data_34535 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34535 _Entry.Title ; Human TFIIS N-terminal domain (TND) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-23 _Entry.Accession_date 2020-07-23 _Entry.Last_release_date 2020-08-17 _Entry.Original_release_date 2020-08-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 V. Veverka V. . . . 34535 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID TRANSCRIPTION . 34535 'elongation factor' . 34535 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34535 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 357 34535 '15N chemical shifts' 83 34535 '1H chemical shifts' 609 34535 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-15 2020-07-23 update BMRB 'update entry citation' 34535 1 . . 2021-11-28 2020-07-23 original author 'original release' 34535 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZUY 'BMRB Entry Tracking System' 34535 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34535 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34822292 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A ubiquitous disordered protein interaction module orchestrates transcription elongation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 374 _Citation.Journal_issue 6571 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _Citation.Journal_CSD 0353 _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 1113 _Citation.Page_last 1121 _Citation.Year 2021 _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 Katerina Cermakova K. . . . 34535 1 2 Jonas Demeulemeester J. . . . 34535 1 3 Vanda Lux V. . . . 34535 1 4 Monika Nedomova M. . . . 34535 1 5 Seth Goldman S. R. . . 34535 1 6 Eric Smith E. A. . . 34535 1 7 Pavel Srb P. . . . 34535 1 8 Rozalie Hexnerova R. . . . 34535 1 9 Milan Fabry M. . . . 34535 1 10 Marcela Madlikova M. . . . 34535 1 11 Magdalena Horejsi M. . . . 34535 1 12 Jan 'De Rijck' J. . . . 34535 1 13 Zeger Debyser Z. . . . 34535 1 14 Karen Adelman K. . . . 34535 1 15 'H Courtney' Hodges H. C. . . 34535 1 16 Vaclav Veverka V. . . . 34535 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34535 _Assembly.ID 1 _Assembly.Name 'Transcription elongation factor A protein 1' _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 unit_1 1 $entity_1 A A yes . . . . . . 34535 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34535 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEDEVVRFAKKMDKMVQKKN AAGALDLLKELKNIPMTLEL LQSTRIGMSVNAIRKQSTDE EVTSLAKSLIKSWKKLLDGG S ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9064.700 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transcription elongation factor S-II protein 1' common 34535 1 'Transcription elongation factor TFIIS.o' common 34535 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 . MET . 34535 1 2 . GLU . 34535 1 3 . ASP . 34535 1 4 . GLU . 34535 1 5 . VAL . 34535 1 6 . VAL . 34535 1 7 . ARG . 34535 1 8 . PHE . 34535 1 9 . ALA . 34535 1 10 . LYS . 34535 1 11 . LYS . 34535 1 12 . MET . 34535 1 13 . ASP . 34535 1 14 . LYS . 34535 1 15 . MET . 34535 1 16 . VAL . 34535 1 17 . GLN . 34535 1 18 . LYS . 34535 1 19 . LYS . 34535 1 20 . ASN . 34535 1 21 . ALA . 34535 1 22 . ALA . 34535 1 23 . GLY . 34535 1 24 . ALA . 34535 1 25 . LEU . 34535 1 26 . ASP . 34535 1 27 . LEU . 34535 1 28 . LEU . 34535 1 29 . LYS . 34535 1 30 . GLU . 34535 1 31 . LEU . 34535 1 32 . LYS . 34535 1 33 . ASN . 34535 1 34 . ILE . 34535 1 35 . PRO . 34535 1 36 . MET . 34535 1 37 . THR . 34535 1 38 . LEU . 34535 1 39 . GLU . 34535 1 40 . LEU . 34535 1 41 . LEU . 34535 1 42 . GLN . 34535 1 43 . SER . 34535 1 44 . THR . 34535 1 45 . ARG . 34535 1 46 . ILE . 34535 1 47 . GLY . 34535 1 48 . MET . 34535 1 49 . SER . 34535 1 50 . VAL . 34535 1 51 . ASN . 34535 1 52 . ALA . 34535 1 53 . ILE . 34535 1 54 . ARG . 34535 1 55 . LYS . 34535 1 56 . GLN . 34535 1 57 . SER . 34535 1 58 . THR . 34535 1 59 . ASP . 34535 1 60 . GLU . 34535 1 61 . GLU . 34535 1 62 . VAL . 34535 1 63 . THR . 34535 1 64 . SER . 34535 1 65 . LEU . 34535 1 66 . ALA . 34535 1 67 . LYS . 34535 1 68 . SER . 34535 1 69 . LEU . 34535 1 70 . ILE . 34535 1 71 . LYS . 34535 1 72 . SER . 34535 1 73 . TRP . 34535 1 74 . LYS . 34535 1 75 . LYS . 34535 1 76 . LEU . 34535 1 77 . LEU . 34535 1 78 . ASP . 34535 1 79 . GLY . 34535 1 80 . GLY . 34535 1 81 . SER . 34535 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 34535 1 . GLU 2 2 34535 1 . ASP 3 3 34535 1 . GLU 4 4 34535 1 . VAL 5 5 34535 1 . VAL 6 6 34535 1 . ARG 7 7 34535 1 . PHE 8 8 34535 1 . ALA 9 9 34535 1 . LYS 10 10 34535 1 . LYS 11 11 34535 1 . MET 12 12 34535 1 . ASP 13 13 34535 1 . LYS 14 14 34535 1 . MET 15 15 34535 1 . VAL 16 16 34535 1 . GLN 17 17 34535 1 . LYS 18 18 34535 1 . LYS 19 19 34535 1 . ASN 20 20 34535 1 . ALA 21 21 34535 1 . ALA 22 22 34535 1 . GLY 23 23 34535 1 . ALA 24 24 34535 1 . LEU 25 25 34535 1 . ASP 26 26 34535 1 . LEU 27 27 34535 1 . LEU 28 28 34535 1 . LYS 29 29 34535 1 . GLU 30 30 34535 1 . LEU 31 31 34535 1 . LYS 32 32 34535 1 . ASN 33 33 34535 1 . ILE 34 34 34535 1 . PRO 35 35 34535 1 . MET 36 36 34535 1 . THR 37 37 34535 1 . LEU 38 38 34535 1 . GLU 39 39 34535 1 . LEU 40 40 34535 1 . LEU 41 41 34535 1 . GLN 42 42 34535 1 . SER 43 43 34535 1 . THR 44 44 34535 1 . ARG 45 45 34535 1 . ILE 46 46 34535 1 . GLY 47 47 34535 1 . MET 48 48 34535 1 . SER 49 49 34535 1 . VAL 50 50 34535 1 . ASN 51 51 34535 1 . ALA 52 52 34535 1 . ILE 53 53 34535 1 . ARG 54 54 34535 1 . LYS 55 55 34535 1 . GLN 56 56 34535 1 . SER 57 57 34535 1 . THR 58 58 34535 1 . ASP 59 59 34535 1 . GLU 60 60 34535 1 . GLU 61 61 34535 1 . VAL 62 62 34535 1 . THR 63 63 34535 1 . SER 64 64 34535 1 . LEU 65 65 34535 1 . ALA 66 66 34535 1 . LYS 67 67 34535 1 . SER 68 68 34535 1 . LEU 69 69 34535 1 . ILE 70 70 34535 1 . LYS 71 71 34535 1 . SER 72 72 34535 1 . TRP 73 73 34535 1 . LYS 74 74 34535 1 . LYS 75 75 34535 1 . LEU 76 76 34535 1 . LEU 77 77 34535 1 . ASP 78 78 34535 1 . GLY 79 79 34535 1 . GLY 80 80 34535 1 . SER 81 81 34535 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 34535 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TCEA1, GTF2S, TFIIS' . 34535 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 34535 _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' . . 562 Escherichia coli . . . . . . . . . . 34535 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34535 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-13C; U-15N] TFIIS, 25 mM deuterated TRIS, 200 mM sodium phospate, 1 mM TCEP, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 TFIIS '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34535 1 2 TRIS deuterated . . . . . . 25 . . mM . . . . 34535 1 3 'sodium phospate' 'natural abundance' . . . . . . 200 . . mM . . . . 34535 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34535 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 34535 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 225 . mM 34535 1 pH 7.4 . pH 34535 1 pressure 1 . atm 34535 1 temperature 298 . K 34535 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34535 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34535 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34535 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34535 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34535 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34535 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34535 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34535 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34535 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34535 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Yasara . . 34535 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34535 4 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 34535 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34535 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 850 . . . 34535 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 34535 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34535 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 34535 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34535 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34535 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34535 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 34535 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 34535 1 2 '3D CBCA(CO)NH' . . . 34535 1 3 '3D HNCO' . . . 34535 1 4 '3D HBHA(CO)NH' . . . 34535 1 5 '3D HCCH-TOCSY' . . . 34535 1 6 '3D 1H-15N NOESY' . . . 34535 1 7 '3D 1H-13C NOESY' . . . 34535 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.582 0.00 . . . . . . A 1 MET H1 . 34535 1 2 . 1 . 1 1 1 MET HA H 1 4.453 0.00 . . . . . . A 1 MET HA . 34535 1 3 . 1 . 1 1 1 MET HB2 H 1 2.571 0.00 . . . . . . A 1 MET HB2 . 34535 1 4 . 1 . 1 1 1 MET HB3 H 1 2.661 0.00 . . . . . . A 1 MET HB3 . 34535 1 5 . 1 . 1 1 1 MET HG2 H 1 2.082 0.00 . . . . . . A 1 MET HG2 . 34535 1 6 . 1 . 1 1 1 MET HG3 H 1 2.182 0.00 . . . . . . A 1 MET HG3 . 34535 1 7 . 1 . 1 1 1 MET HE1 H 1 2.100 0.00 . . . . . . A 1 MET HE1 . 34535 1 8 . 1 . 1 1 1 MET HE2 H 1 2.100 0.00 . . . . . . A 1 MET HE2 . 34535 1 9 . 1 . 1 1 1 MET HE3 H 1 2.100 0.00 . . . . . . A 1 MET HE3 . 34535 1 10 . 1 . 1 1 1 MET C C 13 177.502 0.00 . . . . . . A 1 MET C . 34535 1 11 . 1 . 1 1 1 MET CA C 13 57.461 0.02 . . . . . . A 1 MET CA . 34535 1 12 . 1 . 1 1 1 MET CB C 13 32.202 0.00 . . . . . . A 1 MET CB . 34535 1 13 . 1 . 1 1 1 MET CG C 13 32.242 0.03 . . . . . . A 1 MET CG . 34535 1 14 . 1 . 1 1 1 MET CE C 13 17.083 0.00 . . . . . . A 1 MET CE . 34535 1 15 . 1 . 1 1 1 MET N N 15 122.821 0.01 . . . . . . A 1 MET N . 34535 1 16 . 1 . 1 2 2 GLU H H 1 8.375 0.00 . . . . . . A 2 GLU H . 34535 1 17 . 1 . 1 2 2 GLU HA H 1 3.684 0.00 . . . . . . A 2 GLU HA . 34535 1 18 . 1 . 1 2 2 GLU HB2 H 1 1.933 0.00 . . . . . . A 2 GLU HB2 . 34535 1 19 . 1 . 1 2 2 GLU HB3 H 1 2.003 0.00 . . . . . . A 2 GLU HB3 . 34535 1 20 . 1 . 1 2 2 GLU HG2 H 1 2.054 0.00 . . . . . . A 2 GLU HG2 . 34535 1 21 . 1 . 1 2 2 GLU HG3 H 1 2.164 0.00 . . . . . . A 2 GLU HG3 . 34535 1 22 . 1 . 1 2 2 GLU C C 13 177.287 0.00 . . . . . . A 2 GLU C . 34535 1 23 . 1 . 1 2 2 GLU CA C 13 60.543 0.03 . . . . . . A 2 GLU CA . 34535 1 24 . 1 . 1 2 2 GLU CB C 13 29.504 0.03 . . . . . . A 2 GLU CB . 34535 1 25 . 1 . 1 2 2 GLU CG C 13 36.447 0.02 . . . . . . A 2 GLU CG . 34535 1 26 . 1 . 1 2 2 GLU N N 15 119.900 0.00 . . . . . . A 2 GLU N . 34535 1 27 . 1 . 1 3 3 ASP H H 1 7.924 0.00 . . . . . . A 3 ASP H . 34535 1 28 . 1 . 1 3 3 ASP HA H 1 4.297 0.00 . . . . . . A 3 ASP HA . 34535 1 29 . 1 . 1 3 3 ASP HB2 H 1 2.781 0.00 . . . . . . A 3 ASP HB2 . 34535 1 30 . 1 . 1 3 3 ASP HB3 H 1 2.622 0.00 . . . . . . A 3 ASP HB3 . 34535 1 31 . 1 . 1 3 3 ASP C C 13 178.991 0.00 . . . . . . A 3 ASP C . 34535 1 32 . 1 . 1 3 3 ASP CA C 13 57.257 0.01 . . . . . . A 3 ASP CA . 34535 1 33 . 1 . 1 3 3 ASP CB C 13 40.648 0.00 . . . . . . A 3 ASP CB . 34535 1 34 . 1 . 1 3 3 ASP N N 15 117.401 0.01 . . . . . . A 3 ASP N . 