917 0.000 . 1 . . . A 77 ARG CB . 25729 1 517 . 1 1 39 39 ARG CG C 13 26.865 0.000 . 1 . . . A 77 ARG CG . 25729 1 518 . 1 1 39 39 ARG CD C 13 42.807 0.000 . 1 . . . A 77 ARG CD . 25729 1 519 . 1 1 39 39 ARG N N 15 118.550 0.000 . 1 . . . A 77 ARG N . 25729 1 520 . 1 1 40 40 THR H H 1 7.559 0.000 . 1 . . . A 78 THR H . 25729 1 521 . 1 1 40 40 THR HA H 1 4.081 0.000 . 1 . . . A 78 THR HA . 25729 1 522 . 1 1 40 40 THR HB H 1 4.354 0.000 . 1 . . . A 78 THR HB . 25729 1 523 . 1 1 40 40 THR HG21 H 1 1.273 0.000 . 1 . . . A 78 THR HG21 . 25729 1 524 . 1 1 40 40 THR HG22 H 1 1.273 0.000 . 1 . . . A 78 THR HG22 . 25729 1 525 . 1 1 40 40 THR HG23 H 1 1.273 0.000 . 1 . . . A 78 THR HG23 . 25729 1 526 . 1 1 40 40 THR C C 13 180.111 0.000 . 1 . . . A 78 THR C . 25729 1 527 . 1 1 40 40 THR CA C 13 63.685 0.000 . 1 . . . A 78 THR CA . 25729 1 528 . 1 1 40 40 THR CB C 13 68.405 0.000 . 1 . . . A 78 THR CB . 25729 1 529 . 1 1 40 40 THR CG2 C 13 21.867 0.000 . 1 . . . A 78 THR CG2 . 25729 1 530 . 1 1 40 40 THR N N 15 115.063 0.000 . 1 . . . A 78 THR N . 25729 1 531 . 1 1 41 41 LEU H H 1 8.035 0.000 . 1 . . . A 79 LEU H . 25729 1 532 . 1 1 41 41 LEU HA H 1 4.051 0.000 . 1 . . . A 79 LEU HA . 25729 1 533 . 1 1 41 41 LEU HB2 H 1 1.625 0.000 . 2 . . . A 79 LEU HB2 . 25729 1 534 . 1 1 41 41 LEU HB3 H 1 1.770 0.000 . 2 . . . A 79 LEU HB3 . 25729 1 535 . 1 1 41 41 LEU HG H 1 1.701 0.000 . 1 . . . A 79 LEU HG . 25729 1 536 . 1 1 41 41 LEU HD11 H 1 0.911 0.000 . 2 . . . A 79 LEU HD11 . 25729 1 537 . 1 1 41 41 LEU HD12 H 1 0.911 0.000 . 2 . . . A 79 LEU HD12 . 25729 1 538 . 1 1 41 41 LEU HD13 H 1 0.911 0.000 . 2 . . . A 79 LEU HD13 . 25729 1 539 . 1 1 41 41 LEU HD21 H 1 0.855 0.000 . 2 . . . A 79 LEU HD21 . 25729 1 540 . 1 1 41 41 LEU HD22 H 1 0.855 0.000 . 2 . . . A 79 LEU HD22 . 25729 1 541 . 1 1 41 41 LEU HD23 H 1 0.855 0.000 . 2 . . . A 79 LEU HD23 . 25729 1 542 . 1 1 41 41 LEU C C 13 177.330 0.000 . 1 . . . A 79 LEU C . 25729 1 543 . 1 1 41 41 LEU CA C 13 57.161 0.000 . 1 . . . A 79 LEU CA . 25729 1 544 . 1 1 41 41 LEU CB C 13 40.992 0.000 . 1 . . . A 79 LEU CB . 25729 1 545 . 1 1 41 41 LEU CG C 13 26.836 0.000 . 1 . . . A 79 LEU CG . 25729 1 546 . 