data_25720 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25720 _Entry.Title ; Regnase-1 C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-18 _Entry.Accession_date 2015-07-27 _Entry.Last_release_date 2016-03-14 _Entry.Original_release_date 2016-03-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mariko Yokogawa . . . . 25720 2 Takashi Tsushima . . . . 25720 3 Nobuo Noda . N. . . 25720 4 Hiroyuki Kumeta . . . . 25720 5 Wakana Adachi . . . . 25720 6 Yoshiaki Enokizono . . . . 25720 7 Kazuo Yamashita . . . . 25720 8 Daron Standley . M. . . 25720 9 Osamu Takeuchi . . . . 25720 10 Shizuo Akira . . . . 25720 11 Fuyuhiko Inagaki . . . . 25720 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25720 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Regnase . 25720 Regnase-1 . 25720 Zc3h12a . 25720 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25720 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 25720 '15N chemical shifts' 58 25720 '1H chemical shifts' 418 25720 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 1 . . 2016-03-14 . original BMRB . 25720 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25718 'Regnase-1 N-terminal domain' 25720 BMRB 25719 'Regnase-1 Zinc finger domain' 25720 PDB 2N5K 'BMRB Entry Tracking System' 25720 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25720 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26927947 _Citation.Full_citation . _Citation.Title ; Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 22324 _Citation.Page_last 22324 _Citation.Year 2016 _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 Mariko Yokogawa . . . . 25720 1 2 Takashi Tsushima . . . . 25720 1 3 Nobuo Noda . N. . . 25720 1 4 Hiroyuki Kumeta . . . . 25720 1 5 Wakana Adachi . . . . 25720 1 6 Yoshiaki Enokizono . . . . 25720 1 7 Kazuo Yamashita . . . . 25720 1 8 Daron Standley . M. . . 25720 1 9 Osamu Takeuchi . . . . 25720 1 10 Shizuo Akira . . . . 25720 1 11 Fuyuhiko Inagaki . . . . 25720 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25720 _Assembly.ID 1 _Assembly.Name 'Regnase-1 C-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25720 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25720 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPHMGDLAKERAGVYTKLCG VFPPHLVEAVMRRFPQLLDP QQLAAEILSYKSQHLSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6383.458 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 540 GLY . 25720 1 2 541 PRO . 25720 1 3 542 HIS . 25720 1 4 543 MET . 25720 1 5 544 GLY . 25720 1 6 545 ASP . 25720 1 7 546 LEU . 25720 1 8 547 ALA . 25720 1 9 548 LYS . 25720 1 10 549 GLU . 25720 1 11 550 ARG . 25720 1 12 551 ALA . 25720 1 13 552 GLY . 25720 1 14 553 VAL . 25720 1 15 554 TYR . 25720 1 16 555 THR . 25720 1 17 556 LYS . 25720 1 18 557 LEU . 25720 1 19 558 CYS . 25720 1 20 559 GLY . 25720 1 21 560 VAL . 25720 1 22 561 PHE . 25720 1 23 562 PRO . 25720 1 24 563 PRO . 25720 1 25 564 HIS . 25720 1 26 565 LEU . 25720 1 27 566 VAL . 25720 1 28 567 GLU . 25720 1 29 568 ALA . 25720 1 30 569 VAL . 25720 1 31 570 MET . 25720 1 32 571 ARG . 25720 1 33 572 ARG . 25720 1 34 573 PHE . 25720 1 35 574 PRO . 25720 1 36 575 GLN . 25720 1 37 576 LEU . 25720 1 38 577 LEU . 25720 1 39 578 ASP . 25720 1 40 579 PRO . 25720 1 41 580 GLN . 25720 1 42 581 GLN . 25720 1 43 582 LEU . 25720 1 44 583 ALA . 25720 1 45 584 ALA . 25720 1 46 585 GLU . 25720 1 47 586 ILE . 25720 1 48 587 LEU . 25720 1 49 588 SER . 25720 1 50 589 TYR . 25720 1 51 590 LYS . 25720 1 52 591 SER . 25720 1 53 592 GLN . 25720 1 54 593 HIS . 25720 1 55 594 LEU . 25720 1 56 595 SER . 25720 1 57 596 GLU . 25720 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25720 1 . PRO 2 2 25720 1 . HIS 3 3 25720 1 . MET 4 4 25720 1 . GLY 5 5 25720 1 . ASP 6 6 25720 1 . LEU 7 7 25720 1 . ALA 8 8 25720 1 . LYS 9 9 25720 1 . GLU 10 10 25720 1 . ARG 11 11 25720 1 . ALA 12 12 25720 1 . GLY 13 13 25720 1 . VAL 14 14 25720 1 . TYR 15 15 25720 1 . THR 16 16 25720 1 . LYS 17 17 25720 1 . LEU 18 18 25720 1 . CYS 19 19 25720 1 . GLY 20 20 25720 1 . VAL 21 21 25720 1 . PHE 22 22 25720 1 . PRO 23 23 25720 1 . PRO 24 24 25720 1 . HIS 25 25 25720 1 . LEU 26 26 25720 1 . VAL 27 27 25720 1 . GLU 28 28 25720 1 . ALA 29 29 25720 1 . VAL 30 30 25720 1 . MET 31 31 25720 1 . ARG 32 32 25720 1 . ARG 33 33 25720 1 . PHE 34 34 25720 1 . PRO 35 35 25720 1 . GLN 36 36 25720 1 . LEU 37 37 25720 1 . LEU 38 38 25720 1 . ASP 39 39 25720 1 . PRO 40 40 25720 1 . GLN 41 41 25720 1 . GLN 42 42 25720 1 . LEU 43 43 25720 1 . ALA 44 44 25720 1 . ALA 45 45 25720 1 . GLU 46 46 25720 1 . ILE 47 47 25720 1 . LEU 48 48 25720 1 . SER 49 49 25720 1 . TYR 50 50 25720 1 . LYS 51 51 25720 1 . SER 52 52 25720 1 . GLN 53 53 25720 1 . HIS 54 54 25720 1 . LEU 55 55 25720 1 . SER 56 56 25720 1 . GLU 57 57 25720 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 25720 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25720 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 25720 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pGEX6p . . . 25720 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25720 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Reg1_CTD '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 2.3 . . mM . . . . 25720 1 2 DSS 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 25720 1 3 D2O [U-2H] . . . . . solvent 20 . . uL . . . . 25720 1 4 HEPES 'natural abundance' . . . . . buffer 20 . . mM . . . . 25720 1 5 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 25720 1 6 H2O 'natural abundance' . . . . . solvent 90 . . '% v/v' . . . . 25720 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 25720 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 25720 1 pH 6.8 . pH 25720 1 pressure 1 . atm 25720 1 temperature 298 . K 25720 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 25720 _Software.ID 1 _Software.Name VNMR _Software.Version 6,1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25720 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25720 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25720 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25720 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25720 2 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 25720 _Software.ID 3 _Software.Name Olivia _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masashi Yokochi' . . 25720 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25720 3 'data analysis' 25720 3 'peak picking' 25720 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25720 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25720 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25720 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25720 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25720 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25720 5 'structure solution' 25720 5 stop_ save_ save_rnmrtk _Software.Sf_category software _Software.Sf_framecode rnmrtk _Software.Entry_ID 25720 _Software.ID 6 _Software.Name rnmrtk _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JC Hoch and AS Sterm' . . 25720 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25720 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_pegasus600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode pegasus600 _NMR_spectrometer.Entry_ID 25720 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25720 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 pegasus600 Agilent INOVA . 600 . . . 