34535 1 35 . 1 . 1 4 4 GLU H H 1 7.924 0.00 . . . . . . A 4 GLU H . 34535 1 36 . 1 . 1 4 4 GLU HA H 1 3.996 0.00 . . . . . . A 4 GLU HA . 34535 1 37 . 1 . 1 4 4 GLU HB2 H 1 2.160 0.00 . . . . . . A 4 GLU HB2 . 34535 1 38 . 1 . 1 4 4 GLU HB3 H 1 2.003 0.00 . . . . . . A 4 GLU HB3 . 34535 1 39 . 1 . 1 4 4 GLU HG2 H 1 2.222 0.00 . . . . . . A 4 GLU HG2 . 34535 1 40 . 1 . 1 4 4 GLU HG3 H 1 2.222 0.00 . . . . . . A 4 GLU HG3 . 34535 1 41 . 1 . 1 4 4 GLU C C 13 178.196 0.00 . . . . . . A 4 GLU C . 34535 1 42 . 1 . 1 4 4 GLU CA C 13 59.084 0.03 . . . . . . A 4 GLU CA . 34535 1 43 . 1 . 1 4 4 GLU CB C 13 29.594 0.03 . . . . . . A 4 GLU CB . 34535 1 44 . 1 . 1 4 4 GLU CG C 13 35.968 0.01 . . . . . . A 4 GLU CG . 34535 1 45 . 1 . 1 4 4 GLU N N 15 119.972 0.01 . . . . . . A 4 GLU N . 34535 1 46 . 1 . 1 5 5 VAL H H 1 8.260 0.00 . . . . . . A 5 VAL H . 34535 1 47 . 1 . 1 5 5 VAL HA H 1 3.679 0.00 . . . . . . A 5 VAL HA . 34535 1 48 . 1 . 1 5 5 VAL HB H 1 2.216 0.00 . . . . . . A 5 VAL HB . 34535 1 49 . 1 . 1 5 5 VAL HG11 H 1 0.947 0.00 . . . . . . A 5 VAL HG11 . 34535 1 50 . 1 . 1 5 5 VAL HG12 H 1 0.947 0.00 . . . . . . A 5 VAL HG12 . 34535 1 51 . 1 . 1 5 5 VAL HG13 H 1 0.947 0.00 . . . . . . A 5 VAL HG13 . 34535 1 52 . 1 . 1 5 5 VAL HG21 H 1 1.095 0.00 . . . . . . A 5 VAL HG21 . 34535 1 53 . 1 . 1 5 5 VAL HG22 H 1 1.095 0.00 . . . . . . A 5 VAL HG22 . 34535 1 54 . 1 . 1 5 5 VAL HG23 H 1 1.095 0.00 . . . . . . A 5 VAL HG23 . 34535 1 55 . 1 . 1 5 5 VAL C C 13 178.081 0.01 . . . . . . A 5 VAL C . 34535 1 56 . 1 . 1 5 5 VAL CA C 13 67.885 0.01 . . . . . . A 5 VAL CA . 34535 1 57 . 1 . 1 5 5 VAL CB C 13 31.263 0.01 . . . . . . A 5 VAL CB . 34535 1 58 . 1 . 1 5 5 VAL CG1 C 13 23.218 0.02 . . . . . . A 5 VAL CG1 . 34535 1 59 . 1 . 1 5 5 VAL CG2 C 13 24.627 0.01 . . . . . . A 5 VAL CG2 . 34535 1 60 . 1 . 1 5 5 VAL N N 15 119.167 0.02 . . . . . . A 5 VAL N . 34535 1 61 . 1 . 1 6 6 VAL H H 1 8.503 0.00 . . . . . . A 6 VAL H . 34535 1 62 . 1 . 1 6 6 VAL HA H 1 3.710 0.00 . . . . . . A 6 VAL HA . 34535 1 63 . 1 . 1 6 6 VAL HB H 1 2.211 0.00 . . . . . . A 6 VAL HB . 34535 1 64 . 1 . 1 6 6 VAL HG11 H 1 1.005 0.00 . . . . . . A 6 VAL HG11 . 34535 1 65 . 1 . 1 6 6 VAL HG12 H 1 1.005 0.00 . . . . . . A 6 VAL HG12 . 34535 1 66 . 1 . 1 6 6 VAL HG13 H 1 1.005 0.00 . . . . . . A 6 VAL HG13 . 34535 1 67 . 1 . 1 6 6 VAL HG21 H 1 1.148 0.00 . . . . . . A 6 VAL HG21 . 34535 1 68 . 1 . 1 6 6 VAL HG22 H 1 1.148 0.00 . . . . . . A 6 VAL HG22 . 34535 1 69 . 1 . 1 6 6 VAL HG23 H 1 1.148 0.00 . . . . . . A 6 VAL HG23 . 34535 1 70 . 1 . 1 6 6 VAL C C 13 178.141 0.01 . . . . . . A 6 VAL C . 34535 1 71 . 1 . 1 6 6 VAL CA C 13 67.096 0.05 . . . . . . A 6 VAL CA . 34535 1 72 . 1 . 1 6 6 VAL CB C 13 31.664 0.04 . . . . . . A 6 VAL CB . 34535 1 73 . 1 . 1 6 6 VAL CG1 C 13 21.292 0.03 . . . . . . A 6 VAL CG1 . 34535 1 74 . 1 . 1 6 6 VAL CG2 C 13 23.748 0.05 . . . . . . A 6 VAL CG2 . 34535 1 75 . 1 . 1 6 6 VAL N N 15 120.728 0.01 . . . . . . A 6 VAL N . 34535 1 76 . 1 . 1 7 7 ARG H H 1 7.789 0.00 . . . . . . A 7 ARG H . 34535 1 77 . 1 . 1 7 7 ARG HA H 1 3.994 0.00 . . . . . . A 7 ARG HA . 34535 1 78 . 1 . 1 7 7 ARG HB2 H 1 1.927 0.00 . . . . . . A 7 ARG HB2 . 34535 1 79 . 1 . 1 7 7 ARG HB3 H 1 1.846 0.00 . . . . . . A 7 ARG HB3 . 34535 1 80 . 1 . 1 7 7 ARG HG2 H 1 1.788 0.00 . . . . . . A 7 ARG HG2 . 34535 1 81 . 1 . 1 7 7 ARG HG3 H 1 1.465 0.00 . . . . . . A 7 ARG HG3 . 34535 1 82 . 1 . 1 7 7 ARG HD2 H 1 3.167 0.00 . . . . . . A 7 ARG HD2 . 34535 1 83 . 1 . 1 7 7 ARG HD3 H 1 3.167 0.00 . . . . . . A 7 ARG HD3 . 34535 1 84 . 1 . 1 7 7 ARG C C 13 180.189 0.01 . . . . . . A 7 ARG C . 34535 1 85 . 1 . 1 7 7 ARG CA C 13 60.368 0.03 . . . . . . A 7 ARG CA . 34535 1 86 . 1 . 1 7 7 ARG CB C 13 29.945 0.02 . . . . . . A 7 ARG CB . 34535 1 87 . 1 . 1 7 7 ARG CG C 13 28.342 0.03 . . . . . . A 7 ARG CG . 34535 1 88 . 1 . 1 7 7 ARG CD C 13 43.668 0.03 . . . . . . A 7 ARG CD . 34535 1 89 . 1 . 1 7 7 ARG N N 15 119.709 0.01 . . . . . . A 7 ARG N . 34535 1 90 . 1 . 1 8 8 PHE H H 1 8.258 0.00 . . . . . . A 8 PHE H . 34535 1 91 . 1 . 1 8 8 PHE HA H 1 4.370 0.00 . . . . . . A 8 PHE HA . 34535 1 92 . 1 . 1 8 8 PHE HB2 H 1 3.481 0.00 . . . . . . A 8 PHE HB2 . 34535 1 93 . 1 . 1 8 8 PHE HB3 H 1 3.012 0.00 . . . . . . A 8 PHE HB3 . 34535 1 94 . 1 . 1 8 8 PHE HD1 H 1 7.203 0.00 . . . . . . A 8 PHE HD1 . 34535 1 95 . 1 . 1 8 8 PHE HD2 H 1 7.203 0.00 . . . . . . A 8 PHE HD2 . 34535 1 96 . 1 . 1 8 8 PHE HE1 H 1 7.388 0.00 . . . . . . A 8 PHE HE1 . 34535 1 97 . 1 . 1 8 8 PHE HE2 H 1 7.388 0.00 . . . . . . A 8 PHE HE2 . 34535 1 98 . 1 . 1 8 8 PHE HZ H 1 7.336 0.00 . . . . . . A 8 PHE HZ . 34535 1 99 . 1 . 1 8 8 PHE C C 13 177.891 0.00 . . . . . . A 8 PHE C . 34535 1 100 . 1 . 1 8 8 PHE CA C 13 61.207 0.01 . . . . . . A 8 PHE CA . 34535 1 101 . 1 . 1 8 8 PHE CB C 13 38.863 0.01 . . . . . . A 8 PHE CB . 34535 1 102 . 1 . 1 8 8 PHE CD1 C 13 130.775 0.00 . . . . . . A 8 PHE CD1 . 34535 1 103 . 1 . 1 8 8 PHE CE1 C 13 131.541 0.00 . . . . . . A 8 PHE CE1 . 34535 1 104 . 1 . 1 8 8 PHE CZ C 13 130.543 0.00 . . . . . . A 8 PHE CZ . 34535 1 105 . 1 . 1 8 8 PHE N N 15 118.706 0.01 . . . . . . A 8 PHE N . 34535 1 106 . 1 . 1 9 9 ALA H H 1 8.568 0.00 . . . . . . A 9 ALA H . 34535 1 107 . 1 . 1 9 9 ALA HA H 1 4.018 0.00 . . . . . . A 9 ALA HA . 34535 1 108 . 1 . 1 9 9 ALA HB1 H 1 1.633 0.00 . . . . . . A 9 ALA HB1 . 34535 1 109 . 1 . 1 9 9 ALA HB2 H 1 1.633 0.00 . . . . . . A 9 ALA HB2 . 34535 1 110 . 1 . 1 9 9 ALA HB3 H 1 1.633 0.00 . . . . . . A 9 ALA HB3 . 34535 1 111 . 1 . 1 9 9 ALA C C 13 179.168 0.00 . . . . . . A 9 ALA C . 34535 1 112 . 1 . 1 9 9 ALA CA C 13 56.136 0.00 . . . . . . A 9 ALA CA . 34535 1 113 . 1 . 1 9 9 ALA CB C 13 17.671 0.04 . . . . . . A 9 ALA CB . 34535 1 114 . 1 . 1 9 9 ALA N N 15 123.058 0.01 . . . . . . A 9 ALA N . 34535 1 115 . 1 . 1 10 10 LYS H H 1 8.484 0.00 . . . . . . A 10 LYS H . 34535 1 116 . 1 . 1 10 10 LYS HA H 1 4.109 0.00 . . . . . . A 10 LYS HA . 34535 1 117 . 1 . 1 10 10 LYS HB2 H 1 1.900 0.00 . . . . . . A 10 LYS HB2 . 34535 1 118 . 1 . 1 10 10 LYS HB3 H 1 1.974 0.00 . . . . . . A 10 LYS HB3 . 34535 1 119 . 1 . 1 10 10 LYS HG2 H 1 1.722 0.00 . . . . . . A 10 LYS HG2 . 34535 1 120 . 1 . 1 10 10 LYS HG3 H 1 1.547 0.00 . . . . . . A 10 LYS HG3 . 34535 1 121 . 1 . 1 10 10 LYS HD2 H 1 1.717 0.00 . . . . . . A 10 LYS HD2 . 34535 1 122 . 1 . 1 10 10 LYS HD3 H 1 1.679 0.00 . . . . . . A 10 LYS HD3 . 34535 1 123 . 1 . 1 10 10 LYS HE2 H 1 2.935 0.00 . . . . . . A 10 LYS HE2 . 34535 1 124 . 1 . 1 10 10 LYS HE3 H 1 2.935 0.00 . . . . . . A 10 LYS HE3 . 34535 1 125 . 1 . 1 10 10 LYS C C 13 180.413 0.00 . . . . . . A 10 LYS C . 34535 1 126 . 1 . 1 10 10 LYS CA C 13 59.442 0.04 . . . . . . A 10 LYS CA . 34535 1 127 . 1 . 1 10 10 LYS CB C 13 32.444 0.01 . . . . . . A 10 LYS CB . 34535 1 128 . 1 . 1 10 10 LYS CG C 13 25.704 0.15 . . . . . . A 10 LYS CG . 34535 1 129 . 1 . 1 10 10 LYS CD C 13 29.319 0.10 . . . . . . A 10 LYS CD . 34535 1 130 . 1 . 1 10 10 LYS N N 15 116.701 0.01 . . . . . . A 10 LYS N . 34535 1 131 . 1 . 1 11 11 LYS H H 1 8.050 0.00 . . . . . . A 11 LYS H . 34535 1 132 . 1 . 1 11 11 LYS HA H 1 4.081 0.00 . . . . . . A 11 LYS HA . 34535 1 133 . 1 . 1 11 11 LYS HB2 H 1 1.899 0.00 . . . . . . A 11 LYS HB2 . 34535 1 134 . 1 . 1 11 11 LYS HB3 H 1 2.060 0.00 . . . . . . A 11 LYS HB3 . 34535 1 135 . 1 . 1 11 11 LYS HG2 H 1 1.491 0.00 . . . . . . A 11 LYS HG2 . 34535 1 136 . 1 . 1 11 11 LYS HG3 H 1 1.726 0.00 . . . . . . A 11 LYS HG3 . 34535 1 137 . 1 . 1 11 11 LYS HD2 H 1 1.716 0.00 . . . . . . A 11 LYS HD2 . 34535 1 138 . 1 . 1 11 11 LYS HD3 H 1 1.647 0.00 . . . . . . A 11 LYS HD3 . 34535 1 139 . 1 . 1 11 11 LYS HE2 H 1 2.934 0.00 . . . . . . A 11 LYS HE2 . 34535 1 140 . 1 . 1 11 11 LYS HE3 H 1 2.934 0.00 . . . . . . A 11 LYS HE3 . 34535 1 141 . 1 . 1 11 11 LYS C C 13 179.995 0.00 . . . . . . A 11 LYS C . 34535 1 142 . 1 . 1 11 11 LYS CA C 13 59.972 0.00 . . . . . . A 11 LYS CA . 34535 1 143 . 1 . 1 11 11 LYS CB C 13 33.164 0.01 . . . . . . A 11 LYS CB . 34535 1 144 . 1 . 1 11 11 LYS CG C 13 26.057 0.04 . . . . . . A 11 LYS CG . 34535 1 145 . 1 . 1 11 11 LYS CD C 13 29.837 0.02 . . . . . . A 11 LYS CD . 34535 1 146 . 1 . 1 11 11 LYS N N 15 119.921 0.00 . . . . . . A 11 LYS N . 34535 1 147 . 1 . 1 12 12 MET H H 1 8.478 0.00 . . . . . . A 12 MET H . 34535 1 148 . 1 . 1 12 12 MET HA H 1 4.171 0.00 . . . . . . A 12 MET HA . 34535 1 149 . 1 . 1 12 12 MET HB2 H 1 2.411 0.00 . . . . . . A 12 MET HB2 . 34535 1 150 . 1 . 1 12 12 MET HB3 H 1 1.990 0.00 . . . . . . A 12 MET HB3 . 34535 1 151 . 1 . 1 12 12 MET HG2 H 1 2.861 0.00 . . . . . . A 12 MET HG2 . 34535 1 152 . 1 . 1 12 12 MET HG3 H 1 2.361 0.00 . . . . . . A 12 MET HG3 . 34535 1 153 . 1 . 1 12 12 MET HE1 H 1 1.975 0.00 . . . . . . A 12 MET HE1 . 34535 1 154 . 1 . 1 12 12 MET HE2 H 1 1.975 0.00 . . . . . . A 12 MET HE2 . 34535 1 155 . 1 . 1 12 12 MET HE3 H 1 1.975 0.00 . . . . . . A 12 MET HE3 . 34535 1 156 . 1 . 1 12 12 MET C C 13 177.764 0.00 . . . . . . A 12 MET C . 34535 1 157 . 1 . 1 12 12 MET CA C 13 59.867 0.02 . . . . . . A 12 MET CA . 34535 1 158 . 1 . 1 12 12 MET CB C 13 33.271 0.03 . . . . . . A 12 MET CB . 34535 1 159 . 1 . 1 12 12 MET CG C 13 34.525 0.04 . . . . . . A 12 MET CG . 34535 1 160 . 1 . 1 12 12 MET CE C 13 18.409 0.00 . . . . . . A 12 MET CE . 34535 1 161 . 1 . 1 12 12 MET N N 15 120.006 0.00 . . . . . . A 12 MET N . 34535 1 162 . 1 . 1 13 13 ASP H H 1 8.799 0.00 . . . . . . A 13 ASP H . 34535 1 163 . 1 . 1 13 13 ASP HA H 1 4.374 0.00 . . . . . . A 13 ASP HA . 34535 1 164 . 1 . 1 13 13 ASP HB2 H 1 2.847 0.00 . . . . . . A 13 ASP HB2 . 34535 1 165 . 1 . 1 13 13 ASP HB3 H 1 2.675 0.00 . . . . . . A 13 ASP HB3 . 34535 1 166 . 1 . 1 13 13 ASP C C 13 179.491 0.00 . . . . . . A 13 ASP C . 34535 1 167 . 1 . 1 13 13 ASP CA C 13 57.539 0.01 . . . . . . A 13 ASP CA . 34535 1 168 . 1 . 1 13 13 ASP CB C 13 40.008 0.01 . . . . . . A 13 ASP CB . 34535 1 169 . 1 . 1 13 13 ASP N N 15 120.422 0.01 . . . . . . A 13 ASP N . 34535 1 170 . 1 . 1 14 14 LYS H H 1 7.695 0.00 . . . . . . A 14 LYS H . 34535 1 171 . 1 . 1 14 14 LYS HA H 1 4.118 0.00 . . . . . . A 14 LYS HA . 34535 1 172 . 1 . 1 14 14 LYS HB2 H 1 1.985 0.00 . . . . . . A 14 LYS HB2 . 34535 1 173 . 1 . 1 14 14 LYS HB3 H 1 1.985 0.00 . . . . . . A 14 LYS HB3 . 34535 1 174 . 1 . 1 14 14 LYS HG2 H 1 1.535 0.00 . . . . . . A 14 LYS HG2 . 34535 1 175 . 1 . 1 14 14 LYS HG3 H 1 1.632 0.00 . . . . . . A 14 LYS HG3 . 34535 1 176 . 1 . 1 14 14 LYS HD2 H 1 1.746 0.00 . . . . . . A 14 LYS HD2 . 34535 1 177 . 1 . 1 14 14 LYS HD3 H 1 1.746 0.00 . . . . . . A 14 LYS HD3 . 34535 1 178 . 1 . 1 14 14 LYS HE2 H 1 3.012 0.00 . . . . . . A 14 LYS HE2 . 34535 1 179 . 1 . 1 14 14 LYS HE3 H 1 3.012 0.00 . . . . . . A 14 LYS HE3 . 34535 1 180 . 1 . 1 14 14 LYS C C 13 178.687 0.00 . . . . . . A 14 LYS C . 34535 1 181 . 1 . 1 14 14 LYS CA C 13 59.165 0.03 . . . . . . A 14 LYS CA . 34535 1 182 . 1 . 1 14 14 LYS CB C 13 31.953 0.02 . . . . . . A 14 LYS CB . 34535 1 183 . 1 . 1 14 14 LYS CG C 13 25.115 0.08 . . . . . . A 14 LYS CG . 