data_30070 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30070 _Entry.Title ; The NMR Solution Structure of RPA3313 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-29 _Entry.Accession_date 2016-04-29 _Entry.Last_release_date 2016-06-09 _Entry.Original_release_date 2016-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jonathan Catazaro J. . . . 30070 2 Austin Lowe A. J. . . 30070 3 Robert Powers R. . . . 30070 4 SGC 'Structural Genomics Consortium (SGC)' . . . . 30070 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 SGC 'Structural Genomics Consortium' SGC 30070 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SGC . 30070 'Structural Genomics' . 30070 'Structural Genomics Consortium' . 30070 'UNKNOWN FUNCTION' . 30070 'protein-protein interaction' . 30070 ribosome . 30070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 30070 '15N chemical shifts' 68 30070 '1H chemical shifts' 422 30070 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 . . 2017-02-24 2016-04-29 update BMRB 'update entry citation' 30070 1 . . 2016-06-09 2016-04-29 original author 'original release' 30070 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5JN6 'BMRB Entry Tracking System' 30070 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30070 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27802574 _Citation.Full_citation . _Citation.Title ; The NMR Solution Structure and Function of RPA3313: A Hypothetical Protein from R. palustris ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 85 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-0134 _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 93 _Citation.Page_last 102 _Citation.Year 2017 _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 Jonathan Catazaro J. . . . 30070 1 2 Austin Lowe A. J. . . 30070 1 3 Ronald Cerny R. L. . . 30070 1 4 Robert Powers R. . . . 30070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30070 _Assembly.ID 1 _Assembly.Name 'Uncharacterized protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30070 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Uncharacterized protein' _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 ; MGSSHHHHHHSSGRENLYFQ GMGKAYYDIVGSDNRWGIRH DDDPTGDYSSKEAAFEAACA AASNAIKFGHEVRITVPGND GSETNLGVITN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9887.637 _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 -20 MET . 30070 1 2 -19 GLY . 30070 1 3 -18 SER . 30070 1 4 -17 SER . 30070 1 5 -16 HIS . 30070 1 6 -15 HIS . 30070 1 7 -14 HIS . 30070 1 8 -13 HIS . 30070 1 9 -12 HIS . 30070 1 10 -11 HIS . 30070 1 11 -10 SER . 30070 1 12 -9 SER . 30070 1 13 -8 GLY . 30070 1 14 -7 ARG . 30070 1 15 -6 GLU . 30070 1 16 -5 ASN . 30070 1 17 -4 LEU . 30070 1 18 -3 TYR . 30070 1 19 -2 PHE . 30070 1 20 -1 GLN . 30070 1 21 0 GLY . 30070 1 22 1 MET . 30070 1 23 2 GLY . 30070 1 24 3 LYS . 30070 1 25 4 ALA . 30070 1 26 5 TYR . 30070 1 27 6 TYR . 30070 1 28 7 ASP . 30070 1 29 8 ILE . 30070 1 30 9 VAL . 30070 1 31 10 GLY . 30070 1 32 11 SER . 30070 1 33 12 ASP . 30070 1 34 13 ASN . 30070 1 35 14 ARG . 30070 1 36 15 TRP . 30070 1 37 16 GLY . 30070 1 38 17 ILE . 30070 1 39 18 ARG . 30070 1 40 19 HIS . 30070 1 41 20 ASP . 30070 1 42 21 ASP . 30070 1 43 22 ASP . 30070 1 44 23 PRO . 30070 1 45 24 THR . 30070 1 46 25 GLY . 30070 1 47 26 ASP . 30070 1 48 27 TYR . 30070 1 49 28 SER . 30070 1 50 29 SER . 30070 1 51 30 LYS . 30070 1 52 31 GLU . 30070 1 53 32 ALA . 30070 1 54 33 ALA . 30070 1 55 34 PHE . 30070 1 56 35 GLU . 30070 1 57 36 ALA . 30070 1 58 37 ALA . 30070 1 59 38 CYS . 30070 1 60 39 ALA . 30070 1 61 40 ALA . 30070 1 62 41 ALA . 30070 1 63 42 SER . 30070 1 64 43 ASN . 30070 1 65 44 ALA . 30070 1 66 45 ILE . 30070 1 67 46 LYS . 30070 1 68 47 PHE . 30070 1 69 48 GLY . 30070 1 70 49 HIS . 30070 1 71 50 GLU . 30070 1 72 51 VAL . 30070 1 73 52 ARG . 30070 1 74 53 ILE . 30070 1 75 54 THR . 30070 1 76 55 VAL . 30070 1 77 56 PRO . 30070 1 78 57 GLY . 30070 1 79 58 ASN . 30070 1 80 59 ASP . 30070 1 81 60 GLY . 30070 1 82 61 SER . 30070 1 83 62 GLU . 30070 1 84 63 THR . 30070 1 85 64 ASN . 30070 1 86 65 LEU . 30070 1 87 66 GLY . 30070 1 88 67 VAL . 30070 1 89 68 ILE . 30070 1 90 69 THR . 30070 1 91 70 ASN . 30070 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 30070 1 . GLY 2 2 30070 1 . SER 3 3 30070 1 . SER 4 4 30070 1 . HIS 5 5 30070 1 . HIS 6 6 30070 1 . HIS 7 7 30070 1 . HIS 8 8 30070 1 . HIS 9 9 30070 1 . HIS 10 10 30070 1 . SER 11 11 30070 1 . SER 12 12 30070 1 . GLY 13 13 30070 1 . ARG 14 14 30070 1 . GLU 15 15 30070 1 . ASN 16 16 30070 1 . LEU 17 17 30070 1 . TYR 18 18 30070 1 . PHE 19 19 30070 1 . GLN 20 20 30070 1 . GLY 21 21 30070 1 . MET 22 22 30070 1 . GLY 23 23 30070 1 . LYS 24 24 30070 1 . ALA 25 25 30070 1 . TYR 26 26 30070 1 . TYR 27 27 30070 1 . ASP 28 28 30070 1 . ILE 29 29 30070 1 . VAL 30 30 30070 1 . GLY 31 31 30070 1 . SER 32 32 30070 1 . ASP 33 33 30070 1 . ASN 34 34 30070 1 . ARG 35 35 30070 1 . TRP 36 36 30070 1 . GLY 37 37 30070 1 . ILE 38 38 30070 1 . ARG 39 39 30070 1 . HIS 40 40 30070 1 . ASP 41 41 30070 1 . ASP 42 42 30070 1 . ASP 43 43 30070 1 . PRO 44 44 30070 1 . THR 45 45 30070 1 . GLY 46 46 30070 1 . ASP 47 47 30070 1 . TYR 48 48 30070 1 . SER 49 49 30070 1 . SER 50 50 30070 1 . LYS 51 51 30070 1 . GLU 52 52 30070 1 . ALA 53 53 30070 1 . ALA 54 54 30070 1 . PHE 55 55 30070 1 . GLU 56 56 30070 1 . ALA 57 57 30070 1 . ALA 58 58 30070 1 . CYS 59 59 30070 1 . ALA 60 60 30070 1 . ALA 61 61 30070 1 . ALA 62 62 30070 1 . SER 63 63 30070 1 . ASN 64 64 30070 1 . ALA 65 65 30070 1 . ILE 66 66 30070 1 . LYS 67 67 30070 1 . PHE 68 68 30070 1 . GLY 69 69 30070 1 . HIS 70 70 30070 1 . GLU 71 71 30070 1 . VAL 72 72 30070 1 . ARG 73 73 30070 1 . ILE 74 74 30070 1 . THR 75 75 30070 1 . VAL 76 76 30070 1 . PRO 77 77 30070 1 . GLY 78 78 30070 1 . ASN 79 79 30070 1 . ASP 80 80 30070 1 . GLY 81 81 30070 1 . SER 82 82 30070 1 . GLU 83 83 30070 1 . THR 84 84 30070 1 . ASN 85 85 30070 1 . LEU 86 86 30070 1 . GLY 87 87 30070 1 . VAL 88 88 30070 1 . ILE 89 89 30070 1 . THR 90 90 30070 1 . ASN 91 91 30070 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 30070 _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 . 258594 . . 'Rhodopseudomonas palustris (strain ATCC BAA-98 / CGA009)' a-proteobacteria . . Bacteria . Rhodopseudomonas 'Rhodopseudomonas palustris' 'ATCC BAA-98 / CGA009' . . . . . . . . . . RPA3313 . 30070 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 30070 _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' . . 469008 Escherichia coli . . . . . . . . . . 30070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30070 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '18 mM NA MES, 80 mM sodium chloride, 0.1 % sodium azide, 90% H2O/10% D2O' _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 RPA3313 none . . 1 $entity_1 . . 1 . . mM . . . . 30070 1 2 MES 'natural abundance' . . . . . . 18 . . mM . . . . 30070 1 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 30070 1 4 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 30070 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 30070 _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' 80 . mM 30070 1 pH 5.6 . pH 30070 1 pressure 1 . atm 30070 1 temperature 298 . K 30070 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30070 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30070 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30070 1 'peak picking' 30070 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30070 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.41.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30070 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30070 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '5mm QCI-P cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30070 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'Avance III' . 700 . . . 