data_18189 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18189 _Entry.Title ; DocA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-09 _Entry.Accession_date 2012-01-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yingang Feng . . . 18189 2 Zhenling Cui . . . 18189 3 Yifei Li . . . 18189 4 Qiu Cui . . . 18189 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18189 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 18189 '15N chemical shifts' 76 18189 '1H chemical shifts' 443 18189 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 . . 2013-03-25 2012-01-09 update BMRB 'update entry citation' 18189 1 . . 2012-03-27 2012-01-09 original author 'original release' 18189 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18189 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22446850 _Citation.Full_citation . _Citation.Title 'Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 76 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Zhenling Cui . . . 18189 1 2 Yifei Li . . . 18189 1 3 Yan Xiao . . . 18189 1 4 Yingang Feng . . . 18189 1 5 Qui Cui . . . 18189 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18189 _Assembly.ID 1 _Assembly.Name DocA _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 DocA 1 $DocA A . yes native no no . . . 18189 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DocA _Entity.Sf_category entity _Entity.Sf_framecode DocA _Entity.Entry_ID 18189 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DocA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSASNTILGDLNDDGVVNGR DIVMMRQYLAGKTVSGIDKN ALDINGDGAVNGRDLMELIK KVSNNTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no GB AAK78893 . "and cellulose-binding endoglucanase family 9; CelL ortholog; dockerin domain [Clostridium acetobutylicum ATCC 824]" . . . . . 92.54 537 98.39 100.00 3.32e-31 . . . . 18189 1 2 no GB ADZ19968 . "and cellulose-binding endoglucanase family 9 [Clostridium acetobutylicum EA 2018]" . . . . . 92.54 537 98.39 100.00 3.32e-31 . . . . 18189 1 3 no GB AEI31499 . "glycoside hydorlase [Clostridium acetobutylicum DSM 1731]" . . . . . 92.54 537 98.39 100.00 3.32e-31 . . . . 18189 1 4 no GB KHD35937 . "glycoside hydrolase [Clostridium acetobutylicum]" . . . . . 92.54 537 98.39 100.00 3.71e-31 . . . . 18189 1 5 no REF NP_347553 . "glycoside hydorlase [Clostridium acetobutylicum ATCC 824]" . . . . . 92.54 537 98.39 100.00 3.32e-31 . . . . 18189 1 6 no REF WP_010964235 . "glycoside hydrolase [Clostridium acetobutylicum]" . . . . . 92.54 537 98.39 100.00 3.32e-31 . . . . 18189 1 7 no REF WP_034584222 . "glycoside hydrolase [Clostridium acetobutylicum]" . . . . . 92.54 537 98.39 100.00 3.71e-31 . . . . 18189 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 -3 GLY . 18189 1 2 -2 SER . 18189 1 3 -1 ALA . 18189 1 4 0 SER . 18189 1 5 1 ASN . 18189 1 6 2 THR . 18189 1 7 3 ILE . 18189 1 8 4 LEU . 18189 1 9 5 GLY . 18189 1 10 6 ASP . 18189 1 11 7 LEU . 18189 1 12 8 ASN . 18189 1 13 9 ASP . 18189 1 14 10 ASP . 18189 1 15 11 GLY . 18189 1 16 12 VAL . 18189 1 17 13 VAL . 18189 1 18 14 ASN . 18189 1 19 15 GLY . 18189 1 20 16 ARG . 18189 1 21 17 ASP . 18189 1 22 18 ILE . 18189 1 23 19 VAL . 18189 1 24 20 MET . 18189 1 25 21 MET . 18189 1 26 22 ARG . 18189 1 27 23 GLN . 18189 1 28 24 TYR . 18189 1 29 25 LEU . 18189 1 30 26 ALA . 18189 1 31 27 GLY . 18189 1 32 28 LYS . 18189 1 33 29 THR . 18189 1 34 30 VAL . 18189 1 35 31 SER . 18189 1 36 32 GLY . 18189 1 37 33 ILE . 18189 1 38 34 ASP . 18189 1 39 35 LYS . 18189 1 40 36 ASN . 18189 1 41 37 ALA . 18189 1 42 38 LEU . 18189 1 43 39 ASP . 18189 1 44 40 ILE . 18189 1 45 41 ASN . 18189 1 46 42 GLY . 18189 1 47 43 ASP . 18189 1 48 44 GLY . 18189 1 49 45 ALA . 18189 1 50 46 VAL . 18189 1 51 47 ASN . 18189 1 52 48 GLY . 18189 1 53 49 ARG . 18189 1 54 50 ASP . 18189 1 55 51 LEU . 18189 1 56 52 MET . 18189 1 57 53 GLU . 18189 1 58 54 LEU . 18189 1 59 55 ILE . 18189 1 60 56 LYS . 18189 1 61 57 LYS . 18189 1 62 58 VAL . 18189 1 63 59 SER . 18189 1 64 60 ASN . 18189 1 65 61 ASN . 18189 1 66 62 THR . 18189 1 67 63 SER . 18189 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 18189 1 . SER 2 2 18189 1 . ALA 3 3 18189 1 . SER 4 4 18189 1 . ASN 5 5 18189 1 . THR 6 6 18189 1 . ILE 7 7 18189 1 . LEU 8 8 18189 1 . GLY 9 9 18189 1 . ASP 10 10 18189 1 . LEU 11 11 18189 1 . ASN 12 12 18189 1 . ASP 13 13 18189 1 . ASP 14 14 18189 1 . GLY 15 15 18189 1 . VAL 16 16 18189 1 . VAL 17 17 18189 1 . ASN 18 18 18189 1 . GLY 19 19 18189 1 . ARG 20 20 18189 1 . ASP 21 21 18189 1 . ILE 22 22 18189 1 . VAL 23 23 18189 1 . MET 24 24 18189 1 . MET 25 25 18189 1 . ARG 26 26 18189 1 . GLN 27 27 18189 1 . TYR 28 28 18189 1 . LEU 29 29 18189 1 . ALA 30 30 18189 1 . GLY 31 31 18189 1 . LYS 32 32 18189 1 . THR 33 33 18189 1 . VAL 34 34 18189 1 . SER 35 35 18189 1 . GLY 36 36 18189 1 . ILE 37 37 18189 1 . ASP 38 38 18189 1 . LYS 39 39 18189 1 . ASN 40 40 18189 1 . ALA 41 41 18189 1 . LEU 42 42 18189 1 . ASP 43 43 18189 1 . ILE 44 44 18189 1 . ASN 45 45 18189 1 . GLY 46 46 18189 1 . ASP 47 47 18189 1 . GLY 48 48 18189 1 . ALA 49 49 18189 1 . VAL 50 50 18189 1 . ASN 51 51 18189 1 . GLY 52 52 18189 1 . ARG 53 53 18189 1 . ASP 54 54 18189 1 . LEU 55 55 18189 1 . MET 56 56 18189 1 . GLU 57 57 18189 1 . LEU 58 58 18189 1 . ILE 59 59 18189 1 . LYS 60 60 18189 1 . LYS 61 61 18189 1 . VAL 62 62 18189 1 . SER 63 63 18189 1 . ASN 64 64 18189 1 . ASN 65 65 18189 1 . THR 66 66 18189 1 . SER 67 67 18189 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 18189 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DocA . 1488 organism . 'Clostridium acetobutylicum' 'Clostridium acetobutylicum' . . Bacteria . Clostridium acetobutylicum ATCC824 . . . . . . . . . . . . . . . . . . . . 18189 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 18189 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DocA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28aNS . . . . . . 18189 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18189 _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 DocA '[U-100% 13C; U-100% 15N]' . . 1 $DocA . . 0.6 . . mM . . . . 18189 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 18189 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18189 1 4 'calcium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 18189 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . '% w/v' . . . . 18189 1 6 DSS 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 18189 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 18189 _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' 121 . mM 18189 1 pH 4.8 . pH 18189 1 pressure 1 . atm 18189 1 temperature 298 . K 18189 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18189 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18189 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18189 1 'peak picking' 18189 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18189 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18189 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18189 2 processing 18189 2 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 18189 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 18189 _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 DMX . 600 . . . 18189 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 18189 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 7 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 9 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 10 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18189 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18189 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18189 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18189 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18189 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18189 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 18189 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18189 1 3 '3D HNCACB' . . . 18189 1 4 '3D CBCA(CO)NH' . . . 18189 1 7 '3D HCCH-TOCSY' . . . 18189 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9070 0.02 . 