34535 1 184 . 1 . 1 14 14 LYS CD C 13 28.963 0.00 . . . . . . A 14 LYS CD . 34535 1 185 . 1 . 1 14 14 LYS N N 15 119.928 0.01 . . . . . . A 14 LYS N . 34535 1 186 . 1 . 1 15 15 MET H H 1 7.757 0.00 . . . . . . A 15 MET H . 34535 1 187 . 1 . 1 15 15 MET HA H 1 4.074 0.00 . . . . . . A 15 MET HA . 34535 1 188 . 1 . 1 15 15 MET HB2 H 1 2.388 0.00 . . . . . . A 15 MET HB2 . 34535 1 189 . 1 . 1 15 15 MET HB3 H 1 2.007 0.00 . . . . . . A 15 MET HB3 . 34535 1 190 . 1 . 1 15 15 MET HG2 H 1 2.861 0.00 . . . . . . A 15 MET HG2 . 34535 1 191 . 1 . 1 15 15 MET HG3 H 1 2.767 0.00 . . . . . . A 15 MET HG3 . 34535 1 192 . 1 . 1 15 15 MET HE1 H 1 1.967 0.00 . . . . . . A 15 MET HE1 . 34535 1 193 . 1 . 1 15 15 MET HE2 H 1 1.967 0.00 . . . . . . A 15 MET HE2 . 34535 1 194 . 1 . 1 15 15 MET HE3 H 1 1.967 0.00 . . . . . . A 15 MET HE3 . 34535 1 195 . 1 . 1 15 15 MET C C 13 178.830 0.01 . . . . . . A 15 MET C . 34535 1 196 . 1 . 1 15 15 MET CA C 13 59.744 0.02 . . . . . . A 15 MET CA . 34535 1 197 . 1 . 1 15 15 MET CB C 13 32.580 0.04 . . . . . . A 15 MET CB . 34535 1 198 . 1 . 1 15 15 MET CG C 13 33.578 0.03 . . . . . . A 15 MET CG . 34535 1 199 . 1 . 1 15 15 MET CE C 13 18.737 0.00 . . . . . . A 15 MET CE . 34535 1 200 . 1 . 1 15 15 MET N N 15 119.199 0.00 . . . . . . A 15 MET N . 34535 1 201 . 1 . 1 16 16 VAL H H 1 8.041 0.00 . . . . . . A 16 VAL H . 34535 1 202 . 1 . 1 16 16 VAL HA H 1 3.738 0.00 . . . . . . A 16 VAL HA . 34535 1 203 . 1 . 1 16 16 VAL HB H 1 2.269 0.00 . . . . . . A 16 VAL HB . 34535 1 204 . 1 . 1 16 16 VAL HG11 H 1 0.931 0.00 . . . . . . A 16 VAL HG11 . 34535 1 205 . 1 . 1 16 16 VAL HG12 H 1 0.931 0.00 . . . . . . A 16 VAL HG12 . 34535 1 206 . 1 . 1 16 16 VAL HG13 H 1 0.931 0.00 . . . . . . A 16 VAL HG13 . 34535 1 207 . 1 . 1 16 16 VAL HG21 H 1 1.008 0.00 . . . . . . A 16 VAL HG21 . 34535 1 208 . 1 . 1 16 16 VAL HG22 H 1 1.008 0.00 . . . . . . A 16 VAL HG22 . 34535 1 209 . 1 . 1 16 16 VAL HG23 H 1 1.008 0.00 . . . . . . A 16 VAL HG23 . 34535 1 210 . 1 . 1 16 16 VAL C C 13 179.972 0.00 . . . . . . A 16 VAL C . 34535 1 211 . 1 . 1 16 16 VAL CA C 13 66.050 0.04 . . . . . . A 16 VAL CA . 34535 1 212 . 1 . 1 16 16 VAL CB C 13 31.800 0.01 . . . . . . A 16 VAL CB . 34535 1 213 . 1 . 1 16 16 VAL CG1 C 13 21.341 0.01 . . . . . . A 16 VAL CG1 . 34535 1 214 . 1 . 1 16 16 VAL CG2 C 13 23.130 0.01 . . . . . . A 16 VAL CG2 . 34535 1 215 . 1 . 1 16 16 VAL N N 15 118.584 0.01 . . . . . . A 16 VAL N . 34535 1 216 . 1 . 1 17 17 GLN H H 1 8.128 0.00 . . . . . . A 17 GLN H . 34535 1 217 . 1 . 1 17 17 GLN HA H 1 4.054 0.00 . . . . . . A 17 GLN HA . 34535 1 218 . 1 . 1 17 17 GLN HB2 H 1 2.203 0.00 . . . . . . A 17 GLN HB2 . 34535 1 219 . 1 . 1 17 17 GLN HB3 H 1 2.250 0.00 . . . . . . A 17 GLN HB3 . 34535 1 220 . 1 . 1 17 17 GLN HG2 H 1 2.442 0.00 . . . . . . A 17 GLN HG2 . 34535 1 221 . 1 . 1 17 17 GLN HG3 H 1 2.578 0.00 . . . . . . A 17 GLN HG3 . 34535 1 222 . 1 . 1 17 17 GLN HE21 H 1 7.507 0.00 . . . . . . A 17 GLN HE21 . 34535 1 223 . 1 . 1 17 17 GLN HE22 H 1 6.837 0.00 . . . . . . A 17 GLN HE22 . 34535 1 224 . 1 . 1 17 17 GLN C C 13 177.942 0.00 . . . . . . A 17 GLN C . 34535 1 225 . 1 . 1 17 17 GLN CA C 13 58.857 0.01 . . . . . . A 17 GLN CA . 34535 1 226 . 1 . 1 17 17 GLN CB C 13 28.570 0.01 . . . . . . A 17 GLN CB . 34535 1 227 . 1 . 1 17 17 GLN CG C 13 33.849 0.00 . . . . . . A 17 GLN CG . 34535 1 228 . 1 . 1 17 17 GLN N N 15 121.084 0.01 . . . . . . A 17 GLN N . 34535 1 229 . 1 . 1 17 17 GLN NE2 N 15 111.991 0.00 . . . . . . A 17 GLN NE2 . 34535 1 230 . 1 . 1 18 18 LYS H H 1 7.914 0.00 . . . . . . A 18 LYS H . 34535 1 231 . 1 . 1 18 18 LYS HA H 1 4.284 0.00 . . . . . . A 18 LYS HA . 34535 1 232 . 1 . 1 18 18 LYS HB2 H 1 1.876 0.00 . . . . . . A 18 LYS HB2 . 34535 1 233 . 1 . 1 18 18 LYS HB3 H 1 2.003 0.00 . . . . . . A 18 LYS HB3 . 34535 1 234 . 1 . 1 18 18 LYS HG2 H 1 1.580 0.00 . . . . . . A 18 LYS HG2 . 34535 1 235 . 1 . 1 18 18 LYS HG3 H 1 1.624 0.00 . . . . . . A 18 LYS HG3 . 34535 1 236 . 1 . 1 18 18 LYS HD2 H 1 1.710 0.00 . . . . . . A 18 LYS HD2 . 34535 1 237 . 1 . 1 18 18 LYS HD3 H 1 1.710 0.00 . . . . . . A 18 LYS HD3 . 34535 1 238 . 1 . 1 18 18 LYS HE2 H 1 3.057 0.00 . . . . . . A 18 LYS HE2 . 34535 1 239 . 1 . 1 18 18 LYS HE3 H 1 3.057 0.00 . . . . . . A 18 LYS HE3 . 34535 1 240 . 1 . 1 18 18 LYS C C 13 175.346 0.00 . . . . . . A 18 LYS C . 34535 1 241 . 1 . 1 18 18 LYS CA C 13 55.741 0.03 . . . . . . A 18 LYS CA . 34535 1 242 . 1 . 1 18 18 LYS CB C 13 32.308 0.01 . . . . . . A 18 LYS CB . 34535 1 243 . 1 . 1 18 18 LYS CG C 13 25.040 0.03 . . . . . . A 18 LYS CG . 34535 1 244 . 1 . 1 18 18 LYS CD C 13 28.941 0.00 . . . . . . A 18 LYS CD . 34535 1 245 . 1 . 1 18 18 LYS CE C 13 42.274 0.00 . . . . . . A 18 LYS CE . 34535 1 246 . 1 . 1 18 18 LYS N N 15 116.039 0.00 . . . . . . A 18 LYS N . 34535 1 247 . 1 . 1 19 19 LYS H H 1 7.917 0.00 . . . . . . A 19 LYS H . 34535 1 248 . 1 . 1 19 19 LYS HA H 1 3.938 0.00 . . . . . . A 19 LYS HA . 34535 1 249 . 1 . 1 19 19 LYS HB2 H 1 1.932 0.00 . . . . . . A 19 LYS HB2 . 34535 1 250 . 1 . 1 19 19 LYS HB3 H 1 2.082 0.00 . . . . . . A 19 LYS HB3 . 34535 1 251 . 1 . 1 19 19 LYS HG2 H 1 1.404 0.00 . . . . . . A 19 LYS HG2 . 34535 1 252 . 1 . 1 19 19 LYS HG3 H 1 1.404 0.00 . . . . . . A 19 LYS HG3 . 34535 1 253 . 1 . 1 19 19 LYS HD2 H 1 1.774 0.00 . . . . . . A 19 LYS HD2 . 34535 1 254 . 1 . 1 19 19 LYS HD3 H 1 1.774 0.00 . . . . . . A 19 LYS HD3 . 34535 1 255 . 1 . 1 19 19 LYS HE2 H 1 3.065 0.00 . . . . . . A 19 LYS HE2 . 34535 1 256 . 1 . 1 19 19 LYS HE3 H 1 3.065 0.00 . . . . . . A 19 LYS HE3 . 34535 1 257 . 1 . 1 19 19 LYS C C 13 175.801 0.00 . . . . . . A 19 LYS C . 34535 1 258 . 1 . 1 19 19 LYS CA C 13 57.097 0.02 . . . . . . A 19 LYS CA . 34535 1 259 . 1 . 1 19 19 LYS CB C 13 29.400 0.02 . . . . . . A 19 LYS CB . 34535 1 260 . 1 . 1 19 19 LYS CG C 13 25.145 0.02 . . . . . . A 19 LYS CG . 34535 1 261 . 1 . 1 19 19 LYS CD C 13 29.367 0.00 . . . . . . A 19 LYS CD . 34535 1 262 . 1 . 1 19 19 LYS CE C 13 42.411 0.00 . . . . . . A 19 LYS CE . 34535 1 263 . 1 . 1 19 19 LYS N N 15 117.372 0.01 . . . . . . A 19 LYS N . 34535 1 264 . 1 . 1 20 20 ASN H H 1 8.281 0.00 . . . . . . A 20 ASN H . 34535 1 265 . 1 . 1 20 20 ASN HA H 1 4.940 0.00 . . . . . . A 20 ASN HA . 34535 1 266 . 1 . 1 20 20 ASN HB2 H 1 2.835 0.00 . . . . . . A 20 ASN HB2 . 34535 1 267 . 1 . 1 20 20 ASN HB3 H 1 2.621 0.00 . . . . . . A 20 ASN HB3 . 34535 1 268 . 1 . 1 20 20 ASN HD21 H 1 7.571 0.00 . . . . . . A 20 ASN HD21 . 34535 1 269 . 1 . 1 20 20 ASN HD22 H 1 6.960 0.00 . . . . . . A 20 ASN HD22 . 34535 1 270 . 1 . 1 20 20 ASN C C 13 174.824 0.00 . . . . . . A 20 ASN C . 34535 1 271 . 1 . 1 20 20 ASN CA C 13 52.600 0.02 . . . . . . A 20 ASN CA . 34535 1 272 . 1 . 1 20 20 ASN CB C 13 39.350 0.01 . . . . . . A 20 ASN CB . 34535 1 273 . 1 . 1 20 20 ASN N N 15 115.497 0.01 . . . . . . A 20 ASN N . 34535 1 274 . 1 . 1 20 20 ASN ND2 N 15 111.161 0.00 . . . . . . A 20 ASN ND2 . 34535 1 275 . 1 . 1 21 21 ALA H H 1 8.668 0.00 . . . . . . A 21 ALA H . 34535 1 276 . 1 . 1 21 21 ALA HA H 1 4.375 0.00 . . . . . . A 21 ALA HA . 34535 1 277 . 1 . 1 21 21 ALA HB1 H 1 1.418 0.00 . . . . . . A 21 ALA HB1 . 34535 1 278 . 1 . 1 21 21 ALA HB2 H 1 1.418 0.00 . . . . . . A 21 ALA HB2 . 34535 1 279 . 1 . 1 21 21 ALA HB3 H 1 1.418 0.00 . . . . . . A 21 ALA HB3 . 34535 1 280 . 1 . 1 21 21 ALA C C 13 177.783 0.00 . . . . . . A 21 ALA C . 34535 1 281 . 1 . 1 21 21 ALA CA C 13 52.548 0.02 . . . . . . A 21 ALA CA . 34535 1 282 . 1 . 1 21 21 ALA CB C 13 18.866 0.04 . . . . . . A 21 ALA CB . 34535 1 283 . 1 . 1 21 21 ALA N N 15 125.706 0.01 . . . . . . A 21 ALA N . 34535 1 284 . 1 . 1 22 22 ALA H H 1 8.139 0.00 . . . . . . A 22 ALA H . 34535 1 285 . 1 . 1 22 22 ALA HA H 1 4.194 0.00 . . . . . . A 22 ALA HA . 34535 1 286 . 1 . 1 22 22 ALA HB1 H 1 1.469 0.00 . . . . . . A 22 ALA HB1 . 34535 1 287 . 1 . 1 22 22 ALA HB2 H 1 1.469 0.00 . . . . . . A 22 ALA HB2 . 34535 1 288 . 1 . 1 22 22 ALA HB3 H 1 1.469 0.00 . . . . . . A 22 ALA HB3 . 34535 1 289 . 1 . 1 22 22 ALA C C 13 179.071 0.00 . . . . . . A 22 ALA C . 34535 1 290 . 1 . 1 22 22 ALA CA C 13 54.649 0.01 . . . . . . A 22 ALA CA . 34535 1 291 . 1 . 1 22 22 ALA CB C 13 18.229 0.03 . . . . . . A 22 ALA CB . 34535 1 292 . 1 . 1 22 22 ALA N N 15 122.450 0.01 . . . . . . A 22 ALA N . 34535 1 293 . 1 . 1 23 23 GLY H H 1 8.510 0.00 . . . . . . A 23 GLY H . 34535 1 294 . 1 . 1 23 23 GLY HA2 H 1 4.043 0.00 . . . . . . A 23 GLY HA2 . 34535 1 295 . 1 . 1 23 23 GLY HA3 H 1 4.082 0.00 . . . . . . A 23 GLY HA3 . 34535 1 296 . 1 . 1 23 23 GLY C C 13 176.026 0.00 . . . . . . A 23 GLY C . 34535 1 297 . 1 . 1 23 23 GLY CA C 13 45.616 0.01 . . . . . . A 23 GLY CA . 34535 1 298 . 1 . 1 23 23 GLY N N 15 108.358 0.01 . . . . . . A 23 GLY N . 34535 1 299 . 1 . 1 24 24 ALA H H 1 8.087 0.00 . . . . . . A 24 ALA H . 34535 1 300 . 1 . 1 24 24 ALA HA H 1 3.970 0.00 . . . . . . A 24 ALA HA . 34535 1 301 . 1 . 1 24 24 ALA HB1 H 1 1.554 0.00 . . . . . . A 24 ALA HB1 . 34535 1 302 . 1 . 1 24 24 ALA HB2 H 1 1.554 0.00 . . . . . . A 24 ALA HB2 . 34535 1 303 . 1 . 1 24 24 ALA HB3 H 1 1.554 0.00 . . . . . . A 24 ALA HB3 . 34535 1 304 . 1 . 1 24 24 ALA C C 13 178.169 0.00 . . . . . . A 24 ALA C . 34535 1 305 . 1 . 1 24 24 ALA CA C 13 55.108 0.01 . . . . . . A 24 ALA CA . 34535 1 306 . 1 . 1 24 24 ALA CB C 13 19.133 0.04 . . . . . . A 24 ALA CB . 34535 1 307 . 1 . 1 24 24 ALA N N 15 122.880 0.01 . . . . . . A 24 ALA N . 34535 1 308 . 1 . 1 25 25 LEU H H 1 8.373 0.00 . . . . . . A 25 LEU H . 34535 1 309 . 1 . 1 25 25 LEU HA H 1 3.863 0.00 . . . . . . A 25 LEU HA . 34535 1 310 . 1 . 1 25 25 LEU HB2 H 1 1.828 0.00 . . . . . . A 25 LEU HB2 . 34535 1 311 . 1 . 1 25 25 LEU HB3 H 1 1.532 0.00 . . . . . . A 25 LEU HB3 . 34535 1 312 . 1 . 1 25 25 LEU HG H 1 1.471 0.00 . . . . . . A 25 LEU HG . 34535 1 313 . 1 . 1 25 25 LEU HD11 H 1 0.896 0.00 . . . . . . A 25 LEU HD11 . 34535 1 314 . 1 . 1 25 25 LEU HD12 H 1 0.896 0.00 . . . . . . A 25 LEU HD12 . 34535 1 315 . 1 . 1 25 25 LEU HD13 H 1 0.896 0.00 . . . . . . A 25 LEU HD13 . 34535 1 316 . 1 . 1 25 25 LEU HD21 H 1 0.840 0.00 . . . . . . A 25 LEU HD21 . 34535 1 317 . 1 . 1 25 25 LEU HD22 H 1 0.840 0.00 . . . . . . A 25 LEU HD22 . 34535 1 318 . 1 . 1 25 25 LEU HD23 H 1 0.840 0.00 . . . . . . A 25 LEU HD23 . 34535 1 319 . 1 . 1 25 25 LEU C C 13 177.759 0.00 . . . . . . A 25 LEU C . 34535 1 320 . 1 . 1 25 25 LEU CA C 13 59.306 0.04 . . . . . . A 25 LEU CA . 34535 1 321 . 1 . 1 25 25 LEU CB C 13 41.235 0.00 . . . . . . A 25 LEU CB . 34535 1 322 . 1 . 1 25 25 LEU CG C 13 26.898 0.02 . . . . . . A 25 LEU CG . 34535 1 323 . 1 . 1 25 25 LEU CD1 C 13 25.603 0.02 . . . . . . A 25 LEU CD1 . 34535 1 324 . 1 . 1 25 25 LEU CD2 C 13 23.809 0.00 . . . . . . A 25 LEU CD2 . 34535 1 325 . 1 . 1 25 25 LEU N N 15 118.544 0.00 . . . . . . A 25 LEU N . 34535 1 326 . 1 . 1 26 26 ASP H H 1 7.958 0.00 . . . . . . A 26 ASP H . 34535 1 327 . 1 . 1 26 26 ASP HA H 1 4.272 0.00 . . . . . . A 26 ASP HA . 34535 1 328 . 1 . 