25720 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 25720 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 8 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 10 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 14 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 15 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 16 '3D HCCH-TOCSY Aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 17 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 18 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 19 '3D HCCH-TOCSY Aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25720 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25720 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 25720 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25720 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25720 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25720 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25720 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 25720 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25720 1 5 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 25720 1 8 '3D (HCA)CO(CA)NH' 1 $sample_1 isotropic 25720 1 12 '3D HNCO' 1 $sample_1 isotropic 25720 1 20 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25720 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Olivia . . 25720 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.044 0.001 . . . . . A 540 GLY HA2 . 25720 1 2 . 1 1 1 1 GLY HA3 H 1 4.044 0.001 . . . . . A 540 GLY HA3 . 25720 1 3 . 1 1 1 1 GLY CA C 13 43.435 0.01 . . . . . A 540 GLY CA . 25720 1 4 . 1 1 2 2 PRO HA H 1 4.522 0.001 . . . . . A 541 PRO HA . 25720 1 5 . 1 1 2 2 PRO HB2 H 1 2.330 0.001 . . . . . A 541 PRO HB2 . 25720 1 6 . 1 1 2 2 PRO HB3 H 1 1.911 0.001 . . . . . A 541 PRO HB3 . 25720 1 7 . 1 1 2 2 PRO HG2 H 1 2.059 0.001 . . . . . A 541 PRO HG2 . 25720 1 8 . 1 1 2 2 PRO HG3 H 1 1.999 0.001 . . . . . A 541 PRO HG3 . 25720 1 9 . 1 1 2 2 PRO HD2 H 1 3.618 0.001 . . . . . A 541 PRO HD2 . 25720 1 10 . 1 1 2 2 PRO HD3 H 1 3.618 0.001 . . . . . A 541 PRO HD3 . 25720 1 11 . 1 1 2 2 PRO C C 13 176.657 0.01 . . . . . A 541 PRO C . 25720 1 12 . 1 1 2 2 PRO CA C 13 63.068 0.01 . . . . . A 541 PRO CA . 25720 1 13 . 1 1 2 2 PRO CB C 13 32.427 0.01 . . . . . A 541 PRO CB . 25720 1 14 . 1 1 2 2 PRO CG C 13 27.056 0.01 . . . . . A 541 PRO CG . 25720 1 15 . 1 1 2 2 PRO CD C 13 49.699 0.01 . . . . . A 541 PRO CD . 25720 1 16 . 1 1 3 3 HIS H H 1 8.743 0.001 . . . . . A 542 HIS H . 25720 1 17 . 1 1 3 3 HIS HA H 1 4.728 0.001 . . . . . A 542 HIS HA . 25720 1 18 . 1 1 3 3 HIS HB2 H 1 3.283 0.001 . . . . . A 542 HIS HB2 . 25720 1 19 . 1 1 3 3 HIS HB3 H 1 3.234 0.001 . . . . . A 542 HIS HB3 . 25720 1 20 . 1 1 3 3 HIS HD2 H 1 7.254 0.001 . . . . . A 542 HIS HD2 . 25720 1 21 . 1 1 3 3 HIS HE1 H 1 8.288 0.001 . . . . . A 542 HIS HE1 . 25720 1 22 . 1 1 3 3 HIS C C 13 175.238 0.01 . . . . . A 542 HIS C . 25720 1 23 . 1 1 3 3 HIS CA C 13 56.021 0.01 . . . . . A 542 HIS CA . 25720 1 24 . 1 1 3 3 HIS CB C 13 29.922 0.01 . . . . . A 542 HIS CB . 25720 1 25 . 1 1 3 3 HIS CD2 C 13 120.089 0.01 . . . . . A 542 HIS CD2 . 25720 1 26 . 1 1 3 3 HIS CE1 C 13 137.580 0.01 . . . . . A 542 HIS CE1 . 25720 1 27 . 1 1 3 3 HIS N N 15 120.098 0.03 . . . . . A 542 HIS N . 25720 1 28 . 1 1 4 4 MET H H 1 8.546 0.001 . . . . . A 543 MET H . 25720 1 29 . 1 1 4 4 MET HA H 1 4.507 0.001 . . . . . A 543 MET HA . 25720 1 30 . 1 1 4 4 MET HB2 H 1 2.130 0.001 . . . . . A 543 MET HB2 . 25720 1 31 . 1 1 4 4 MET HB3 H 1 2.056 0.001 . . . . . A 543 MET HB3 . 25720 1 32 . 1 1 4 4 MET HG2 H 1 2.635 0.001 . . . . . A 543 MET HG2 . 25720 1 33 . 1 1 4 4 MET HG3 H 1 2.559 0.001 . . . . . A 543 MET HG3 . 25720 1 34 . 1 1 4 4 MET HE1 H 1 2.133 0.001 . . . . . A 543 MET HE1 . 25720 1 35 . 1 1 4 4 MET HE2 H 1 2.133 0.001 . . . . . A 543 MET HE2 . 25720 1 36 . 1 1 4 4 MET HE3 H 1 2.133 0.001 . . . . . A 543 MET HE3 . 25720 1 37 . 1 1 4 4 MET C C 13 176.770 0.01 . . . . . A 543 MET C . 25720 1 38 . 1 1 4 4 MET CA C 13 55.942 0.01 . . . . . A 543 MET CA . 25720 1 39 . 1 1 4 4 MET CB C 13 32.832 0.01 . . . . . A 543 MET CB . 25720 1 40 . 1 1 4 4 MET CG C 13 32.030 0.01 . . . . . A 543 MET CG . 25720 1 41 . 1 1 4 4 MET CE C 13 17.030 0.01 . . . . . A 543 MET CE . 25720 1 42 . 1 1 4 4 MET N N 15 122.677 0.03 . . . . . A 543 MET N . 25720 1 43 . 1 1 5 5 GLY H H 1 8.547 0.001 . . . . . A 544 GLY H . 25720 1 44 . 1 1 5 5 GLY HA2 H 1 4.026 0.001 . . . . . A 544 GLY HA2 . 25720 1 45 . 1 1 5 5 GLY HA3 H 1 4.026 0.001 . . . . . A 544 GLY HA3 . 25720 1 46 . 1 1 5 5 GLY C C 13 174.076 0.01 . . . . . A 544 GLY C . 25720 1 47 . 1 1 5 5 GLY CA C 13 45.535 0.01 . . . . . A 544 GLY CA . 25720 1 48 . 1 1 5 5 GLY N N 15 110.158 0.03 . . . . . A 544 GLY N . 25720 1 49 . 1 1 6 6 ASP H H 1 8.329 0.001 . . . . . A 545 ASP H . 25720 1 50 . 1 1 6 6 ASP HA H 1 4.652 0.001 . . . . . A 545 ASP HA . 25720 1 51 . 1 1 6 6 ASP HB2 H 1 2.857 0.001 . . . . . A 545 ASP HB2 . 25720 1 52 . 1 1 6 6 ASP HB3 H 1 2.723 0.001 . . . . . A 545 ASP HB3 . 25720 1 53 . 1 1 6 6 ASP C C 13 177.117 0.01 . . . . . A 545 ASP C . 25720 1 54 . 1 1 6 6 ASP CA C 13 54.923 0.01 . . . . . A 545 ASP CA . 25720 1 55 . 1 1 6 6 ASP CB C 13 41.081 0.01 . . . . . A 545 ASP CB . 25720 1 56 . 1 1 6 6 ASP N N 15 120.935 0.03 . . . . . A 545 ASP N . 25720 1 57 . 1 1 7 7 LEU H H 1 8.367 0.001 . . . . . A 546 LEU H . 25720 1 58 . 1 1 7 7 LEU HA H 1 4.289 0.001 . . . . . A 546 LEU HA . 25720 1 59 . 1 1 7 7 LEU HB2 H 1 1.746 0.001 . . . . . A 546 LEU HB2 . 25720 1 60 . 1 1 7 7 LEU HB3 H 1 1.682 0.001 . . . . . A 546 LEU HB3 . 25720 1 61 . 1 1 7 7 LEU HG H 1 1.681 0.001 . . . . . A 546 LEU HG . 25720 1 62 . 1 1 7 7 LEU HD11 H 1 0.967 0.001 . . . . . A 546 LEU HD11 . 25720 1 63 . 1 1 7 7 LEU HD12 H 1 0.967 0.001 . . . . . A 546 LEU HD12 . 25720 1 64 . 1 1 7 7 LEU HD13 H 1 0.967 0.001 . . . . . A 546 LEU HD13 . 25720 1 65 . 1 1 7 7 LEU HD21 H 1 0.916 0.001 . . . . . A 546 LEU HD21 . 25720 1 66 . 1 1 7 7 LEU HD22 H 1 0.916 0.001 . . . . . A 546 LEU HD22 . 25720 1 67 . 1 1 7 7 LEU HD23 H 1 0.916 0.001 . . . . . A 546 LEU HD23 . 25720 1 68 . 1 1 7 7 LEU C C 13 178.116 0.01 . . . . . A 546 LEU C . 25720 1 69 . 1 1 7 7 LEU CA C 13 57.050 0.01 . . . . . A 546 LEU CA . 25720 1 70 . 1 1 7 7 LEU CB C 13 41.920 0.01 . . . . . A 546 LEU CB . 25720 1 71 . 1 1 7 7 LEU CG C 13 27.145 0.01 . . . . . A 546 LEU CG . 25720 1 72 . 1 1 7 7 LEU CD1 C 13 24.895 0.01 . . . . . A 546 LEU CD1 . 25720 1 73 . 1 1 7 7 LEU CD2 C 13 24.136 0.01 . . . . . A 546 LEU CD2 . 25720 1 74 . 1 1 7 7 LEU N N 15 123.845 0.03 . . . . . A 546 LEU N . 25720 1 75 . 1 1 8 8 ALA H H 1 8.206 0.001 . . . . . A 547 ALA H . 25720 1 76 . 1 1 8 8 ALA HA H 1 4.159 0.001 . . . . . A 547 ALA HA . 25720 1 77 . 1 1 8 8 ALA HB1 H 1 1.524 0.001 . . . . . A 547 ALA HB1 . 25720 1 78 . 1 1 8 8 ALA HB2 H 1 1.524 0.001 . . . . . A 547 ALA HB2 . 25720 1 79 . 1 1 8 8 ALA HB3 H 1 1.524 0.001 . . . . . A 547 ALA HB3 . 25720 1 80 . 1 1 8 8 ALA C C 13 180.596 0.01 . . . . . A 547 ALA C . 25720 1 81 . 1 1 8 8 ALA CA C 13 54.963 0.01 . . . . . A 547 ALA CA . 25720 1 82 . 1 1 8 8 ALA CB C 13 18.410 0.01 . . . . . A 547 ALA CB . 25720 1 83 . 1 1 8 8 ALA N N 15 121.881 0.03 . . . . . A 547 ALA N . 25720 1 84 . 1 1 9 9 LYS H H 1 8.146 0.001 . . . . . A 548 LYS H . 25720 1 85 . 1 1 9 9 LYS HA H 1 4.166 0.001 . . . . . A 548 LYS HA . 25720 1 86 . 1 1 9 9 LYS HB2 H 1 1.969 0.001 . . . . . A 548 LYS HB2 . 25720 1 87 . 1 1 9 9 LYS HB3 H 1 1.969 0.001 . . . . . A 548 LYS HB3 . 25720 1 88 . 1 1 9 9 LYS HG2 H 1 1.600 0.001 . . . . . A 548 LYS HG2 . 25720 1 89 . 1 1 9 9 LYS HG3 H 1 1.482 0.001 . . . . . A 548 LYS HG3 . 25720 1 90 . 1 1 9 9 LYS HD2 H 1 1.773 0.001 . . . . . A 548 LYS HD2 . 25720 1 91 . 1 1 9 9 LYS HD3 H 1 1.773 0.001 . . . . . A 548 LYS HD3 . 25720 1 92 . 1 1 9 9 LYS HE2 H 1 3.067 0.001 . . . . . A 548 LYS HE2 . 25720 1 93 . 1 1 9 9 LYS HE3 H 1 3.067 0.001 . . . . . A 548 LYS HE3 . 25720 1 94 . 1 1 9 9 LYS C C 13 179.449 0.01 . . . . . A 548 LYS C . 25720 1 95 . 1 1 9 9 LYS CA C 13 59.141 0.01 . . . . . A 548 LYS CA . 25720 1 96 . 1 1 9 9 LYS CB C 13 32.491 0.01 . . . . . A 548 LYS CB . 25720 1 97 . 1 1 9 9 LYS CG C 13 25.225 0.01 . . . . . A 548 LYS CG . 25720 1 98 . 1 1 9 9 LYS CD C 13 29.366 0.01 . . . . . A 548 LYS CD . 25720 1 99 . 1 1 9 9 LYS CE C 13 42.183 0.01 . . . . . A 548 LYS CE . 25720 1 100 . 