data_30725 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30725 _Entry.Title ; Solution structure of the N-terminal helix-hairpin-helix domain of human MUS81 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-19 _Entry.Accession_date 2020-02-19 _Entry.Last_release_date 2020-05-06 _Entry.Original_release_date 2020-05-06 _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 B. Payliss B. . . . 30725 2 S. Houliston S. . . . 30725 3 A. Lemak A. . . . 30725 4 C. Arrowsmith C. H. . . 30725 5 H. Wyatt H. D.M. . . 30725 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 30725 'DNA repair' . 30725 'branched DNA structure' . 30725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 30725 '15N chemical shifts' 82 30725 '1H chemical shifts' 629 30725 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 . . 2022-11-17 2020-02-19 update BMRB 'update entry citation' 30725 1 . . 2021-02-20 2020-02-19 original author 'original release' 30725 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6VWB 'BMRB Entry Tracking System' 30725 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30725 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36288699 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 41 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 111537 _Citation.Page_last 111537 _Citation.Year 2022 _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 Brandon Payliss B. J. . . 30725 1 2 'Ying Wah' Tse . . . . 30725 1 3 Sean Reichheld S. E. . . 30725 1 4 Alexander Lemak A. . . . 30725 1 5 'Hwa Young' Yun H. Y. . . 30725 1 6 Scott Houliston S. . . . 30725 1 7 Ayushi Patel A. . . . 30725 1 8 Cheryl Arrowsmith C. H. . . 30725 1 9 Simon Sharpe S. . . . 30725 1 10 Haley Wyatt . . . . 30725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30725 _Assembly.ID 1 _Assembly.Name 'Crossover junction endonuclease MUS81 (E.C.3.1.22.-)' _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 'all free' _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 . . . . . . 30725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30725 _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 ; AAAPVRLGRKRPLPACPNPL FVRWLTEWRDEATRSRRRTR FVFQKALRSLRRYPLPLRSG KEAKILQHFGDGLCRMLDER LQRHRTSGGD ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.22.- _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10618.409 _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 . ALA . 30725 1 2 . ALA . 30725 1 3 . ALA . 30725 1 4 . PRO . 30725 1 5 . VAL . 30725 1 6 . ARG . 30725 1 7 . LEU . 30725 1 8 . GLY . 30725 1 9 . ARG . 30725 1 10 . LYS . 30725 1 11 . ARG . 30725 1 12 . PRO . 30725 1 13 . LEU . 30725 1 14 . PRO . 30725 1 15 . ALA . 30725 1 16 . CYS . 30725 1 17 . PRO . 30725 1 18 . ASN . 30725 1 19 . PRO . 30725 1 20 . LEU . 30725 1 21 . PHE . 30725 1 22 . VAL . 30725 1 23 . ARG . 30725 1 24 . TRP . 30725 1 25 . LEU . 30725 1 26 . THR . 30725 1 27 . GLU . 30725 1 28 . TRP . 30725 1 29 . ARG . 30725 1 30 . ASP . 30725 1 31 . GLU . 30725 1 32 . ALA . 30725 1 33 . THR . 30725 1 34 . ARG . 30725 1 35 . SER . 30725 1 36 . ARG . 30725 1 37 . ARG . 30725 1 38 . ARG . 30725 1 39 . THR . 30725 1 40 . ARG . 30725 1 41 . PHE . 30725 1 42 . VAL . 30725 1 43 . PHE . 30725 1 44 . GLN . 30725 1 45 . LYS . 30725 1 46 . ALA . 30725 1 47 . LEU . 30725 1 48 . ARG . 30725 1 49 . SER . 30725 1 50 . LEU . 30725 1 51 . ARG . 30725 1 52 . ARG . 30725 1 53 . TYR . 30725 1 54 . PRO . 30725 1 55 . LEU . 30725 1 56 . PRO . 30725 1 57 . LEU . 30725 1 58 . ARG . 30725 1 59 . SER . 30725 1 60 . GLY . 30725 1 61 . LYS . 30725 1 62 . GLU . 30725 1 63 . ALA . 30725 1 64 . LYS . 30725 1 65 . ILE . 30725 1 66 . LEU . 30725 1 67 . GLN . 30725 1 68 . HIS . 30725 1 69 . PHE . 30725 1 70 . GLY . 30725 1 71 . ASP . 30725 1 72 . GLY . 30725 1 73 . LEU . 30725 1 74 . CYS . 30725 1 75 . ARG . 30725 1 76 . MET . 30725 1 77 . LEU . 30725 1 78 . ASP . 30725 1 79 . GLU . 30725 1 80 . ARG . 30725 1 81 . LEU . 30725 1 82 . GLN . 30725 1 83 . ARG . 30725 1 84 . HIS . 30725 1 85 . ARG . 30725 1 86 . THR . 30725 1 87 . SER . 30725 1 88 . GLY . 30725 1 89 . GLY . 30725 1 90 . ASP . 30725 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 . ALA 1 1 30725 1 . ALA 2 2 30725 1 . ALA 3 3 30725 1 . PRO 4 4 30725 1 . VAL 5 5 30725 1 . ARG 6 6 30725 1 . LEU 7 7 30725 1 . GLY 8 8 30725 1 . ARG 9 9 30725 1 . LYS 10 10 30725 1 . ARG 11 11 30725 1 . PRO 12 12 30725 1 . LEU 13 13 30725 1 . PRO 14 14 30725 1 . ALA 15 15 30725 1 . CYS 16 16 30725 1 . PRO 17 17 30725 1 . ASN 18 18 30725 1 . PRO 19 19 30725 1 . LEU 20 20 30725 1 . PHE 21 21 30725 1 . VAL 22 22 30725 1 . ARG 23 23 30725 1 . TRP 24 24 30725 1 . LEU 25 25 30725 1 . THR 26 26 30725 1 . GLU 27 27 30725 1 . TRP 28 28 30725 1 . ARG 29 29 30725 1 . ASP 30 30 30725 1 . GLU 31 31 30725 1 . ALA 32 32 30725 1 . THR 33 33 30725 1 . ARG 34 34 30725 1 . SER 35 35 30725 1 . ARG 36 36 30725 1 . ARG 37 37 30725 1 . ARG 38 38 30725 1 . THR 39 39 30725 1 . ARG 40 40 30725 1 . PHE 41 41 30725 1 . VAL 42 42 30725 1 . PHE 43 43 30725 1 . GLN 44 44 30725 1 . LYS 45 45 30725 1 . ALA 46 46 30725 1 . LEU 47 47 30725 1 . ARG 48 48 30725 1 . SER 49 49 30725 1 . LEU 50 50 30725 1 . ARG 51 51 30725 1 . ARG 52 52 30725 1 . TYR 53 53 30725 1 . PRO 54 54 30725 1 . LEU 55 55 30725 1 . PRO 56 56 30725 1 . LEU 57 57 30725 1 . ARG 58 58 30725 1 . SER 59 59 30725 1 . GLY 60 60 30725 1 . LYS 61 61 30725 1 . GLU 62 62 30725 1 . ALA 63 63 30725 1 . LYS 64 64 30725 1 . ILE 65 65 30725 1 . LEU 66 66 30725 1 . GLN 67 67 30725 1 . HIS 68 68 30725 1 . PHE 69 69 30725 1 . GLY 70 70 30725 1 . ASP 71 71 30725 1 . GLY 72 72 30725 1 . LEU 73 73 30725 1 . CYS 74 74 30725 1 . ARG 75 75 30725 1 . MET 76 76 30725 1 . LEU 77 77 30725 1 . ASP 78 78 30725 1 . GLU 79 79 30725 1 . ARG 80 80 30725 1 . LEU 81 81 30725 1 . GLN 82 82 30725 1 . ARG 83 83 30725 1 . HIS 84 84 30725 1 . ARG 85 85 30725 1 . THR 86 86 30725 1 . SER 87 87 30725 1 . GLY 88 88 30725 1 . GLY 89 89 30725 1 . ASP 90 90 30725 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 30725 _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 . . . . . . . . . . . MUS81 . 30725 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 30725 _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 . . . . . . . . . . 30725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30725 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '350 uM [U-13C; U-15N] Labeled Protein, 25 mM sodium phosphate, 100 mM sodium chloride, 100 uM EDTA, 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 'Labeled Protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 350 . . uM . . . . 30725 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30725 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30725 1 4 EDTA 'natural abundance' . . . . . . 100 . . uM . . . . 30725 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 30725 _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' 100 . mM 30725 1 pH 7.4 . pH 30725 1 pressure 1 . atm 30725 1 temperature 298 . K 30725 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30725 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30725 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30725 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30725 _Software.ID 2 _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' . . 30725 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30725 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30725 _Software.ID 3 _Software.Type . _Software.Name ABACUS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lemak and Arrowsmith' . . 30725 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30725 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30725 _Software.ID 4 _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 . . 30725 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30725 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 30725 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30725 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30725 _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 II' . 800 . . . 30725 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 30725 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 30725 _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 HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30725 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30725 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30725 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30725 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30725 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 30725 _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 TMS 'methyl protons' . . . . ppm 0 external indirect 0.231 . . . . . 30725 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 30725 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.1013 . . . . . 30725 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 30725 _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 HNCO' . . . 30725 1 2 '3D HNCA' . . . 30725 1 3 '3D HBHA(CO)NH' . . . 30725 1 4 '3D CBCA(CO)NH' . . . 30725 1 5 '2D 1H-15N HSQC' . . . 30725 1 6 '3D 1H-13C NOESY aliphatic' . . . 30725 1 7 '3D 1H-15N NOESY' . . . 30725 1 8 '2D 1H-13C HSQC aliphatic' . . . 30725 1 9 '3D 1H-13C NOESY aromatic' . . . 30725 1 10 '3D HCCH-TOCSY' . . . 30725 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 ALA HA H 1 4.296 0.04 . 1 . . . . A 1 ALA HA . 30725 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.336 0.04 . 1 . . . . A 1 ALA HB1 . 30725 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.336 0.04 . 1 . . . . A 1 ALA HB2 . 30725 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.336 0.04 . 1 . . . . A 1 ALA HB3 . 30725 1 5 . 1 . 1 1 1 ALA CA C 13 52.118 0.40 . 1 . . . . A 1 ALA CA . 30725 1 6 . 1 . 1 1 1 ALA CB C 13 19.285 0.40 . 1 . . . . A 1 ALA CB . 30725 1 7 . 1 . 1 2 2 ALA H H 1 8.362 0.04 . 1 . . . . A 2 ALA H . 30725 1 8 . 1 . 1 2 2 ALA HA H 1 4.538 0.04 . 1 . . . . A 2 ALA HA . 30725 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.326 0.04 . 1 . . . . A 2 ALA HB1 . 30725 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.326 0.04 . 1 . . . . A 2 ALA HB2 . 30725 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.326 0.04 . 1 . . . . A 2 ALA HB3 . 30725 1 12 . 1 . 1 2 2 ALA CA C 13 50.393 0.40 . 1 . . . . A 2 ALA CA . 30725 1 13 . 1 . 1 2 2 ALA CB C 13 18.007 0.40 . 1 . . . . A 2 ALA CB . 30725 1 14 . 1 . 1 2 2 ALA N N 15 125.388 0.40 . 1 . . . . A 2 ALA N . 30725 1 15 . 1 . 1 3 3 ALA HA H 1 4.007 0.04 . 1 . . . . A 3 ALA HA . 30725 1 16 . 1 . 1 3 3 ALA HB1 H 1 1.469 0.04 . 1 . . . . A 3 ALA HB1 . 30725 1 17 . 1 . 1 3 3 ALA HB2 H 1 1.469 0.04 . 1 . . . . A 3 ALA HB2 . 30725 1 18 . 1 . 1 3 3 ALA HB3 H 1 1.469 0.04 . 1 . . . . A 3 ALA HB3 . 30725 1 19 . 1 . 1 3 3 ALA CA C 13 51.740 0.40 . 1 . . . . A 3 ALA CA . 30725 1 20 . 1 . 1 3 3 ALA CB C 13 19.608 0.40 . 1 . . . . A 3 ALA CB . 30725 1 21 . 1 . 1 4 4 PRO HA H 1 4.399 0.04 . 1 . . . . A 4 PRO HA . 30725 1 22 . 1 . 1 4 4 PRO HB2 H 1 2.237 0.04 . 2 . . . . A 4 PRO HB2 . 30725 1 23 . 1 . 1 4 4 PRO HB3 H 1 1.803 0.04 . 2 . . . . A 4 PRO HB3 . 30725 1 24 . 1 . 1 4 4 PRO HG2 H 1 2.100 0.04 . 2 . . . . A 4 PRO HG2 . 30725 1 25 . 1 . 1 4 4 PRO HG3 H 1 2.100 0.04 . 2 . . . . A 4 PRO HG3 . 30725 1 26 . 1 . 1 4 4 PRO HD2 H 1 3.771 0.04 . 2 . . . . A 4 PRO HD2 . 30725 1 27 . 1 . 1 4 4 PRO HD3 H 1 3.591 0.04 . 2 . . . . A 4 PRO HD3 . 30725 1 28 . 1 . 1 4 4 PRO C C 13 176.778 0.40 . 1 . . . . A 4 PRO C . 30725 1 29 . 1 . 1 4 4 PRO CA C 13 62.862 0.40 . 1 . . . . A 4 PRO CA . 