1 26 26 ASP HB2 H 1 2.566 0.00 . . . . . . A 26 ASP HB2 . 34535 1 329 . 1 . 1 26 26 ASP HB3 H 1 2.667 0.00 . . . . . . A 26 ASP HB3 . 34535 1 330 . 1 . 1 26 26 ASP C C 13 178.971 0.00 . . . . . . A 26 ASP C . 34535 1 331 . 1 . 1 26 26 ASP CA C 13 57.591 0.02 . . . . . . A 26 ASP CA . 34535 1 332 . 1 . 1 26 26 ASP CB C 13 40.343 0.00 . . . . . . A 26 ASP CB . 34535 1 333 . 1 . 1 26 26 ASP N N 15 115.804 0.01 . . . . . . A 26 ASP N . 34535 1 334 . 1 . 1 27 27 LEU H H 1 7.373 0.00 . . . . . . A 27 LEU H . 34535 1 335 . 1 . 1 27 27 LEU HA H 1 4.101 0.00 . . . . . . A 27 LEU HA . 34535 1 336 . 1 . 1 27 27 LEU HB2 H 1 1.888 0.00 . . . . . . A 27 LEU HB2 . 34535 1 337 . 1 . 1 27 27 LEU HB3 H 1 1.492 0.00 . . . . . . A 27 LEU HB3 . 34535 1 338 . 1 . 1 27 27 LEU HG H 1 1.844 0.00 . . . . . . A 27 LEU HG . 34535 1 339 . 1 . 1 27 27 LEU HD11 H 1 0.883 0.00 . . . . . . A 27 LEU HD11 . 34535 1 340 . 1 . 1 27 27 LEU HD12 H 1 0.883 0.00 . . . . . . A 27 LEU HD12 . 34535 1 341 . 1 . 1 27 27 LEU HD13 H 1 0.883 0.00 . . . . . . A 27 LEU HD13 . 34535 1 342 . 1 . 1 27 27 LEU HD21 H 1 0.967 0.00 . . . . . . A 27 LEU HD21 . 34535 1 343 . 1 . 1 27 27 LEU HD22 H 1 0.967 0.00 . . . . . . A 27 LEU HD22 . 34535 1 344 . 1 . 1 27 27 LEU HD23 H 1 0.967 0.00 . . . . . . A 27 LEU HD23 . 34535 1 345 . 1 . 1 27 27 LEU C C 13 178.889 0.01 . . . . . . A 27 LEU C . 34535 1 346 . 1 . 1 27 27 LEU CA C 13 57.973 0.02 . . . . . . A 27 LEU CA . 34535 1 347 . 1 . 1 27 27 LEU CB C 13 42.205 0.01 . . . . . . A 27 LEU CB . 34535 1 348 . 1 . 1 27 27 LEU CG C 13 27.272 0.00 . . . . . . A 27 LEU CG . 34535 1 349 . 1 . 1 27 27 LEU CD1 C 13 24.374 0.01 . . . . . . A 27 LEU CD1 . 34535 1 350 . 1 . 1 27 27 LEU CD2 C 13 26.943 0.04 . . . . . . A 27 LEU CD2 . 34535 1 351 . 1 . 1 27 27 LEU N N 15 119.266 0.00 . . . . . . A 27 LEU N . 34535 1 352 . 1 . 1 28 28 LEU H H 1 8.340 0.00 . . . . . . A 28 LEU H . 34535 1 353 . 1 . 1 28 28 LEU HA H 1 3.833 0.00 . . . . . . A 28 LEU HA . 34535 1 354 . 1 . 1 28 28 LEU HB2 H 1 1.209 0.00 . . . . . . A 28 LEU HB2 . 34535 1 355 . 1 . 1 28 28 LEU HB3 H 1 2.095 0.00 . . . . . . A 28 LEU HB3 . 34535 1 356 . 1 . 1 28 28 LEU HG H 1 1.939 0.00 . . . . . . A 28 LEU HG . 34535 1 357 . 1 . 1 28 28 LEU HD11 H 1 0.910 0.00 . . . . . . A 28 LEU HD11 . 34535 1 358 . 1 . 1 28 28 LEU HD12 H 1 0.910 0.00 . . . . . . A 28 LEU HD12 . 34535 1 359 . 1 . 1 28 28 LEU HD13 H 1 0.910 0.00 . . . . . . A 28 LEU HD13 . 34535 1 360 . 1 . 1 28 28 LEU HD21 H 1 0.782 0.00 . . . . . . A 28 LEU HD21 . 34535 1 361 . 1 . 1 28 28 LEU HD22 H 1 0.782 0.00 . . . . . . A 28 LEU HD22 . 34535 1 362 . 1 . 1 28 28 LEU HD23 H 1 0.782 0.00 . . . . . . A 28 LEU HD23 . 34535 1 363 . 1 . 1 28 28 LEU C C 13 178.830 0.00 . . . . . . A 28 LEU C . 34535 1 364 . 1 . 1 28 28 LEU CA C 13 58.152 0.03 . . . . . . A 28 LEU CA . 34535 1 365 . 1 . 1 28 28 LEU CB C 13 41.798 0.03 . . . . . . A 28 LEU CB . 34535 1 366 . 1 . 1 28 28 LEU CG C 13 26.792 0.05 . . . . . . A 28 LEU CG . 34535 1 367 . 1 . 1 28 28 LEU CD1 C 13 28.225 0.00 . . . . . . A 28 LEU CD1 . 34535 1 368 . 1 . 1 28 28 LEU CD2 C 13 24.046 0.00 . . . . . . A 28 LEU CD2 . 34535 1 369 . 1 . 1 28 28 LEU N N 15 118.782 0.01 . . . . . . A 28 LEU N . 34535 1 370 . 1 . 1 29 29 LYS H H 1 8.210 0.00 . . . . . . A 29 LYS H . 34535 1 371 . 1 . 1 29 29 LYS HA H 1 3.761 0.00 . . . . . . A 29 LYS HA . 34535 1 372 . 1 . 1 29 29 LYS HB2 H 1 1.821 0.00 . . . . . . A 29 LYS HB2 . 34535 1 373 . 1 . 1 29 29 LYS HB3 H 1 1.910 0.00 . . . . . . A 29 LYS HB3 . 34535 1 374 . 1 . 1 29 29 LYS HG2 H 1 1.655 0.00 . . . . . . A 29 LYS HG2 . 34535 1 375 . 1 . 1 29 29 LYS HG3 H 1 1.282 0.00 . . . . . . A 29 LYS HG3 . 34535 1 376 . 1 . 1 29 29 LYS HD2 H 1 1.638 0.00 . . . . . . A 29 LYS HD2 . 34535 1 377 . 1 . 1 29 29 LYS HD3 H 1 1.638 0.00 . . . . . . A 29 LYS HD3 . 34535 1 378 . 1 . 1 29 29 LYS HE2 H 1 2.760 0.01 . . . . . . A 29 LYS HE2 . 34535 1 379 . 1 . 1 29 29 LYS HE3 H 1 2.909 0.00 . . . . . . A 29 LYS HE3 . 34535 1 380 . 1 . 1 29 29 LYS C C 13 179.429 0.00 . . . . . . A 29 LYS C . 34535 1 381 . 1 . 1 29 29 LYS CA C 13 60.582 0.04 . . . . . . A 29 LYS CA . 34535 1 382 . 1 . 1 29 29 LYS CB C 13 32.563 0.01 . . . . . . A 29 LYS CB . 34535 1 383 . 1 . 1 29 29 LYS CG C 13 26.920 0.01 . . . . . . A 29 LYS CG . 34535 1 384 . 1 . 1 29 29 LYS CD C 13 29.913 0.01 . . . . . . A 29 LYS CD . 34535 1 385 . 1 . 1 29 29 LYS CE C 13 42.076 0.00 . . . . . . A 29 LYS CE . 34535 1 386 . 1 . 1 29 29 LYS N N 15 117.269 0.01 . . . . . . A 29 LYS N . 34535 1 387 . 1 . 1 30 30 GLU H H 1 7.450 0.00 . . . . . . A 30 GLU H . 34535 1 388 . 1 . 1 30 30 GLU HA H 1 4.173 0.00 . . . . . . A 30 GLU HA . 34535 1 389 . 1 . 1 30 30 GLU HB2 H 1 2.135 0.00 . . . . . . A 30 GLU HB2 . 34535 1 390 . 1 . 1 30 30 GLU HB3 H 1 2.135 0.00 . . . . . . A 30 GLU HB3 . 34535 1 391 . 1 . 1 30 30 GLU HG2 H 1 2.348 0.00 . . . . . . A 30 GLU HG2 . 34535 1 392 . 1 . 1 30 30 GLU HG3 H 1 2.503 0.00 . . . . . . A 30 GLU HG3 . 34535 1 393 . 1 . 1 30 30 GLU C C 13 180.307 0.00 . . . . . . A 30 GLU C . 34535 1 394 . 1 . 1 30 30 GLU CA C 13 59.094 0.03 . . . . . . A 30 GLU CA . 34535 1 395 . 1 . 1 30 30 GLU CB C 13 29.713 0.02 . . . . . . A 30 GLU CB . 34535 1 396 . 1 . 1 30 30 GLU CG C 13 36.362 0.01 . . . . . . A 30 GLU CG . 34535 1 397 . 1 . 1 30 30 GLU N N 15 118.569 0.01 . . . . . . A 30 GLU N . 34535 1 398 . 1 . 1 31 31 LEU H H 1 8.139 0.00 . . . . . . A 31 LEU H . 34535 1 399 . 1 . 1 31 31 LEU HA H 1 3.837 0.00 . . . . . . A 31 LEU HA . 34535 1 400 . 1 . 1 31 31 LEU HB2 H 1 1.709 0.00 . . . . . . A 31 LEU HB2 . 34535 1 401 . 1 . 1 31 31 LEU HB3 H 1 1.665 0.00 . . . . . . A 31 LEU HB3 . 34535 1 402 . 1 . 1 31 31 LEU HG H 1 1.654 0.00 . . . . . . A 31 LEU HG . 34535 1 403 . 1 . 1 31 31 LEU HD11 H 1 0.887 0.00 . . . . . . A 31 LEU HD11 . 34535 1 404 . 1 . 1 31 31 LEU HD12 H 1 0.887 0.00 . . . . . . A 31 LEU HD12 . 34535 1 405 . 1 . 1 31 31 LEU HD13 H 1 0.887 0.00 . . . . . . A 31 LEU HD13 . 34535 1 406 . 1 . 1 31 31 LEU HD21 H 1 0.876 0.00 . . . . . . A 31 LEU HD21 . 34535 1 407 . 1 . 1 31 31 LEU HD22 H 1 0.876 0.00 . . . . . . A 31 LEU HD22 . 34535 1 408 . 1 . 1 31 31 LEU HD23 H 1 0.876 0.00 . . . . . . A 31 LEU HD23 . 34535 1 409 . 1 . 1 31 31 LEU C C 13 178.801 0.00 . . . . . . A 31 LEU C . 34535 1 410 . 1 . 1 31 31 LEU CA C 13 57.253 0.01 . . . . . . A 31 LEU CA . 34535 1 411 . 1 . 1 31 31 LEU CB C 13 42.420 0.01 . . . . . . A 31 LEU CB . 34535 1 412 . 1 . 1 31 31 LEU CG C 13 27.390 0.00 . . . . . . A 31 LEU CG . 34535 1 413 . 1 . 1 31 31 LEU CD1 C 13 25.413 0.00 . . . . . . A 31 LEU CD1 . 34535 1 414 . 1 . 1 31 31 LEU CD2 C 13 25.122 0.00 . . . . . . A 31 LEU CD2 . 34535 1 415 . 1 . 1 31 31 LEU N N 15 120.782 0.02 . . . . . . A 31 LEU N . 34535 1 416 . 1 . 1 32 32 LYS H H 1 7.780 0.00 . . . . . . A 32 LYS H . 34535 1 417 . 1 . 1 32 32 LYS HA H 1 3.946 0.00 . . . . . . A 32 LYS HA . 34535 1 418 . 1 . 1 32 32 LYS HB2 H 1 1.849 0.00 . . . . . . A 32 LYS HB2 . 34535 1 419 . 1 . 1 32 32 LYS HB3 H 1 1.896 0.00 . . . . . . A 32 LYS HB3 . 34535 1 420 . 1 . 1 32 32 LYS HG2 H 1 1.488 0.00 . . . . . . A 32 LYS HG2 . 34535 1 421 . 1 . 1 32 32 LYS HG3 H 1 1.488 0.00 . . . . . . A 32 LYS HG3 . 34535 1 422 . 1 . 1 32 32 LYS HD2 H 1 1.637 0.00 . . . . . . A 32 LYS HD2 . 34535 1 423 . 1 . 1 32 32 LYS HD3 H 1 1.597 0.00 . . . . . . A 32 LYS HD3 . 34535 1 424 . 1 . 1 32 32 LYS HE2 H 1 2.953 0.00 . . . . . . A 32 LYS HE2 . 34535 1 425 . 1 . 1 32 32 LYS HE3 H 1 2.953 0.00 . . . . . . A 32 LYS HE3 . 34535 1 426 . 1 . 1 32 32 LYS C C 13 176.268 0.00 . . . . . . A 32 LYS C . 34535 1 427 . 1 . 1 32 32 LYS CA C 13 58.545 0.01 . . . . . . A 32 LYS CA . 34535 1 428 . 1 . 1 32 32 LYS CB C 13 32.325 0.01 . . . . . . A 32 LYS CB . 34535 1 429 . 1 . 1 32 32 LYS CG C 13 24.488 0.01 . . . . . . A 32 LYS CG . 34535 1 430 . 1 . 1 32 32 LYS CD C 13 29.409 0.02 . . . . . . A 32 LYS CD . 34535 1 431 . 1 . 1 32 32 LYS CE C 13 41.918 0.00 . . . . . . A 32 LYS CE . 34535 1 432 . 1 . 1 32 32 LYS N N 15 118.661 0.01 . . . . . . A 32 LYS N . 34535 1 433 . 1 . 1 33 33 ASN H H 1 7.302 0.00 . . . . . . A 33 ASN H . 34535 1 434 . 1 . 1 33 33 ASN HA H 1 4.805 0.00 . . . . . . A 33 ASN HA . 34535 1 435 . 1 . 1 33 33 ASN HB2 H 1 3.078 0.00 . . . . . . A 33 ASN HB2 . 34535 1 436 . 1 . 1 33 33 ASN HB3 H 1 2.792 0.00 . . . . . . A 33 ASN HB3 . 34535 1 437 . 1 . 1 33 33 ASN HD21 H 1 7.656 0.00 . . . . . . A 33 ASN HD21 . 34535 1 438 . 1 . 1 33 33 ASN HD22 H 1 6.875 0.00 . . . . . . A 33 ASN HD22 . 34535 1 439 . 1 . 1 33 33 ASN C C 13 175.349 0.00 . . . . . . A 33 ASN C . 34535 1 440 . 1 . 1 33 33 ASN CA C 13 53.056 0.02 . . . . . . A 33 ASN CA . 34535 1 441 . 1 . 1 33 33 ASN CB C 13 39.367 0.01 . . . . . . A 33 ASN CB . 34535 1 442 . 1 . 1 33 33 ASN N N 15 113.363 0.01 . . . . . . A 33 ASN N . 34535 1 443 . 1 . 1 33 33 ASN ND2 N 15 113.806 0.00 . . . . . . A 33 ASN ND2 . 34535 1 444 . 1 . 1 34 34 ILE H H 1 7.458 0.00 . . . . . . A 34 ILE H . 34535 1 445 . 1 . 1 34 34 ILE HA H 1 4.455 0.00 . . . . . . A 34 ILE HA . 34535 1 446 . 1 . 1 34 34 ILE HB H 1 2.115 0.00 . . . . . . A 34 ILE HB . 34535 1 447 . 1 . 1 34 34 ILE HG12 H 1 1.652 0.00 . . . . . . A 34 ILE HG12 . 34535 1 448 . 1 . 1 34 34 ILE HG13 H 1 1.476 0.00 . . . . . . A 34 ILE HG13 . 34535 1 449 . 1 . 1 34 34 ILE HG21 H 1 0.793 0.00 . . . . . . A 34 ILE HG21 . 34535 1 450 . 1 . 1 34 34 ILE HG22 H 1 0.793 0.00 . . . . . . A 34 ILE HG22 . 34535 1 451 . 1 . 1 34 34 ILE HG23 H 1 0.793 0.00 . . . . . . A 34 ILE HG23 . 34535 1 452 . 1 . 1 34 34 ILE HD11 H 1 0.894 0.00 . . . . . . A 34 ILE HD11 . 34535 1 453 . 1 . 1 34 34 ILE HD12 H 1 0.894 0.00 . . . . . . A 34 ILE HD12 . 34535 1 454 . 1 . 1 34 34 ILE HD13 H 1 0.894 0.00 . . . . . . A 34 ILE HD13 . 34535 1 455 . 1 . 1 34 34 ILE C C 13 174.538 0.00 . . . . . . A 34 ILE C . 34535 1 456 . 1 . 1 34 34 ILE CA C 13 58.435 0.02 . . . . . . A 34 ILE CA . 34535 1 457 . 1 . 1 34 34 ILE CB C 13 38.703 0.02 . . . . . . A 34 ILE CB . 34535 1 458 . 1 . 1 34 34 ILE CG1 C 13 27.768 0.03 . . . . . . A 34 ILE CG1 . 34535 1 459 . 1 . 1 34 34 ILE CG2 C 13 15.999 0.00 . . . . . . A 34 ILE CG2 . 34535 1 460 . 1 . 1 34 34 ILE CD1 C 13 12.439 0.00 . . . . . . A 34 ILE CD1 . 34535 1 461 . 1 . 1 34 34 ILE N N 15 122.946 0.00 . . . . . . A 34 ILE N . 34535 1 462 . 1 . 1 35 35 PRO HA H 1 4.706 0.00 . . . . . . A 35 PRO HA . 34535 1 463 . 1 . 1 35 35 PRO HB2 H 1 2.114 0.00 . . . . . . A 35 PRO HB2 . 34535 1 464 . 1 . 1 35 35 PRO HB3 H 1 2.114 0.00 . . . . . . A 35 PRO HB3 . 34535 1 465 . 1 . 1 35 35 PRO HG2 H 1 2.065 0.00 . . . . . . A 35 PRO HG2 . 34535 1 466 . 1 . 1 35 35 PRO HG3 H 1 2.200 0.00 . . . . . . A 35 PRO HG3 . 34535 1 467 . 1 . 1 35 35 PRO HD2 H 1 4.009 0.00 . . . . . . A 35 PRO HD2 . 34535 1 468 . 1 . 1 35 35 PRO HD3 H 1 3.709 0.00 . . . . . . A 35 PRO HD3 . 34535 1 469 . 1 . 1 35 35 PRO C C 13 174.209 0.00 . . . . . . A 35 PRO C . 34535 1 470 . 1 . 1 35 35 PRO CA C 13 61.929 0.06 . . . . . . A 35 PRO CA . 34535 1 471 . 1 . 1 35 35 PRO CB C 13 29.363 0.03 . . . . . . A 35 PRO CB . 34535 1 472 . 1 . 1 35 35 PRO CG C 13 27.765 0.03 . . . . . . A 35 PRO CG . 