1 1 9 9 LYS N N 15 119.751 0.03 . . . . . A 548 LYS N . 25720 1 101 . 1 1 10 10 GLU H H 1 8.539 0.001 . . . . . A 549 GLU H . 25720 1 102 . 1 1 10 10 GLU HA H 1 4.222 0.001 . . . . . A 549 GLU HA . 25720 1 103 . 1 1 10 10 GLU HB2 H 1 2.189 0.001 . . . . . A 549 GLU HB2 . 25720 1 104 . 1 1 10 10 GLU HB3 H 1 2.189 0.001 . . . . . A 549 GLU HB3 . 25720 1 105 . 1 1 10 10 GLU HG2 H 1 2.403 0.001 . . . . . A 549 GLU HG2 . 25720 1 106 . 1 1 10 10 GLU HG3 H 1 2.403 0.001 . . . . . A 549 GLU HG3 . 25720 1 107 . 1 1 10 10 GLU C C 13 179.495 0.01 . . . . . A 549 GLU C . 25720 1 108 . 1 1 10 10 GLU CA C 13 59.313 0.01 . . . . . A 549 GLU CA . 25720 1 109 . 1 1 10 10 GLU CB C 13 29.474 0.01 . . . . . A 549 GLU CB . 25720 1 110 . 1 1 10 10 GLU CG C 13 36.300 0.01 . . . . . A 549 GLU CG . 25720 1 111 . 1 1 10 10 GLU N N 15 121.677 0.03 . . . . . A 549 GLU N . 25720 1 112 . 1 1 11 11 ARG H H 1 8.671 0.001 . . . . . A 550 ARG H . 25720 1 113 . 1 1 11 11 ARG HA H 1 3.904 0.001 . . . . . A 550 ARG HA . 25720 1 114 . 1 1 11 11 ARG HB2 H 1 1.961 0.001 . . . . . A 550 ARG HB2 . 25720 1 115 . 1 1 11 11 ARG HB3 H 1 1.889 0.001 . . . . . A 550 ARG HB3 . 25720 1 116 . 1 1 11 11 ARG HG2 H 1 1.766 0.001 . . . . . A 550 ARG HG2 . 25720 1 117 . 1 1 11 11 ARG HG3 H 1 1.629 0.001 . . . . . A 550 ARG HG3 . 25720 1 118 . 1 1 11 11 ARG HD2 H 1 3.203 0.001 . . . . . A 550 ARG HD2 . 25720 1 119 . 1 1 11 11 ARG HD3 H 1 3.203 0.001 . . . . . A 550 ARG HD3 . 25720 1 120 . 1 1 11 11 ARG HE H 1 7.425 0.001 . . . . . A 550 ARG HE . 25720 1 121 . 1 1 11 11 ARG C C 13 177.602 0.01 . . . . . A 550 ARG C . 25720 1 122 . 1 1 11 11 ARG CA C 13 59.656 0.01 . . . . . A 550 ARG CA . 25720 1 123 . 1 1 11 11 ARG CB C 13 30.179 0.01 . . . . . A 550 ARG CB . 25720 1 124 . 1 1 11 11 ARG CG C 13 28.302 0.01 . . . . . A 550 ARG CG . 25720 1 125 . 1 1 11 11 ARG CD C 13 43.392 0.01 . . . . . A 550 ARG CD . 25720 1 126 . 1 1 11 11 ARG CZ C 13 159.678 0.01 . . . . . A 550 ARG CZ . 25720 1 127 . 1 1 11 11 ARG N N 15 119.928 0.03 . . . . . A 550 ARG N . 25720 1 128 . 1 1 11 11 ARG NE N 15 84.565 0.03 . . . . . A 550 ARG NE . 25720 1 129 . 1 1 12 12 ALA H H 1 7.995 0.001 . . . . . A 551 ALA H . 25720 1 130 . 1 1 12 12 ALA HA H 1 4.271 0.001 . . . . . A 551 ALA HA . 25720 1 131 . 1 1 12 12 ALA HB1 H 1 1.576 0.001 . . . . . A 551 ALA HB1 . 25720 1 132 . 1 1 12 12 ALA HB2 H 1 1.576 0.001 . . . . . A 551 ALA HB2 . 25720 1 133 . 1 1 12 12 ALA HB3 H 1 1.576 0.001 . . . . . A 551 ALA HB3 . 25720 1 134 . 1 1 12 12 ALA C C 13 180.678 0.01 . . . . . A 551 ALA C . 25720 1 135 . 1 1 12 12 ALA CA C 13 55.224 0.01 . . . . . A 551 ALA CA . 25720 1 136 . 1 1 12 12 ALA CB C 13 18.058 0.01 . . . . . A 551 ALA CB . 25720 1 137 . 1 1 12 12 ALA N N 15 121.418 0.03 . . . . . A 551 ALA N . 25720 1 138 . 1 1 13 13 GLY H H 1 8.130 0.001 . . . . . A 552 GLY H . 25720 1 139 . 1 1 13 13 GLY HA2 H 1 4.093 0.001 . . . . . A 552 GLY HA2 . 25720 1 140 . 1 1 13 13 GLY HA3 H 1 4.034 0.001 . . . . . A 552 GLY HA3 . 25720 1 141 . 1 1 13 13 GLY C C 13 176.364 0.01 . . . . . A 552 GLY C . 25720 1 142 . 1 1 13 13 GLY CA C 13 47.264 0.01 . . . . . A 552 GLY CA . 25720 1 143 . 1 1 13 13 GLY N N 15 106.609 0.03 . . . . . A 552 GLY N . 25720 1 144 . 1 1 14 14 VAL H H 1 8.013 0.001 . . . . . A 553 VAL H . 25720 1 145 . 1 1 14 14 VAL HA H 1 3.724 0.001 . . . . . A 553 VAL HA . 25720 1 146 . 1 1 14 14 VAL HB H 1 2.246 0.001 . . . . . A 553 VAL HB . 25720 1 147 . 1 1 14 14 VAL HG11 H 1 1.240 0.001 . . . . . A 553 VAL HG11 . 25720 1 148 . 1 1 14 14 VAL HG12 H 1 1.240 0.001 . . . . . A 553 VAL HG12 . 25720 1 149 . 1 1 14 14 VAL HG13 H 1 1.240 0.001 . . . . . A 553 VAL HG13 . 25720 1 150 . 1 1 14 14 VAL HG21 H 1 0.988 0.001 . . . . . A 553 VAL HG21 . 25720 1 151 . 1 1 14 14 VAL HG22 H 1 0.988 0.001 . . . . . A 553 VAL HG22 . 25720 1 152 . 1 1 14 14 VAL HG23 H 1 0.988 0.001 . . . . . A 553 VAL HG23 . 25720 1 153 . 1 1 14 14 VAL C C 13 177.093 0.01 . . . . . A 553 VAL C . 25720 1 154 . 1 1 14 14 VAL CA C 13 66.952 0.01 . . . . . A 553 VAL CA . 25720 1 155 . 1 1 14 14 VAL CB C 13 32.078 0.01 . . . . . A 553 VAL CB . 25720 1 156 . 1 1 14 14 VAL CG1 C 13 23.899 0.01 . . . . . A 553 VAL CG1 . 25720 1 157 . 1 1 14 14 VAL CG2 C 13 21.893 0.01 . . . . . A 553 VAL CG2 . 25720 1 158 . 1 1 14 14 VAL N N 15 123.365 0.03 . . . . . A 553 VAL N . 25720 1 159 . 1 1 15 15 TYR H H 1 8.466 0.001 . . . . . A 554 TYR H . 25720 1 160 . 1 1 15 15 TYR HA H 1 4.151 0.001 . . . . . A 554 TYR HA . 25720 1 161 . 1 1 15 15 TYR HB2 H 1 3.330 0.001 . . . . . A 554 TYR HB2 . 25720 1 162 . 1 1 15 15 TYR HB3 H 1 3.052 0.001 . . . . . A 554 TYR HB3 . 25720 1 163 . 1 1 15 15 TYR HD1 H 1 7.204 0.001 . . . . . A 554 TYR HD1 . 25720 1 164 . 1 1 15 15 TYR HD2 H 1 7.204 0.001 . . . . . A 554 TYR HD2 . 25720 1 165 . 1 1 15 15 TYR HE1 H 1 6.727 0.001 . . . . . A 554 TYR HE1 . 25720 1 166 . 1 1 15 15 TYR HE2 H 1 6.727 0.001 . . . . . A 554 TYR HE2 . 25720 1 167 . 1 1 15 15 TYR C C 13 177.675 0.01 . . . . . A 554 TYR C . 25720 1 168 . 1 1 15 15 TYR CA C 13 62.103 0.01 . . . . . A 554 TYR CA . 25720 1 169 . 1 1 15 15 TYR CB C 13 38.332 0.01 . . . . . A 554 TYR CB . 25720 1 170 . 1 1 15 15 TYR CD1 C 13 133.562 0.01 . . . . . A 554 TYR CD1 . 25720 1 171 . 1 1 15 15 TYR CD2 C 13 133.562 0.01 . . . . . A 554 TYR CD2 . 25720 1 172 . 1 1 15 15 TYR CE1 C 13 118.638 0.01 . . . . . A 554 TYR CE1 . 25720 1 173 . 1 1 15 15 TYR CE2 C 13 118.638 0.01 . . . . . A 554 TYR CE2 . 25720 1 174 . 1 1 15 15 TYR N N 15 121.204 0.03 . . . . . A 554 TYR N . 25720 1 175 . 1 1 16 16 THR H H 1 8.349 0.001 . . . . . A 555 THR H . 25720 1 176 . 1 1 16 16 THR HA H 1 3.710 0.001 . . . . . A 555 THR HA . 25720 1 177 . 1 1 16 16 THR HB H 1 4.371 0.001 . . . . . A 555 THR HB . 25720 1 178 . 1 1 16 16 THR HG21 H 1 1.344 0.001 . . . . . A 555 THR HG21 . 25720 1 179 . 1 1 16 16 THR HG22 H 1 1.344 0.001 . . . . . A 555 THR HG22 . 25720 1 180 . 1 1 16 16 THR HG23 H 1 1.344 0.001 . . . . . A 555 THR HG23 . 25720 1 181 . 1 1 16 16 THR C C 13 177.299 0.01 . . . . . A 555 THR C . 25720 1 182 . 1 1 16 16 THR CA C 13 67.315 0.01 . . . . . A 555 THR CA . 25720 1 183 . 1 1 16 16 THR CB C 13 68.936 0.01 . . . . . A 555 THR CB . 25720 1 184 . 1 1 16 16 THR CG2 C 13 21.913 0.01 . . . . . A 555 THR CG2 . 25720 1 185 . 1 1 16 16 THR N N 15 116.248 0.03 . . . . . A 555 THR N . 25720 1 186 . 1 1 17 17 LYS H H 1 7.929 0.001 . . . . . A 556 LYS H . 25720 1 187 . 1 1 17 17 LYS HA H 1 3.946 0.001 . . . . . A 556 LYS HA . 25720 1 188 . 1 1 17 17 LYS HB2 H 1 1.685 0.001 . . . . . A 556 LYS HB2 . 25720 1 189 . 1 1 17 17 LYS HB3 H 1 1.685 0.001 . . . . . A 556 LYS HB3 . 25720 1 190 . 1 1 17 17 LYS HG2 H 1 1.710 0.001 . . . . . A 556 LYS HG2 . 25720 1 191 . 1 1 17 17 LYS HG3 H 1 1.521 0.001 . . . . . A 556 LYS HG3 . 25720 1 192 . 1 1 17 17 LYS HD2 H 1 1.890 0.001 . . . . . A 556 LYS HD2 . 25720 1 193 . 1 1 17 17 LYS HD3 H 1 1.621 0.001 . . . . . A 556 LYS HD3 . 25720 1 194 . 1 1 17 17 LYS HE2 H 1 3.025 0.001 . . . . . A 556 LYS HE2 . 25720 1 195 . 1 1 17 17 LYS HE3 H 1 3.025 0.001 . . . . . A 556 LYS HE3 . 25720 1 196 . 1 1 17 17 LYS C C 13 180.830 0.01 . . . . . A 556 LYS C . 25720 1 197 . 1 1 17 17 LYS CA C 13 59.729 0.01 . . . . . A 556 LYS CA . 25720 1 198 . 1 1 17 17 LYS CB C 13 32.545 0.01 . . . . . A 556 LYS CB . 25720 1 199 . 1 1 17 17 LYS CG C 13 26.029 0.01 . . . . . A 556 LYS CG . 25720 1 200 . 1 1 17 17 LYS CD C 13 29.250 0.01 . . . . . A 556 LYS CD . 25720 1 201 . 1 1 17 17 LYS CE C 13 42.362 0.01 . . . . . A 556 LYS CE . 25720 1 202 . 1 1 17 17 LYS N N 15 120.916 0.03 . . . . . A 556 LYS N . 25720 1 203 . 1 1 18 18 LEU H H 1 8.593 0.001 . . . . . A 557 LEU H . 25720 1 204 . 1 1 18 18 LEU HA H 1 4.023 0.001 . . . . . A 557 LEU HA . 25720 1 205 . 1 1 18 18 LEU HB2 H 1 2.139 0.001 . . . . . A 557 LEU HB2 . 25720 1 206 . 1 1 18 18 LEU HB3 H 1 1.370 0.001 . . . . . A 557 LEU HB3 . 25720 1 207 . 1 1 18 18 LEU HG H 1 1.795 0.001 . . . . . A 557 LEU HG . 