1 1 41 41 LEU CD1 C 13 24.516 0.000 . 1 . . . A 79 LEU CD1 . 25729 1 547 . 1 1 41 41 LEU CD2 C 13 23.508 0.000 . 1 . . . A 79 LEU CD2 . 25729 1 548 . 1 1 41 41 LEU N N 15 118.267 0.000 . 1 . . . A 79 LEU N . 25729 1 549 . 1 1 42 42 ARG H H 1 8.260 0.000 . 1 . . . A 80 ARG H . 25729 1 550 . 1 1 42 42 ARG HA H 1 3.898 0.000 . 1 . . . A 80 ARG HA . 25729 1 551 . 1 1 42 42 ARG HB2 H 1 1.858 0.000 . 1 . . . A 80 ARG HB2 . 25729 1 552 . 1 1 42 42 ARG HB3 H 1 1.858 0.000 . 1 . . . A 80 ARG HB3 . 25729 1 553 . 1 1 42 42 ARG HG2 H 1 1.656 0.000 . 1 . . . A 80 ARG HG2 . 25729 1 554 . 1 1 42 42 ARG HG3 H 1 1.656 0.000 . 1 . . . A 80 ARG HG3 . 25729 1 555 . 1 1 42 42 ARG HD2 H 1 3.186 0.000 . 1 . . . A 80 ARG HD2 . 25729 1 556 . 1 1 42 42 ARG HD3 H 1 3.186 0.000 . 1 . . . A 80 ARG HD3 . 25729 1 557 . 1 1 42 42 ARG HE H 1 7.519 0.000 . 1 . . . A 80 ARG HE . 25729 1 558 . 1 1 42 42 ARG C C 13 177.295 0.000 . 1 . . . A 80 ARG C . 25729 1 559 . 1 1 42 42 ARG CA C 13 58.897 0.000 . 1 . . . A 80 ARG CA . 25729 1 560 . 1 1 42 42 ARG CB C 13 29.419 0.000 . 1 . . . A 80 ARG CB . 25729 1 561 . 1 1 42 42 ARG CG C 13 26.792 0.000 . 1 . . . A 80 ARG CG . 25729 1 562 . 1 1 42 42 ARG CD C 13 42.914 0.000 . 1 . . . A 80 ARG CD . 25729 1 563 . 1 1 42 42 ARG N N 15 117.320 0.000 . 1 . . . A 80 ARG N . 25729 1 564 . 1 1 42 42 ARG NE N 15 105.574 0.000 . 1 . . . A 80 ARG NE . 25729 1 565 . 1 1 43 43 ARG H H 1 7.767 0.000 . 1 . . . A 81 ARG H . 25729 1 566 . 1 1 43 43 ARG HA H 1 4.160 0.000 . 1 . . . A 81 ARG HA . 25729 1 567 . 1 1 43 43 ARG HB2 H 1 1.880 0.000 . 2 . . . A 81 ARG HB2 . 25729 1 568 . 1 1 43 43 ARG HB3 H 1 1.948 0.000 . 2 . . . A 81 ARG HB3 . 25729 1 569 . 1 1 43 43 ARG HG2 H 1 1.669 0.000 . 1 . . . A 81 ARG HG2 . 25729 1 570 . 1 1 43 43 ARG HG3 H 1 1.669 0.000 . 1 . . . A 81 ARG HG3 . 25729 1 571 . 1 1 43 43 ARG HD2 H 1 3.184 0.000 . 1 . . . A 81 ARG HD2 . 25729 1 572 . 1 1 43 43 ARG HD3 H 1 3.184 0.000 . 1 . . . A 81 ARG HD3 . 25729 1 573 . 1 1 43 43 ARG HE H 1 7.732 0.000 . 1 . . . A 81 ARG HE . 25729 1 574 . 1 1 43 43 ARG C C 13 177.559 0.000 . 1 . . . A 81 ARG C . 25729 1 575 . 1 1 43 43 ARG CA C 13 57.896 0.000 . 1 . . . A 81 ARG CA . 25729 1 576 . 