30725 1 30 . 1 . 1 4 4 PRO CB C 13 32.057 0.40 . 1 . . . . A 4 PRO CB . 30725 1 31 . 1 . 1 4 4 PRO CG C 13 27.679 0.40 . 1 . . . . A 4 PRO CG . 30725 1 32 . 1 . 1 4 4 PRO CD C 13 50.485 0.40 . 1 . . . . A 4 PRO CD . 30725 1 33 . 1 . 1 5 5 VAL H H 1 8.204 0.04 . 1 . . . . A 5 VAL H . 30725 1 34 . 1 . 1 5 5 VAL HA H 1 3.998 0.04 . 1 . . . . A 5 VAL HA . 30725 1 35 . 1 . 1 5 5 VAL HB H 1 1.976 0.04 . 1 . . . . A 5 VAL HB . 30725 1 36 . 1 . 1 5 5 VAL HG11 H 1 0.883 0.04 . 2 . . . . A 5 VAL HG11 . 30725 1 37 . 1 . 1 5 5 VAL HG12 H 1 0.883 0.04 . 2 . . . . A 5 VAL HG12 . 30725 1 38 . 1 . 1 5 5 VAL HG13 H 1 0.883 0.04 . 2 . . . . A 5 VAL HG13 . 30725 1 39 . 1 . 1 5 5 VAL HG21 H 1 0.925 0.04 . 2 . . . . A 5 VAL HG21 . 30725 1 40 . 1 . 1 5 5 VAL HG22 H 1 0.925 0.04 . 2 . . . . A 5 VAL HG22 . 30725 1 41 . 1 . 1 5 5 VAL HG23 H 1 0.925 0.04 . 2 . . . . A 5 VAL HG23 . 30725 1 42 . 1 . 1 5 5 VAL C C 13 176.088 0.40 . 1 . . . . A 5 VAL C . 30725 1 43 . 1 . 1 5 5 VAL CA C 13 62.424 0.40 . 1 . . . . A 5 VAL CA . 30725 1 44 . 1 . 1 5 5 VAL CB C 13 32.680 0.40 . 1 . . . . A 5 VAL CB . 30725 1 45 . 1 . 1 5 5 VAL CG1 C 13 21.127 0.40 . 2 . . . . A 5 VAL CG1 . 30725 1 46 . 1 . 1 5 5 VAL CG2 C 13 20.707 0.40 . 2 . . . . A 5 VAL CG2 . 30725 1 47 . 1 . 1 5 5 VAL N N 15 121.038 0.40 . 1 . . . . A 5 VAL N . 30725 1 48 . 1 . 1 6 6 ARG H H 1 8.409 0.04 . 1 . . . . A 6 ARG H . 30725 1 49 . 1 . 1 6 6 ARG HA H 1 4.310 0.04 . 1 . . . . A 6 ARG HA . 30725 1 50 . 1 . 1 6 6 ARG HB2 H 1 1.741 0.04 . 2 . . . . A 6 ARG HB2 . 30725 1 51 . 1 . 1 6 6 ARG HB3 H 1 1.707 0.04 . 2 . . . . A 6 ARG HB3 . 30725 1 52 . 1 . 1 6 6 ARG HD2 H 1 3.257 0.04 . 2 . . . . A 6 ARG HD2 . 30725 1 53 . 1 . 1 6 6 ARG HD3 H 1 3.151 0.04 . 2 . . . . A 6 ARG HD3 . 30725 1 54 . 1 . 1 6 6 ARG C C 13 175.920 0.40 . 1 . . . . A 6 ARG C . 30725 1 55 . 1 . 1 6 6 ARG CA C 13 55.829 0.40 . 1 . . . . A 6 ARG CA . 30725 1 56 . 1 . 1 6 6 ARG CB C 13 30.765 0.40 . 1 . . . . A 6 ARG CB . 30725 1 57 . 1 . 1 6 6 ARG CD C 13 43.562 0.40 . 1 . . . . A 6 ARG CD . 30725 1 58 . 1 . 1 6 6 ARG N N 15 125.472 0.40 . 1 . . . . A 6 ARG N . 30725 1 59 . 1 . 1 7 7 LEU H H 1 8.343 0.04 . 1 . . . . A 7 LEU H . 30725 1 60 . 1 . 1 7 7 LEU HA H 1 4.302 0.04 . 1 . . . . A 7 LEU HA . 30725 1 61 . 1 . 1 7 7 LEU HB2 H 1 1.632 0.04 . 2 . . . . A 7 LEU HB2 . 30725 1 62 . 1 . 1 7 7 LEU HB3 H 1 1.530 0.04 . 2 . . . . A 7 LEU HB3 . 30725 1 63 . 1 . 1 7 7 LEU HG H 1 1.555 0.04 . 1 . . . . A 7 LEU HG . 30725 1 64 . 1 . 1 7 7 LEU HD11 H 1 0.823 0.04 . 2 . . . . A 7 LEU HD11 . 30725 1 65 . 1 . 1 7 7 LEU HD12 H 1 0.823 0.04 . 2 . . . . A 7 LEU HD12 . 30725 1 66 . 1 . 1 7 7 LEU HD13 H 1 0.823 0.04 . 2 . . . . A 7 LEU HD13 . 30725 1 67 . 1 . 1 7 7 LEU HD21 H 1 0.749 0.04 . 2 . . . . A 7 LEU HD21 . 30725 1 68 . 1 . 1 7 7 LEU HD22 H 1 0.749 0.04 . 2 . . . . A 7 LEU HD22 . 30725 1 69 . 1 . 1 7 7 LEU HD23 H 1 0.749 0.04 . 2 . . . . A 7 LEU HD23 . 30725 1 70 . 1 . 1 7 7 LEU C C 13 177.763 0.40 . 1 . . . . A 7 LEU C . 30725 1 71 . 1 . 1 7 7 LEU CA C 13 55.063 0.40 . 1 . . . . A 7 LEU CA . 30725 1 72 . 1 . 1 7 7 LEU CB C 13 42.425 0.40 . 1 . . . . A 7 LEU CB . 30725 1 73 . 1 . 1 7 7 LEU CG C 13 27.040 0.40 . 1 . . . . A 7 LEU CG . 30725 1 74 . 1 . 1 7 7 LEU CD1 C 13 23.322 0.40 . 2 . . . . A 7 LEU CD1 . 30725 1 75 . 1 . 1 7 7 LEU CD2 C 13 23.336 0.40 . 2 . . . . A 7 LEU CD2 . 30725 1 76 . 1 . 1 7 7 LEU N N 15 124.425 0.40 . 1 . . . . A 7 LEU N . 30725 1 77 . 1 . 1 8 8 GLY H H 1 8.409 0.04 . 1 . . . . A 8 GLY H . 30725 1 78 . 1 . 1 8 8 GLY HA2 H 1 3.930 0.04 . 2 . . . . A 8 GLY HA2 . 30725 1 79 . 1 . 1 8 8 GLY HA3 H 1 3.891 0.04 . 2 . . . . A 8 GLY HA3 . 30725 1 80 . 1 . 1 8 8 GLY C C 13 173.931 0.40 . 1 . . . . A 8 GLY C . 30725 1 81 . 1 . 1 8 8 GLY CA C 13 45.219 0.40 . 1 . . . . A 8 GLY CA . 30725 1 82 . 1 . 1 8 8 GLY N N 15 109.839 0.40 . 1 . . . . A 8 GLY N . 30725 1 83 . 1 . 1 9 9 ARG H H 1 8.186 0.04 . 1 . . . . A 9 ARG H . 30725 1 84 . 1 . 1 9 9 ARG HA H 1 4.284 0.04 . 1 . . . . A 9 ARG HA . 30725 1 85 . 1 . 1 9 9 ARG HB2 H 1 1.799 0.04 . 2 . . . . A 9 ARG HB2 . 30725 1 86 . 1 . 1 9 9 ARG HB3 H 1 1.707 0.04 . 2 . . . . A 9 ARG HB3 . 30725 1 87 . 1 . 1 9 9 ARG HG2 H 1 1.583 0.04 . 2 . . . . A 9 ARG HG2 . 30725 1 88 . 1 . 1 9 9 ARG HG3 H 1 1.569 0.04 . 2 . . . . A 9 ARG HG3 . 30725 1 89 . 1 . 1 9 9 ARG HD2 H 1 3.270 0.04 . 2 . . . . A 9 ARG HD2 . 30725 1 90 . 1 . 1 9 9 ARG HD3 H 1 3.165 0.04 . 2 . . . . A 9 ARG HD3 . 30725 1 91 . 1 . 1 9 9 ARG C C 13 176.327 0.40 . 1 . . . . A 9 ARG C . 30725 1 92 . 1 . 1 9 9 ARG CA C 13 55.871 0.40 . 1 . . . . A 9 ARG CA . 30725 1 93 . 1 . 1 9 9 ARG CB C 13 30.953 0.40 . 1 . . . . A 9 ARG CB . 30725 1 94 . 1 . 1 9 9 ARG CG C 13 26.775 0.40 . 1 . . . . A 9 ARG CG . 30725 1 95 . 1 . 1 9 9 ARG CD C 13 43.337 0.40 . 1 . . . . A 9 ARG CD . 30725 1 96 . 1 . 1 9 9 ARG N N 15 120.734 0.40 . 1 . . . . A 9 ARG N . 30725 1 97 . 1 . 1 10 10 LYS H H 1 8.404 0.04 . 1 . . . . A 10 LYS H . 30725 1 98 . 1 . 1 10 10 LYS HA H 1 4.247 0.04 . 1 . . . . A 10 LYS HA . 30725 1 99 . 1 . 1 10 10 LYS HB2 H 1 1.762 0.04 . 2 . . . . A 10 LYS HB2 . 30725 1 100 . 1 . 1 10 10 LYS HB3 H 1 1.700 0.04 . 2 . . . . A 10 LYS HB3 . 30725 1 101 . 1 . 1 10 10 LYS HG2 H 1 1.408 0.04 . 2 . . . . A 10 LYS HG2 . 30725 1 102 . 1 . 1 10 10 LYS HG3 H 1 1.408 0.04 . 2 . . . . A 10 LYS HG3 . 30725 1 103 . 1 . 1 10 10 LYS HD2 H 1 1.643 0.04 . 2 . . . . A 10 LYS HD2 . 30725 1 104 . 1 . 1 10 10 LYS HD3 H 1 1.414 0.04 . 2 . . . . A 10 LYS HD3 . 30725 1 105 . 1 . 1 10 10 LYS HE2 H 1 2.947 0.04 . 2 . . . . A 10 LYS HE2 . 30725 1 106 . 1 . 1 10 10 LYS HE3 H 1 2.947 0.04 . 2 . . . . A 10 LYS HE3 . 30725 1 107 . 1 . 1 10 10 LYS C C 13 176.359 0.40 . 1 . . . . A 10 LYS C . 30725 1 108 . 1 . 1 10 10 LYS CA C 13 56.297 0.40 . 1 . . . . A 10 LYS CA . 30725 1 109 . 1 . 1 10 10 LYS CB C 13 33.016 0.40 . 1 . . . . A 10 LYS CB . 30725 1 110 . 1 . 1 10 10 LYS CG C 13 24.828 0.40 . 1 . . . . A 10 LYS CG . 30725 1 111 . 1 . 1 10 10 LYS CD C 13 29.066 0.40 . 1 . . . . A 10 LYS CD . 30725 1 112 . 1 . 1 10 10 LYS CE C 13 42.084 0.40 . 1 . . . . A 10 LYS CE . 30725 1 113 . 1 . 1 10 10 LYS N N 15 123.142 0.40 . 1 . . . . A 10 LYS N . 30725 1 114 . 1 . 1 11 11 ARG H H 1 8.312 0.04 . 1 . . . . A 11 ARG H . 30725 1 115 . 1 . 1 11 11 ARG HA H 1 4.559 0.04 . 1 . . . . A 11 ARG HA . 30725 1 116 . 1 . 1 11 11 ARG HB2 H 1 1.794 0.04 . 2 . . . . A 11 ARG HB2 . 30725 1 117 . 1 . 1 11 11 ARG HB3 H 1 1.794 0.04 . 2 . . . . A 11 ARG HB3 . 30725 1 118 . 1 . 1 11 11 ARG HG2 H 1 1.636 0.04 . 2 . . . . A 11 ARG HG2 . 30725 1 119 . 1 . 1 11 11 ARG HG3 H 1 1.636 0.04 . 2 . . . . A 11 ARG HG3 . 30725 1 120 . 1 . 1 11 11 ARG HD2 H 1 3.242 0.04 . 2 . . . . A 11 ARG HD2 . 30725 1 121 . 1 . 1 11 11 ARG HD3 H 1 3.242 0.04 . 2 . . . . A 11 ARG HD3 . 30725 1 122 . 1 . 1 11 11 ARG CA C 13 53.873 0.40 . 1 . . . . A 11 ARG CA . 30725 1 123 . 1 . 1 11 11 ARG CB C 13 30.336 0.40 . 1 . . . . A 11 ARG CB . 30725 1 124 . 1 . 1 11 11 ARG CG C 13 26.713 0.40 . 1 . . . . A 11 ARG CG . 30725 1 125 . 1 . 1 11 11 ARG CD C 13 43.575 0.40 . 1 . . . . A 11 ARG CD . 30725 1 126 . 1 . 1 11 11 ARG N N 15 123.812 0.40 . 1 . . . . A 11 ARG N . 30725 1 127 . 1 . 1 12 12 PRO HA H 1 4.608 0.04 . 1 . . . . A 12 PRO HA . 30725 1 128 . 1 . 1 12 12 PRO HB2 H 1 2.338 0.04 . 2 . . . . A 12 PRO HB2 . 30725 1 129 . 1 . 1 12 12 PRO HB3 H 1 2.037 0.04 . 2 . . . . A 12 PRO HB3 . 30725 1 130 . 1 . 1 12 12 PRO HG2 H 1 1.886 0.04 . 2 . . . . A 12 PRO HG2 . 30725 1 131 . 1 . 1 12 12 PRO HG3 H 1 1.790 0.04 . 2 . . . . A 12 PRO HG3 . 30725 1 132 . 1 . 1 12 12 PRO HD2 H 1 3.456 0.04 . 2 . . . . A 12 PRO HD2 . 30725 1 133 . 1 . 1 12 12 PRO HD3 H 1 3.456 0.04 . 2 . . . . A 12 PRO HD3 . 30725 1 134 . 1 . 1 12 12 PRO CA C 13 62.166 0.40 . 1 . . . . A 12 PRO CA . 30725 1 135 . 1 . 1 12 12 PRO CB C 13 34.423 0.40 . 1 . . . . A 12 PRO CB . 30725 1 136 . 1 . 1 12 12 PRO CG C 13 24.703 0.40 . 1 . . . . A 12 PRO CG . 30725 1 137 . 1 . 1 12 12 PRO CD C 13 50.306 0.40 . 1 . . . . A 12 PRO CD . 30725 1 138 . 1 . 1 13 13 LEU HA H 1 4.766 0.04 . 1 . . . . A 13 LEU HA . 30725 1 139 . 1 . 1 13 13 LEU HB2 H 1 1.416 0.04 . 2 . . . . A 13 LEU HB2 . 30725 1 140 . 1 . 1 13 13 LEU HB3 H 1 1.329 0.04 . 2 . . . . A 13 LEU HB3 . 30725 1 141 . 1 . 1 13 13 LEU HG H 1 1.087 0.04 . 1 . . . . A 13 LEU HG . 30725 1 142 . 1 . 1 13 13 LEU HD11 H 1 0.798 0.04 . 2 . . . . A 13 LEU HD11 . 30725 1 143 . 1 . 1 13 13 LEU HD12 H 1 0.798 0.04 . 2 . . . . A 13 LEU HD12 . 30725 1 144 . 1 . 1 13 13 LEU HD13 H 1 0.798 0.04 . 2 . . . . A 13 LEU HD13 . 30725 1 145 . 1 . 1 13 13 LEU HD21 H 1 0.797 0.04 . 2 . . . . A 13 LEU HD21 . 30725 1 146 . 1 . 1 13 13 LEU HD22 H 1 0.797 0.04 . 2 . . . . A 13 LEU HD22 . 30725 1 147 . 1 . 1 13 13 LEU HD23 H 1 0.797 0.04 . 2 . . . . A 13 LEU HD23 . 30725 1 148 . 1 . 1 13 13 LEU CA C 13 52.013 0.40 . 1 . . . . A 13 LEU CA . 30725 1 149 . 1 . 1 13 13 LEU CB C 13 43.113 0.40 . 1 . . . . A 13 LEU CB . 30725 1 150 . 1 . 1 13 13 LEU CG C 13 27.381 0.40 . 1 . . . . A 13 LEU CG . 30725 1 151 . 1 . 1 13 13 LEU CD1 C 13 25.067 0.40 . 2 . . . . A 13 LEU CD1 . 30725 1 152 . 1 . 1 13 13 LEU CD2 C 13 22.668 0.40 . 2 . . . . A 13 LEU CD2 . 30725 1 153 . 1 . 1 14 14 PRO HA H 1 4.343 0.04 . 1 . . . . A 14 PRO HA . 30725 1 154 . 1 . 1 14 14 PRO HB2 H 1 2.218 0.04 . 2 . . . . A 14 PRO HB2 . 30725 1 155 . 1 . 1 14 14 PRO HB3 H 1 1.823 0.04 . 2 . . . . A 14 PRO HB3 . 30725 1 156 . 1 . 1 14 14 PRO HG2 H 1 1.977 0.04 . 2 . . . . A 14 PRO HG2 . 30725 1 157 . 1 . 1 14 14 PRO HG3 H 1 1.977 0.04 . 2 . . . . A 14 PRO HG3 . 30725 1 158 . 1 . 1 14 14 PRO HD2 H 1 3.735 0.04 . 2 . . . . A 14 PRO HD2 . 30725 1 159 . 1 . 1 14 14 PRO HD3 H 1 3.599 0.04 . 2 . . . . A 14 PRO HD3 . 30725 1 160 . 1 . 1 14 14 PRO C C 13 176.347 0.40 . 1 . . . . A 14 PRO C . 30725 1 161 . 1 . 1 14 14 PRO CA C 13 62.925 0.40 . 1 . . . . A 14 PRO CA . 30725 1 162 . 1 . 1 14 14 PRO CB C 13 31.757 0.40 . 1 . . . . A 14 PRO CB . 30725 1 163 . 1 . 1 14 14 PRO CG C 13 27.372 0.40 . 1 . . . . A 14 PRO CG . 30725 1 164 . 1 . 1 14 14 PRO CD C 13 50.505 0.40 . 1 . . . . A 14 PRO CD . 30725 1 165 . 1 . 1 15 15 ALA H H 1 8.303 0.04 . 1 . . . . A 15 ALA H . 30725 1 166 . 1 . 1 15 15 ALA HA H 1 4.208 0.04 . 1 . . . . A 15 ALA HA . 30725 1 167 . 1 . 1 15 15 ALA HB1 H 1 1.299 0.04 . 1 . . . . A 15 ALA HB1 . 30725 1 168 . 1 . 1 15 15 ALA HB2 H 1 1.299 0.04 . 1 . . . . A 15 ALA HB2 . 30725 1 169 . 1 . 1 15 15 ALA HB3 H 1 1.299 0.04 . 1 . . . . A 15 ALA HB3 . 30725 1 170 . 1 . 1 15 15 ALA C C 13 176.966 0.40 . 1 . . . . A 15 ALA C . 30725 1 171 . 1 . 1 15 15 ALA CA C 13 52.162 0.40 . 1 . . . . A 15 ALA CA . 30725 1 172 . 1 . 1 15 15 ALA CB C 13 19.151 0.40 . 1 . . . . A 15 ALA CB . 30725 1 173 . 1 . 1 15 15 ALA N N 15 124.342 0.40 . 1 . . . . A 15 ALA N . 30725 1 174 . 1 . 1 16 16 CYS H H 1 8.283 0.04 . 1 . . . . A 16 CYS H . 30725 1 175 . 1 . 1 16 16 CYS HA H 1 4.770 0.04 . 1 . . . . A 16 CYS HA . 30725 1 176 . 1 . 1 16 16 CYS HB2 H 1 3.079 0.04 . 2 . . . . A 16 CYS HB2 . 30725 1 177 . 1 . 1 16 16 CYS HB3 H 1 2.739 0.04 . 2 . . . . A 16 CYS HB3 . 30725 1 178 . 1 . 1 16 16 CYS CA C 13 56.133 0.40 . 1 . . . . A 16 CYS CA . 30725 1 179 . 1 . 1 16 16 CYS CB C 13 28.102 0.40 . 1 . . . . A 16 CYS CB . 30725 1 180 . 1 . 1 16 16 CYS N N 15 120.282 0.40 . 1 . . . . A 16 CYS N . 30725 1 181 . 1 . 1 17 17 PRO HA H 1 4.329 0.04 . 1 . . . . A 17 PRO HA . 30725 1 182 . 1 . 1 17 17 PRO HB2 H 1 2.190 0.04 . 2 . . . . A 17 PRO HB2 . 30725 1 183 . 1 . 1 17 17 PRO HB3 H 1 2.190 0.04 . 2 . . . . A 17 PRO HB3 . 30725 1 184 . 1 . 1 17 17 PRO HG2 H 1 1.984 0.04 . 2 . . . . A 17 PRO HG2 . 30725 1 185 . 1 . 1 17 17 PRO HG3 H 1 1.954 0.04 . 