data_34518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34518 _Entry.Title ; De-novo Maquette 2 protein with buried ion-pair ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-19 _Entry.Accession_date 2020-05-19 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _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 M. Baumgart M. . . . 34518 2 M. Roepke M. . . . 34518 3 M. Muehlbauer M. . . . 34518 4 S. Asami S. . . . 34518 5 S. Mader S. . . . 34518 6 K. Fredriksson K. . . . 34518 7 M. Groll M. . . . 34518 8 A. Gamiz-Hernandez A. P. . . 34518 9 V. Kaila V. R.I. . . 34518 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34518 PROTEIN . 34518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 34518 '15N chemical shifts' 126 34518 '1H chemical shifts' 818 34518 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-04-05 . original BMRB . 34518 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Z35 'BMRB Entry Tracking System' 34518 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34518 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33767131 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Design of Buried Charged Networks in Artificial Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 1895 _Citation.Page_last 1895 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Baumgart M. . . . 34518 1 2 M. Roepke M. . . . 34518 1 3 M. Muehlbauer M. . . . 34518 1 4 S. Asami S. . . . 34518 1 5 S. Mader S. . . . 34518 1 6 K. Fredriksson K. . . . 34518 1 7 M. Groll M. . . . 34518 1 8 A. Gamiz-Hernandez A. P. . . 34518 1 9 V. Kaila V. R.I. . . 34518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34518 _Assembly.ID 1 _Assembly.Name 'Maquette 2-1ip' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34518 _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 ; SEFEKLRQTGDELVQAEQRL REIFDKGDDDSLEQVLEEIE ELIQKHRQLFDNRQEAADTE AAKQGDQWVQLKQRFREAID KGDKDSLEQLLEELEQALQK IRELAEKKN ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12929.207 _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 . SER . 34518 1 2 . GLU . 34518 1 3 . PHE . 34518 1 4 . GLU . 34518 1 5 . LYS . 34518 1 6 . LEU . 34518 1 7 . ARG . 34518 1 8 . GLN . 34518 1 9 . THR . 34518 1 10 . GLY . 34518 1 11 . ASP . 34518 1 12 . GLU . 34518 1 13 . LEU . 34518 1 14 . VAL . 34518 1 15 . GLN . 34518 1 16 . ALA . 34518 1 17 . GLU . 34518 1 18 . GLN . 34518 1 19 . ARG . 34518 1 20 . LEU . 34518 1 21 . ARG . 34518 1 22 . GLU . 34518 1 23 . ILE . 34518 1 24 . PHE . 34518 1 25 . ASP . 34518 1 26 . LYS . 34518 1 27 . GLY . 34518 1 28 . ASP . 34518 1 29 . ASP . 34518 1 30 . ASP . 34518 1 31 . SER . 34518 1 32 . LEU . 34518 1 33 . GLU . 34518 1 34 . GLN . 34518 1 35 . VAL . 34518 1 36 . LEU . 34518 1 37 . GLU . 34518 1 38 . GLU . 34518 1 39 . ILE . 34518 1 40 . GLU . 34518 1 41 . GLU . 34518 1 42 . LEU . 34518 1 43 . ILE . 34518 1 44 . GLN . 34518 1 45 . LYS . 34518 1 46 . HIS . 34518 1 47 . ARG . 34518 1 48 . GLN . 34518 1 49 . LEU . 34518 1 50 . PHE . 34518 1 51 . ASP . 34518 1 52 . ASN . 34518 1 53 . ARG . 34518 1 54 . GLN . 34518 1 55 . GLU . 34518 1 56 . ALA . 34518 1 57 . ALA . 34518 1 58 . ASP . 34518 1 59 . THR . 34518 1 60 . GLU . 34518 1 61 . ALA . 34518 1 62 . ALA . 34518 1 63 . LYS . 34518 1 64 . GLN . 34518 1 65 . GLY . 34518 1 66 . ASP . 