1 1 43 43 ARG CB C 13 29.390 0.000 . 1 . . . A 81 ARG CB . 25729 1 577 . 1 1 43 43 ARG CG C 13 26.967 0.000 . 1 . . . A 81 ARG CG . 25729 1 578 . 1 1 43 43 ARG CD C 13 42.933 0.000 . 1 . . . A 81 ARG CD . 25729 1 579 . 1 1 43 43 ARG N N 15 118.403 0.000 . 1 . . . A 81 ARG N . 25729 1 580 . 1 1 43 43 ARG NE N 15 105.344 0.000 . 1 . . . A 81 ARG NE . 25729 1 581 . 1 1 44 44 LEU H H 1 7.892 0.000 . 1 . . . A 82 LEU H . 25729 1 582 . 1 1 44 44 LEU HA H 1 4.122 0.000 . 1 . . . A 82 LEU HA . 25729 1 583 . 1 1 44 44 LEU HB2 H 1 1.830 0.000 . 2 . . . A 82 LEU HB2 . 25729 1 584 . 1 1 44 44 LEU HB3 H 1 1.608 0.000 . 2 . . . A 82 LEU HB3 . 25729 1 585 . 1 1 44 44 LEU HG H 1 1.799 0.000 . 1 . . . A 82 LEU HG . 25729 1 586 . 1 1 44 44 LEU HD11 H 1 0.880 0.000 . 2 . . . A 82 LEU HD11 . 25729 1 587 . 1 1 44 44 LEU HD12 H 1 0.880 0.000 . 2 . . . A 82 LEU HD12 . 25729 1 588 . 1 1 44 44 LEU HD13 H 1 0.880 0.000 . 2 . . . A 82 LEU HD13 . 25729 1 589 . 1 1 44 44 LEU HD21 H 1 0.873 0.000 . 2 . . . A 82 LEU HD21 . 25729 1 590 . 1 1 44 44 LEU HD22 H 1 0.873 0.000 . 2 . . . A 82 LEU HD22 . 25729 1 591 . 1 1 44 44 LEU HD23 H 1 0.873 0.000 . 2 . . . A 82 LEU HD23 . 25729 1 592 . 1 1 44 44 LEU C C 13 177.501 0.000 . 1 . . . A 82 LEU C . 25729 1 593 . 1 1 44 44 LEU CA C 13 57.080 0.000 . 1 . . . A 82 LEU CA . 25729 1 594 . 1 1 44 44 LEU CB C 13 41.619 0.000 . 1 . . . A 82 LEU CB . 25729 1 595 . 1 1 44 44 LEU CG C 13 26.700 0.000 . 1 . . . A 82 LEU CG . 25729 1 596 . 1 1 44 44 LEU CD1 C 13 24.864 0.000 . 1 . . . A 82 LEU CD1 . 25729 1 597 . 1 1 44 44 LEU CD2 C 13 23.468 0.000 . 1 . . . A 82 LEU CD2 . 25729 1 598 . 1 1 44 44 LEU N N 15 119.452 0.000 . 1 . . . A 82 LEU N . 25729 1 599 . 1 1 45 45 LEU H H 1 7.785 0.000 . 1 . . . A 83 LEU H . 25729 1 600 . 1 1 45 45 LEU HA H 1 4.132 0.000 . 1 . . . A 83 LEU HA . 25729 1 601 . 1 1 45 45 LEU HB2 H 1 1.817 0.000 . 2 . . . A 83 LEU HB2 . 25729 1 602 . 1 1 45 45 LEU HB3 H 1 1.578 0.000 . 2 . . . A 83 LEU HB3 . 25729 1 603 . 1 1 45 45 LEU HG H 1 1.810 0.000 . 1 . . . A 83 LEU HG . 25729 1 604 . 1 1 45 45 LEU HD11 H 1 0.842 0.000 . 2 . . . A 83 LEU HD11 . 25729 1 605 . 1 1 45 45 LEU HD12 H 1 0.842 0.000 . 2 . . . A 83 LEU HD12 . 