30070 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 30070 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 7 '3D CC(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 8 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 9 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 1 16 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30070 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 30070 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30070 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 30070 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 12 '2D 1H-13C HSQC' . . . 30070 1 13 '2D 1H-15N HSQC' . . . 30070 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 . . 30070 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 22 22 MET H H 1 8.268 0.002 . 1 . 282 . A 1 MET H . 30070 1 2 . 1 1 22 22 MET HA H 1 4.344 0.013 . 1 . 872 . A 1 MET HA . 30070 1 3 . 1 1 22 22 MET HB2 H 1 1.893 0.015 . 2 . 873 . A 1 MET HB2 . 30070 1 4 . 1 1 22 22 MET HB3 H 1 1.890 0.017 . 2 . 1027 . A 1 MET HB3 . 30070 1 5 . 1 1 22 22 MET HG2 H 1 2.494 0.003 . 2 . 874 . A 1 MET HG2 . 30070 1 6 . 1 1 22 22 MET HG3 H 1 2.444 0.011 . 2 . 1028 . A 1 MET HG3 . 30070 1 7 . 1 1 22 22 MET HE1 H 1 2.270 0.012 . 1 . 1429 . A 1 MET HE1 . 30070 1 8 . 1 1 22 22 MET HE2 H 1 2.270 0.012 . 1 . 1429 . A 1 MET HE2 . 30070 1 9 . 1 1 22 22 MET HE3 H 1 2.270 0.012 . 1 . 1429 . A 1 MET HE3 . 30070 1 10 . 1 1 22 22 MET C C 13 174.131 0.015 . 1 . 474 . A 1 MET C . 30070 1 11 . 1 1 22 22 MET CA C 13 52.698 0.004 . 1 . 475 . A 1 MET CA . 30070 1 12 . 1 1 22 22 MET CB C 13 30.085 0.001 . 1 . 476 . A 1 MET CB . 30070 1 13 . 1 1 22 22 MET CG C 13 29.202 0.0 . 1 . 477 . A 1 MET CG . 30070 1 14 . 1 1 22 22 MET CE C 13 26.297 . . 1 . 1377 . A 1 MET CE . 30070 1 15 . 1 1 22 22 MET N N 15 119.717 0.01 . 1 . 283 . A 1 MET N . 30070 1 16 . 1 1 23 23 GLY H H 1 8.581 0.021 . 1 . 472 . A 2 GLY H . 30070 1 17 . 1 1 23 23 GLY HA2 H 1 3.689 0.024 . 2 . 862 . A 2 GLY HA2 . 30070 1 18 . 1 1 23 23 GLY HA3 H 1 2.596 0.015 . 2 . 863 . A 2 GLY HA3 . 30070 1 19 . 1 1 23 23 GLY C C 13 170.985 0.007 . 1 . 328 . A 2 GLY C . 30070 1 20 . 1 1 23 23 GLY CA C 13 42.509 0.009 . 1 . 329 . A 2 GLY CA . 30070 1 21 . 1 1 23 23 GLY N N 15 110.506 0.018 . 1 . 473 . A 2 GLY N . 30070 1 22 . 1 1 24 24 LYS H H 1 7.996 0.009 . 1 . 326 . A 3 LYS H . 30070 1 23 . 1 1 24 24 LYS HA H 1 4.382 0.014 . 1 . 864 . A 3 LYS HA . 30070 1 24 . 1 1 24 24 LYS HB2 H 1 1.092 0.005 . 2 . 1364 . A 3 LYS HB2 . 30070 1 25 . 1 1 24 24 LYS HB3 H 1 0.948 0.016 . 2 . 1365 . A 3 LYS HB3 . 30070 1 26 . 1 1 24 24 LYS HG2 H 1 1.214 0.009 . 2 . 1430 . A 3 LYS HG2 . 30070 1 27 . 1 1 24 24 LYS HG3 H 1 1.187 0.007 . 2 . 1431 . A 3 LYS HG3 . 30070 1 28 . 1 1 24 24 LYS HD2 H 1 1.519 0.003 . 2 . 1432 . A 3 LYS HD2 . 30070 1 29 . 1 1 24 24 LYS HD3 H 1 1.535 0.007 . 2 . 1433 . A 3 LYS HD3 . 30070 1 30 . 1 1 24 24 LYS HE2 H 1 3.009 . . 2 . 1434 . A 3 LYS HE2 . 30070 1 31 . 1 1 24 24 LYS HE3 H 1 3.000 . . 2 . 1435 . A 3 LYS HE3 . 30070 1 32 . 1 1 24 24 LYS HZ1 H 1 7.266 0.022 . 1 . 1436 . A 3 LYS HZ1 . 30070 1 33 . 1 1 24 24 LYS HZ2 H 1 7.266 0.022 . 1 . 1436 . A 3 LYS HZ2 . 30070 1 34 . 1 1 24 24 LYS HZ3 H 1 7.266 0.022 . 1 . 1436 . A 3 LYS HZ3 . 30070 1 35 . 1 1 24 24 LYS C C 13 172.734 0.085 . 1 . 580 . A 3 LYS C . 30070 1 36 . 1 1 24 24 LYS CA C 13 53.044 0.022 . 1 . 581 . A 3 LYS CA . 30070 1 37 . 1 1 24 24 LYS CB C 13 30.954 0.0 . 1 . 582 . A 3 LYS CB . 30070 1 38 . 1 1 24 24 LYS CG C 13 25.040 0.0 . 1 . 1378 . A 3 LYS CG . 30070 1 39 . 1 1 24 24 LYS CD C 13 28.245 . . 1 . 1380 . A 3 LYS CD . 30070 1 40 . 1 1 24 24 LYS CE C 13 42.515 . . 1 . 1379 . A 3 LYS CE . 30070 1 41 . 1 1 24 24 LYS N N 15 120.623 0.009 . 1 . 327 . A 3 LYS N . 30070 1 42 . 1 1 25 25 ALA H H 1 9.125 0.018 . 1 . 578 . A 4 ALA H . 30070 1 43 . 1 1 25 25 ALA HA H 1 4.353 0.005 . 1 . 867 . A 4 ALA HA . 30070 1 44 . 1 1 25 25 ALA HB1 H 1 1.233 0.011 . 1 . 868 . A 4 ALA HB1 . 30070 1 45 . 1 1 25 25 ALA HB2 H 1 1.233 0.011 . 1 . 868 . A 4 ALA HB2 . 30070 1 46 . 1 1 25 25 ALA HB3 H 1 1.233 0.011 . 1 . 868 . A 4 ALA HB3 . 30070 1 47 . 1 1 25 25 ALA C C 13 170.375 0.038 . 1 . 636 . A 4 ALA C . 30070 1 48 . 1 1 25 25 ALA CA C 13 48.502 0.006 . 1 . 637 . A 4 ALA CA . 30070 1 49 . 1 1 25 25 ALA CB C 13 16.839 0.002 . 1 . 638 . A 4 ALA CB . 30070 1 50 . 1 1 25 25 ALA N N 15 128.232 0.01 . 1 . 579 . A 4 ALA N . 30070 1 51 . 1 1 26 26 TYR H H 1 8.462 0.005 . 1 . 634 . A 5 TYR H . 30070 1 52 . 1 1 26 26 TYR HA H 1 4.863 0.009 . 1 . 869 . A 5 TYR HA . 30070 1 53 . 1 1 26 26 TYR HB2 H 1 2.974 0.009 . 2 . 870 . A 5 TYR HB2 . 30070 1 54 . 1 1 26 26 TYR HB3 H 1 2.368 0.01 . 2 . 871 . A 5 TYR HB3 . 30070 1 55 . 1 1 26 26 TYR HD1 H 1 6.688 0.046 . 1 . 1437 . A 5 TYR HD1 . 30070 1 56 . 1 1 26 26 TYR HD2 H 1 6.688 0.046 . 1 . 1437 . A 5 TYR HD2 . 30070 1 57 . 1 1 26 26 TYR HE1 H 1 5.856 0.003 . 1 . 1438 . A 5 TYR HE1 . 30070 1 58 . 1 1 26 26 TYR HE2 H 1 5.856 0.003 . 1 . 1438 . A 5 TYR HE2 . 30070 1 59 . 1 1 26 26 TYR HH H 1 8.364 0.003 . 1 . 1439 . A 5 TYR HH . 30070 1 60 . 1 1 26 26 TYR C C 13 173.023 0.086 . 1 . 178 . A 5 TYR C . 30070 1 61 . 1 1 26 26 TYR CA C 13 50.731 0.008 . 1 . 179 . A 5 TYR CA . 30070 1 62 . 1 1 26 26 TYR CB C 13 34.906 0.004 . 1 . 180 . A 5 TYR CB . 30070 1 63 . 1 1 26 26 TYR N N 15 122.914 0.01 . 1 . 635 . A 5 TYR N . 30070 1 64 . 1 1 27 27 TYR H H 1 9.044 0.01 . 1 . 176 . A 6 TYR H . 30070 1 65 . 1 1 27 27 TYR HA H 1 4.996 0.008 . 1 . 875 . A 6 TYR HA . 30070 1 66 . 1 1 27 27 TYR HB2 H 1 2.915 0.009 . 2 . 876 . A 6 TYR HB2 . 30070 1 67 . 1 1 27 27 TYR HB3 H 1 2.564 0.012 . 2 . 877 . A 6 TYR HB3 . 30070 1 68 . 1 1 27 27 TYR HD1 H 1 7.057 0.012 . 1 . 1440 . A 6 TYR HD1 . 30070 1 69 . 1 1 27 27 TYR HD2 H 1 7.057 0.012 . 1 . 1440 . A 6 TYR HD2 . 30070 1 70 . 1 1 27 27 TYR HE1 H 1 6.905 0.02 . 1 . 1442 . A 6 TYR HE1 . 30070 1 71 . 1 1 27 27 TYR HE2 H 1 6.905 0.02 . 1 . 1442 . A 6 TYR HE2 . 30070 1 72 . 1 1 27 27 TYR HH H 1 5.816 0.015 . 1 . 1441 . A 6 TYR HH . 30070 1 73 . 1 1 27 27 TYR C C 13 171.291 0.006 . 1 . 162 . A 6 TYR C . 30070 1 74 . 1 1 27 27 TYR CA C 13 54.108 0.005 . 1 . 163 . A 6 TYR CA . 30070 1 75 . 1 1 27 27 TYR CB C 13 37.792 0.0 . 1 . 164 . A 6 TYR CB . 30070 1 76 . 1 1 27 27 TYR N N 15 122.441 0.019 . 1 . 177 . A 6 TYR N . 30070 1 77 . 1 1 28 28 ASP H H 1 8.755 0.011 . 1 . 160 . A 7 ASP H . 30070 1 78 . 1 1 28 28 ASP HA H 1 4.218 0.011 . 1 . 878 . A 7 ASP HA . 30070 1 79 . 1 1 28 28 ASP HB2 H 1 3.358 0.018 . 2 . 879 . A 7 ASP HB2 . 30070 1 80 . 1 1 28 28 ASP HB3 H 1 2.507 0.032 . 2 . 880 . A 7 ASP HB3 . 30070 1 81 . 1 1 28 28 ASP C C 13 171.580 0.063 . 1 . 32 . A 7 ASP C . 30070 1 82 . 1 1 28 28 ASP CA C 13 49.978 0.001 . 1 . 33 . A 7 ASP CA . 30070 1 83 . 1 1 28 28 ASP CB C 13 40.719 0.005 . 1 . 34 . A 7 ASP CB . 30070 1 84 . 1 1 28 28 ASP N N 15 123.211 0.03 . 1 . 161 . A 7 ASP N . 30070 1 85 . 1 1 29 29 ILE H H 1 8.740 0.019 . 1 . 30 . A 8 ILE H . 30070 1 86 . 1 1 29 29 ILE HA H 1 4.929 0.011 . 1 . 881 . A 8 ILE HA . 30070 1 87 . 1 1 29 29 ILE HB H 1 1.195 0.012 . 1 . 882 . A 8 ILE HB . 30070 1 88 . 1 1 29 29 ILE HG12 H 1 1.479 0.025 . 2 . 1443 . A 8 ILE HG12 . 30070 1 89 . 1 1 29 29 ILE HG13 H 1 1.711 0.022 . 2 . 1444 . A 8 ILE HG13 . 30070 1 90 . 1 1 29 29 ILE HG21 H 1 0.998 0.024 . 1 . 1445 . A 8 ILE HG21 . 30070 1 91 . 1 1 29 29 ILE HG22 H 1 0.998 0.024 . 1 . 1445 . A 8 ILE HG22 . 30070 1 92 . 1 1 29 29 ILE HG23 H 1 0.998 0.024 . 1 . 1445 . A 8 ILE HG23 . 30070 1 93 . 1 1 29 29 ILE HD11 H 1 1.021 0.005 . 1 . 1446 . A 8 ILE HD11 . 30070 1 94 . 1 1 29 29 ILE HD12 H 1 1.021 0.005 . 1 . 1446 . A 8 ILE HD12 . 30070 1 95 . 1 1 29 29 ILE HD13 H 1 1.021 0.005 . 1 . 1446 . A 8 ILE HD13 . 30070 1 96 . 1 1 29 29 ILE C C 13 172.323 0.004 . 1 . 218 . A 8 ILE C . 30070 1 97 . 1 1 29 29 ILE CA C 13 59.402 0.005 . 1 . 219 . A 8 ILE CA . 30070 1 98 . 1 1 29 29 ILE CB C 13 39.928 0.0 . 1 . 1384 . A 8 ILE CB . 30070 1 99 . 1 1 29 29 ILE CG1 C 13 23.382 0.0 . 1 . 