34518 1 67 . GLN . 34518 1 68 . TRP . 34518 1 69 . VAL . 34518 1 70 . GLN . 34518 1 71 . LEU . 34518 1 72 . LYS . 34518 1 73 . GLN . 34518 1 74 . ARG . 34518 1 75 . PHE . 34518 1 76 . ARG . 34518 1 77 . GLU . 34518 1 78 . ALA . 34518 1 79 . ILE . 34518 1 80 . ASP . 34518 1 81 . LYS . 34518 1 82 . GLY . 34518 1 83 . ASP . 34518 1 84 . LYS . 34518 1 85 . ASP . 34518 1 86 . SER . 34518 1 87 . LEU . 34518 1 88 . GLU . 34518 1 89 . GLN . 34518 1 90 . LEU . 34518 1 91 . LEU . 34518 1 92 . GLU . 34518 1 93 . GLU . 34518 1 94 . LEU . 34518 1 95 . GLU . 34518 1 96 . GLN . 34518 1 97 . ALA . 34518 1 98 . LEU . 34518 1 99 . GLN . 34518 1 100 . LYS . 34518 1 101 . ILE . 34518 1 102 . ARG . 34518 1 103 . GLU . 34518 1 104 . LEU . 34518 1 105 . ALA . 34518 1 106 . GLU . 34518 1 107 . LYS . 34518 1 108 . LYS . 34518 1 109 . ASN . 34518 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 . SER 1 1 34518 1 . GLU 2 2 34518 1 . PHE 3 3 34518 1 . GLU 4 4 34518 1 . LYS 5 5 34518 1 . LEU 6 6 34518 1 . ARG 7 7 34518 1 . GLN 8 8 34518 1 . THR 9 9 34518 1 . GLY 10 10 34518 1 . ASP 11 11 34518 1 . GLU 12 12 34518 1 . LEU 13 13 34518 1 . VAL 14 14 34518 1 . GLN 15 15 34518 1 . ALA 16 16 34518 1 . GLU 17 17 34518 1 . GLN 18 18 34518 1 . ARG 19 19 34518 1 . LEU 20 20 34518 1 . ARG 21 21 34518 1 . GLU 22 22 34518 1 . ILE 23 23 34518 1 . PHE 24 24 34518 1 . ASP 25 25 34518 1 . LYS 26 26 34518 1 . GLY 27 27 34518 1 . ASP 28 28 34518 1 . ASP 29 29 34518 1 . ASP 30 30 34518 1 . SER 31 31 34518 1 . LEU 32 32 34518 1 . GLU 33 33 34518 1 . GLN 34 34 34518 1 . VAL 35 35 34518 1 . LEU 36 36 34518 1 . GLU 37 37 34518 1 . GLU 38 38 34518 1 . ILE 39 39 34518 1 . GLU 40 40 34518 1 . GLU 41 41 34518 1 . LEU 42 42 34518 1 . ILE 43 43 34518 1 . GLN 44 44 34518 1 . LYS 45 45 34518 1 . HIS 46 46 34518 1 . ARG 47 47 34518 1 . GLN 48 48 34518 1 . LEU 49 49 34518 1 . PHE 50 50 34518 1 . ASP 51 51 34518 1 . ASN 52 52 34518 1 . ARG 53 53 34518 1 . GLN 54 54 34518 1 . GLU 55 55 34518 1 . ALA 56 56 34518 1 . ALA 57 57 34518 1 . ASP 58 58 34518 1 . THR 59 59 34518 1 . GLU 60 60 34518 1 . ALA 61 61 34518 1 . ALA 62 62 34518 1 . LYS 63 63 34518 1 . GLN 64 64 34518 1 . GLY 65 65 34518 1 . ASP 66 66 34518 1 . GLN 67 67 34518 1 . TRP 68 68 34518 1 . VAL 69 69 34518 1 . GLN 70 70 34518 1 . LEU 71 71 34518 1 . LYS 72 72 34518 1 . GLN 73 73 34518 1 . ARG 74 74 34518 1 . PHE 75 75 34518 1 . ARG 76 76 34518 1 . GLU 77 77 34518 1 . ALA 78 78 34518 1 . ILE 79 79 34518 1 . ASP 80 80 34518 1 . LYS 81 81 34518 1 . GLY 82 82 34518 1 . ASP 83 83 34518 1 . LYS 84 84 34518 1 . ASP 85 85 34518 1 . SER 86 86 34518 1 . LEU 87 87 34518 1 . GLU 88 88 34518 1 . GLN 89 89 34518 1 . LEU 90 90 34518 1 . LEU 91 91 34518 1 . GLU 92 92 34518 1 . GLU 93 93 34518 1 . LEU 94 94 34518 1 . GLU 95 95 34518 1 . GLN 96 96 34518 1 . ALA 97 97 34518 1 . LEU 98 98 34518 1 . GLN 99 99 34518 1 . LYS 100 100 34518 1 . ILE 101 101 34518 1 . ARG 102 102 34518 1 . GLU 103 103 34518 1 . LEU 104 104 34518 1 . ALA 105 105 34518 1 . GLU 106 106 34518 1 . LYS 107 107 34518 1 . LYS 108 108 34518 1 . ASN 109 109 34518 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 34518 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34518 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 34518 _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 . . . . . . . . . . 