25729 1 606 . 1 1 45 45 LEU HD13 H 1 0.842 0.000 . 2 . . . A 83 LEU HD13 . 25729 1 607 . 1 1 45 45 LEU HD21 H 1 0.878 0.000 . 2 . . . A 83 LEU HD21 . 25729 1 608 . 1 1 45 45 LEU HD22 H 1 0.878 0.000 . 2 . . . A 83 LEU HD22 . 25729 1 609 . 1 1 45 45 LEU HD23 H 1 0.878 0.000 . 2 . . . A 83 LEU HD23 . 25729 1 610 . 1 1 45 45 LEU C C 13 177.513 0.000 . 1 . . . A 83 LEU C . 25729 1 611 . 1 1 45 45 LEU CA C 13 56.148 0.000 . 1 . . . A 83 LEU CA . 25729 1 612 . 1 1 45 45 LEU CB C 13 41.522 0.000 . 1 . . . A 83 LEU CB . 25729 1 613 . 1 1 45 45 LEU CG C 13 26.666 0.000 . 1 . . . A 83 LEU CG . 25729 1 614 . 1 1 45 45 LEU CD1 C 13 22.935 0.000 . 1 . . . A 83 LEU CD1 . 25729 1 615 . 1 1 45 45 LEU CD2 C 13 25.156 0.000 . 1 . . . A 83 LEU CD2 . 25729 1 616 . 1 1 45 45 LEU N N 15 116.322 0.000 . 1 . . . A 83 LEU N . 25729 1 617 . 1 1 46 46 GLN H H 1 8.022 0.000 . 1 . . . A 84 GLN H . 25729 1 618 . 1 1 46 46 GLN HA H 1 4.217 0.000 . 1 . . . A 84 GLN HA . 25729 1 619 . 1 1 46 46 GLN HB2 H 1 2.156 0.000 . 1 . . . A 84 GLN HB2 . 25729 1 620 . 1 1 46 46 GLN HB3 H 1 2.156 0.000 . 1 . . . A 84 GLN HB3 . 25729 1 621 . 1 1 46 46 GLN HG2 H 1 2.441 0.000 . 2 . . . A 84 GLN HG2 . 25729 1 622 . 1 1 46 46 GLN HG3 H 1 2.370 0.000 . 2 . . . A 84 GLN HG3 . 25729 1 623 . 1 1 46 46 GLN HE21 H 1 7.472 0.000 . 2 . . . A 84 GLN HE21 . 25729 1 624 . 1 1 46 46 GLN HE22 H 1 6.738 0.000 . 2 . . . A 84 GLN HE22 . 25729 1 625 . 1 1 46 46 GLN C C 13 176.963 0.000 . 1 . . . A 84 GLN C . 25729 1 626 . 1 1 46 46 GLN CA C 13 56.883 0.000 . 1 . . . A 84 GLN CA . 25729 1 627 . 1 1 46 46 GLN CB C 13 28.679 0.000 . 1 . . . A 84 GLN CB . 25729 1 628 . 1 1 46 46 GLN CG C 13 33.633 0.000 . 1 . . . A 84 GLN CG . 25729 1 629 . 1 1 46 46 GLN CD C 13 179.562 0.000 . 1 . . . A 84 GLN CD . 25729 1 630 . 1 1 46 46 GLN N N 15 117.962 0.000 . 1 . . . A 84 GLN N . 25729 1 631 . 1 1 46 46 GLN NE2 N 15 111.421 0.000 . 1 . . . A 84 GLN NE2 . 25729 1 632 . 1 1 47 47 GLU H H 1 8.266 0.000 . 1 . . . A 85 GLU H . 25729 1 633 . 1 1 47 47 GLU HA H 1 4.250 0.000 . 1 . . . A 85 GLU HA . 25729 1 634 . 1 1 47 47 GLU HB2 H 1 2.109 0.000 . 2 . . . A 85 GLU HB2 . 25729 1 635 . 1 1 47 47 GLU HB3 H 1 2.035 0.000 . 