25720 1 208 . 1 1 18 18 LEU HD11 H 1 1.033 0.001 . . . . . A 557 LEU HD11 . 25720 1 209 . 1 1 18 18 LEU HD12 H 1 1.033 0.001 . . . . . A 557 LEU HD12 . 25720 1 210 . 1 1 18 18 LEU HD13 H 1 1.033 0.001 . . . . . A 557 LEU HD13 . 25720 1 211 . 1 1 18 18 LEU HD21 H 1 0.962 0.001 . . . . . A 557 LEU HD21 . 25720 1 212 . 1 1 18 18 LEU HD22 H 1 0.962 0.001 . . . . . A 557 LEU HD22 . 25720 1 213 . 1 1 18 18 LEU HD23 H 1 0.962 0.001 . . . . . A 557 LEU HD23 . 25720 1 214 . 1 1 18 18 LEU C C 13 179.910 0.01 . . . . . A 557 LEU C . 25720 1 215 . 1 1 18 18 LEU CA C 13 58.239 0.01 . . . . . A 557 LEU CA . 25720 1 216 . 1 1 18 18 LEU CB C 13 43.218 0.01 . . . . . A 557 LEU CB . 25720 1 217 . 1 1 18 18 LEU CG C 13 27.728 0.01 . . . . . A 557 LEU CG . 25720 1 218 . 1 1 18 18 LEU CD1 C 13 23.146 0.01 . . . . . A 557 LEU CD1 . 25720 1 219 . 1 1 18 18 LEU CD2 C 13 28.617 0.01 . . . . . A 557 LEU CD2 . 25720 1 220 . 1 1 18 18 LEU N N 15 120.367 0.03 . . . . . A 557 LEU N . 25720 1 221 . 1 1 19 19 CYS H H 1 8.233 0.001 . . . . . A 558 CYS H . 25720 1 222 . 1 1 19 19 CYS HA H 1 4.895 0.001 . . . . . A 558 CYS HA . 25720 1 223 . 1 1 19 19 CYS HB2 H 1 2.879 0.001 . . . . . A 558 CYS HB2 . 25720 1 224 . 1 1 19 19 CYS HB3 H 1 2.750 0.001 . . . . . A 558 CYS HB3 . 25720 1 225 . 1 1 19 19 CYS HG H 1 2.016 0.001 . . . . . A 558 CYS HG . 25720 1 226 . 1 1 19 19 CYS C C 13 175.287 0.01 . . . . . A 558 CYS C . 25720 1 227 . 1 1 19 19 CYS CA C 13 62.182 0.01 . . . . . A 558 CYS CA . 25720 1 228 . 1 1 19 19 CYS CB C 13 26.997 0.01 . . . . . A 558 CYS CB . 25720 1 229 . 1 1 19 19 CYS N N 15 118.220 0.03 . . . . . A 558 CYS N . 25720 1 230 . 1 1 20 20 GLY H H 1 7.522 0.001 . . . . . A 559 GLY H . 25720 1 231 . 1 1 20 20 GLY HA2 H 1 4.103 0.001 . . . . . A 559 GLY HA2 . 25720 1 232 . 1 1 20 20 GLY HA3 H 1 3.867 0.001 . . . . . A 559 GLY HA3 . 25720 1 233 . 1 1 20 20 GLY C C 13 173.106 0.01 . . . . . A 559 GLY C . 25720 1 234 . 1 1 20 20 GLY CA C 13 46.037 0.01 . . . . . A 559 GLY CA . 25720 1 235 . 1 1 20 20 GLY N N 15 105.334 0.03 . . . . . A 559 GLY N . 25720 1 236 . 1 1 21 21 VAL H H 1 7.218 0.001 . . . . . A 560 VAL H . 25720 1 237 . 1 1 21 21 VAL HA H 1 3.763 0.001 . . . . . A 560 VAL HA . 25720 1 238 . 1 1 21 21 VAL HB H 1 1.532 0.001 . . . . . A 560 VAL HB . 25720 1 239 . 1 1 21 21 VAL HG11 H 1 0.683 0.001 . . . . . A 560 VAL HG11 . 25720 1 240 . 1 1 21 21 VAL HG12 H 1 0.683 0.001 . . . . . A 560 VAL HG12 . 25720 1 241 . 1 1 21 21 VAL HG13 H 1 0.683 0.001 . . . . . A 560 VAL HG13 . 25720 1 242 . 1 1 21 21 VAL HG21 H 1 -0.100 0.001 . . . . . A 560 VAL HG21 . 25720 1 243 . 1 1 21 21 VAL HG22 H 1 -0.100 0.001 . . . . . A 560 VAL HG22 . 25720 1 244 . 1 1 21 21 VAL HG23 H 1 -0.100 0.001 . . . . . A 560 VAL HG23 . 25720 1 245 . 1 1 21 21 VAL C C 13 173.393 0.01 . . . . . A 560 VAL C . 25720 1 246 . 1 1 21 21 VAL CA C 13 63.239 0.01 . . . . . A 560 VAL CA . 25720 1 247 . 1 1 21 21 VAL CB C 13 35.199 0.01 . . . . . A 560 VAL CB . 25720 1 248 . 1 1 21 21 VAL CG1 C 13 23.224 0.01 . . . . . A 560 VAL CG1 . 25720 1 249 . 1 1 21 21 VAL CG2 C 13 21.324 0.01 . . . . . A 560 VAL CG2 . 25720 1 250 . 1 1 21 21 VAL N N 15 117.434 0.03 . . . . . A 560 VAL N . 25720 1 251 . 1 1 22 22 PHE H H 1 8.333 0.001 . . . . . A 561 PHE H . 25720 1 252 . 1 1 22 22 PHE HA H 1 4.939 0.001 . . . . . A 561 PHE HA . 25720 1 253 . 1 1 22 22 PHE HB2 H 1 2.860 0.001 . . . . . A 561 PHE HB2 . 25720 1 254 . 1 1 22 22 PHE HB3 H 1 2.418 0.001 . . . . . A 561 PHE HB3 . 25720 1 255 . 1 1 22 22 PHE HD1 H 1 7.397 0.001 . . . . . A 561 PHE HD1 . 25720 1 256 . 1 1 22 22 PHE HD2 H 1 7.397 0.001 . . . . . A 561 PHE HD2 . 25720 1 257 . 1 1 22 22 PHE HE1 H 1 7.157 0.001 . . . . . A 561 PHE HE1 . 25720 1 258 . 1 1 22 22 PHE HE2 H 1 7.157 0.001 . . . . . A 561 PHE HE2 . 25720 1 259 . 1 1 22 22 PHE HZ H 1 7.154 0.001 . . . . . A 561 PHE HZ . 25720 1 260 . 1 1 22 22 PHE C C 13 172.117 0.01 . . . . . A 561 PHE C . 25720 1 261 . 1 1 22 22 PHE CA C 13 54.990 0.01 . . . . . A 561 PHE CA . 25720 1 262 . 1 1 22 22 PHE CB C 13 41.239 0.01 . . . . . A 561 PHE CB . 25720 1 263 . 1 1 22 22 PHE CD1 C 13 133.469 0.01 . . . . . A 561 PHE CD1 . 25720 1 264 . 1 1 22 22 PHE CD2 C 13 133.469 0.01 . . . . . A 561 PHE CD2 . 25720 1 265 . 1 1 22 22 PHE CE1 C 13 130.102 0.01 . . . . . A 561 PHE CE1 . 25720 1 266 . 1 1 22 22 PHE CE2 C 13 130.102 0.01 . . . . . A 561 PHE CE2 . 25720 1 267 . 1 1 22 22 PHE CZ C 13 129.758 0.01 . . . . . A 561 PHE CZ . 25720 1 268 . 1 1 22 22 PHE N N 15 116.627 0.03 . . . . . A 561 PHE N . 25720 1 269 . 1 1 23 23 PRO HB2 H 1 1.834 0.001 . . . . . A 562 PRO HB2 . 25720 1 270 . 1 1 23 23 PRO HB3 H 1 2.653 0.001 . . . . . A 562 PRO HB3 . 25720 1 271 . 1 1 23 23 PRO HG2 H 1 2.277 0.001 . . . . . A 562 PRO HG2 . 25720 1 272 . 1 1 23 23 PRO HD2 H 1 4.069 0.001 . . . . . A 562 PRO HD2 . 25720 1 273 . 1 1 23 23 PRO HD3 H 1 3.666 0.001 . . . . . A 562 PRO HD3 . 25720 1 274 . 1 1 23 23 PRO CB C 13 32.412 0.01 . . . . . A 562 PRO CB . 25720 1 275 . 1 1 23 23 PRO CG C 13 28.112 0.01 . . . . . A 562 PRO CG . 25720 1 276 . 1 1 23 23 PRO CD C 13 50.549 0.01 . . . . . A 562 PRO CD . 25720 1 277 . 1 1 24 24 PRO HA H 1 4.426 0.001 . . . . . A 563 PRO HA . 25720 1 278 . 1 1 24 24 PRO HB2 H 1 2.167 0.001 . . . . . A 563 PRO HB2 . 25720 1 279 . 1 1 24 24 PRO HB3 H 1 2.694 0.001 . . . . . A 563 PRO HB3 . 25720 1 280 . 1 1 24 24 PRO HG2 H 1 2.339 0.001 . . . . . A 563 PRO HG2 . 25720 1 281 . 1 1 24 24 PRO HG3 H 1 2.037 0.001 . . . . . A 563 PRO HG3 . 25720 1 282 . 1 1 24 24 PRO HD2 H 1 4.234 0.001 . . . . . A 563 PRO HD2 . 25720 1 283 . 1 1 24 24 PRO HD3 H 1 4.010 0.001 . . . . . A 563 PRO HD3 . 25720 1 284 . 1 1 24 24 PRO C C 13 178.231 0.01 . . . . . A 563 PRO C . 25720 1 285 . 1 1 24 24 PRO CA C 13 66.033 0.01 . . . . . A 563 PRO CA . 25720 1 286 . 1 1 24 24 PRO CB C 13 32.646 0.01 . . . . . A 563 PRO CB . 25720 1 287 . 1 1 24 24 PRO CG C 13 27.847 0.01 . . . . . A 563 PRO CG . 25720 1 288 . 1 1 24 24 PRO CD C 13 51.279 0.01 . . . . . A 563 PRO CD . 25720 1 289 . 1 1 25 25 HIS H H 1 8.599 0.001 . . . . . A 564 HIS H . 25720 1 290 . 1 1 25 25 HIS HA H 1 4.574 0.001 . . . . . A 564 HIS HA . 25720 1 291 . 1 1 25 25 HIS HB2 H 1 3.310 0.001 . . . . . A 564 HIS HB2 . 25720 1 292 . 1 1 25 25 HIS HB3 H 1 3.228 0.001 . . . . . A 564 HIS HB3 . 25720 1 293 . 1 1 25 25 HIS HD2 H 1 7.189 0.001 . . . . . A 564 HIS HD2 . 25720 1 294 . 1 1 25 25 HIS HE1 H 1 8.077 0.001 . . . . . A 564 HIS HE1 . 25720 1 295 . 1 1 25 25 HIS C C 13 178.456 0.01 . . . . . A 564 HIS C . 25720 1 296 . 1 1 25 25 HIS CA C 13 59.283 0.01 . . . . . A 564 HIS CA . 25720 1 297 . 1 1 25 25 HIS CB C 13 28.889 0.01 . . . . . A 564 HIS CB . 25720 1 298 . 1 1 25 25 HIS CD2 C 13 119.384 0.01 . . . . . A 564 HIS CD2 . 25720 1 299 . 1 1 25 25 HIS CE1 C 13 138.706 0.01 . . . . . A 564 HIS CE1 . 25720 1 300 . 1 1 25 25 HIS N N 15 113.418 0.03 . . . . . A 564 HIS N . 25720 1 301 . 1 1 26 26 LEU H H 1 6.986 0.001 . . . . . A 565 LEU H . 25720 1 302 . 1 1 26 26 LEU HA H 1 4.069 0.001 . . . . . A 565 LEU HA . 25720 1 303 . 1 1 26 26 LEU HB2 H 1 1.698 0.001 . . . . . A 565 LEU HB2 . 25720 1 304 . 1 1 26 26 LEU HB3 H 1 1.408 0.001 . . . . . A 565 LEU HB3 . 25720 1 305 . 1 1 26 26 LEU HG H 1 1.165 0.001 . . . . . A 565 LEU HG . 25720 1 306 . 1 1 26 26 LEU HD11 H 1 0.978 0.001 . . . . . A 565 LEU HD11 . 25720 1 307 . 1 1 26 26 LEU HD12 H 1 0.978 0.001 . . . . . A 565 LEU HD12 . 25720 1 308 . 1 1 26 26 LEU HD13 H 1 0.978 0.001 . . . . . A 565 LEU HD13 . 25720 1 309 . 1 1 26 26 LEU HD21 H 1 0.931 0.001 . . . . . A 565 LEU HD21 . 25720 1 310 . 1 1 26 26 LEU HD22 H 1 0.931 0.001 . . . . . A 565 LEU HD22 . 25720 1 311 . 1 1 26 26 LEU HD23 H 1 0.931 0.001 . . . . . A 565 LEU HD23 . 25720 1 312 . 1 1 26 26 LEU C C 13 177.647 0.01 . . . . . A 565 LEU C . 25720 1 313 . 1 1 26 26 LEU CA C 13 56.798 0.01 . . . . . A 565 LEU CA . 25720 1 314 . 1 1 26 26 LEU CB C 13 42.437 0.01 . . . . . A 565 LEU CB . 25720 1 315 . 