1381 . A 8 ILE CG1 . 30070 1 100 . 1 1 29 29 ILE CG2 C 13 17.380 . . 1 . 1382 . A 8 ILE CG2 . 30070 1 101 . 1 1 29 29 ILE CD1 C 13 8.066 . . 1 . 1383 . A 8 ILE CD1 . 30070 1 102 . 1 1 29 29 ILE N N 15 128.137 0.006 . 1 . 31 . A 8 ILE N . 30070 1 103 . 1 1 30 30 VAL H H 1 8.712 0.004 . 1 . 216 . A 9 VAL H . 30070 1 104 . 1 1 30 30 VAL HA H 1 4.894 0.009 . 1 . 883 . A 9 VAL HA . 30070 1 105 . 1 1 30 30 VAL HB H 1 2.020 0.011 . 1 . 884 . A 9 VAL HB . 30070 1 106 . 1 1 30 30 VAL HG11 H 1 0.804 0.023 . 2 . 885 . A 9 VAL HG11 . 30070 1 107 . 1 1 30 30 VAL HG12 H 1 0.804 0.023 . 2 . 885 . A 9 VAL HG12 . 30070 1 108 . 1 1 30 30 VAL HG13 H 1 0.804 0.023 . 2 . 885 . A 9 VAL HG13 . 30070 1 109 . 1 1 30 30 VAL HG21 H 1 0.818 0.016 . 2 . 1029 . A 9 VAL HG21 . 30070 1 110 . 1 1 30 30 VAL HG22 H 1 0.818 0.016 . 2 . 1029 . A 9 VAL HG22 . 30070 1 111 . 1 1 30 30 VAL HG23 H 1 0.818 0.016 . 2 . 1029 . A 9 VAL HG23 . 30070 1 112 . 1 1 30 30 VAL C C 13 171.799 0.002 . 1 . 444 . A 9 VAL C . 30070 1 113 . 1 1 30 30 VAL CA C 13 56.573 0.009 . 1 . 445 . A 9 VAL CA . 30070 1 114 . 1 1 30 30 VAL CB C 13 31.739 0.0 . 1 . 1387 . A 9 VAL CB . 30070 1 115 . 1 1 30 30 VAL CG1 C 13 23.458 . . 2 . 1388 . A 9 VAL CG1 . 30070 1 116 . 1 1 30 30 VAL CG2 C 13 24.281 0.003 . 2 . 1389 . A 9 VAL CG2 . 30070 1 117 . 1 1 30 30 VAL N N 15 121.453 0.013 . 1 . 217 . A 9 VAL N . 30070 1 118 . 1 1 31 31 GLY H H 1 8.282 0.007 . 1 . 442 . A 10 GLY H . 30070 1 119 . 1 1 31 31 GLY HA2 H 1 3.851 0.006 . 2 . 886 . A 10 GLY HA2 . 30070 1 120 . 1 1 31 31 GLY HA3 H 1 3.355 0.012 . 2 . 887 . A 10 GLY HA3 . 30070 1 121 . 1 1 31 31 GLY C C 13 168.519 0.01 . 1 . 542 . A 10 GLY C . 30070 1 122 . 1 1 31 31 GLY CA C 13 41.621 0.014 . 1 . 543 . A 10 GLY CA . 30070 1 123 . 1 1 31 31 GLY N N 15 110.724 0.013 . 1 . 443 . A 10 GLY N . 30070 1 124 . 1 1 32 32 SER H H 1 6.600 0.02 . 1 . 540 . A 11 SER H . 30070 1 125 . 1 1 32 32 SER HA H 1 4.197 0.004 . 1 . 890 . A 11 SER HA . 30070 1 126 . 1 1 32 32 SER HB2 H 1 3.813 0.014 . 2 . 888 . A 11 SER HB2 . 30070 1 127 . 1 1 32 32 SER HB3 H 1 3.528 0.025 . 2 . 889 . A 11 SER HB3 . 30070 1 128 . 1 1 32 32 SER HG H 1 1.073 . . 1 . 1375 . A 11 SER HG . 30070 1 129 . 1 1 32 32 SER C C 13 170.188 0.009 . 1 . 223 . A 11 SER C . 30070 1 130 . 1 1 32 32 SER CA C 13 54.809 0.008 . 1 . 224 . A 11 SER CA . 30070 1 131 . 1 1 32 32 SER CB C 13 61.196 0.004 . 1 . 225 . A 11 SER CB . 30070 1 132 . 1 1 32 32 SER N N 15 110.342 0.01 . 1 . 541 . A 11 SER N . 30070 1 133 . 1 1 33 33 ASP H H 1 9.005 0.005 . 1 . 221 . A 12 ASP H . 30070 1 134 . 1 1 33 33 ASP HA H 1 4.183 0.012 . 1 . 891 . A 12 ASP HA . 30070 1 135 . 1 1 33 33 ASP HB2 H 1 2.687 0.017 . 2 . 892 . A 12 ASP HB2 . 30070 1 136 . 1 1 33 33 ASP HB3 H 1 2.669 0.011 . 2 . 1030 . A 12 ASP HB3 . 30070 1 137 . 1 1 33 33 ASP C C 13 172.525 0.006 . 1 . 204 . A 12 ASP C . 30070 1 138 . 1 1 33 33 ASP CA C 13 53.927 0.018 . 1 . 205 . A 12 ASP CA . 30070 1 139 . 1 1 33 33 ASP CB C 13 36.870 0.0 . 1 . 206 . A 12 ASP CB . 30070 1 140 . 1 1 33 33 ASP N N 15 119.803 0.012 . 1 . 222 . A 12 ASP N . 30070 1 141 . 1 1 34 34 ASN H H 1 8.496 0.015 . 1 . 202 . A 13 ASN H . 30070 1 142 . 1 1 34 34 ASN HA H 1 5.069 0.01 . 1 . 893 . A 13 ASN HA . 30070 1 143 . 1 1 34 34 ASN HB2 H 1 2.968 0.012 . 2 . 894 . A 13 ASN HB2 . 30070 1 144 . 1 1 34 34 ASN HB3 H 1 2.973 0.009 . 2 . 1031 . A 13 ASN HB3 . 30070 1 145 . 1 1 34 34 ASN HD21 H 1 7.694 . . 1 . 1447 . A 13 ASN HD21 . 30070 1 146 . 1 1 34 34 ASN HD22 H 1 7.946 . . 1 . 1448 . A 13 ASN HD22 . 30070 1 147 . 1 1 34 34 ASN C C 13 170.917 0.009 . 1 . 320 . A 13 ASN C . 30070 1 148 . 1 1 34 34 ASN CA C 13 50.164 0.011 . 1 . 321 . A 13 ASN CA . 30070 1 149 . 1 1 34 34 ASN CB C 13 35.887 0.002 . 1 . 322 . A 13 ASN CB . 30070 1 150 . 1 1 34 34 ASN N N 15 120.710 0.007 . 1 . 203 . A 13 ASN N . 30070 1 151 . 1 1 35 35 ARG H H 1 8.035 0.008 . 1 . 318 . A 14 ARG H . 30070 1 152 . 1 1 35 35 ARG HA H 1 4.649 0.011 . 1 . 895 . A 14 ARG HA . 30070 1 153 . 1 1 35 35 ARG HB2 H 1 1.592 0.02 . 2 . 896 . A 14 ARG HB2 . 30070 1 154 . 1 1 35 35 ARG HB3 H 1 1.575 0.017 . 2 . 1032 . A 14 ARG HB3 . 30070 1 155 . 1 1 35 35 ARG HG2 H 1 0.602 0.022 . 2 . 1449 . A 14 ARG HG2 . 30070 1 156 . 1 1 35 35 ARG HG3 H 1 0.904 0.006 . 2 . 1450 . A 14 ARG HG3 . 30070 1 157 . 1 1 35 35 ARG HD2 H 1 3.134 0.016 . 2 . 897 . A 14 ARG HD2 . 30070 1 158 . 1 1 35 35 ARG HD3 H 1 2.754 0.012 . 2 . 1451 . A 14 ARG HD3 . 30070 1 159 . 1 1 35 35 ARG HE H 1 7.100 0.015 . 1 . 1452 . A 14 ARG HE . 30070 1 160 . 1 1 35 35 ARG C C 13 171.132 0.001 . 1 . 41 . A 14 ARG C . 30070 1 161 . 1 1 35 35 ARG CA C 13 53.474 0.007 . 1 . 42 . A 14 ARG CA . 30070 1 162 . 1 1 35 35 ARG CB C 13 28.690 0.009 . 1 . 43 . A 14 ARG CB . 30070 1 163 . 1 1 35 35 ARG CG C 13 28.375 . . 1 . 1385 . A 14 ARG CG . 30070 1 164 . 1 1 35 35 ARG CD C 13 41.595 0.0 . 1 . 1386 . A 14 ARG CD . 30070 1 165 . 1 1 35 35 ARG N N 15 121.250 0.009 . 1 . 319 . A 14 ARG N . 30070 1 166 . 1 1 36 36 TRP H H 1 8.926 0.021 . 1 . 39 . A 15 TRP H . 30070 1 167 . 1 1 36 36 TRP HA H 1 5.102 0.017 . 1 . 898 . A 15 TRP HA . 30070 1 168 . 1 1 36 36 TRP HB2 H 1 3.015 0.027 . 2 . 899 . A 15 TRP HB2 . 30070 1 169 . 1 1 36 36 TRP HB3 H 1 2.649 0.014 . 2 . 900 . A 15 TRP HB3 . 30070 1 170 . 1 1 36 36 TRP HD1 H 1 6.839 0.04 . 1 . 1453 . A 15 TRP HD1 . 30070 1 171 . 1 1 36 36 TRP C C 13 172.201 0.01 . 1 . 495 . A 15 TRP C . 30070 1 172 . 1 1 36 36 TRP CA C 13 52.922 0.015 . 1 . 496 . A 15 TRP CA . 30070 1 173 . 1 1 36 36 TRP CB C 13 29.638 0.003 . 1 . 497 . A 15 TRP CB . 30070 1 174 . 1 1 36 36 TRP N N 15 125.531 0.014 . 1 . 40 . A 15 TRP N . 30070 1 175 . 1 1 37 37 GLY H H 1 9.345 0.013 . 1 . 493 . A 16 GLY H . 30070 1 176 . 1 1 37 37 GLY HA2 H 1 4.828 0.022 . 2 . 901 . A 16 GLY HA2 . 30070 1 177 . 1 1 37 37 GLY HA3 H 1 3.743 0.004 . 2 . 902 . A 16 GLY HA3 . 30070 1 178 . 1 1 37 37 GLY C C 13 169.033 0.019 . 1 . 230 . A 16 GLY C . 30070 1 179 . 1 1 37 37 GLY CA C 13 41.802 0.005 . 1 . 232 . A 16 GLY CA . 30070 1 180 . 1 1 37 37 GLY N N 15 108.388 0.014 . 1 . 494 . A 16 GLY N . 30070 1 181 . 1 1 38 38 ILE H H 1 9.445 0.018 . 1 . 228 . A 17 ILE H . 30070 1 182 . 1 1 38 38 ILE HA H 1 4.639 0.012 . 1 . 903 . A 17 ILE HA . 30070 1 183 . 1 1 38 38 ILE HB H 1 1.863 0.032 . 1 . 904 . A 17 ILE HB . 30070 1 184 . 1 1 38 38 ILE HG12 H 1 0.954 0.015 . 2 . 1454 . A 17 ILE HG12 . 30070 1 185 . 1 1 38 38 ILE HG13 H 1 1.253 0.004 . 2 . 1455 . A 17 ILE HG13 . 30070 1 186 . 1 1 38 38 ILE HG21 H 1 0.805 0.015 . 1 . 1456 . A 17 ILE HG21 . 30070 1 187 . 1 1 38 38 ILE HG22 H 1 0.805 0.015 . 1 . 1456 . A 17 ILE HG22 . 30070 1 188 . 1 1 38 38 ILE HG23 H 1 0.805 0.015 . 1 . 1456 . A 17 ILE HG23 . 30070 1 189 . 1 1 38 38 ILE HD11 H 1 0.310 0.044 . 1 . 1457 . A 17 ILE HD11 . 30070 1 190 . 1 1 38 38 ILE HD12 H 1 0.310 0.044 . 1 . 1457 . A 17 ILE HD12 . 30070 1 191 . 1 1 38 38 ILE HD13 H 1 0.310 0.044 . 1 . 1457 . A 17 ILE HD13 . 30070 1 192 . 1 1 38 38 ILE C C 13 173.110 . . 1 . 3 . A 17 ILE C . 30070 1 193 . 1 1 38 38 ILE CA C 13 57.861 0.005 . 1 . 4 . A 17 ILE CA . 30070 1 194 . 1 1 38 38 ILE CB C 13 41.803 . . 1 . 1391 . A 17 ILE CB . 30070 1 195 . 1 1 38 38 ILE CG1 C 13 28.637 0.0 . 1 . 1390 . A 17 ILE CG1 . 30070 1 196 . 1 1 38 38 ILE CG2 C 13 20.710 0.0 . 1 . 1392 . A 17 ILE CG2 . 30070 1 197 . 1 1 38 38 ILE CD1 C 13 13.127 . . 1 . 1393 . A 17 ILE CD1 . 30070 1 198 . 1 1 38 38 ILE N N 15 119.148 0.007 . 1 . 229 . A 17 ILE N . 30070 1 199 . 1 1 39 39 ARG H H 1 9.742 0.022 . 1 . 1 . A 18 ARG H . 30070 1 200 . 1 1 39 39 ARG HA H 1 4.652 0.01 . 1 . 905 . A 18 ARG HA . 30070 1 201 . 1 1 39 39 ARG HB2 H 1 1.675 0.02 . 2 . 906 . A 18 ARG HB2 . 30070 1 202 . 1 1 39 39 ARG HB3 H 1 2.028 0.009 . 2 . 907 . A 18 ARG HB3 . 30070 1 203 . 1 1 39 39 ARG HG2 H 1 1.578 0.017 . 2 . 1458 . A 18 ARG HG2 . 30070 1 204 . 1 1 39 39 ARG HG3 H 1 1.267 0.009 . 2 . 1459 . A 18 ARG HG3 . 30070 1 205 . 1 1 39 39 ARG HD2 H 1 2.990 . . 2 . 1460 . A 18 ARG HD2 . 30070 1 206 . 