2 . . . . -3 GLY HA1 . 18189 1 2 . 1 1 1 1 GLY HA3 H 1 3.9070 0.02 . 2 . . . . -3 GLY HA2 . 18189 1 3 . 1 1 1 1 GLY C C 13 170.3630 0.3 . 1 . . . . -3 GLY C . 18189 1 4 . 1 1 1 1 GLY CA C 13 43.4160 0.3 . 1 . . . . -3 GLY CA . 18189 1 5 . 1 1 2 2 SER H H 1 8.6920 0.02 . 1 . . . . -2 SER HN . 18189 1 6 . 1 1 2 2 SER HA H 1 4.4970 0.02 . 1 . . . . -2 SER HA . 18189 1 7 . 1 1 2 2 SER HB2 H 1 3.8880 0.02 . 2 . . . . -2 SER HB1 . 18189 1 8 . 1 1 2 2 SER HB3 H 1 3.8880 0.02 . 2 . . . . -2 SER HB2 . 18189 1 9 . 1 1 2 2 SER C C 13 174.4230 0.3 . 1 . . . . -2 SER C . 18189 1 10 . 1 1 2 2 SER CA C 13 58.4450 0.3 . 1 . . . . -2 SER CA . 18189 1 11 . 1 1 2 2 SER CB C 13 64.0390 0.3 . 1 . . . . -2 SER CB . 18189 1 12 . 1 1 2 2 SER N N 15 116.5930 0.2 . 1 . . . . -2 SER N . 18189 1 13 . 1 1 3 3 ALA H H 1 8.5640 0.02 . 1 . . . . -1 ALA HN . 18189 1 14 . 1 1 3 3 ALA HA H 1 4.3850 0.02 . 1 . . . . -1 ALA HA . 18189 1 15 . 1 1 3 3 ALA HB1 H 1 1.4000 0.02 . 1 . . . . -1 ALA HB1 . 18189 1 16 . 1 1 3 3 ALA HB2 H 1 1.4000 0.02 . 1 . . . . -1 ALA HB1 . 18189 1 17 . 1 1 3 3 ALA HB3 H 1 1.4000 0.02 . 1 . . . . -1 ALA HB1 . 18189 1 18 . 1 1 3 3 ALA C C 13 177.8870 0.3 . 1 . . . . -1 ALA C . 18189 1 19 . 1 1 3 3 ALA CA C 13 52.6600 0.3 . 1 . . . . -1 ALA CA . 18189 1 20 . 1 1 3 3 ALA CB C 13 19.2630 0.3 . 1 . . . . -1 ALA CB . 18189 1 21 . 1 1 3 3 ALA N N 15 126.9790 0.2 . 1 . . . . -1 ALA N . 18189 1 22 . 1 1 4 4 SER H H 1 8.3020 0.02 . 1 . . . . 0 SER HN . 18189 1 23 . 1 1 4 4 SER HA H 1 4.4130 0.02 . 1 . . . . 0 SER HA . 18189 1 24 . 1 1 4 4 SER HB2 H 1 3.8420 0.02 . 2 . . . . 0 SER HB2 . 18189 1 25 . 1 1 4 4 SER C C 13 174.2940 0.3 . 1 . . . . 0 SER C . 18189 1 26 . 1 1 4 4 SER CA C 13 58.4900 0.3 . 1 . . . . 0 SER CA . 18189 1 27 . 1 1 4 4 SER CB C 13 63.8630 0.3 . 1 . . . . 0 SER CB . 18189 1 28 . 1 1 4 4 SER N N 15 115.6200 0.2 . 1 . . . . 0 SER N . 18189 1 29 . 1 1 5 5 ASN H H 1 8.4190 0.02 . 1 . . . . 1 ASN HN . 18189 1 30 . 1 1 5 5 ASN HA H 1 4.7660 0.02 . 1 . . . . 1 ASN HA . 18189 1 31 . 1 1 5 5 ASN HB2 H 1 2.7120 0.02 . 2 . . . . 1 ASN HB1 . 18189 1 32 . 1 1 5 5 ASN HB3 H 1 2.7960 0.02 . 2 . . . . 1 ASN HB2 . 18189 1 33 . 1 1 5 5 ASN HD21 H 1 7.6030 0.02 . 2 . . . . 1 ASN HD21 . 18189 1 34 . 1 1 5 5 ASN HD22 H 1 6.8870 0.02 . 2 . . . . 1 ASN HD22 . 18189 1 35 . 1 1 5 5 ASN C C 13 174.7490 0.3 . 1 . . . . 1 ASN C . 18189 1 36 . 1 1 5 5 ASN CA C 13 53.0710 0.3 . 1 . . . . 1 ASN CA . 18189 1 37 . 1 1 5 5 ASN CB C 13 39.0650 0.3 . 1 . . . . 1 ASN CB . 18189 1 38 . 1 1 5 5 ASN N N 15 121.4190 0.2 . 1 . . . . 1 ASN N . 18189 1 39 . 1 1 5 5 ASN ND2 N 15 113.7000 0.2 . 1 . . . . 1 ASN ND2 . 18189 1 40 . 1 1 6 6 THR H H 1 8.0780 0.02 . 1 . . . . 2 THR HN . 18189 1 41 . 1 1 6 6 THR HA H 1 4.1310 0.02 . 1 . . . . 2 THR HA . 18189 1 42 . 1 1 6 6 THR HB H 1 3.8210 0.02 . 1 . . . . 2 THR HB . 18189 1 43 . 1 1 6 6 THR HG21 H 1 0.9490 0.02 . 1 . . . . 2 THR HG21 . 18189 1 44 . 1 1 6 6 THR HG22 H 1 0.9490 0.02 . 1 . . . . 2 THR HG21 . 18189 1 45 . 1 1 6 6 THR HG23 H 1 0.9490 0.02 . 1 . . . . 2 THR HG21 . 18189 1 46 . 1 1 6 6 THR C C 13 174.0540 0.3 . 1 . . . . 2 THR C . 18189 1 47 . 1 1 6 6 THR CA C 13 63.2730 0.3 . 1 . . . . 2 THR CA . 18189 1 48 . 1 1 6 6 THR CB C 13 70.1870 0.3 . 1 . . . . 2 THR CB . 18189 1 49 . 1 1 6 6 THR CG2 C 13 21.1530 0.3 . 1 . . . . 2 THR CG2 . 18189 1 50 . 1 1 6 6 THR N N 15 118.7170 0.2 . 1 . . . . 2 THR N . 18189 1 51 . 1 1 7 7 ILE H H 1 8.8050 0.02 . 1 . . . . 3 ILE HN . 18189 1 52 . 1 1 7 7 ILE HA H 1 4.0720 0.02 . 1 . . . . 3 ILE HA . 18189 1 53 . 1 1 7 7 ILE HB H 1 1.8370 0.02 . 1 . . . . 3 ILE HB . 18189 1 54 . 1 1 7 7 ILE HG12 H 1 0.9800 0.02 . 2 . . . . 3 ILE HG11 . 18189 1 55 . 1 1 7 7 ILE HG13 H 1 1.5560 0.02 . 2 . . . . 3 ILE HG12 . 18189 1 56 . 1 1 7 7 ILE HG21 H 1 0.7060 0.02 . 1 . . . . 3 ILE HG21 . 18189 1 57 . 1 1 7 7 ILE HG22 H 1 0.7060 0.02 . 1 . . . . 3 ILE HG21 . 18189 1 58 . 1 1 7 7 ILE HG23 H 1 0.7060 0.02 . 1 . . . . 3 ILE HG21 . 18189 1 59 . 1 1 7 7 ILE HD11 H 1 0.8070 0.02 . 1 . . . . 3 ILE HD11 . 18189 1 60 . 1 1 7 7 ILE HD12 H 1 0.8070 0.02 . 1 . . . . 3 ILE HD11 . 18189 1 61 . 1 1 7 7 ILE HD13 H 1 0.8070 0.02 . 1 . . . . 3 ILE HD11 . 18189 1 62 . 1 1 7 7 ILE C C 13 176.0750 0.3 . 1 . . . . 3 ILE C . 18189 1 63 . 1 1 7 7 ILE CA C 13 60.4300 0.3 . 1 . . . . 3 ILE CA . 18189 1 64 . 1 1 7 7 ILE CB C 13 39.0690 0.3 . 1 . . . . 3 ILE CB . 18189 1 65 . 1 1 7 7 ILE CG1 C 13 27.0630 0.3 . 1 . . . . 3 ILE CG1 . 18189 1 66 . 1 1 7 7 ILE CG2 C 13 16.9470 0.3 . 1 . . . . 3 ILE CG2 . 18189 1 67 . 1 1 7 7 ILE CD1 C 13 13.3830 0.3 . 1 . . . . 3 ILE CD1 . 18189 1 68 . 1 1 7 7 ILE N N 15 129.7310 0.2 . 1 . . . . 3 ILE N . 18189 1 69 . 1 1 8 8 LEU H H 1 8.5980 0.02 . 1 . . . . 4 LEU HN . 18189 1 70 . 1 1 8 8 LEU HA H 1 3.8490 0.02 . 1 . . . . 4 LEU HA . 18189 1 71 . 1 1 8 8 LEU HB2 H 1 1.1040 0.02 . 2 . . . . 4 LEU HB1 . 18189 1 72 . 1 1 8 8 LEU HB3 H 1 1.7670 0.02 . 2 . . . . 4 LEU HB2 . 18189 1 73 . 1 1 8 8 LEU HG H 1 1.6950 0.02 . 1 . . . . 4 LEU HG . 18189 1 74 . 1 1 8 8 LEU HD11 H 1 0.9540 0.02 . 2 . . . . 4 LEU HD11 . 18189 1 75 . 1 1 8 8 LEU HD12 H 1 0.9540 0.02 . 2 . . . . 4 LEU HD11 . 18189 1 76 . 1 1 8 8 LEU HD13 H 1 0.9540 0.02 . 2 . . . . 4 LEU HD11 . 18189 1 77 . 1 1 8 8 LEU HD21 H 1 0.7380 0.02 . 2 . . . . 4 LEU HD21 . 18189 1 78 . 1 1 8 8 LEU HD22 H 1 0.7380 0.02 . 2 . . . . 4 LEU HD21 . 18189 1 79 . 1 1 8 8 LEU HD23 H 1 0.7380 0.02 . 2 . . . . 4 LEU HD21 . 18189 1 80 . 1 1 8 8 LEU C C 13 177.3720 0.3 . 1 . . . . 4 LEU C . 18189 1 81 . 1 1 8 8 LEU CA C 13 56.8350 0.3 . 1 . . . . 4 LEU CA . 18189 1 82 . 1 1 8 8 LEU CB C 13 41.4260 0.3 . 1 . . . . 4 LEU CB . 18189 1 83 . 1 1 8 8 LEU CG C 13 26.7490 0.3 . 1 . . . . 4 LEU CG . 18189 1 84 . 1 1 8 8 LEU CD1 C 13 25.1000 0.3 . 2 . . . . 4 LEU CD1 . 18189 1 85 . 1 1 8 8 LEU CD2 C 13 22.6610 0.3 . 2 . . . . 4 LEU CD2 . 18189 1 86 . 1 1 8 8 LEU N N 15 128.8070 0.2 . 1 . . . . 4 LEU N . 18189 1 87 . 1 1 9 9 GLY H H 1 8.9340 0.02 . 1 . . . . 5 GLY HN . 18189 1 88 . 1 1 9 9 GLY HA2 H 1 3.2320 0.02 . 2 . . . . 5 GLY HA1 . 18189 1 89 . 1 1 9 9 GLY HA3 H 1 4.1420 0.02 . 2 . . . . 5 GLY HA2 . 18189 1 90 . 1 1 9 9 GLY C C 13 170.6080 0.3 . 1 . . . . 5 GLY C . 18189 1 91 . 1 1 9 9 GLY CA C 13 45.8550 0.3 . 1 . . . . 5 GLY CA . 18189 1 92 . 1 1 9 9 GLY N N 15 111.6720 0.2 . 1 . . . . 5 GLY N . 18189 1 93 . 1 1 10 10 ASP H H 1 7.9800 0.02 . 1 . . . . 6 ASP HN . 18189 1 94 . 1 1 10 10 ASP HA H 1 4.8890 0.02 . 1 . . . . 6 ASP HA . 18189 1 95 . 1 1 10 10 ASP HB2 H 1 1.8650 0.02 . 2 . . . . 6 ASP HB1 . 18189 1 96 . 1 1 10 10 ASP HB3 H 1 3.2220 0.02 . 2 . . . . 6 ASP HB2 . 18189 1 97 . 1 1 10 10 ASP C C 13 176.3880 0.3 . 1 . . . . 6 ASP C . 18189 1 98 . 1 1 10 10 ASP CA C 13 51.8620 0.3 . 1 . . . . 6 ASP CA . 18189 1 99 . 1 1 10 10 ASP CB C 13 38.8880 0.3 . 1 . . . . 6 ASP CB . 18189 1 100 . 1 1 10 10 ASP N N 15 118.2430 0.2 . 1 . . . . 6 ASP N . 18189 1 101 . 1 1 11 11 LEU H H 1 8.2690 0.02 . 1 . . . . 7 LEU HN . 18189 1 102 . 1 1 11 11 LEU HA H 1 3.8870 0.02 . 1 . . . . 7 LEU HA . 18189 1 103 . 1 1 11 11 LEU HB2 H 1 1.6650 0.02 . 2 . . . . 7 LEU HB1 . 18189 1 104 . 1 1 11 11 LEU HB3 H 1 1.7960 0.02 . 2 . . . . 7 LEU HB2 . 18189 1 105 . 1 1 11 11 LEU HG H 1 1.6520 0.02 . 1 . . . . 7 LEU HG . 18189 1 106 . 1 1 11 11 LEU HD11 H 1 0.9080 0.02 . 2 . . . . 7 LEU HD11 . 18189 1 107 . 1 1 11 11 LEU HD12 H 1 0.9080 0.02 . 2 . . . . 7 LEU HD11 . 18189 1 108 . 1 1 11 11 LEU HD13 H 1 0.9080 0.02 . 2 . . . . 7 LEU HD11 . 18189 1 109 . 1 1 11 11 LEU HD21 H 1 0.7550 0.02 . 2 . . . . 7 LEU HD21 . 18189 1 110 . 1 1 11 11 LEU HD22 H 1 0.7550 0.02 . 2 . . . . 7 LEU HD21 . 18189 1 111 . 1 1 11 11 LEU HD23 H 1 0.7550 0.02 . 2 . . . . 7 LEU HD21 . 18189 1 112 . 1 1 11 11 LEU C C 13 176.7170 0.3 . 1 . . . . 7 LEU C . 18189 1 113 . 1 1 11 11 LEU CA C 13 57.7640 0.3 . 1 . . . . 7 LEU CA . 18189 1 114 . 1 1 11 11 LEU CB C 13 42.4230 0.3 . 1 . . . . 7 LEU CB . 18189 1 115 . 1 1 11 11 LEU CG C 13 29.9420 0.3 . 1 . . . . 7 LEU CG . 18189 1 116 . 1 1 11 11 LEU CD1 C 13 25.5200 0.3 . 2 . . . . 7 LEU CD1 . 18189 1 117 . 1 1 11 11 LEU CD2 C 13 25.5200 0.3 . 2 . . . . 7 LEU CD2 . 18189 1 118 . 