1 1 26 26 LEU CG C 13 26.969 0.01 . . . . . A 565 LEU CG . 25720 1 316 . 1 1 26 26 LEU CD1 C 13 25.048 0.01 . . . . . A 565 LEU CD1 . 25720 1 317 . 1 1 26 26 LEU CD2 C 13 23.511 0.01 . . . . . A 565 LEU CD2 . 25720 1 318 . 1 1 26 26 LEU N N 15 121.397 0.03 . . . . . A 565 LEU N . 25720 1 319 . 1 1 27 27 VAL H H 1 7.378 0.001 . . . . . A 566 VAL H . 25720 1 320 . 1 1 27 27 VAL HA H 1 3.202 0.001 . . . . . A 566 VAL HA . 25720 1 321 . 1 1 27 27 VAL HB H 1 2.173 0.001 . . . . . A 566 VAL HB . 25720 1 322 . 1 1 27 27 VAL HG11 H 1 0.992 0.001 . . . . . A 566 VAL HG11 . 25720 1 323 . 1 1 27 27 VAL HG12 H 1 0.992 0.001 . . . . . A 566 VAL HG12 . 25720 1 324 . 1 1 27 27 VAL HG13 H 1 0.992 0.001 . . . . . A 566 VAL HG13 . 25720 1 325 . 1 1 27 27 VAL HG21 H 1 0.869 0.001 . . . . . A 566 VAL HG21 . 25720 1 326 . 1 1 27 27 VAL HG22 H 1 0.869 0.001 . . . . . A 566 VAL HG22 . 25720 1 327 . 1 1 27 27 VAL HG23 H 1 0.869 0.001 . . . . . A 566 VAL HG23 . 25720 1 328 . 1 1 27 27 VAL C C 13 178.100 0.01 . . . . . A 566 VAL C . 25720 1 329 . 1 1 27 27 VAL CA C 13 66.837 0.01 . . . . . A 566 VAL CA . 25720 1 330 . 1 1 27 27 VAL CB C 13 31.902 0.01 . . . . . A 566 VAL CB . 25720 1 331 . 1 1 27 27 VAL CG1 C 13 24.180 0.01 . . . . . A 566 VAL CG1 . 25720 1 332 . 1 1 27 27 VAL CG2 C 13 23.440 0.01 . . . . . A 566 VAL CG2 . 25720 1 333 . 1 1 27 27 VAL N N 15 118.805 0.03 . . . . . A 566 VAL N . 25720 1 334 . 1 1 28 28 GLU H H 1 8.787 0.001 . . . . . A 567 GLU H . 25720 1 335 . 1 1 28 28 GLU HA H 1 3.950 0.001 . . . . . A 567 GLU HA . 25720 1 336 . 1 1 28 28 GLU HB2 H 1 2.244 0.001 . . . . . A 567 GLU HB2 . 25720 1 337 . 1 1 28 28 GLU HB3 H 1 2.078 0.001 . . . . . A 567 GLU HB3 . 25720 1 338 . 1 1 28 28 GLU HG2 H 1 2.496 0.001 . . . . . A 567 GLU HG2 . 25720 1 339 . 1 1 28 28 GLU HG3 H 1 2.331 0.001 . . . . . A 567 GLU HG3 . 25720 1 340 . 1 1 28 28 GLU C C 13 178.367 0.01 . . . . . A 567 GLU C . 25720 1 341 . 1 1 28 28 GLU CA C 13 59.647 0.01 . . . . . A 567 GLU CA . 25720 1 342 . 1 1 28 28 GLU CB C 13 29.836 0.01 . . . . . A 567 GLU CB . 25720 1 343 . 1 1 28 28 GLU CG C 13 36.702 0.01 . . . . . A 567 GLU CG . 25720 1 344 . 1 1 28 28 GLU N N 15 117.532 0.03 . . . . . A 567 GLU N . 25720 1 345 . 1 1 29 29 ALA H H 1 7.327 0.001 . . . . . A 568 ALA H . 25720 1 346 . 1 1 29 29 ALA HA H 1 3.977 0.001 . . . . . A 568 ALA HA . 25720 1 347 . 1 1 29 29 ALA HB1 H 1 1.340 0.001 . . . . . A 568 ALA HB1 . 25720 1 348 . 1 1 29 29 ALA HB2 H 1 1.340 0.001 . . . . . A 568 ALA HB2 . 25720 1 349 . 1 1 29 29 ALA HB3 H 1 1.340 0.001 . . . . . A 568 ALA HB3 . 25720 1 350 . 1 1 29 29 ALA C C 13 180.553 0.01 . . . . . A 568 ALA C . 25720 1 351 . 1 1 29 29 ALA CA C 13 55.183 0.01 . . . . . A 568 ALA CA . 25720 1 352 . 1 1 29 29 ALA CB C 13 17.972 0.01 . . . . . A 568 ALA CB . 25720 1 353 . 1 1 29 29 ALA N N 15 119.136 0.03 . . . . . A 568 ALA N . 25720 1 354 . 1 1 30 30 VAL H H 1 7.694 0.001 . . . . . A 569 VAL H . 25720 1 355 . 1 1 30 30 VAL HA H 1 3.611 0.001 . . . . . A 569 VAL HA . 25720 1 356 . 1 1 30 30 VAL HB H 1 1.843 0.001 . . . . . A 569 VAL HB . 25720 1 357 . 1 1 30 30 VAL HG11 H 1 0.950 0.001 . . . . . A 569 VAL HG11 . 25720 1 358 . 1 1 30 30 VAL HG12 H 1 0.950 0.001 . . . . . A 569 VAL HG12 . 25720 1 359 . 1 1 30 30 VAL HG13 H 1 0.950 0.001 . . . . . A 569 VAL HG13 . 25720 1 360 . 1 1 30 30 VAL HG21 H 1 0.762 0.001 . . . . . A 569 VAL HG21 . 25720 1 361 . 1 1 30 30 VAL HG22 H 1 0.762 0.001 . . . . . A 569 VAL HG22 . 25720 1 362 . 1 1 30 30 VAL HG23 H 1 0.762 0.001 . . . . . A 569 VAL HG23 . 25720 1 363 . 1 1 30 30 VAL C C 13 177.821 0.01 . . . . . A 569 VAL C . 25720 1 364 . 1 1 30 30 VAL CA C 13 66.573 0.01 . . . . . A 569 VAL CA . 25720 1 365 . 1 1 30 30 VAL CB C 13 31.344 0.01 . . . . . A 569 VAL CB . 25720 1 366 . 1 1 30 30 VAL CG1 C 13 22.286 0.01 . . . . . A 569 VAL CG1 . 25720 1 367 . 1 1 30 30 VAL CG2 C 13 24.238 0.01 . . . . . A 569 VAL CG2 . 25720 1 368 . 1 1 30 30 VAL N N 15 117.417 0.03 . . . . . A 569 VAL N . 25720 1 369 . 1 1 31 31 MET H H 1 8.689 0.001 . . . . . A 570 MET H . 25720 1 370 . 1 1 31 31 MET HA H 1 4.023 0.001 . . . . . A 570 MET HA . 25720 1 371 . 1 1 31 31 MET HB2 H 1 2.242 0.001 . . . . . A 570 MET HB2 . 25720 1 372 . 1 1 31 31 MET HB3 H 1 1.989 0.001 . . . . . A 570 MET HB3 . 25720 1 373 . 1 1 31 31 MET HG2 H 1 2.954 0.001 . . . . . A 570 MET HG2 . 25720 1 374 . 1 1 31 31 MET HG3 H 1 2.529 0.001 . . . . . A 570 MET HG3 . 25720 1 375 . 1 1 31 31 MET HE1 H 1 2.191 0.001 . . . . . A 570 MET HE1 . 25720 1 376 . 1 1 31 31 MET HE2 H 1 2.191 0.001 . . . . . A 570 MET HE2 . 25720 1 377 . 1 1 31 31 MET HE3 H 1 2.191 0.001 . . . . . A 570 MET HE3 . 25720 1 378 . 1 1 31 31 MET C C 13 178.707 0.01 . . . . . A 570 MET C . 25720 1 379 . 1 1 31 31 MET CA C 13 60.668 0.01 . . . . . A 570 MET CA . 25720 1 380 . 1 1 31 31 MET CB C 13 32.661 0.01 . . . . . A 570 MET CB . 25720 1 381 . 1 1 31 31 MET CG C 13 34.367 0.01 . . . . . A 570 MET CG . 25720 1 382 . 1 1 31 31 MET CE C 13 16.757 0.01 . . . . . A 570 MET CE . 25720 1 383 . 1 1 31 31 MET N N 15 119.233 0.03 . . . . . A 570 MET N . 25720 1 384 . 1 1 32 32 ARG H H 1 7.736 0.001 . . . . . A 571 ARG H . 25720 1 385 . 1 1 32 32 ARG HA H 1 4.074 0.001 . . . . . A 571 ARG HA . 25720 1 386 . 1 1 32 32 ARG HB2 H 1 1.909 0.001 . . . . . A 571 ARG HB2 . 25720 1 387 . 1 1 32 32 ARG HB3 H 1 1.829 0.001 . . . . . A 571 ARG HB3 . 25720 1 388 . 1 1 32 32 ARG HG2 H 1 1.800 0.001 . . . . . A 571 ARG HG2 . 25720 1 389 . 1 1 32 32 ARG HG3 H 1 1.639 0.001 . . . . . A 571 ARG HG3 . 25720 1 390 . 1 1 32 32 ARG HD2 H 1 3.206 0.001 . . . . . A 571 ARG HD2 . 25720 1 391 . 1 1 32 32 ARG HD3 H 1 3.206 0.001 . . . . . A 571 ARG HD3 . 25720 1 392 . 1 1 32 32 ARG HE H 1 7.428 0.001 . . . . . A 571 ARG HE . 25720 1 393 . 1 1 32 32 ARG C C 13 177.978 0.01 . . . . . A 571 ARG C . 25720 1 394 . 1 1 32 32 ARG CA C 13 58.627 0.01 . . . . . A 571 ARG CA . 25720 1 395 . 1 1 32 32 ARG CB C 13 30.350 0.01 . . . . . A 571 ARG CB . 25720 1 396 . 1 1 32 32 ARG CG C 13 27.940 0.01 . . . . . A 571 ARG CG . 25720 1 397 . 1 1 32 32 ARG CD C 13 43.616 0.01 . . . . . A 571 ARG CD . 25720 1 398 . 1 1 32 32 ARG CZ C 13 159.628 0.01 . . . . . A 571 ARG CZ . 25720 1 399 . 1 1 32 32 ARG N N 15 116.087 0.03 . . . . . A 571 ARG N . 25720 1 400 . 1 1 32 32 ARG NE N 15 84.854 0.03 . . . . . A 571 ARG NE . 25720 1 401 . 1 1 33 33 ARG H H 1 7.257 0.001 . . . . . A 572 ARG H . 25720 1 402 . 1 1 33 33 ARG HA H 1 3.957 0.001 . . . . . A 572 ARG HA . 25720 1 403 . 1 1 33 33 ARG HB2 H 1 1.741 0.001 . . . . . A 572 ARG HB2 . 25720 1 404 . 1 1 33 33 ARG HB3 H 1 1.582 0.001 . . . . . A 572 ARG HB3 . 25720 1 405 . 1 1 33 33 ARG HG2 H 1 1.440 0.001 . . . . . A 572 ARG HG2 . 25720 1 406 . 1 1 33 33 ARG HG3 H 1 1.190 0.001 . . . . . A 572 ARG HG3 . 25720 1 407 . 1 1 33 33 ARG HD2 H 1 3.055 0.001 . . . . . A 572 ARG HD2 . 25720 1 408 . 1 1 33 33 ARG HD3 H 1 3.055 0.001 . . . . . A 572 ARG HD3 . 25720 1 409 . 1 1 33 33 ARG HE H 1 7.257 0.001 . . . . . A 572 ARG HE . 25720 1 410 . 1 1 33 33 ARG C C 13 175.737 0.01 . . . . . A 572 ARG C . 25720 1 411 . 1 1 33 33 ARG CA C 13 57.700 0.01 . . . . . A 572 ARG CA . 25720 1 412 . 1 1 33 33 ARG CB C 13 30.837 0.01 . . . . . A 572 ARG CB . 25720 1 413 . 1 1 33 33 ARG CG C 13 27.635 0.01 . . . . . A 572 ARG CG . 25720 1 414 . 1 1 33 33 ARG CD C 13 43.516 0.01 . . . . . A 572 ARG CD . 25720 1 415 . 1 1 33 33 ARG CZ C 13 159.569 0.01 . . . . . A 572 ARG CZ . 25720 1 416 . 1 1 33 33 ARG N N 15 118.791 0.03 . . . . . A 572 ARG N . 25720 1 417 . 1 1 33 33 ARG NE N 15 84.685 0.03 . . . . . A 572 ARG NE . 25720 1 418 . 1 1 34 34 PHE H H 1 7.547 0.001 . . . . . A 573 PHE H . 25720 1 419 . 1 1 34 34 PHE HA H 1 5.109 0.001 . . . . . A 573 PHE HA . 25720 1 420 . 1 1 34 34 PHE HB2 H 1 3.156 0.001 . . . . . A 573 PHE HB2 . 25720 1 421 . 1 1 34 34 PHE HB3 H 1 2.857 0.001 . . . . . A 573 PHE HB3 . 25720 1 422 . 1 1 34 34 PHE HD1 H 1 7.393 0.001 . . . . . A 573 PHE HD1 . 