34535 1 473 . 1 . 1 35 35 PRO CD C 13 51.112 0.05 . . . . . . A 35 PRO CD . 34535 1 474 . 1 . 1 36 36 MET H H 1 8.178 0.00 . . . . . . A 36 MET H . 34535 1 475 . 1 . 1 36 36 MET HA H 1 4.499 0.00 . . . . . . A 36 MET HA . 34535 1 476 . 1 . 1 36 36 MET HB2 H 1 1.780 0.00 . . . . . . A 36 MET HB2 . 34535 1 477 . 1 . 1 36 36 MET HB3 H 1 1.859 0.00 . . . . . . A 36 MET HB3 . 34535 1 478 . 1 . 1 36 36 MET HG2 H 1 1.433 0.00 . . . . . . A 36 MET HG2 . 34535 1 479 . 1 . 1 36 36 MET HG3 H 1 1.865 0.00 . . . . . . A 36 MET HG3 . 34535 1 480 . 1 . 1 36 36 MET HE1 H 1 1.458 0.00 . . . . . . A 36 MET HE1 . 34535 1 481 . 1 . 1 36 36 MET HE2 H 1 1.458 0.00 . . . . . . A 36 MET HE2 . 34535 1 482 . 1 . 1 36 36 MET HE3 H 1 1.458 0.00 . . . . . . A 36 MET HE3 . 34535 1 483 . 1 . 1 36 36 MET C C 13 174.935 0.00 . . . . . . A 36 MET C . 34535 1 484 . 1 . 1 36 36 MET CA C 13 53.626 0.01 . . . . . . A 36 MET CA . 34535 1 485 . 1 . 1 36 36 MET CB C 13 31.466 0.01 . . . . . . A 36 MET CB . 34535 1 486 . 1 . 1 36 36 MET CG C 13 30.701 0.00 . . . . . . A 36 MET CG . 34535 1 487 . 1 . 1 36 36 MET CE C 13 15.254 0.00 . . . . . . A 36 MET CE . 34535 1 488 . 1 . 1 36 36 MET N N 15 126.059 0.02 . . . . . . A 36 MET N . 34535 1 489 . 1 . 1 37 37 THR H H 1 6.485 0.00 . . . . . . A 37 THR H . 34535 1 490 . 1 . 1 37 37 THR HA H 1 4.694 0.00 . . . . . . A 37 THR HA . 34535 1 491 . 1 . 1 37 37 THR HB H 1 4.632 0.00 . . . . . . A 37 THR HB . 34535 1 492 . 1 . 1 37 37 THR HG1 H 1 5.669 0.00 . . . . . . A 37 THR HG1 . 34535 1 493 . 1 . 1 37 37 THR HG21 H 1 1.251 0.00 . . . . . . A 37 THR HG21 . 34535 1 494 . 1 . 1 37 37 THR HG22 H 1 1.251 0.00 . . . . . . A 37 THR HG22 . 34535 1 495 . 1 . 1 37 37 THR HG23 H 1 1.251 0.00 . . . . . . A 37 THR HG23 . 34535 1 496 . 1 . 1 37 37 THR C C 13 174.467 0.00 . . . . . . A 37 THR C . 34535 1 497 . 1 . 1 37 37 THR CA C 13 58.477 0.01 . . . . . . A 37 THR CA . 34535 1 498 . 1 . 1 37 37 THR CB C 13 72.548 0.03 . . . . . . A 37 THR CB . 34535 1 499 . 1 . 1 37 37 THR CG2 C 13 21.866 0.02 . . . . . . A 37 THR CG2 . 34535 1 500 . 1 . 1 37 37 THR N N 15 110.917 0.01 . . . . . . A 37 THR N . 34535 1 501 . 1 . 1 38 38 LEU H H 1 9.232 0.00 . . . . . . A 38 LEU H . 34535 1 502 . 1 . 1 38 38 LEU HA H 1 3.889 0.00 . . . . . . A 38 LEU HA . 34535 1 503 . 1 . 1 38 38 LEU HB2 H 1 1.583 0.00 . . . . . . A 38 LEU HB2 . 34535 1 504 . 1 . 1 38 38 LEU HB3 H 1 1.720 0.00 . . . . . . A 38 LEU HB3 . 34535 1 505 . 1 . 1 38 38 LEU HG H 1 1.531 0.00 . . . . . . A 38 LEU HG . 34535 1 506 . 1 . 1 38 38 LEU HD11 H 1 0.922 0.00 . . . . . . A 38 LEU HD11 . 34535 1 507 . 1 . 1 38 38 LEU HD12 H 1 0.922 0.00 . . . . . . A 38 LEU HD12 . 34535 1 508 . 1 . 1 38 38 LEU HD13 H 1 0.922 0.00 . . . . . . A 38 LEU HD13 . 34535 1 509 . 1 . 1 38 38 LEU HD21 H 1 0.948 0.00 . . . . . . A 38 LEU HD21 . 34535 1 510 . 1 . 1 38 38 LEU HD22 H 1 0.948 0.00 . . . . . . A 38 LEU HD22 . 34535 1 511 . 1 . 1 38 38 LEU HD23 H 1 0.948 0.00 . . . . . . A 38 LEU HD23 . 34535 1 512 . 1 . 1 38 38 LEU C C 13 178.026 0.00 . . . . . . A 38 LEU C . 34535 1 513 . 1 . 1 38 38 LEU CA C 13 58.493 0.02 . . . . . . A 38 LEU CA . 34535 1 514 . 1 . 1 38 38 LEU CB C 13 41.692 0.01 . . . . . . A 38 LEU CB . 34535 1 515 . 1 . 1 38 38 LEU CG C 13 27.141 0.02 . . . . . . A 38 LEU CG . 34535 1 516 . 1 . 1 38 38 LEU CD1 C 13 25.190 0.00 . . . . . . A 38 LEU CD1 . 34535 1 517 . 1 . 1 38 38 LEU CD2 C 13 24.330 0.00 . . . . . . A 38 LEU CD2 . 34535 1 518 . 1 . 1 38 38 LEU N N 15 123.587 0.01 . . . . . . A 38 LEU N . 34535 1 519 . 1 . 1 39 39 GLU H H 1 8.816 0.00 . . . . . . A 39 GLU H . 34535 1 520 . 1 . 1 39 39 GLU HA H 1 3.985 0.00 . . . . . . A 39 GLU HA . 34535 1 521 . 1 . 1 39 39 GLU HB2 H 1 1.909 0.00 . . . . . . A 39 GLU HB2 . 34535 1 522 . 1 . 1 39 39 GLU HB3 H 1 2.029 0.00 . . . . . . A 39 GLU HB3 . 34535 1 523 . 1 . 1 39 39 GLU HG2 H 1 2.256 0.00 . . . . . . A 39 GLU HG2 . 34535 1 524 . 1 . 1 39 39 GLU HG3 H 1 2.428 0.00 . . . . . . A 39 GLU HG3 . 34535 1 525 . 1 . 1 39 39 GLU C C 13 179.733 0.00 . . . . . . A 39 GLU C . 34535 1 526 . 1 . 1 39 39 GLU CA C 13 60.608 0.04 . . . . . . A 39 GLU CA . 34535 1 527 . 1 . 1 39 39 GLU CB C 13 28.833 0.02 . . . . . . A 39 GLU CB . 34535 1 528 . 1 . 1 39 39 GLU CG C 13 37.133 0.00 . . . . . . A 39 GLU CG . 34535 1 529 . 1 . 1 39 39 GLU N N 15 117.451 0.01 . . . . . . A 39 GLU N . 34535 1 530 . 1 . 1 40 40 LEU H H 1 7.711 0.00 . . . . . . A 40 LEU H . 34535 1 531 . 1 . 1 40 40 LEU HA H 1 4.179 0.00 . . . . . . A 40 LEU HA . 34535 1 532 . 1 . 1 40 40 LEU HB2 H 1 1.344 0.00 . . . . . . A 40 LEU HB2 . 34535 1 533 . 1 . 1 40 40 LEU HB3 H 1 1.821 0.00 . . . . . . A 40 LEU HB3 . 34535 1 534 . 1 . 1 40 40 LEU HG H 1 1.597 0.00 . . . . . . A 40 LEU HG . 34535 1 535 . 1 . 1 40 40 LEU HD11 H 1 0.936 0.00 . . . . . . A 40 LEU HD11 . 34535 1 536 . 1 . 1 40 40 LEU HD12 H 1 0.936 0.00 . . . . . . A 40 LEU HD12 . 34535 1 537 . 1 . 1 40 40 LEU HD13 H 1 0.936 0.00 . . . . . . A 40 LEU HD13 . 34535 1 538 . 1 . 1 40 40 LEU HD21 H 1 0.834 0.00 . . . . . . A 40 LEU HD21 . 34535 1 539 . 1 . 1 40 40 LEU HD22 H 1 0.834 0.00 . . . . . . A 40 LEU HD22 . 34535 1 540 . 1 . 1 40 40 LEU HD23 H 1 0.834 0.00 . . . . . . A 40 LEU HD23 . 34535 1 541 . 1 . 1 40 40 LEU C C 13 180.016 0.00 . . . . . . A 40 LEU C . 34535 1 542 . 1 . 1 40 40 LEU CA C 13 57.451 0.00 . . . . . . A 40 LEU CA . 34535 1 543 . 1 . 1 40 40 LEU CB C 13 43.703 0.02 . . . . . . A 40 LEU CB . 34535 1 544 . 1 . 1 40 40 LEU CG C 13 27.200 0.00 . . . . . . A 40 LEU CG . 34535 1 545 . 1 . 1 40 40 LEU CD1 C 13 25.388 0.00 . . . . . . A 40 LEU CD1 . 34535 1 546 . 1 . 1 40 40 LEU CD2 C 13 24.042 0.00 . . . . . . A 40 LEU CD2 . 34535 1 547 . 1 . 1 40 40 LEU N N 15 120.494 0.01 . . . . . . A 40 LEU N . 34535 1 548 . 1 . 1 41 41 LEU HA H 1 3.696 0.00 . . . . . . A 41 LEU HA . 34535 1 549 . 1 . 1 41 41 LEU HB2 H 1 1.509 0.00 . . . . . . A 41 LEU HB2 . 34535 1 550 . 1 . 1 41 41 LEU HB3 H 1 1.756 0.00 . . . . . . A 41 LEU HB3 . 34535 1 551 . 1 . 1 41 41 LEU HG H 1 1.389 0.00 . . . . . . A 41 LEU HG . 34535 1 552 . 1 . 1 41 41 LEU HD11 H 1 0.611 0.00 . . . . . . A 41 LEU HD11 . 34535 1 553 . 1 . 1 41 41 LEU HD12 H 1 0.611 0.00 . . . . . . A 41 LEU HD12 . 34535 1 554 . 1 . 1 41 41 LEU HD13 H 1 0.611 0.00 . . . . . . A 41 LEU HD13 . 34535 1 555 . 1 . 1 41 41 LEU HD21 H 1 0.308 0.00 . . . . . . A 41 LEU HD21 . 34535 1 556 . 1 . 1 41 41 LEU HD22 H 1 0.308 0.00 . . . . . . A 41 LEU HD22 . 34535 1 557 . 1 . 1 41 41 LEU HD23 H 1 0.308 0.00 . . . . . . A 41 LEU HD23 . 34535 1 558 . 1 . 1 41 41 LEU C C 13 180.188 0.00 . . . . . . A 41 LEU C . 34535 1 559 . 1 . 1 41 41 LEU CA C 13 58.523 0.02 . . . . . . A 41 LEU CA . 34535 1 560 . 1 . 1 41 41 LEU CB C 13 42.172 0.02 . . . . . . A 41 LEU CB . 34535 1 561 . 1 . 1 41 41 LEU CG C 13 26.521 0.00 . . . . . . A 41 LEU CG . 34535 1 562 . 1 . 1 41 41 LEU CD1 C 13 26.025 0.00 . . . . . . A 41 LEU CD1 . 34535 1 563 . 1 . 1 41 41 LEU CD2 C 13 23.487 0.00 . . . . . . A 41 LEU CD2 . 34535 1 564 . 1 . 1 42 42 GLN H H 1 8.215 0.00 . . . . . . A 42 GLN H . 34535 1 565 . 1 . 1 42 42 GLN HA H 1 4.173 0.00 . . . . . . A 42 GLN HA . 34535 1 566 . 1 . 1 42 42 GLN HB2 H 1 2.175 0.00 . . . . . . A 42 GLN HB2 . 34535 1 567 . 1 . 1 42 42 GLN HB3 H 1 2.046 0.00 . . . . . . A 42 GLN HB3 . 34535 1 568 . 1 . 1 42 42 GLN HG2 H 1 2.332 0.00 . . . . . . A 42 GLN HG2 . 34535 1 569 . 1 . 1 42 42 GLN HG3 H 1 2.553 0.00 . . . . . . A 42 GLN HG3 . 34535 1 570 . 1 . 1 42 42 GLN HE21 H 1 7.257 0.00 . . . . . . A 42 GLN HE21 . 34535 1 571 . 1 . 1 42 42 GLN HE22 H 1 6.815 0.00 . . . . . . A 42 GLN HE22 . 34535 1 572 . 1 . 1 42 42 GLN C C 13 178.479 0.00 . . . . . . A 42 GLN C . 34535 1 573 . 1 . 1 42 42 GLN CA C 13 58.323 0.04 . . . . . . A 42 GLN CA . 34535 1 574 . 1 . 1 42 42 GLN CB C 13 29.001 0.02 . . . . . . A 42 GLN CB . 34535 1 575 . 1 . 1 42 42 GLN CG C 13 34.226 0.01 . . . . . . A 42 GLN CG . 34535 1 576 . 1 . 1 42 42 GLN N N 15 116.343 0.01 . . . . . . A 42 GLN N . 34535 1 577 . 1 . 1 42 42 GLN NE2 N 15 110.637 0.00 . . . . . . A 42 GLN NE2 . 34535 1 578 . 1 . 1 43 43 SER H H 1 8.354 0.00 . . . . . . A 43 SER H . 34535 1 579 . 1 . 1 43 43 SER HA H 1 4.347 0.00 . . . . . . A 43 SER HA . 34535 1 580 . 1 . 1 43 43 SER HB2 H 1 3.956 0.00 . . . . . . A 43 SER HB2 . 34535 1 581 . 1 . 1 43 43 SER HB3 H 1 3.938 0.00 . . . . . . A 43 SER HB3 . 34535 1 582 . 1 . 1 43 43 SER CA C 13 60.743 0.08 . . . . . . A 43 SER CA . 34535 1 583 . 1 . 1 43 43 SER CB C 13 63.311 0.01 . . . . . . A 43 SER CB . 34535 1 584 . 1 . 1 43 43 SER N N 15 113.564 0.01 . . . . . . A 43 SER N . 34535 1 585 . 1 . 1 44 44 THR H H 1 7.610 0.00 . . . . . . A 44 THR H . 34535 1 586 . 1 . 1 44 44 THR HA H 1 4.565 0.00 . . . . . . A 44 THR HA . 34535 1 587 . 1 . 1 44 44 THR HB H 1 4.063 0.00 . . . . . . A 44 THR HB . 34535 1 588 . 1 . 1 44 44 THR HG21 H 1 1.352 0.00 . . . . . . A 44 THR HG21 . 34535 1 589 . 1 . 1 44 44 THR HG22 H 1 1.352 0.00 . . . . . . A 44 THR HG22 . 34535 1 590 . 1 . 1 44 44 THR HG23 H 1 1.352 0.00 . . . . . . A 44 THR HG23 . 34535 1 591 . 1 . 1 44 44 THR C C 13 176.780 0.00 . . . . . . A 44 THR C . 34535 1 592 . 1 . 1 44 44 THR CA C 13 73.254 0.00 . . . . . . A 44 THR CA . 34535 1 593 . 1 . 1 44 44 THR CB C 13 71.871 0.02 . . . . . . A 44 THR CB . 34535 1 594 . 1 . 1 44 44 THR CG2 C 13 21.767 0.00 . . . . . . A 44 THR CG2 . 34535 1 595 . 1 . 1 44 44 THR N N 15 109.239 0.00 . . . . . . A 44 THR N . 34535 1 596 . 1 . 1 45 45 ARG H H 1 8.130 0.00 . . . . . . A 45 ARG H . 34535 1 597 . 1 . 1 45 45 ARG HA H 1 4.279 0.00 . . . . . . A 45 ARG HA . 34535 1 598 . 1 . 1 45 45 ARG HB2 H 1 2.196 0.00 . . . . . . A 45 ARG HB2 . 34535 1 599 . 1 . 1 45 45 ARG HB3 H 1 2.084 0.00 . . . . . . A 45 ARG HB3 . 34535 1 600 . 1 . 1 45 45 ARG HG2 H 1 1.658 0.00 . . . . . . A 45 ARG HG2 . 34535 1 601 . 1 . 1 45 45 ARG HG3 H 1 1.612 0.00 . . . . . . A 45 ARG HG3 . 34535 1 602 . 1 . 1 45 45 ARG HD2 H 1 3.265 0.00 . . . . . . A 45 ARG HD2 . 34535 1 603 . 1 . 1 45 45 ARG HD3 H 1 3.265 0.00 . . . . . . A 45 ARG HD3 . 34535 1 604 . 1 . 1 45 45 ARG C C 13 178.105 0.00 . . . . . . A 45 ARG C . 34535 1 605 . 1 . 1 45 45 ARG CB C 13 27.690 0.00 . . . . . . A 45 ARG CB . 34535 1 606 . 1 . 1 45 45 ARG CG C 13 27.718 0.01 . . . . . . A 45 ARG CG . 34535 1 607 . 1 . 1 45 45 ARG CD C 13 43.662 0.00 . . . . . . A 45 ARG CD . 34535 1 608 . 1 . 1 45 45 ARG N N 15 122.370 0.02 . . . . . . A 45 ARG N . 34535 1 609 . 1 . 1 46 46 ILE H H 1 7.661 0.00 . . . . . . A 46 ILE H . 34535 1 610 . 1 . 1 46 46 ILE HA H 1 4.152 0.00 . . . . . . A 46 ILE HA . 34535 1 611 . 1 . 1 46 46 ILE HB H 1 1.743 0.00 . . . . . . A 46 ILE HB . 34535 1 612 . 1 . 1 46 46 ILE HG12 H 1 1.290 0.00 . . . . . . A 46 ILE HG12 . 34535 1 613 . 1 . 1 46 46 ILE HG13 H 1 1.586 0.00 . . . . . . A 46 ILE HG13 . 34535 1 614 . 1 . 1 46 46 ILE HG21 H 1 0.466 0.00 . . . . . . A 46 ILE HG21 . 34535 1 615 . 1 . 1 46 46 ILE HG22 H 1 0.466 0.00 . . . . . . A 46 ILE HG22 . 34535 1 616 . 1 . 1 46 46 ILE HG23 H 1 0.466 0.00 . . . . . . A 46 ILE HG23 . 34535 1 617 . 