34518 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34518 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '800 uM [U-13C; U-15N] Maquette 2-1ip, 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 'Maquette 2-1ip' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . 800 . . uM . . . . 34518 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 34518 _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 34518 1 pH 7.5 . pH 34518 1 pressure 1 . atm 34518 1 temperature 293 . K 34518 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34518 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34518 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34518 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34518 _Software.ID 2 _Software.Type . _Software.Name OPALp _Software.Version 1.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Guntert' . . 34518 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34518 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34518 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 3.5pl7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34518 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34518 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34518 _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 . . 34518 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34518 4 'peak picking' . 34518 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34518 _Software.ID 5 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34518 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34518 5 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 34518 _NMR_spectrometer.ID 1 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34518 _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 950 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 34518 _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 III' . 600 . . . 34518 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 950 . . . 34518 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 34518 _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 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 8 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 12 '3D CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 15 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34518 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34518 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 34518 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34518 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34518 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34518 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 34518 _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 1H-15N NOESY' . . . 34518 1 2 '3D 1H-13C NOESY aliphatic' . . . 34518 1 3 '3D 1H-13C NOESY aromatic' . . . 34518 1 4 '3D HNCA' . . . 34518 1 5 '3D HN(CO)CA' . . . 34518 1 6 '3D HNCO' . . . 34518 1 7 '3D HN(CA)CO' . . . 34518 1 8 '3D HNCACB' . . . 34518 1 9 '3D CBCA(CO)NH' . . . 34518 1 10 '3D HBHA(CO)NH' . . . 34518 1 11 '3D H(CCO)NH' . . . 34518 1 12 '3D CC(CO)NH' . . . 34518 1 13 '3D HCCH-TOCSY' . . . 34518 1 14 '3D HCCH-TOCSY' . . . 34518 1 15 '2D (HB)CB(CGCD)HD' . . . 34518 1 16 '2D 1H-15N HSQC' . . . 