2 . . . A 85 GLU HB3 . 25729 1 636 . 1 1 47 47 GLU HG2 H 1 2.396 0.000 . 1 . . . A 85 GLU HG2 . 25729 1 637 . 1 1 47 47 GLU HG3 H 1 2.396 0.000 . 1 . . . A 85 GLU HG3 . 25729 1 638 . 1 1 47 47 GLU C C 13 176.300 0.000 . 1 . . . A 85 GLU C . 25729 1 639 . 1 1 47 47 GLU CA C 13 56.834 0.000 . 1 . . . A 85 GLU CA . 25729 1 640 . 1 1 47 47 GLU CB C 13 28.778 0.000 . 1 . . . A 85 GLU CB . 25729 1 641 . 1 1 47 47 GLU CG C 13 35.179 0.000 . 1 . . . A 85 GLU CG . 25729 1 642 . 1 1 47 47 GLU N N 15 119.377 0.000 . 1 . . . A 85 GLU N . 25729 1 643 . 1 1 48 48 ARG H H 1 7.854 0.000 . 1 . . . A 86 ARG H . 25729 1 644 . 1 1 48 48 ARG HA H 1 4.230 0.000 . 1 . . . A 86 ARG HA . 25729 1 645 . 1 1 48 48 ARG HB2 H 1 1.937 0.000 . 2 . . . A 86 ARG HB2 . 25729 1 646 . 1 1 48 48 ARG HB3 H 1 1.800 0.000 . 2 . . . A 86 ARG HB3 . 25729 1 647 . 1 1 48 48 ARG HG2 H 1 1.666 0.000 . 1 . . . A 86 ARG HG2 . 25729 1 648 . 1 1 48 48 ARG HG3 H 1 1.666 0.000 . 1 . . . A 86 ARG HG3 . 25729 1 649 . 1 1 48 48 ARG HD2 H 1 3.169 0.000 . 1 . . . A 86 ARG HD2 . 25729 1 650 . 1 1 48 48 ARG HD3 H 1 3.169 0.000 . 1 . . . A 86 ARG HD3 . 25729 1 651 . 1 1 48 48 ARG HE H 1 7.489 0.000 . 1 . . . A 86 ARG HE . 25729 1 652 . 1 1 48 48 ARG C C 13 175.018 0.000 . 1 . . . A 86 ARG C . 25729 1 653 . 1 1 48 48 ARG CA C 13 56.158 0.000 . 1 . . . A 86 ARG CA . 25729 1 654 . 1 1 48 48 ARG CB C 13 29.596 0.000 . 1 . . . A 86 ARG CB . 25729 1 655 . 1 1 48 48 ARG CG C 13 26.919 0.000 . 1 . . . A 86 ARG CG . 25729 1 656 . 1 1 48 48 ARG CD C 13 42.757 0.000 . 1 . . . A 86 ARG CD . 25729 1 657 . 1 1 48 48 ARG N N 15 118.389 0.000 . 1 . . . A 86 ARG N . 25729 1 658 . 1 1 48 48 ARG NE N 15 105.656 0.000 . 1 . . . A 86 ARG NE . 25729 1 659 . 1 1 49 49 GLU H H 1 8.092 0.000 . 1 . . . A 87 GLU H . 25729 1 660 . 1 1 49 49 GLU HA H 1 4.202 0.000 . 1 . . . A 87 GLU HA . 25729 1 661 . 1 1 49 49 GLU HB2 H 1 2.030 0.000 . 2 . . . A 87 GLU HB2 . 25729 1 662 . 1 1 49 49 GLU HB3 H 1 1.930 0.000 . 2 . . . A 87 GLU HB3 . 25729 1 663 . 1 1 49 49 GLU HG2 H 1 2.268 0.000 . 1 . . . A 87 GLU HG2 . 25729 1 664 . 1 1 49 49 GLU HG3 H 1 2.268 0.000 . 1 . . . A 87 GLU HG3 . 25729 1 665 . 1 1 49 49 GLU C C 13 175.578 0.000 . 