2 . . . . A 17 PRO HG3 . 30725 1 186 . 1 . 1 17 17 PRO HD2 H 1 3.770 0.04 . 2 . . . . A 17 PRO HD2 . 30725 1 187 . 1 . 1 17 17 PRO HD3 H 1 3.587 0.04 . 2 . . . . A 17 PRO HD3 . 30725 1 188 . 1 . 1 17 17 PRO C C 13 175.374 0.40 . 1 . . . . A 17 PRO C . 30725 1 189 . 1 . 1 17 17 PRO CA C 13 62.973 0.40 . 1 . . . . A 17 PRO CA . 30725 1 190 . 1 . 1 17 17 PRO CB C 13 31.755 0.40 . 1 . . . . A 17 PRO CB . 30725 1 191 . 1 . 1 17 17 PRO CG C 13 27.551 0.40 . 1 . . . . A 17 PRO CG . 30725 1 192 . 1 . 1 17 17 PRO CD C 13 50.528 0.40 . 1 . . . . A 17 PRO CD . 30725 1 193 . 1 . 1 18 18 ASN H H 1 7.895 0.04 . 1 . . . . A 18 ASN H . 30725 1 194 . 1 . 1 18 18 ASN HD21 H 1 7.479 0.04 . 2 . . . . A 18 ASN HD21 . 30725 1 195 . 1 . 1 18 18 ASN HD22 H 1 6.876 0.04 . 2 . . . . A 18 ASN HD22 . 30725 1 196 . 1 . 1 18 18 ASN N N 15 121.451 0.40 . 1 . . . . A 18 ASN N . 30725 1 197 . 1 . 1 18 18 ASN ND2 N 15 111.997 0.40 . 1 . . . . A 18 ASN ND2 . 30725 1 198 . 1 . 1 19 19 PRO HA H 1 4.007 0.04 . 1 . . . . A 19 PRO HA . 30725 1 199 . 1 . 1 19 19 PRO HB2 H 1 2.144 0.04 . 2 . . . . A 19 PRO HB2 . 30725 1 200 . 1 . 1 19 19 PRO HB3 H 1 1.798 0.04 . 2 . . . . A 19 PRO HB3 . 30725 1 201 . 1 . 1 19 19 PRO HG2 H 1 1.979 0.04 . 2 . . . . A 19 PRO HG2 . 30725 1 202 . 1 . 1 19 19 PRO HG3 H 1 1.810 0.04 . 2 . . . . A 19 PRO HG3 . 30725 1 203 . 1 . 1 19 19 PRO HD2 H 1 3.713 0.04 . 2 . . . . A 19 PRO HD2 . 30725 1 204 . 1 . 1 19 19 PRO HD3 H 1 3.529 0.04 . 2 . . . . A 19 PRO HD3 . 30725 1 205 . 1 . 1 19 19 PRO C C 13 179.676 0.40 . 1 . . . . A 19 PRO C . 30725 1 206 . 1 . 1 19 19 PRO CA C 13 65.538 0.40 . 1 . . . . A 19 PRO CA . 30725 1 207 . 1 . 1 19 19 PRO CB C 13 31.536 0.40 . 1 . . . . A 19 PRO CB . 30725 1 208 . 1 . 1 19 19 PRO CG C 13 27.503 0.40 . 1 . . . . A 19 PRO CG . 30725 1 209 . 1 . 1 19 19 PRO CD C 13 50.555 0.40 . 1 . . . . A 19 PRO CD . 30725 1 210 . 1 . 1 20 20 LEU H H 1 7.853 0.04 . 1 . . . . A 20 LEU H . 30725 1 211 . 1 . 1 20 20 LEU HA H 1 3.309 0.04 . 1 . . . . A 20 LEU HA . 30725 1 212 . 1 . 1 20 20 LEU HB2 H 1 0.947 0.04 . 2 . . . . A 20 LEU HB2 . 30725 1 213 . 1 . 1 20 20 LEU HB3 H 1 -0.035 0.04 . 2 . . . . A 20 LEU HB3 . 30725 1 214 . 1 . 1 20 20 LEU HG H 1 0.628 0.04 . 1 . . . . A 20 LEU HG . 30725 1 215 . 1 . 1 20 20 LEU HD11 H 1 0.367 0.04 . 2 . . . . A 20 LEU HD11 . 30725 1 216 . 1 . 1 20 20 LEU HD12 H 1 0.367 0.04 . 2 . . . . A 20 LEU HD12 . 30725 1 217 . 1 . 1 20 20 LEU HD13 H 1 0.367 0.04 . 2 . . . . A 20 LEU HD13 . 30725 1 218 . 1 . 1 20 20 LEU HD21 H 1 0.270 0.04 . 2 . . . . A 20 LEU HD21 . 30725 1 219 . 1 . 1 20 20 LEU HD22 H 1 0.270 0.04 . 2 . . . . A 20 LEU HD22 . 30725 1 220 . 1 . 1 20 20 LEU HD23 H 1 0.270 0.04 . 2 . . . . A 20 LEU HD23 . 30725 1 221 . 1 . 1 20 20 LEU C C 13 176.604 0.40 . 1 . . . . A 20 LEU C . 30725 1 222 . 1 . 1 20 20 LEU CA C 13 57.287 0.40 . 1 . . . . A 20 LEU CA . 30725 1 223 . 1 . 1 20 20 LEU CB C 13 40.020 0.40 . 1 . . . . A 20 LEU CB . 30725 1 224 . 1 . 1 20 20 LEU CG C 13 25.842 0.40 . 1 . . . . A 20 LEU CG . 30725 1 225 . 1 . 1 20 20 LEU CD1 C 13 24.207 0.40 . 2 . . . . A 20 LEU CD1 . 30725 1 226 . 1 . 1 20 20 LEU CD2 C 13 22.682 0.40 . 2 . . . . A 20 LEU CD2 . 30725 1 227 . 1 . 1 20 20 LEU N N 15 119.976 0.40 . 1 . . . . A 20 LEU N . 30725 1 228 . 1 . 1 21 21 PHE H H 1 6.872 0.04 . 1 . . . . A 21 PHE H . 30725 1 229 . 1 . 1 21 21 PHE HA H 1 4.169 0.04 . 1 . . . . A 21 PHE HA . 30725 1 230 . 1 . 1 21 21 PHE HB2 H 1 3.052 0.04 . 2 . . . . A 21 PHE HB2 . 30725 1 231 . 1 . 1 21 21 PHE HB3 H 1 3.084 0.04 . 2 . . . . A 21 PHE HB3 . 30725 1 232 . 1 . 1 21 21 PHE HD1 H 1 6.960 0.04 . 3 . . . . A 21 PHE HD1 . 30725 1 233 . 1 . 1 21 21 PHE HD2 H 1 6.960 0.04 . 3 . . . . A 21 PHE HD2 . 30725 1 234 . 1 . 1 21 21 PHE HE1 H 1 7.308 0.04 . 3 . . . . A 21 PHE HE1 . 30725 1 235 . 1 . 1 21 21 PHE HE2 H 1 7.308 0.04 . 3 . . . . A 21 PHE HE2 . 30725 1 236 . 1 . 1 21 21 PHE HZ H 1 7.125 0.04 . 1 . . . . A 21 PHE HZ . 30725 1 237 . 1 . 1 21 21 PHE C C 13 177.948 0.40 . 1 . . . . A 21 PHE C . 30725 1 238 . 1 . 1 21 21 PHE CA C 13 57.334 0.40 . 1 . . . . A 21 PHE CA . 30725 1 239 . 1 . 1 21 21 PHE CB C 13 37.397 0.40 . 1 . . . . A 21 PHE CB . 30725 1 240 . 1 . 1 21 21 PHE CD1 C 13 130.117 0.40 . 3 . . . . A 21 PHE CD1 . 30725 1 241 . 1 . 1 21 21 PHE CE1 C 13 130.434 0.40 . 3 . . . . A 21 PHE CE1 . 30725 1 242 . 1 . 1 21 21 PHE CZ C 13 129.659 0.40 . 1 . . . . A 21 PHE CZ . 30725 1 243 . 1 . 1 21 21 PHE N N 15 114.437 0.40 . 1 . . . . A 21 PHE N . 30725 1 244 . 1 . 1 22 22 VAL H H 1 7.837 0.04 . 1 . . . . A 22 VAL H . 30725 1 245 . 1 . 1 22 22 VAL HA H 1 3.393 0.04 . 1 . . . . A 22 VAL HA . 30725 1 246 . 1 . 1 22 22 VAL HB H 1 1.894 0.04 . 1 . . . . A 22 VAL HB . 30725 1 247 . 1 . 1 22 22 VAL HG11 H 1 0.808 0.04 . 2 . . . . A 22 VAL HG11 . 30725 1 248 . 1 . 1 22 22 VAL HG12 H 1 0.808 0.04 . 2 . . . . A 22 VAL HG12 . 30725 1 249 . 1 . 1 22 22 VAL HG13 H 1 0.808 0.04 . 2 . . . . A 22 VAL HG13 . 30725 1 250 . 1 . 1 22 22 VAL HG21 H 1 0.927 0.04 . 2 . . . . A 22 VAL HG21 . 30725 1 251 . 1 . 1 22 22 VAL HG22 H 1 0.927 0.04 . 2 . . . . A 22 VAL HG22 . 30725 1 252 . 1 . 1 22 22 VAL HG23 H 1 0.927 0.04 . 2 . . . . A 22 VAL HG23 . 30725 1 253 . 1 . 1 22 22 VAL C C 13 178.412 0.40 . 1 . . . . A 22 VAL C . 30725 1 254 . 1 . 1 22 22 VAL CA C 13 67.252 0.40 . 1 . . . . A 22 VAL CA . 30725 1 255 . 1 . 1 22 22 VAL CB C 13 31.712 0.40 . 1 . . . . A 22 VAL CB . 30725 1 256 . 1 . 1 22 22 VAL CG1 C 13 21.167 0.40 . 2 . . . . A 22 VAL CG1 . 30725 1 257 . 1 . 1 22 22 VAL CG2 C 13 24.534 0.40 . 2 . . . . A 22 VAL CG2 . 30725 1 258 . 1 . 1 22 22 VAL N N 15 117.988 0.40 . 1 . . . . A 22 VAL N . 30725 1 259 . 1 . 1 23 23 ARG H H 1 7.722 0.04 . 1 . . . . A 23 ARG H . 30725 1 260 . 1 . 1 23 23 ARG HA H 1 3.868 0.04 . 1 . . . . A 23 ARG HA . 30725 1 261 . 1 . 1 23 23 ARG HB2 H 1 1.750 0.04 . 2 . . . . A 23 ARG HB2 . 30725 1 262 . 1 . 1 23 23 ARG HB3 H 1 1.595 0.04 . 2 . . . . A 23 ARG HB3 . 30725 1 263 . 1 . 1 23 23 ARG HG2 H 1 1.561 0.04 . 2 . . . . A 23 ARG HG2 . 30725 1 264 . 1 . 1 23 23 ARG HG3 H 1 1.427 0.04 . 2 . . . . A 23 ARG HG3 . 30725 1 265 . 1 . 1 23 23 ARG HD2 H 1 3.088 0.04 . 2 . . . . A 23 ARG HD2 . 30725 1 266 . 1 . 1 23 23 ARG HD3 H 1 3.022 0.04 . 2 . . . . A 23 ARG HD3 . 30725 1 267 . 1 . 1 23 23 ARG C C 13 178.638 0.40 . 1 . . . . A 23 ARG C . 30725 1 268 . 1 . 1 23 23 ARG CA C 13 59.748 0.40 . 1 . . . . A 23 ARG CA . 30725 1 269 . 1 . 1 23 23 ARG CB C 13 29.490 0.40 . 1 . . . . A 23 ARG CB . 30725 1 270 . 1 . 1 23 23 ARG CG C 13 26.611 0.40 . 1 . . . . A 23 ARG CG . 30725 1 271 . 1 . 1 23 23 ARG CD C 13 44.026 0.40 . 1 . . . . A 23 ARG CD . 30725 1 272 . 1 . 1 23 23 ARG N N 15 123.607 0.40 . 1 . . . . A 23 ARG N . 30725 1 273 . 1 . 1 24 24 TRP H H 1 8.127 0.04 . 1 . . . . A 24 TRP H . 30725 1 274 . 1 . 1 24 24 TRP HA H 1 3.995 0.04 . 1 . . . . A 24 TRP HA . 30725 1 275 . 1 . 1 24 24 TRP HB3 H 1 1.493 0.04 . 2 . . . . A 24 TRP HB3 . 30725 1 276 . 1 . 1 24 24 TRP HD1 H 1 6.704 0.04 . 1 . . . . A 24 TRP HD1 . 30725 1 277 . 1 . 1 24 24 TRP HE1 H 1 10.201 0.04 . 1 . . . . A 24 TRP HE1 . 30725 1 278 . 1 . 1 24 24 TRP HE3 H 1 7.056 0.04 . 1 . . . . A 24 TRP HE3 . 30725 1 279 . 1 . 1 24 24 TRP HZ2 H 1 6.934 0.04 . 1 . . . . A 24 TRP HZ2 . 30725 1 280 . 1 . 1 24 24 TRP HZ3 H 1 6.800 0.04 . 1 . . . . A 24 TRP HZ3 . 30725 1 281 . 1 . 1 24 24 TRP HH2 H 1 6.754 0.04 . 1 . . . . A 24 TRP HH2 . 30725 1 282 . 1 . 1 24 24 TRP C C 13 176.906 0.40 . 1 . . . . A 24 TRP C . 30725 1 283 . 1 . 1 24 24 TRP CA C 13 57.885 0.40 . 1 . . . . A 24 TRP CA . 30725 1 284 . 1 . 1 24 24 TRP CB C 13 27.923 0.40 . 1 . . . . A 24 TRP CB . 30725 1 285 . 1 . 1 24 24 TRP CD1 C 13 124.278 0.40 . 1 . . . . A 24 TRP CD1 . 30725 1 286 . 1 . 1 24 24 TRP CE3 C 13 119.655 0.40 . 1 . . . . A 24 TRP CE3 . 30725 1 287 . 1 . 1 24 24 TRP CZ2 C 13 114.476 0.40 . 1 . . . . A 24 TRP CZ2 . 30725 1 288 . 1 . 1 24 24 TRP CZ3 C 13 123.302 0.40 . 1 . . . . A 24 TRP CZ3 . 30725 1 289 . 1 . 1 24 24 TRP CH2 C 13 119.931 0.40 . 1 . . . . A 24 TRP CH2 . 30725 1 290 . 1 . 1 24 24 TRP N N 15 120.860 0.40 . 1 . . . . A 24 TRP N . 30725 1 291 . 1 . 1 24 24 TRP NE1 N 15 128.789 0.40 . 1 . . . . A 24 TRP NE1 . 30725 1 292 . 1 . 1 25 25 LEU H H 1 8.296 0.04 . 1 . . . . A 25 LEU H . 30725 1 293 . 1 . 1 25 25 LEU HA H 1 3.979 0.04 . 1 . . . . A 25 LEU HA . 30725 1 294 . 1 . 1 25 25 LEU HB2 H 1 2.027 0.04 . 2 . . . . A 25 LEU HB2 . 30725 1 295 . 1 . 1 25 25 LEU HB3 H 1 1.509 0.04 . 2 . . . . A 25 LEU HB3 . 30725 1 296 . 1 . 1 25 25 LEU HG H 1 1.556 0.04 . 1 . . . . A 25 LEU HG . 30725 1 297 . 1 . 1 25 25 LEU HD11 H 1 1.235 0.04 . 2 . . . . A 25 LEU HD11 . 30725 1 298 . 1 . 1 25 25 LEU HD12 H 1 1.235 0.04 . 2 . . . . A 25 LEU HD12 . 30725 1 299 . 1 . 1 25 25 LEU HD13 H 1 1.235 0.04 . 2 . . . . A 25 LEU HD13 . 30725 1 300 . 1 . 1 25 25 LEU C C 13 179.110 0.40 . 1 . . . . A 25 LEU C . 30725 1 301 . 1 . 1 25 25 LEU CA C 13 58.299 0.40 . 1 . . . . A 25 LEU CA . 30725 1 302 . 1 . 1 25 25 LEU CB C 13 42.317 0.40 . 1 . . . . A 25 LEU CB . 30725 1 303 . 1 . 1 25 25 LEU CG C 13 26.768 0.40 . 1 . . . . A 25 LEU CG . 30725 1 304 . 1 . 1 25 25 LEU CD1 C 13 25.379 0.40 . 2 . . . . A 25 LEU CD1 . 30725 1 305 . 1 . 1 25 25 LEU N N 15 116.507 0.40 . 1 . . . . A 25 LEU N . 30725 1 306 . 1 . 1 26 26 THR H H 1 7.996 0.04 . 1 . . . . A 26 THR H . 30725 1 307 . 1 . 1 26 26 THR HA H 1 4.323 0.04 . 1 . . . . A 26 THR HA . 30725 1 308 . 1 . 1 26 26 THR HB H 1 4.295 0.04 . 1 . . . . A 26 THR HB . 30725 1 309 . 1 . 1 26 26 THR HG21 H 1 1.143 0.04 . 1 . . . . A 26 THR HG21 . 30725 1 310 . 1 . 1 26 26 THR HG22 H 1 1.143 0.04 . 1 . . . . A 26 THR HG22 . 30725 1 311 . 1 . 1 26 26 THR HG23 H 1 1.143 0.04 . 1 . . . . A 26 THR HG23 . 30725 1 312 . 1 . 1 26 26 THR C C 13 175.153 0.40 . 1 . . . . A 26 THR C . 30725 1 313 . 1 . 1 26 26 THR CA C 13 68.473 0.40 . 1 . . . . A 26 THR CA . 30725 1 314 . 1 . 1 26 26 THR CB C 13 69.658 0.40 . 1 . . . . A 26 THR CB . 30725 1 315 . 1 . 1 26 26 THR CG2 C 13 20.952 0.40 . 1 . . . . A 26 THR CG2 . 30725 1 316 . 1 . 1 26 26 THR N N 15 116.117 0.40 . 1 . . . . A 26 THR N . 30725 1 317 . 1 . 1 27 27 GLU H H 1 8.002 0.04 . 1 . . . . A 27 GLU H . 30725 1 318 . 1 . 1 27 27 GLU HA H 1 3.992 0.04 . 1 . . . . A 27 GLU HA . 30725 1 319 . 1 . 1 27 27 GLU HB2 H 1 2.029 0.04 . 2 . . . . A 27 GLU HB2 . 30725 1 320 . 1 . 1 27 27 GLU HB3 H 1 1.893 0.04 . 2 . . . . A 27 GLU HB3 . 30725 1 321 . 1 . 1 27 27 GLU HG2 H 1 2.102 0.04 . 2 . . . . A 27 GLU HG2 . 30725 1 322 . 1 . 1 27 27 GLU HG3 H 1 2.446 0.04 . 2 . . . . A 27 GLU HG3 . 30725 1 323 . 1 . 1 27 27 GLU C C 13 180.413 0.40 . 1 . . . . A 27 GLU C . 30725 1 324 . 1 . 1 27 27 GLU CA C 13 59.453 0.40 . 1 . . . . A 27 GLU CA . 30725 1 325 . 1 . 1 27 27 GLU CB C 13 29.257 0.40 . 1 . . . . A 27 GLU CB . 30725 1 326 . 1 . 1 27 27 GLU CG C 13 36.089 0.40 . 1 . . . . A 27 GLU CG . 30725 1 327 . 1 . 1 27 27 GLU N N 15 122.728 0.40 . 1 . . . . A 27 GLU N . 30725 1 328 . 1 . 1 28 28 TRP H H 1 8.345 0.04 . 1 . . . . A 28 TRP H . 30725 1 329 . 1 . 1 28 28 TRP HA H 1 4.351 0.04 . 1 . . . . A 28 TRP HA . 30725 1 330 . 1 . 1 28 28 TRP HB2 H 1 2.393 0.04 . 2 . . . . A 28 TRP HB2 . 30725 1 331 . 1 . 1 28 28 TRP HD1 H 1 7.006 0.04 . 1 . . . . A 28 TRP HD1 . 30725 1 332 . 1 . 1 28 28 TRP HE1 H 1 9.846 0.04 . 1 . . . . A 28 TRP HE1 . 30725 1 333 . 1 . 1 28 28 TRP HE3 H 1 6.846 0.04 . 1 . . . . A 28 TRP HE3 . 30725 1 334 . 1 . 1 28 28 TRP HZ2 H 1 7.026 0.04 . 1 . . . . A 28 TRP HZ2 . 30725 1 335 . 1 . 1 28 28 TRP HZ3 H 1 6.619 0.04 . 1 . . . . A 28 TRP HZ3 . 30725 1 336 . 1 . 1 28 28 TRP C C 13 179.312 0.40 . 1 . . . . A 28 TRP C . 30725 1 337 . 1 . 1 28 28 TRP CA C 13 58.579 0.40 . 