25720 1 423 . 1 1 34 34 PHE HD2 H 1 7.393 0.001 . . . . . A 573 PHE HD2 . 25720 1 424 . 1 1 34 34 PHE HE1 H 1 7.323 0.001 . . . . . A 573 PHE HE1 . 25720 1 425 . 1 1 34 34 PHE HE2 H 1 7.323 0.001 . . . . . A 573 PHE HE2 . 25720 1 426 . 1 1 34 34 PHE HZ H 1 7.276 0.001 . . . . . A 573 PHE HZ . 25720 1 427 . 1 1 34 34 PHE C C 13 174.244 0.01 . . . . . A 573 PHE C . 25720 1 428 . 1 1 34 34 PHE CA C 13 55.178 0.01 . . . . . A 573 PHE CA . 25720 1 429 . 1 1 34 34 PHE CB C 13 39.703 0.01 . . . . . A 573 PHE CB . 25720 1 430 . 1 1 34 34 PHE CD1 C 13 132.375 0.01 . . . . . A 573 PHE CD1 . 25720 1 431 . 1 1 34 34 PHE CD2 C 13 132.375 0.01 . . . . . A 573 PHE CD2 . 25720 1 432 . 1 1 34 34 PHE CE1 C 13 130.780 0.01 . . . . . A 573 PHE CE1 . 25720 1 433 . 1 1 34 34 PHE CE2 C 13 130.780 0.01 . . . . . A 573 PHE CE2 . 25720 1 434 . 1 1 34 34 PHE CZ C 13 129.808 0.01 . . . . . A 573 PHE CZ . 25720 1 435 . 1 1 34 34 PHE N N 15 116.580 0.03 . . . . . A 573 PHE N . 25720 1 436 . 1 1 35 35 PRO HA H 1 4.634 0.001 . . . . . A 574 PRO HA . 25720 1 437 . 1 1 35 35 PRO HB2 H 1 2.044 0.001 . . . . . A 574 PRO HB2 . 25720 1 438 . 1 1 35 35 PRO HB3 H 1 2.342 0.001 . . . . . A 574 PRO HB3 . 25720 1 439 . 1 1 35 35 PRO HG2 H 1 2.059 0.001 . . . . . A 574 PRO HG2 . 25720 1 440 . 1 1 35 35 PRO HG3 H 1 1.968 0.001 . . . . . A 574 PRO HG3 . 25720 1 441 . 1 1 35 35 PRO HD2 H 1 3.651 0.001 . . . . . A 574 PRO HD2 . 25720 1 442 . 1 1 35 35 PRO HD3 H 1 3.389 0.001 . . . . . A 574 PRO HD3 . 25720 1 443 . 1 1 35 35 PRO C C 13 177.428 0.01 . . . . . A 574 PRO C . 25720 1 444 . 1 1 35 35 PRO CA C 13 64.843 0.01 . . . . . A 574 PRO CA . 25720 1 445 . 1 1 35 35 PRO CB C 13 32.189 0.01 . . . . . A 574 PRO CB . 25720 1 446 . 1 1 35 35 PRO CG C 13 27.365 0.01 . . . . . A 574 PRO CG . 25720 1 447 . 1 1 35 35 PRO CD C 13 50.395 0.01 . . . . . A 574 PRO CD . 25720 1 448 . 1 1 36 36 GLN H H 1 8.854 0.001 . . . . . A 575 GLN H . 25720 1 449 . 1 1 36 36 GLN HA H 1 4.483 0.001 . . . . . A 575 GLN HA . 25720 1 450 . 1 1 36 36 GLN HB2 H 1 2.340 0.001 . . . . . A 575 GLN HB2 . 25720 1 451 . 1 1 36 36 GLN HB3 H 1 2.070 0.001 . . . . . A 575 GLN HB3 . 25720 1 452 . 1 1 36 36 GLN HG2 H 1 2.485 0.001 . . . . . A 575 GLN HG2 . 25720 1 453 . 1 1 36 36 GLN HG3 H 1 2.359 0.001 . . . . . A 575 GLN HG3 . 25720 1 454 . 1 1 36 36 GLN HE21 H 1 6.946 0.001 . . . . . A 575 GLN HE21 . 25720 1 455 . 1 1 36 36 GLN HE22 H 1 7.643 0.001 . . . . . A 575 GLN HE22 . 25720 1 456 . 1 1 36 36 GLN C C 13 175.741 0.01 . . . . . A 575 GLN C . 25720 1 457 . 1 1 36 36 GLN CA C 13 55.387 0.01 . . . . . A 575 GLN CA . 25720 1 458 . 1 1 36 36 GLN CB C 13 28.737 0.01 . . . . . A 575 GLN CB . 25720 1 459 . 1 1 36 36 GLN CG C 13 34.330 0.01 . . . . . A 575 GLN CG . 25720 1 460 . 1 1 36 36 GLN CD C 13 180.681 0.01 . . . . . A 575 GLN CD . 25720 1 461 . 1 1 36 36 GLN N N 15 115.442 0.03 . . . . . A 575 GLN N . 25720 1 462 . 1 1 36 36 GLN NE2 N 15 111.905 0.03 . . . . . A 575 GLN NE2 . 25720 1 463 . 1 1 37 37 LEU H H 1 7.534 0.001 . . . . . A 576 LEU H . 25720 1 464 . 1 1 37 37 LEU HA H 1 4.460 0.001 . . . . . A 576 LEU HA . 25720 1 465 . 1 1 37 37 LEU HB2 H 1 1.852 0.001 . . . . . A 576 LEU HB2 . 25720 1 466 . 1 1 37 37 LEU HB3 H 1 1.695 0.001 . . . . . A 576 LEU HB3 . 25720 1 467 . 1 1 37 37 LEU HG H 1 1.539 0.001 . . . . . A 576 LEU HG . 25720 1 468 . 1 1 37 37 LEU HD11 H 1 0.930 0.001 . . . . . A 576 LEU HD11 . 25720 1 469 . 1 1 37 37 LEU HD12 H 1 0.930 0.001 . . . . . A 576 LEU HD12 . 25720 1 470 . 1 1 37 37 LEU HD13 H 1 0.930 0.001 . . . . . A 576 LEU HD13 . 25720 1 471 . 1 1 37 37 LEU HD21 H 1 0.746 0.001 . . . . . A 576 LEU HD21 . 25720 1 472 . 1 1 37 37 LEU HD22 H 1 0.746 0.001 . . . . . A 576 LEU HD22 . 25720 1 473 . 1 1 37 37 LEU HD23 H 1 0.746 0.001 . . . . . A 576 LEU HD23 . 25720 1 474 . 1 1 37 37 LEU C C 13 175.287 0.01 . . . . . A 576 LEU C . 25720 1 475 . 1 1 37 37 LEU CA C 13 55.180 0.01 . . . . . A 576 LEU CA . 25720 1 476 . 1 1 37 37 LEU CB C 13 43.533 0.01 . . . . . A 576 LEU CB . 25720 1 477 . 1 1 37 37 LEU CG C 13 27.363 0.01 . . . . . A 576 LEU CG . 25720 1 478 . 1 1 37 37 LEU CD1 C 13 23.511 0.01 . . . . . A 576 LEU CD1 . 25720 1 479 . 1 1 37 37 LEU CD2 C 13 24.424 0.01 . . . . . A 576 LEU CD2 . 25720 1 480 . 1 1 37 37 LEU N N 15 122.503 0.03 . . . . . A 576 LEU N . 25720 1 481 . 1 1 38 38 LEU H H 1 8.642 0.001 . . . . . A 577 LEU H . 25720 1 482 . 1 1 38 38 LEU HA H 1 4.609 0.001 . . . . . A 577 LEU HA . 25720 1 483 . 1 1 38 38 LEU HB2 H 1 1.755 0.001 . . . . . A 577 LEU HB2 . 25720 1 484 . 1 1 38 38 LEU HB3 H 1 1.598 0.001 . . . . . A 577 LEU HB3 . 25720 1 485 . 1 1 38 38 LEU HG H 1 1.605 0.001 . . . . . A 577 LEU HG . 25720 1 486 . 1 1 38 38 LEU HD11 H 1 0.955 0.001 . . . . . A 577 LEU HD11 . 25720 1 487 . 1 1 38 38 LEU HD12 H 1 0.955 0.001 . . . . . A 577 LEU HD12 . 25720 1 488 . 1 1 38 38 LEU HD13 H 1 0.955 0.001 . . . . . A 577 LEU HD13 . 25720 1 489 . 1 1 38 38 LEU HD21 H 1 0.857 0.001 . . . . . A 577 LEU HD21 . 25720 1 490 . 1 1 38 38 LEU HD22 H 1 0.857 0.001 . . . . . A 577 LEU HD22 . 25720 1 491 . 1 1 38 38 LEU HD23 H 1 0.857 0.001 . . . . . A 577 LEU HD23 . 25720 1 492 . 1 1 38 38 LEU C C 13 175.420 0.01 . . . . . A 577 LEU C . 25720 1 493 . 1 1 38 38 LEU CA C 13 53.569 0.01 . . . . . A 577 LEU CA . 25720 1 494 . 1 1 38 38 LEU CB C 13 43.988 0.01 . . . . . A 577 LEU CB . 25720 1 495 . 1 1 38 38 LEU CG C 13 26.995 0.01 . . . . . A 577 LEU CG . 25720 1 496 . 1 1 38 38 LEU CD1 C 13 25.596 0.01 . . . . . A 577 LEU CD1 . 25720 1 497 . 1 1 38 38 LEU CD2 C 13 23.739 0.01 . . . . . A 577 LEU CD2 . 25720 1 498 . 1 1 38 38 LEU N N 15 123.692 0.03 . . . . . A 577 LEU N . 25720 1 499 . 1 1 39 39 ASP H H 1 6.857 0.001 . . . . . A 578 ASP H . 25720 1 500 . 1 1 39 39 ASP HA H 1 5.008 0.001 . . . . . A 578 ASP HA . 25720 1 501 . 1 1 39 39 ASP HB2 H 1 2.801 0.001 . . . . . A 578 ASP HB2 . 25720 1 502 . 1 1 39 39 ASP HB3 H 1 2.801 0.001 . . . . . A 578 ASP HB3 . 25720 1 503 . 1 1 39 39 ASP C C 13 175.312 0.01 . . . . . A 578 ASP C . 25720 1 504 . 1 1 39 39 ASP CA C 13 51.303 0.01 . . . . . A 578 ASP CA . 25720 1 505 . 1 1 39 39 ASP CB C 13 42.825 0.01 . . . . . A 578 ASP CB . 25720 1 506 . 1 1 39 39 ASP N N 15 119.443 0.03 . . . . . A 578 ASP N . 25720 1 507 . 1 1 40 40 PRO HA H 1 4.171 0.001 . . . . . A 579 PRO HA . 25720 1 508 . 1 1 40 40 PRO HB2 H 1 2.243 0.001 . . . . . A 579 PRO HB2 . 25720 1 509 . 1 1 40 40 PRO HB3 H 1 2.243 0.001 . . . . . A 579 PRO HB3 . 25720 1 510 . 1 1 40 40 PRO HG2 H 1 2.377 0.001 . . . . . A 579 PRO HG2 . 25720 1 511 . 1 1 40 40 PRO HG3 H 1 2.119 0.001 . . . . . A 579 PRO HG3 . 25720 1 512 . 1 1 40 40 PRO HD2 H 1 4.461 0.001 . . . . . A 579 PRO HD2 . 25720 1 513 . 1 1 40 40 PRO HD3 H 1 4.090 0.001 . . . . . A 579 PRO HD3 . 25720 1 514 . 1 1 40 40 PRO C C 13 177.578 0.01 . . . . . A 579 PRO C . 25720 1 515 . 1 1 40 40 PRO CA C 13 65.395 0.01 . . . . . A 579 PRO CA . 25720 1 516 . 1 1 40 40 PRO CB C 13 32.554 0.01 . . . . . A 579 PRO CB . 25720 1 517 . 1 1 40 40 PRO CG C 13 27.603 0.01 . . . . . A 579 PRO CG . 25720 1 518 . 1 1 40 40 PRO CD C 13 51.360 0.01 . . . . . A 579 PRO CD . 25720 1 519 . 1 1 41 41 GLN H H 1 8.056 0.001 . . . . . A 580 GLN H . 25720 1 520 . 1 1 41 41 GLN HA H 1 3.692 0.001 . . . . . A 580 GLN HA . 25720 1 521 . 1 1 41 41 GLN HB2 H 1 2.300 0.001 . . . . . A 580 GLN HB2 . 25720 1 522 . 1 1 41 41 GLN HB3 H 1 2.216 0.001 . . . . . A 580 GLN HB3 . 25720 1 523 . 1 1 41 41 GLN HG2 H 1 2.616 0.001 . . . . . A 580 GLN HG2 . 25720 1 524 . 1 1 41 41 GLN HG3 H 1 2.178 0.001 . . . . . A 580 GLN HG3 . 25720 1 525 . 1 1 41 41 GLN HE21 H 1 6.948 0.001 . . . . . A 580 GLN HE21 . 25720 1 526 . 1 1 41 41 GLN HE22 H 1 7.974 0.001 . . . . . A 580 GLN HE22 . 25720 1 527 . 1 1 41 41 GLN C C 13 178.727 0.01 . . . . . A 580 GLN C . 25720 1 528 . 1 1 41 41 GLN CA C 13 60.285 0.01 . . . . . A 580 GLN CA . 25720 1 529 . 1 1 41 41 GLN CB C 13 29.273 0.01 . . . . . A 580 GLN CB . 25720 1 530 . 