34518 1 17 '2D 1H-13C HSQC' . . . 34518 1 18 '2D 1H-15N HSQC' . . . 34518 1 19 '2D 1H-13C HSQC' . . . 34518 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 SER H H 1 8.220 0.020 . 1 . . . . A 1 SER H1 . 34518 1 2 . 1 . 1 1 1 SER HA H 1 3.883 0.020 . 1 . . . . A 1 SER HA . 34518 1 3 . 1 . 1 1 1 SER HB2 H 1 3.831 0.020 . 2 . . . . A 1 SER HB2 . 34518 1 4 . 1 . 1 1 1 SER HB3 H 1 3.905 0.020 . 2 . . . . A 1 SER HB3 . 34518 1 5 . 1 . 1 1 1 SER C C 13 176.240 0.400 . 1 . . . . A 1 SER C . 34518 1 6 . 1 . 1 1 1 SER CA C 13 57.829 0.400 . 1 . . . . A 1 SER CA . 34518 1 7 . 1 . 1 1 1 SER CB C 13 65.314 0.400 . 1 . . . . A 1 SER CB . 34518 1 8 . 1 . 1 1 1 SER N N 15 121.261 0.400 . 1 . . . . A 1 SER N . 34518 1 9 . 1 . 1 2 2 GLU H H 1 8.366 0.020 . 1 . . . . A 2 GLU H . 34518 1 10 . 1 . 1 2 2 GLU HA H 1 4.243 0.020 . 1 . . . . A 2 GLU HA . 34518 1 11 . 1 . 1 2 2 GLU HB2 H 1 1.873 0.020 . 2 . . . . A 2 GLU HB2 . 34518 1 12 . 1 . 1 2 2 GLU HB3 H 1 1.977 0.020 . 2 . . . . A 2 GLU HB3 . 34518 1 13 . 1 . 1 2 2 GLU HG2 H 1 2.124 0.020 . 2 . . . . A 2 GLU HG2 . 34518 1 14 . 1 . 1 2 2 GLU HG3 H 1 2.178 0.020 . 2 . . . . A 2 GLU HG3 . 34518 1 15 . 1 . 1 2 2 GLU C C 13 176.872 0.400 . 1 . . . . A 2 GLU C . 34518 1 16 . 1 . 1 2 2 GLU CA C 13 57.390 0.400 . 1 . . . . A 2 GLU CA . 34518 1 17 . 1 . 1 2 2 GLU CB C 13 29.974 0.400 . 1 . . . . A 2 GLU CB . 34518 1 18 . 1 . 1 2 2 GLU CG C 13 36.142 0.400 . 1 . . . . A 2 GLU CG . 34518 1 19 . 1 . 1 2 2 GLU N N 15 119.484 0.400 . 1 . . . . A 2 GLU N . 34518 1 20 . 1 . 1 3 3 PHE H H 1 8.296 0.020 . 1 . . . . A 3 PHE H . 34518 1 21 . 1 . 1 3 3 PHE HA H 1 4.516 0.020 . 1 . . . . A 3 PHE HA . 34518 1 22 . 1 . 1 3 3 PHE HB2 H 1 3.059 0.020 . 2 . . . . A 3 PHE HB2 . 34518 1 23 . 1 . 1 3 3 PHE HB3 H 1 3.170 0.020 . 2 . . . . A 3 PHE HB3 . 34518 1 24 . 1 . 1 3 3 PHE HD1 H 1 7.225 0.020 . 1 . . . . A 3 PHE HD1 . 34518 1 25 . 1 . 1 3 3 PHE HD2 H 1 7.262 0.020 . 1 . . . . A 3 PHE HD2 . 34518 1 26 . 1 . 1 3 3 PHE HE1 H 1 7.249 0.020 . 1 . . . . A 3 PHE HE1 . 34518 1 27 . 1 . 1 3 3 PHE HE2 H 1 7.365 0.020 . 1 . . . . A 3 PHE HE2 . 34518 1 28 . 1 . 1 3 3 PHE HZ H 1 7.351 0.020 . 1 . . . . A 3 PHE HZ . 34518 1 29 . 1 . 1 3 3 PHE C C 13 176.490 0.400 . 1 . . . . A 3 PHE C . 34518 1 30 . 1 . 1 3 3 PHE CA C 13 58.882 0.400 . 1 . . . . A 3 PHE CA . 34518 1 31 . 1 . 1 3 3 PHE CB C 13 39.238 0.400 . 1 . . . . A 3 PHE CB . 34518 1 32 . 1 . 1 3 3 PHE CD1 C 13 131.754 0.400 . 3 . . . . A 3 PHE CD1 . 34518 1 33 . 1 . 1 3 3 PHE CD2 C 13 131.618 0.400 . 3 . . . . A 3 PHE CD2 . 34518 1 34 . 1 . 1 3 3 PHE CE1 C 13 131.592 0.400 . 3 . . . . A 3 PHE CE1 . 34518 1 35 . 1 . 1 3 3 PHE CE2 C 13 131.688 0.400 . 3 . . . . A 3 PHE CE2 . 34518 1 36 . 1 . 1 3 3 PHE CZ C 13 131.703 0.400 . 1 . . . . A 3 PHE CZ . 34518 1 37 . 1 . 1 3 3 PHE N N 15 119.894 0.400 . 1 . . . . A 3 PHE N . 34518 1 38 . 1 . 1 4 4 GLU H H 1 8.218 0.020 . 1 . . . . A 4 GLU H . 34518 1 39 . 1 . 1 4 4 GLU HA H 1 4.155 0.020 . 1 . . . . A 4 GLU HA . 34518 1 40 . 1 . 1 4 4 GLU HB2 H 1 2.032 0.020 . 2 . . . . A 4 GLU HB2 . 34518 1 41 . 1 . 1 4 4 GLU HB3 H 1 2.037 0.020 . 2 . . . . A 4 GLU HB3 . 34518 1 42 . 1 . 1 4 4 GLU HG2 H 1 2.276 0.020 . 2 . . . . A 4 GLU HG2 . 34518 1 43 . 1 . 1 4 4 GLU HG3 H 1 2.276 0.020 . 2 . . . . A 4 GLU HG3 . 34518 1 44 . 1 . 1 4 4 GLU C C 13 177.224 0.400 . 