1 . . . . A 28 TRP CA . 30725 1 338 . 1 . 1 28 28 TRP CB C 13 26.451 0.40 . 1 . . . . A 28 TRP CB . 30725 1 339 . 1 . 1 28 28 TRP CD1 C 13 124.738 0.40 . 1 . . . . A 28 TRP CD1 . 30725 1 340 . 1 . 1 28 28 TRP CE3 C 13 120.285 0.40 . 1 . . . . A 28 TRP CE3 . 30725 1 341 . 1 . 1 28 28 TRP CZ2 C 13 113.100 0.40 . 1 . . . . A 28 TRP CZ2 . 30725 1 342 . 1 . 1 28 28 TRP CZ3 C 13 122.799 0.40 . 1 . . . . A 28 TRP CZ3 . 30725 1 343 . 1 . 1 28 28 TRP N N 15 120.736 0.40 . 1 . . . . A 28 TRP N . 30725 1 344 . 1 . 1 28 28 TRP NE1 N 15 127.812 0.40 . 1 . . . . A 28 TRP NE1 . 30725 1 345 . 1 . 1 29 29 ARG H H 1 8.743 0.04 . 1 . . . . A 29 ARG H . 30725 1 346 . 1 . 1 29 29 ARG HA H 1 3.882 0.04 . 1 . . . . A 29 ARG HA . 30725 1 347 . 1 . 1 29 29 ARG HB2 H 1 2.351 0.04 . 2 . . . . A 29 ARG HB2 . 30725 1 348 . 1 . 1 29 29 ARG HB3 H 1 2.351 0.04 . 2 . . . . A 29 ARG HB3 . 30725 1 349 . 1 . 1 29 29 ARG HG2 H 1 1.461 0.04 . 2 . . . . A 29 ARG HG2 . 30725 1 350 . 1 . 1 29 29 ARG HG3 H 1 1.461 0.04 . 2 . . . . A 29 ARG HG3 . 30725 1 351 . 1 . 1 29 29 ARG HD2 H 1 3.323 0.04 . 2 . . . . A 29 ARG HD2 . 30725 1 352 . 1 . 1 29 29 ARG HD3 H 1 3.014 0.04 . 2 . . . . A 29 ARG HD3 . 30725 1 353 . 1 . 1 29 29 ARG C C 13 179.175 0.40 . 1 . . . . A 29 ARG C . 30725 1 354 . 1 . 1 29 29 ARG CA C 13 60.525 0.40 . 1 . . . . A 29 ARG CA . 30725 1 355 . 1 . 1 29 29 ARG CB C 13 29.683 0.40 . 1 . . . . A 29 ARG CB . 30725 1 356 . 1 . 1 29 29 ARG CG C 13 26.155 0.40 . 1 . . . . A 29 ARG CG . 30725 1 357 . 1 . 1 29 29 ARG CD C 13 42.928 0.40 . 1 . . . . A 29 ARG CD . 30725 1 358 . 1 . 1 29 29 ARG N N 15 121.682 0.40 . 1 . . . . A 29 ARG N . 30725 1 359 . 1 . 1 30 30 ASP H H 1 9.114 0.04 . 1 . . . . A 30 ASP H . 30725 1 360 . 1 . 1 30 30 ASP HA H 1 4.386 0.04 . 1 . . . . A 30 ASP HA . 30725 1 361 . 1 . 1 30 30 ASP HB2 H 1 2.828 0.04 . 2 . . . . A 30 ASP HB2 . 30725 1 362 . 1 . 1 30 30 ASP HB3 H 1 2.670 0.04 . 2 . . . . A 30 ASP HB3 . 30725 1 363 . 1 . 1 30 30 ASP C C 13 178.789 0.40 . 1 . . . . A 30 ASP C . 30725 1 364 . 1 . 1 30 30 ASP CA C 13 57.919 0.40 . 1 . . . . A 30 ASP CA . 30725 1 365 . 1 . 1 30 30 ASP CB C 13 39.074 0.40 . 1 . . . . A 30 ASP CB . 30725 1 366 . 1 . 1 30 30 ASP N N 15 123.858 0.40 . 1 . . . . A 30 ASP N . 30725 1 367 . 1 . 1 31 31 GLU H H 1 8.478 0.04 . 1 . . . . A 31 GLU H . 30725 1 368 . 1 . 1 31 31 GLU HA H 1 4.021 0.04 . 1 . . . . A 31 GLU HA . 30725 1 369 . 1 . 1 31 31 GLU HB2 H 1 2.137 0.04 . 2 . . . . A 31 GLU HB2 . 30725 1 370 . 1 . 1 31 31 GLU HB3 H 1 2.137 0.04 . 2 . . . . A 31 GLU HB3 . 30725 1 371 . 1 . 1 31 31 GLU HG2 H 1 2.415 0.04 . 2 . . . . A 31 GLU HG2 . 30725 1 372 . 1 . 1 31 31 GLU HG3 H 1 2.275 0.04 . 2 . . . . A 31 GLU HG3 . 30725 1 373 . 1 . 1 31 31 GLU C C 13 178.779 0.40 . 1 . . . . A 31 GLU C . 30725 1 374 . 1 . 1 31 31 GLU CA C 13 59.803 0.40 . 1 . . . . A 31 GLU CA . 30725 1 375 . 1 . 1 31 31 GLU CB C 13 29.184 0.40 . 1 . . . . A 31 GLU CB . 30725 1 376 . 1 . 1 31 31 GLU CG C 13 36.136 0.40 . 1 . . . . A 31 GLU CG . 30725 1 377 . 1 . 1 31 31 GLU N N 15 122.798 0.40 . 1 . . . . A 31 GLU N . 30725 1 378 . 1 . 1 32 32 ALA H H 1 8.137 0.04 . 1 . . . . A 32 ALA H . 30725 1 379 . 1 . 1 32 32 ALA HA H 1 4.020 0.04 . 1 . . . . A 32 ALA HA . 30725 1 380 . 1 . 1 32 32 ALA HB1 H 1 1.567 0.04 . 1 . . . . A 32 ALA HB1 . 30725 1 381 . 1 . 1 32 32 ALA HB2 H 1 1.567 0.04 . 1 . . . . A 32 ALA HB2 . 30725 1 382 . 1 . 1 32 32 ALA HB3 H 1 1.567 0.04 . 1 . . . . A 32 ALA HB3 . 30725 1 383 . 1 . 1 32 32 ALA C C 13 179.169 0.40 . 1 . . . . A 32 ALA C . 30725 1 384 . 1 . 1 32 32 ALA CA C 13 54.783 0.40 . 1 . . . . A 32 ALA CA . 30725 1 385 . 1 . 1 32 32 ALA CB C 13 18.336 0.40 . 1 . . . . A 32 ALA CB . 30725 1 386 . 1 . 1 32 32 ALA N N 15 121.521 0.40 . 1 . . . . A 32 ALA N . 30725 1 387 . 1 . 1 33 33 THR H H 1 8.362 0.04 . 1 . . . . A 33 THR H . 30725 1 388 . 1 . 1 33 33 THR HA H 1 3.878 0.04 . 1 . . . . A 33 THR HA . 30725 1 389 . 1 . 1 33 33 THR HB H 1 4.418 0.04 . 1 . . . . A 33 THR HB . 30725 1 390 . 1 . 1 33 33 THR HG21 H 1 1.195 0.04 . 1 . . . . A 33 THR HG21 . 30725 1 391 . 1 . 1 33 33 THR HG22 H 1 1.195 0.04 . 1 . . . . A 33 THR HG22 . 30725 1 392 . 1 . 1 33 33 THR HG23 H 1 1.195 0.04 . 1 . . . . A 33 THR HG23 . 30725 1 393 . 1 . 1 33 33 THR C C 13 177.575 0.40 . 1 . . . . A 33 THR C . 30725 1 394 . 1 . 1 33 33 THR CA C 13 66.722 0.40 . 1 . . . . A 33 THR CA . 30725 1 395 . 1 . 1 33 33 THR CB C 13 68.603 0.40 . 1 . . . . A 33 THR CB . 30725 1 396 . 1 . 1 33 33 THR CG2 C 13 21.007 0.40 . 1 . . . . A 33 THR CG2 . 30725 1 397 . 1 . 1 33 33 THR N N 15 115.475 0.40 . 1 . . . . A 33 THR N . 30725 1 398 . 1 . 1 34 34 ARG H H 1 8.208 0.04 . 1 . . . . A 34 ARG H . 30725 1 399 . 1 . 1 34 34 ARG HA H 1 4.087 0.04 . 1 . . . . A 34 ARG HA . 30725 1 400 . 1 . 1 34 34 ARG HB2 H 1 1.975 0.04 . 2 . . . . A 34 ARG HB2 . 30725 1 401 . 1 . 1 34 34 ARG HB3 H 1 1.975 0.04 . 2 . . . . A 34 ARG HB3 . 30725 1 402 . 1 . 1 34 34 ARG HG2 H 1 1.564 0.04 . 2 . . . . A 34 ARG HG2 . 30725 1 403 . 1 . 1 34 34 ARG HG3 H 1 1.564 0.04 . 2 . . . . A 34 ARG HG3 . 30725 1 404 . 1 . 1 34 34 ARG HD2 H 1 3.234 0.04 . 2 . . . . A 34 ARG HD2 . 30725 1 405 . 1 . 1 34 34 ARG HD3 H 1 3.234 0.04 . 2 . . . . A 34 ARG HD3 . 30725 1 406 . 1 . 1 34 34 ARG C C 13 178.054 0.40 . 1 . . . . A 34 ARG C . 30725 1 407 . 1 . 1 34 34 ARG CA C 13 59.646 0.40 . 1 . . . . A 34 ARG CA . 30725 1 408 . 1 . 1 34 34 ARG CB C 13 30.302 0.40 . 1 . . . . A 34 ARG CB . 30725 1 409 . 1 . 1 34 34 ARG CG C 13 27.681 0.40 . 1 . . . . A 34 ARG CG . 30725 1 410 . 1 . 1 34 34 ARG CD C 13 43.398 0.40 . 1 . . . . A 34 ARG CD . 30725 1 411 . 1 . 1 34 34 ARG N N 15 123.846 0.40 . 1 . . . . A 34 ARG N . 30725 1 412 . 1 . 1 35 35 SER H H 1 7.810 0.04 . 1 . . . . A 35 SER H . 30725 1 413 . 1 . 1 35 35 SER HA H 1 4.445 0.04 . 1 . . . . A 35 SER HA . 30725 1 414 . 1 . 1 35 35 SER HB2 H 1 3.949 0.04 . 2 . . . . A 35 SER HB2 . 30725 1 415 . 1 . 1 35 35 SER HB3 H 1 3.883 0.04 . 2 . . . . A 35 SER HB3 . 30725 1 416 . 1 . 1 35 35 SER C C 13 172.616 0.40 . 1 . . . . A 35 SER C . 30725 1 417 . 1 . 1 35 35 SER CA C 13 58.604 0.40 . 1 . . . . A 35 SER CA . 30725 1 418 . 1 . 1 35 35 SER CB C 13 63.962 0.40 . 1 . . . . A 35 SER CB . 30725 1 419 . 1 . 1 35 35 SER N N 15 111.614 0.40 . 1 . . . . A 35 SER N . 30725 1 420 . 1 . 1 36 36 ARG H H 1 7.785 0.04 . 1 . . . . A 36 ARG H . 30725 1 421 . 1 . 1 36 36 ARG HA H 1 3.730 0.04 . 1 . . . . A 36 ARG HA . 30725 1 422 . 1 . 1 36 36 ARG HB2 H 1 1.946 0.04 . 2 . . . . A 36 ARG HB2 . 30725 1 423 . 1 . 1 36 36 ARG HB3 H 1 1.946 0.04 . 2 . . . . A 36 ARG HB3 . 30725 1 424 . 1 . 1 36 36 ARG HG2 H 1 1.551 0.04 . 2 . . . . A 36 ARG HG2 . 30725 1 425 . 1 . 1 36 36 ARG HG3 H 1 1.551 0.04 . 2 . . . . A 36 ARG HG3 . 30725 1 426 . 1 . 1 36 36 ARG HD2 H 1 3.224 0.04 . 2 . . . . A 36 ARG HD2 . 30725 1 427 . 1 . 1 36 36 ARG HD3 H 1 3.224 0.04 . 2 . . . . A 36 ARG HD3 . 30725 1 428 . 1 . 1 36 36 ARG C C 13 175.396 0.40 . 1 . . . . A 36 ARG C . 30725 1 429 . 1 . 1 36 36 ARG CA C 13 57.009 0.40 . 1 . . . . A 36 ARG CA . 30725 1 430 . 1 . 1 36 36 ARG CB C 13 27.047 0.40 . 1 . . . . A 36 ARG CB . 30725 1 431 . 1 . 1 36 36 ARG CG C 13 27.708 0.40 . 1 . . . . A 36 ARG CG . 30725 1 432 . 1 . 1 36 36 ARG CD C 13 43.371 0.40 . 1 . . . . A 36 ARG CD . 30725 1 433 . 1 . 1 36 36 ARG N N 15 118.588 0.40 . 1 . . . . A 36 ARG N . 30725 1 434 . 1 . 1 37 37 ARG H H 1 8.588 0.04 . 1 . . . . A 37 ARG H . 30725 1 435 . 1 . 1 37 37 ARG N N 15 117.640 0.40 . 1 . . . . A 37 ARG N . 30725 1 436 . 1 . 1 38 38 ARG HA H 1 4.743 0.04 . 1 . . . . A 38 ARG HA . 30725 1 437 . 1 . 1 38 38 ARG HB2 H 1 1.307 0.04 . 2 . . . . A 38 ARG HB2 . 30725 1 438 . 1 . 1 38 38 ARG HB3 H 1 1.307 0.04 . 2 . . . . A 38 ARG HB3 . 30725 1 439 . 1 . 1 38 38 ARG HG2 H 1 1.050 0.04 . 2 . . . . A 38 ARG HG2 . 30725 1 440 . 1 . 1 38 38 ARG HG3 H 1 1.050 0.04 . 2 . . . . A 38 ARG HG3 . 30725 1 441 . 1 . 1 38 38 ARG HD2 H 1 2.940 0.04 . 2 . . . . A 38 ARG HD2 . 30725 1 442 . 1 . 1 38 38 ARG HD3 H 1 2.783 0.04 . 2 . . . . A 38 ARG HD3 . 30725 1 443 . 1 . 1 38 38 ARG CA C 13 59.347 0.40 . 1 . . . . A 38 ARG CA . 30725 1 444 . 1 . 1 38 38 ARG CB C 13 28.784 0.40 . 1 . . . . A 38 ARG CB . 30725 1 445 . 1 . 1 38 38 ARG CG C 13 25.569 0.40 . 1 . . . . A 38 ARG CG . 30725 1 446 . 1 . 1 38 38 ARG CD C 13 44.355 0.40 . 1 . . . . A 38 ARG CD . 30725 1 447 . 1 . 1 39 39 THR HA H 1 3.823 0.04 . 1 . . . . A 39 THR HA . 30725 1 448 . 1 . 1 39 39 THR HB H 1 3.898 0.04 . 1 . . . . A 39 THR HB . 30725 1 449 . 1 . 1 39 39 THR HG21 H 1 1.108 0.04 . 1 . . . . A 39 THR HG21 . 30725 1 450 . 1 . 1 39 39 THR HG22 H 1 1.108 0.04 . 1 . . . . A 39 THR HG22 . 30725 1 451 . 1 . 1 39 39 THR HG23 H 1 1.108 0.04 . 1 . . . . A 39 THR HG23 . 30725 1 452 . 1 . 1 39 39 THR C C 13 175.807 0.40 . 1 . . . . A 39 THR C . 30725 1 453 . 1 . 1 39 39 THR CA C 13 62.743 0.40 . 1 . . . . A 39 THR CA . 30725 1 454 . 1 . 1 39 39 THR CB C 13 68.087 0.40 . 1 . . . . A 39 THR CB . 30725 1 455 . 1 . 1 39 39 THR CG2 C 13 23.168 0.40 . 1 . . . . A 39 THR CG2 . 30725 1 456 . 1 . 1 40 40 ARG H H 1 7.557 0.04 . 1 . . . . A 40 ARG H . 30725 1 457 . 1 . 1 40 40 ARG HA H 1 3.985 0.04 . 1 . . . . A 40 ARG HA . 30725 1 458 . 1 . 1 40 40 ARG HB2 H 1 1.798 0.04 . 2 . . . . A 40 ARG HB2 . 30725 1 459 . 1 . 1 40 40 ARG HB3 H 1 1.798 0.04 . 2 . . . . A 40 ARG HB3 . 30725 1 460 . 1 . 1 40 40 ARG HG2 H 1 1.516 0.04 . 2 . . . . A 40 ARG HG2 . 30725 1 461 . 1 . 1 40 40 ARG HG3 H 1 1.360 0.04 . 2 . . . . A 40 ARG HG3 . 30725 1 462 . 1 . 1 40 40 ARG HD2 H 1 2.993 0.04 . 2 . . . . A 40 ARG HD2 . 30725 1 463 . 1 . 1 40 40 ARG HD3 H 1 2.993 0.04 . 2 . . . . A 40 ARG HD3 . 30725 1 464 . 1 . 1 40 40 ARG C C 13 176.527 0.40 . 1 . . . . A 40 ARG C . 30725 1 465 . 1 . 1 40 40 ARG CA C 13 59.364 0.40 . 1 . . . . A 40 ARG CA . 30725 1 466 . 1 . 1 40 40 ARG CB C 13 32.014 0.40 . 1 . . . . A 40 ARG CB . 30725 1 467 . 1 . 1 40 40 ARG CG C 13 24.819 0.40 . 1 . . . . A 40 ARG CG . 30725 1 468 . 1 . 1 40 40 ARG CD C 13 42.091 0.40 . 1 . . . . A 40 ARG CD . 30725 1 469 . 1 . 1 40 40 ARG N N 15 119.760 0.40 . 1 . . . . A 40 ARG N . 30725 1 470 . 1 . 1 41 41 PHE H H 1 6.994 0.04 . 1 . . . . A 41 PHE H . 30725 1 471 . 1 . 1 41 41 PHE HA H 1 4.338 0.04 . 1 . . . . A 41 PHE HA . 30725 1 472 . 1 . 1 41 41 PHE HB2 H 1 3.217 0.04 . 2 . . . . A 41 PHE HB2 . 30725 1 473 . 1 . 1 41 41 PHE HB3 H 1 2.867 0.04 . 2 . . . . A 41 PHE HB3 . 30725 1 474 . 1 . 1 41 41 PHE HD1 H 1 7.373 0.04 . 3 . . . . A 41 PHE HD1 . 30725 1 475 . 1 . 1 41 41 PHE HD2 H 1 7.373 0.04 . 3 . . . . A 41 PHE HD2 . 30725 1 476 . 1 . 1 41 41 PHE HE1 H 1 7.028 0.04 . 3 . . . . A 41 PHE HE1 . 30725 1 477 . 1 . 1 41 41 PHE HE2 H 1 7.028 0.04 . 3 . . . . A 41 PHE HE2 . 30725 1 478 . 1 . 1 41 41 PHE HZ H 1 7.125 0.04 . 1 . . . . A 41 PHE HZ . 30725 1 479 . 1 . 1 41 41 PHE C C 13 177.732 0.40 . 1 . . . . A 41 PHE C . 30725 1 480 . 1 . 1 41 41 PHE CA C 13 60.437 0.40 . 1 . . . . A 41 PHE CA . 30725 1 481 . 1 . 1 41 41 PHE CB C 13 38.517 0.40 . 1 . . . . A 41 PHE CB . 30725 1 482 . 1 . 1 41 41 PHE CD1 C 13 131.498 0.40 . 3 . . . . A 41 PHE CD1 . 30725 1 483 . 1 . 1 41 41 PHE CE1 C 13 130.514 0.40 . 3 . . . . A 41 PHE CE1 . 30725 1 484 . 1 . 1 41 41 PHE CZ C 13 129.659 0.40 . 1 . . . . A 41 PHE CZ . 30725 1 485 . 1 . 1 41 41 PHE N N 15 117.342 0.40 . 1 . . . . A 41 PHE N . 30725 1 486 . 1 . 1 42 42 VAL H H 1 7.194 0.04 . 1 . . . . A 42 VAL H . 30725 1 487 . 1 . 1 42 42 VAL HA H 1 3.517 0.04 . 1 . . . . A 42 VAL HA . 30725 1 488 . 1 . 1 42 42 VAL HB H 1 2.242 0.04 . 1 . . . . A 42 VAL HB . 30725 1 489 . 1 . 1 42 42 VAL HG11 H 1 0.859 0.04 . 2 . . . . A 42 VAL HG11 . 30725 1 490 . 1 . 