1 . 1 46 46 ILE HD11 H 1 1.105 0.00 . . . . . . A 46 ILE HD11 . 34535 1 618 . 1 . 1 46 46 ILE HD12 H 1 1.105 0.00 . . . . . . A 46 ILE HD12 . 34535 1 619 . 1 . 1 46 46 ILE HD13 H 1 1.105 0.00 . . . . . . A 46 ILE HD13 . 34535 1 620 . 1 . 1 46 46 ILE C C 13 176.115 0.00 . . . . . . A 46 ILE C . 34535 1 621 . 1 . 1 46 46 ILE CA C 13 61.808 0.04 . . . . . . A 46 ILE CA . 34535 1 622 . 1 . 1 46 46 ILE CB C 13 38.459 0.01 . . . . . . A 46 ILE CB . 34535 1 623 . 1 . 1 46 46 ILE CG1 C 13 29.784 0.01 . . . . . . A 46 ILE CG1 . 34535 1 624 . 1 . 1 46 46 ILE CG2 C 13 18.830 0.00 . . . . . . A 46 ILE CG2 . 34535 1 625 . 1 . 1 46 46 ILE CD1 C 13 15.032 0.03 . . . . . . A 46 ILE CD1 . 34535 1 626 . 1 . 1 46 46 ILE N N 15 118.780 0.01 . . . . . . A 46 ILE N . 34535 1 627 . 1 . 1 47 47 GLY H H 1 9.053 0.00 . . . . . . A 47 GLY H . 34535 1 628 . 1 . 1 47 47 GLY HA2 H 1 3.973 0.00 . . . . . . A 47 GLY HA2 . 34535 1 629 . 1 . 1 47 47 GLY HA3 H 1 4.052 0.00 . . . . . . A 47 GLY HA3 . 34535 1 630 . 1 . 1 47 47 GLY C C 13 176.666 0.00 . . . . . . A 47 GLY C . 34535 1 631 . 1 . 1 47 47 GLY CA C 13 47.212 0.01 . . . . . . A 47 GLY CA . 34535 1 632 . 1 . 1 47 47 GLY N N 15 110.780 0.01 . . . . . . A 47 GLY N . 34535 1 633 . 1 . 1 48 48 MET H H 1 7.651 0.00 . . . . . . A 48 MET H . 34535 1 634 . 1 . 1 48 48 MET HA H 1 4.367 0.00 . . . . . . A 48 MET HA . 34535 1 635 . 1 . 1 48 48 MET HB2 H 1 2.315 0.00 . . . . . . A 48 MET HB2 . 34535 1 636 . 1 . 1 48 48 MET HB3 H 1 2.364 0.00 . . . . . . A 48 MET HB3 . 34535 1 637 . 1 . 1 48 48 MET HG2 H 1 2.697 0.00 . . . . . . A 48 MET HG2 . 34535 1 638 . 1 . 1 48 48 MET HG3 H 1 2.767 0.00 . . . . . . A 48 MET HG3 . 34535 1 639 . 1 . 1 48 48 MET HE1 H 1 2.169 0.00 . . . . . . A 48 MET HE1 . 34535 1 640 . 1 . 1 48 48 MET HE2 H 1 2.169 0.00 . . . . . . A 48 MET HE2 . 34535 1 641 . 1 . 1 48 48 MET HE3 H 1 2.169 0.00 . . . . . . A 48 MET HE3 . 34535 1 642 . 1 . 1 48 48 MET C C 13 179.858 0.00 . . . . . . A 48 MET C . 34535 1 643 . 1 . 1 48 48 MET CA C 13 58.757 0.00 . . . . . . A 48 MET CA . 34535 1 644 . 1 . 1 48 48 MET CB C 13 31.978 0.04 . . . . . . A 48 MET CB . 34535 1 645 . 1 . 1 48 48 MET CG C 13 32.477 0.00 . . . . . . A 48 MET CG . 34535 1 646 . 1 . 1 48 48 MET CE C 13 17.279 0.00 . . . . . . A 48 MET CE . 34535 1 647 . 1 . 1 48 48 MET N N 15 121.194 0.02 . . . . . . A 48 MET N . 34535 1 648 . 1 . 1 49 49 SER HA H 1 4.406 0.01 . . . . . . A 49 SER HA . 34535 1 649 . 1 . 1 49 49 SER HB2 H 1 4.024 0.00 . . . . . . A 49 SER HB2 . 34535 1 650 . 1 . 1 49 49 SER HB3 H 1 4.090 0.00 . . . . . . A 49 SER HB3 . 34535 1 651 . 1 . 1 49 49 SER C C 13 176.058 0.00 . . . . . . A 49 SER C . 34535 1 652 . 1 . 1 49 49 SER CA C 13 63.126 0.08 . . . . . . A 49 SER CA . 34535 1 653 . 1 . 1 49 49 SER CB C 13 63.255 0.00 . . . . . . A 49 SER CB . 34535 1 654 . 1 . 1 50 50 VAL H H 1 8.364 0.00 . . . . . . A 50 VAL H . 34535 1 655 . 1 . 1 50 50 VAL HA H 1 3.665 0.00 . . . . . . A 50 VAL HA . 34535 1 656 . 1 . 1 50 50 VAL HB H 1 2.214 0.00 . . . . . . A 50 VAL HB . 34535 1 657 . 1 . 1 50 50 VAL HG11 H 1 1.187 0.00 . . . . . . A 50 VAL HG11 . 34535 1 658 . 1 . 1 50 50 VAL HG12 H 1 1.187 0.00 . . . . . . A 50 VAL HG12 . 34535 1 659 . 1 . 1 50 50 VAL HG13 H 1 1.187 0.00 . . . . . . A 50 VAL HG13 . 34535 1 660 . 1 . 1 50 50 VAL HG21 H 1 0.887 0.00 . . . . . . A 50 VAL HG21 . 34535 1 661 . 1 . 1 50 50 VAL HG22 H 1 0.887 0.00 . . . . . . A 50 VAL HG22 . 34535 1 662 . 1 . 1 50 50 VAL HG23 H 1 0.887 0.00 . . . . . . A 50 VAL HG23 . 34535 1 663 . 1 . 1 50 50 VAL C C 13 177.886 0.00 . . . . . . A 50 VAL C . 34535 1 664 . 1 . 1 50 50 VAL CA C 13 66.979 0.04 . . . . . . A 50 VAL CA . 34535 1 665 . 1 . 1 50 50 VAL CB C 13 31.841 0.01 . . . . . . A 50 VAL CB . 34535 1 666 . 1 . 1 50 50 VAL CG1 C 13 24.704 0.03 . . . . . . A 50 VAL CG1 . 34535 1 667 . 1 . 1 50 50 VAL CG2 C 13 22.785 0.05 . . . . . . A 50 VAL CG2 . 34535 1 668 . 1 . 1 50 50 VAL N N 15 121.178 0.00 . . . . . . A 50 VAL N . 34535 1 669 . 1 . 1 51 51 ASN H H 1 8.223 0.00 . . . . . . A 51 ASN H . 34535 1 670 . 1 . 1 51 51 ASN HA H 1 4.404 0.00 . . . . . . A 51 ASN HA . 34535 1 671 . 1 . 1 51 51 ASN HB2 H 1 2.922 0.00 . . . . . . A 51 ASN HB2 . 34535 1 672 . 1 . 1 51 51 ASN HB3 H 1 2.863 0.00 . . . . . . A 51 ASN HB3 . 34535 1 673 . 1 . 1 51 51 ASN HD21 H 1 7.739 0.00 . . . . . . A 51 ASN HD21 . 34535 1 674 . 1 . 1 51 51 ASN HD22 H 1 7.094 0.00 . . . . . . A 51 ASN HD22 . 34535 1 675 . 1 . 1 51 51 ASN C C 13 176.805 0.00 . . . . . . A 51 ASN C . 34535 1 676 . 1 . 1 51 51 ASN CA C 13 56.549 0.03 . . . . . . A 51 ASN CA . 34535 1 677 . 1 . 1 51 51 ASN CB C 13 38.762 0.01 . . . . . . A 51 ASN CB . 34535 1 678 . 1 . 1 51 51 ASN N N 15 118.487 0.01 . . . . . . A 51 ASN N . 34535 1 679 . 1 . 1 51 51 ASN ND2 N 15 114.945 0.00 . . . . . . A 51 ASN ND2 . 34535 1 680 . 1 . 1 52 52 ALA H H 1 7.931 0.00 . . . . . . A 52 ALA H . 34535 1 681 . 1 . 1 52 52 ALA HA H 1 4.155 0.00 . . . . . . A 52 ALA HA . 34535 1 682 . 1 . 1 52 52 ALA HB1 H 1 1.641 0.00 . . . . . . A 52 ALA HB1 . 34535 1 683 . 1 . 1 52 52 ALA HB2 H 1 1.641 0.00 . . . . . . A 52 ALA HB2 . 34535 1 684 . 1 . 1 52 52 ALA HB3 H 1 1.641 0.00 . . . . . . A 52 ALA HB3 . 34535 1 685 . 1 . 1 52 52 ALA C C 13 180.799 0.00 . . . . . . A 52 ALA C . 34535 1 686 . 1 . 1 52 52 ALA CA C 13 55.438 0.03 . . . . . . A 52 ALA CA . 34535 1 687 . 1 . 1 52 52 ALA CB C 13 18.702 0.03 . . . . . . A 52 ALA CB . 34535 1 688 . 1 . 1 52 52 ALA N N 15 121.421 0.01 . . . . . . A 52 ALA N . 34535 1 689 . 1 . 1 53 53 ILE H H 1 7.851 0.00 . . . . . . A 53 ILE H . 34535 1 690 . 1 . 1 53 53 ILE HA H 1 3.740 0.00 . . . . . . A 53 ILE HA . 34535 1 691 . 1 . 1 53 53 ILE HB H 1 2.230 0.00 . . . . . . A 53 ILE HB . 34535 1 692 . 1 . 1 53 53 ILE HG12 H 1 1.524 0.00 . . . . . . A 53 ILE HG12 . 34535 1 693 . 1 . 1 53 53 ILE HG13 H 1 1.524 0.00 . . . . . . A 53 ILE HG13 . 34535 1 694 . 1 . 1 53 53 ILE HG21 H 1 0.845 0.00 . . . . . . A 53 ILE HG21 . 34535 1 695 . 1 . 1 53 53 ILE HG22 H 1 0.845 0.00 . . . . . . A 53 ILE HG22 . 34535 1 696 . 1 . 1 53 53 ILE HG23 H 1 0.845 0.00 . . . . . . A 53 ILE HG23 . 34535 1 697 . 1 . 1 53 53 ILE HD11 H 1 0.845 0.00 . . . . . . A 53 ILE HD11 . 34535 1 698 . 1 . 1 53 53 ILE HD12 H 1 0.845 0.00 . . . . . . A 53 ILE HD12 . 34535 1 699 . 1 . 1 53 53 ILE HD13 H 1 0.845 0.00 . . . . . . A 53 ILE HD13 . 34535 1 700 . 1 . 1 53 53 ILE C C 13 177.475 0.00 . . . . . . A 53 ILE C . 34535 1 701 . 1 . 1 53 53 ILE CA C 13 62.254 0.03 . . . . . . A 53 ILE CA . 34535 1 702 . 1 . 1 53 53 ILE CB C 13 36.136 0.00 . . . . . . A 53 ILE CB . 34535 1 703 . 1 . 1 53 53 ILE CG1 C 13 28.438 0.02 . . . . . . A 53 ILE CG1 . 34535 1 704 . 1 . 1 53 53 ILE CG2 C 13 17.604 0.00 . . . . . . A 53 ILE CG2 . 34535 1 705 . 1 . 1 53 53 ILE CD1 C 13 11.543 0.01 . . . . . . A 53 ILE CD1 . 34535 1 706 . 1 . 1 53 53 ILE N N 15 119.718 0.00 . . . . . . A 53 ILE N . 34535 1 707 . 1 . 1 54 54 ARG H H 1 8.157 0.00 . . . . . . A 54 ARG H . 34535 1 708 . 1 . 1 54 54 ARG HA H 1 3.649 0.00 . . . . . . A 54 ARG HA . 34535 1 709 . 1 . 1 54 54 ARG HB2 H 1 1.754 0.00 . . . . . . A 54 ARG HB2 . 34535 1 710 . 1 . 1 54 54 ARG HB3 H 1 2.314 0.00 . . . . . . A 54 ARG HB3 . 34535 1 711 . 1 . 1 54 54 ARG HG2 H 1 1.663 0.00 . . . . . . A 54 ARG HG2 . 34535 1 712 . 1 . 1 54 54 ARG HG3 H 1 1.648 0.00 . . . . . . A 54 ARG HG3 . 34535 1 713 . 1 . 1 54 54 ARG HD2 H 1 3.309 0.00 . . . . . . A 54 ARG HD2 . 34535 1 714 . 1 . 1 54 54 ARG HD3 H 1 2.872 0.00 . . . . . . A 54 ARG HD3 . 34535 1 715 . 1 . 1 54 54 ARG C C 13 177.624 0.01 . . . . . . A 54 ARG C . 34535 1 716 . 1 . 1 54 54 ARG CA C 13 59.776 0.02 . . . . . . A 54 ARG CA . 34535 1 717 . 1 . 1 54 54 ARG CB C 13 29.484 0.03 . . . . . . A 54 ARG CB . 34535 1 718 . 1 . 1 54 54 ARG CG C 13 27.050 0.01 . . . . . . A 54 ARG CG . 34535 1 719 . 1 . 1 54 54 ARG CD C 13 43.492 0.01 . . . . . . A 54 ARG CD . 34535 1 720 . 1 . 1 54 54 ARG N N 15 120.387 0.01 . . . . . . A 54 ARG N . 34535 1 721 . 1 . 1 55 55 LYS H H 1 7.803 0.00 . . . . . . A 55 LYS H . 34535 1 722 . 1 . 1 55 55 LYS HA H 1 4.018 0.00 . . . . . . A 55 LYS HA . 34535 1 723 . 1 . 1 55 55 LYS HB2 H 1 1.922 0.00 . . . . . . A 55 LYS HB2 . 34535 1 724 . 1 . 1 55 55 LYS HB3 H 1 1.855 0.00 . . . . . . A 55 LYS HB3 . 34535 1 725 . 1 . 1 55 55 LYS HG2 H 1 1.623 0.00 . . . . . . A 55 LYS HG2 . 34535 1 726 . 1 . 1 55 55 LYS HG3 H 1 1.437 0.00 . . . . . . A 55 LYS HG3 . 34535 1 727 . 1 . 1 55 55 LYS HD2 H 1 1.762 0.00 . . . . . . A 55 LYS HD2 . 34535 1 728 . 1 . 1 55 55 LYS HD3 H 1 1.680 0.01 . . . . . . A 55 LYS HD3 . 34535 1 729 . 1 . 1 55 55 LYS HE2 H 1 2.970 0.00 . . . . . . A 55 LYS HE2 . 34535 1 730 . 1 . 1 55 55 LYS HE3 H 1 2.970 0.00 . . . . . . A 55 LYS HE3 . 34535 1 731 . 1 . 1 55 55 LYS C C 13 177.547 0.00 . . . . . . A 55 LYS C . 34535 1 732 . 1 . 1 55 55 LYS CA C 13 58.704 0.01 . . . . . . A 55 LYS CA . 34535 1 733 . 1 . 1 55 55 LYS CB C 13 32.848 0.00 . . . . . . A 55 LYS CB . 34535 1 734 . 1 . 1 55 55 LYS CG C 13 25.437 0.01 . . . . . . A 55 LYS CG . 34535 1 735 . 1 . 1 55 55 LYS CD C 13 29.373 0.03 . . . . . . A 55 LYS CD . 34535 1 736 . 1 . 1 55 55 LYS N N 15 115.817 0.01 . . . . . . A 55 LYS N . 34535 1 737 . 1 . 1 56 56 GLN H H 1 7.475 0.00 . . . . . . A 56 GLN H . 34535 1 738 . 1 . 1 56 56 GLN HA H 1 4.351 0.00 . . . . . . A 56 GLN HA . 34535 1 739 . 1 . 1 56 56 GLN HB2 H 1 2.133 0.00 . . . . . . A 56 GLN HB2 . 34535 1 740 . 1 . 1 56 56 GLN HB3 H 1 2.074 0.00 . . . . . . A 56 GLN HB3 . 34535 1 741 . 1 . 1 56 56 GLN HG2 H 1 2.474 0.00 . . . . . . A 56 GLN HG2 . 34535 1 742 . 1 . 1 56 56 GLN HG3 H 1 2.354 0.00 . . . . . . A 56 GLN HG3 . 34535 1 743 . 1 . 1 56 56 GLN HE21 H 1 7.531 0.00 . . . . . . A 56 GLN HE21 . 34535 1 744 . 1 . 1 56 56 GLN HE22 H 1 6.869 0.00 . . . . . . A 56 GLN HE22 . 34535 1 745 . 1 . 1 56 56 GLN C C 13 176.046 0.00 . . . . . . A 56 GLN C . 34535 1 746 . 1 . 1 56 56 GLN CA C 13 55.968 0.01 . . . . . . A 56 GLN CA . 34535 1 747 . 1 . 1 56 56 GLN CB C 13 30.390 0.01 . . . . . . A 56 GLN CB . 34535 1 748 . 1 . 1 56 56 GLN CG C 13 34.295 0.02 . . . . . . A 56 GLN CG . 34535 1 749 . 1 . 1 56 56 GLN N N 15 115.559 0.01 . . . . . . A 56 GLN N . 34535 1 750 . 1 . 1 56 56 GLN NE2 N 15 111.231 0.00 . . . . . . A 56 GLN NE2 . 34535 1 751 . 1 . 1 57 57 SER H H 1 7.584 0.00 . . . . . . A 57 SER H . 34535 1 752 . 1 . 1 57 57 SER HA H 1 4.357 0.00 . . . . . . A 57 SER HA . 34535 1 753 . 1 . 1 57 57 SER HB2 H 1 3.795 0.00 . . . . . . A 57 SER HB2 . 34535 1 754 . 1 . 1 57 57 SER HB3 H 1 3.821 0.00 . . . . . . A 57 SER HB3 . 34535 1 755 . 1 . 1 57 57 SER C C 13 175.564 0.00 . . . . . . A 57 SER C . 34535 1 756 . 1 . 1 57 57 SER CA C 13 58.655 0.01 . . . . . . A 57 SER CA . 34535 1 757 . 1 . 1 57 57 SER CB C 13 64.340 0.03 . . . . . . A 57 SER CB . 34535 1 758 . 1 . 1 57 57 SER N N 15 113.022 0.01 . . . . . . A 57 SER N . 34535 1 759 . 1 . 1 58 58 THR H H 1 8.471 0.00 . . . . . . A 58 THR H . 34535 1 760 . 1 . 1 58 58 THR HA H 1 4.514 0.00 . . . . . . A 58 THR HA . 34535 1 761 . 1 . 1 58 58 THR HB H 1 4.625 0.00 . . . . . . A 58 THR HB . 