1 1 11 11 LEU N N 15 124.2160 0.2 . 1 . . . . 7 LEU N . 18189 1 119 . 1 1 12 12 ASN H H 1 7.7870 0.02 . 1 . . . . 8 ASN HN . 18189 1 120 . 1 1 12 12 ASN HA H 1 4.8730 0.02 . 1 . . . . 8 ASN HA . 18189 1 121 . 1 1 12 12 ASN HB2 H 1 2.6360 0.02 . 2 . . . . 8 ASN HB1 . 18189 1 122 . 1 1 12 12 ASN HB3 H 1 3.3050 0.02 . 2 . . . . 8 ASN HB2 . 18189 1 123 . 1 1 12 12 ASN HD21 H 1 8.0940 0.02 . 2 . . . . 8 ASN HD21 . 18189 1 124 . 1 1 12 12 ASN HD22 H 1 6.7750 0.02 . 2 . . . . 8 ASN HD22 . 18189 1 125 . 1 1 12 12 ASN C C 13 174.8440 0.3 . 1 . . . . 8 ASN C . 18189 1 126 . 1 1 12 12 ASN CA C 13 50.4160 0.3 . 1 . . . . 8 ASN CA . 18189 1 127 . 1 1 12 12 ASN CB C 13 37.2780 0.3 . 1 . . . . 8 ASN CB . 18189 1 128 . 1 1 12 12 ASN N N 15 111.4270 0.2 . 1 . . . . 8 ASN N . 18189 1 129 . 1 1 12 12 ASN ND2 N 15 112.8670 0.2 . 1 . . . . 8 ASN ND2 . 18189 1 130 . 1 1 13 13 ASP H H 1 7.4380 0.02 . 1 . . . . 9 ASP HN . 18189 1 131 . 1 1 13 13 ASP HA H 1 4.5450 0.02 . 1 . . . . 9 ASP HA . 18189 1 132 . 1 1 13 13 ASP HB2 H 1 2.7910 0.02 . 2 . . . . 9 ASP HB1 . 18189 1 133 . 1 1 13 13 ASP HB3 H 1 3.1380 0.02 . 2 . . . . 9 ASP HB2 . 18189 1 134 . 1 1 13 13 ASP C C 13 174.7260 0.3 . 1 . . . . 9 ASP C . 18189 1 135 . 1 1 13 13 ASP CA C 13 55.3990 0.3 . 1 . . . . 9 ASP CA . 18189 1 136 . 1 1 13 13 ASP CB C 13 38.0110 0.3 . 1 . . . . 9 ASP CB . 18189 1 137 . 1 1 13 13 ASP N N 15 115.0760 0.2 . 1 . . . . 9 ASP N . 18189 1 138 . 1 1 14 14 ASP H H 1 8.6800 0.02 . 1 . . . . 10 ASP HN . 18189 1 139 . 1 1 14 14 ASP HA H 1 4.7790 0.02 . 1 . . . . 10 ASP HA . 18189 1 140 . 1 1 14 14 ASP HB2 H 1 2.3560 0.02 . 2 . . . . 10 ASP HB1 . 18189 1 141 . 1 1 14 14 ASP HB3 H 1 3.0960 0.02 . 2 . . . . 10 ASP HB2 . 18189 1 142 . 1 1 14 14 ASP C C 13 178.1950 0.3 . 1 . . . . 10 ASP C . 18189 1 143 . 1 1 14 14 ASP CA C 13 53.0370 0.3 . 1 . . . . 10 ASP CA . 18189 1 144 . 1 1 14 14 ASP CB C 13 40.6760 0.3 . 1 . . . . 10 ASP CB . 18189 1 145 . 1 1 14 14 ASP N N 15 118.5060 0.2 . 1 . . . . 10 ASP N . 18189 1 146 . 1 1 15 15 GLY H H 1 10.4830 0.02 . 1 . . . . 11 GLY HN . 18189 1 147 . 1 1 15 15 GLY HA2 H 1 3.4510 0.02 . 2 . . . . 11 GLY HA1 . 18189 1 148 . 1 1 15 15 GLY HA3 H 1 4.1880 0.02 . 2 . . . . 11 GLY HA2 . 18189 1 149 . 1 1 15 15 GLY C C 13 173.4670 0.3 . 1 . . . . 11 GLY C . 18189 1 150 . 1 1 15 15 GLY CA C 13 45.4730 0.3 . 1 . . . . 11 GLY CA . 18189 1 151 . 1 1 15 15 GLY N N 15 113.4180 0.2 . 1 . . . . 11 GLY N . 18189 1 152 . 1 1 16 16 VAL H H 1 7.7160 0.02 . 1 . . . . 12 VAL HN . 18189 1 153 . 1 1 16 16 VAL HA H 1 4.5310 0.02 . 1 . . . . 12 VAL HA . 18189 1 154 . 1 1 16 16 VAL HB H 1 1.9420 0.02 . 1 . . . . 12 VAL HB . 18189 1 155 . 1 1 16 16 VAL HG11 H 1 0.7640 0.02 . 2 . . . . 12 VAL HG11 . 18189 1 156 . 1 1 16 16 VAL HG12 H 1 0.7640 0.02 . 2 . . . . 12 VAL HG11 . 18189 1 157 . 1 1 16 16 VAL HG13 H 1 0.7640 0.02 . 2 . . . . 12 VAL HG11 . 18189 1 158 . 1 1 16 16 VAL HG21 H 1 0.8320 0.02 . 2 . . . . 12 VAL HG21 . 18189 1 159 . 1 1 16 16 VAL HG22 H 1 0.8320 0.02 . 2 . . . . 12 VAL HG21 . 18189 1 160 . 1 1 16 16 VAL HG23 H 1 0.8320 0.02 . 2 . . . . 12 VAL HG21 . 18189 1 161 . 1 1 16 16 VAL C C 13 173.9330 0.3 . 1 . . . . 12 VAL C . 18189 1 162 . 1 1 16 16 VAL CA C 13 59.3010 0.3 . 1 . . . . 12 VAL CA . 18189 1 163 . 1 1 16 16 VAL CB C 13 35.9090 0.3 . 1 . . . . 12 VAL CB . 18189 1 164 . 1 1 16 16 VAL CG1 C 13 20.6090 0.3 . 2 . . . . 12 VAL CG1 . 18189 1 165 . 1 1 16 16 VAL CG2 C 13 21.5250 0.3 . 2 . . . . 12 VAL CG2 . 18189 1 166 . 1 1 16 16 VAL N N 15 116.5560 0.2 . 1 . . . . 12 VAL N . 18189 1 167 . 1 1 17 17 VAL H H 1 8.9640 0.02 . 1 . . . . 13 VAL HN . 18189 1 168 . 1 1 17 17 VAL HA H 1 4.6630 0.02 . 1 . . . . 13 VAL HA . 18189 1 169 . 1 1 17 17 VAL HB H 1 1.9460 0.02 . 1 . . . . 13 VAL HB . 18189 1 170 . 1 1 17 17 VAL HG11 H 1 0.6530 0.02 . 2 . . . . 13 VAL HG11 . 18189 1 171 . 1 1 17 17 VAL HG12 H 1 0.6530 0.02 . 2 . . . . 13 VAL HG11 . 18189 1 172 . 1 1 17 17 VAL HG13 H 1 0.6530 0.02 . 2 . . . . 13 VAL HG11 . 18189 1 173 . 1 1 17 17 VAL HG21 H 1 0.7480 0.02 . 2 . . . . 13 VAL HG21 . 18189 1 174 . 1 1 17 17 VAL HG22 H 1 0.7480 0.02 . 2 . . . . 13 VAL HG21 . 18189 1 175 . 1 1 17 17 VAL HG23 H 1 0.7480 0.02 . 2 . . . . 13 VAL HG21 . 18189 1 176 . 1 1 17 17 VAL C C 13 174.8960 0.3 . 1 . . . . 13 VAL C . 18189 1 177 . 1 1 17 17 VAL CA C 13 61.4460 0.3 . 1 . . . . 13 VAL CA . 18189 1 178 . 1 1 17 17 VAL CB C 13 30.8600 0.3 . 1 . . . . 13 VAL CB . 18189 1 179 . 1 1 17 17 VAL CG1 C 13 21.3460 0.3 . 2 . . . . 13 VAL CG1 . 18189 1 180 . 1 1 17 17 VAL CG2 C 13 21.3460 0.3 . 2 . . . . 13 VAL CG2 . 18189 1 181 . 1 1 17 17 VAL N N 15 130.4600 0.2 . 1 . . . . 13 VAL N . 18189 1 182 . 1 1 18 18 ASN H H 1 10.5030 0.02 . 1 . . . . 14 ASN HN . 18189 1 183 . 1 1 18 18 ASN HA H 1 4.8340 0.02 . 1 . . . . 14 ASN HA . 18189 1 184 . 1 1 18 18 ASN HB2 H 1 2.9130 0.02 . 2 . . . . 14 ASN HB1 . 18189 1 185 . 1 1 18 18 ASN HB3 H 1 3.4470 0.02 . 2 . . . . 14 ASN HB2 . 18189 1 186 . 1 1 18 18 ASN HD21 H 1 7.9600 0.02 . 2 . . . . 14 ASN HD21 . 18189 1 187 . 1 1 18 18 ASN HD22 H 1 7.4640 0.02 . 2 . . . . 14 ASN HD22 . 18189 1 188 . 1 1 18 18 ASN C C 13 176.2240 0.3 . 1 . . . . 14 ASN C . 18189 1 189 . 1 1 18 18 ASN CA C 13 51.8770 0.3 . 1 . . . . 14 ASN CA . 18189 1 190 . 1 1 18 18 ASN CB C 13 38.9560 0.3 . 1 . . . . 14 ASN CB . 18189 1 191 . 1 1 18 18 ASN N N 15 128.6490 0.2 . 1 . . . . 14 ASN N . 18189 1 192 . 1 1 18 18 ASN ND2 N 15 114.7280 0.2 . 1 . . . . 14 ASN ND2 . 18189 1 193 . 1 1 19 19 GLY H H 1 8.8080 0.02 . 1 . . . . 15 GLY HN . 18189 1 194 . 1 1 19 19 GLY HA2 H 1 3.8150 0.02 . 2 . . . . 15 GLY HA1 . 18189 1 195 . 1 1 19 19 GLY HA3 H 1 4.0760 0.02 . 2 . . . . 15 GLY HA2 . 18189 1 196 . 1 1 19 19 GLY C C 13 176.5720 0.3 . 1 . . . . 15 GLY C . 18189 1 197 . 1 1 19 19 GLY CA C 13 47.5060 0.3 . 1 . . . . 15 GLY CA . 18189 1 198 . 1 1 19 19 GLY N N 15 105.3200 0.2 . 1 . . . . 15 GLY N . 18189 1 199 . 1 1 20 20 ARG H H 1 7.8310 0.02 . 1 . . . . 16 ARG HN . 18189 1 200 . 1 1 20 20 ARG HA H 1 4.1460 0.02 . 1 . . . . 16 ARG HA . 18189 1 201 . 1 1 20 20 ARG HB2 H 1 1.8910 0.02 . 2 . . . . 16 ARG HB1 . 18189 1 202 . 1 1 20 20 ARG HB3 H 1 1.9760 0.02 . 2 . . . . 16 ARG HB2 . 18189 1 203 . 1 1 20 20 ARG HG2 H 1 1.6600 0.02 . 2 . . . . 16 ARG HG1 . 18189 1 204 . 1 1 20 20 ARG HG3 H 1 1.7210 0.02 . 2 . . . . 16 ARG HG2 . 18189 1 205 . 1 1 20 20 ARG HD2 H 1 3.1680 0.02 . 2 . . . . 16 ARG HD1 . 18189 1 206 . 1 1 20 20 ARG HD3 H 1 3.2570 0.02 . 2 . . . . 16 ARG HD2 . 18189 1 207 . 1 1 20 20 ARG C C 13 179.2370 0.3 . 1 . . . . 16 ARG C . 18189 1 208 . 1 1 20 20 ARG CA C 13 58.6880 0.3 . 1 . . . . 16 ARG CA . 18189 1 209 . 1 1 20 20 ARG CB C 13 29.0010 0.3 . 1 . . . . 16 ARG CB . 18189 1 210 . 1 1 20 20 ARG CG C 13 27.1720 0.3 . 1 . . . . 16 ARG CG . 18189 1 211 . 1 1 20 20 ARG CD C 13 43.1460 0.3 . 1 . . . . 16 ARG CD . 18189 1 212 . 1 1 20 20 ARG N N 15 121.3470 0.2 . 1 . . . . 16 ARG N . 18189 1 213 . 1 1 21 21 ASP H H 1 7.6110 0.02 . 1 . . . . 17 ASP HN . 18189 1 214 . 1 1 21 21 ASP HA H 1 4.4180 0.02 . 1 . . . . 17 ASP HA . 18189 1 215 . 1 1 21 21 ASP HB2 H 1 3.1640 0.02 . 2 . . . . 17 ASP HB1 . 18189 1 216 . 1 1 21 21 ASP HB3 H 1 3.3150 0.02 . 2 . . . . 17 ASP HB2 . 18189 1 217 . 1 1 21 21 ASP C C 13 177.9290 0.3 . 1 . . . . 17 ASP C . 18189 1 218 . 1 1 21 21 ASP CA C 13 58.2600 0.3 . 1 . . . . 17 ASP CA . 18189 1 219 . 1 1 21 21 ASP CB C 13 41.9050 0.3 . 1 . . . . 17 ASP CB . 18189 1 220 . 1 1 21 21 ASP N N 15 118.6730 0.2 . 1 . . . . 17 ASP N . 18189 1 221 . 1 1 22 22 ILE H H 1 7.1790 0.02 . 1 . . . . 18 ILE HN . 18189 1 222 . 1 1 22 22 ILE HA H 1 3.5040 0.02 . 1 . . . . 18 ILE HA . 18189 1 223 . 1 1 22 22 ILE HB H 1 2.0980 0.02 . 1 . . . . 18 ILE HB . 18189 1 224 . 1 1 22 22 ILE HG12 H 1 0.7440 0.02 . 2 . . . . 18 ILE HG11 . 18189 1 225 . 1 1 22 22 ILE HG13 H 1 1.0370 0.02 . 2 . . . . 18 ILE HG12 . 18189 1 226 . 1 1 22 22 ILE HG21 H 1 0.9060 0.02 . 1 . . . . 18 ILE HG21 . 18189 1 227 . 1 1 22 22 ILE HG22 H 1 0.9060 0.02 . 1 . . . . 18 ILE HG21 . 18189 1 228 . 1 1 22 22 ILE HG23 H 1 0.9060 0.02 . 1 . . . . 18 ILE HG21 . 18189 1 229 . 1 1 22 22 ILE HD11 H 1 0.8630 0.02 . 1 . . . . 18 ILE HD11 . 18189 1 230 . 