1 . . . . A 4 GLU C . 34518 1 45 . 1 . 1 4 4 GLU CA C 13 57.763 0.400 . 1 . . . . A 4 GLU CA . 34518 1 46 . 1 . 1 4 4 GLU CB C 13 29.926 0.400 . 1 . . . . A 4 GLU CB . 34518 1 47 . 1 . 1 4 4 GLU CG C 13 36.360 0.400 . 1 . . . . A 4 GLU CG . 34518 1 48 . 1 . 1 4 4 GLU N N 15 121.257 0.400 . 1 . . . . A 4 GLU N . 34518 1 49 . 1 . 1 5 5 LYS H H 1 8.144 0.020 . 1 . . . . A 5 LYS H . 34518 1 50 . 1 . 1 5 5 LYS HA H 1 4.235 0.020 . 1 . . . . A 5 LYS HA . 34518 1 51 . 1 . 1 5 5 LYS HB2 H 1 1.857 0.020 . 2 . . . . A 5 LYS HB2 . 34518 1 52 . 1 . 1 5 5 LYS HB3 H 1 1.857 0.020 . 2 . . . . A 5 LYS HB3 . 34518 1 53 . 1 . 1 5 5 LYS HG2 H 1 1.456 0.020 . 2 . . . . A 5 LYS HG2 . 34518 1 54 . 1 . 1 5 5 LYS HG3 H 1 1.504 0.020 . 2 . . . . A 5 LYS HG3 . 34518 1 55 . 1 . 1 5 5 LYS HD2 H 1 1.697 0.020 . 2 . . . . A 5 LYS HD2 . 34518 1 56 . 1 . 1 5 5 LYS HD3 H 1 1.701 0.020 . 2 . . . . A 5 LYS HD3 . 34518 1 57 . 1 . 1 5 5 LYS HE2 H 1 2.992 0.020 . 2 . . . . A 5 LYS HE2 . 34518 1 58 . 1 . 1 5 5 LYS HE3 H 1 2.998 0.020 . 2 . . . . A 5 LYS HE3 . 34518 1 59 . 1 . 1 5 5 LYS C C 13 177.757 0.400 . 1 . . . . A 5 LYS C . 34518 1 60 . 1 . 1 5 5 LYS CA C 13 57.434 0.400 . 1 . . . . A 5 LYS CA . 34518 1 61 . 1 . 1 5 5 LYS CB C 13 32.736 0.400 . 1 . . . . A 5 LYS CB . 34518 1 62 . 1 . 1 5 5 LYS CG C 13 25.034 0.400 . 1 . . . . A 5 LYS CG . 34518 1 63 . 1 . 1 5 5 LYS CD C 13 29.208 0.400 . 1 . . . . A 5 LYS CD . 34518 1 64 . 1 . 1 5 5 LYS CE C 13 42.168 0.400 . 1 . . . . A 5 LYS CE . 34518 1 65 . 1 . 1 5 5 LYS N N 15 121.191 0.400 . 1 . . . . A 5 LYS N . 34518 1 66 . 1 . 1 6 6 LEU H H 1 8.196 0.020 . 1 . . . . A 6 LEU H . 34518 1 67 . 1 . 1 6 6 LEU HA H 1 4.211 0.020 . 1 . . . . A 6 LEU HA . 34518 1 68 . 1 . 1 6 6 LEU HB2 H 1 1.608 0.020 . 2 . . . . A 6 LEU HB2 . 34518 1 69 . 1 . 1 6 6 LEU HB3 H 1 1.676 0.020 . 2 . . . . A 6 LEU HB3 . 34518 1 70 . 1 . 1 6 6 LEU HG H 1 1.607 0.020 . 1 . . . . A 6 LEU HG . 34518 1 71 . 1 . 1 6 6 LEU HD11 H 1 0.807 0.020 . 2 . . . . A 6 LEU HD11 . 34518 1 72 . 1 . 1 6 6 LEU HD12 H 1 0.807 0.020 . 2 . . . . A 6 LEU HD12 . 34518 1 73 . 1 . 1 6 6 LEU HD13 H 1 0.807 0.020 . 2 . . . . A 6 LEU HD13 . 34518 1 74 . 1 . 1 6 6 LEU HD21 H 1 0.850 0.020 . 2 . . . . A 6 LEU HD21 . 34518 1 75 . 1 . 1 6 6 LEU HD22 H 1 0.850 0.020 . 2 . . . . A 6 LEU HD22 . 34518 1 76 . 1 . 1 6 6 LEU HD23 H 1 0.850 0.020 . 2 . . . . A 6 LEU HD23 . 34518 1 77 . 1 . 1 6 6 LEU C C 13 178.051 0.400 . 1 . . . . A 6 LEU C . 34518 1 78 . 1 . 1 6 6 LEU CA C 13 56.260 0.400 . 1 . . . . A 6 LEU CA . 34518 1 79 . 1 . 1 6 6 LEU CB C 13 42.116 0.400 . 1 . . . . A 6 LEU CB . 34518 1 80 . 1 . 1 6 6 LEU CG C 13 27.069 0.400 . 1 . . . . A 6 LEU CG . 34518 1 81 . 1 . 1 6 6 LEU CD1 C 13 24.009 0.400 . 2 . . . . A 6 LEU CD1 . 34518 1 82 . 1 . 1 6 6 LEU CD2 C 13 24.901 0.400 . 2 . . . . A 6 LEU CD2 . 34518 1 83 . 1 . 1 6 6 LEU N N 15 122.590 0.400 . 1 . . . . A 6 LEU N . 34518 1 84 . 1 . 1 7 7 ARG H H 1 8.220 0.020 . 1 . . . . A 7 ARG H . 34518 1 85 . 1 . 1 7 7 ARG HA H 1 4.228 0.020 . 1 . . . . A 7 ARG HA . 34518 1 86 . 1 . 1 7 7 ARG HB2 H 1 1.783 0.020 . 2 . . . . A 7 ARG HB2 . 34518 1 87 . 1 . 1 7 7 ARG HB3 H 1 1.852 0.020 . 2 . . . . A 7 ARG HB3 . 34518 1 88 . 1 . 1 7 7 ARG HG2 H 1 1.601 0.020 . 2 . . . . A 7 ARG HG2 . 34518 1 89 . 1 . 1 7 7 ARG HG3 H 1 1.802 0.020 . 