1 42 42 VAL HG12 H 1 0.859 0.04 . 2 . . . . A 42 VAL HG12 . 30725 1 491 . 1 . 1 42 42 VAL HG13 H 1 0.859 0.04 . 2 . . . . A 42 VAL HG13 . 30725 1 492 . 1 . 1 42 42 VAL HG21 H 1 0.599 0.04 . 2 . . . . A 42 VAL HG21 . 30725 1 493 . 1 . 1 42 42 VAL HG22 H 1 0.599 0.04 . 2 . . . . A 42 VAL HG22 . 30725 1 494 . 1 . 1 42 42 VAL HG23 H 1 0.599 0.04 . 2 . . . . A 42 VAL HG23 . 30725 1 495 . 1 . 1 42 42 VAL C C 13 178.788 0.40 . 1 . . . . A 42 VAL C . 30725 1 496 . 1 . 1 42 42 VAL CA C 13 65.361 0.40 . 1 . . . . A 42 VAL CA . 30725 1 497 . 1 . 1 42 42 VAL CB C 13 31.374 0.40 . 1 . . . . A 42 VAL CB . 30725 1 498 . 1 . 1 42 42 VAL CG1 C 13 21.868 0.40 . 2 . . . . A 42 VAL CG1 . 30725 1 499 . 1 . 1 42 42 VAL CG2 C 13 20.251 0.40 . 2 . . . . A 42 VAL CG2 . 30725 1 500 . 1 . 1 42 42 VAL N N 15 120.082 0.40 . 1 . . . . A 42 VAL N . 30725 1 501 . 1 . 1 43 43 PHE H H 1 7.254 0.04 . 1 . . . . A 43 PHE H . 30725 1 502 . 1 . 1 43 43 PHE HA H 1 4.363 0.04 . 1 . . . . A 43 PHE HA . 30725 1 503 . 1 . 1 43 43 PHE HB2 H 1 2.742 0.04 . 2 . . . . A 43 PHE HB2 . 30725 1 504 . 1 . 1 43 43 PHE HB3 H 1 3.421 0.04 . 2 . . . . A 43 PHE HB3 . 30725 1 505 . 1 . 1 43 43 PHE HD1 H 1 7.204 0.04 . 3 . . . . A 43 PHE HD1 . 30725 1 506 . 1 . 1 43 43 PHE HD2 H 1 7.204 0.04 . 3 . . . . A 43 PHE HD2 . 30725 1 507 . 1 . 1 43 43 PHE HE1 H 1 7.028 0.04 . 3 . . . . A 43 PHE HE1 . 30725 1 508 . 1 . 1 43 43 PHE HE2 H 1 7.028 0.04 . 3 . . . . A 43 PHE HE2 . 30725 1 509 . 1 . 1 43 43 PHE HZ H 1 6.866 0.04 . 1 . . . . A 43 PHE HZ . 30725 1 510 . 1 . 1 43 43 PHE C C 13 177.307 0.40 . 1 . . . . A 43 PHE C . 30725 1 511 . 1 . 1 43 43 PHE CA C 13 60.495 0.40 . 1 . . . . A 43 PHE CA . 30725 1 512 . 1 . 1 43 43 PHE CB C 13 38.465 0.40 . 1 . . . . A 43 PHE CB . 30725 1 513 . 1 . 1 43 43 PHE CD1 C 13 131.498 0.40 . 3 . . . . A 43 PHE CD1 . 30725 1 514 . 1 . 1 43 43 PHE CE1 C 13 130.514 0.40 . 3 . . . . A 43 PHE CE1 . 30725 1 515 . 1 . 1 43 43 PHE CZ C 13 129.352 0.40 . 1 . . . . A 43 PHE CZ . 30725 1 516 . 1 . 1 43 43 PHE N N 15 117.139 0.40 . 1 . . . . A 43 PHE N . 30725 1 517 . 1 . 1 44 44 GLN H H 1 8.099 0.04 . 1 . . . . A 44 GLN H . 30725 1 518 . 1 . 1 44 44 GLN HA H 1 4.119 0.04 . 1 . . . . A 44 GLN HA . 30725 1 519 . 1 . 1 44 44 GLN HB2 H 1 2.155 0.04 . 2 . . . . A 44 GLN HB2 . 30725 1 520 . 1 . 1 44 44 GLN HB3 H 1 2.203 0.04 . 2 . . . . A 44 GLN HB3 . 30725 1 521 . 1 . 1 44 44 GLN HG2 H 1 2.441 0.04 . 2 . . . . A 44 GLN HG2 . 30725 1 522 . 1 . 1 44 44 GLN HG3 H 1 2.441 0.04 . 2 . . . . A 44 GLN HG3 . 30725 1 523 . 1 . 1 44 44 GLN HE21 H 1 7.410 0.04 . 2 . . . . A 44 GLN HE21 . 30725 1 524 . 1 . 1 44 44 GLN HE22 H 1 6.842 0.04 . 2 . . . . A 44 GLN HE22 . 30725 1 525 . 1 . 1 44 44 GLN C C 13 178.410 0.40 . 1 . . . . A 44 GLN C . 30725 1 526 . 1 . 1 44 44 GLN CA C 13 59.276 0.40 . 1 . . . . A 44 GLN CA . 30725 1 527 . 1 . 1 44 44 GLN CB C 13 29.184 0.40 . 1 . . . . A 44 GLN CB . 30725 1 528 . 1 . 1 44 44 GLN CG C 13 33.176 0.40 . 1 . . . . A 44 GLN CG . 30725 1 529 . 1 . 1 44 44 GLN N N 15 117.386 0.40 . 1 . . . . A 44 GLN N . 30725 1 530 . 1 . 1 44 44 GLN NE2 N 15 112.171 0.40 . 1 . . . . A 44 GLN NE2 . 30725 1 531 . 1 . 1 45 45 LYS H H 1 7.814 0.04 . 1 . . . . A 45 LYS H . 30725 1 532 . 1 . 1 45 45 LYS HA H 1 3.838 0.04 . 1 . . . . A 45 LYS HA . 30725 1 533 . 1 . 1 45 45 LYS HB2 H 1 1.124 0.04 . 2 . . . . A 45 LYS HB2 . 30725 1 534 . 1 . 1 45 45 LYS HB3 H 1 1.552 0.04 . 2 . . . . A 45 LYS HB3 . 30725 1 535 . 1 . 1 45 45 LYS HG2 H 1 1.175 0.04 . 2 . . . . A 45 LYS HG2 . 30725 1 536 . 1 . 1 45 45 LYS HG3 H 1 1.175 0.04 . 2 . . . . A 45 LYS HG3 . 30725 1 537 . 1 . 1 45 45 LYS HD2 H 1 1.203 0.04 . 2 . . . . A 45 LYS HD2 . 30725 1 538 . 1 . 1 45 45 LYS HD3 H 1 1.203 0.04 . 2 . . . . A 45 LYS HD3 . 30725 1 539 . 1 . 1 45 45 LYS HE2 H 1 2.646 0.04 . 2 . . . . A 45 LYS HE2 . 30725 1 540 . 1 . 1 45 45 LYS HE3 H 1 2.646 0.04 . 2 . . . . A 45 LYS HE3 . 30725 1 541 . 1 . 1 45 45 LYS C C 13 178.846 0.40 . 1 . . . . A 45 LYS C . 30725 1 542 . 1 . 1 45 45 LYS CA C 13 60.103 0.40 . 1 . . . . A 45 LYS CA . 30725 1 543 . 1 . 1 45 45 LYS CB C 13 31.968 0.40 . 1 . . . . A 45 LYS CB . 30725 1 544 . 1 . 1 45 45 LYS CG C 13 25.774 0.40 . 1 . . . . A 45 LYS CG . 30725 1 545 . 1 . 1 45 45 LYS CD C 13 29.449 0.40 . 1 . . . . A 45 LYS CD . 30725 1 546 . 1 . 1 45 45 LYS CE C 13 41.818 0.40 . 1 . . . . A 45 LYS CE . 30725 1 547 . 1 . 1 45 45 LYS N N 15 118.851 0.40 . 1 . . . . A 45 LYS N . 30725 1 548 . 1 . 1 46 46 ALA H H 1 7.802 0.04 . 1 . . . . A 46 ALA H . 30725 1 549 . 1 . 1 46 46 ALA HA H 1 4.034 0.04 . 1 . . . . A 46 ALA HA . 30725 1 550 . 1 . 1 46 46 ALA HB1 H 1 0.962 0.04 . 1 . . . . A 46 ALA HB1 . 30725 1 551 . 1 . 1 46 46 ALA HB2 H 1 0.962 0.04 . 1 . . . . A 46 ALA HB2 . 30725 1 552 . 1 . 1 46 46 ALA HB3 H 1 0.962 0.04 . 1 . . . . A 46 ALA HB3 . 30725 1 553 . 1 . 1 46 46 ALA C C 13 178.866 0.40 . 1 . . . . A 46 ALA C . 30725 1 554 . 1 . 1 46 46 ALA CA C 13 54.885 0.40 . 1 . . . . A 46 ALA CA . 30725 1 555 . 1 . 1 46 46 ALA CB C 13 18.692 0.40 . 1 . . . . A 46 ALA CB . 30725 1 556 . 1 . 1 46 46 ALA N N 15 121.299 0.40 . 1 . . . . A 46 ALA N . 30725 1 557 . 1 . 1 47 47 LEU H H 1 8.295 0.04 . 1 . . . . A 47 LEU H . 30725 1 558 . 1 . 1 47 47 LEU HA H 1 4.013 0.04 . 1 . . . . A 47 LEU HA . 30725 1 559 . 1 . 1 47 47 LEU HB2 H 1 1.767 0.04 . 2 . . . . A 47 LEU HB2 . 30725 1 560 . 1 . 1 47 47 LEU HB3 H 1 1.868 0.04 . 2 . . . . A 47 LEU HB3 . 30725 1 561 . 1 . 1 47 47 LEU HG H 1 1.074 0.04 . 1 . . . . A 47 LEU HG . 30725 1 562 . 1 . 1 47 47 LEU HD11 H 1 0.951 0.04 . 2 . . . . A 47 LEU HD11 . 30725 1 563 . 1 . 1 47 47 LEU HD12 H 1 0.951 0.04 . 2 . . . . A 47 LEU HD12 . 30725 1 564 . 1 . 1 47 47 LEU HD13 H 1 0.951 0.04 . 2 . . . . A 47 LEU HD13 . 30725 1 565 . 1 . 1 47 47 LEU HD21 H 1 0.957 0.04 . 2 . . . . A 47 LEU HD21 . 30725 1 566 . 1 . 1 47 47 LEU HD22 H 1 0.957 0.04 . 2 . . . . A 47 LEU HD22 . 30725 1 567 . 1 . 1 47 47 LEU HD23 H 1 0.957 0.04 . 2 . . . . A 47 LEU HD23 . 30725 1 568 . 1 . 1 47 47 LEU C C 13 178.254 0.40 . 1 . . . . A 47 LEU C . 30725 1 569 . 1 . 1 47 47 LEU CA C 13 58.454 0.40 . 1 . . . . A 47 LEU CA . 30725 1 570 . 1 . 1 47 47 LEU CB C 13 42.192 0.40 . 1 . . . . A 47 LEU CB . 30725 1 571 . 1 . 1 47 47 LEU CG C 13 26.432 0.40 . 1 . . . . A 47 LEU CG . 30725 1 572 . 1 . 1 47 47 LEU CD1 C 13 26.427 0.40 . 2 . . . . A 47 LEU CD1 . 30725 1 573 . 1 . 1 47 47 LEU CD2 C 13 24.303 0.40 . 2 . . . . A 47 LEU CD2 . 30725 1 574 . 1 . 1 47 47 LEU N N 15 119.057 0.40 . 1 . . . . A 47 LEU N . 30725 1 575 . 1 . 1 48 48 ARG H H 1 7.632 0.04 . 1 . . . . A 48 ARG H . 30725 1 576 . 1 . 1 48 48 ARG HA H 1 4.031 0.04 . 1 . . . . A 48 ARG HA . 30725 1 577 . 1 . 1 48 48 ARG HB2 H 1 1.995 0.04 . 2 . . . . A 48 ARG HB2 . 30725 1 578 . 1 . 1 48 48 ARG HB3 H 1 1.995 0.04 . 2 . . . . A 48 ARG HB3 . 30725 1 579 . 1 . 1 48 48 ARG HG2 H 1 1.623 0.04 . 2 . . . . A 48 ARG HG2 . 30725 1 580 . 1 . 1 48 48 ARG HG3 H 1 1.623 0.04 . 2 . . . . A 48 ARG HG3 . 30725 1 581 . 1 . 1 48 48 ARG HD2 H 1 3.209 0.04 . 2 . . . . A 48 ARG HD2 . 30725 1 582 . 1 . 1 48 48 ARG HD3 H 1 3.209 0.04 . 2 . . . . A 48 ARG HD3 . 30725 1 583 . 1 . 1 48 48 ARG C C 13 179.114 0.40 . 1 . . . . A 48 ARG C . 30725 1 584 . 1 . 1 48 48 ARG CA C 13 59.748 0.40 . 1 . . . . A 48 ARG CA . 30725 1 585 . 1 . 1 48 48 ARG CB C 13 30.059 0.40 . 1 . . . . A 48 ARG CB . 30725 1 586 . 1 . 1 48 48 ARG CG C 13 27.081 0.40 . 1 . . . . A 48 ARG CG . 30725 1 587 . 1 . 1 48 48 ARG CD C 13 43.670 0.40 . 1 . . . . A 48 ARG CD . 30725 1 588 . 1 . 1 48 48 ARG N N 15 117.626 0.40 . 1 . . . . A 48 ARG N . 30725 1 589 . 1 . 1 49 49 SER H H 1 7.819 0.04 . 1 . . . . A 49 SER H . 30725 1 590 . 1 . 1 49 49 SER HA H 1 4.328 0.04 . 1 . . . . A 49 SER HA . 30725 1 591 . 1 . 1 49 49 SER HB2 H 1 4.295 0.04 . 2 . . . . A 49 SER HB2 . 30725 1 592 . 1 . 1 49 49 SER HB3 H 1 4.295 0.04 . 2 . . . . A 49 SER HB3 . 30725 1 593 . 1 . 1 49 49 SER C C 13 177.696 0.40 . 1 . . . . A 49 SER C . 30725 1 594 . 1 . 1 49 49 SER CA C 13 60.359 0.40 . 1 . . . . A 49 SER CA . 30725 1 595 . 1 . 1 49 49 SER CB C 13 63.848 0.40 . 1 . . . . A 49 SER CB . 30725 1 596 . 1 . 1 49 49 SER N N 15 113.566 0.40 . 1 . . . . A 49 SER N . 30725 1 597 . 1 . 1 50 50 LEU H H 1 8.991 0.04 . 1 . . . . A 50 LEU H . 30725 1 598 . 1 . 1 50 50 LEU HA H 1 4.183 0.04 . 1 . . . . A 50 LEU HA . 30725 1 599 . 1 . 1 50 50 LEU HB2 H 1 2.130 0.04 . 2 . . . . A 50 LEU HB2 . 30725 1 600 . 1 . 1 50 50 LEU HB3 H 1 2.130 0.04 . 2 . . . . A 50 LEU HB3 . 30725 1 601 . 1 . 1 50 50 LEU HG H 1 1.056 0.04 . 1 . . . . A 50 LEU HG . 30725 1 602 . 1 . 1 50 50 LEU HD11 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD11 . 30725 1 603 . 1 . 1 50 50 LEU HD12 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD12 . 30725 1 604 . 1 . 1 50 50 LEU HD13 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD13 . 30725 1 605 . 1 . 1 50 50 LEU HD21 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD21 . 30725 1 606 . 1 . 1 50 50 LEU HD22 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD22 . 30725 1 607 . 1 . 1 50 50 LEU HD23 H 1 0.940 0.04 . 2 . . . . A 50 LEU HD23 . 30725 1 608 . 1 . 1 50 50 LEU C C 13 179.780 0.40 . 1 . . . . A 50 LEU C . 30725 1 609 . 1 . 1 50 50 LEU CA C 13 57.815 0.40 . 1 . . . . A 50 LEU CA . 30725 1 610 . 1 . 1 50 50 LEU CB C 13 42.322 0.40 . 1 . . . . A 50 LEU CB . 30725 1 611 . 1 . 1 50 50 LEU CG C 13 28.800 0.40 . 1 . . . . A 50 LEU CG . 30725 1 612 . 1 . 1 50 50 LEU CD1 C 13 24.112 0.40 . 2 . . . . A 50 LEU CD1 . 30725 1 613 . 1 . 1 50 50 LEU CD2 C 13 24.112 0.40 . 2 . . . . A 50 LEU CD2 . 30725 1 614 . 1 . 1 50 50 LEU N N 15 121.719 0.40 . 1 . . . . A 50 LEU N . 30725 1 615 . 1 . 1 51 51 ARG H H 1 8.595 0.04 . 1 . . . . A 51 ARG H . 30725 1 616 . 1 . 1 51 51 ARG HA H 1 4.030 0.04 . 1 . . . . A 51 ARG HA . 30725 1 617 . 1 . 1 51 51 ARG HB2 H 1 1.929 0.04 . 2 . . . . A 51 ARG HB2 . 30725 1 618 . 1 . 1 51 51 ARG HB3 H 1 1.929 0.04 . 2 . . . . A 51 ARG HB3 . 30725 1 619 . 1 . 1 51 51 ARG HG2 H 1 1.648 0.04 . 2 . . . . A 51 ARG HG2 . 30725 1 620 . 1 . 1 51 51 ARG HG3 H 1 1.648 0.04 . 2 . . . . A 51 ARG HG3 . 30725 1 621 . 1 . 1 51 51 ARG HD2 H 1 3.230 0.04 . 2 . . . . A 51 ARG HD2 . 30725 1 622 . 1 . 1 51 51 ARG HD3 H 1 3.230 0.04 . 2 . . . . A 51 ARG HD3 . 30725 1 623 . 1 . 1 51 51 ARG C C 13 177.299 0.40 . 1 . . . . A 51 ARG C . 30725 1 624 . 1 . 1 51 51 ARG CA C 13 59.469 0.40 . 1 . . . . A 51 ARG CA . 30725 1 625 . 1 . 1 51 51 ARG CB C 13 30.374 0.40 . 1 . . . . A 51 ARG CB . 30725 1 626 . 1 . 1 51 51 ARG CG C 13 28.007 0.40 . 1 . . . . A 51 ARG CG . 30725 1 627 . 1 . 1 51 51 ARG CD C 13 43.752 0.40 . 1 . . . . A 51 ARG CD . 30725 1 628 . 1 . 1 51 51 ARG N N 15 117.728 0.40 . 1 . . . . A 51 ARG N . 30725 1 629 . 1 . 1 52 52 ARG H H 1 7.140 0.04 . 1 . . . . A 52 ARG H . 30725 1 630 . 1 . 1 52 52 ARG HA H 1 4.359 0.04 . 1 . . . . A 52 ARG HA . 30725 1 631 . 1 . 1 52 52 ARG HB2 H 1 2.047 0.04 . 2 . . . . A 52 ARG HB2 . 30725 1 632 . 1 . 1 52 52 ARG HB3 H 1 1.922 0.04 . 2 . . . . A 52 ARG HB3 . 30725 1 633 . 1 . 1 52 52 ARG HG2 H 1 1.605 0.04 . 2 . . . . A 52 ARG HG2 . 30725 1 634 . 1 . 1 52 52 ARG HG3 H 1 1.605 0.04 . 2 . . . . A 52 ARG HG3 . 30725 1 635 . 1 . 1 52 52 ARG HD2 H 1 3.243 0.04 . 2 . . . . A 52 ARG HD2 . 30725 1 636 . 1 . 1 52 52 ARG HD3 H 1 3.243 0.04 . 2 . . . . A 52 ARG HD3 . 30725 1 637 . 1 . 1 52 52 ARG C C 13 175.778 0.40 . 1 . . . . A 52 ARG C . 30725 1 638 . 1 . 1 52 52 ARG CA C 13 55.968 0.40 . 1 . . . . A 52 ARG CA . 30725 1 639 . 1 . 1 52 52 ARG CB C 13 31.132 0.40 . 1 . . . . A 52 ARG CB . 30725 1 640 . 1 . 1 52 52 ARG CG C 13 27.027 0.40 . 1 . . . . A 52 ARG CG . 30725 1 641 . 1 . 