1 1 22 22 ILE HD12 H 1 0.8630 0.02 . 1 . . . . 18 ILE HD11 . 18189 1 231 . 1 1 22 22 ILE HD13 H 1 0.8630 0.02 . 1 . . . . 18 ILE HD11 . 18189 1 232 . 1 1 22 22 ILE C C 13 177.4460 0.3 . 1 . . . . 18 ILE C . 18189 1 233 . 1 1 22 22 ILE CA C 13 66.2340 0.3 . 1 . . . . 18 ILE CA . 18189 1 234 . 1 1 22 22 ILE CB C 13 37.6230 0.3 . 1 . . . . 18 ILE CB . 18189 1 235 . 1 1 22 22 ILE CG1 C 13 30.1540 0.3 . 1 . . . . 18 ILE CG1 . 18189 1 236 . 1 1 22 22 ILE CG2 C 13 17.3590 0.3 . 1 . . . . 18 ILE CG2 . 18189 1 237 . 1 1 22 22 ILE CD1 C 13 14.4120 0.3 . 1 . . . . 18 ILE CD1 . 18189 1 238 . 1 1 22 22 ILE N N 15 118.1710 0.2 . 1 . . . . 18 ILE N . 18189 1 239 . 1 1 23 23 VAL H H 1 7.6100 0.02 . 1 . . . . 19 VAL HN . 18189 1 240 . 1 1 23 23 VAL HA H 1 3.5410 0.02 . 1 . . . . 19 VAL HA . 18189 1 241 . 1 1 23 23 VAL HB H 1 2.1640 0.02 . 1 . . . . 19 VAL HB . 18189 1 242 . 1 1 23 23 VAL HG11 H 1 0.9360 0.02 . 2 . . . . 19 VAL HG11 . 18189 1 243 . 1 1 23 23 VAL HG12 H 1 0.9360 0.02 . 2 . . . . 19 VAL HG11 . 18189 1 244 . 1 1 23 23 VAL HG13 H 1 0.9360 0.02 . 2 . . . . 19 VAL HG11 . 18189 1 245 . 1 1 23 23 VAL HG21 H 1 1.1090 0.02 . 2 . . . . 19 VAL HG21 . 18189 1 246 . 1 1 23 23 VAL HG22 H 1 1.1090 0.02 . 2 . . . . 19 VAL HG21 . 18189 1 247 . 1 1 23 23 VAL HG23 H 1 1.1090 0.02 . 2 . . . . 19 VAL HG21 . 18189 1 248 . 1 1 23 23 VAL C C 13 178.6170 0.3 . 1 . . . . 19 VAL C . 18189 1 249 . 1 1 23 23 VAL CA C 13 67.1890 0.3 . 1 . . . . 19 VAL CA . 18189 1 250 . 1 1 23 23 VAL CB C 13 31.9070 0.3 . 1 . . . . 19 VAL CB . 18189 1 251 . 1 1 23 23 VAL CG1 C 13 20.9810 0.3 . 2 . . . . 19 VAL CG1 . 18189 1 252 . 1 1 23 23 VAL CG2 C 13 22.8830 0.3 . 2 . . . . 19 VAL CG2 . 18189 1 253 . 1 1 23 23 VAL N N 15 119.6700 0.2 . 1 . . . . 19 VAL N . 18189 1 254 . 1 1 24 24 MET H H 1 7.4970 0.02 . 1 . . . . 20 MET HN . 18189 1 255 . 1 1 24 24 MET HA H 1 4.0100 0.02 . 1 . . . . 20 MET HA . 18189 1 256 . 1 1 24 24 MET HB2 H 1 2.0080 0.02 . 2 . . . . 20 MET HB1 . 18189 1 257 . 1 1 24 24 MET HB3 H 1 2.2070 0.02 . 2 . . . . 20 MET HB2 . 18189 1 258 . 1 1 24 24 MET HG2 H 1 2.8880 0.02 . 2 . . . . 20 MET HG1 . 18189 1 259 . 1 1 24 24 MET HG3 H 1 2.8800 0.02 . 2 . . . . 20 MET HG2 . 18189 1 260 . 1 1 24 24 MET C C 13 177.4760 0.3 . 1 . . . . 20 MET C . 18189 1 261 . 1 1 24 24 MET CA C 13 59.8760 0.3 . 1 . . . . 20 MET CA . 18189 1 262 . 1 1 24 24 MET CB C 13 34.4340 0.3 . 1 . . . . 20 MET CB . 18189 1 263 . 1 1 24 24 MET CG C 13 32.8850 0.3 . 1 . . . . 20 MET CG . 18189 1 264 . 1 1 24 24 MET N N 15 117.5150 0.2 . 1 . . . . 20 MET N . 18189 1 265 . 1 1 25 25 MET H H 1 8.2830 0.02 . 1 . . . . 21 MET HN . 18189 1 266 . 1 1 25 25 MET HA H 1 4.1300 0.02 . 1 . . . . 21 MET HA . 18189 1 267 . 1 1 25 25 MET HB2 H 1 2.0070 0.02 . 2 . . . . 21 MET HB1 . 18189 1 268 . 1 1 25 25 MET HB3 H 1 2.3110 0.02 . 2 . . . . 21 MET HB2 . 18189 1 269 . 1 1 25 25 MET HG2 H 1 2.3540 0.02 . 2 . . . . 21 MET HG1 . 18189 1 270 . 1 1 25 25 MET HG3 H 1 2.5550 0.02 . 2 . . . . 21 MET HG2 . 18189 1 271 . 1 1 25 25 MET C C 13 178.0790 0.3 . 1 . . . . 21 MET C . 18189 1 272 . 1 1 25 25 MET CA C 13 58.1650 0.3 . 1 . . . . 21 MET CA . 18189 1 273 . 1 1 25 25 MET CB C 13 31.7430 0.3 . 1 . . . . 21 MET CB . 18189 1 274 . 1 1 25 25 MET CG C 13 34.5790 0.3 . 1 . . . . 21 MET CG . 18189 1 275 . 1 1 25 25 MET N N 15 120.3810 0.2 . 1 . . . . 21 MET N . 18189 1 276 . 1 1 26 26 ARG H H 1 8.6770 0.02 . 1 . . . . 22 ARG HN . 18189 1 277 . 1 1 26 26 ARG HA H 1 3.8730 0.02 . 1 . . . . 22 ARG HA . 18189 1 278 . 1 1 26 26 ARG HB2 H 1 1.8280 0.02 . 2 . . . . 22 ARG HB1 . 18189 1 279 . 1 1 26 26 ARG HB3 H 1 1.9960 0.02 . 2 . . . . 22 ARG HB2 . 18189 1 280 . 1 1 26 26 ARG HG2 H 1 1.6240 0.02 . 2 . . . . 22 ARG HG1 . 18189 1 281 . 1 1 26 26 ARG HG3 H 1 1.8960 0.02 . 2 . . . . 22 ARG HG2 . 18189 1 282 . 1 1 26 26 ARG HD2 H 1 3.1630 0.02 . 2 . . . . 22 ARG HD1 . 18189 1 283 . 1 1 26 26 ARG HD3 H 1 3.2230 0.02 . 2 . . . . 22 ARG HD2 . 18189 1 284 . 1 1 26 26 ARG HE H 1 7.2070 0.02 . 1 . . . . 22 ARG HE . 18189 1 285 . 1 1 26 26 ARG C C 13 180.2110 0.3 . 1 . . . . 22 ARG C . 18189 1 286 . 1 1 26 26 ARG CA C 13 60.8870 0.3 . 1 . . . . 22 ARG CA . 18189 1 287 . 1 1 26 26 ARG CB C 13 30.1960 0.3 . 1 . . . . 22 ARG CB . 18189 1 288 . 1 1 26 26 ARG CG C 13 29.4510 0.3 . 1 . . . . 22 ARG CG . 18189 1 289 . 1 1 26 26 ARG CD C 13 43.7370 0.3 . 1 . . . . 22 ARG CD . 18189 1 290 . 1 1 26 26 ARG N N 15 119.2920 0.2 . 1 . . . . 22 ARG N . 18189 1 291 . 1 1 26 26 ARG NE N 15 85.0980 0.2 . 1 . . . . 22 ARG NE . 18189 1 292 . 1 1 27 27 GLN H H 1 8.1270 0.02 . 1 . . . . 23 GLN HN . 18189 1 293 . 1 1 27 27 GLN HA H 1 4.0040 0.02 . 1 . . . . 23 GLN HA . 18189 1 294 . 1 1 27 27 GLN HB2 H 1 1.7990 0.02 . 2 . . . . 23 GLN HB1 . 18189 1 295 . 1 1 27 27 GLN HB3 H 1 2.3070 0.02 . 2 . . . . 23 GLN HB2 . 18189 1 296 . 1 1 27 27 GLN HG2 H 1 2.3220 0.02 . 2 . . . . 23 GLN HG1 . 18189 1 297 . 1 1 27 27 GLN HG3 H 1 2.6720 0.02 . 2 . . . . 23 GLN HG2 . 18189 1 298 . 1 1 27 27 GLN HE21 H 1 7.2330 0.02 . 2 . . . . 23 GLN HE21 . 18189 1 299 . 1 1 27 27 GLN HE22 H 1 6.7020 0.02 . 2 . . . . 23 GLN HE22 . 18189 1 300 . 1 1 27 27 GLN C C 13 177.7940 0.3 . 1 . . . . 23 GLN C . 18189 1 301 . 1 1 27 27 GLN CA C 13 59.1870 0.3 . 1 . . . . 23 GLN CA . 18189 1 302 . 1 1 27 27 GLN CB C 13 28.7150 0.3 . 1 . . . . 23 GLN CB . 18189 1 303 . 1 1 27 27 GLN CG C 13 34.2360 0.3 . 1 . . . . 23 GLN CG . 18189 1 304 . 1 1 27 27 GLN N N 15 119.0910 0.2 . 1 . . . . 23 GLN N . 18189 1 305 . 1 1 27 27 GLN NE2 N 15 110.9140 0.2 . 1 . . . . 23 GLN NE2 . 18189 1 306 . 1 1 28 28 TYR H H 1 8.6730 0.02 . 1 . . . . 24 TYR HN . 18189 1 307 . 1 1 28 28 TYR HA H 1 4.0940 0.02 . 1 . . . . 24 TYR HA . 18189 1 308 . 1 1 28 28 TYR HB2 H 1 3.0580 0.02 . 2 . . . . 24 TYR HB1 . 18189 1 309 . 1 1 28 28 TYR HB3 H 1 3.1680 0.02 . 2 . . . . 24 TYR HB2 . 18189 1 310 . 1 1 28 28 TYR HD1 H 1 6.9960 0.02 . 3 . . . . 24 TYR HD1 . 18189 1 311 . 1 1 28 28 TYR HD2 H 1 6.9960 0.02 . 3 . . . . 24 TYR HD2 . 18189 1 312 . 1 1 28 28 TYR HE1 H 1 6.7720 0.02 . 3 . . . . 24 TYR HE1 . 18189 1 313 . 1 1 28 28 TYR HE2 H 1 6.7720 0.02 . 3 . . . . 24 TYR HE2 . 18189 1 314 . 1 1 28 28 TYR C C 13 181.2070 0.3 . 1 . . . . 24 TYR C . 18189 1 315 . 1 1 28 28 TYR CA C 13 62.2780 0.3 . 1 . . . . 24 TYR CA . 18189 1 316 . 1 1 28 28 TYR CB C 13 38.7500 0.3 . 1 . . . . 24 TYR CB . 18189 1 317 . 1 1 28 28 TYR CD1 C 13 132.9540 0.3 . 3 . . . . 24 TYR CD1 . 18189 1 318 . 1 1 28 28 TYR CD2 C 13 132.9540 0.3 . 3 . . . . 24 TYR CD2 . 18189 1 319 . 1 1 28 28 TYR CE1 C 13 118.6540 0.3 . 3 . . . . 24 TYR CE1 . 18189 1 320 . 1 1 28 28 TYR CE2 C 13 118.6540 0.3 . 3 . . . . 24 TYR CE2 . 18189 1 321 . 1 1 28 28 TYR N N 15 122.2630 0.2 . 1 . . . . 24 TYR N . 18189 1 322 . 1 1 29 29 LEU H H 1 8.7990 0.02 . 1 . . . . 25 LEU HN . 18189 1 323 . 1 1 29 29 LEU HA H 1 4.0360 0.02 . 1 . . . . 25 LEU HA . 18189 1 324 . 1 1 29 29 LEU HB2 H 1 1.5340 0.02 . 2 . . . . 25 LEU HB1 . 18189 1 325 . 1 1 29 29 LEU HB3 H 1 1.9320 0.02 . 2 . . . . 25 LEU HB2 . 18189 1 326 . 1 1 29 29 LEU HG H 1 2.0520 0.02 . 1 . . . . 25 LEU HG . 18189 1 327 . 1 1 29 29 LEU HD11 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD11 . 18189 1 328 . 1 1 29 29 LEU HD12 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD11 . 18189 1 329 . 1 1 29 29 LEU HD13 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD11 . 18189 1 330 . 1 1 29 29 LEU HD21 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD21 . 18189 1 331 . 1 1 29 29 LEU HD22 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD21 . 18189 1 332 . 1 1 29 29 LEU HD23 H 1 0.9220 0.02 . 2 . . . . 25 LEU HD21 . 18189 1 333 . 1 1 29 29 LEU C C 13 178.1220 0.3 . 1 . . . . 25 LEU C . 18189 1 334 . 1 1 29 29 LEU CA C 13 57.1590 0.3 . 1 . . . . 25 LEU CA . 18189 1 335 . 1 1 29 29 LEU CB C 13 41.3500 0.3 . 1 . . . . 25 LEU CB . 18189 1 336 . 1 1 29 29 LEU CG C 13 27.1640 0.3 . 1 . . . . 25 LEU CG . 18189 1 337 . 1 1 29 29 LEU CD1 C 13 22.1610 0.3 . 2 . . . . 25 LEU CD1 . 18189 1 338 . 1 1 29 29 LEU CD2 C 13 27.5200 0.3 . 2 . . . . 25 LEU CD2 . 18189 1 339 . 1 1 29 29 LEU N N 15 121.0430 0.2 . 1 . . . . 25 LEU N . 18189 1 340 . 