2 . . . . A 7 ARG HG3 . 34518 1 90 . 1 . 1 7 7 ARG HD2 H 1 3.190 0.020 . 2 . . . . A 7 ARG HD2 . 34518 1 91 . 1 . 1 7 7 ARG HD3 H 1 3.192 0.020 . 2 . . . . A 7 ARG HD3 . 34518 1 92 . 1 . 1 7 7 ARG HE H 1 8.691 0.020 . 1 . . . . A 7 ARG HE . 34518 1 93 . 1 . 1 7 7 ARG C C 13 177.131 0.400 . 1 . . . . A 7 ARG C . 34518 1 94 . 1 . 1 7 7 ARG CA C 13 57.216 0.400 . 1 . . . . A 7 ARG CA . 34518 1 95 . 1 . 1 7 7 ARG CB C 13 30.379 0.400 . 1 . . . . A 7 ARG CB . 34518 1 96 . 1 . 1 7 7 ARG CG C 13 27.106 0.400 . 1 . . . . A 7 ARG CG . 34518 1 97 . 1 . 1 7 7 ARG CD C 13 43.366 0.400 . 1 . . . . A 7 ARG CD . 34518 1 98 . 1 . 1 7 7 ARG N N 15 121.779 0.400 . 1 . . . . A 7 ARG N . 34518 1 99 . 1 . 1 8 8 GLN H H 1 8.436 0.020 . 1 . . . . A 8 GLN H . 34518 1 100 . 1 . 1 8 8 GLN HA H 1 4.358 0.020 . 1 . . . . A 8 GLN HA . 34518 1 101 . 1 . 1 8 8 GLN HB2 H 1 2.143 0.020 . 2 . . . . A 8 GLN HB2 . 34518 1 102 . 1 . 1 8 8 GLN HB3 H 1 2.156 0.020 . 2 . . . . A 8 GLN HB3 . 34518 1 103 . 1 . 1 8 8 GLN HG2 H 1 2.406 0.020 . 2 . . . . A 8 GLN HG2 . 34518 1 104 . 1 . 1 8 8 GLN HG3 H 1 2.414 0.020 . 2 . . . . A 8 GLN HG3 . 34518 1 105 . 1 . 1 8 8 GLN HE21 H 1 6.854 0.020 . 2 . . . . A 8 GLN HE21 . 34518 1 106 . 1 . 1 8 8 GLN HE22 H 1 7.547 0.020 . 2 . . . . A 8 GLN HE22 . 34518 1 107 . 1 . 1 8 8 GLN C C 13 177.088 0.400 . 1 . . . . A 8 GLN C . 34518 1 108 . 1 . 1 8 8 GLN CA C 13 56.905 0.400 . 1 . . . . A 8 GLN CA . 34518 1 109 . 1 . 1 8 8 GLN CB C 13 29.175 0.400 . 1 . . . . A 8 GLN CB . 34518 1 110 . 1 . 1 8 8 GLN CG C 13 33.932 0.400 . 1 . . . . A 8 GLN CG . 34518 1 111 . 1 . 1 8 8 GLN N N 15 121.054 0.400 . 1 . . . . A 8 GLN N . 34518 1 112 . 1 . 1 8 8 GLN NE2 N 15 111.837 0.400 . 1 . . . . A 8 GLN NE2 . 34518 1 113 . 1 . 1 9 9 THR H H 1 8.302 0.020 . 1 . . . . A 9 THR H . 34518 1 114 . 1 . 1 9 9 THR HA H 1 4.227 0.020 . 1 . . . . A 9 THR HA . 34518 1 115 . 1 . 1 9 9 THR HB H 1 4.229 0.020 . 1 . . . . A 9 THR HB . 34518 1 116 . 1 . 1 9 9 THR HG21 H 1 1.218 0.020 . 1 . . . . A 9 THR HG21 . 34518 1 117 . 1 . 1 9 9 THR HG22 H 1 1.218 0.020 . 1 . . . . A 9 THR HG22 . 34518 1 118 . 1 . 1 9 9 THR HG23 H 1 1.218 0.020 . 1 . . . . A 9 THR HG23 . 34518 1 119 . 1 . 1 9 9 THR C C 13 175.898 0.400 . 1 . . . . A 9 THR C . 34518 1 120 . 1 . 1 9 9 THR CA C 13 64.137 0.400 . 1 . . . . A 9 THR CA . 34518 1 121 . 1 . 1 9 9 THR CB C 13 69.250 0.400 . 1 . . . . A 9 THR CB . 34518 1 122 . 1 . 1 9 9 THR CG2 C 13 22.088 0.400 . 1 . . . . A 9 THR CG2 . 34518 1 123 . 1 . 1 9 9 THR N N 15 115.432 0.400 . 1 . . . . A 9 THR N . 34518 1 124 . 1 . 1 10 10 GLY H H 1 8.555 0.020 . 1 . . . . A 10 GLY H . 34518 1 125 . 1 . 1 10 10 GLY HA2 H 1 3.876 0.020 . 2 . . . . A 10 GLY HA2 . 34518 1 126 . 1 . 1 10 10 GLY HA3 H 1 4.091 0.020 . 2 . . . . A 10 GLY HA3 . 34518 1 127 . 1 . 1 10 10 GLY C C 13 174.874 0.400 . 1 . . . . A 10 GLY C . 34518 1 128 . 1 . 1 10 10 GLY CA C 13 46.546 0.400 . 1 . . . . A 10 GLY CA . 34518 1 129 . 1 . 1 10 10 GLY N N 15 110.705 0.400 . 1 . . . . A 10 GLY N . 34518 1 130 . 1 . 1 11 11 ASP H H 1 8.163 0.020 . 1 . . . . A 11 ASP H . 34518 1 131 . 1 . 1 11 11 ASP HA H 1 4.570 0.020 . 1 . . . . A 11 ASP HA . 34518 1 132 . 1 . 1 11 11 ASP HB2 H 1 2.739 0.020 . 2 . . . . A 11 ASP HB2 . 34518 1 133 . 1 . 1 11 11 ASP HB3 H 1 2.740 0.020 . 2 . . . . A 11 ASP HB3 . 34518 1 134 . 