1 . . . A 87 GLU C . 25729 1 666 . 1 1 49 49 GLU CA C 13 56.448 0.000 . 1 . . . A 87 GLU CA . 25729 1 667 . 1 1 49 49 GLU CB C 13 29.631 0.000 . 1 . . . A 87 GLU CB . 25729 1 668 . 1 1 49 49 GLU CG C 13 35.186 0.000 . 1 . . . A 87 GLU CG . 25729 1 669 . 1 1 49 49 GLU N N 15 117.855 0.000 . 1 . . . A 87 GLU N . 25729 1 670 . 1 1 50 50 LEU H H 1 8.094 0.000 . 1 . . . A 88 LEU H . 25729 1 671 . 1 1 50 50 LEU HA H 1 4.305 0.000 . 1 . . . A 88 LEU HA . 25729 1 672 . 1 1 50 50 LEU HB2 H 1 1.672 0.000 . 2 . . . A 88 LEU HB2 . 25729 1 673 . 1 1 50 50 LEU HB3 H 1 1.588 0.000 . 2 . . . A 88 LEU HB3 . 25729 1 674 . 1 1 50 50 LEU HG H 1 1.660 0.000 . 1 . . . A 88 LEU HG . 25729 1 675 . 1 1 50 50 LEU HD11 H 1 0.912 0.000 . 2 . . . A 88 LEU HD11 . 25729 1 676 . 1 1 50 50 LEU HD12 H 1 0.912 0.000 . 2 . . . A 88 LEU HD12 . 25729 1 677 . 1 1 50 50 LEU HD13 H 1 0.912 0.000 . 2 . . . A 88 LEU HD13 . 25729 1 678 . 1 1 50 50 LEU HD21 H 1 0.861 0.000 . 2 . . . A 88 LEU HD21 . 25729 1 679 . 1 1 50 50 LEU HD22 H 1 0.861 0.000 . 2 . . . A 88 LEU HD22 . 25729 1 680 . 1 1 50 50 LEU HD23 H 1 0.861 0.000 . 2 . . . A 88 LEU HD23 . 25729 1 681 . 1 1 50 50 LEU C C 13 176.254 0.000 . 1 . . . A 88 LEU C . 25729 1 682 . 1 1 50 50 LEU CA C 13 55.268 0.000 . 1 . . . A 88 LEU CA . 25729 1 683 . 1 1 50 50 LEU CB C 13 42.121 0.000 . 1 . . . A 88 LEU CB . 25729 1 684 . 1 1 50 50 LEU CG C 13 26.824 0.000 . 1 . . . A 88 LEU CG . 25729 1 685 . 1 1 50 50 LEU CD1 C 13 24.767 0.000 . 1 . . . A 88 LEU CD1 . 25729 1 686 . 1 1 50 50 LEU CD2 C 13 23.180 0.000 . 1 . . . A 88 LEU CD2 . 25729 1 687 . 1 1 50 50 LEU N N 15 120.769 0.000 . 1 . . . A 88 LEU N . 25729 1 688 . 1 1 51 51 VAL H H 1 7.683 0.000 . 1 . . . A 89 VAL H . 25729 1 689 . 1 1 51 51 VAL HA H 1 4.170 0.000 . 1 . . . A 89 VAL HA . 25729 1 690 . 1 1 51 51 VAL HB H 1 2.076 0.000 . 1 . . . A 89 VAL HB . 25729 1 691 . 1 1 51 51 VAL HG11 H 1 0.910 0.000 . 2 . . . A 89 VAL HG11 . 25729 1 692 . 1 1 51 51 VAL HG12 H 1 0.910 0.000 . 2 . . . A 89 VAL HG12 . 25729 1 693 . 1 1 51 51 VAL HG13 H 1 0.910 0.000 . 2 . . . A 89 VAL HG13 . 25729 1 694 . 1 1 51 51 VAL HG21 H 1 0.893 0.000 . 2 . . . A 89 VAL HG21 . 25729 1 695 . 