1 52 52 ARG CD C 13 43.556 0.40 . 1 . . . . A 52 ARG CD . 30725 1 642 . 1 . 1 52 52 ARG N N 15 114.416 0.40 . 1 . . . . A 52 ARG N . 30725 1 643 . 1 . 1 53 53 TYR H H 1 7.663 0.04 . 1 . . . . A 53 TYR H . 30725 1 644 . 1 . 1 53 53 TYR HA H 1 4.976 0.04 . 1 . . . . A 53 TYR HA . 30725 1 645 . 1 . 1 53 53 TYR HB2 H 1 3.155 0.04 . 2 . . . . A 53 TYR HB2 . 30725 1 646 . 1 . 1 53 53 TYR HB3 H 1 3.115 0.04 . 2 . . . . A 53 TYR HB3 . 30725 1 647 . 1 . 1 53 53 TYR HD1 H 1 7.254 0.04 . 3 . . . . A 53 TYR HD1 . 30725 1 648 . 1 . 1 53 53 TYR HD2 H 1 7.254 0.04 . 3 . . . . A 53 TYR HD2 . 30725 1 649 . 1 . 1 53 53 TYR HE1 H 1 6.637 0.04 . 3 . . . . A 53 TYR HE1 . 30725 1 650 . 1 . 1 53 53 TYR HE2 H 1 6.637 0.04 . 3 . . . . A 53 TYR HE2 . 30725 1 651 . 1 . 1 53 53 TYR CA C 13 55.847 0.40 . 1 . . . . A 53 TYR CA . 30725 1 652 . 1 . 1 53 53 TYR CB C 13 39.549 0.40 . 1 . . . . A 53 TYR CB . 30725 1 653 . 1 . 1 53 53 TYR CD1 C 13 133.564 0.40 . 3 . . . . A 53 TYR CD1 . 30725 1 654 . 1 . 1 53 53 TYR CE1 C 13 118.902 0.40 . 3 . . . . A 53 TYR CE1 . 30725 1 655 . 1 . 1 53 53 TYR N N 15 124.654 0.40 . 1 . . . . A 53 TYR N . 30725 1 656 . 1 . 1 54 54 PRO HA H 1 4.431 0.04 . 1 . . . . A 54 PRO HA . 30725 1 657 . 1 . 1 54 54 PRO HB2 H 1 1.986 0.04 . 2 . . . . A 54 PRO HB2 . 30725 1 658 . 1 . 1 54 54 PRO HB3 H 1 1.986 0.04 . 2 . . . . A 54 PRO HB3 . 30725 1 659 . 1 . 1 54 54 PRO HG2 H 1 1.425 0.04 . 2 . . . . A 54 PRO HG2 . 30725 1 660 . 1 . 1 54 54 PRO HG3 H 1 1.895 0.04 . 2 . . . . A 54 PRO HG3 . 30725 1 661 . 1 . 1 54 54 PRO HD2 H 1 3.871 0.04 . 2 . . . . A 54 PRO HD2 . 30725 1 662 . 1 . 1 54 54 PRO HD3 H 1 2.936 0.04 . 2 . . . . A 54 PRO HD3 . 30725 1 663 . 1 . 1 54 54 PRO C C 13 175.316 0.40 . 1 . . . . A 54 PRO C . 30725 1 664 . 1 . 1 54 54 PRO CA C 13 64.298 0.40 . 1 . . . . A 54 PRO CA . 30725 1 665 . 1 . 1 54 54 PRO CB C 13 32.483 0.40 . 1 . . . . A 54 PRO CB . 30725 1 666 . 1 . 1 54 54 PRO CG C 13 26.539 0.40 . 1 . . . . A 54 PRO CG . 30725 1 667 . 1 . 1 54 54 PRO CD C 13 50.934 0.40 . 1 . . . . A 54 PRO CD . 30725 1 668 . 1 . 1 55 55 LEU H H 1 5.641 0.04 . 1 . . . . A 55 LEU H . 30725 1 669 . 1 . 1 55 55 LEU HA H 1 4.665 0.04 . 1 . . . . A 55 LEU HA . 30725 1 670 . 1 . 1 55 55 LEU HB2 H 1 1.523 0.04 . 2 . . . . A 55 LEU HB2 . 30725 1 671 . 1 . 1 55 55 LEU HB3 H 1 1.266 0.04 . 2 . . . . A 55 LEU HB3 . 30725 1 672 . 1 . 1 55 55 LEU HG H 1 1.674 0.04 . 1 . . . . A 55 LEU HG . 30725 1 673 . 1 . 1 55 55 LEU HD11 H 1 0.592 0.04 . 2 . . . . A 55 LEU HD11 . 30725 1 674 . 1 . 1 55 55 LEU HD12 H 1 0.592 0.04 . 2 . . . . A 55 LEU HD12 . 30725 1 675 . 1 . 1 55 55 LEU HD13 H 1 0.592 0.04 . 2 . . . . A 55 LEU HD13 . 30725 1 676 . 1 . 1 55 55 LEU HD21 H 1 0.646 0.04 . 2 . . . . A 55 LEU HD21 . 30725 1 677 . 1 . 1 55 55 LEU HD22 H 1 0.646 0.04 . 2 . . . . A 55 LEU HD22 . 30725 1 678 . 1 . 1 55 55 LEU HD23 H 1 0.646 0.04 . 2 . . . . A 55 LEU HD23 . 30725 1 679 . 1 . 1 55 55 LEU CA C 13 53.518 0.40 . 1 . . . . A 55 LEU CA . 30725 1 680 . 1 . 1 55 55 LEU CB C 13 44.660 0.40 . 1 . . . . A 55 LEU CB . 30725 1 681 . 1 . 1 55 55 LEU CG C 13 26.318 0.40 . 1 . . . . A 55 LEU CG . 30725 1 682 . 1 . 1 55 55 LEU CD1 C 13 26.444 0.40 . 2 . . . . A 55 LEU CD1 . 30725 1 683 . 1 . 1 55 55 LEU CD2 C 13 23.773 0.40 . 2 . . . . A 55 LEU CD2 . 30725 1 684 . 1 . 1 55 55 LEU N N 15 119.207 0.40 . 1 . . . . A 55 LEU N . 30725 1 685 . 1 . 1 56 56 PRO HA H 1 4.243 0.04 . 1 . . . . A 56 PRO HA . 30725 1 686 . 1 . 1 56 56 PRO HB2 H 1 2.250 0.04 . 2 . . . . A 56 PRO HB2 . 30725 1 687 . 1 . 1 56 56 PRO HB3 H 1 1.733 0.04 . 2 . . . . A 56 PRO HB3 . 30725 1 688 . 1 . 1 56 56 PRO HG2 H 1 2.016 0.04 . 2 . . . . A 56 PRO HG2 . 30725 1 689 . 1 . 1 56 56 PRO HG3 H 1 2.016 0.04 . 2 . . . . A 56 PRO HG3 . 30725 1 690 . 1 . 1 56 56 PRO HD2 H 1 3.569 0.04 . 2 . . . . A 56 PRO HD2 . 30725 1 691 . 1 . 1 56 56 PRO HD3 H 1 3.597 0.04 . 2 . . . . A 56 PRO HD3 . 30725 1 692 . 1 . 1 56 56 PRO C C 13 176.723 0.40 . 1 . . . . A 56 PRO C . 30725 1 693 . 1 . 1 56 56 PRO CA C 13 62.719 0.40 . 1 . . . . A 56 PRO CA . 30725 1 694 . 1 . 1 56 56 PRO CB C 13 32.210 0.40 . 1 . . . . A 56 PRO CB . 30725 1 695 . 1 . 1 56 56 PRO CG C 13 27.367 0.40 . 1 . . . . A 56 PRO CG . 30725 1 696 . 1 . 1 56 56 PRO CD C 13 50.467 0.40 . 1 . . . . A 56 PRO CD . 30725 1 697 . 1 . 1 57 57 LEU H H 1 9.457 0.04 . 1 . . . . A 57 LEU H . 30725 1 698 . 1 . 1 57 57 LEU HA H 1 4.513 0.04 . 1 . . . . A 57 LEU HA . 30725 1 699 . 1 . 1 57 57 LEU HB2 H 1 1.529 0.04 . 2 . . . . A 57 LEU HB2 . 30725 1 700 . 1 . 1 57 57 LEU HB3 H 1 1.499 0.04 . 2 . . . . A 57 LEU HB3 . 30725 1 701 . 1 . 1 57 57 LEU HG H 1 1.662 0.04 . 1 . . . . A 57 LEU HG . 30725 1 702 . 1 . 1 57 57 LEU HD11 H 1 0.879 0.04 . 2 . . . . A 57 LEU HD11 . 30725 1 703 . 1 . 1 57 57 LEU HD12 H 1 0.879 0.04 . 2 . . . . A 57 LEU HD12 . 30725 1 704 . 1 . 1 57 57 LEU HD13 H 1 0.879 0.04 . 2 . . . . A 57 LEU HD13 . 30725 1 705 . 1 . 1 57 57 LEU HD21 H 1 0.881 0.04 . 2 . . . . A 57 LEU HD21 . 30725 1 706 . 1 . 1 57 57 LEU HD22 H 1 0.881 0.04 . 2 . . . . A 57 LEU HD22 . 30725 1 707 . 1 . 1 57 57 LEU HD23 H 1 0.881 0.04 . 2 . . . . A 57 LEU HD23 . 30725 1 708 . 1 . 1 57 57 LEU C C 13 177.155 0.40 . 1 . . . . A 57 LEU C . 30725 1 709 . 1 . 1 57 57 LEU CA C 13 53.013 0.40 . 1 . . . . A 57 LEU CA . 30725 1 710 . 1 . 1 57 57 LEU CB C 13 41.663 0.40 . 1 . . . . A 57 LEU CB . 30725 1 711 . 1 . 1 57 57 LEU CG C 13 26.931 0.40 . 1 . . . . A 57 LEU CG . 30725 1 712 . 1 . 1 57 57 LEU CD1 C 13 25.242 0.40 . 2 . . . . A 57 LEU CD1 . 30725 1 713 . 1 . 1 57 57 LEU CD2 C 13 23.436 0.40 . 2 . . . . A 57 LEU CD2 . 30725 1 714 . 1 . 1 57 57 LEU N N 15 126.418 0.40 . 1 . . . . A 57 LEU N . 30725 1 715 . 1 . 1 58 58 ARG H H 1 9.054 0.04 . 1 . . . . A 58 ARG H . 30725 1 716 . 1 . 1 58 58 ARG HA H 1 4.206 0.04 . 1 . . . . A 58 ARG HA . 30725 1 717 . 1 . 1 58 58 ARG HB2 H 1 1.957 0.04 . 2 . . . . A 58 ARG HB2 . 30725 1 718 . 1 . 1 58 58 ARG HB3 H 1 1.823 0.04 . 2 . . . . A 58 ARG HB3 . 30725 1 719 . 1 . 1 58 58 ARG HG2 H 1 1.572 0.04 . 2 . . . . A 58 ARG HG2 . 30725 1 720 . 1 . 1 58 58 ARG HG3 H 1 1.572 0.04 . 2 . . . . A 58 ARG HG3 . 30725 1 721 . 1 . 1 58 58 ARG HD2 H 1 3.242 0.04 . 2 . . . . A 58 ARG HD2 . 30725 1 722 . 1 . 1 58 58 ARG HD3 H 1 3.242 0.04 . 2 . . . . A 58 ARG HD3 . 30725 1 723 . 1 . 1 58 58 ARG C C 13 175.685 0.40 . 1 . . . . A 58 ARG C . 30725 1 724 . 1 . 1 58 58 ARG CA C 13 56.536 0.40 . 1 . . . . A 58 ARG CA . 30725 1 725 . 1 . 1 58 58 ARG CB C 13 30.878 0.40 . 1 . . . . A 58 ARG CB . 30725 1 726 . 1 . 1 58 58 ARG CG C 13 27.708 0.40 . 1 . . . . A 58 ARG CG . 30725 1 727 . 1 . 1 58 58 ARG CD C 13 43.344 0.40 . 1 . . . . A 58 ARG CD . 30725 1 728 . 1 . 1 58 58 ARG N N 15 120.372 0.40 . 1 . . . . A 58 ARG N . 30725 1 729 . 1 . 1 59 59 SER H H 1 7.570 0.04 . 1 . . . . A 59 SER H . 30725 1 730 . 1 . 1 59 59 SER HA H 1 4.586 0.04 . 1 . . . . A 59 SER HA . 30725 1 731 . 1 . 1 59 59 SER HB2 H 1 4.007 0.04 . 2 . . . . A 59 SER HB2 . 30725 1 732 . 1 . 1 59 59 SER HB3 H 1 4.007 0.04 . 2 . . . . A 59 SER HB3 . 30725 1 733 . 1 . 1 59 59 SER C C 13 173.855 0.40 . 1 . . . . A 59 SER C . 30725 1 734 . 1 . 1 59 59 SER CA C 13 56.904 0.40 . 1 . . . . A 59 SER CA . 30725 1 735 . 1 . 1 59 59 SER CB C 13 65.538 0.40 . 1 . . . . A 59 SER CB . 30725 1 736 . 1 . 1 59 59 SER N N 15 109.696 0.40 . 1 . . . . A 59 SER N . 30725 1 737 . 1 . 1 60 60 GLY H H 1 10.220 0.04 . 1 . . . . A 60 GLY H . 30725 1 738 . 1 . 1 60 60 GLY HA2 H 1 3.870 0.04 . 2 . . . . A 60 GLY HA2 . 30725 1 739 . 1 . 1 60 60 GLY HA3 H 1 3.703 0.04 . 2 . . . . A 60 GLY HA3 . 30725 1 740 . 1 . 1 60 60 GLY C C 13 176.198 0.40 . 1 . . . . A 60 GLY C . 30725 1 741 . 1 . 1 60 60 GLY CA C 13 47.535 0.40 . 1 . . . . A 60 GLY CA . 30725 1 742 . 1 . 1 60 60 GLY N N 15 110.473 0.40 . 1 . . . . A 60 GLY N . 30725 1 743 . 1 . 1 61 61 LYS H H 1 8.067 0.04 . 1 . . . . A 61 LYS H . 30725 1 744 . 1 . 1 61 61 LYS HA H 1 4.038 0.04 . 1 . . . . A 61 LYS HA . 30725 1 745 . 1 . 1 61 61 LYS HB2 H 1 1.890 0.04 . 2 . . . . A 61 LYS HB2 . 30725 1 746 . 1 . 1 61 61 LYS HB3 H 1 1.890 0.04 . 2 . . . . A 61 LYS HB3 . 30725 1 747 . 1 . 1 61 61 LYS HG2 H 1 1.532 0.04 . 2 . . . . A 61 LYS HG2 . 30725 1 748 . 1 . 1 61 61 LYS HG3 H 1 1.532 0.04 . 2 . . . . A 61 LYS HG3 . 30725 1 749 . 1 . 1 61 61 LYS HD2 H 1 1.688 0.04 . 2 . . . . A 61 LYS HD2 . 30725 1 750 . 1 . 1 61 61 LYS HD3 H 1 1.688 0.04 . 2 . . . . A 61 LYS HD3 . 30725 1 751 . 1 . 1 61 61 LYS HE2 H 1 2.976 0.04 . 2 . . . . A 61 LYS HE2 . 30725 1 752 . 1 . 1 61 61 LYS HE3 H 1 2.976 0.04 . 2 . . . . A 61 LYS HE3 . 30725 1 753 . 1 . 1 61 61 LYS C C 13 179.405 0.40 . 1 . . . . A 61 LYS C . 30725 1 754 . 1 . 1 61 61 LYS CA C 13 57.999 0.40 . 1 . . . . A 61 LYS CA . 30725 1 755 . 1 . 1 61 61 LYS CB C 13 32.284 0.40 . 1 . . . . A 61 LYS CB . 30725 1 756 . 1 . 1 61 61 LYS CG C 13 24.984 0.40 . 1 . . . . A 61 LYS CG . 30725 1 757 . 1 . 1 61 61 LYS CD C 13 29.124 0.40 . 1 . . . . A 61 LYS CD . 30725 1 758 . 1 . 1 61 61 LYS CE C 13 42.091 0.40 . 1 . . . . A 61 LYS CE . 30725 1 759 . 1 . 1 61 61 LYS N N 15 120.068 0.40 . 1 . . . . A 61 LYS N . 30725 1 760 . 1 . 1 62 62 GLU H H 1 7.661 0.04 . 1 . . . . A 62 GLU H . 30725 1 761 . 1 . 1 62 62 GLU HA H 1 3.933 0.04 . 1 . . . . A 62 GLU HA . 30725 1 762 . 1 . 1 62 62 GLU HB2 H 1 2.154 0.04 . 2 . . . . A 62 GLU HB2 . 30725 1 763 . 1 . 1 62 62 GLU HB3 H 1 2.016 0.04 . 2 . . . . A 62 GLU HB3 . 30725 1 764 . 1 . 1 62 62 GLU HG2 H 1 2.341 0.04 . 2 . . . . A 62 GLU HG2 . 30725 1 765 . 1 . 1 62 62 GLU HG3 H 1 2.341 0.04 . 2 . . . . A 62 GLU HG3 . 30725 1 766 . 1 . 1 62 62 GLU C C 13 177.023 0.40 . 1 . . . . A 62 GLU C . 30725 1 767 . 1 . 1 62 62 GLU CA C 13 58.442 0.40 . 1 . . . . A 62 GLU CA . 30725 1 768 . 1 . 1 62 62 GLU CB C 13 30.335 0.40 . 1 . . . . A 62 GLU CB . 30725 1 769 . 1 . 1 62 62 GLU CG C 13 37.420 0.40 . 1 . . . . A 62 GLU CG . 30725 1 770 . 1 . 1 62 62 GLU N N 15 118.421 0.40 . 1 . . . . A 62 GLU N . 30725 1 771 . 1 . 1 63 63 ALA H H 1 7.499 0.04 . 1 . . . . A 63 ALA H . 30725 1 772 . 1 . 1 63 63 ALA HA H 1 3.667 0.04 . 1 . . . . A 63 ALA HA . 30725 1 773 . 1 . 1 63 63 ALA HB1 H 1 1.113 0.04 . 1 . . . . A 63 ALA HB1 . 30725 1 774 . 1 . 1 63 63 ALA HB2 H 1 1.113 0.04 . 1 . . . . A 63 ALA HB2 . 30725 1 775 . 1 . 1 63 63 ALA HB3 H 1 1.113 0.04 . 1 . . . . A 63 ALA HB3 . 30725 1 776 . 1 . 1 63 63 ALA C C 13 175.437 0.40 . 1 . . . . A 63 ALA C . 30725 1 777 . 1 . 1 63 63 ALA CA C 13 52.937 0.40 . 1 . . . . A 63 ALA CA . 30725 1 778 . 1 . 1 63 63 ALA CB C 13 17.734 0.40 . 1 . . . . A 63 ALA CB . 30725 1 779 . 1 . 1 63 63 ALA N N 15 118.386 0.40 . 1 . . . . A 63 ALA N . 30725 1 780 . 1 . 1 64 64 LYS H H 1 7.130 0.04 . 1 . . . . A 64 LYS H . 30725 1 781 . 1 . 1 64 64 LYS HA H 1 4.039 0.04 . 1 . . . . A 64 LYS HA . 30725 1 782 . 1 . 1 64 64 LYS HB2 H 1 1.957 0.04 . 2 . . . . A 64 LYS HB2 . 30725 1 783 . 1 . 1 64 64 LYS HB3 H 1 1.867 0.04 . 2 . . . . A 64 LYS HB3 . 30725 1 784 . 1 . 1 64 64 LYS HG2 H 1 1.527 0.04 . 2 . . . . A 64 LYS HG2 . 30725 1 785 . 1 . 1 64 64 LYS HG3 H 1 1.651 0.04 . 2 . . . . A 64 LYS HG3 . 30725 1 786 . 1 . 1 64 64 LYS HD2 H 1 1.779 0.04 . 2 . . . . A 64 LYS HD2 . 30725 1 787 . 1 . 1 64 64 LYS HD3 H 1 1.779 0.04 . 2 . . . . A 64 LYS HD3 . 30725 1 788 . 1 . 1 64 64 LYS HE2 H 1 2.974 0.04 . 2 . . . . A 64 LYS HE2 . 30725 1 789 . 1 . 1 64 64 LYS HE3 H 1 2.608 0.04 . 2 . . . . A 64 LYS HE3 . 30725 1 790 . 1 . 1 64 64 LYS C C 13 176.320 0.40 . 1 . . . . A 64 LYS C . 30725 1 791 . 1 . 1 64 64 LYS CA C 13 57.991 0.40 . 1 . . . . A 64 LYS CA . 30725 1 792 . 1 . 1 64 64 LYS CB C 13 32.357 0.40 . 1 . . . . A 64 LYS CB . 30725 1 793 . 1 . 1 64 64 LYS CG C 13 25.063 0.40 . 