1 . 1 11 11 ASP C C 13 178.105 0.400 . 1 . . . . A 11 ASP C . 34518 1 135 . 1 . 1 11 11 ASP CA C 13 55.881 0.400 . 1 . . . . A 11 ASP CA . 34518 1 136 . 1 . 1 11 11 ASP CB C 13 40.961 0.400 . 1 . . . . A 11 ASP CB . 34518 1 137 . 1 . 1 11 11 ASP N N 15 121.537 0.400 . 1 . . . . A 11 ASP N . 34518 1 138 . 1 . 1 12 12 GLU H H 1 8.683 0.020 . 1 . . . . A 12 GLU H . 34518 1 139 . 1 . 1 12 12 GLU HA H 1 4.044 0.020 . 1 . . . . A 12 GLU HA . 34518 1 140 . 1 . 1 12 12 GLU HB2 H 1 2.094 0.020 . 2 . . . . A 12 GLU HB2 . 34518 1 141 . 1 . 1 12 12 GLU HB3 H 1 2.140 0.020 . 2 . . . . A 12 GLU HB3 . 34518 1 142 . 1 . 1 12 12 GLU HG2 H 1 2.316 0.020 . 2 . . . . A 12 GLU HG2 . 34518 1 143 . 1 . 1 12 12 GLU HG3 H 1 2.435 0.020 . 2 . . . . A 12 GLU HG3 . 34518 1 144 . 1 . 1 12 12 GLU C C 13 179.132 0.400 . 1 . . . . A 12 GLU C . 34518 1 145 . 1 . 1 12 12 GLU CA C 13 59.419 0.400 . 1 . . . . A 12 GLU CA . 34518 1 146 . 1 . 1 12 12 GLU CB C 13 29.589 0.400 . 1 . . . . A 12 GLU CB . 34518 1 147 . 1 . 1 12 12 GLU CG C 13 36.787 0.400 . 1 . . . . A 12 GLU CG . 34518 1 148 . 1 . 1 12 12 GLU N N 15 120.836 0.400 . 1 . . . . A 12 GLU N . 34518 1 149 . 1 . 1 13 13 LEU H H 1 8.303 0.020 . 1 . . . . A 13 LEU H . 34518 1 150 . 1 . 1 13 13 LEU HA H 1 4.134 0.020 . 1 . . . . A 13 LEU HA . 34518 1 151 . 1 . 1 13 13 LEU HB2 H 1 1.824 0.020 . 2 . . . . A 13 LEU HB2 . 34518 1 152 . 1 . 1 13 13 LEU HB3 H 1 1.672 0.020 . 2 . . . . A 13 LEU HB3 . 34518 1 153 . 1 . 1 13 13 LEU HG H 1 1.665 0.020 . 1 . . . . A 13 LEU HG . 34518 1 154 . 1 . 1 13 13 LEU HD11 H 1 0.777 0.020 . 2 . . . . A 13 LEU HD11 . 34518 1 155 . 1 . 1 13 13 LEU HD12 H 1 0.777 0.020 . 2 . . . . A 13 LEU HD12 . 34518 1 156 . 1 . 1 13 13 LEU HD13 H 1 0.777 0.020 . 2 . . . . A 13 LEU HD13 . 34518 1 157 . 1 . 1 13 13 LEU HD21 H 1 0.778 0.020 . 2 . . . . A 13 LEU HD21 . 34518 1 158 . 1 . 1 13 13 LEU HD22 H 1 0.778 0.020 . 2 . . . . A 13 LEU HD22 . 34518 1 159 . 1 . 1 13 13 LEU HD23 H 1 0.778 0.020 . 2 . . . . A 13 LEU HD23 . 34518 1 160 . 1 . 1 13 13 LEU C C 13 178.453 0.400 . 1 . . . . A 13 LEU C . 34518 1 161 . 1 . 1 13 13 LEU CA C 13 57.557 0.400 . 1 . . . . A 13 LEU CA . 34518 1 162 . 1 . 1 13 13 LEU CB C 13 41.908 0.400 . 1 . . . . A 13 LEU CB . 34518 1 163 . 1 . 1 13 13 LEU CG C 13 27.165 0.400 . 1 . . . . A 13 LEU CG . 34518 1 164 . 1 . 1 13 13 LEU CD1 C 13 24.864 0.400 . 2 . . . . A 13 LEU CD1 . 34518 1 165 . 1 . 1 13 13 LEU CD2 C 13 25.078 0.400 . 2 . . . . A 13 LEU CD2 . 34518 1 166 . 1 . 1 13 13 LEU N N 15 121.451 0.400 . 1 . . . . A 13 LEU N . 34518 1 167 . 1 . 1 14 14 VAL H H 1 7.843 0.020 . 1 . . . . A 14 VAL H . 34518 1 168 . 1 . 1 14 14 VAL HA H 1 3.818 0.020 . 1 . . . . A 14 VAL HA . 34518 1 169 . 1 . 1 14 14 VAL HB H 1 2.204 0.020 . 1 . . . . A 14 VAL HB . 34518 1 170 . 1 . 1 14 14 VAL HG11 H 1 0.959 0.020 . 2 . . . . A 14 VAL HG11 . 34518 1 171 . 1 . 1 14 14 VAL HG12 H 1 0.959 0.020 . 2 . . . . A 14 VAL HG12 . 34518 1 172 . 1 . 1 14 14 VAL HG13 H 1 0.959 0.020 . 2 . . . . A 14 VAL HG13 . 34518 1 173 . 1 . 1 14 14 VAL HG21 H 1 1.060 0.020 . 2 . . . . A 14 VAL HG21 . 34518 1 174 . 1 . 1 14 14 VAL HG22 H 1 1.060 0.020 . 2 . . . . A 14 VAL HG22 . 34518 1 175 . 1 . 1 14 14 VAL HG23 H 1 1.060 0.020 . 2 . . . . A 14 VAL HG23 . 34518 1 176 . 1 . 1 14 14 VAL C C 13 178.611 0.400 . 1 . . . . A 14 VAL C . 