1 1 39 39 ARG HD3 H 1 3.227 0.025 . 2 . 1461 . A 18 ARG HD3 . 30070 1 207 . 1 1 39 39 ARG HE H 1 7.096 0.02 . 1 . 1462 . A 18 ARG HE . 30070 1 208 . 1 1 39 39 ARG HH11 H 1 7.599 . . 1 . 1463 . A 18 ARG HH11 . 30070 1 209 . 1 1 39 39 ARG HH12 H 1 7.943 0.007 . 1 . 1464 . A 18 ARG HH12 . 30070 1 210 . 1 1 39 39 ARG HH21 H 1 8.298 0.005 . 1 . 1465 . A 18 ARG HH21 . 30070 1 211 . 1 1 39 39 ARG C C 13 173.468 0.016 . 1 . 24 . A 18 ARG C . 30070 1 212 . 1 1 39 39 ARG CA C 13 52.853 0.021 . 1 . 25 . A 18 ARG CA . 30070 1 213 . 1 1 39 39 ARG CB C 13 28.003 0.01 . 1 . 26 . A 18 ARG CB . 30070 1 214 . 1 1 39 39 ARG CG C 13 26.835 . . 1 . 1394 . A 18 ARG CG . 30070 1 215 . 1 1 39 39 ARG CD C 13 45.227 . . 1 . 1395 . A 18 ARG CD . 30070 1 216 . 1 1 39 39 ARG N N 15 129.108 0.017 . 1 . 2 . A 18 ARG N . 30070 1 217 . 1 1 40 40 HIS H H 1 9.014 0.019 . 1 . 22 . A 19 HIS H . 30070 1 218 . 1 1 40 40 HIS HA H 1 4.670 0.018 . 1 . 908 . A 19 HIS HA . 30070 1 219 . 1 1 40 40 HIS HB2 H 1 2.985 0.013 . 2 . 909 . A 19 HIS HB2 . 30070 1 220 . 1 1 40 40 HIS HB3 H 1 3.018 0.018 . 2 . 1033 . A 19 HIS HB3 . 30070 1 221 . 1 1 40 40 HIS HD1 H 1 6.884 0.01 . 1 . 1466 . A 19 HIS HD1 . 30070 1 222 . 1 1 40 40 HIS HD2 H 1 6.930 0.018 . 1 . 1467 . A 19 HIS HD2 . 30070 1 223 . 1 1 40 40 HIS C C 13 168.728 0.024 . 1 . 16 . A 19 HIS C . 30070 1 224 . 1 1 40 40 HIS CA C 13 53.049 0.005 . 1 . 17 . A 19 HIS CA . 30070 1 225 . 1 1 40 40 HIS CB C 13 26.880 0.02 . 1 . 18 . A 19 HIS CB . 30070 1 226 . 1 1 40 40 HIS N N 15 128.068 0.009 . 1 . 23 . A 19 HIS N . 30070 1 227 . 1 1 41 41 ASP H H 1 9.082 0.003 . 1 . 14 . A 20 ASP H . 30070 1 228 . 1 1 41 41 ASP HA H 1 4.618 0.003 . 1 . 910 . A 20 ASP HA . 30070 1 229 . 1 1 41 41 ASP HB2 H 1 2.749 0.005 . 2 . 911 . A 20 ASP HB2 . 30070 1 230 . 1 1 41 41 ASP HB3 H 1 2.146 0.013 . 2 . 1034 . A 20 ASP HB3 . 30070 1 231 . 1 1 41 41 ASP C C 13 172.249 0.009 . 1 . 786 . A 20 ASP C . 30070 1 232 . 1 1 41 41 ASP CA C 13 53.039 0.012 . 1 . 782 . A 20 ASP CA . 30070 1 233 . 1 1 41 41 ASP CB C 13 36.013 0.007 . 1 . 127 . A 20 ASP CB . 30070 1 234 . 1 1 41 41 ASP N N 15 128.010 0.014 . 1 . 15 . A 20 ASP N . 30070 1 235 . 1 1 42 42 ASP H H 1 8.235 0.004 . 1 . 124 . A 21 ASP H . 30070 1 236 . 1 1 42 42 ASP HA H 1 4.286 0.004 . 1 . 912 . A 21 ASP HA . 30070 1 237 . 1 1 42 42 ASP HB2 H 1 1.526 0.006 . 2 . 913 . A 21 ASP HB2 . 30070 1 238 . 1 1 42 42 ASP HB3 H 1 1.547 0.017 . 2 . 1035 . A 21 ASP HB3 . 30070 1 239 . 1 1 42 42 ASP C C 13 174.163 0.007 . 1 . 562 . A 21 ASP C . 30070 1 240 . 1 1 42 42 ASP CA C 13 52.464 0.01 . 1 . 565 . A 21 ASP CA . 30070 1 241 . 1 1 42 42 ASP CB C 13 39.649 0.001 . 1 . 566 . A 21 ASP CB . 30070 1 242 . 1 1 42 42 ASP N N 15 123.278 0.01 . 1 . 125 . A 21 ASP N . 30070 1 243 . 1 1 43 43 ASP H H 1 7.901 0.011 . 1 . 560 . A 22 ASP H . 30070 1 244 . 1 1 43 43 ASP C C 13 176.194 . . 1 . 563 . A 22 ASP C . 30070 1 245 . 1 1 43 43 ASP CA C 13 43.354 . . 1 . 564 . A 22 ASP CA . 30070 1 246 . 1 1 43 43 ASP CB C 13 40.897 . . 1 . 1396 . A 22 ASP CB . 30070 1 247 . 1 1 43 43 ASP N N 15 115.258 0.012 . 1 . 561 . A 22 ASP N . 30070 1 248 . 1 1 45 45 THR H H 1 8.568 0.009 . 1 . 417 . A 24 THR H . 30070 1 249 . 1 1 45 45 THR HA H 1 4.567 0.021 . 1 . 914 . A 24 THR HA . 30070 1 250 . 1 1 45 45 THR HB H 1 4.182 0.011 . 1 . 915 . A 24 THR HB . 30070 1 251 . 1 1 45 45 THR HG1 H 1 6.350 0.035 . 1 . 1468 . A 24 THR HG1 . 30070 1 252 . 1 1 45 45 THR HG21 H 1 1.242 0.012 . 1 . 916 . A 24 THR HG21 . 30070 1 253 . 1 1 45 45 THR HG22 H 1 1.242 0.012 . 1 . 916 . A 24 THR HG22 . 30070 1 254 . 1 1 45 45 THR HG23 H 1 1.242 0.012 . 1 . 916 . A 24 THR HG23 . 30070 1 255 . 1 1 45 45 THR C C 13 174.490 0.005 . 1 . 508 . A 24 THR C . 30070 1 256 . 1 1 45 45 THR CA C 13 60.564 0.007 . 1 . 509 . A 24 THR CA . 30070 1 257 . 1 1 45 45 THR CB C 13 67.396 0.002 . 1 . 510 . A 24 THR CB . 30070 1 258 . 1 1 45 45 THR CG2 C 13 18.515 0.002 . 1 . 511 . A 24 THR CG2 . 30070 1 259 . 1 1 45 45 THR N N 15 114.917 0.021 . 1 . 418 . A 24 THR N . 30070 1 260 . 1 1 46 46 GLY H H 1 8.122 0.012 . 1 . 506 . A 25 GLY H . 30070 1 261 . 1 1 46 46 GLY HA2 H 1 3.608 0.019 . 2 . 917 . A 25 GLY HA2 . 30070 1 262 . 1 1 46 46 GLY HA3 H 1 3.758 0.014 . 2 . 918 . A 25 GLY HA3 . 30070 1 263 . 1 1 46 46 GLY C C 13 169.337 0.023 . 1 . 704 . A 25 GLY C . 30070 1 264 . 1 1 46 46 GLY CA C 13 41.993 0.018 . 1 . 703 . A 25 GLY CA . 30070 1 265 . 1 1 46 46 GLY N N 15 108.346 0.004 . 1 . 507 . A 25 GLY N . 30070 1 266 . 1 1 47 47 ASP H H 1 7.639 0.017 . 1 . 603 . A 26 ASP H . 30070 1 267 . 1 1 47 47 ASP HA H 1 4.833 0.015 . 1 . 919 . A 26 ASP HA . 30070 1 268 . 1 1 47 47 ASP HB2 H 1 2.382 0.022 . 2 . 920 . A 26 ASP HB2 . 30070 1 269 . 1 1 47 47 ASP HB3 H 1 2.348 0.017 . 2 . 1036 . A 26 ASP HB3 . 30070 1 270 . 1 1 47 47 ASP C C 13 171.066 0.009 . 1 . 185 . A 26 ASP C . 30070 1 271 . 1 1 47 47 ASP CA C 13 51.266 0.02 . 1 . 186 . A 26 ASP CA . 30070 1 272 . 1 1 47 47 ASP CB C 13 39.130 0.004 . 1 . 187 . A 26 ASP CB . 30070 1 273 . 1 1 47 47 ASP N N 15 117.638 0.002 . 1 . 604 . A 26 ASP N . 30070 1 274 . 1 1 48 48 TYR H H 1 9.080 0.005 . 1 . 183 . A 27 TYR H . 30070 1 275 . 1 1 48 48 TYR HA H 1 4.744 0.018 . 1 . 921 . A 27 TYR HA . 30070 1 276 . 1 1 48 48 TYR HB2 H 1 2.710 0.015 . 2 . 922 . A 27 TYR HB2 . 30070 1 277 . 1 1 48 48 TYR HB3 H 1 3.070 0.016 . 2 . 923 . A 27 TYR HB3 . 30070 1 278 . 1 1 48 48 TYR HD1 H 1 6.980 0.012 . 1 . 1469 . A 27 TYR HD1 . 30070 1 279 . 1 1 48 48 TYR HD2 H 1 6.980 0.012 . 1 . 1469 . A 27 TYR HD2 . 30070 1 280 . 1 1 48 48 TYR HE1 H 1 6.123 0.035 . 1 . 1470 . A 27 TYR HE1 . 30070 1 281 . 1 1 48 48 TYR HE2 H 1 6.123 0.035 . 1 . 1470 . A 27 TYR HE2 . 30070 1 282 . 1 1 48 48 TYR C C 13 174.073 0.009 . 1 . 237 . A 27 TYR C . 30070 1 283 . 1 1 48 48 TYR CA C 13 54.018 0.009 . 1 . 239 . A 27 TYR CA . 30070 1 284 . 1 1 48 48 TYR CB C 13 38.699 0.004 . 1 . 240 . A 27 TYR CB . 30070 1 285 . 1 1 48 48 TYR N N 15 122.628 0.015 . 1 . 184 . A 27 TYR N . 30070 1 286 . 1 1 49 49 SER H H 1 9.096 0.014 . 1 . 235 . A 28 SER H . 30070 1 287 . 1 1 49 49 SER HA H 1 4.683 0.014 . 1 . 924 . A 28 SER HA . 30070 1 288 . 1 1 49 49 SER HB2 H 1 4.075 0.013 . 2 . 925 . A 28 SER HB2 . 30070 1 289 . 1 1 49 49 SER HB3 H 1 3.951 0.005 . 2 . 926 . A 28 SER HB3 . 30070 1 290 . 1 1 49 49 SER HG H 1 5.951 0.018 . 1 . 1471 . A 28 SER HG . 30070 1 291 . 1 1 49 49 SER C C 13 170.911 . . 1 . 766 . A 28 SER C . 30070 1 292 . 1 1 49 49 SER CA C 13 56.658 0.002 . 1 . 767 . A 28 SER CA . 30070 1 293 . 1 1 49 49 SER CB C 13 61.338 0.003 . 1 . 768 . A 28 SER CB . 30070 1 294 . 1 1 49 49 SER N N 15 115.353 0.012 . 1 . 236 . A 28 SER N . 30070 1 295 . 1 1 50 50 SER H H 1 7.391 0.008 . 1 . 764 . A 29 SER H . 30070 1 296 . 1 1 50 50 SER HA H 1 4.461 0.021 . 1 . 927 . A 29 SER HA . 30070 1 297 . 1 1 50 50 SER HB2 H 1 3.893 0.011 . 2 . 928 . A 29 SER HB2 . 30070 1 298 . 1 1 50 50 SER HB3 H 1 3.879 0.007 . 2 . 1037 . A 29 SER HB3 . 30070 1 299 . 1 1 50 50 SER HG H 1 4.177 . . 1 . 1472 . A 29 SER HG . 30070 1 300 . 1 1 50 50 SER C C 13 170.268 0.005 . 1 . 340 . A 29 SER C . 30070 1 301 . 1 1 50 50 SER CA C 13 53.951 0.015 . 1 . 341 . A 29 SER CA . 30070 1 302 . 1 1 50 50 SER CB C 13 63.921 0.0 . 1 . 342 . A 29 SER CB . 30070 1 303 . 1 1 50 50 SER N N 15 111.269 0.02 . 1 . 765 . A 29 SER N . 30070 1 304 . 1 1 51 51 LYS H H 1 7.898 0.012 . 1 . 338 . A 30 LYS H . 30070 1 305 . 1 1 51 51 LYS HA H 1 3.935 0.014 . 1 . 929 . A 30 LYS HA . 30070 1 306 . 1 1 51 51 LYS HB2 H 1 1.628 0.015 . 2 . 930 . A 30 LYS HB2 . 30070 1 307 . 1 1 51 51 LYS HB3 H 1 1.664 0.002 . 2 . 1038 . A 30 LYS HB3 . 30070 1 308 . 1 1 51 51 LYS HG2 H 1 1.187 0.016 . 2 . 1473 . A 30 LYS HG2 . 30070 1 309 . 1 1 51 51 LYS HG3 H 1 0.879 0.011 . 2 . 1474 . A 30 LYS HG3 . 30070 1 310 . 1 1 51 51 LYS HD2 H 1 1.474 0.019 . 2 . 1475 . A 30 LYS HD2 . 30070 1 311 . 1 1 51 51 LYS HD3 H 1 1.929 0.004 . 2 . 1476 . A 30 LYS HD3 . 30070 1 312 . 1 1 51 51 LYS HE2 H 1 3.073 0.015 . 2 . 