1 1 41 41 GLN CG C 13 36.245 0.01 . . . . . A 580 GLN CG . 25720 1 531 . 1 1 41 41 GLN CD C 13 179.831 0.01 . . . . . A 580 GLN CD . 25720 1 532 . 1 1 41 41 GLN N N 15 115.592 0.03 . . . . . A 580 GLN N . 25720 1 533 . 1 1 41 41 GLN NE2 N 15 111.614 0.03 . . . . . A 580 GLN NE2 . 25720 1 534 . 1 1 42 42 GLN H H 1 7.707 0.001 . . . . . A 581 GLN H . 25720 1 535 . 1 1 42 42 GLN HA H 1 4.149 0.001 . . . . . A 581 GLN HA . 25720 1 536 . 1 1 42 42 GLN HB2 H 1 2.103 0.001 . . . . . A 581 GLN HB2 . 25720 1 537 . 1 1 42 42 GLN HB3 H 1 2.103 0.001 . . . . . A 581 GLN HB3 . 25720 1 538 . 1 1 42 42 GLN HG2 H 1 2.475 0.001 . . . . . A 581 GLN HG2 . 25720 1 539 . 1 1 42 42 GLN HG3 H 1 2.402 0.001 . . . . . A 581 GLN HG3 . 25720 1 540 . 1 1 42 42 GLN HE21 H 1 6.862 0.001 . . . . . A 581 GLN HE21 . 25720 1 541 . 1 1 42 42 GLN HE22 H 1 7.730 0.001 . . . . . A 581 GLN HE22 . 25720 1 542 . 1 1 42 42 GLN C C 13 179.356 0.01 . . . . . A 581 GLN C . 25720 1 543 . 1 1 42 42 GLN CA C 13 58.288 0.01 . . . . . A 581 GLN CA . 25720 1 544 . 1 1 42 42 GLN CB C 13 29.104 0.01 . . . . . A 581 GLN CB . 25720 1 545 . 1 1 42 42 GLN CG C 13 34.074 0.01 . . . . . A 581 GLN CG . 25720 1 546 . 1 1 42 42 GLN CD C 13 179.040 0.01 . . . . . A 581 GLN CD . 25720 1 547 . 1 1 42 42 GLN N N 15 119.480 0.03 . . . . . A 581 GLN N . 25720 1 548 . 1 1 42 42 GLN NE2 N 15 112.406 0.03 . . . . . A 581 GLN NE2 . 25720 1 549 . 1 1 43 43 LEU H H 1 8.206 0.001 . . . . . A 582 LEU H . 25720 1 550 . 1 1 43 43 LEU HA H 1 3.730 0.001 . . . . . A 582 LEU HA . 25720 1 551 . 1 1 43 43 LEU HB2 H 1 1.890 0.001 . . . . . A 582 LEU HB2 . 25720 1 552 . 1 1 43 43 LEU HB3 H 1 1.112 0.001 . . . . . A 582 LEU HB3 . 25720 1 553 . 1 1 43 43 LEU HG H 1 1.457 0.001 . . . . . A 582 LEU HG . 25720 1 554 . 1 1 43 43 LEU HD11 H 1 0.850 0.001 . . . . . A 582 LEU HD11 . 25720 1 555 . 1 1 43 43 LEU HD12 H 1 0.850 0.001 . . . . . A 582 LEU HD12 . 25720 1 556 . 1 1 43 43 LEU HD13 H 1 0.850 0.001 . . . . . A 582 LEU HD13 . 25720 1 557 . 1 1 43 43 LEU HD21 H 1 0.800 0.001 . . . . . A 582 LEU HD21 . 25720 1 558 . 1 1 43 43 LEU HD22 H 1 0.800 0.001 . . . . . A 582 LEU HD22 . 25720 1 559 . 1 1 43 43 LEU HD23 H 1 0.800 0.001 . . . . . A 582 LEU HD23 . 25720 1 560 . 1 1 43 43 LEU C C 13 178.417 0.01 . . . . . A 582 LEU C . 25720 1 561 . 1 1 43 43 LEU CA C 13 58.358 0.01 . . . . . A 582 LEU CA . 25720 1 562 . 1 1 43 43 LEU CB C 13 42.977 0.01 . . . . . A 582 LEU CB . 25720 1 563 . 1 1 43 43 LEU CG C 13 28.343 0.01 . . . . . A 582 LEU CG . 25720 1 564 . 1 1 43 43 LEU CD1 C 13 24.397 0.01 . . . . . A 582 LEU CD1 . 25720 1 565 . 1 1 43 43 LEU CD2 C 13 25.774 0.01 . . . . . A 582 LEU CD2 . 25720 1 566 . 1 1 43 43 LEU N N 15 119.281 0.03 . . . . . A 582 LEU N . 25720 1 567 . 1 1 44 44 ALA H H 1 8.377 0.001 . . . . . A 583 ALA H . 25720 1 568 . 1 1 44 44 ALA HA H 1 3.748 0.001 . . . . . A 583 ALA HA . 25720 1 569 . 1 1 44 44 ALA HB1 H 1 1.635 0.001 . . . . . A 583 ALA HB1 . 25720 1 570 . 1 1 44 44 ALA HB2 H 1 1.635 0.001 . . . . . A 583 ALA HB2 . 25720 1 571 . 1 1 44 44 ALA HB3 H 1 1.635 0.001 . . . . . A 583 ALA HB3 . 25720 1 572 . 1 1 44 44 ALA C C 13 178.308 0.01 . . . . . A 583 ALA C . 25720 1 573 . 1 1 44 44 ALA CA C 13 55.420 0.01 . . . . . A 583 ALA CA . 25720 1 574 . 1 1 44 44 ALA CB C 13 18.211 0.01 . . . . . A 583 ALA CB . 25720 1 575 . 1 1 44 44 ALA N N 15 120.479 0.03 . . . . . A 583 ALA N . 25720 1 576 . 1 1 45 45 ALA H H 1 7.544 0.001 . . . . . A 584 ALA H . 25720 1 577 . 1 1 45 45 ALA HA H 1 4.059 0.001 . . . . . A 584 ALA HA . 25720 1 578 . 1 1 45 45 ALA HB1 H 1 1.607 0.001 . . . . . A 584 ALA HB1 . 25720 1 579 . 1 1 45 45 ALA HB2 H 1 1.607 0.001 . . . . . A 584 ALA HB2 . 25720 1 580 . 1 1 45 45 ALA HB3 H 1 1.607 0.001 . . . . . A 584 ALA HB3 . 25720 1 581 . 1 1 45 45 ALA C C 13 180.951 0.01 . . . . . A 584 ALA C . 25720 1 582 . 1 1 45 45 ALA CA C 13 55.396 0.01 . . . . . A 584 ALA CA . 25720 1 583 . 1 1 45 45 ALA CB C 13 17.915 0.01 . . . . . A 584 ALA CB . 25720 1 584 . 1 1 45 45 ALA N N 15 118.825 0.03 . . . . . A 584 ALA N . 25720 1 585 . 1 1 46 46 GLU H H 1 7.847 0.001 . . . . . A 585 GLU H . 25720 1 586 . 1 1 46 46 GLU HA H 1 4.365 0.001 . . . . . A 585 GLU HA . 25720 1 587 . 1 1 46 46 GLU HB2 H 1 1.989 0.001 . . . . . A 585 GLU HB2 . 25720 1 588 . 1 1 46 46 GLU HB3 H 1 1.759 0.001 . . . . . A 585 GLU HB3 . 25720 1 589 . 1 1 46 46 GLU HG2 H 1 2.199 0.001 . . . . . A 585 GLU HG2 . 25720 1 590 . 1 1 46 46 GLU HG3 H 1 1.341 0.001 . . . . . A 585 GLU HG3 . 25720 1 591 . 1 1 46 46 GLU C C 13 180.269 0.01 . . . . . A 585 GLU C . 25720 1 592 . 1 1 46 46 GLU CA C 13 57.808 0.01 . . . . . A 585 GLU CA . 25720 1 593 . 1 1 46 46 GLU CB C 13 28.722 0.01 . . . . . A 585 GLU CB . 25720 1 594 . 1 1 46 46 GLU CG C 13 33.921 0.01 . . . . . A 585 GLU CG . 25720 1 595 . 1 1 46 46 GLU N N 15 117.697 0.03 . . . . . A 585 GLU N . 25720 1 596 . 1 1 47 47 ILE H H 1 8.658 0.001 . . . . . A 586 ILE H . 25720 1 597 . 1 1 47 47 ILE HA H 1 3.577 0.001 . . . . . A 586 ILE HA . 25720 1 598 . 1 1 47 47 ILE HB H 1 1.263 0.001 . . . . . A 586 ILE HB . 25720 1 599 . 1 1 47 47 ILE HG12 H 1 1.720 0.001 . . . . . A 586 ILE HG12 . 25720 1 600 . 1 1 47 47 ILE HG13 H 1 0.463 0.001 . . . . . A 586 ILE HG13 . 25720 1 601 . 1 1 47 47 ILE HG21 H 1 0.149 0.001 . . . . . A 586 ILE HG21 . 25720 1 602 . 1 1 47 47 ILE HG22 H 1 0.149 0.001 . . . . . A 586 ILE HG22 . 25720 1 603 . 1 1 47 47 ILE HG23 H 1 0.149 0.001 . . . . . A 586 ILE HG23 . 25720 1 604 . 1 1 47 47 ILE HD11 H 1 0.361 0.001 . . . . . A 586 ILE HD11 . 25720 1 605 . 1 1 47 47 ILE HD12 H 1 0.361 0.001 . . . . . A 586 ILE HD12 . 25720 1 606 . 1 1 47 47 ILE HD13 H 1 0.361 0.001 . . . . . A 586 ILE HD13 . 25720 1 607 . 1 1 47 47 ILE C C 13 177.552 0.01 . . . . . A 586 ILE C . 25720 1 608 . 1 1 47 47 ILE CA C 13 65.986 0.01 . . . . . A 586 ILE CA . 25720 1 609 . 1 1 47 47 ILE CB C 13 37.334 0.01 . . . . . A 586 ILE CB . 25720 1 610 . 1 1 47 47 ILE CG1 C 13 29.600 0.01 . . . . . A 586 ILE CG1 . 25720 1 611 . 1 1 47 47 ILE CG2 C 13 17.916 0.01 . . . . . A 586 ILE CG2 . 25720 1 612 . 1 1 47 47 ILE CD1 C 13 16.275 0.01 . . . . . A 586 ILE CD1 . 25720 1 613 . 1 1 47 47 ILE N N 15 123.573 0.03 . . . . . A 586 ILE N . 25720 1 614 . 1 1 48 48 LEU H H 1 7.933 0.001 . . . . . A 587 LEU H . 25720 1 615 . 1 1 48 48 LEU HA H 1 4.063 0.001 . . . . . A 587 LEU HA . 25720 1 616 . 1 1 48 48 LEU HB2 H 1 1.939 0.001 . . . . . A 587 LEU HB2 . 25720 1 617 . 1 1 48 48 LEU HB3 H 1 1.657 0.001 . . . . . A 587 LEU HB3 . 25720 1 618 . 1 1 48 48 LEU HG H 1 1.927 0.001 . . . . . A 587 LEU HG . 25720 1 619 . 1 1 48 48 LEU HD11 H 1 1.177 0.001 . . . . . A 587 LEU HD11 . 25720 1 620 . 1 1 48 48 LEU HD12 H 1 1.177 0.001 . . . . . A 587 LEU HD12 . 25720 1 621 . 1 1 48 48 LEU HD13 H 1 1.177 0.001 . . . . . A 587 LEU HD13 . 25720 1 622 . 1 1 48 48 LEU HD21 H 1 1.062 0.001 . . . . . A 587 LEU HD21 . 25720 1 623 . 1 1 48 48 LEU HD22 H 1 1.062 0.001 . . . . . A 587 LEU HD22 . 25720 1 624 . 1 1 48 48 LEU HD23 H 1 1.062 0.001 . . . . . A 587 LEU HD23 . 25720 1 625 . 1 1 48 48 LEU C C 13 179.811 0.01 . . . . . A 587 LEU C . 25720 1 626 . 1 1 48 48 LEU CA C 13 58.145 0.01 . . . . . A 587 LEU CA . 25720 1 627 . 1 1 48 48 LEU CB C 13 41.254 0.01 . . . . . A 587 LEU CB . 25720 1 628 . 1 1 48 48 LEU CG C 13 27.593 0.01 . . . . . A 587 LEU CG . 25720 1 629 . 1 1 48 48 LEU CD1 C 13 23.758 0.01 . . . . . A 587 LEU CD1 . 25720 1 630 . 1 1 48 48 LEU CD2 C 13 26.081 0.01 . . . . . A 587 LEU CD2 . 25720 1 631 . 1 1 48 48 LEU N N 15 119.631 0.03 . . . . . A 587 LEU N . 25720 1 632 . 1 1 49 49 SER H H 1 7.987 0.001 . . . . . A 588 SER H . 25720 1 633 . 1 1 49 49 SER HA H 1 4.369 0.001 . . . . . A 588 SER HA . 25720 1 634 . 1 1 49 49 SER HB2 H 1 4.056 0.001 . . . . . A 588 SER HB2 . 25720 1 635 . 1 1 49 49 SER HB3 H 1 4.056 0.001 . . . . . A 588 SER HB3 . 25720 1 636 . 1 1 49 49 SER C C 13 176.597 0.01 . . . . . A 588 SER C . 25720 1 637 . 