1 1 51 51 VAL HG22 H 1 0.893 0.000 . 2 . . . A 89 VAL HG22 . 25729 1 696 . 1 1 51 51 VAL HG23 H 1 0.893 0.000 . 2 . . . A 89 VAL HG23 . 25729 1 697 . 1 1 51 51 VAL C C 13 175.075 0.000 . 1 . . . A 89 VAL C . 25729 1 698 . 1 1 51 51 VAL CA C 13 61.217 0.000 . 1 . . . A 89 VAL CA . 25729 1 699 . 1 1 51 51 VAL CB C 13 32.773 0.000 . 1 . . . A 89 VAL CB . 25729 1 700 . 1 1 51 51 VAL CG1 C 13 20.982 0.000 . 1 . . . A 89 VAL CG1 . 25729 1 701 . 1 1 51 51 VAL CG2 C 13 20.129 0.000 . 1 . . . A 89 VAL CG2 . 25729 1 702 . 1 1 51 51 VAL N N 15 116.879 0.000 . 1 . . . A 89 VAL N . 25729 1 703 . 1 1 52 52 GLU H H 1 8.401 0.000 . 1 . . . A 90 GLU H . 25729 1 704 . 1 1 52 52 GLU HA H 1 4.297 0.000 . 1 . . . A 90 GLU HA . 25729 1 705 . 1 1 52 52 GLU HB2 H 1 2.058 0.000 . 2 . . . A 90 GLU HB2 . 25729 1 706 . 1 1 52 52 GLU HB3 H 1 1.934 0.000 . 2 . . . A 90 GLU HB3 . 25729 1 707 . 1 1 52 52 GLU HG2 H 1 2.286 0.000 . 1 . . . A 90 GLU HG2 . 25729 1 708 . 1 1 52 52 GLU HG3 H 1 2.286 0.000 . 1 . . . A 90 GLU HG3 . 25729 1 709 . 1 1 52 52 GLU C C 13 176.071 0.000 . 1 . . . A 90 GLU C . 25729 1 710 . 1 1 52 52 GLU CA C 13 56.148 0.000 . 1 . . . A 90 GLU CA . 25729 1 711 . 1 1 52 52 GLU CB C 13 29.781 0.000 . 1 . . . A 90 GLU CB . 25729 1 712 . 1 1 52 52 GLU CG C 13 35.179 0.000 . 1 . . . A 90 GLU CG . 25729 1 713 . 1 1 52 52 GLU N N 15 123.265 0.000 . 1 . . . A 90 GLU N . 25729 1 714 . 1 1 53 53 GLY H H 1 8.328 0.000 . 1 . . . A 91 GLY H . 25729 1 715 . 1 1 53 53 GLY HA2 H 1 3.946 0.000 . 1 . . . A 91 GLY HA2 . 25729 1 716 . 1 1 53 53 GLY HA3 H 1 3.946 0.000 . 1 . . . A 91 GLY HA3 . 25729 1 717 . 1 1 53 53 GLY C C 13 172.991 0.000 . 1 . . . A 91 GLY C . 25729 1 718 . 1 1 53 53 GLY CA C 13 44.869 0.000 . 1 . . . A 91 GLY CA . 25729 1 719 . 1 1 53 53 GLY N N 15 110.143 0.000 . 1 . . . A 91 GLY N . 25729 1 720 . 1 1 54 54 GLY H H 1 7.897 0.000 . 1 . . . A 92 GLY H . 25729 1 721 . 1 1 54 54 GLY HA2 H 1 3.747 0.000 . 1 . . . A 92 GLY HA2 . 25729 1 722 . 1 1 54 54 GLY HA3 H 1 3.747 0.000 . 1 . . . A 92 GLY HA3 . 25729 1 723 . 1 1 54 54 GLY CA C 13 45.560 0.000 . 1 . . . A 92 GLY CA . 25729 1 724 . 1 1 54 54 GLY N N 15 114.736 0.000 . 1 . . . A 92 GLY N . 25729 1 stop_ save_