1 . . . . A 64 LYS CG . 30725 1 794 . 1 . 1 64 64 LYS CD C 13 28.856 0.40 . 1 . . . . A 64 LYS CD . 30725 1 795 . 1 . 1 64 64 LYS CE C 13 42.023 0.40 . 1 . . . . A 64 LYS CE . 30725 1 796 . 1 . 1 64 64 LYS N N 15 116.829 0.40 . 1 . . . . A 64 LYS N . 30725 1 797 . 1 . 1 65 65 ILE H H 1 6.705 0.04 . 1 . . . . A 65 ILE H . 30725 1 798 . 1 . 1 65 65 ILE HA H 1 4.041 0.04 . 1 . . . . A 65 ILE HA . 30725 1 799 . 1 . 1 65 65 ILE HB H 1 1.907 0.04 . 1 . . . . A 65 ILE HB . 30725 1 800 . 1 . 1 65 65 ILE HG12 H 1 1.269 0.04 . 2 . . . . A 65 ILE HG12 . 30725 1 801 . 1 . 1 65 65 ILE HG13 H 1 1.126 0.04 . 2 . . . . A 65 ILE HG13 . 30725 1 802 . 1 . 1 65 65 ILE HG21 H 1 0.824 0.04 . 1 . . . . A 65 ILE HG21 . 30725 1 803 . 1 . 1 65 65 ILE HG22 H 1 0.824 0.04 . 1 . . . . A 65 ILE HG22 . 30725 1 804 . 1 . 1 65 65 ILE HG23 H 1 0.824 0.04 . 1 . . . . A 65 ILE HG23 . 30725 1 805 . 1 . 1 65 65 ILE HD11 H 1 0.782 0.04 . 1 . . . . A 65 ILE HD11 . 30725 1 806 . 1 . 1 65 65 ILE HD12 H 1 0.782 0.04 . 1 . . . . A 65 ILE HD12 . 30725 1 807 . 1 . 1 65 65 ILE HD13 H 1 0.782 0.04 . 1 . . . . A 65 ILE HD13 . 30725 1 808 . 1 . 1 65 65 ILE C C 13 176.162 0.40 . 1 . . . . A 65 ILE C . 30725 1 809 . 1 . 1 65 65 ILE CA C 13 61.832 0.40 . 1 . . . . A 65 ILE CA . 30725 1 810 . 1 . 1 65 65 ILE CB C 13 38.443 0.40 . 1 . . . . A 65 ILE CB . 30725 1 811 . 1 . 1 65 65 ILE CG1 C 13 26.639 0.40 . 1 . . . . A 65 ILE CG1 . 30725 1 812 . 1 . 1 65 65 ILE CG2 C 13 17.830 0.40 . 1 . . . . A 65 ILE CG2 . 30725 1 813 . 1 . 1 65 65 ILE CD1 C 13 14.097 0.40 . 1 . . . . A 65 ILE CD1 . 30725 1 814 . 1 . 1 65 65 ILE N N 15 111.545 0.40 . 1 . . . . A 65 ILE N . 30725 1 815 . 1 . 1 66 66 LEU H H 1 7.821 0.04 . 1 . . . . A 66 LEU H . 30725 1 816 . 1 . 1 66 66 LEU HA H 1 4.167 0.04 . 1 . . . . A 66 LEU HA . 30725 1 817 . 1 . 1 66 66 LEU HB2 H 1 1.655 0.04 . 2 . . . . A 66 LEU HB2 . 30725 1 818 . 1 . 1 66 66 LEU HB3 H 1 1.122 0.04 . 2 . . . . A 66 LEU HB3 . 30725 1 819 . 1 . 1 66 66 LEU HG H 1 1.028 0.04 . 1 . . . . A 66 LEU HG . 30725 1 820 . 1 . 1 66 66 LEU HD11 H 1 0.031 0.04 . 2 . . . . A 66 LEU HD11 . 30725 1 821 . 1 . 1 66 66 LEU HD12 H 1 0.031 0.04 . 2 . . . . A 66 LEU HD12 . 30725 1 822 . 1 . 1 66 66 LEU HD13 H 1 0.031 0.04 . 2 . . . . A 66 LEU HD13 . 30725 1 823 . 1 . 1 66 66 LEU HD21 H 1 0.206 0.04 . 2 . . . . A 66 LEU HD21 . 30725 1 824 . 1 . 1 66 66 LEU HD22 H 1 0.206 0.04 . 2 . . . . A 66 LEU HD22 . 30725 1 825 . 1 . 1 66 66 LEU HD23 H 1 0.206 0.04 . 2 . . . . A 66 LEU HD23 . 30725 1 826 . 1 . 1 66 66 LEU C C 13 177.309 0.40 . 1 . . . . A 66 LEU C . 30725 1 827 . 1 . 1 66 66 LEU CA C 13 54.187 0.40 . 1 . . . . A 66 LEU CA . 30725 1 828 . 1 . 1 66 66 LEU CB C 13 42.385 0.40 . 1 . . . . A 66 LEU CB . 30725 1 829 . 1 . 1 66 66 LEU CG C 13 27.735 0.40 . 1 . . . . A 66 LEU CG . 30725 1 830 . 1 . 1 66 66 LEU CD1 C 13 25.295 0.40 . 2 . . . . A 66 LEU CD1 . 30725 1 831 . 1 . 1 66 66 LEU CD2 C 13 23.120 0.40 . 2 . . . . A 66 LEU CD2 . 30725 1 832 . 1 . 1 66 66 LEU N N 15 123.861 0.40 . 1 . . . . A 66 LEU N . 30725 1 833 . 1 . 1 67 67 GLN H H 1 8.595 0.04 . 1 . . . . A 67 GLN H . 30725 1 834 . 1 . 1 67 67 GLN HA H 1 3.861 0.04 . 1 . . . . A 67 GLN HA . 30725 1 835 . 1 . 1 67 67 GLN HB2 H 1 1.797 0.04 . 2 . . . . A 67 GLN HB2 . 30725 1 836 . 1 . 1 67 67 GLN HB3 H 1 1.491 0.04 . 2 . . . . A 67 GLN HB3 . 30725 1 837 . 1 . 1 67 67 GLN HG2 H 1 2.142 0.04 . 2 . . . . A 67 GLN HG2 . 30725 1 838 . 1 . 1 67 67 GLN HG3 H 1 1.681 0.04 . 2 . . . . A 67 GLN HG3 . 30725 1 839 . 1 . 1 67 67 GLN HE21 H 1 7.386 0.04 . 2 . . . . A 67 GLN HE21 . 30725 1 840 . 1 . 1 67 67 GLN HE22 H 1 6.927 0.04 . 2 . . . . A 67 GLN HE22 . 30725 1 841 . 1 . 1 67 67 GLN C C 13 177.351 0.40 . 1 . . . . A 67 GLN C . 30725 1 842 . 1 . 1 67 67 GLN CA C 13 57.223 0.40 . 1 . . . . A 67 GLN CA . 30725 1 843 . 1 . 1 67 67 GLN CB C 13 28.517 0.40 . 1 . . . . A 67 GLN CB . 30725 1 844 . 1 . 1 67 67 GLN CG C 13 33.501 0.40 . 1 . . . . A 67 GLN CG . 30725 1 845 . 1 . 1 67 67 GLN N N 15 121.833 0.40 . 1 . . . . A 67 GLN N . 30725 1 846 . 1 . 1 67 67 GLN NE2 N 15 111.461 0.40 . 1 . . . . A 67 GLN NE2 . 30725 1 847 . 1 . 1 68 68 HIS H H 1 8.613 0.04 . 1 . . . . A 68 HIS H . 30725 1 848 . 1 . 1 68 68 HIS HA H 1 4.199 0.04 . 1 . . . . A 68 HIS HA . 30725 1 849 . 1 . 1 68 68 HIS HB2 H 1 3.432 0.04 . 2 . . . . A 68 HIS HB2 . 30725 1 850 . 1 . 1 68 68 HIS HB3 H 1 3.104 0.04 . 2 . . . . A 68 HIS HB3 . 30725 1 851 . 1 . 1 68 68 HIS HD2 H 1 7.910 0.04 . 1 . . . . A 68 HIS HD2 . 30725 1 852 . 1 . 1 68 68 HIS C C 13 174.315 0.40 . 1 . . . . A 68 HIS C . 30725 1 853 . 1 . 1 68 68 HIS CA C 13 58.239 0.40 . 1 . . . . A 68 HIS CA . 30725 1 854 . 1 . 1 68 68 HIS CB C 13 27.645 0.40 . 1 . . . . A 68 HIS CB . 30725 1 855 . 1 . 1 68 68 HIS CD2 C 13 113.100 0.40 . 1 . . . . A 68 HIS CD2 . 30725 1 856 . 1 . 1 68 68 HIS N N 15 114.268 0.40 . 1 . . . . A 68 HIS N . 30725 1 857 . 1 . 1 69 69 PHE H H 1 7.700 0.04 . 1 . . . . A 69 PHE H . 30725 1 858 . 1 . 1 69 69 PHE HA H 1 4.471 0.04 . 1 . . . . A 69 PHE HA . 30725 1 859 . 1 . 1 69 69 PHE HB2 H 1 3.235 0.04 . 2 . . . . A 69 PHE HB2 . 30725 1 860 . 1 . 1 69 69 PHE HB3 H 1 2.595 0.04 . 2 . . . . A 69 PHE HB3 . 30725 1 861 . 1 . 1 69 69 PHE HD1 H 1 7.264 0.04 . 3 . . . . A 69 PHE HD1 . 30725 1 862 . 1 . 1 69 69 PHE HD2 H 1 7.264 0.04 . 3 . . . . A 69 PHE HD2 . 30725 1 863 . 1 . 1 69 69 PHE HE1 H 1 7.129 0.04 . 3 . . . . A 69 PHE HE1 . 30725 1 864 . 1 . 1 69 69 PHE HE2 H 1 7.129 0.04 . 3 . . . . A 69 PHE HE2 . 30725 1 865 . 1 . 1 69 69 PHE HZ H 1 6.807 0.04 . 1 . . . . A 69 PHE HZ . 30725 1 866 . 1 . 1 69 69 PHE C C 13 175.407 0.40 . 1 . . . . A 69 PHE C . 30725 1 867 . 1 . 1 69 69 PHE CA C 13 57.824 0.40 . 1 . . . . A 69 PHE CA . 30725 1 868 . 1 . 1 69 69 PHE CB C 13 39.063 0.40 . 1 . . . . A 69 PHE CB . 30725 1 869 . 1 . 1 69 69 PHE CD1 C 13 130.497 0.40 . 3 . . . . A 69 PHE CD1 . 30725 1 870 . 1 . 1 69 69 PHE CE1 C 13 132.091 0.40 . 3 . . . . A 69 PHE CE1 . 30725 1 871 . 1 . 1 69 69 PHE CZ C 13 128.663 0.40 . 1 . . . . A 69 PHE CZ . 30725 1 872 . 1 . 1 69 69 PHE N N 15 121.046 0.40 . 1 . . . . A 69 PHE N . 30725 1 873 . 1 . 1 70 70 GLY H H 1 7.654 0.04 . 1 . . . . A 70 GLY H . 30725 1 874 . 1 . 1 70 70 GLY HA2 H 1 4.267 0.04 . 2 . . . . A 70 GLY HA2 . 30725 1 875 . 1 . 1 70 70 GLY HA3 H 1 3.868 0.04 . 2 . . . . A 70 GLY HA3 . 30725 1 876 . 1 . 1 70 70 GLY CA C 13 44.194 0.40 . 1 . . . . A 70 GLY CA . 30725 1 877 . 1 . 1 70 70 GLY N N 15 109.095 0.40 . 1 . . . . A 70 GLY N . 30725 1 878 . 1 . 1 71 71 ASP HA H 1 4.218 0.04 . 1 . . . . A 71 ASP HA . 30725 1 879 . 1 . 1 71 71 ASP HB2 H 1 2.592 0.04 . 2 . . . . A 71 ASP HB2 . 30725 1 880 . 1 . 1 71 71 ASP HB3 H 1 2.592 0.04 . 2 . . . . A 71 ASP HB3 . 30725 1 881 . 1 . 1 71 71 ASP CA C 13 58.352 0.40 . 1 . . . . A 71 ASP CA . 30725 1 882 . 1 . 1 71 71 ASP CB C 13 41.148 0.40 . 1 . . . . A 71 ASP CB . 30725 1 883 . 1 . 1 72 72 GLY HA2 H 1 3.806 0.04 . 2 . . . . A 72 GLY HA2 . 30725 1 884 . 1 . 1 72 72 GLY HA3 H 1 3.671 0.04 . 2 . . . . A 72 GLY HA3 . 30725 1 885 . 1 . 1 72 72 GLY C C 13 176.156 0.40 . 1 . . . . A 72 GLY C . 30725 1 886 . 1 . 1 72 72 GLY CA C 13 47.145 0.40 . 1 . . . . A 72 GLY CA . 30725 1 887 . 1 . 1 73 73 LEU H H 1 7.709 0.04 . 1 . . . . A 73 LEU H . 30725 1 888 . 1 . 1 73 73 LEU HA H 1 4.129 0.04 . 1 . . . . A 73 LEU HA . 30725 1 889 . 1 . 1 73 73 LEU HB2 H 1 1.656 0.04 . 2 . . . . A 73 LEU HB2 . 30725 1 890 . 1 . 1 73 73 LEU HB3 H 1 1.460 0.04 . 2 . . . . A 73 LEU HB3 . 30725 1 891 . 1 . 1 73 73 LEU HG H 1 1.539 0.04 . 1 . . . . A 73 LEU HG . 30725 1 892 . 1 . 1 73 73 LEU HD11 H 1 0.504 0.04 . 2 . . . . A 73 LEU HD11 . 30725 1 893 . 1 . 1 73 73 LEU HD12 H 1 0.504 0.04 . 2 . . . . A 73 LEU HD12 . 30725 1 894 . 1 . 1 73 73 LEU HD13 H 1 0.504 0.04 . 2 . . . . A 73 LEU HD13 . 30725 1 895 . 1 . 1 73 73 LEU HD21 H 1 0.890 0.04 . 2 . . . . A 73 LEU HD21 . 30725 1 896 . 1 . 1 73 73 LEU HD22 H 1 0.890 0.04 . 2 . . . . A 73 LEU HD22 . 30725 1 897 . 1 . 1 73 73 LEU HD23 H 1 0.890 0.04 . 2 . . . . A 73 LEU HD23 . 30725 1 898 . 1 . 1 73 73 LEU C C 13 178.792 0.40 . 1 . . . . A 73 LEU C . 30725 1 899 . 1 . 1 73 73 LEU CA C 13 57.477 0.40 . 1 . . . . A 73 LEU CA . 30725 1 900 . 1 . 1 73 73 LEU CB C 13 42.347 0.40 . 1 . . . . A 73 LEU CB . 30725 1 901 . 1 . 1 73 73 LEU CG C 13 27.326 0.40 . 1 . . . . A 73 LEU CG . 30725 1 902 . 1 . 1 73 73 LEU CD1 C 13 26.386 0.40 . 2 . . . . A 73 LEU CD1 . 30725 1 903 . 1 . 1 73 73 LEU CD2 C 13 25.011 0.40 . 2 . . . . A 73 LEU CD2 . 30725 1 904 . 1 . 1 73 73 LEU N N 15 124.698 0.40 . 1 . . . . A 73 LEU N . 30725 1 905 . 1 . 1 74 74 CYS H H 1 8.099 0.04 . 1 . . . . A 74 CYS H . 30725 1 906 . 1 . 1 74 74 CYS HA H 1 3.871 0.04 . 1 . . . . A 74 CYS HA . 30725 1 907 . 1 . 1 74 74 CYS HB2 H 1 2.979 0.04 . 2 . . . . A 74 CYS HB2 . 30725 1 908 . 1 . 1 74 74 CYS HB3 H 1 2.576 0.04 . 2 . . . . A 74 CYS HB3 . 30725 1 909 . 1 . 1 74 74 CYS C C 13 176.812 0.40 . 1 . . . . A 74 CYS C . 30725 1 910 . 1 . 1 74 74 CYS CA C 13 65.133 0.40 . 1 . . . . A 74 CYS CA . 30725 1 911 . 1 . 1 74 74 CYS CB C 13 27.115 0.40 . 1 . . . . A 74 CYS CB . 30725 1 912 . 1 . 1 74 74 CYS N N 15 117.386 0.40 . 1 . . . . A 74 CYS N . 30725 1 913 . 1 . 1 75 75 ARG H H 1 8.029 0.04 . 1 . . . . A 75 ARG H . 30725 1 914 . 1 . 1 75 75 ARG HA H 1 4.182 0.04 . 1 . . . . A 75 ARG HA . 30725 1 915 . 1 . 1 75 75 ARG HB2 H 1 1.882 0.04 . 2 . . . . A 75 ARG HB2 . 30725 1 916 . 1 . 1 75 75 ARG HB3 H 1 1.882 0.04 . 2 . . . . A 75 ARG HB3 . 30725 1 917 . 1 . 1 75 75 ARG HG2 H 1 1.674 0.04 . 2 . . . . A 75 ARG HG2 . 30725 1 918 . 1 . 1 75 75 ARG HG3 H 1 1.755 0.04 . 2 . . . . A 75 ARG HG3 . 30725 1 919 . 1 . 1 75 75 ARG HD2 H 1 3.157 0.04 . 2 . . . . A 75 ARG HD2 . 30725 1 920 . 1 . 1 75 75 ARG HD3 H 1 3.157 0.04 . 2 . . . . A 75 ARG HD3 . 30725 1 921 . 1 . 1 75 75 ARG C C 13 178.880 0.40 . 1 . . . . A 75 ARG C . 30725 1 922 . 1 . 1 75 75 ARG CA C 13 59.293 0.40 . 1 . . . . A 75 ARG CA . 30725 1 923 . 1 . 1 75 75 ARG CB C 13 29.707 0.40 . 1 . . . . A 75 ARG CB . 30725 1 924 . 1 . 1 75 75 ARG CG C 13 27.585 0.40 . 1 . . . . A 75 ARG CG . 30725 1 925 . 1 . 1 75 75 ARG CD C 13 43.344 0.40 . 1 . . . . A 75 ARG CD . 30725 1 926 . 1 . 1 75 75 ARG N N 15 119.037 0.40 . 1 . . . . A 75 ARG N . 30725 1 927 . 1 . 1 76 76 MET H H 1 7.893 0.04 . 1 . . . . A 76 MET H . 30725 1 928 . 1 . 1 76 76 MET HA H 1 3.948 0.04 . 1 . . . . A 76 MET HA . 30725 1 929 . 1 . 1 76 76 MET HB2 H 1 2.044 0.04 . 2 . . . . A 76 MET HB2 . 30725 1 930 . 1 . 1 76 76 MET HB3 H 1 1.805 0.04 . 2 . . . . A 76 MET HB3 . 30725 1 931 . 1 . 1 76 76 MET HG2 H 1 2.469 0.04 . 2 . . . . A 76 MET HG2 . 30725 1 932 . 1 . 1 76 76 MET HG3 H 1 2.182 0.04 . 2 . . . . A 76 MET HG3 . 30725 1 933 . 1 . 1 76 76 MET HE1 H 1 1.020 0.04 . 1 . . . . A 76 MET HE1 . 30725 1 934 . 1 . 1 76 76 MET HE2 H 1 1.020 0.04 . 1 . . . . A 76 MET HE2 . 30725 1 935 . 1 . 1 76 76 MET HE3 H 1 1.020 0.04 . 1 . . . . A 76 MET HE3 . 30725 1 936 . 1 . 1 76 76 MET C C 13 180.154 0.40 . 1 . . . . A 76 MET C . 30725 1 937 . 1 . 1 76 76 MET CA C 13 59.624 0.40 . 1 . . . . A 76 MET CA . 30725 1 938 . 1 . 1 76 76 MET CB C 13 33.523 0.40 . 1 . . . . A 76 MET CB . 30725 1 939 . 1 . 1 76 76 MET CG C 13 31.636 0.40 . 1 . . . . A 76 MET CG . 30725 1 940 . 1 . 1 76 76 MET CE C 13 14.800 0.40 . 1 . . . . A 76 MET CE . 30725 1 941 . 1 . 1 76 76 MET N N 15 119.707 0.40 . 1 . . . . A 76 MET N . 30725 1 942 . 1 . 1 77 77 LEU H H 1 8.208 0.04 . 1 . . . . A 77 LEU H . 30725 1 943 . 1 . 1 77 77 LEU HA H 1 4.182 0.04 . 1 . . . . A 77 LEU HA . 30725 1 944 . 1 . 1 77 77 LEU HB2 H 1 1.979 0.04 . 2 . . . . A 77 LEU HB2 . 30725 1 945 . 1 . 1 77 77 LEU HB3 H 1 0.870 0.04 . 2 . . . . A 77 LEU HB3 . 