1 1 30 30 ALA H H 1 7.5000 0.02 . 1 . . . . 26 ALA HN . 18189 1 341 . 1 1 30 30 ALA HA H 1 4.4070 0.02 . 1 . . . . 26 ALA HA . 18189 1 342 . 1 1 30 30 ALA HB1 H 1 1.5350 0.02 . 1 . . . . 26 ALA HB1 . 18189 1 343 . 1 1 30 30 ALA HB2 H 1 1.5350 0.02 . 1 . . . . 26 ALA HB1 . 18189 1 344 . 1 1 30 30 ALA HB3 H 1 1.5350 0.02 . 1 . . . . 26 ALA HB1 . 18189 1 345 . 1 1 30 30 ALA C C 13 177.7260 0.3 . 1 . . . . 26 ALA C . 18189 1 346 . 1 1 30 30 ALA CA C 13 52.2020 0.3 . 1 . . . . 26 ALA CA . 18189 1 347 . 1 1 30 30 ALA CB C 13 18.7720 0.3 . 1 . . . . 26 ALA CB . 18189 1 348 . 1 1 30 30 ALA N N 15 120.7830 0.2 . 1 . . . . 26 ALA N . 18189 1 349 . 1 1 31 31 GLY H H 1 7.7330 0.02 . 1 . . . . 27 GLY HN . 18189 1 350 . 1 1 31 31 GLY HA2 H 1 3.6550 0.02 . 2 . . . . 27 GLY HA1 . 18189 1 351 . 1 1 31 31 GLY HA3 H 1 4.0950 0.02 . 2 . . . . 27 GLY HA2 . 18189 1 352 . 1 1 31 31 GLY C C 13 174.9730 0.3 . 1 . . . . 27 GLY C . 18189 1 353 . 1 1 31 31 GLY CA C 13 45.5030 0.3 . 1 . . . . 27 GLY CA . 18189 1 354 . 1 1 31 31 GLY N N 15 107.0690 0.2 . 1 . . . . 27 GLY N . 18189 1 355 . 1 1 32 32 LYS H H 1 7.6370 0.02 . 1 . . . . 28 LYS HN . 18189 1 356 . 1 1 32 32 LYS HA H 1 4.3380 0.02 . 1 . . . . 28 LYS HA . 18189 1 357 . 1 1 32 32 LYS HB2 H 1 1.5300 0.02 . 2 . . . . 28 LYS HB1 . 18189 1 358 . 1 1 32 32 LYS HB3 H 1 1.7650 0.02 . 2 . . . . 28 LYS HB2 . 18189 1 359 . 1 1 32 32 LYS HG2 H 1 1.3560 0.02 . 2 . . . . 28 LYS HG1 . 18189 1 360 . 1 1 32 32 LYS HG3 H 1 1.4100 0.02 . 2 . . . . 28 LYS HG2 . 18189 1 361 . 1 1 32 32 LYS HD2 H 1 1.5840 0.02 . 2 . . . . 28 LYS HD1 . 18189 1 362 . 1 1 32 32 LYS HD3 H 1 1.5840 0.02 . 2 . . . . 28 LYS HD2 . 18189 1 363 . 1 1 32 32 LYS HE2 H 1 2.9310 0.02 . 2 . . . . 28 LYS HE1 . 18189 1 364 . 1 1 32 32 LYS HE3 H 1 2.9670 0.02 . 2 . . . . 28 LYS HE2 . 18189 1 365 . 1 1 32 32 LYS C C 13 176.5120 0.3 . 1 . . . . 28 LYS C . 18189 1 366 . 1 1 32 32 LYS CA C 13 54.9990 0.3 . 1 . . . . 28 LYS CA . 18189 1 367 . 1 1 32 32 LYS CB C 13 32.6830 0.3 . 1 . . . . 28 LYS CB . 18189 1 368 . 1 1 32 32 LYS CG C 13 24.9430 0.3 . 1 . . . . 28 LYS CG . 18189 1 369 . 1 1 32 32 LYS CD C 13 28.4920 0.3 . 1 . . . . 28 LYS CD . 18189 1 370 . 1 1 32 32 LYS CE C 13 42.4080 0.3 . 1 . . . . 28 LYS CE . 18189 1 371 . 1 1 32 32 LYS N N 15 119.9350 0.2 . 1 . . . . 28 LYS N . 18189 1 372 . 1 1 33 33 THR H H 1 8.5590 0.02 . 1 . . . . 29 THR HN . 18189 1 373 . 1 1 33 33 THR HA H 1 4.2460 0.02 . 1 . . . . 29 THR HA . 18189 1 374 . 1 1 33 33 THR HB H 1 4.0690 0.02 . 1 . . . . 29 THR HB . 18189 1 375 . 1 1 33 33 THR HG21 H 1 1.1840 0.02 . 1 . . . . 29 THR HG21 . 18189 1 376 . 1 1 33 33 THR HG22 H 1 1.1840 0.02 . 1 . . . . 29 THR HG21 . 18189 1 377 . 1 1 33 33 THR HG23 H 1 1.1840 0.02 . 1 . . . . 29 THR HG21 . 18189 1 378 . 1 1 33 33 THR C C 13 174.4090 0.3 . 1 . . . . 29 THR C . 18189 1 379 . 1 1 33 33 THR CA C 13 63.0890 0.3 . 1 . . . . 29 THR CA . 18189 1 380 . 1 1 33 33 THR CB C 13 68.8870 0.3 . 1 . . . . 29 THR CB . 18189 1 381 . 1 1 33 33 THR CG2 C 13 21.4310 0.3 . 1 . . . . 29 THR CG2 . 18189 1 382 . 1 1 33 33 THR N N 15 119.6100 0.2 . 1 . . . . 29 THR N . 18189 1 383 . 1 1 34 34 VAL H H 1 9.0960 0.02 . 1 . . . . 30 VAL HN . 18189 1 384 . 1 1 34 34 VAL HA H 1 4.1650 0.02 . 1 . . . . 30 VAL HA . 18189 1 385 . 1 1 34 34 VAL HB H 1 2.1350 0.02 . 1 . . . . 30 VAL HB . 18189 1 386 . 1 1 34 34 VAL HG11 H 1 1.0000 0.02 . 2 . . . . 30 VAL HG11 . 18189 1 387 . 1 1 34 34 VAL HG12 H 1 1.0000 0.02 . 2 . . . . 30 VAL HG11 . 18189 1 388 . 1 1 34 34 VAL HG13 H 1 1.0000 0.02 . 2 . . . . 30 VAL HG11 . 18189 1 389 . 1 1 34 34 VAL HG21 H 1 0.9470 0.02 . 2 . . . . 30 VAL HG21 . 18189 1 390 . 1 1 34 34 VAL HG22 H 1 0.9470 0.02 . 2 . . . . 30 VAL HG21 . 18189 1 391 . 1 1 34 34 VAL HG23 H 1 0.9470 0.02 . 2 . . . . 30 VAL HG21 . 18189 1 392 . 1 1 34 34 VAL C C 13 175.9140 0.3 . 1 . . . . 30 VAL C . 18189 1 393 . 1 1 34 34 VAL CA C 13 61.3120 0.3 . 1 . . . . 30 VAL CA . 18189 1 394 . 1 1 34 34 VAL CB C 13 32.4400 0.3 . 1 . . . . 30 VAL CB . 18189 1 395 . 1 1 34 34 VAL CG1 C 13 20.6840 0.3 . 2 . . . . 30 VAL CG1 . 18189 1 396 . 1 1 34 34 VAL CG2 C 13 22.7830 0.3 . 2 . . . . 30 VAL CG2 . 18189 1 397 . 1 1 34 34 VAL N N 15 130.6030 0.2 . 1 . . . . 30 VAL N . 18189 1 398 . 1 1 35 35 SER H H 1 8.7410 0.02 . 1 . . . . 31 SER HN . 18189 1 399 . 1 1 35 35 SER HA H 1 4.2700 0.02 . 1 . . . . 31 SER HA . 18189 1 400 . 1 1 35 35 SER HB2 H 1 3.8440 0.02 . 2 . . . . 31 SER HB1 . 18189 1 401 . 1 1 35 35 SER HB3 H 1 3.8440 0.02 . 2 . . . . 31 SER HB2 . 18189 1 402 . 1 1 35 35 SER C C 13 175.9200 0.3 . 1 . . . . 31 SER C . 18189 1 403 . 1 1 35 35 SER CA C 13 59.7990 0.3 . 1 . . . . 31 SER CA . 18189 1 404 . 1 1 35 35 SER CB C 13 63.0300 0.3 . 1 . . . . 31 SER CB . 18189 1 405 . 1 1 35 35 SER N N 15 124.0480 0.2 . 1 . . . . 31 SER N . 18189 1 406 . 1 1 36 36 GLY H H 1 8.9490 0.02 . 1 . . . . 32 GLY HN . 18189 1 407 . 1 1 36 36 GLY HA2 H 1 3.7680 0.02 . 2 . . . . 32 GLY HA1 . 18189 1 408 . 1 1 36 36 GLY HA3 H 1 3.9710 0.02 . 2 . . . . 32 GLY HA2 . 18189 1 409 . 1 1 36 36 GLY C C 13 174.3580 0.3 . 1 . . . . 32 GLY C . 18189 1 410 . 1 1 36 36 GLY CA C 13 45.7920 0.3 . 1 . . . . 32 GLY CA . 18189 1 411 . 1 1 36 36 GLY N N 15 113.7020 0.2 . 1 . . . . 32 GLY N . 18189 1 412 . 1 1 37 37 ILE H H 1 7.2060 0.02 . 1 . . . . 33 ILE HN . 18189 1 413 . 1 1 37 37 ILE HA H 1 4.1030 0.02 . 1 . . . . 33 ILE HA . 18189 1 414 . 1 1 37 37 ILE HB H 1 1.6170 0.02 . 1 . . . . 33 ILE HB . 18189 1 415 . 1 1 37 37 ILE HG12 H 1 0.8420 0.02 . 2 . . . . 33 ILE HG11 . 18189 1 416 . 1 1 37 37 ILE HG13 H 1 1.4680 0.02 . 2 . . . . 33 ILE HG12 . 18189 1 417 . 1 1 37 37 ILE HG21 H 1 0.9270 0.02 . 1 . . . . 33 ILE HG21 . 18189 1 418 . 1 1 37 37 ILE HG22 H 1 0.9270 0.02 . 1 . . . . 33 ILE HG21 . 18189 1 419 . 1 1 37 37 ILE HG23 H 1 0.9270 0.02 . 1 . . . . 33 ILE HG21 . 18189 1 420 . 1 1 37 37 ILE HD11 H 1 0.7830 0.02 . 1 . . . . 33 ILE HD11 . 18189 1 421 . 1 1 37 37 ILE HD12 H 1 0.7830 0.02 . 1 . . . . 33 ILE HD11 . 18189 1 422 . 1 1 37 37 ILE HD13 H 1 0.7830 0.02 . 1 . . . . 33 ILE HD11 . 18189 1 423 . 1 1 37 37 ILE C C 13 173.7770 0.3 . 1 . . . . 33 ILE C . 18189 1 424 . 1 1 37 37 ILE CA C 13 61.3610 0.3 . 1 . . . . 33 ILE CA . 18189 1 425 . 1 1 37 37 ILE CB C 13 39.1910 0.3 . 1 . . . . 33 ILE CB . 18189 1 426 . 1 1 37 37 ILE CG1 C 13 30.0530 0.3 . 1 . . . . 33 ILE CG1 . 18189 1 427 . 1 1 37 37 ILE CG2 C 13 16.2110 0.3 . 1 . . . . 33 ILE CG2 . 18189 1 428 . 1 1 37 37 ILE CD1 C 13 15.2880 0.3 . 1 . . . . 33 ILE CD1 . 18189 1 429 . 1 1 37 37 ILE N N 15 120.1520 0.2 . 1 . . . . 33 ILE N . 18189 1 430 . 1 1 38 38 ASP H H 1 8.8410 0.02 . 1 . . . . 34 ASP HN . 18189 1 431 . 1 1 38 38 ASP HA H 1 4.6800 0.02 . 1 . . . . 34 ASP HA . 18189 1 432 . 1 1 38 38 ASP HB2 H 1 2.7660 0.02 . 2 . . . . 34 ASP HB1 . 18189 1 433 . 1 1 38 38 ASP HB3 H 1 2.9760 0.02 . 2 . . . . 34 ASP HB2 . 18189 1 434 . 1 1 38 38 ASP C C 13 176.8420 0.3 . 1 . . . . 34 ASP C . 18189 1 435 . 1 1 38 38 ASP CA C 13 51.8780 0.3 . 1 . . . . 34 ASP CA . 18189 1 436 . 1 1 38 38 ASP CB C 13 38.1220 0.3 . 1 . . . . 34 ASP CB . 18189 1 437 . 1 1 38 38 ASP N N 15 126.3990 0.2 . 1 . . . . 34 ASP N . 18189 1 438 . 1 1 39 39 LYS H H 1 8.6570 0.02 . 1 . . . . 35 LYS HN . 18189 1 439 . 1 1 39 39 LYS HA H 1 3.7730 0.02 . 1 . . . . 35 LYS HA . 18189 1 440 . 1 1 39 39 LYS HB2 H 1 1.7850 0.02 . 2 . . . . 35 LYS HB1 . 18189 1 441 . 1 1 39 39 LYS HB3 H 1 1.8520 0.02 . 2 . . . . 35 LYS HB2 . 18189 1 442 . 1 1 39 39 LYS HG2 H 1 1.2280 0.02 . 2 . . . . 35 LYS HG1 . 18189 1 443 . 1 1 39 39 LYS HG3 H 1 1.5850 0.02 . 2 . . . . 35 LYS HG2 . 18189 1 444 . 1 1 39 39 LYS HD2 H 1 1.7380 0.02 . 2 . . . . 35 LYS HD1 . 18189 1 445 . 1 1 39 39 LYS HD3 H 1 1.7380 0.02 . 2 . . . . 35 LYS HD2 . 18189 1 446 . 1 1 39 39 LYS HE2 H 1 3.0580 0.02 . 2 . . . . 35 LYS HE1 . 18189 1 447 . 1 1 39 39 LYS HE3 H 1 3.0580 0.02 . 2 . . . . 35 LYS HE2 . 18189 1 448 . 1 1 39 39 LYS C C 13 178.3330 0.3 . 1 . . . . 35 LYS C . 18189 1 449 . 1 1 39 39 LYS CA C 13 58.4820 0.3 . 1 . . . . 35 LYS CA . 18189 1 450 . 1 1 39 39 LYS CB C 13 31.5460 0.3 . 1 . . . . 35 LYS CB . 18189 1 451 . 1 1 39 39 LYS CG C 13 25.9680 0.3 . 1 . . . . 