34535 1 762 . 1 . 1 58 58 THR HG21 H 1 1.229 0.00 . . . . . . A 58 THR HG21 . 34535 1 763 . 1 . 1 58 58 THR HG22 H 1 1.229 0.00 . . . . . . A 58 THR HG22 . 34535 1 764 . 1 . 1 58 58 THR HG23 H 1 1.229 0.00 . . . . . . A 58 THR HG23 . 34535 1 765 . 1 . 1 58 58 THR C C 13 173.795 0.00 . . . . . . A 58 THR C . 34535 1 766 . 1 . 1 58 58 THR CA C 13 60.987 0.05 . . . . . . A 58 THR CA . 34535 1 767 . 1 . 1 58 58 THR CB C 13 68.902 0.02 . . . . . . A 58 THR CB . 34535 1 768 . 1 . 1 58 58 THR CG2 C 13 21.504 0.00 . . . . . . A 58 THR CG2 . 34535 1 769 . 1 . 1 58 58 THR N N 15 116.269 0.01 . . . . . . A 58 THR N . 34535 1 770 . 1 . 1 59 59 ASP H H 1 8.270 0.00 . . . . . . A 59 ASP H . 34535 1 771 . 1 . 1 59 59 ASP HA H 1 4.816 0.00 . . . . . . A 59 ASP HA . 34535 1 772 . 1 . 1 59 59 ASP HB2 H 1 2.551 0.00 . . . . . . A 59 ASP HB2 . 34535 1 773 . 1 . 1 59 59 ASP HB3 H 1 2.760 0.00 . . . . . . A 59 ASP HB3 . 34535 1 774 . 1 . 1 59 59 ASP C C 13 176.412 0.00 . . . . . . A 59 ASP C . 34535 1 775 . 1 . 1 59 59 ASP CA C 13 53.298 0.00 . . . . . . A 59 ASP CA . 34535 1 776 . 1 . 1 59 59 ASP CB C 13 43.296 0.01 . . . . . . A 59 ASP CB . 34535 1 777 . 1 . 1 59 59 ASP N N 15 124.744 0.01 . . . . . . A 59 ASP N . 34535 1 778 . 1 . 1 60 60 GLU H H 1 9.170 0.00 . . . . . . A 60 GLU H . 34535 1 779 . 1 . 1 60 60 GLU HA H 1 4.078 0.00 . . . . . . A 60 GLU HA . 34535 1 780 . 1 . 1 60 60 GLU HB2 H 1 2.064 0.00 . . . . . . A 60 GLU HB2 . 34535 1 781 . 1 . 1 60 60 GLU HB3 H 1 2.064 0.00 . . . . . . A 60 GLU HB3 . 34535 1 782 . 1 . 1 60 60 GLU HG2 H 1 2.348 0.00 . . . . . . A 60 GLU HG2 . 34535 1 783 . 1 . 1 60 60 GLU HG3 H 1 2.348 0.00 . . . . . . A 60 GLU HG3 . 34535 1 784 . 1 . 1 60 60 GLU C C 13 178.487 0.00 . . . . . . A 60 GLU C . 34535 1 785 . 1 . 1 60 60 GLU CA C 13 59.459 0.05 . . . . . . A 60 GLU CA . 34535 1 786 . 1 . 1 60 60 GLU CB C 13 29.731 0.01 . . . . . . A 60 GLU CB . 34535 1 787 . 1 . 1 60 60 GLU CG C 13 36.316 0.05 . . . . . . A 60 GLU CG . 34535 1 788 . 1 . 1 60 60 GLU N N 15 128.038 0.01 . . . . . . A 60 GLU N . 34535 1 789 . 1 . 1 61 61 GLU H H 1 8.528 0.00 . . . . . . A 61 GLU H . 34535 1 790 . 1 . 1 61 61 GLU HA H 1 4.063 0.00 . . . . . . A 61 GLU HA . 34535 1 791 . 1 . 1 61 61 GLU HB2 H 1 2.064 0.00 . . . . . . A 61 GLU HB2 . 34535 1 792 . 1 . 1 61 61 GLU HB3 H 1 2.137 0.00 . . . . . . A 61 GLU HB3 . 34535 1 793 . 1 . 1 61 61 GLU HG2 H 1 2.368 0.00 . . . . . . A 61 GLU HG2 . 34535 1 794 . 1 . 1 61 61 GLU HG3 H 1 2.207 0.00 . . . . . . A 61 GLU HG3 . 34535 1 795 . 1 . 1 61 61 GLU C C 13 179.468 0.00 . . . . . . A 61 GLU C . 34535 1 796 . 1 . 1 61 61 GLU CA C 13 59.722 0.02 . . . . . . A 61 GLU CA . 34535 1 797 . 1 . 1 61 61 GLU CB C 13 29.572 0.02 . . . . . . A 61 GLU CB . 34535 1 798 . 1 . 1 61 61 GLU CG C 13 36.868 0.05 . . . . . . A 61 GLU CG . 34535 1 799 . 1 . 1 61 61 GLU N N 15 120.461 0.00 . . . . . . A 61 GLU N . 34535 1 800 . 1 . 1 62 62 VAL H H 1 7.763 0.00 . . . . . . A 62 VAL H . 34535 1 801 . 1 . 1 62 62 VAL HA H 1 3.399 0.00 . . . . . . A 62 VAL HA . 34535 1 802 . 1 . 1 62 62 VAL HB H 1 2.409 0.00 . . . . . . A 62 VAL HB . 34535 1 803 . 1 . 1 62 62 VAL HG11 H 1 0.750 0.00 . . . . . . A 62 VAL HG11 . 34535 1 804 . 1 . 1 62 62 VAL HG12 H 1 0.750 0.00 . . . . . . A 62 VAL HG12 . 34535 1 805 . 1 . 1 62 62 VAL HG13 H 1 0.750 0.00 . . . . . . A 62 VAL HG13 . 34535 1 806 . 1 . 1 62 62 VAL HG21 H 1 1.057 0.00 . . . . . . A 62 VAL HG21 . 34535 1 807 . 1 . 1 62 62 VAL HG22 H 1 1.057 0.00 . . . . . . A 62 VAL HG22 . 34535 1 808 . 1 . 1 62 62 VAL HG23 H 1 1.057 0.00 . . . . . . A 62 VAL HG23 . 34535 1 809 . 1 . 1 62 62 VAL C C 13 177.655 0.00 . . . . . . A 62 VAL C . 34535 1 810 . 1 . 1 62 62 VAL CA C 13 66.600 0.01 . . . . . . A 62 VAL CA . 34535 1 811 . 1 . 1 62 62 VAL CB C 13 32.030 0.07 . . . . . . A 62 VAL CB . 34535 1 812 . 1 . 1 62 62 VAL CG1 C 13 21.404 0.01 . . . . . . A 62 VAL CG1 . 34535 1 813 . 1 . 1 62 62 VAL CG2 C 13 23.984 0.02 . . . . . . A 62 VAL CG2 . 34535 1 814 . 1 . 1 62 62 VAL N N 15 120.463 0.01 . . . . . . A 62 VAL N . 34535 1 815 . 1 . 1 63 63 THR H H 1 8.551 0.00 . . . . . . A 63 THR H . 34535 1 816 . 1 . 1 63 63 THR HA H 1 3.615 0.01 . . . . . . A 63 THR HA . 34535 1 817 . 1 . 1 63 63 THR HB H 1 4.170 0.00 . . . . . . A 63 THR HB . 34535 1 818 . 1 . 1 63 63 THR HG21 H 1 1.289 0.00 . . . . . . A 63 THR HG21 . 34535 1 819 . 1 . 1 63 63 THR HG22 H 1 1.289 0.00 . . . . . . A 63 THR HG22 . 34535 1 820 . 1 . 1 63 63 THR HG23 H 1 1.289 0.00 . . . . . . A 63 THR HG23 . 34535 1 821 . 1 . 1 63 63 THR C C 13 176.790 0.00 . . . . . . A 63 THR C . 34535 1 822 . 1 . 1 63 63 THR CA C 13 67.406 0.01 . . . . . . A 63 THR CA . 34535 1 823 . 1 . 1 63 63 THR CB C 13 68.245 0.02 . . . . . . A 63 THR CB . 34535 1 824 . 1 . 1 63 63 THR CG2 C 13 22.760 0.00 . . . . . . A 63 THR CG2 . 34535 1 825 . 1 . 1 63 63 THR N N 15 114.043 0.00 . . . . . . A 63 THR N . 34535 1 826 . 1 . 1 64 64 SER H H 1 8.307 0.00 . . . . . . A 64 SER H . 34535 1 827 . 1 . 1 64 64 SER HA H 1 4.096 0.00 . . . . . . A 64 SER HA . 34535 1 828 . 1 . 1 64 64 SER HB2 H 1 3.994 0.00 . . . . . . A 64 SER HB2 . 34535 1 829 . 1 . 1 64 64 SER HB3 H 1 3.930 0.00 . . . . . . A 64 SER HB3 . 34535 1 830 . 1 . 1 64 64 SER C C 13 177.356 0.00 . . . . . . A 64 SER C . 34535 1 831 . 1 . 1 64 64 SER CA C 13 61.955 0.02 . . . . . . A 64 SER CA . 34535 1 832 . 1 . 1 64 64 SER CB C 13 62.800 0.01 . . . . . . A 64 SER CB . 34535 1 833 . 1 . 1 64 64 SER N N 15 116.411 0.01 . . . . . . A 64 SER N . 34535 1 834 . 1 . 1 65 65 LEU H H 1 7.777 0.00 . . . . . . A 65 LEU H . 34535 1 835 . 1 . 1 65 65 LEU HA H 1 4.178 0.00 . . . . . . A 65 LEU HA . 34535 1 836 . 1 . 1 65 65 LEU HB2 H 1 1.595 0.00 . . . . . . A 65 LEU HB2 . 34535 1 837 . 1 . 1 65 65 LEU HB3 H 1 1.748 0.00 . . . . . . A 65 LEU HB3 . 34535 1 838 . 1 . 1 65 65 LEU HG H 1 1.533 0.00 . . . . . . A 65 LEU HG . 34535 1 839 . 1 . 1 65 65 LEU HD11 H 1 0.810 0.00 . . . . . . A 65 LEU HD11 . 34535 1 840 . 1 . 1 65 65 LEU HD12 H 1 0.810 0.00 . . . . . . A 65 LEU HD12 . 34535 1 841 . 1 . 1 65 65 LEU HD13 H 1 0.810 0.00 . . . . . . A 65 LEU HD13 . 34535 1 842 . 1 . 1 65 65 LEU HD21 H 1 0.876 0.00 . . . . . . A 65 LEU HD21 . 34535 1 843 . 1 . 1 65 65 LEU HD22 H 1 0.876 0.00 . . . . . . A 65 LEU HD22 . 34535 1 844 . 1 . 1 65 65 LEU HD23 H 1 0.876 0.00 . . . . . . A 65 LEU HD23 . 34535 1 845 . 1 . 1 65 65 LEU C C 13 178.962 0.00 . . . . . . A 65 LEU C . 34535 1 846 . 1 . 1 65 65 LEU CA C 13 57.762 0.02 . . . . . . A 65 LEU CA . 34535 1 847 . 1 . 1 65 65 LEU CB C 13 41.593 0.01 . . . . . . A 65 LEU CB . 34535 1 848 . 1 . 1 65 65 LEU CG C 13 27.806 0.05 . . . . . . A 65 LEU CG . 34535 1 849 . 1 . 1 65 65 LEU CD1 C 13 26.343 0.05 . . . . . . A 65 LEU CD1 . 34535 1 850 . 1 . 1 65 65 LEU CD2 C 13 24.218 0.00 . . . . . . A 65 LEU CD2 . 34535 1 851 . 1 . 1 65 65 LEU N N 15 124.398 0.01 . . . . . . A 65 LEU N . 34535 1 852 . 1 . 1 66 66 ALA H H 1 8.669 0.00 . . . . . . A 66 ALA H . 34535 1 853 . 1 . 1 66 66 ALA HA H 1 3.730 0.00 . . . . . . A 66 ALA HA . 34535 1 854 . 1 . 1 66 66 ALA HB1 H 1 1.350 0.00 . . . . . . A 66 ALA HB1 . 34535 1 855 . 1 . 1 66 66 ALA HB2 H 1 1.350 0.00 . . . . . . A 66 ALA HB2 . 34535 1 856 . 1 . 1 66 66 ALA HB3 H 1 1.350 0.00 . . . . . . A 66 ALA HB3 . 34535 1 857 . 1 . 1 66 66 ALA C C 13 178.853 0.00 . . . . . . A 66 ALA C . 34535 1 858 . 1 . 1 66 66 ALA CA C 13 55.740 0.02 . . . . . . A 66 ALA CA . 34535 1 859 . 1 . 1 66 66 ALA CB C 13 17.798 0.04 . . . . . . A 66 ALA CB . 34535 1 860 . 1 . 1 66 66 ALA N N 15 120.977 0.02 . . . . . . A 66 ALA N . 34535 1 861 . 1 . 1 67 67 LYS H H 1 8.304 0.00 . . . . . . A 67 LYS H . 34535 1 862 . 1 . 1 67 67 LYS HA H 1 3.752 0.00 . . . . . . A 67 LYS HA . 34535 1 863 . 1 . 1 67 67 LYS HB2 H 1 1.870 0.00 . . . . . . A 67 LYS HB2 . 34535 1 864 . 1 . 1 67 67 LYS HB3 H 1 1.870 0.00 . . . . . . A 67 LYS HB3 . 34535 1 865 . 1 . 1 67 67 LYS HG2 H 1 1.614 0.00 . . . . . . A 67 LYS HG2 . 34535 1 866 . 1 . 1 67 67 LYS HG3 H 1 1.393 0.00 . . . . . . A 67 LYS HG3 . 34535 1 867 . 1 . 1 67 67 LYS HD2 H 1 1.653 0.01 . . . . . . A 67 LYS HD2 . 34535 1 868 . 1 . 1 67 67 LYS HD3 H 1 1.653 0.01 . . . . . . A 67 LYS HD3 . 34535 1 869 . 1 . 1 67 67 LYS HE2 H 1 2.922 0.00 . . . . . . A 67 LYS HE2 . 34535 1 870 . 1 . 1 67 67 LYS HE3 H 1 2.922 0.00 . . . . . . A 67 LYS HE3 . 34535 1 871 . 1 . 1 67 67 LYS C C 13 179.010 0.01 . . . . . . A 67 LYS C . 34535 1 872 . 1 . 1 67 67 LYS CA C 13 60.333 0.03 . . . . . . A 67 LYS CA . 34535 1 873 . 1 . 1 67 67 LYS CB C 13 32.628 0.00 . . . . . . A 67 LYS CB . 34535 1 874 . 1 . 1 67 67 LYS CG C 13 25.912 0.02 . . . . . . A 67 LYS CG . 34535 1 875 . 1 . 1 67 67 LYS CD C 13 29.834 0.03 . . . . . . A 67 LYS CD . 34535 1 876 . 1 . 1 67 67 LYS CE C 13 41.926 0.00 . . . . . . A 67 LYS CE . 34535 1 877 . 1 . 1 67 67 LYS N N 15 115.318 0.00 . . . . . . A 67 LYS N . 34535 1 878 . 1 . 1 68 68 SER H H 1 7.883 0.00 . . . . . . A 68 SER H . 34535 1 879 . 1 . 1 68 68 SER HA H 1 4.114 0.00 . . . . . . A 68 SER HA . 34535 1 880 . 1 . 1 68 68 SER HB2 H 1 3.970 0.00 . . . . . . A 68 SER HB2 . 34535 1 881 . 1 . 1 68 68 SER HB3 H 1 3.970 0.00 . . . . . . A 68 SER HB3 . 34535 1 882 . 1 . 1 68 68 SER C C 13 177.134 0.00 . . . . . . A 68 SER C . 34535 1 883 . 1 . 1 68 68 SER CA C 13 61.599 0.00 . . . . . . A 68 SER CA . 34535 1 884 . 1 . 1 68 68 SER CB C 13 62.742 0.00 . . . . . . A 68 SER CB . 34535 1 885 . 1 . 1 68 68 SER N N 15 115.576 0.01 . . . . . . A 68 SER N . 34535 1 886 . 1 . 1 69 69 LEU H H 1 7.902 0.00 . . . . . . A 69 LEU H . 34535 1 887 . 1 . 1 69 69 LEU HA H 1 3.410 0.00 . . . . . . A 69 LEU HA . 34535 1 888 . 1 . 1 69 69 LEU HB2 H 1 1.295 0.00 . . . . . . A 69 LEU HB2 . 34535 1 889 . 1 . 1 69 69 LEU HB3 H 1 -0.107 0.00 . . . . . . A 69 LEU HB3 . 34535 1 890 . 1 . 1 69 69 LEU HG H 1 1.251 0.00 . . . . . . A 69 LEU HG . 34535 1 891 . 1 . 1 69 69 LEU HD11 H 1 0.552 0.00 . . . . . . A 69 LEU HD11 . 34535 1 892 . 1 . 1 69 69 LEU HD12 H 1 0.552 0.00 . . . . . . A 69 LEU HD12 . 34535 1 893 . 1 . 1 69 69 LEU HD13 H 1 0.552 0.00 . . . . . . A 69 LEU HD13 . 34535 1 894 . 1 . 1 69 69 LEU HD21 H 1 0.658 0.00 . . . . . . A 69 LEU HD21 . 34535 1 895 . 1 . 1 69 69 LEU HD22 H 1 0.658 0.00 . . . . . . A 69 LEU HD22 . 34535 1 896 . 1 . 1 69 69 LEU HD23 H 1 0.658 0.00 . . . . . . A 69 LEU HD23 . 34535 1 897 . 1 . 1 69 69 LEU C C 13 177.206 0.00 . . . . . . A 69 LEU C . 34535 1 898 . 1 . 1 69 69 LEU CA C 13 57.541 0.01 . . . . . . A 69 LEU CA . 34535 1 899 . 1 . 1 69 69 LEU CB C 13 40.696 0.01 . . . . . . A 69 LEU CB . 34535 1 900 . 1 . 1 69 69 LEU CG C 13 26.471 0.08 . . . . . . A 69 LEU CG . 34535 1 901 . 1 . 1 69 69 LEU CD1 C 13 22.707 0.05 . . . . . . A 69 LEU CD1 . 34535 1 902 . 1 . 1 69 69 LEU CD2 C 13 26.637 0.00 . . . . . . A 69 LEU CD2 . 34535 1 903 . 1 . 1 69 69 LEU N N 15 124.361 0.01 . . . . . . A 69 LEU N . 34535 1 904 . 1 . 1 70 70 ILE H H 1 7.634 0.00 . . . . . . A 70 ILE H . 34535 1 905 . 1 . 1 70 70 ILE HA H 1 3.446 0.00 . . . . . . A 70 ILE HA . 34535 1 906 . 1 . 