1477 . A 30 LYS HE2 . 30070 1 313 . 1 1 51 51 LYS HE3 H 1 2.727 0.002 . 2 . 1478 . A 30 LYS HE3 . 30070 1 314 . 1 1 51 51 LYS HZ1 H 1 7.570 0.016 . 1 . 1479 . A 30 LYS HZ1 . 30070 1 315 . 1 1 51 51 LYS HZ2 H 1 7.570 0.016 . 1 . 1479 . A 30 LYS HZ2 . 30070 1 316 . 1 1 51 51 LYS HZ3 H 1 7.570 0.016 . 1 . 1479 . A 30 LYS HZ3 . 30070 1 317 . 1 1 51 51 LYS C C 13 175.286 0.026 . 1 . 261 . A 30 LYS C . 30070 1 318 . 1 1 51 51 LYS CA C 13 56.733 0.009 . 1 . 262 . A 30 LYS CA . 30070 1 319 . 1 1 51 51 LYS CB C 13 30.753 . . 1 . 1397 . A 30 LYS CB . 30070 1 320 . 1 1 51 51 LYS CG C 13 25.229 . . 1 . 1398 . A 30 LYS CG . 30070 1 321 . 1 1 51 51 LYS CD C 13 26.580 0.0 . 1 . 1399 . A 30 LYS CD . 30070 1 322 . 1 1 51 51 LYS CE C 13 42.274 . . 1 . 1400 . A 30 LYS CE . 30070 1 323 . 1 1 51 51 LYS N N 15 121.796 0.008 . 1 . 339 . A 30 LYS N . 30070 1 324 . 1 1 52 52 GLU H H 1 8.439 0.011 . 1 . 259 . A 31 GLU H . 30070 1 325 . 1 1 52 52 GLU HA H 1 3.731 0.003 . 1 . 931 . A 31 GLU HA . 30070 1 326 . 1 1 52 52 GLU HB2 H 1 1.869 0.009 . 2 . 932 . A 31 GLU HB2 . 30070 1 327 . 1 1 52 52 GLU HB3 H 1 2.095 0.013 . 2 . 933 . A 31 GLU HB3 . 30070 1 328 . 1 1 52 52 GLU HG2 H 1 2.334 0.022 . 2 . 1480 . A 31 GLU HG2 . 30070 1 329 . 1 1 52 52 GLU HG3 H 1 2.168 0.013 . 2 . 1481 . A 31 GLU HG3 . 30070 1 330 . 1 1 52 52 GLU C C 13 175.025 0.009 . 1 . 347 . A 31 GLU C . 30070 1 331 . 1 1 52 52 GLU CA C 13 57.060 0.011 . 1 . 348 . A 31 GLU CA . 30070 1 332 . 1 1 52 52 GLU CB C 13 25.282 0.002 . 1 . 349 . A 31 GLU CB . 30070 1 333 . 1 1 52 52 GLU CG C 13 32.148 0.0 . 1 . 350 . A 31 GLU CG . 30070 1 334 . 1 1 52 52 GLU N N 15 118.084 0.009 . 1 . 260 . A 31 GLU N . 30070 1 335 . 1 1 53 53 ALA H H 1 7.984 0.009 . 1 . 345 . A 32 ALA H . 30070 1 336 . 1 1 53 53 ALA HA H 1 3.978 0.012 . 1 . 934 . A 32 ALA HA . 30070 1 337 . 1 1 53 53 ALA HB1 H 1 1.516 0.016 . 1 . 935 . A 32 ALA HB1 . 30070 1 338 . 1 1 53 53 ALA HB2 H 1 1.516 0.016 . 1 . 935 . A 32 ALA HB2 . 30070 1 339 . 1 1 53 53 ALA HB3 H 1 1.516 0.016 . 1 . 935 . A 32 ALA HB3 . 30070 1 340 . 1 1 53 53 ALA C C 13 177.978 0.006 . 1 . 355 . A 32 ALA C . 30070 1 341 . 1 1 53 53 ALA CA C 13 52.256 0.007 . 1 . 356 . A 32 ALA CA . 30070 1 342 . 1 1 53 53 ALA CB C 13 15.858 0.001 . 1 . 357 . A 32 ALA CB . 30070 1 343 . 1 1 53 53 ALA N N 15 122.284 0.014 . 1 . 346 . A 32 ALA N . 30070 1 344 . 1 1 54 54 ALA H H 1 7.394 0.01 . 1 . 353 . A 33 ALA H . 30070 1 345 . 1 1 54 54 ALA HA H 1 2.762 0.012 . 1 . 936 . A 33 ALA HA . 30070 1 346 . 1 1 54 54 ALA HB1 H 1 1.170 0.019 . 1 . 937 . A 33 ALA HB1 . 30070 1 347 . 1 1 54 54 ALA HB2 H 1 1.170 0.019 . 1 . 937 . A 33 ALA HB2 . 30070 1 348 . 1 1 54 54 ALA HB3 H 1 1.170 0.019 . 1 . 937 . A 33 ALA HB3 . 30070 1 349 . 1 1 54 54 ALA C C 13 175.461 0.004 . 1 . 254 . A 33 ALA C . 30070 1 350 . 1 1 54 54 ALA CA C 13 51.698 0.013 . 1 . 255 . A 33 ALA CA . 30070 1 351 . 1 1 54 54 ALA CB C 13 15.686 0.009 . 1 . 256 . A 33 ALA CB . 30070 1 352 . 1 1 54 54 ALA N N 15 121.612 0.009 . 1 . 354 . A 33 ALA N . 30070 1 353 . 1 1 55 55 PHE H H 1 8.488 0.008 . 1 . 252 . A 34 PHE H . 30070 1 354 . 1 1 55 55 PHE HA H 1 3.919 0.01 . 1 . 938 . A 34 PHE HA . 30070 1 355 . 1 1 55 55 PHE HB2 H 1 3.064 0.015 . 2 . 939 . A 34 PHE HB2 . 30070 1 356 . 1 1 55 55 PHE HB3 H 1 2.768 0.011 . 2 . 940 . A 34 PHE HB3 . 30070 1 357 . 1 1 55 55 PHE HD1 H 1 7.100 0.024 . 1 . 1482 . A 34 PHE HD1 . 30070 1 358 . 1 1 55 55 PHE HD2 H 1 7.100 0.024 . 1 . 1482 . A 34 PHE HD2 . 30070 1 359 . 1 1 55 55 PHE HE1 H 1 7.361 0.016 . 1 . 1483 . A 34 PHE HE1 . 30070 1 360 . 1 1 55 55 PHE HE2 H 1 7.361 0.016 . 1 . 1483 . A 34 PHE HE2 . 30070 1 361 . 1 1 55 55 PHE HZ H 1 6.788 0.028 . 1 . 1484 . A 34 PHE HZ . 30070 1 362 . 1 1 55 55 PHE C C 13 174.583 0.011 . 1 . 276 . A 34 PHE C . 30070 1 363 . 1 1 55 55 PHE CA C 13 58.283 0.011 . 1 . 277 . A 34 PHE CA . 30070 1 364 . 1 1 55 55 PHE CB C 13 36.002 0.007 . 1 . 278 . A 34 PHE CB . 30070 1 365 . 1 1 55 55 PHE N N 15 118.342 0.01 . 1 . 253 . A 34 PHE N . 30070 1 366 . 1 1 56 56 GLU H H 1 8.435 0.012 . 1 . 274 . A 35 GLU H . 30070 1 367 . 1 1 56 56 GLU HA H 1 3.416 0.022 . 1 . 941 . A 35 GLU HA . 30070 1 368 . 1 1 56 56 GLU HB2 H 1 1.864 0.013 . 2 . 942 . A 35 GLU HB2 . 30070 1 369 . 1 1 56 56 GLU HB3 H 1 1.856 0.009 . 2 . 1039 . A 35 GLU HB3 . 30070 1 370 . 1 1 56 56 GLU HG2 H 1 2.192 0.008 . 2 . 944 . A 35 GLU HG2 . 30070 1 371 . 1 1 56 56 GLU HG3 H 1 2.514 0.02 . 2 . 945 . A 35 GLU HG3 . 30070 1 372 . 1 1 56 56 GLU C C 13 176.673 . . 1 . 372 . A 35 GLU C . 30070 1 373 . 1 1 56 56 GLU CA C 13 57.012 0.013 . 1 . 373 . A 35 GLU CA . 30070 1 374 . 1 1 56 56 GLU CB C 13 25.799 0.007 . 1 . 374 . A 35 GLU CB . 30070 1 375 . 1 1 56 56 GLU CG C 13 32.667 0.008 . 1 . 375 . A 35 GLU CG . 30070 1 376 . 1 1 56 56 GLU N N 15 119.775 0.01 . 1 . 275 . A 35 GLU N . 30070 1 377 . 1 1 57 57 ALA H H 1 7.286 0.012 . 1 . 370 . A 36 ALA H . 30070 1 378 . 1 1 57 57 ALA HA H 1 3.964 0.016 . 1 . 946 . A 36 ALA HA . 30070 1 379 . 1 1 57 57 ALA HB1 H 1 1.242 0.012 . 1 . 947 . A 36 ALA HB1 . 30070 1 380 . 1 1 57 57 ALA HB2 H 1 1.242 0.012 . 1 . 947 . A 36 ALA HB2 . 30070 1 381 . 1 1 57 57 ALA HB3 H 1 1.242 0.012 . 1 . 947 . A 36 ALA HB3 . 30070 1 382 . 1 1 57 57 ALA C C 13 177.932 0.029 . 1 . 117 . A 36 ALA C . 30070 1 383 . 1 1 57 57 ALA CA C 13 52.155 0.03 . 1 . 118 . A 36 ALA CA . 30070 1 384 . 1 1 57 57 ALA CB C 13 15.454 0.005 . 1 . 119 . A 36 ALA CB . 30070 1 385 . 1 1 57 57 ALA N N 15 122.247 0.014 . 1 . 371 . A 36 ALA N . 30070 1 386 . 1 1 58 58 ALA H H 1 8.210 0.01 . 1 . 115 . A 37 ALA H . 30070 1 387 . 1 1 58 58 ALA HA H 1 3.528 0.021 . 1 . 948 . A 37 ALA HA . 30070 1 388 . 1 1 58 58 ALA HB1 H 1 1.184 0.01 . 1 . 949 . A 37 ALA HB1 . 30070 1 389 . 1 1 58 58 ALA HB2 H 1 1.184 0.01 . 1 . 949 . A 37 ALA HB2 . 30070 1 390 . 1 1 58 58 ALA HB3 H 1 1.184 0.01 . 1 . 949 . A 37 ALA HB3 . 30070 1 391 . 1 1 58 58 ALA C C 13 175.874 0.021 . 1 . 393 . A 37 ALA C . 30070 1 392 . 1 1 58 58 ALA CA C 13 52.217 0.014 . 1 . 394 . A 37 ALA CA . 30070 1 393 . 1 1 58 58 ALA CB C 13 15.483 0.009 . 1 . 395 . A 37 ALA CB . 30070 1 394 . 1 1 58 58 ALA N N 15 123.804 0.014 . 1 . 116 . A 37 ALA N . 30070 1 395 . 1 1 59 59 CYS H H 1 8.002 0.007 . 1 . 391 . A 38 CYS H . 30070 1 396 . 1 1 59 59 CYS HA H 1 3.946 0.015 . 1 . 950 . A 38 CYS HA . 30070 1 397 . 1 1 59 59 CYS HB2 H 1 2.212 0.013 . 2 . 951 . A 38 CYS HB2 . 30070 1 398 . 1 1 59 59 CYS HB3 H 1 2.526 0.013 . 2 . 952 . A 38 CYS HB3 . 30070 1 399 . 1 1 59 59 CYS HG H 1 1.582 0.016 . 1 . 1485 . A 38 CYS HG . 30070 1 400 . 1 1 59 59 CYS C C 13 173.925 0.002 . 1 . 611 . A 38 CYS C . 30070 1 401 . 1 1 59 59 CYS CA C 13 61.660 0.006 . 1 . 610 . A 38 CYS CA . 30070 1 402 . 1 1 59 59 CYS CB C 13 23.653 0.001 . 1 . 785 . A 38 CYS CB . 30070 1 403 . 1 1 59 59 CYS N N 15 115.530 0.019 . 1 . 392 . A 38 CYS N . 30070 1 404 . 1 1 60 60 ALA H H 1 7.257 0.014 . 1 . 608 . A 39 ALA H . 30070 1 405 . 1 1 60 60 ALA HA H 1 3.588 0.023 . 1 . 953 . A 39 ALA HA . 30070 1 406 . 1 1 60 60 ALA HB1 H 1 1.298 0.011 . 1 . 954 . A 39 ALA HB1 . 30070 1 407 . 1 1 60 60 ALA HB2 H 1 1.298 0.011 . 1 . 954 . A 39 ALA HB2 . 30070 1 408 . 1 1 60 60 ALA HB3 H 1 1.298 0.011 . 1 . 954 . A 39 ALA HB3 . 30070 1 409 . 1 1 60 60 ALA C C 13 177.786 0.01 . 1 . 614 . A 39 ALA C . 30070 1 410 . 1 1 60 60 ALA CA C 13 52.086 0.038 . 1 . 571 . A 39 ALA CA . 30070 1 411 . 1 1 60 60 ALA CB C 13 14.717 0.003 . 1 . 752 . A 39 ALA CB . 30070 1 412 . 1 1 60 60 ALA N N 15 121.873 0.005 . 1 . 609 . A 39 ALA N . 30070 1 413 . 1 1 61 61 ALA H H 1 7.245 0.018 . 1 . 612 . A 40 ALA H . 30070 1 414 . 1 1 61 61 ALA HA H 1 4.129 0.013 . 1 . 956 . A 40 ALA HA . 30070 1 415 . 1 1 61 61 ALA HB1 H 1 1.113 0.006 . 1 . 955 . A 40 ALA HB1 . 30070 1 416 . 1 1 61 61 ALA HB2 H 1 1.113 0.006 . 1 . 955 . A 40 ALA HB2 . 30070 1 417 . 1 1 61 61 ALA HB3 H 1 1.113 0.006 . 1 . 955 . A 40 ALA HB3 . 30070 1 418 . 1 1 61 61 ALA C C 13 178.135 0.007 . 1 . 570 . A 40 ALA C . 30070 1 419 . 