35 LYS CG . 18189 1 452 . 1 1 39 39 LYS CD C 13 29.4940 0.3 . 1 . . . . 35 LYS CD . 18189 1 453 . 1 1 39 39 LYS CE C 13 42.0670 0.3 . 1 . . . . 35 LYS CE . 18189 1 454 . 1 1 39 39 LYS N N 15 124.6060 0.2 . 1 . . . . 35 LYS N . 18189 1 455 . 1 1 40 40 ASN H H 1 8.1990 0.02 . 1 . . . . 36 ASN HN . 18189 1 456 . 1 1 40 40 ASN HA H 1 4.5420 0.02 . 1 . . . . 36 ASN HA . 18189 1 457 . 1 1 40 40 ASN HB2 H 1 2.7950 0.02 . 2 . . . . 36 ASN HB1 . 18189 1 458 . 1 1 40 40 ASN HB3 H 1 2.8670 0.02 . 2 . . . . 36 ASN HB2 . 18189 1 459 . 1 1 40 40 ASN HD21 H 1 7.8730 0.02 . 2 . . . . 36 ASN HD21 . 18189 1 460 . 1 1 40 40 ASN HD22 H 1 7.0520 0.02 . 2 . . . . 36 ASN HD22 . 18189 1 461 . 1 1 40 40 ASN C C 13 175.3720 0.3 . 1 . . . . 36 ASN C . 18189 1 462 . 1 1 40 40 ASN CA C 13 54.5390 0.3 . 1 . . . . 36 ASN CA . 18189 1 463 . 1 1 40 40 ASN CB C 13 38.0720 0.3 . 1 . . . . 36 ASN CB . 18189 1 464 . 1 1 40 40 ASN N N 15 115.9090 0.2 . 1 . . . . 36 ASN N . 18189 1 465 . 1 1 40 40 ASN ND2 N 15 115.7410 0.2 . 1 . . . . 36 ASN ND2 . 18189 1 466 . 1 1 41 41 ALA H H 1 7.4440 0.02 . 1 . . . . 37 ALA HN . 18189 1 467 . 1 1 41 41 ALA HA H 1 4.2650 0.02 . 1 . . . . 37 ALA HA . 18189 1 468 . 1 1 41 41 ALA HB1 H 1 1.3160 0.02 . 1 . . . . 37 ALA HB1 . 18189 1 469 . 1 1 41 41 ALA HB2 H 1 1.3160 0.02 . 1 . . . . 37 ALA HB1 . 18189 1 470 . 1 1 41 41 ALA HB3 H 1 1.3160 0.02 . 1 . . . . 37 ALA HB1 . 18189 1 471 . 1 1 41 41 ALA C C 13 176.7160 0.3 . 1 . . . . 37 ALA C . 18189 1 472 . 1 1 41 41 ALA CA C 13 51.6580 0.3 . 1 . . . . 37 ALA CA . 18189 1 473 . 1 1 41 41 ALA CB C 13 21.0310 0.3 . 1 . . . . 37 ALA CB . 18189 1 474 . 1 1 41 41 ALA N N 15 122.4800 0.2 . 1 . . . . 37 ALA N . 18189 1 475 . 1 1 42 42 LEU H H 1 6.4810 0.02 . 1 . . . . 38 LEU HN . 18189 1 476 . 1 1 42 42 LEU HA H 1 3.8090 0.02 . 1 . . . . 38 LEU HA . 18189 1 477 . 1 1 42 42 LEU HB2 H 1 1.3450 0.02 . 2 . . . . 38 LEU HB1 . 18189 1 478 . 1 1 42 42 LEU HB3 H 1 1.6110 0.02 . 2 . . . . 38 LEU HB2 . 18189 1 479 . 1 1 42 42 LEU HG H 1 1.4630 0.02 . 1 . . . . 38 LEU HG . 18189 1 480 . 1 1 42 42 LEU HD11 H 1 0.4630 0.02 . 2 . . . . 38 LEU HD11 . 18189 1 481 . 1 1 42 42 LEU HD12 H 1 0.4630 0.02 . 2 . . . . 38 LEU HD11 . 18189 1 482 . 1 1 42 42 LEU HD13 H 1 0.4630 0.02 . 2 . . . . 38 LEU HD11 . 18189 1 483 . 1 1 42 42 LEU HD21 H 1 0.3660 0.02 . 2 . . . . 38 LEU HD21 . 18189 1 484 . 1 1 42 42 LEU HD22 H 1 0.3660 0.02 . 2 . . . . 38 LEU HD21 . 18189 1 485 . 1 1 42 42 LEU HD23 H 1 0.3660 0.02 . 2 . . . . 38 LEU HD21 . 18189 1 486 . 1 1 42 42 LEU C C 13 176.5890 0.3 . 1 . . . . 38 LEU C . 18189 1 487 . 1 1 42 42 LEU CA C 13 57.5930 0.3 . 1 . . . . 38 LEU CA . 18189 1 488 . 1 1 42 42 LEU CB C 13 45.5370 0.3 . 1 . . . . 38 LEU CB . 18189 1 489 . 1 1 42 42 LEU CG C 13 26.2700 0.3 . 1 . . . . 38 LEU CG . 18189 1 490 . 1 1 42 42 LEU CD1 C 13 24.1110 0.3 . 2 . . . . 38 LEU CD1 . 18189 1 491 . 1 1 42 42 LEU CD2 C 13 25.8050 0.3 . 2 . . . . 38 LEU CD2 . 18189 1 492 . 1 1 42 42 LEU N N 15 116.3530 0.2 . 1 . . . . 38 LEU N . 18189 1 493 . 1 1 43 43 ASP H H 1 8.0700 0.02 . 1 . . . . 39 ASP HN . 18189 1 494 . 1 1 43 43 ASP HA H 1 4.7280 0.02 . 1 . . . . 39 ASP HA . 18189 1 495 . 1 1 43 43 ASP HB2 H 1 2.1440 0.02 . 2 . . . . 39 ASP HB1 . 18189 1 496 . 1 1 43 43 ASP HB3 H 1 2.7750 0.02 . 2 . . . . 39 ASP HB2 . 18189 1 497 . 1 1 43 43 ASP C C 13 177.0150 0.3 . 1 . . . . 39 ASP C . 18189 1 498 . 1 1 43 43 ASP CA C 13 52.1380 0.3 . 1 . . . . 39 ASP CA . 18189 1 499 . 1 1 43 43 ASP CB C 13 37.8860 0.3 . 1 . . . . 39 ASP CB . 18189 1 500 . 1 1 43 43 ASP N N 15 114.9860 0.2 . 1 . . . . 39 ASP N . 18189 1 501 . 1 1 44 44 ILE H H 1 8.0490 0.02 . 1 . . . . 40 ILE HN . 18189 1 502 . 1 1 44 44 ILE HA H 1 3.5460 0.02 . 1 . . . . 40 ILE HA . 18189 1 503 . 1 1 44 44 ILE HB H 1 1.8350 0.02 . 1 . . . . 40 ILE HB . 18189 1 504 . 1 1 44 44 ILE HG12 H 1 1.3270 0.02 . 2 . . . . 40 ILE HG11 . 18189 1 505 . 1 1 44 44 ILE HG13 H 1 1.7220 0.02 . 2 . . . . 40 ILE HG12 . 18189 1 506 . 1 1 44 44 ILE HG21 H 1 0.8560 0.02 . 1 . . . . 40 ILE HG21 . 18189 1 507 . 1 1 44 44 ILE HG22 H 1 0.8560 0.02 . 1 . . . . 40 ILE HG21 . 18189 1 508 . 1 1 44 44 ILE HG23 H 1 0.8560 0.02 . 1 . . . . 40 ILE HG21 . 18189 1 509 . 1 1 44 44 ILE HD11 H 1 0.8080 0.02 . 1 . . . . 40 ILE HD11 . 18189 1 510 . 1 1 44 44 ILE HD12 H 1 0.8080 0.02 . 1 . . . . 40 ILE HD11 . 18189 1 511 . 1 1 44 44 ILE HD13 H 1 0.8080 0.02 . 1 . . . . 40 ILE HD11 . 18189 1 512 . 1 1 44 44 ILE C C 13 176.7760 0.3 . 1 . . . . 40 ILE C . 18189 1 513 . 1 1 44 44 ILE CA C 13 63.4780 0.3 . 1 . . . . 40 ILE CA . 18189 1 514 . 1 1 44 44 ILE CB C 13 38.2170 0.3 . 1 . . . . 40 ILE CB . 18189 1 515 . 1 1 44 44 ILE CG1 C 13 28.8280 0.3 . 1 . . . . 40 ILE CG1 . 18189 1 516 . 1 1 44 44 ILE CG2 C 13 17.7000 0.3 . 1 . . . . 40 ILE CG2 . 18189 1 517 . 1 1 44 44 ILE CD1 C 13 13.6060 0.3 . 1 . . . . 40 ILE CD1 . 18189 1 518 . 1 1 44 44 ILE N N 15 126.0050 0.2 . 1 . . . . 40 ILE N . 18189 1 519 . 1 1 45 45 ASN H H 1 7.9560 0.02 . 1 . . . . 41 ASN HN . 18189 1 520 . 1 1 45 45 ASN HA H 1 4.7360 0.02 . 1 . . . . 41 ASN HA . 18189 1 521 . 1 1 45 45 ASN HB2 H 1 2.5750 0.02 . 2 . . . . 41 ASN HB1 . 18189 1 522 . 1 1 45 45 ASN HB3 H 1 3.3650 0.02 . 2 . . . . 41 ASN HB2 . 18189 1 523 . 1 1 45 45 ASN HD21 H 1 8.3790 0.02 . 2 . . . . 41 ASN HD21 . 18189 1 524 . 1 1 45 45 ASN HD22 H 1 6.8800 0.02 . 2 . . . . 41 ASN HD22 . 18189 1 525 . 1 1 45 45 ASN C C 13 176.6730 0.3 . 1 . . . . 41 ASN C . 18189 1 526 . 1 1 45 45 ASN CA C 13 51.5470 0.3 . 1 . . . . 41 ASN CA . 18189 1 527 . 1 1 45 45 ASN CB C 13 37.8330 0.3 . 1 . . . . 41 ASN CB . 18189 1 528 . 1 1 45 45 ASN N N 15 112.8930 0.2 . 1 . . . . 41 ASN N . 18189 1 529 . 1 1 45 45 ASN ND2 N 15 113.6330 0.2 . 1 . . . . 41 ASN ND2 . 18189 1 530 . 1 1 46 46 GLY H H 1 7.4710 0.02 . 1 . . . . 42 GLY HN . 18189 1 531 . 1 1 46 46 GLY HA2 H 1 3.8340 0.02 . 2 . . . . 42 GLY HA1 . 18189 1 532 . 1 1 46 46 GLY HA3 H 1 4.0860 0.02 . 2 . . . . 42 GLY HA2 . 18189 1 533 . 1 1 46 46 GLY C C 13 174.9820 0.3 . 1 . . . . 42 GLY C . 18189 1 534 . 1 1 46 46 GLY CA C 13 47.7080 0.3 . 1 . . . . 42 GLY CA . 18189 1 535 . 1 1 46 46 GLY N N 15 109.2620 0.2 . 1 . . . . 42 GLY N . 18189 1 536 . 1 1 47 47 ASP H H 1 8.0240 0.02 . 1 . . . . 43 ASP HN . 18189 1 537 . 1 1 47 47 ASP HA H 1 4.5520 0.02 . 1 . . . . 43 ASP HA . 18189 1 538 . 1 1 47 47 ASP HB2 H 1 2.4070 0.02 . 2 . . . . 43 ASP HB1 . 18189 1 539 . 1 1 47 47 ASP HB3 H 1 3.0980 0.02 . 2 . . . . 43 ASP HB2 . 18189 1 540 . 1 1 47 47 ASP C C 13 177.7850 0.3 . 1 . . . . 43 ASP C . 18189 1 541 . 1 1 47 47 ASP CA C 13 53.3470 0.3 . 1 . . . . 43 ASP CA . 18189 1 542 . 1 1 47 47 ASP CB C 13 40.5200 0.3 . 1 . . . . 43 ASP CB . 18189 1 543 . 1 1 47 47 ASP N N 15 119.3390 0.2 . 1 . . . . 43 ASP N . 18189 1 544 . 1 1 48 48 GLY H H 1 10.2440 0.02 . 1 . . . . 44 GLY HN . 18189 1 545 . 1 1 48 48 GLY HA2 H 1 3.5080 0.02 . 2 . . . . 44 GLY HA1 . 18189 1 546 . 1 1 48 48 GLY HA3 H 1 4.2050 0.02 . 2 . . . . 44 GLY HA2 . 18189 1 547 . 1 1 48 48 GLY C C 13 173.0020 0.3 . 1 . . . . 44 GLY C . 18189 1 548 . 1 1 48 48 GLY CA C 13 45.5790 0.3 . 1 . . . . 44 GLY CA . 18189 1 549 . 1 1 48 48 GLY N N 15 113.9190 0.2 . 1 . . . . 44 GLY N . 18189 1 550 . 1 1 49 49 ALA H H 1 7.9470 0.02 . 1 . . . . 45 ALA HN . 18189 1 551 . 1 1 49 49 ALA HA H 1 4.7430 0.02 . 1 . . . . 45 ALA HA . 18189 1 552 . 1 1 49 49 ALA HB1 H 1 1.2480 0.02 . 1 . . . . 45 ALA HB1 . 18189 1 553 . 1 1 49 49 ALA HB2 H 1 1.2480 0.02 . 1 . . . . 45 ALA HB1 . 18189 1 554 . 1 1 49 49 ALA HB3 H 1 1.2480 0.02 . 1 . . . . 45 ALA HB1 . 18189 1 555 . 1 1 49 49 ALA C C 13 176.4120 0.3 . 1 . . . . 45 ALA C . 18189 1 556 . 1 1 49 49 ALA CA C 13 49.9650 0.3 . 1 . . . . 45 ALA CA . 18189 1 557 . 1 1 49 49 ALA CB C 13 22.4160 0.3 . 1 . . . . 45 ALA CB . 18189 1 558 . 1 1 49 49 ALA N N 15 123.8260 0.2 . 1 . . . . 45 ALA N . 18189 1 559 . 1 1 50 50 VAL H H 1 9.0690 0.02 . 1 . . . . 46 VAL HN . 18189 1 560 . 1 1 50 50 VAL HA H 1 4.8920 0.02 . 1 . . . . 46 VAL HA . 18189 1 561 . 1 1 50 50 VAL HB H 1 2.1710 0.02 . 1 . . . . 46 VAL HB . 18189 1 562 . 1 1 50 50 VAL HG11 H 1 0.9910 0.02 . 2 . . . . 46 VAL HG11 . 18189 1 563 . 1 1 50 50 VAL HG12 H 1 0.9910 0.02 . 