1 1 49 49 SER CA C 13 60.854 0.01 . . . . . A 588 SER CA . 25720 1 638 . 1 1 49 49 SER CB C 13 63.082 0.01 . . . . . A 588 SER CB . 25720 1 639 . 1 1 49 49 SER N N 15 114.863 0.03 . . . . . A 588 SER N . 25720 1 640 . 1 1 50 50 TYR H H 1 8.423 0.001 . . . . . A 589 TYR H . 25720 1 641 . 1 1 50 50 TYR HA H 1 4.279 0.001 . . . . . A 589 TYR HA . 25720 1 642 . 1 1 50 50 TYR HB2 H 1 3.170 0.001 . . . . . A 589 TYR HB2 . 25720 1 643 . 1 1 50 50 TYR HB3 H 1 3.170 0.001 . . . . . A 589 TYR HB3 . 25720 1 644 . 1 1 50 50 TYR HD1 H 1 7.020 0.001 . . . . . A 589 TYR HD1 . 25720 1 645 . 1 1 50 50 TYR HD2 H 1 7.020 0.001 . . . . . A 589 TYR HD2 . 25720 1 646 . 1 1 50 50 TYR HE1 H 1 6.647 0.001 . . . . . A 589 TYR HE1 . 25720 1 647 . 1 1 50 50 TYR HE2 H 1 6.647 0.001 . . . . . A 589 TYR HE2 . 25720 1 648 . 1 1 50 50 TYR C C 13 178.431 0.01 . . . . . A 589 TYR C . 25720 1 649 . 1 1 50 50 TYR CA C 13 61.453 0.01 . . . . . A 589 TYR CA . 25720 1 650 . 1 1 50 50 TYR CB C 13 39.074 0.01 . . . . . A 589 TYR CB . 25720 1 651 . 1 1 50 50 TYR CD1 C 13 133.056 0.01 . . . . . A 589 TYR CD1 . 25720 1 652 . 1 1 50 50 TYR CD2 C 13 133.056 0.01 . . . . . A 589 TYR CD2 . 25720 1 653 . 1 1 50 50 TYR CE1 C 13 117.849 0.01 . . . . . A 589 TYR CE1 . 25720 1 654 . 1 1 50 50 TYR CE2 C 13 117.849 0.01 . . . . . A 589 TYR CE2 . 25720 1 655 . 1 1 50 50 TYR N N 15 123.628 0.03 . . . . . A 589 TYR N . 25720 1 656 . 1 1 51 51 LYS H H 1 8.651 0.001 . . . . . A 590 LYS H . 25720 1 657 . 1 1 51 51 LYS HA H 1 4.115 0.001 . . . . . A 590 LYS HA . 25720 1 658 . 1 1 51 51 LYS HB2 H 1 2.010 0.001 . . . . . A 590 LYS HB2 . 25720 1 659 . 1 1 51 51 LYS HB3 H 1 2.010 0.001 . . . . . A 590 LYS HB3 . 25720 1 660 . 1 1 51 51 LYS HG2 H 1 1.744 0.001 . . . . . A 590 LYS HG2 . 25720 1 661 . 1 1 51 51 LYS HG3 H 1 1.568 0.001 . . . . . A 590 LYS HG3 . 25720 1 662 . 1 1 51 51 LYS HD2 H 1 1.835 0.001 . . . . . A 590 LYS HD2 . 25720 1 663 . 1 1 51 51 LYS HD3 H 1 1.750 0.001 . . . . . A 590 LYS HD3 . 25720 1 664 . 1 1 51 51 LYS HE2 H 1 3.117 0.001 . . . . . A 590 LYS HE2 . 25720 1 665 . 1 1 51 51 LYS HE3 H 1 3.117 0.001 . . . . . A 590 LYS HE3 . 25720 1 666 . 1 1 51 51 LYS C C 13 178.057 0.01 . . . . . A 590 LYS C . 25720 1 667 . 1 1 51 51 LYS CA C 13 58.933 0.01 . . . . . A 590 LYS CA . 25720 1 668 . 1 1 51 51 LYS CB C 13 32.760 0.01 . . . . . A 590 LYS CB . 25720 1 669 . 1 1 51 51 LYS CG C 13 24.798 0.01 . . . . . A 590 LYS CG . 25720 1 670 . 1 1 51 51 LYS CD C 13 29.549 0.01 . . . . . A 590 LYS CD . 25720 1 671 . 1 1 51 51 LYS CE C 13 41.820 0.01 . . . . . A 590 LYS CE . 25720 1 672 . 1 1 51 51 LYS N N 15 120.289 0.03 . . . . . A 590 LYS N . 25720 1 673 . 1 1 52 52 SER H H 1 7.835 0.001 . . . . . A 591 SER H . 25720 1 674 . 1 1 52 52 SER HA H 1 4.347 0.001 . . . . . A 591 SER HA . 25720 1 675 . 1 1 52 52 SER HB2 H 1 4.067 0.001 . . . . . A 591 SER HB2 . 25720 1 676 . 1 1 52 52 SER HB3 H 1 4.067 0.001 . . . . . A 591 SER HB3 . 25720 1 677 . 1 1 52 52 SER C C 13 175.194 0.01 . . . . . A 591 SER C . 25720 1 678 . 1 1 52 52 SER CA C 13 60.409 0.01 . . . . . A 591 SER CA . 25720 1 679 . 1 1 52 52 SER CB C 13 63.530 0.01 . . . . . A 591 SER CB . 25720 1 680 . 1 1 52 52 SER N N 15 113.484 0.03 . . . . . A 591 SER N . 25720 1 681 . 1 1 53 53 GLN H H 1 7.756 0.001 . . . . . A 592 GLN H . 25720 1 682 . 1 1 53 53 GLN HA H 1 4.290 0.001 . . . . . A 592 GLN HA . 25720 1 683 . 1 1 53 53 GLN HB2 H 1 2.012 0.001 . . . . . A 592 GLN HB2 . 25720 1 684 . 1 1 53 53 GLN HB3 H 1 1.876 0.001 . . . . . A 592 GLN HB3 . 25720 1 685 . 1 1 53 53 GLN HG2 H 1 2.442 0.001 . . . . . A 592 GLN HG2 . 25720 1 686 . 1 1 53 53 GLN HG3 H 1 2.327 0.001 . . . . . A 592 GLN HG3 . 25720 1 687 . 1 1 53 53 GLN HE21 H 1 6.880 0.001 . . . . . A 592 GLN HE21 . 25720 1 688 . 1 1 53 53 GLN HE22 H 1 7.347 0.001 . . . . . A 592 GLN HE22 . 25720 1 689 . 1 1 53 53 GLN C C 13 175.732 0.01 . . . . . A 592 GLN C . 25720 1 690 . 1 1 53 53 GLN CA C 13 56.265 0.01 . . . . . A 592 GLN CA . 25720 1 691 . 1 1 53 53 GLN CB C 13 29.763 0.01 . . . . . A 592 GLN CB . 25720 1 692 . 1 1 53 53 GLN CG C 13 34.096 0.01 . . . . . A 592 GLN CG . 25720 1 693 . 1 1 53 53 GLN CD C 13 180.355 0.01 . . . . . A 592 GLN CD . 25720 1 694 . 1 1 53 53 GLN N N 15 119.076 0.03 . . . . . A 592 GLN N . 25720 1 695 . 1 1 53 53 GLN NE2 N 15 112.079 0.03 . . . . . A 592 GLN NE2 . 25720 1 696 . 1 1 54 54 HIS H H 1 7.999 0.001 . . . . . A 593 HIS H . 25720 1 697 . 1 1 54 54 HIS HA H 1 4.669 0.001 . . . . . A 593 HIS HA . 25720 1 698 . 1 1 54 54 HIS HB2 H 1 3.228 0.001 . . . . . A 593 HIS HB2 . 25720 1 699 . 1 1 54 54 HIS HB3 H 1 2.841 0.001 . . . . . A 593 HIS HB3 . 25720 1 700 . 1 1 54 54 HIS HD2 H 1 6.987 0.001 . . . . . A 593 HIS HD2 . 25720 1 701 . 1 1 54 54 HIS HE1 H 1 8.342 0.001 . . . . . A 593 HIS HE1 . 25720 1 702 . 1 1 54 54 HIS C C 13 174.357 0.01 . . . . . A 593 HIS C . 25720 1 703 . 1 1 54 54 HIS CA C 13 55.734 0.01 . . . . . A 593 HIS CA . 25720 1 704 . 1 1 54 54 HIS CB C 13 28.771 0.01 . . . . . A 593 HIS CB . 25720 1 705 . 1 1 54 54 HIS CD2 C 13 120.274 0.01 . . . . . A 593 HIS CD2 . 25720 1 706 . 1 1 54 54 HIS CE1 C 13 136.542 0.01 . . . . . A 593 HIS CE1 . 25720 1 707 . 1 1 54 54 HIS N N 15 117.993 0.03 . . . . . A 593 HIS N . 25720 1 708 . 1 1 55 55 LEU H H 1 8.115 0.001 . . . . . A 594 LEU H . 25720 1 709 . 1 1 55 55 LEU HA H 1 4.415 0.001 . . . . . A 594 LEU HA . 25720 1 710 . 1 1 55 55 LEU HB2 H 1 1.671 0.001 . . . . . A 594 LEU HB2 . 25720 1 711 . 1 1 55 55 LEU HB3 H 1 1.671 0.001 . . . . . A 594 LEU HB3 . 25720 1 712 . 1 1 55 55 LEU HG H 1 1.653 0.001 . . . . . A 594 LEU HG . 25720 1 713 . 1 1 55 55 LEU HD11 H 1 0.965 0.001 . . . . . A 594 LEU HD11 . 25720 1 714 . 1 1 55 55 LEU HD12 H 1 0.965 0.001 . . . . . A 594 LEU HD12 . 25720 1 715 . 1 1 55 55 LEU HD13 H 1 0.965 0.001 . . . . . A 594 LEU HD13 . 25720 1 716 . 1 1 55 55 LEU HD21 H 1 0.922 0.001 . . . . . A 594 LEU HD21 . 25720 1 717 . 1 1 55 55 LEU HD22 H 1 0.922 0.001 . . . . . A 594 LEU HD22 . 25720 1 718 . 1 1 55 55 LEU HD23 H 1 0.922 0.001 . . . . . A 594 LEU HD23 . 25720 1 719 . 1 1 55 55 LEU C C 13 177.458 0.01 . . . . . A 594 LEU C . 25720 1 720 . 1 1 55 55 LEU CA C 13 55.795 0.01 . . . . . A 594 LEU CA . 25720 1 721 . 1 1 55 55 LEU CB C 13 42.387 0.01 . . . . . A 594 LEU CB . 25720 1 722 . 1 1 55 55 LEU CG C 13 27.023 0.01 . . . . . A 594 LEU CG . 25720 1 723 . 1 1 55 55 LEU CD1 C 13 25.217 0.01 . . . . . A 594 LEU CD1 . 25720 1 724 . 1 1 55 55 LEU CD2 C 13 23.830 0.01 . . . . . A 594 LEU CD2 . 25720 1 725 . 1 1 55 55 LEU N N 15 122.399 0.03 . . . . . A 594 LEU N . 25720 1 726 . 1 1 56 56 SER H H 1 8.331 0.001 . . . . . A 595 SER H . 25720 1 727 . 1 1 56 56 SER HA H 1 4.565 0.001 . . . . . A 595 SER HA . 25720 1 728 . 1 1 56 56 SER HB2 H 1 3.951 0.001 . . . . . A 595 SER HB2 . 25720 1 729 . 1 1 56 56 SER HB3 H 1 3.951 0.001 . . . . . A 595 SER HB3 . 25720 1 730 . 1 1 56 56 SER C C 13 173.581 0.01 . . . . . A 595 SER C . 25720 1 731 . 1 1 56 56 SER CA C 13 58.302 0.01 . . . . . A 595 SER CA . 25720 1 732 . 1 1 56 56 SER CB C 13 64.076 0.01 . . . . . A 595 SER CB . 25720 1 733 . 1 1 56 56 SER N N 15 115.755 0.03 . . . . . A 595 SER N . 25720 1 734 . 1 1 57 57 GLU H H 1 7.987 0.001 . . . . . A 596 GLU H . 25720 1 735 . 1 1 57 57 GLU HA H 1 4.229 0.001 . . . . . A 596 GLU HA . 25720 1 736 . 1 1 57 57 GLU HB2 H 1 2.164 0.001 . . . . . A 596 GLU HB2 . 25720 1 737 . 1 1 57 57 GLU HB3 H 1 1.982 0.001 . . . . . A 596 GLU HB3 . 25720 1 738 . 1 1 57 57 GLU HG2 H 1 2.284 0.001 . . . . . A 596 GLU HG2 . 25720 1 739 . 1 1 57 57 GLU HG3 H 1 2.284 0.001 . . . . . A 596 GLU HG3 . 25720 1 740 . 1 1 57 57 GLU C C 13 181.107 0.01 . . . . . A 596 GLU C . 25720 1 741 . 1 1 57 57 GLU CA C 13 58.109 0.01 . . . . . A 596 GLU CA . 25720 1 742 . 1 1 57 57 GLU CB C 13 31.266 0.01 . . . . . A 596 GLU CB . 25720 1 743 . 1 1 57 57 GLU CG C 13 36.803 0.01 . . . . . A 596 GLU CG . 25720 1 744 . 1 1 57 57 GLU N N 15 127.512 0.03 . . . . . A 596 GLU N . 25720 1 stop_ save_