1 1 61 61 ALA CA C 13 52.046 0.015 . 1 . 784 . A 40 ALA CA . 30070 1 420 . 1 1 61 61 ALA CB C 13 14.628 0.012 . 1 . 572 . A 40 ALA CB . 30070 1 421 . 1 1 61 61 ALA N N 15 121.868 0.009 . 1 . 613 . A 40 ALA N . 30070 1 422 . 1 1 62 62 ALA H H 1 8.410 0.01 . 1 . 568 . A 41 ALA H . 30070 1 423 . 1 1 62 62 ALA HA H 1 3.766 0.02 . 1 . 957 . A 41 ALA HA . 30070 1 424 . 1 1 62 62 ALA HB1 H 1 1.079 0.017 . 1 . 958 . A 41 ALA HB1 . 30070 1 425 . 1 1 62 62 ALA HB2 H 1 1.079 0.017 . 1 . 958 . A 41 ALA HB2 . 30070 1 426 . 1 1 62 62 ALA HB3 H 1 1.079 0.017 . 1 . 958 . A 41 ALA HB3 . 30070 1 427 . 1 1 62 62 ALA C C 13 176.043 0.028 . 1 . 424 . A 41 ALA C . 30070 1 428 . 1 1 62 62 ALA CA C 13 51.396 0.021 . 1 . 425 . A 41 ALA CA . 30070 1 429 . 1 1 62 62 ALA CB C 13 16.718 0.003 . 1 . 426 . A 41 ALA CB . 30070 1 430 . 1 1 62 62 ALA N N 15 121.566 0.009 . 1 . 569 . A 41 ALA N . 30070 1 431 . 1 1 63 63 SER H H 1 8.031 0.017 . 1 . 422 . A 42 SER H . 30070 1 432 . 1 1 63 63 SER HA H 1 4.658 0.022 . 1 . 959 . A 42 SER HA . 30070 1 433 . 1 1 63 63 SER HB2 H 1 4.261 0.015 . 2 . 960 . A 42 SER HB2 . 30070 1 434 . 1 1 63 63 SER HB3 H 1 4.329 0.006 . 2 . 1040 . A 42 SER HB3 . 30070 1 435 . 1 1 63 63 SER HG H 1 5.749 . . 1 . 1486 . A 42 SER HG . 30070 1 436 . 1 1 63 63 SER C C 13 176.095 . . 1 . 755 . A 42 SER C . 30070 1 437 . 1 1 63 63 SER CA C 13 59.679 0.023 . 1 . 381 . A 42 SER CA . 30070 1 438 . 1 1 63 63 SER CB C 13 60.138 0.0 . 1 . 382 . A 42 SER CB . 30070 1 439 . 1 1 63 63 SER N N 15 112.967 0.009 . 1 . 423 . A 42 SER N . 30070 1 440 . 1 1 64 64 ASN H H 1 8.245 0.007 . 1 . 736 . A 43 ASN H . 30070 1 441 . 1 1 64 64 ASN HA H 1 4.306 0.008 . 1 . 961 . A 43 ASN HA . 30070 1 442 . 1 1 64 64 ASN HB2 H 1 2.712 0.016 . 2 . 962 . A 43 ASN HB2 . 30070 1 443 . 1 1 64 64 ASN HB3 H 1 2.699 0.01 . 2 . 1041 . A 43 ASN HB3 . 30070 1 444 . 1 1 64 64 ASN HD21 H 1 6.992 0.028 . 1 . 1487 . A 43 ASN HD21 . 30070 1 445 . 1 1 64 64 ASN HD22 H 1 7.500 0.018 . 1 . 1488 . A 43 ASN HD22 . 30070 1 446 . 1 1 64 64 ASN C C 13 173.271 0.025 . 1 . 516 . A 43 ASN C . 30070 1 447 . 1 1 64 64 ASN CA C 13 53.424 0.011 . 1 . 517 . A 43 ASN CA . 30070 1 448 . 1 1 64 64 ASN CB C 13 35.733 0.011 . 1 . 364 . A 43 ASN CB . 30070 1 449 . 1 1 64 64 ASN N N 15 122.625 0.01 . 1 . 737 . A 43 ASN N . 30070 1 450 . 1 1 65 65 ALA H H 1 7.400 0.013 . 1 . 362 . A 44 ALA H . 30070 1 451 . 1 1 65 65 ALA HA H 1 3.848 0.019 . 1 . 963 . A 44 ALA HA . 30070 1 452 . 1 1 65 65 ALA HB1 H 1 1.417 0.015 . 1 . 964 . A 44 ALA HB1 . 30070 1 453 . 1 1 65 65 ALA HB2 H 1 1.417 0.015 . 1 . 964 . A 44 ALA HB2 . 30070 1 454 . 1 1 65 65 ALA HB3 H 1 1.417 0.015 . 1 . 964 . A 44 ALA HB3 . 30070 1 455 . 1 1 65 65 ALA C C 13 177.741 0.009 . 1 . 291 . A 44 ALA C . 30070 1 456 . 1 1 65 65 ALA CA C 13 52.673 0.002 . 1 . 292 . A 44 ALA CA . 30070 1 457 . 1 1 65 65 ALA CB C 13 15.582 0.002 . 1 . 293 . A 44 ALA CB . 30070 1 458 . 1 1 65 65 ALA N N 15 122.224 0.005 . 1 . 363 . A 44 ALA N . 30070 1 459 . 1 1 66 66 ILE H H 1 8.227 0.009 . 1 . 289 . A 45 ILE H . 30070 1 460 . 1 1 66 66 ILE HA H 1 3.483 0.03 . 1 . 965 . A 45 ILE HA . 30070 1 461 . 1 1 66 66 ILE HB H 1 1.580 0.013 . 1 . 966 . A 45 ILE HB . 30070 1 462 . 1 1 66 66 ILE HG12 H 1 0.528 0.028 . 2 . 967 . A 45 ILE HG12 . 30070 1 463 . 1 1 66 66 ILE HG13 H 1 0.982 0.002 . 2 . 1489 . A 45 ILE HG13 . 30070 1 464 . 1 1 66 66 ILE C C 13 177.485 0.009 . 1 . 367 . A 45 ILE C . 30070 1 465 . 1 1 66 66 ILE CA C 13 61.981 0.007 . 1 . 368 . A 45 ILE CA . 30070 1 466 . 1 1 66 66 ILE CB C 13 36.949 . . 1 . 1401 . A 45 ILE CB . 30070 1 467 . 1 1 66 66 ILE CG1 C 13 26.649 0.0 . 1 . 1402 . A 45 ILE CG1 . 30070 1 468 . 1 1 66 66 ILE CG2 C 13 17.545 . . 1 . 1403 . A 45 ILE CG2 . 30070 1 469 . 1 1 66 66 ILE CD1 C 13 13.363 . . 1 . 1404 . A 45 ILE CD1 . 30070 1 470 . 1 1 66 66 ILE N N 15 118.365 0.005 . 1 . 290 . A 45 ILE N . 30070 1 471 . 1 1 67 67 LYS H H 1 7.348 0.014 . 1 . 365 . A 46 LYS H . 30070 1 472 . 1 1 67 67 LYS HA H 1 3.829 0.01 . 1 . 968 . A 46 LYS HA . 30070 1 473 . 1 1 67 67 LYS HB2 H 1 1.644 0.01 . 2 . 969 . A 46 LYS HB2 . 30070 1 474 . 1 1 67 67 LYS HB3 H 1 1.642 0.012 . 2 . 1042 . A 46 LYS HB3 . 30070 1 475 . 1 1 67 67 LYS HG2 H 1 0.990 0.033 . 2 . 1490 . A 46 LYS HG2 . 30070 1 476 . 1 1 67 67 LYS HG3 H 1 1.231 0.015 . 2 . 1491 . A 46 LYS HG3 . 30070 1 477 . 1 1 67 67 LYS HE2 H 1 2.903 0.005 . 2 . 1492 . A 46 LYS HE2 . 30070 1 478 . 1 1 67 67 LYS HE3 H 1 2.889 0.003 . 2 . 1493 . A 46 LYS HE3 . 30070 1 479 . 1 1 67 67 LYS HZ1 H 1 7.053 0.013 . 1 . 1494 . A 46 LYS HZ1 . 30070 1 480 . 1 1 67 67 LYS HZ2 H 1 7.053 0.013 . 1 . 1494 . A 46 LYS HZ2 . 30070 1 481 . 1 1 67 67 LYS HZ3 H 1 7.053 0.013 . 1 . 1494 . A 46 LYS HZ3 . 30070 1 482 . 1 1 67 67 LYS C C 13 175.068 . . 1 . 386 . A 46 LYS C . 30070 1 483 . 1 1 67 67 LYS CA C 13 56.397 0.019 . 1 . 387 . A 46 LYS CA . 30070 1 484 . 1 1 67 67 LYS CB C 13 28.911 0.006 . 1 . 388 . A 46 LYS CB . 30070 1 485 . 1 1 67 67 LYS CG C 13 24.076 . . 1 . 1405 . A 46 LYS CG . 30070 1 486 . 1 1 67 67 LYS CD C 13 28.712 . . 1 . 1406 . A 46 LYS CD . 30070 1 487 . 1 1 67 67 LYS CE C 13 40.791 . . 1 . 1407 . A 46 LYS CE . 30070 1 488 . 1 1 67 67 LYS N N 15 121.896 0.003 . 1 . 366 . A 46 LYS N . 30070 1 489 . 1 1 68 68 PHE H H 1 7.214 0.019 . 1 . 384 . A 47 PHE H . 30070 1 490 . 1 1 68 68 PHE HA H 1 4.438 0.013 . 1 . 970 . A 47 PHE HA . 30070 1 491 . 1 1 68 68 PHE HB2 H 1 3.195 0.025 . 2 . 971 . A 47 PHE HB2 . 30070 1 492 . 1 1 68 68 PHE HB3 H 1 2.496 0.019 . 2 . 972 . A 47 PHE HB3 . 30070 1 493 . 1 1 68 68 PHE HD1 H 1 6.472 0.046 . 1 . 1495 . A 47 PHE HD1 . 30070 1 494 . 1 1 68 68 PHE HD2 H 1 6.472 0.046 . 1 . 1495 . A 47 PHE HD2 . 30070 1 495 . 1 1 68 68 PHE HE1 H 1 6.286 0.004 . 1 . 1496 . A 47 PHE HE1 . 30070 1 496 . 1 1 68 68 PHE HE2 H 1 6.286 0.004 . 1 . 1496 . A 47 PHE HE2 . 30070 1 497 . 1 1 68 68 PHE C C 13 172.904 0.029 . 1 . 534 . A 47 PHE C . 30070 1 498 . 1 1 68 68 PHE CA C 13 55.255 0.003 . 1 . 535 . A 47 PHE CA . 30070 1 499 . 1 1 68 68 PHE CB C 13 36.169 0.017 . 1 . 536 . A 47 PHE CB . 30070 1 500 . 1 1 68 68 PHE N N 15 115.394 0.01 . 1 . 385 . A 47 PHE N . 30070 1 501 . 1 1 69 69 GLY H H 1 7.680 0.013 . 1 . 532 . A 48 GLY H . 30070 1 502 . 1 1 69 69 GLY HA2 H 1 4.088 0.019 . 2 . 973 . A 48 GLY HA2 . 30070 1 503 . 1 1 69 69 GLY HA3 H 1 4.201 0.015 . 2 . 974 . A 48 GLY HA3 . 30070 1 504 . 1 1 69 69 GLY C C 13 172.020 0.011 . 1 . 705 . A 48 GLY C . 30070 1 505 . 1 1 69 69 GLY CA C 13 43.330 0.008 . 1 . 702 . A 48 GLY CA . 30070 1 506 . 1 1 69 69 GLY N N 15 106.105 0.017 . 1 . 533 . A 48 GLY N . 30070 1 507 . 1 1 70 70 HIS H H 1 7.640 0.022 . 1 . 606 . A 49 HIS H . 30070 1 508 . 1 1 70 70 HIS HA H 1 4.597 0.013 . 1 . 975 . A 49 HIS HA . 30070 1 509 . 1 1 70 70 HIS HB2 H 1 2.651 0.013 . 2 . 976 . A 49 HIS HB2 . 30070 1 510 . 1 1 70 70 HIS HB3 H 1 2.934 0.024 . 2 . 977 . A 49 HIS HB3 . 30070 1 511 . 1 1 70 70 HIS HE1 H 1 7.511 0.017 . 1 . 1497 . A 49 HIS HE1 . 30070 1 512 . 1 1 70 70 HIS C C 13 171.995 0.014 . 1 . 155 . A 49 HIS C . 30070 1 513 . 1 1 70 70 HIS CA C 13 51.728 0.027 . 1 . 156 . A 49 HIS CA . 30070 1 514 . 1 1 70 70 HIS CB C 13 26.944 0.003 . 1 . 157 . A 49 HIS CB . 30070 1 515 . 1 1 70 70 HIS N N 15 117.653 0.018 . 1 . 607 . A 49 HIS N . 30070 1 516 . 1 1 71 71 GLU H H 1 8.554 0.008 . 1 . 153 . A 50 GLU H . 30070 1 517 . 1 1 71 71 GLU HA H 1 4.261 0.007 . 1 . 978 . A 50 GLU HA . 30070 1 518 . 1 1 71 71 GLU HB2 H 1 2.123 0.017 . 2 . 979 . A 50 GLU HB2 . 30070 1 519 . 1 1 71 71 GLU HB3 H 1 2.134 0.026 . 2 . 1043 . A 50 GLU HB3 . 30070 1 520 . 1 1 71 71 GLU HG2 H 1 2.631 0.02 . 2 . 980 . A 50 GLU HG2 . 30070 1 521 . 1 1 71 71 GLU HG3 H 1 1.901 0.009 . 2 . 1498 . A 50 GLU HG3 . 30070 1 522 . 1 1 71 71 GLU C C 13 172.431 0.011 . 1 . 48 . A 50 GLU C . 30070 1 523 . 1 1 71 71 GLU CA C 13 53.765 0.006 . 1 . 49 . A 50 GLU CA . 30070 1 524 . 1 1 71 71 GLU CB C 13 27.965 0.01 . 1 . 50 . A 50 GLU CB . 30070 1 525 . 1 1 71 71 GLU CG C 13 34.129 0.0 . 