30725 1 946 . 1 . 1 77 77 LEU HG H 1 0.959 0.04 . 1 . . . . A 77 LEU HG . 30725 1 947 . 1 . 1 77 77 LEU HD11 H 1 0.660 0.04 . 2 . . . . A 77 LEU HD11 . 30725 1 948 . 1 . 1 77 77 LEU HD12 H 1 0.660 0.04 . 2 . . . . A 77 LEU HD12 . 30725 1 949 . 1 . 1 77 77 LEU HD13 H 1 0.660 0.04 . 2 . . . . A 77 LEU HD13 . 30725 1 950 . 1 . 1 77 77 LEU HD21 H 1 0.753 0.04 . 2 . . . . A 77 LEU HD21 . 30725 1 951 . 1 . 1 77 77 LEU HD22 H 1 0.753 0.04 . 2 . . . . A 77 LEU HD22 . 30725 1 952 . 1 . 1 77 77 LEU HD23 H 1 0.753 0.04 . 2 . . . . A 77 LEU HD23 . 30725 1 953 . 1 . 1 77 77 LEU C C 13 178.079 0.40 . 1 . . . . A 77 LEU C . 30725 1 954 . 1 . 1 77 77 LEU CA C 13 58.432 0.40 . 1 . . . . A 77 LEU CA . 30725 1 955 . 1 . 1 77 77 LEU CB C 13 41.887 0.40 . 1 . . . . A 77 LEU CB . 30725 1 956 . 1 . 1 77 77 LEU CG C 13 26.269 0.40 . 1 . . . . A 77 LEU CG . 30725 1 957 . 1 . 1 77 77 LEU CD1 C 13 25.769 0.40 . 2 . . . . A 77 LEU CD1 . 30725 1 958 . 1 . 1 77 77 LEU CD2 C 13 23.004 0.40 . 2 . . . . A 77 LEU CD2 . 30725 1 959 . 1 . 1 77 77 LEU N N 15 120.029 0.40 . 1 . . . . A 77 LEU N . 30725 1 960 . 1 . 1 78 78 ASP H H 1 8.073 0.04 . 1 . . . . A 78 ASP H . 30725 1 961 . 1 . 1 78 78 ASP HA H 1 4.894 0.04 . 1 . . . . A 78 ASP HA . 30725 1 962 . 1 . 1 78 78 ASP HB2 H 1 2.795 0.04 . 2 . . . . A 78 ASP HB2 . 30725 1 963 . 1 . 1 78 78 ASP HB3 H 1 2.720 0.04 . 2 . . . . A 78 ASP HB3 . 30725 1 964 . 1 . 1 78 78 ASP C C 13 179.570 0.40 . 1 . . . . A 78 ASP C . 30725 1 965 . 1 . 1 78 78 ASP CA C 13 58.292 0.40 . 1 . . . . A 78 ASP CA . 30725 1 966 . 1 . 1 78 78 ASP CB C 13 40.860 0.40 . 1 . . . . A 78 ASP CB . 30725 1 967 . 1 . 1 78 78 ASP N N 15 119.247 0.40 . 1 . . . . A 78 ASP N . 30725 1 968 . 1 . 1 79 79 GLU H H 1 8.633 0.04 . 1 . . . . A 79 GLU H . 30725 1 969 . 1 . 1 79 79 GLU HA H 1 4.018 0.04 . 1 . . . . A 79 GLU HA . 30725 1 970 . 1 . 1 79 79 GLU HB2 H 1 2.040 0.04 . 2 . . . . A 79 GLU HB2 . 30725 1 971 . 1 . 1 79 79 GLU HB3 H 1 2.021 0.04 . 2 . . . . A 79 GLU HB3 . 30725 1 972 . 1 . 1 79 79 GLU HG2 H 1 2.434 0.04 . 2 . . . . A 79 GLU HG2 . 30725 1 973 . 1 . 1 79 79 GLU HG3 H 1 2.197 0.04 . 2 . . . . A 79 GLU HG3 . 30725 1 974 . 1 . 1 79 79 GLU C C 13 179.268 0.40 . 1 . . . . A 79 GLU C . 30725 1 975 . 1 . 1 79 79 GLU CA C 13 59.623 0.40 . 1 . . . . A 79 GLU CA . 30725 1 976 . 1 . 1 79 79 GLU CB C 13 29.222 0.40 . 1 . . . . A 79 GLU CB . 30725 1 977 . 1 . 1 79 79 GLU CG C 13 36.626 0.40 . 1 . . . . A 79 GLU CG . 30725 1 978 . 1 . 1 79 79 GLU N N 15 121.048 0.40 . 1 . . . . A 79 GLU N . 30725 1 979 . 1 . 1 80 80 ARG H H 1 7.832 0.04 . 1 . . . . A 80 ARG H . 30725 1 980 . 1 . 1 80 80 ARG HA H 1 3.879 0.04 . 1 . . . . A 80 ARG HA . 30725 1 981 . 1 . 1 80 80 ARG HB2 H 1 1.552 0.04 . 2 . . . . A 80 ARG HB2 . 30725 1 982 . 1 . 1 80 80 ARG HB3 H 1 1.552 0.04 . 2 . . . . A 80 ARG HB3 . 30725 1 983 . 1 . 1 80 80 ARG HG2 H 1 0.269 0.04 . 2 . . . . A 80 ARG HG2 . 30725 1 984 . 1 . 1 80 80 ARG HG3 H 1 0.269 0.04 . 2 . . . . A 80 ARG HG3 . 30725 1 985 . 1 . 1 80 80 ARG HD2 H 1 2.188 0.04 . 2 . . . . A 80 ARG HD2 . 30725 1 986 . 1 . 1 80 80 ARG HD3 H 1 2.188 0.04 . 2 . . . . A 80 ARG HD3 . 30725 1 987 . 1 . 1 80 80 ARG C C 13 178.803 0.40 . 1 . . . . A 80 ARG C . 30725 1 988 . 1 . 1 80 80 ARG CA C 13 58.166 0.40 . 1 . . . . A 80 ARG CA . 30725 1 989 . 1 . 1 80 80 ARG CB C 13 28.909 0.40 . 1 . . . . A 80 ARG CB . 30725 1 990 . 1 . 1 80 80 ARG CG C 13 26.132 0.40 . 1 . . . . A 80 ARG CG . 30725 1 991 . 1 . 1 80 80 ARG CD C 13 42.690 0.40 . 1 . . . . A 80 ARG CD . 30725 1 992 . 1 . 1 80 80 ARG N N 15 120.583 0.40 . 1 . . . . A 80 ARG N . 30725 1 993 . 1 . 1 81 81 LEU H H 1 8.746 0.04 . 1 . . . . A 81 LEU H . 30725 1 994 . 1 . 1 81 81 LEU HA H 1 4.454 0.04 . 1 . . . . A 81 LEU HA . 30725 1 995 . 1 . 1 81 81 LEU HB2 H 1 2.168 0.04 . 2 . . . . A 81 LEU HB2 . 30725 1 996 . 1 . 1 81 81 LEU HB3 H 1 2.168 0.04 . 2 . . . . A 81 LEU HB3 . 30725 1 997 . 1 . 1 81 81 LEU HG H 1 1.235 0.04 . 1 . . . . A 81 LEU HG . 30725 1 998 . 1 . 1 81 81 LEU HD11 H 1 1.269 0.04 . 2 . . . . A 81 LEU HD11 . 30725 1 999 . 1 . 1 81 81 LEU HD12 H 1 1.269 0.04 . 2 . . . . A 81 LEU HD12 . 30725 1 1000 . 1 . 1 81 81 LEU HD13 H 1 1.269 0.04 . 2 . . . . A 81 LEU HD13 . 30725 1 1001 . 1 . 1 81 81 LEU C C 13 178.779 0.40 . 1 . . . . A 81 LEU C . 30725 1 1002 . 1 . 1 81 81 LEU CA C 13 58.109 0.40 . 1 . . . . A 81 LEU CA . 30725 1 1003 . 1 . 1 81 81 LEU CB C 13 42.721 0.40 . 1 . . . . A 81 LEU CB . 30725 1 1004 . 1 . 1 81 81 LEU CG C 13 25.360 0.40 . 1 . . . . A 81 LEU CG . 30725 1 1005 . 1 . 1 81 81 LEU CD1 C 13 24.424 0.40 . 2 . . . . A 81 LEU CD1 . 30725 1 1006 . 1 . 1 81 81 LEU N N 15 122.309 0.40 . 1 . . . . A 81 LEU N . 30725 1 1007 . 1 . 1 82 82 GLN H H 1 8.137 0.04 . 1 . . . . A 82 GLN H . 30725 1 1008 . 1 . 1 82 82 GLN HA H 1 4.161 0.04 . 1 . . . . A 82 GLN HA . 30725 1 1009 . 1 . 1 82 82 GLN HB2 H 1 2.228 0.04 . 2 . . . . A 82 GLN HB2 . 30725 1 1010 . 1 . 1 82 82 GLN HB3 H 1 2.228 0.04 . 2 . . . . A 82 GLN HB3 . 30725 1 1011 . 1 . 1 82 82 GLN HG2 H 1 2.515 0.04 . 2 . . . . A 82 GLN HG2 . 30725 1 1012 . 1 . 1 82 82 GLN HG3 H 1 2.515 0.04 . 2 . . . . A 82 GLN HG3 . 30725 1 1013 . 1 . 1 82 82 GLN HE21 H 1 7.481 0.04 . 2 . . . . A 82 GLN HE21 . 30725 1 1014 . 1 . 1 82 82 GLN HE22 H 1 6.884 0.04 . 2 . . . . A 82 GLN HE22 . 30725 1 1015 . 1 . 1 82 82 GLN C C 13 178.720 0.40 . 1 . . . . A 82 GLN C . 30725 1 1016 . 1 . 1 82 82 GLN CA C 13 58.729 0.40 . 1 . . . . A 82 GLN CA . 30725 1 1017 . 1 . 1 82 82 GLN CB C 13 27.960 0.40 . 1 . . . . A 82 GLN CB . 30725 1 1018 . 1 . 1 82 82 GLN CG C 13 33.600 0.40 . 1 . . . . A 82 GLN CG . 30725 1 1019 . 1 . 1 82 82 GLN N N 15 118.578 0.40 . 1 . . . . A 82 GLN N . 30725 1 1020 . 1 . 1 82 82 GLN NE2 N 15 111.525 0.40 . 1 . . . . A 82 GLN NE2 . 30725 1 1021 . 1 . 1 83 83 ARG H H 1 7.614 0.04 . 1 . . . . A 83 ARG H . 30725 1 1022 . 1 . 1 83 83 ARG HA H 1 4.137 0.04 . 1 . . . . A 83 ARG HA . 30725 1 1023 . 1 . 1 83 83 ARG HB2 H 1 1.913 0.04 . 2 . . . . A 83 ARG HB2 . 30725 1 1024 . 1 . 1 83 83 ARG HB3 H 1 1.913 0.04 . 2 . . . . A 83 ARG HB3 . 30725 1 1025 . 1 . 1 83 83 ARG HG2 H 1 1.811 0.04 . 2 . . . . A 83 ARG HG2 . 30725 1 1026 . 1 . 1 83 83 ARG HG3 H 1 1.811 0.04 . 2 . . . . A 83 ARG HG3 . 30725 1 1027 . 1 . 1 83 83 ARG HD2 H 1 3.157 0.04 . 2 . . . . A 83 ARG HD2 . 30725 1 1028 . 1 . 1 83 83 ARG HD3 H 1 3.157 0.04 . 2 . . . . A 83 ARG HD3 . 30725 1 1029 . 1 . 1 83 83 ARG C C 13 178.156 0.40 . 1 . . . . A 83 ARG C . 30725 1 1030 . 1 . 1 83 83 ARG CA C 13 58.601 0.40 . 1 . . . . A 83 ARG CA . 30725 1 1031 . 1 . 1 83 83 ARG CB C 13 30.334 0.40 . 1 . . . . A 83 ARG CB . 30725 1 1032 . 1 . 1 83 83 ARG CG C 13 27.463 0.40 . 1 . . . . A 83 ARG CG . 30725 1 1033 . 1 . 1 83 83 ARG CD C 13 43.235 0.40 . 1 . . . . A 83 ARG CD . 30725 1 1034 . 1 . 1 83 83 ARG N N 15 119.171 0.40 . 1 . . . . A 83 ARG N . 30725 1 1035 . 1 . 1 84 84 HIS H H 1 8.454 0.04 . 1 . . . . A 84 HIS H . 30725 1 1036 . 1 . 1 84 84 HIS HA H 1 4.458 0.04 . 1 . . . . A 84 HIS HA . 30725 1 1037 . 1 . 1 84 84 HIS HB2 H 1 3.389 0.04 . 2 . . . . A 84 HIS HB2 . 30725 1 1038 . 1 . 1 84 84 HIS HB3 H 1 3.640 0.04 . 2 . . . . A 84 HIS HB3 . 30725 1 1039 . 1 . 1 84 84 HIS HD2 H 1 7.804 0.04 . 1 . . . . A 84 HIS HD2 . 30725 1 1040 . 1 . 1 84 84 HIS C C 13 177.355 0.40 . 1 . . . . A 84 HIS C . 30725 1 1041 . 1 . 1 84 84 HIS CA C 13 59.307 0.40 . 1 . . . . A 84 HIS CA . 30725 1 1042 . 1 . 1 84 84 HIS CB C 13 31.554 0.40 . 1 . . . . A 84 HIS CB . 30725 1 1043 . 1 . 1 84 84 HIS CD2 C 13 113.100 0.40 . 1 . . . . A 84 HIS CD2 . 30725 1 1044 . 1 . 1 84 84 HIS N N 15 121.327 0.40 . 1 . . . . A 84 HIS N . 30725 1 1045 . 1 . 1 85 85 ARG H H 1 8.356 0.04 . 1 . . . . A 85 ARG H . 30725 1 1046 . 1 . 1 85 85 ARG HA H 1 4.174 0.04 . 1 . . . . A 85 ARG HA . 30725 1 1047 . 1 . 1 85 85 ARG HB2 H 1 1.961 0.04 . 2 . . . . A 85 ARG HB2 . 30725 1 1048 . 1 . 1 85 85 ARG HB3 H 1 1.961 0.04 . 2 . . . . A 85 ARG HB3 . 30725 1 1049 . 1 . 1 85 85 ARG HG2 H 1 1.629 0.04 . 2 . . . . A 85 ARG HG2 . 30725 1 1050 . 1 . 1 85 85 ARG HG3 H 1 1.629 0.04 . 2 . . . . A 85 ARG HG3 . 30725 1 1051 . 1 . 1 85 85 ARG HD2 H 1 3.161 0.04 . 2 . . . . A 85 ARG HD2 . 30725 1 1052 . 1 . 1 85 85 ARG HD3 H 1 3.161 0.04 . 2 . . . . A 85 ARG HD3 . 30725 1 1053 . 1 . 1 85 85 ARG C C 13 177.994 0.40 . 1 . . . . A 85 ARG C . 30725 1 1054 . 1 . 1 85 85 ARG CA C 13 58.020 0.40 . 1 . . . . A 85 ARG CA . 30725 1 1055 . 1 . 1 85 85 ARG CB C 13 30.760 0.40 . 1 . . . . A 85 ARG CB . 30725 1 1056 . 1 . 1 85 85 ARG CG C 13 27.435 0.40 . 1 . . . . A 85 ARG CG . 30725 1 1057 . 1 . 1 85 85 ARG CD C 13 43.371 0.40 . 1 . . . . A 85 ARG CD . 30725 1 1058 . 1 . 1 85 85 ARG N N 15 118.891 0.40 . 1 . . . . A 85 ARG N . 30725 1 1059 . 1 . 1 86 86 THR H H 1 8.034 0.04 . 1 . . . . A 86 THR H . 30725 1 1060 . 1 . 1 86 86 THR HA H 1 4.299 0.04 . 1 . . . . A 86 THR HA . 30725 1 1061 . 1 . 1 86 86 THR HB H 1 4.320 0.04 . 1 . . . . A 86 THR HB . 30725 1 1062 . 1 . 1 86 86 THR HG21 H 1 1.259 0.04 . 1 . . . . A 86 THR HG21 . 30725 1 1063 . 1 . 1 86 86 THR HG22 H 1 1.259 0.04 . 1 . . . . A 86 THR HG22 . 30725 1 1064 . 1 . 1 86 86 THR HG23 H 1 1.259 0.04 . 1 . . . . A 86 THR HG23 . 30725 1 1065 . 1 . 1 86 86 THR C C 13 175.341 0.40 . 1 . . . . A 86 THR C . 30725 1 1066 . 1 . 1 86 86 THR CA C 13 63.364 0.40 . 1 . . . . A 86 THR CA . 30725 1 1067 . 1 . 1 86 86 THR CB C 13 69.654 0.40 . 1 . . . . A 86 THR CB . 30725 1 1068 . 1 . 1 86 86 THR CG2 C 13 21.614 0.40 . 1 . . . . A 86 THR CG2 . 30725 1 1069 . 1 . 1 86 86 THR N N 15 112.801 0.40 . 1 . . . . A 86 THR N . 30725 1 1070 . 1 . 1 87 87 SER H H 1 8.077 0.04 . 1 . . . . A 87 SER H . 30725 1 1071 . 1 . 1 87 87 SER HA H 1 4.500 0.04 . 1 . . . . A 87 SER HA . 30725 1 1072 . 1 . 1 87 87 SER HB2 H 1 3.926 0.04 . 2 . . . . A 87 SER HB2 . 30725 1 1073 . 1 . 1 87 87 SER HB3 H 1 3.926 0.04 . 2 . . . . A 87 SER HB3 . 30725 1 1074 . 1 . 1 87 87 SER C C 13 175.001 0.40 . 1 . . . . A 87 SER C . 30725 1 1075 . 1 . 1 87 87 SER CA C 13 58.921 0.40 . 1 . . . . A 87 SER CA . 30725 1 1076 . 1 . 1 87 87 SER CB C 13 64.005 0.40 . 1 . . . . A 87 SER CB . 30725 1 1077 . 1 . 1 87 87 SER N N 15 116.577 0.40 . 1 . . . . A 87 SER N . 30725 1 1078 . 1 . 1 88 88 GLY H H 1 8.137 0.04 . 1 . . . . A 88 GLY H . 30725 1 1079 . 1 . 1 88 88 GLY HA2 H 1 4.014 0.04 . 2 . . . . A 88 GLY HA2 . 30725 1 1080 . 1 . 1 88 88 GLY HA3 H 1 3.860 0.04 . 2 . . . . A 88 GLY HA3 . 30725 1 1081 . 1 . 1 88 88 GLY C C 13 174.487 0.40 . 1 . . . . A 88 GLY C . 30725 1 1082 . 1 . 1 88 88 GLY CA C 13 45.524 0.40 . 1 . . . . A 88 GLY CA . 30725 1 1083 . 1 . 1 88 88 GLY N N 15 110.429 0.40 . 1 . . . . A 88 GLY N . 30725 1 1084 . 1 . 1 89 89 GLY H H 1 8.097 0.04 . 1 . . . . A 89 GLY H . 30725 1 1085 . 1 . 1 89 89 GLY HA2 H 1 3.799 0.04 . 2 . . . . A 89 GLY HA2 . 30725 1 1086 . 1 . 1 89 89 GLY HA3 H 1 3.731 0.04 . 2 . . . . A 89 GLY HA3 . 30725 1 1087 . 1 . 1 89 89 GLY C C 13 172.823 0.40 . 1 . . . . A 89 GLY C . 30725 1 1088 . 1 . 1 89 89 GLY CA C 13 44.996 0.40 . 1 . . . . A 89 GLY CA . 30725 1 1089 . 1 . 1 89 89 GLY N N 15 108.915 0.40 . 1 . . . . A 89 GLY N . 30725 1 1090 . 1 . 1 90 90 ASP H H 1 7.991 0.04 . 1 . . . . A 90 ASP H . 30725 1 1091 . 1 . 1 90 90 ASP HA H 1 4.436 0.04 . 1 . . . . A 90 ASP HA . 30725 1 1092 . 1 . 1 90 90 ASP HB2 H 1 2.655 0.04 . 2 . . . . A 90 ASP HB2 . 30725 1 1093 . 1 . 1 90 90 ASP HB3 H 1 2.546 0.04 . 2 . . . . A 90 ASP HB3 . 30725 1 1094 . 1 . 1 90 90 ASP CA C 13 55.807 0.40 . 1 . . . . A 90 ASP CA . 30725 1 1095 . 1 . 1 90 90 ASP CB C 13 42.431 0.40 . 1 . . . . A 90 ASP CB . 30725 1 1096 . 1 . 1 90 90 ASP N N 15 125.929 0.40 . 1 . . . . A 90 ASP N . 30725 1 stop_ save_