1 70 70 ILE HB H 1 1.799 0.00 . . . . . . A 70 ILE HB . 34535 1 907 . 1 . 1 70 70 ILE HG12 H 1 1.307 0.00 . . . . . . A 70 ILE HG12 . 34535 1 908 . 1 . 1 70 70 ILE HG13 H 1 1.544 0.00 . . . . . . A 70 ILE HG13 . 34535 1 909 . 1 . 1 70 70 ILE HG21 H 1 0.947 0.00 . . . . . . A 70 ILE HG21 . 34535 1 910 . 1 . 1 70 70 ILE HG22 H 1 0.947 0.00 . . . . . . A 70 ILE HG22 . 34535 1 911 . 1 . 1 70 70 ILE HG23 H 1 0.947 0.00 . . . . . . A 70 ILE HG23 . 34535 1 912 . 1 . 1 70 70 ILE HD11 H 1 0.813 0.00 . . . . . . A 70 ILE HD11 . 34535 1 913 . 1 . 1 70 70 ILE HD12 H 1 0.813 0.00 . . . . . . A 70 ILE HD12 . 34535 1 914 . 1 . 1 70 70 ILE HD13 H 1 0.813 0.00 . . . . . . A 70 ILE HD13 . 34535 1 915 . 1 . 1 70 70 ILE C C 13 178.711 0.00 . . . . . . A 70 ILE C . 34535 1 916 . 1 . 1 70 70 ILE CA C 13 64.547 0.05 . . . . . . A 70 ILE CA . 34535 1 917 . 1 . 1 70 70 ILE CB C 13 37.468 0.00 . . . . . . A 70 ILE CB . 34535 1 918 . 1 . 1 70 70 ILE CG1 C 13 28.655 0.02 . . . . . . A 70 ILE CG1 . 34535 1 919 . 1 . 1 70 70 ILE CG2 C 13 17.271 0.01 . . . . . . A 70 ILE CG2 . 34535 1 920 . 1 . 1 70 70 ILE CD1 C 13 12.509 0.12 . . . . . . A 70 ILE CD1 . 34535 1 921 . 1 . 1 70 70 ILE N N 15 117.312 0.01 . . . . . . A 70 ILE N . 34535 1 922 . 1 . 1 71 71 LYS H H 1 7.965 0.00 . . . . . . A 71 LYS H . 34535 1 923 . 1 . 1 71 71 LYS HA H 1 3.996 0.00 . . . . . . A 71 LYS HA . 34535 1 924 . 1 . 1 71 71 LYS HB2 H 1 1.869 0.00 . . . . . . A 71 LYS HB2 . 34535 1 925 . 1 . 1 71 71 LYS HB3 H 1 1.869 0.00 . . . . . . A 71 LYS HB3 . 34535 1 926 . 1 . 1 71 71 LYS HG2 H 1 1.526 0.00 . . . . . . A 71 LYS HG2 . 34535 1 927 . 1 . 1 71 71 LYS HG3 H 1 1.390 0.00 . . . . . . A 71 LYS HG3 . 34535 1 928 . 1 . 1 71 71 LYS HD2 H 1 1.682 0.00 . . . . . . A 71 LYS HD2 . 34535 1 929 . 1 . 1 71 71 LYS HD3 H 1 1.682 0.00 . . . . . . A 71 LYS HD3 . 34535 1 930 . 1 . 1 71 71 LYS HE2 H 1 2.971 0.00 . . . . . . A 71 LYS HE2 . 34535 1 931 . 1 . 1 71 71 LYS HE3 H 1 2.971 0.00 . . . . . . A 71 LYS HE3 . 34535 1 932 . 1 . 1 71 71 LYS C C 13 179.329 0.00 . . . . . . A 71 LYS C . 34535 1 933 . 1 . 1 71 71 LYS CA C 13 59.857 0.01 . . . . . . A 71 LYS CA . 34535 1 934 . 1 . 1 71 71 LYS CB C 13 32.435 0.01 . . . . . . A 71 LYS CB . 34535 1 935 . 1 . 1 71 71 LYS CG C 13 25.156 0.01 . . . . . . A 71 LYS CG . 34535 1 936 . 1 . 1 71 71 LYS CD C 13 29.533 0.02 . . . . . . A 71 LYS CD . 34535 1 937 . 1 . 1 71 71 LYS CE C 13 42.270 0.00 . . . . . . A 71 LYS CE . 34535 1 938 . 1 . 1 71 71 LYS N N 15 119.328 0.01 . . . . . . A 71 LYS N . 34535 1 939 . 1 . 1 72 72 SER H H 1 7.840 0.00 . . . . . . A 72 SER H . 34535 1 940 . 1 . 1 72 72 SER HA H 1 4.234 0.00 . . . . . . A 72 SER HA . 34535 1 941 . 1 . 1 72 72 SER HB2 H 1 3.943 0.00 . . . . . . A 72 SER HB2 . 34535 1 942 . 1 . 1 72 72 SER HB3 H 1 3.943 0.00 . . . . . . A 72 SER HB3 . 34535 1 943 . 1 . 1 72 72 SER C C 13 177.556 0.00 . . . . . . A 72 SER C . 34535 1 944 . 1 . 1 72 72 SER CA C 13 61.787 0.01 . . . . . . A 72 SER CA . 34535 1 945 . 1 . 1 72 72 SER CB C 13 62.797 0.00 . . . . . . A 72 SER CB . 34535 1 946 . 1 . 1 72 72 SER N N 15 116.136 0.02 . . . . . . A 72 SER N . 34535 1 947 . 1 . 1 73 73 TRP H H 1 8.599 0.00 . . . . . . A 73 TRP H . 34535 1 948 . 1 . 1 73 73 TRP HA H 1 4.733 0.00 . . . . . . A 73 TRP HA . 34535 1 949 . 1 . 1 73 73 TRP HB2 H 1 3.354 0.00 . . . . . . A 73 TRP HB2 . 34535 1 950 . 1 . 1 73 73 TRP HB3 H 1 3.228 0.00 . . . . . . A 73 TRP HB3 . 34535 1 951 . 1 . 1 73 73 TRP HD1 H 1 6.958 0.00 . . . . . . A 73 TRP HD1 . 34535 1 952 . 1 . 1 73 73 TRP HE1 H 1 10.203 0.00 . . . . . . A 73 TRP HE1 . 34535 1 953 . 1 . 1 73 73 TRP HE3 H 1 7.368 0.00 . . . . . . A 73 TRP HE3 . 34535 1 954 . 1 . 1 73 73 TRP HZ2 H 1 7.184 0.00 . . . . . . A 73 TRP HZ2 . 34535 1 955 . 1 . 1 73 73 TRP HZ3 H 1 6.656 0.00 . . . . . . A 73 TRP HZ3 . 34535 1 956 . 1 . 1 73 73 TRP HH2 H 1 6.863 0.00 . . . . . . A 73 TRP HH2 . 34535 1 957 . 1 . 1 73 73 TRP C C 13 178.570 0.00 . . . . . . A 73 TRP C . 34535 1 958 . 1 . 1 73 73 TRP CA C 13 57.054 0.02 . . . . . . A 73 TRP CA . 34535 1 959 . 1 . 1 73 73 TRP CB C 13 28.573 0.01 . . . . . . A 73 TRP CB . 34535 1 960 . 1 . 1 73 73 TRP CD1 C 13 123.521 0.00 . . . . . . A 73 TRP CD1 . 34535 1 961 . 1 . 1 73 73 TRP CE3 C 13 120.536 0.00 . . . . . . A 73 TRP CE3 . 34535 1 962 . 1 . 1 73 73 TRP CZ2 C 13 113.991 0.00 . . . . . . A 73 TRP CZ2 . 34535 1 963 . 1 . 1 73 73 TRP CZ3 C 13 120.213 0.00 . . . . . . A 73 TRP CZ3 . 34535 1 964 . 1 . 1 73 73 TRP CH2 C 13 123.370 0.00 . . . . . . A 73 TRP CH2 . 34535 1 965 . 1 . 1 73 73 TRP N N 15 124.050 0.00 . . . . . . A 73 TRP N . 34535 1 966 . 1 . 1 73 73 TRP NE1 N 15 127.127 0.00 . . . . . . A 73 TRP NE1 . 34535 1 967 . 1 . 1 74 74 LYS H H 1 8.435 0.00 . . . . . . A 74 LYS H . 34535 1 968 . 1 . 1 74 74 LYS HA H 1 4.087 0.00 . . . . . . A 74 LYS HA . 34535 1 969 . 1 . 1 74 74 LYS HB2 H 1 1.990 0.00 . . . . . . A 74 LYS HB2 . 34535 1 970 . 1 . 1 74 74 LYS HB3 H 1 2.040 0.00 . . . . . . A 74 LYS HB3 . 34535 1 971 . 1 . 1 74 74 LYS HG2 H 1 1.628 0.00 . . . . . . A 74 LYS HG2 . 34535 1 972 . 1 . 1 74 74 LYS HG3 H 1 1.559 0.00 . . . . . . A 74 LYS HG3 . 34535 1 973 . 1 . 1 74 74 LYS HD2 H 1 1.764 0.00 . . . . . . A 74 LYS HD2 . 34535 1 974 . 1 . 1 74 74 LYS HD3 H 1 1.764 0.00 . . . . . . A 74 LYS HD3 . 34535 1 975 . 1 . 1 74 74 LYS HE2 H 1 3.009 0.00 . . . . . . A 74 LYS HE2 . 34535 1 976 . 1 . 1 74 74 LYS HE3 H 1 3.009 0.00 . . . . . . A 74 LYS HE3 . 34535 1 977 . 1 . 1 74 74 LYS C C 13 178.670 0.01 . . . . . . A 74 LYS C . 34535 1 978 . 1 . 1 74 74 LYS CA C 13 59.570 0.06 . . . . . . A 74 LYS CA . 34535 1 979 . 1 . 1 74 74 LYS CB C 13 32.319 0.01 . . . . . . A 74 LYS CB . 34535 1 980 . 1 . 1 74 74 LYS CG C 13 25.448 0.07 . . . . . . A 74 LYS CG . 34535 1 981 . 1 . 1 74 74 LYS CD C 13 29.349 0.03 . . . . . . A 74 LYS CD . 34535 1 982 . 1 . 1 74 74 LYS N N 15 121.786 0.01 . . . . . . A 74 LYS N . 34535 1 983 . 1 . 1 75 75 LYS H H 1 7.463 0.00 . . . . . . A 75 LYS H . 34535 1 984 . 1 . 1 75 75 LYS HA H 1 4.206 0.01 . . . . . . A 75 LYS HA . 34535 1 985 . 1 . 1 75 75 LYS HB2 H 1 1.991 0.00 . . . . . . A 75 LYS HB2 . 34535 1 986 . 1 . 1 75 75 LYS HB3 H 1 1.991 0.00 . . . . . . A 75 LYS HB3 . 34535 1 987 . 1 . 1 75 75 LYS HG2 H 1 1.550 0.00 . . . . . . A 75 LYS HG2 . 34535 1 988 . 1 . 1 75 75 LYS HG3 H 1 1.666 0.00 . . . . . . A 75 LYS HG3 . 34535 1 989 . 1 . 1 75 75 LYS HD2 H 1 1.786 0.00 . . . . . . A 75 LYS HD2 . 34535 1 990 . 1 . 1 75 75 LYS HD3 H 1 1.786 0.00 . . . . . . A 75 LYS HD3 . 34535 1 991 . 1 . 1 75 75 LYS HE2 H 1 3.019 0.00 . . . . . . A 75 LYS HE2 . 34535 1 992 . 1 . 1 75 75 LYS HE3 H 1 3.019 0.00 . . . . . . A 75 LYS HE3 . 34535 1 993 . 1 . 1 75 75 LYS C C 13 178.987 0.00 . . . . . . A 75 LYS C . 34535 1 994 . 1 . 1 75 75 LYS CA C 13 58.757 0.01 . . . . . . A 75 LYS CA . 34535 1 995 . 1 . 1 75 75 LYS CB C 13 32.141 0.01 . . . . . . A 75 LYS CB . 34535 1 996 . 1 . 1 75 75 LYS CG C 13 25.086 0.03 . . . . . . A 75 LYS CG . 34535 1 997 . 1 . 1 75 75 LYS CD C 13 29.282 0.01 . . . . . . A 75 LYS CD . 34535 1 998 . 1 . 1 75 75 LYS CE C 13 42.124 0.00 . . . . . . A 75 LYS CE . 34535 1 999 . 1 . 1 75 75 LYS N N 15 116.795 0.01 . . . . . . A 75 LYS N . 34535 1 1000 . 1 . 1 76 76 LEU H H 1 7.526 0.00 . . . . . . A 76 LEU H . 34535 1 1001 . 1 . 1 76 76 LEU HA H 1 4.207 0.00 . . . . . . A 76 LEU HA . 34535 1 1002 . 1 . 1 76 76 LEU HB2 H 1 1.365 0.00 . . . . . . A 76 LEU HB2 . 34535 1 1003 . 1 . 1 76 76 LEU HB3 H 1 2.079 0.00 . . . . . . A 76 LEU HB3 . 34535 1 1004 . 1 . 1 76 76 LEU HG H 1 1.849 0.00 . . . . . . A 76 LEU HG . 34535 1 1005 . 1 . 1 76 76 LEU HD11 H 1 0.913 0.00 . . . . . . A 76 LEU HD11 . 34535 1 1006 . 1 . 1 76 76 LEU HD12 H 1 0.913 0.00 . . . . . . A 76 LEU HD12 . 34535 1 1007 . 1 . 1 76 76 LEU HD13 H 1 0.913 0.00 . . . . . . A 76 LEU HD13 . 34535 1 1008 . 1 . 1 76 76 LEU HD21 H 1 0.778 0.00 . . . . . . A 76 LEU HD21 . 34535 1 1009 . 1 . 1 76 76 LEU HD22 H 1 0.778 0.00 . . . . . . A 76 LEU HD22 . 34535 1 1010 . 1 . 1 76 76 LEU HD23 H 1 0.778 0.00 . . . . . . A 76 LEU HD23 . 34535 1 1011 . 1 . 1 76 76 LEU C C 13 178.768 0.00 . . . . . . A 76 LEU C . 34535 1 1012 . 1 . 1 76 76 LEU CA C 13 56.669 0.04 . . . . . . A 76 LEU CA . 34535 1 1013 . 1 . 1 76 76 LEU CB C 13 41.979 0.00 . . . . . . A 76 LEU CB . 34535 1 1014 . 1 . 1 76 76 LEU CG C 13 27.012 0.03 . . . . . . A 76 LEU CG . 34535 1 1015 . 1 . 1 76 76 LEU CD1 C 13 22.953 0.00 . . . . . . A 76 LEU CD1 . 34535 1 1016 . 1 . 1 76 76 LEU CD2 C 13 25.529 0.08 . . . . . . A 76 LEU CD2 . 34535 1 1017 . 1 . 1 76 76 LEU N N 15 117.751 0.00 . . . . . . A 76 LEU N . 34535 1 1018 . 1 . 1 77 77 LEU H H 1 7.583 0.00 . . . . . . A 77 LEU H . 34535 1 1019 . 1 . 1 77 77 LEU HA H 1 4.161 0.00 . . . . . . A 77 LEU HA . 34535 1 1020 . 1 . 1 77 77 LEU HB2 H 1 1.850 0.00 . . . . . . A 77 LEU HB2 . 34535 1 1021 . 1 . 1 77 77 LEU HB3 H 1 1.647 0.00 . . . . . . A 77 LEU HB3 . 34535 1 1022 . 1 . 1 77 77 LEU HG H 1 1.712 0.00 . . . . . . A 77 LEU HG . 34535 1 1023 . 1 . 1 77 77 LEU HD11 H 1 0.963 0.00 . . . . . . A 77 LEU HD11 . 34535 1 1024 . 1 . 1 77 77 LEU HD12 H 1 0.963 0.00 . . . . . . A 77 LEU HD12 . 34535 1 1025 . 1 . 1 77 77 LEU HD13 H 1 0.963 0.00 . . . . . . A 77 LEU HD13 . 34535 1 1026 . 1 . 1 77 77 LEU HD21 H 1 0.873 0.00 . . . . . . A 77 LEU HD21 . 34535 1 1027 . 1 . 1 77 77 LEU HD22 H 1 0.873 0.00 . . . . . . A 77 LEU HD22 . 34535 1 1028 . 1 . 1 77 77 LEU HD23 H 1 0.873 0.00 . . . . . . A 77 LEU HD23 . 34535 1 1029 . 1 . 1 77 77 LEU C C 13 178.159 0.00 . . . . . . A 77 LEU C . 34535 1 1030 . 1 . 1 77 77 LEU CA C 13 56.668 0.04 . . . . . . A 77 LEU CA . 34535 1 1031 . 1 . 1 77 77 LEU CB C 13 42.324 0.03 . . . . . . A 77 LEU CB . 34535 1 1032 . 1 . 1 77 77 LEU CG C 13 27.062 0.04 . . . . . . A 77 LEU CG . 34535 1 1033 . 1 . 1 77 77 LEU CD1 C 13 25.316 0.07 . . . . . . A 77 LEU CD1 . 34535 1 1034 . 1 . 1 77 77 LEU CD2 C 13 23.584 0.02 . . . . . . A 77 LEU CD2 . 34535 1 1035 . 1 . 1 77 77 LEU N N 15 118.501 0.00 . . . . . . A 77 LEU N . 34535 1 1036 . 1 . 1 78 78 ASP H H 1 8.132 0.00 . . . . . . A 78 ASP H . 34535 1 1037 . 1 . 1 78 78 ASP HA H 1 4.613 0.00 . . . . . . A 78 ASP HA . 34535 1 1038 . 1 . 1 78 78 ASP HB2 H 1 2.770 0.00 . . . . . . A 78 ASP HB2 . 34535 1 1039 . 1 . 1 78 78 ASP HB3 H 1 2.722 0.00 . . . . . . A 78 ASP HB3 . 34535 1 1040 . 1 . 1 78 78 ASP C C 13 177.343 0.00 . . . . . . A 78 ASP C . 34535 1 1041 . 1 . 1 78 78 ASP CA C 13 55.101 0.02 . . . . . . A 78 ASP CA . 34535 1 1042 . 1 . 1 78 78 ASP CB C 13 41.086 0.01 . . . . . . A 78 ASP CB . 34535 1 1043 . 1 . 1 78 78 ASP N N 15 118.936 0.01 . . . . . . A 78 ASP N . 34535 1 1044 . 1 . 1 79 79 GLY H H 1 8.007 0.00 . . . . . . A 79 GLY H . 34535 1 1045 . 1 . 1 79 79 GLY HA2 H 1 4.034 0.00 . . . . . . A 79 GLY HA2 . 34535 1 1046 . 1 . 1 79 79 GLY HA3 H 1 4.052 0.00 . . . . . . A 79 GLY HA3 . 34535 1 1047 . 1 . 1 79 79 GLY C C 13 174.939 0.00 . . . . . . A 79 GLY C . 34535 1 1048 . 1 . 1 79 79 GLY CA C 13 45.805 0.00 . . . . . . A 79 GLY CA . 34535 1 1049 . 1 . 1 79 79 GLY N N 15 108.317 0.00 . . . . . . A 79 GLY N . 34535 1 stop_ save_