1 . 51 . A 50 GLU CG . 30070 1 526 . 1 1 71 71 GLU N N 15 124.111 0.01 . 1 . 154 . A 50 GLU N . 30070 1 527 . 1 1 72 72 VAL H H 1 8.673 0.015 . 1 . 46 . A 51 VAL H . 30070 1 528 . 1 1 72 72 VAL HA H 1 5.434 0.01 . 1 . 981 . A 51 VAL HA . 30070 1 529 . 1 1 72 72 VAL HB H 1 0.867 0.025 . 1 . 982 . A 51 VAL HB . 30070 1 530 . 1 1 72 72 VAL HG11 H 1 0.676 . . 2 . 1499 . A 51 VAL HG11 . 30070 1 531 . 1 1 72 72 VAL HG12 H 1 0.676 . . 2 . 1499 . A 51 VAL HG12 . 30070 1 532 . 1 1 72 72 VAL HG13 H 1 0.676 . . 2 . 1499 . A 51 VAL HG13 . 30070 1 533 . 1 1 72 72 VAL HG21 H 1 0.699 0.028 . 2 . 1500 . A 51 VAL HG21 . 30070 1 534 . 1 1 72 72 VAL HG22 H 1 0.699 0.028 . 2 . 1500 . A 51 VAL HG22 . 30070 1 535 . 1 1 72 72 VAL HG23 H 1 0.699 0.028 . 2 . 1500 . A 51 VAL HG23 . 30070 1 536 . 1 1 72 72 VAL C C 13 173.306 0.019 . 1 . 80 . A 51 VAL C . 30070 1 537 . 1 1 72 72 VAL CA C 13 57.456 0.006 . 1 . 81 . A 51 VAL CA . 30070 1 538 . 1 1 72 72 VAL CB C 13 32.253 . . 1 . 1408 . A 51 VAL CB . 30070 1 539 . 1 1 72 72 VAL CG1 C 13 19.757 . . 2 . 83 . A 51 VAL CG1 . 30070 1 540 . 1 1 72 72 VAL CG2 C 13 21.932 . . 2 . 1409 . A 51 VAL CG2 . 30070 1 541 . 1 1 72 72 VAL N N 15 125.675 0.012 . 1 . 47 . A 51 VAL N . 30070 1 542 . 1 1 73 73 ARG H H 1 8.134 0.02 . 1 . 78 . A 52 ARG H . 30070 1 543 . 1 1 73 73 ARG HA H 1 5.461 0.022 . 1 . 983 . A 52 ARG HA . 30070 1 544 . 1 1 73 73 ARG HB2 H 1 1.127 0.014 . 2 . 984 . A 52 ARG HB2 . 30070 1 545 . 1 1 73 73 ARG HB3 H 1 1.243 0.013 . 2 . 985 . A 52 ARG HB3 . 30070 1 546 . 1 1 73 73 ARG HG2 H 1 1.524 0.029 . 2 . 1501 . A 52 ARG HG2 . 30070 1 547 . 1 1 73 73 ARG HG3 H 1 1.372 0.004 . 2 . 1502 . A 52 ARG HG3 . 30070 1 548 . 1 1 73 73 ARG HD2 H 1 3.276 0.03 . 2 . 1503 . A 52 ARG HD2 . 30070 1 549 . 1 1 73 73 ARG HD3 H 1 2.543 0.022 . 2 . 1504 . A 52 ARG HD3 . 30070 1 550 . 1 1 73 73 ARG HE H 1 7.221 0.035 . 1 . 1505 . A 52 ARG HE . 30070 1 551 . 1 1 73 73 ARG HH11 H 1 6.649 0.031 . 1 . 1506 . A 52 ARG HH11 . 30070 1 552 . 1 1 73 73 ARG HH12 H 1 6.006 0.044 . 1 . 1507 . A 52 ARG HH12 . 30070 1 553 . 1 1 73 73 ARG HH21 H 1 6.649 0.031 . 1 . 1506 . A 52 ARG HH21 . 30070 1 554 . 1 1 73 73 ARG HH22 H 1 6.006 0.044 . 1 . 1507 . A 52 ARG HH22 . 30070 1 555 . 1 1 73 73 ARG C C 13 172.651 0.013 . 1 . 10 . A 52 ARG C . 30070 1 556 . 1 1 73 73 ARG CA C 13 52.788 0.004 . 1 . 11 . A 52 ARG CA . 30070 1 557 . 1 1 73 73 ARG CB C 13 31.887 . . 1 . 1410 . A 52 ARG CB . 30070 1 558 . 1 1 73 73 ARG CG C 13 26.863 0.0 . 1 . 1411 . A 52 ARG CG . 30070 1 559 . 1 1 73 73 ARG CD C 13 43.911 0.0 . 1 . 1412 . A 52 ARG CD . 30070 1 560 . 1 1 73 73 ARG N N 15 125.598 0.007 . 1 . 79 . A 52 ARG N . 30070 1 561 . 1 1 74 74 ILE H H 1 9.248 0.015 . 1 . 8 . A 53 ILE H . 30070 1 562 . 1 1 74 74 ILE HA H 1 3.820 0.012 . 1 . 986 . A 53 ILE HA . 30070 1 563 . 1 1 74 74 ILE HB H 1 1.643 0.016 . 1 . 987 . A 53 ILE HB . 30070 1 564 . 1 1 74 74 ILE HG12 H 1 0.925 0.019 . 2 . 988 . A 53 ILE HG12 . 30070 1 565 . 1 1 74 74 ILE HG13 H 1 1.284 0.003 . 2 . 1508 . A 53 ILE HG13 . 30070 1 566 . 1 1 74 74 ILE HG21 H 1 0.413 0.015 . 1 . 1509 . A 53 ILE HG21 . 30070 1 567 . 1 1 74 74 ILE HG22 H 1 0.413 0.015 . 1 . 1509 . A 53 ILE HG22 . 30070 1 568 . 1 1 74 74 ILE HG23 H 1 0.413 0.015 . 1 . 1509 . A 53 ILE HG23 . 30070 1 569 . 1 1 74 74 ILE HD11 H 1 0.133 0.036 . 1 . 1510 . A 53 ILE HD11 . 30070 1 570 . 1 1 74 74 ILE HD12 H 1 0.133 0.036 . 1 . 1510 . A 53 ILE HD12 . 30070 1 571 . 1 1 74 74 ILE HD13 H 1 0.133 0.036 . 1 . 1510 . A 53 ILE HD13 . 30070 1 572 . 1 1 74 74 ILE C C 13 173.050 0.028 . 1 . 246 . A 53 ILE C . 30070 1 573 . 1 1 74 74 ILE CA C 13 57.457 0.007 . 1 . 247 . A 53 ILE CA . 30070 1 574 . 1 1 74 74 ILE CB C 13 36.810 0.0 . 1 . 1413 . A 53 ILE CB . 30070 1 575 . 1 1 74 74 ILE CG1 C 13 26.403 0.0 . 1 . 1414 . A 53 ILE CG1 . 30070 1 576 . 1 1 74 74 ILE CG2 C 13 18.813 0.0 . 1 . 1416 . A 53 ILE CG2 . 30070 1 577 . 1 1 74 74 ILE CD1 C 13 14.481 . . 1 . 1415 . A 53 ILE CD1 . 30070 1 578 . 1 1 74 74 ILE N N 15 127.703 0.014 . 1 . 9 . A 53 ILE N . 30070 1 579 . 1 1 75 75 THR H H 1 8.669 0.008 . 1 . 244 . A 54 THR H . 30070 1 580 . 1 1 75 75 THR HA H 1 5.337 0.014 . 1 . 989 . A 54 THR HA . 30070 1 581 . 1 1 75 75 THR HB H 1 4.256 0.012 . 1 . 990 . A 54 THR HB . 30070 1 582 . 1 1 75 75 THR HG1 H 1 6.846 0.011 . 1 . 1512 . A 54 THR HG1 . 30070 1 583 . 1 1 75 75 THR HG21 H 1 1.125 0.003 . 1 . 1511 . A 54 THR HG21 . 30070 1 584 . 1 1 75 75 THR HG22 H 1 1.125 0.003 . 1 . 1511 . A 54 THR HG22 . 30070 1 585 . 1 1 75 75 THR HG23 H 1 1.125 0.003 . 1 . 1511 . A 54 THR HG23 . 30070 1 586 . 1 1 75 75 THR C C 13 170.525 0.026 . 1 . 169 . A 54 THR C . 30070 1 587 . 1 1 75 75 THR CA C 13 57.710 0.029 . 1 . 171 . A 54 THR CA . 30070 1 588 . 1 1 75 75 THR CB C 13 68.582 0.004 . 1 . 173 . A 54 THR CB . 30070 1 589 . 1 1 75 75 THR CG2 C 13 18.561 . . 1 . 172 . A 54 THR CG2 . 30070 1 590 . 1 1 75 75 THR N N 15 118.143 0.012 . 1 . 245 . A 54 THR N . 30070 1 591 . 1 1 76 76 VAL H H 1 8.809 0.009 . 1 . 167 . A 55 VAL H . 30070 1 592 . 1 1 76 76 VAL CA C 13 56.030 . . 1 . 170 . A 55 VAL CA . 30070 1 593 . 1 1 76 76 VAL CB C 13 36.085 . . 1 . 1417 . A 55 VAL CB . 30070 1 594 . 1 1 76 76 VAL CG1 C 13 21.639 . . 2 . 1418 . A 55 VAL CG1 . 30070 1 595 . 1 1 76 76 VAL CG2 C 13 20.941 . . 2 . 1419 . A 55 VAL CG2 . 30070 1 596 . 1 1 76 76 VAL N N 15 122.611 0.021 . 1 . 168 . A 55 VAL N . 30070 1 597 . 1 1 78 78 GLY H H 1 8.904 0.016 . 1 . 500 . A 57 GLY H . 30070 1 598 . 1 1 78 78 GLY HA2 H 1 4.449 0.013 . 2 . 991 . A 57 GLY HA2 . 30070 1 599 . 1 1 78 78 GLY HA3 H 1 3.754 0.012 . 2 . 992 . A 57 GLY HA3 . 30070 1 600 . 1 1 78 78 GLY C C 13 171.224 0.012 . 1 . 270 . A 57 GLY C . 30070 1 601 . 1 1 78 78 GLY CA C 13 41.127 0.027 . 1 . 271 . A 57 GLY CA . 30070 1 602 . 1 1 78 78 GLY N N 15 108.593 0.038 . 1 . 501 . A 57 GLY N . 30070 1 603 . 1 1 79 79 ASN H H 1 8.390 0.006 . 1 . 268 . A 58 ASN H . 30070 1 604 . 1 1 79 79 ASN HA H 1 4.793 0.013 . 1 . 993 . A 58 ASN HA . 30070 1 605 . 1 1 79 79 ASN HB2 H 1 2.778 0.015 . 2 . 994 . A 58 ASN HB2 . 30070 1 606 . 1 1 79 79 ASN HB3 H 1 2.835 0.015 . 2 . 995 . A 58 ASN HB3 . 30070 1 607 . 1 1 79 79 ASN HD21 H 1 7.162 0.015 . 1 . 1513 . A 58 ASN HD21 . 30070 1 608 . 1 1 79 79 ASN HD22 H 1 7.454 . . 1 . 1514 . A 58 ASN HD22 . 30070 1 609 . 1 1 79 79 ASN C C 13 172.775 0.009 . 1 . 211 . A 58 ASN C . 30070 1 610 . 1 1 79 79 ASN CA C 13 50.434 0.01 . 1 . 212 . A 58 ASN CA . 30070 1 611 . 1 1 79 79 ASN CB C 13 36.342 0.0 . 1 . 213 . A 58 ASN CB . 30070 1 612 . 1 1 79 79 ASN N N 15 118.382 0.012 . 1 . 269 . A 58 ASN N . 30070 1 613 . 1 1 80 80 ASP H H 1 8.612 0.02 . 1 . 209 . A 59 ASP H . 30070 1 614 . 1 1 80 80 ASP HA H 1 4.589 0.01 . 1 . 996 . A 59 ASP HA . 30070 1 615 . 1 1 80 80 ASP HB2 H 1 2.736 0.019 . 2 . 997 . A 59 ASP HB2 . 30070 1 616 . 1 1 80 80 ASP HB3 H 1 2.656 0.005 . 2 . 998 . A 59 ASP HB3 . 30070 1 617 . 1 1 80 80 ASP C C 13 174.146 0.004 . 1 . 483 . A 59 ASP C . 30070 1 618 . 1 1 80 80 ASP CA C 13 51.522 0.018 . 1 . 484 . A 59 ASP CA . 30070 1 619 . 1 1 80 80 ASP CB C 13 38.304 0.027 . 1 . 593 . A 59 ASP CB . 30070 1 620 . 1 1 80 80 ASP N N 15 121.080 0.024 . 1 . 210 . A 59 ASP N . 30070 1 621 . 1 1 81 81 GLY H H 1 8.454 0.007 . 1 . 481 . A 60 GLY H . 30070 1 622 . 1 1 81 81 GLY HA2 H 1 3.895 0.022 . 2 . 999 . A 60 GLY HA2 . 30070 1 623 . 1 1 81 81 GLY HA3 H 1 3.916 0.021 . 2 . 1000 . A 60 GLY HA3 . 30070 1 624 . 1 1 81 81 GLY C C 13 171.897 0.011 . 1 . 406 . A 60 GLY C . 30070 1 625 . 1 1 81 81 GLY CA C 13 42.840 0.003 . 1 . 407 . A 60 GLY CA . 30070 1 626 . 1 1 81 81 GLY N N 15 109.667 0.012 . 1 . 482 . A 60 GLY N . 30070 1 627 . 1 1 82 82 SER H H 1 8.269 0.012 . 1 . 404 . A 61 SER H . 30070 1 628 . 1 1 82 82 SER HA H 1 4.371 0.009 . 1 . 1001 . A 61 SER HA . 30070 1 629 . 1 1 82 82 SER HB2 H 1 3.854 0.017 . 2 . 1002 . A 61 SER HB2 . 30070 1 630 . 1 1 82 82 SER HB3 H 1 3.832 0.008 . 2 . 1044 . A 61 SER HB3 . 30070 1 631 . 1 1 82 82 SER HG H 1 5.053 0.003 . 1 . 