2 . . . . 46 VAL HG11 . 18189 1 564 . 1 1 50 50 VAL HG13 H 1 0.9910 0.02 . 2 . . . . 46 VAL HG11 . 18189 1 565 . 1 1 50 50 VAL HG21 H 1 0.7460 0.02 . 2 . . . . 46 VAL HG21 . 18189 1 566 . 1 1 50 50 VAL HG22 H 1 0.7460 0.02 . 2 . . . . 46 VAL HG21 . 18189 1 567 . 1 1 50 50 VAL HG23 H 1 0.7460 0.02 . 2 . . . . 46 VAL HG21 . 18189 1 568 . 1 1 50 50 VAL C C 13 175.2020 0.3 . 1 . . . . 46 VAL C . 18189 1 569 . 1 1 50 50 VAL CA C 13 61.5450 0.3 . 1 . . . . 46 VAL CA . 18189 1 570 . 1 1 50 50 VAL CB C 13 31.9010 0.3 . 1 . . . . 46 VAL CB . 18189 1 571 . 1 1 50 50 VAL CG1 C 13 22.6710 0.3 . 2 . . . . 46 VAL CG1 . 18189 1 572 . 1 1 50 50 VAL CG2 C 13 21.1580 0.3 . 2 . . . . 46 VAL CG2 . 18189 1 573 . 1 1 50 50 VAL N N 15 126.2140 0.2 . 1 . . . . 46 VAL N . 18189 1 574 . 1 1 51 51 ASN H H 1 9.7880 0.02 . 1 . . . . 47 ASN HN . 18189 1 575 . 1 1 51 51 ASN HA H 1 4.8640 0.02 . 1 . . . . 47 ASN HA . 18189 1 576 . 1 1 51 51 ASN HB2 H 1 3.1560 0.02 . 2 . . . . 47 ASN HB1 . 18189 1 577 . 1 1 51 51 ASN HB3 H 1 3.3680 0.02 . 2 . . . . 47 ASN HB2 . 18189 1 578 . 1 1 51 51 ASN HD21 H 1 7.9930 0.02 . 2 . . . . 47 ASN HD21 . 18189 1 579 . 1 1 51 51 ASN HD22 H 1 7.4800 0.02 . 2 . . . . 47 ASN HD22 . 18189 1 580 . 1 1 51 51 ASN C C 13 176.2030 0.3 . 1 . . . . 47 ASN C . 18189 1 581 . 1 1 51 51 ASN CA C 13 52.2780 0.3 . 1 . . . . 47 ASN CA . 18189 1 582 . 1 1 51 51 ASN CB C 13 38.7990 0.3 . 1 . . . . 47 ASN CB . 18189 1 583 . 1 1 51 51 ASN N N 15 126.5110 0.2 . 1 . . . . 47 ASN N . 18189 1 584 . 1 1 51 51 ASN ND2 N 15 116.2980 0.2 . 1 . . . . 47 ASN ND2 . 18189 1 585 . 1 1 52 52 GLY H H 1 8.8430 0.02 . 1 . . . . 48 GLY HN . 18189 1 586 . 1 1 52 52 GLY HA2 H 1 3.8640 0.02 . 2 . . . . 48 GLY HA1 . 18189 1 587 . 1 1 52 52 GLY HA3 H 1 4.1260 0.02 . 2 . . . . 48 GLY HA2 . 18189 1 588 . 1 1 52 52 GLY C C 13 176.6800 0.3 . 1 . . . . 48 GLY C . 18189 1 589 . 1 1 52 52 GLY CA C 13 47.3430 0.3 . 1 . . . . 48 GLY CA . 18189 1 590 . 1 1 52 52 GLY N N 15 105.7580 0.2 . 1 . . . . 48 GLY N . 18189 1 591 . 1 1 53 53 ARG H H 1 8.1150 0.02 . 1 . . . . 49 ARG HN . 18189 1 592 . 1 1 53 53 ARG HA H 1 4.2580 0.02 . 1 . . . . 49 ARG HA . 18189 1 593 . 1 1 53 53 ARG HB2 H 1 1.8950 0.02 . 2 . . . . 49 ARG HB1 . 18189 1 594 . 1 1 53 53 ARG HB3 H 1 1.9880 0.02 . 2 . . . . 49 ARG HB2 . 18189 1 595 . 1 1 53 53 ARG HG2 H 1 1.6660 0.02 . 2 . . . . 49 ARG HG1 . 18189 1 596 . 1 1 53 53 ARG HG3 H 1 1.7650 0.02 . 2 . . . . 49 ARG HG2 . 18189 1 597 . 1 1 53 53 ARG HD2 H 1 3.2090 0.02 . 2 . . . . 49 ARG HD1 . 18189 1 598 . 1 1 53 53 ARG HD3 H 1 3.2620 0.02 . 2 . . . . 49 ARG HD2 . 18189 1 599 . 1 1 53 53 ARG C C 13 179.6750 0.3 . 1 . . . . 49 ARG C . 18189 1 600 . 1 1 53 53 ARG CA C 13 59.1610 0.3 . 1 . . . . 49 ARG CA . 18189 1 601 . 1 1 53 53 ARG CB C 13 29.0610 0.3 . 1 . . . . 49 ARG CB . 18189 1 602 . 1 1 53 53 ARG CG C 13 27.2720 0.3 . 1 . . . . 49 ARG CG . 18189 1 603 . 1 1 53 53 ARG CD C 13 43.1330 0.3 . 1 . . . . 49 ARG CD . 18189 1 604 . 1 1 53 53 ARG N N 15 121.4020 0.2 . 1 . . . . 49 ARG N . 18189 1 605 . 1 1 54 54 ASP H H 1 7.8970 0.02 . 1 . . . . 50 ASP HN . 18189 1 606 . 1 1 54 54 ASP HA H 1 4.3890 0.02 . 1 . . . . 50 ASP HA . 18189 1 607 . 1 1 54 54 ASP HB2 H 1 2.9750 0.02 . 2 . . . . 50 ASP HB1 . 18189 1 608 . 1 1 54 54 ASP HB3 H 1 3.2490 0.02 . 2 . . . . 50 ASP HB2 . 18189 1 609 . 1 1 54 54 ASP C C 13 177.8350 0.3 . 1 . . . . 50 ASP C . 18189 1 610 . 1 1 54 54 ASP CA C 13 58.7190 0.3 . 1 . . . . 50 ASP CA . 18189 1 611 . 1 1 54 54 ASP CB C 13 41.1720 0.3 . 1 . . . . 50 ASP CB . 18189 1 612 . 1 1 54 54 ASP N N 15 118.5490 0.2 . 1 . . . . 50 ASP N . 18189 1 613 . 1 1 55 55 LEU H H 1 6.8770 0.02 . 1 . . . . 51 LEU HN . 18189 1 614 . 1 1 55 55 LEU HA H 1 4.2280 0.02 . 1 . . . . 51 LEU HA . 18189 1 615 . 1 1 55 55 LEU HB2 H 1 1.4500 0.02 . 2 . . . . 51 LEU HB1 . 18189 1 616 . 1 1 55 55 LEU HB3 H 1 2.1920 0.02 . 2 . . . . 51 LEU HB2 . 18189 1 617 . 1 1 55 55 LEU HG H 1 1.7000 0.02 . 1 . . . . 51 LEU HG . 18189 1 618 . 1 1 55 55 LEU HD11 H 1 0.9820 0.02 . 2 . . . . 51 LEU HD11 . 18189 1 619 . 1 1 55 55 LEU HD12 H 1 0.9820 0.02 . 2 . . . . 51 LEU HD11 . 18189 1 620 . 1 1 55 55 LEU HD13 H 1 0.9820 0.02 . 2 . . . . 51 LEU HD11 . 18189 1 621 . 1 1 55 55 LEU HD21 H 1 0.9480 0.02 . 2 . . . . 51 LEU HD21 . 18189 1 622 . 1 1 55 55 LEU HD22 H 1 0.9480 0.02 . 2 . . . . 51 LEU HD21 . 18189 1 623 . 1 1 55 55 LEU HD23 H 1 0.9480 0.02 . 2 . . . . 51 LEU HD21 . 18189 1 624 . 1 1 55 55 LEU C C 13 177.3720 0.3 . 1 . . . . 51 LEU C . 18189 1 625 . 1 1 55 55 LEU CA C 13 58.3220 0.3 . 1 . . . . 51 LEU CA . 18189 1 626 . 1 1 55 55 LEU CB C 13 40.7090 0.3 . 1 . . . . 51 LEU CB . 18189 1 627 . 1 1 55 55 LEU CG C 13 27.0550 0.3 . 1 . . . . 51 LEU CG . 18189 1 628 . 1 1 55 55 LEU CD1 C 13 26.5110 0.3 . 2 . . . . 51 LEU CD1 . 18189 1 629 . 1 1 55 55 LEU CD2 C 13 23.7580 0.3 . 2 . . . . 51 LEU CD2 . 18189 1 630 . 1 1 55 55 LEU N N 15 119.4840 0.2 . 1 . . . . 51 LEU N . 18189 1 631 . 1 1 56 56 MET H H 1 7.9580 0.02 . 1 . . . . 52 MET HN . 18189 1 632 . 1 1 56 56 MET HA H 1 4.1480 0.02 . 1 . . . . 52 MET HA . 18189 1 633 . 1 1 56 56 MET HB2 H 1 2.6490 0.02 . 2 . . . . 52 MET HB1 . 18189 1 634 . 1 1 56 56 MET HB3 H 1 2.7550 0.02 . 2 . . . . 52 MET HB2 . 18189 1 635 . 1 1 56 56 MET HG2 H 1 2.2310 0.02 . 2 . . . . 52 MET HG1 . 18189 1 636 . 1 1 56 56 MET HG3 H 1 2.2310 0.02 . 2 . . . . 52 MET HG2 . 18189 1 637 . 1 1 56 56 MET C C 13 179.5360 0.3 . 1 . . . . 52 MET C . 18189 1 638 . 1 1 56 56 MET CA C 13 58.9650 0.3 . 1 . . . . 52 MET CA . 18189 1 639 . 1 1 56 56 MET CB C 13 32.0000 0.3 . 1 . . . . 52 MET CB . 18189 1 640 . 1 1 56 56 MET CG C 13 31.9820 0.3 . 1 . . . . 52 MET CG . 18189 1 641 . 1 1 56 56 MET N N 15 117.8990 0.2 . 1 . . . . 52 MET N . 18189 1 642 . 1 1 57 57 GLU H H 1 7.9740 0.02 . 1 . . . . 53 GLU HN . 18189 1 643 . 1 1 57 57 GLU HA H 1 4.1380 0.02 . 1 . . . . 53 GLU HA . 18189 1 644 . 1 1 57 57 GLU HB2 H 1 2.0830 0.02 . 2 . . . . 53 GLU HB1 . 18189 1 645 . 1 1 57 57 GLU HB3 H 1 2.0830 0.02 . 2 . . . . 53 GLU HB2 . 18189 1 646 . 1 1 57 57 GLU HG2 H 1 2.2930 0.02 . 2 . . . . 53 GLU HG1 . 18189 1 647 . 1 1 57 57 GLU HG3 H 1 2.4550 0.02 . 2 . . . . 53 GLU HG2 . 18189 1 648 . 1 1 57 57 GLU C C 13 178.8150 0.3 . 1 . . . . 53 GLU C . 18189 1 649 . 1 1 57 57 GLU CA C 13 58.8370 0.3 . 1 . . . . 53 GLU CA . 18189 1 650 . 1 1 57 57 GLU CB C 13 29.0400 0.3 . 1 . . . . 53 GLU CB . 18189 1 651 . 1 1 57 57 GLU CG C 13 35.6200 0.3 . 1 . . . . 53 GLU CG . 18189 1 652 . 1 1 57 57 GLU N N 15 119.2300 0.2 . 1 . . . . 53 GLU N . 18189 1 653 . 1 1 58 58 LEU H H 1 8.4060 0.02 . 1 . . . . 54 LEU HN . 18189 1 654 . 1 1 58 58 LEU HA H 1 4.0180 0.02 . 1 . . . . 54 LEU HA . 18189 1 655 . 1 1 58 58 LEU HB2 H 1 1.6700 0.02 . 2 . . . . 54 LEU HB1 . 18189 1 656 . 1 1 58 58 LEU HB3 H 1 2.2250 0.02 . 2 . . . . 54 LEU HB2 . 18189 1 657 . 1 1 58 58 LEU HG H 1 1.5600 0.02 . 1 . . . . 54 LEU HG . 18189 1 658 . 1 1 58 58 LEU HD11 H 1 0.9980 0.02 . 2 . . . . 54 LEU HD11 . 18189 1 659 . 1 1 58 58 LEU HD12 H 1 0.9980 0.02 . 2 . . . . 54 LEU HD11 . 18189 1 660 . 1 1 58 58 LEU HD13 H 1 0.9980 0.02 . 2 . . . . 54 LEU HD11 . 18189 1 661 . 1 1 58 58 LEU HD21 H 1 0.8510 0.02 . 2 . . . . 54 LEU HD21 . 18189 1 662 . 1 1 58 58 LEU HD22 H 1 0.8510 0.02 . 2 . . . . 54 LEU HD21 . 18189 1 663 . 1 1 58 58 LEU HD23 H 1 0.8510 0.02 . 2 . . . . 54 LEU HD21 . 18189 1 664 . 1 1 58 58 LEU C C 13 177.8640 0.3 . 1 . . . . 54 LEU C . 18189 1 665 . 1 1 58 58 LEU CA C 13 58.3910 0.3 . 1 . . . . 54 LEU CA . 18189 1 666 . 1 1 58 58 LEU CB C 13 42.3300 0.3 . 1 . . . . 54 LEU CB . 18189 1 667 . 1 1 58 58 LEU CG C 13 27.0210 0.3 . 1 . . . . 54 LEU CG . 18189 1 668 . 1 1 58 58 LEU CD1 C 13 24.5970 0.3 . 2 . . . . 54 LEU CD1 . 18189 1 669 . 1 1 58 58 LEU CD2 C 13 27.0210 0.3 . 2 . . . . 54 LEU CD2 . 18189 1 670 . 1 1 58 58 LEU N N 15 124.1380 0.2 . 1 . . . . 54 LEU N . 18189 1 671 . 1 1 59 59 ILE H H 1 8.4610 0.02 . 1 . . . . 55 ILE HN . 18189 1 672 . 1 1 59 59 ILE HA H 1 3.5080 0.02 . 1 . . . . 55 ILE HA . 18189 1 673 . 1 1 59 59 ILE HB H 1 1.8870 0.02 . 1 . . . . 55 ILE HB . 18189 1 674 . 1 1 59 59 ILE HG12 H 1 1.0340 0.02 . 2 . . . . 55 ILE HG11 . 