1515 . A 61 SER HG . 30070 1 632 . 1 1 82 82 SER C C 13 172.155 0.013 . 1 . 192 . A 61 SER C . 30070 1 633 . 1 1 82 82 SER CA C 13 56.288 0.003 . 1 . 193 . A 61 SER CA . 30070 1 634 . 1 1 82 82 SER CB C 13 61.328 0.053 . 1 . 596 . A 61 SER CB . 30070 1 635 . 1 1 82 82 SER N N 15 115.908 0.015 . 1 . 405 . A 61 SER N . 30070 1 636 . 1 1 83 83 GLU H H 1 8.537 0.012 . 1 . 190 . A 62 GLU H . 30070 1 637 . 1 1 83 83 GLU HA H 1 4.333 0.01 . 1 . 1003 . A 62 GLU HA . 30070 1 638 . 1 1 83 83 GLU HB2 H 1 2.011 0.022 . 2 . 1004 . A 62 GLU HB2 . 30070 1 639 . 1 1 83 83 GLU HB3 H 1 1.948 0.025 . 2 . 1005 . A 62 GLU HB3 . 30070 1 640 . 1 1 83 83 GLU HG2 H 1 2.261 0.009 . 2 . 1006 . A 62 GLU HG2 . 30070 1 641 . 1 1 83 83 GLU HG3 H 1 2.271 0.006 . 2 . 1007 . A 62 GLU HG3 . 30070 1 642 . 1 1 83 83 GLU C C 13 173.972 0.007 . 1 . 411 . A 62 GLU C . 30070 1 643 . 1 1 83 83 GLU CA C 13 54.120 0.008 . 1 . 412 . A 62 GLU CA . 30070 1 644 . 1 1 83 83 GLU CB C 13 26.958 0.033 . 1 . 590 . A 62 GLU CB . 30070 1 645 . 1 1 83 83 GLU CG C 13 33.059 0.002 . 1 . 413 . A 62 GLU CG . 30070 1 646 . 1 1 83 83 GLU N N 15 122.387 0.009 . 1 . 191 . A 62 GLU N . 30070 1 647 . 1 1 84 84 THR H H 1 8.094 0.01 . 1 . 409 . A 63 THR H . 30070 1 648 . 1 1 84 84 THR HA H 1 4.164 0.007 . 1 . 1008 . A 63 THR HA . 30070 1 649 . 1 1 84 84 THR HB H 1 4.054 0.022 . 1 . 1009 . A 63 THR HB . 30070 1 650 . 1 1 84 84 THR HG1 H 1 5.001 0.033 . 1 . 1516 . A 63 THR HG1 . 30070 1 651 . 1 1 84 84 THR HG21 H 1 1.130 0.007 . 1 . 1517 . A 63 THR HG21 . 30070 1 652 . 1 1 84 84 THR HG22 H 1 1.130 0.007 . 1 . 1517 . A 63 THR HG22 . 30070 1 653 . 1 1 84 84 THR HG23 H 1 1.130 0.007 . 1 . 1517 . A 63 THR HG23 . 30070 1 654 . 1 1 84 84 THR C C 13 171.547 0.011 . 1 . 198 . A 63 THR C . 30070 1 655 . 1 1 84 84 THR CA C 13 59.407 0.017 . 1 . 199 . A 63 THR CA . 30070 1 656 . 1 1 84 84 THR CB C 13 67.096 0.046 . 1 . 597 . A 63 THR CB . 30070 1 657 . 1 1 84 84 THR CG2 C 13 24.276 . . 1 . 1420 . A 63 THR CG2 . 30070 1 658 . 1 1 84 84 THR N N 15 114.641 0.013 . 1 . 410 . A 63 THR N . 30070 1 659 . 1 1 85 85 ASN H H 1 8.410 0.004 . 1 . 196 . A 64 ASN H . 30070 1 660 . 1 1 85 85 ASN HA H 1 4.646 0.014 . 1 . 1010 . A 64 ASN HA . 30070 1 661 . 1 1 85 85 ASN HB2 H 1 2.746 0.039 . 2 . 1011 . A 64 ASN HB2 . 30070 1 662 . 1 1 85 85 ASN HB3 H 1 2.763 0.013 . 2 . 1012 . A 64 ASN HB3 . 30070 1 663 . 1 1 85 85 ASN HD21 H 1 7.787 . . 1 . 1518 . A 64 ASN HD21 . 30070 1 664 . 1 1 85 85 ASN HD22 H 1 7.442 0.012 . 1 . 1519 . A 64 ASN HD22 . 30070 1 665 . 1 1 85 85 ASN C C 13 172.388 0.015 . 1 . 134 . A 64 ASN C . 30070 1 666 . 1 1 85 85 ASN CA C 13 50.514 0.032 . 1 . 135 . A 64 ASN CA . 30070 1 667 . 1 1 85 85 ASN CB C 13 35.972 0.061 . 1 . 592 . A 64 ASN CB . 30070 1 668 . 1 1 85 85 ASN N N 15 121.167 0.005 . 1 . 197 . A 64 ASN N . 30070 1 669 . 1 1 86 86 LEU H H 1 8.208 0.009 . 1 . 132 . A 65 LEU H . 30070 1 670 . 1 1 86 86 LEU HA H 1 4.246 0.013 . 1 . 1013 . A 65 LEU HA . 30070 1 671 . 1 1 86 86 LEU HB2 H 1 1.509 0.021 . 2 . 1014 . A 65 LEU HB2 . 30070 1 672 . 1 1 86 86 LEU HB3 H 1 1.535 0.025 . 2 . 1015 . A 65 LEU HB3 . 30070 1 673 . 1 1 86 86 LEU HG H 1 1.076 0.007 . 1 . 1522 . A 65 LEU HG . 30070 1 674 . 1 1 86 86 LEU HD11 H 1 0.461 0.014 . 1 . 1520 . A 65 LEU HD11 . 30070 1 675 . 1 1 86 86 LEU HD12 H 1 0.461 0.014 . 1 . 1520 . A 65 LEU HD12 . 30070 1 676 . 1 1 86 86 LEU HD13 H 1 0.461 0.014 . 1 . 1520 . A 65 LEU HD13 . 30070 1 677 . 1 1 86 86 LEU C C 13 175.117 0.019 . 1 . 489 . A 65 LEU C . 30070 1 678 . 1 1 86 86 LEU CA C 13 52.721 0.028 . 1 . 490 . A 65 LEU CA . 30070 1 679 . 1 1 86 86 LEU CB C 13 39.423 0.066 . 1 . 589 . A 65 LEU CB . 30070 1 680 . 1 1 86 86 LEU CG C 13 26.212 . . 1 . 1421 . A 65 LEU CG . 30070 1 681 . 1 1 86 86 LEU CD1 C 13 20.360 0.004 . 2 . 1423 . A 65 LEU CD1 . 30070 1 682 . 1 1 86 86 LEU CD2 C 13 24.797 . . 2 . 1422 . A 65 LEU CD2 . 30070 1 683 . 1 1 86 86 LEU N N 15 122.472 0.01 . 1 . 133 . A 65 LEU N . 30070 1 684 . 1 1 87 87 GLY H H 1 8.294 0.01 . 1 . 487 . A 66 GLY H . 30070 1 685 . 1 1 87 87 GLY HA2 H 1 3.833 0.009 . 2 . 1016 . A 66 GLY HA2 . 30070 1 686 . 1 1 87 87 GLY HA3 H 1 3.841 0.014 . 2 . 1017 . A 66 GLY HA3 . 30070 1 687 . 1 1 87 87 GLY C C 13 171.076 0.004 . 1 . 334 . A 66 GLY C . 30070 1 688 . 1 1 87 87 GLY CA C 13 42.575 0.008 . 1 . 335 . A 66 GLY CA . 30070 1 689 . 1 1 87 87 GLY N N 15 108.974 0.007 . 1 . 488 . A 66 GLY N . 30070 1 690 . 1 1 88 88 VAL H H 1 7.779 0.016 . 1 . 332 . A 67 VAL H . 30070 1 691 . 1 1 88 88 VAL HA H 1 4.028 0.007 . 1 . 1018 . A 67 VAL HA . 30070 1 692 . 1 1 88 88 VAL HB H 1 1.972 0.03 . 1 . 1019 . A 67 VAL HB . 30070 1 693 . 1 1 88 88 VAL HG11 H 1 0.824 0.015 . 1 . 1021 . A 67 VAL HG11 . 30070 1 694 . 1 1 88 88 VAL HG12 H 1 0.824 0.015 . 1 . 1021 . A 67 VAL HG12 . 30070 1 695 . 1 1 88 88 VAL HG13 H 1 0.824 0.015 . 1 . 1021 . A 67 VAL HG13 . 30070 1 696 . 1 1 88 88 VAL C C 13 173.323 0.012 . 1 . 89 . A 67 VAL C . 30070 1 697 . 1 1 88 88 VAL CA C 13 59.553 0.004 . 1 . 90 . A 67 VAL CA . 30070 1 698 . 1 1 88 88 VAL CB C 13 30.013 0.011 . 1 . 595 . A 67 VAL CB . 30070 1 699 . 1 1 88 88 VAL CG1 C 13 18.126 0.005 . 2 . 91 . A 67 VAL CG1 . 30070 1 700 . 1 1 88 88 VAL CG2 C 13 21.387 . . 2 . 1424 . A 67 VAL CG2 . 30070 1 701 . 1 1 88 88 VAL N N 15 119.298 0.007 . 1 . 333 . A 67 VAL N . 30070 1 702 . 1 1 89 89 ILE H H 1 8.236 0.008 . 1 . 87 . A 68 ILE H . 30070 1 703 . 1 1 89 89 ILE HA H 1 4.198 0.016 . 1 . 1022 . A 68 ILE HA . 30070 1 704 . 1 1 89 89 ILE HB H 1 1.787 0.01 . 1 . 1023 . A 68 ILE HB . 30070 1 705 . 1 1 89 89 ILE HG12 H 1 1.424 0.012 . 2 . 1523 . A 68 ILE HG12 . 30070 1 706 . 1 1 89 89 ILE HG13 H 1 1.271 0.025 . 2 . 1524 . A 68 ILE HG13 . 30070 1 707 . 1 1 89 89 ILE HG21 H 1 0.766 0.031 . 1 . 1525 . A 68 ILE HG21 . 30070 1 708 . 1 1 89 89 ILE HG22 H 1 0.766 0.031 . 1 . 1525 . A 68 ILE HG22 . 30070 1 709 . 1 1 89 89 ILE HG23 H 1 0.766 0.031 . 1 . 1525 . A 68 ILE HG23 . 30070 1 710 . 1 1 89 89 ILE HD11 H 1 0.542 0.031 . 1 . 1526 . A 68 ILE HD11 . 30070 1 711 . 1 1 89 89 ILE HD12 H 1 0.542 0.031 . 1 . 1526 . A 68 ILE HD12 . 30070 1 712 . 1 1 89 89 ILE HD13 H 1 0.542 0.031 . 1 . 1526 . A 68 ILE HD13 . 30070 1 713 . 1 1 89 89 ILE C C 13 173.628 0.01 . 1 . 300 . A 68 ILE C . 30070 1 714 . 1 1 89 89 ILE CA C 13 58.219 0.005 . 1 . 301 . A 68 ILE CA . 30070 1 715 . 1 1 89 89 ILE CB C 13 35.737 0.048 . 1 . 587 . A 68 ILE CB . 30070 1 716 . 1 1 89 89 ILE CG1 C 13 26.272 . . 1 . 1425 . A 68 ILE CG1 . 30070 1 717 . 1 1 89 89 ILE CG2 C 13 18.136 . . 1 . 1426 . A 68 ILE CG2 . 30070 1 718 . 1 1 89 89 ILE CD1 C 13 12.401 . . 1 . 1427 . A 68 ILE CD1 . 30070 1 719 . 1 1 89 89 ILE N N 15 125.461 0.016 . 1 . 88 . A 68 ILE N . 30070 1 720 . 1 1 90 90 THR H H 1 8.214 0.005 . 1 . 298 . A 69 THR H . 30070 1 721 . 1 1 90 90 THR HA H 1 4.304 0.017 . 1 . 1024 . A 69 THR HA . 30070 1 722 . 1 1 90 90 THR HB H 1 4.148 0.004 . 1 . 1025 . A 69 THR HB . 30070 1 723 . 1 1 90 90 THR HG1 H 1 3.803 0.032 . 1 . 1527 . A 69 THR HG1 . 30070 1 724 . 1 1 90 90 THR HG21 H 1 1.140 0.02 . 1 . 1026 . A 69 THR HG21 . 30070 1 725 . 1 1 90 90 THR HG22 H 1 1.140 0.02 . 1 . 1026 . A 69 THR HG22 . 30070 1 726 . 1 1 90 90 THR HG23 H 1 1.140 0.02 . 1 . 1026 . A 69 THR HG23 . 30070 1 727 . 1 1 90 90 THR C C 13 170.673 0.003 . 1 . 66 . A 69 THR C . 30070 1 728 . 1 1 90 90 THR CA C 13 58.756 0.003 . 1 . 68 . A 69 THR CA . 30070 1 729 . 1 1 90 90 THR CB C 13 67.290 0.016 . 1 . 594 . A 69 THR CB . 30070 1 730 . 1 1 90 90 THR CG2 C 13 18.718 0.001 . 1 . 69 . A 69 THR CG2 . 30070 1 731 . 1 1 90 90 THR N N 15 119.054 0.013 . 1 . 299 . A 69 THR N . 30070 1 732 . 1 1 91 91 ASN H H 1 8.012 0.012 . 1 . 64 . A 70 ASN H . 30070 1 733 . 1 1 91 91 ASN C C 13 176.641 . . 1 . 749 . A 70 ASN C . 30070 1 734 . 1 1 91 91 ASN CA C 13 52.129 . . 1 . 643 . A 70 ASN CA . 30070 1 735 . 1 1 91 91 ASN CB C 13 37.667 . . 1 . 586 . A 70 ASN CB . 30070 1 736 . 1 1 91 91 ASN N N 15 126.566 0.012 . 1 . 65 . A 70 ASN N . 30070 1 stop_ save_