18189 1 675 . 1 1 59 59 ILE HG13 H 1 1.8230 0.02 . 2 . . . . 55 ILE HG12 . 18189 1 676 . 1 1 59 59 ILE HG21 H 1 0.9000 0.02 . 1 . . . . 55 ILE HG21 . 18189 1 677 . 1 1 59 59 ILE HG22 H 1 0.9000 0.02 . 1 . . . . 55 ILE HG21 . 18189 1 678 . 1 1 59 59 ILE HG23 H 1 0.9000 0.02 . 1 . . . . 55 ILE HG21 . 18189 1 679 . 1 1 59 59 ILE HD11 H 1 0.8640 0.02 . 1 . . . . 55 ILE HD11 . 18189 1 680 . 1 1 59 59 ILE HD12 H 1 0.8640 0.02 . 1 . . . . 55 ILE HD11 . 18189 1 681 . 1 1 59 59 ILE HD13 H 1 0.8640 0.02 . 1 . . . . 55 ILE HD11 . 18189 1 682 . 1 1 59 59 ILE C C 13 179.2210 0.3 . 1 . . . . 55 ILE C . 18189 1 683 . 1 1 59 59 ILE CA C 13 66.1290 0.3 . 1 . . . . 55 ILE CA . 18189 1 684 . 1 1 59 59 ILE CB C 13 38.4790 0.3 . 1 . . . . 55 ILE CB . 18189 1 685 . 1 1 59 59 ILE CG1 C 13 30.1320 0.3 . 1 . . . . 55 ILE CG1 . 18189 1 686 . 1 1 59 59 ILE CG2 C 13 17.4000 0.3 . 1 . . . . 55 ILE CG2 . 18189 1 687 . 1 1 59 59 ILE CD1 C 13 14.3940 0.3 . 1 . . . . 55 ILE CD1 . 18189 1 688 . 1 1 59 59 ILE N N 15 119.6310 0.2 . 1 . . . . 55 ILE N . 18189 1 689 . 1 1 60 60 LYS H H 1 7.6610 0.02 . 1 . . . . 56 LYS HN . 18189 1 690 . 1 1 60 60 LYS HA H 1 4.0410 0.02 . 1 . . . . 56 LYS HA . 18189 1 691 . 1 1 60 60 LYS HB2 H 1 1.9120 0.02 . 2 . . . . 56 LYS HB1 . 18189 1 692 . 1 1 60 60 LYS HB3 H 1 1.9450 0.02 . 2 . . . . 56 LYS HB2 . 18189 1 693 . 1 1 60 60 LYS HG2 H 1 1.5640 0.02 . 2 . . . . 56 LYS HG1 . 18189 1 694 . 1 1 60 60 LYS HG3 H 1 1.4090 0.02 . 2 . . . . 56 LYS HG2 . 18189 1 695 . 1 1 60 60 LYS HD2 H 1 1.6390 0.02 . 2 . . . . 56 LYS HD1 . 18189 1 696 . 1 1 60 60 LYS HD3 H 1 1.6870 0.02 . 2 . . . . 56 LYS HD2 . 18189 1 697 . 1 1 60 60 LYS HE2 H 1 2.9510 0.02 . 2 . . . . 56 LYS HE1 . 18189 1 698 . 1 1 60 60 LYS HE3 H 1 2.9400 0.02 . 2 . . . . 56 LYS HE2 . 18189 1 699 . 1 1 60 60 LYS C C 13 178.6090 0.3 . 1 . . . . 56 LYS C . 18189 1 700 . 1 1 60 60 LYS CA C 13 59.5690 0.3 . 1 . . . . 56 LYS CA . 18189 1 701 . 1 1 60 60 LYS CB C 13 32.4700 0.3 . 1 . . . . 56 LYS CB . 18189 1 702 . 1 1 60 60 LYS CG C 13 24.9880 0.3 . 1 . . . . 56 LYS CG . 18189 1 703 . 1 1 60 60 LYS CD C 13 29.6080 0.3 . 1 . . . . 56 LYS CD . 18189 1 704 . 1 1 60 60 LYS CE C 13 42.1300 0.3 . 1 . . . . 56 LYS CE . 18189 1 705 . 1 1 60 60 LYS N N 15 120.7800 0.2 . 1 . . . . 56 LYS N . 18189 1 706 . 1 1 61 61 LYS H H 1 8.0720 0.02 . 1 . . . . 57 LYS HN . 18189 1 707 . 1 1 61 61 LYS HA H 1 4.0880 0.02 . 1 . . . . 57 LYS HA . 18189 1 708 . 1 1 61 61 LYS HB2 H 1 1.9290 0.02 . 2 . . . . 57 LYS HB1 . 18189 1 709 . 1 1 61 61 LYS HB3 H 1 2.0170 0.02 . 2 . . . . 57 LYS HB2 . 18189 1 710 . 1 1 61 61 LYS HG2 H 1 1.6400 0.02 . 2 . . . . 57 LYS HG1 . 18189 1 711 . 1 1 61 61 LYS HG3 H 1 1.4900 0.02 . 2 . . . . 57 LYS HG2 . 18189 1 712 . 1 1 61 61 LYS HD2 H 1 1.6480 0.02 . 2 . . . . 57 LYS HD1 . 18189 1 713 . 1 1 61 61 LYS HD3 H 1 1.7000 0.02 . 2 . . . . 57 LYS HD2 . 18189 1 714 . 1 1 61 61 LYS HE2 H 1 2.9620 0.02 . 2 . . . . 57 LYS HE1 . 18189 1 715 . 1 1 61 61 LYS HE3 H 1 2.9440 0.02 . 2 . . . . 57 LYS HE2 . 18189 1 716 . 1 1 61 61 LYS C C 13 179.0670 0.3 . 1 . . . . 57 LYS C . 18189 1 717 . 1 1 61 61 LYS CA C 13 59.4010 0.3 . 1 . . . . 57 LYS CA . 18189 1 718 . 1 1 61 61 LYS CB C 13 32.7190 0.3 . 1 . . . . 57 LYS CB . 18189 1 719 . 1 1 61 61 LYS CG C 13 24.9990 0.3 . 1 . . . . 57 LYS CG . 18189 1 720 . 1 1 61 61 LYS CD C 13 29.6320 0.3 . 1 . . . . 57 LYS CD . 18189 1 721 . 1 1 61 61 LYS CE C 13 41.9560 0.3 . 1 . . . . 57 LYS CE . 18189 1 722 . 1 1 61 61 LYS N N 15 120.4370 0.2 . 1 . . . . 57 LYS N . 18189 1 723 . 1 1 62 62 VAL H H 1 8.0740 0.02 . 1 . . . . 58 VAL HN . 18189 1 724 . 1 1 62 62 VAL HA H 1 3.7490 0.02 . 1 . . . . 58 VAL HA . 18189 1 725 . 1 1 62 62 VAL HB H 1 2.0670 0.02 . 1 . . . . 58 VAL HB . 18189 1 726 . 1 1 62 62 VAL HG11 H 1 0.9220 0.02 . 2 . . . . 58 VAL HG11 . 18189 1 727 . 1 1 62 62 VAL HG12 H 1 0.9220 0.02 . 2 . . . . 58 VAL HG11 . 18189 1 728 . 1 1 62 62 VAL HG13 H 1 0.9220 0.02 . 2 . . . . 58 VAL HG11 . 18189 1 729 . 1 1 62 62 VAL HG21 H 1 0.8900 0.02 . 2 . . . . 58 VAL HG21 . 18189 1 730 . 1 1 62 62 VAL HG22 H 1 0.8900 0.02 . 2 . . . . 58 VAL HG21 . 18189 1 731 . 1 1 62 62 VAL HG23 H 1 0.8900 0.02 . 2 . . . . 58 VAL HG21 . 18189 1 732 . 1 1 62 62 VAL C C 13 178.1270 0.3 . 1 . . . . 58 VAL C . 18189 1 733 . 1 1 62 62 VAL CA C 13 65.5180 0.3 . 1 . . . . 58 VAL CA . 18189 1 734 . 1 1 62 62 VAL CB C 13 32.0750 0.3 . 1 . . . . 58 VAL CB . 18189 1 735 . 1 1 62 62 VAL CG1 C 13 21.5430 0.3 . 2 . . . . 58 VAL CG1 . 18189 1 736 . 1 1 62 62 VAL CG2 C 13 23.3550 0.3 . 2 . . . . 58 VAL CG2 . 18189 1 737 . 1 1 62 62 VAL N N 15 119.3900 0.2 . 1 . . . . 58 VAL N . 18189 1 738 . 1 1 63 63 SER H H 1 8.2290 0.02 . 1 . . . . 59 SER HN . 18189 1 739 . 1 1 63 63 SER HA H 1 4.3220 0.02 . 1 . . . . 59 SER HA . 18189 1 740 . 1 1 63 63 SER HB2 H 1 3.9830 0.02 . 2 . . . . 59 SER HB1 . 18189 1 741 . 1 1 63 63 SER HB3 H 1 3.9830 0.02 . 2 . . . . 59 SER HB2 . 18189 1 742 . 1 1 63 63 SER C C 13 174.9890 0.3 . 1 . . . . 59 SER C . 18189 1 743 . 1 1 63 63 SER CA C 13 60.4630 0.3 . 1 . . . . 59 SER CA . 18189 1 744 . 1 1 63 63 SER CB C 13 63.4960 0.3 . 1 . . . . 59 SER CB . 18189 1 745 . 1 1 63 63 SER N N 15 116.4770 0.2 . 1 . . . . 59 SER N . 18189 1 746 . 1 1 64 64 ASN H H 1 8.0120 0.02 . 1 . . . . 60 ASN HN . 18189 1 747 . 1 1 64 64 ASN HA H 1 4.7470 0.02 . 1 . . . . 60 ASN HA . 18189 1 748 . 1 1 64 64 ASN HB2 H 1 2.8530 0.02 . 2 . . . . 60 ASN HB1 . 18189 1 749 . 1 1 64 64 ASN HB3 H 1 2.9770 0.02 . 2 . . . . 60 ASN HB2 . 18189 1 750 . 1 1 64 64 ASN HD21 H 1 7.6270 0.02 . 2 . . . . 60 ASN HD21 . 18189 1 751 . 1 1 64 64 ASN HD22 H 1 6.9330 0.02 . 2 . . . . 60 ASN HD22 . 18189 1 752 . 1 1 64 64 ASN C C 13 175.2100 0.3 . 1 . . . . 60 ASN C . 18189 1 753 . 1 1 64 64 ASN CA C 13 53.8070 0.3 . 1 . . . . 60 ASN CA . 18189 1 754 . 1 1 64 64 ASN CB C 13 38.8660 0.3 . 1 . . . . 60 ASN CB . 18189 1 755 . 1 1 64 64 ASN N N 15 119.5190 0.2 . 1 . . . . 60 ASN N . 18189 1 756 . 1 1 64 64 ASN ND2 N 15 113.3750 0.2 . 1 . . . . 60 ASN ND2 . 18189 1 757 . 1 1 65 65 ASN H H 1 8.1300 0.02 . 1 . . . . 61 ASN HN . 18189 1 758 . 1 1 65 65 ASN HA H 1 4.8370 0.02 . 1 . . . . 61 ASN HA . 18189 1 759 . 1 1 65 65 ASN HB2 H 1 2.9040 0.02 . 2 . . . . 61 ASN HB1 . 18189 1 760 . 1 1 65 65 ASN HB3 H 1 2.9790 0.02 . 2 . . . . 61 ASN HB2 . 18189 1 761 . 1 1 65 65 ASN HD21 H 1 7.7110 0.02 . 2 . . . . 61 ASN HD21 . 18189 1 762 . 1 1 65 65 ASN HD22 H 1 7.0030 0.02 . 2 . . . . 61 ASN HD22 . 18189 1 763 . 1 1 65 65 ASN C C 13 175.6060 0.3 . 1 . . . . 61 ASN C . 18189 1 764 . 1 1 65 65 ASN CA C 13 53.7090 0.3 . 1 . . . . 61 ASN CA . 18189 1 765 . 1 1 65 65 ASN CB C 13 38.9030 0.3 . 1 . . . . 61 ASN CB . 18189 1 766 . 1 1 65 65 ASN N N 15 119.5370 0.2 . 1 . . . . 61 ASN N . 18189 1 767 . 1 1 65 65 ASN ND2 N 15 112.9930 0.2 . 1 . . . . 61 ASN ND2 . 18189 1 768 . 1 1 66 66 THR H H 1 8.1520 0.02 . 1 . . . . 62 THR HN . 18189 1 769 . 1 1 66 66 THR HA H 1 4.4620 0.02 . 1 . . . . 62 THR HA . 18189 1 770 . 1 1 66 66 THR HB H 1 4.3760 0.02 . 1 . . . . 62 THR HB . 18189 1 771 . 1 1 66 66 THR HG21 H 1 1.2500 0.02 . 1 . . . . 62 THR HG21 . 18189 1 772 . 1 1 66 66 THR HG22 H 1 1.2500 0.02 . 1 . . . . 62 THR HG21 . 18189 1 773 . 1 1 66 66 THR HG23 H 1 1.2500 0.02 . 1 . . . . 62 THR HG21 . 18189 1 774 . 1 1 66 66 THR C C 13 174.0730 0.3 . 1 . . . . 62 THR C . 18189 1 775 . 1 1 66 66 THR CA C 13 61.8600 0.3 . 1 . . . . 62 THR CA . 18189 1 776 . 1 1 66 66 THR CB C 13 69.9930 0.3 . 1 . . . . 62 THR CB . 18189 1 777 . 1 1 66 66 THR CG2 C 13 21.1540 0.3 . 1 . . . . 62 THR CG2 . 18189 1 778 . 1 1 66 66 THR N N 15 114.5220 0.2 . 1 . . . . 62 THR N . 18189 1 779 . 1 1 67 67 SER H H 1 8.0510 0.02 . 1 . . . . 63 SER HN . 18189 1 780 . 1 1 67 67 SER HA H 1 4.3210 0.02 . 1 . . . . 63 SER HA . 18189 1 781 . 1 1 67 67 SER HB2 H 1 3.8970 0.02 . 2 . . . . 63 SER HB1 . 18189 1 782 . 1 1 67 67 SER HB3 H 1 3.8970 0.02 . 2 . . . . 63 SER HB2 . 18189 1 783 . 1 1 67 67 SER CA C 13 60.2000 0.3 . 1 . . . . 63 SER CA . 18189 1 784 . 1 1 67 67 SER CB C 13 64.9370 0.3 . 1 . . . . 63 SER CB . 18189 1 785 . 1 1 67 67 SER N N 15 124.2700 0.2 . 1 . . . . 63 SER N . 18189 1 stop_ save_