34518 1 177 . 1 . 1 14 14 VAL CA C 13 65.959 0.400 . 1 . . . . A 14 VAL CA . 34518 1 178 . 1 . 1 14 14 VAL CB C 13 31.823 0.400 . 1 . . . . A 14 VAL CB . 34518 1 179 . 1 . 1 14 14 VAL CG1 C 13 21.122 0.400 . 2 . . . . A 14 VAL CG1 . 34518 1 180 . 1 . 1 14 14 VAL CG2 C 13 22.390 0.400 . 2 . . . . A 14 VAL CG2 . 34518 1 181 . 1 . 1 14 14 VAL N N 15 120.792 0.400 . 1 . . . . A 14 VAL N . 34518 1 182 . 1 . 1 15 15 GLN H H 1 8.079 0.020 . 1 . . . . A 15 GLN H . 34518 1 183 . 1 . 1 15 15 GLN HA H 1 4.110 0.020 . 1 . . . . A 15 GLN HA . 34518 1 184 . 1 . 1 15 15 GLN HB2 H 1 2.148 0.020 . 2 . . . . A 15 GLN HB2 . 34518 1 185 . 1 . 1 15 15 GLN HB3 H 1 2.158 0.020 . 2 . . . . A 15 GLN HB3 . 34518 1 186 . 1 . 1 15 15 GLN HG2 H 1 2.428 0.020 . 2 . . . . A 15 GLN HG2 . 34518 1 187 . 1 . 1 15 15 GLN HG3 H 1 2.435 0.020 . 2 . . . . A 15 GLN HG3 . 34518 1 188 . 1 . 1 15 15 GLN HE21 H 1 7.715 0.020 . 2 . . . . A 15 GLN HE21 . 34518 1 189 . 1 . 1 15 15 GLN HE22 H 1 6.879 0.020 . 2 . . . . A 15 GLN HE22 . 34518 1 190 . 1 . 1 15 15 GLN C C 13 178.332 0.400 . 1 . . . . A 15 GLN C . 34518 1 191 . 1 . 1 15 15 GLN CA C 13 58.525 0.400 . 1 . . . . A 15 GLN CA . 34518 1 192 . 1 . 1 15 15 GLN CB C 13 28.289 0.400 . 1 . . . . A 15 GLN CB . 34518 1 193 . 1 . 1 15 15 GLN CG C 13 33.960 0.400 . 1 . . . . A 15 GLN CG . 34518 1 194 . 1 . 1 15 15 GLN N N 15 119.007 0.400 . 1 . . . . A 15 GLN N . 34518 1 195 . 1 . 1 15 15 GLN NE2 N 15 112.725 0.400 . 1 . . . . A 15 GLN NE2 . 34518 1 196 . 1 . 1 16 16 ALA H H 1 8.088 0.020 . 1 . . . . A 16 ALA H . 34518 1 197 . 1 . 1 16 16 ALA HA H 1 4.069 0.020 . 1 . . . . A 16 ALA HA . 34518 1 198 . 1 . 1 16 16 ALA HB1 H 1 1.390 0.020 . 1 . . . . A 16 ALA HB1 . 34518 1 199 . 1 . 1 16 16 ALA HB2 H 1 1.390 0.020 . 1 . . . . A 16 ALA HB2 . 34518 1 200 . 1 . 1 16 16 ALA HB3 H 1 1.390 0.020 . 1 . . . . A 16 ALA HB3 . 34518 1 201 . 1 . 1 16 16 ALA C C 13 178.959 0.400 . 1 . . . . A 16 ALA C . 34518 1 202 . 1 . 1 16 16 ALA CA C 13 55.378 0.400 . 1 . . . . A 16 ALA CA . 34518 1 203 . 1 . 1 16 16 ALA CB C 13 18.240 0.400 . 1 . . . . A 16 ALA CB . 34518 1 204 . 1 . 1 16 16 ALA N N 15 122.957 0.400 . 1 . . . . A 16 ALA N . 34518 1 205 . 1 . 1 17 17 GLU H H 1 8.393 0.020 . 1 . . . . A 17 GLU H . 34518 1 206 . 1 . 1 17 17 GLU HA H 1 3.783 0.020 . 1 . . . . A 17 GLU HA . 34518 1 207 . 1 . 1 17 17 GLU HB2 H 1 2.161 0.020 . 2 . . . . A 17 GLU HB2 . 34518 1 208 . 1 . 1 17 17 GLU HB3 H 1 2.160 0.020 . 2 . . . . A 17 GLU HB3 . 34518 1 209 . 1 . 1 17 17 GLU HG2 H 1 2.170 0.020 . 2 . . . . A 17 GLU HG2 . 34518 1 210 . 1 . 1 17 17 GLU HG3 H 1 2.415 0.020 . 2 . . . . A 17 GLU HG3 . 34518 1 211 . 1 . 1 17 17 GLU C C 13 178.404 0.400 . 1 . . . . A 17 GLU C . 34518 1 212 . 1 . 1 17 17 GLU CA C 13 60.083 0.400 . 1 . . . . A 17 GLU CA . 34518 1 213 . 1 . 1 17 17 GLU CB C 13 29.292 0.400 . 1 . . . . A 17 GLU CB . 34518 1 214 . 1 . 1 17 17 GLU CG C 13 36.253 0.400 . 1 . . . . A 17 GLU CG . 34518 1 215 . 1 . 1 17 17 GLU N N 15 117.890 0.400 . 1 . . . . A 17 GLU N . 34518 1 216 . 1 . 1 18 18 GLN H H 1 7.978 0.020 . 1 . . . . A 18 GLN H . 34518 1 217 . 1 . 1 18 18 GLN HA H 1 4.056 0.020 . 1 . . . . A 18 GLN HA . 34518 1 218 . 1 . 1 18 18 GLN HB2 H 1 2.163 0.020 . 2 . . . . A 18 GLN HB2 . 34518 1 219 . 1 . 1 18 18 GLN HB3 H 1 2.211 0.020 . 2 . . . . A 18 GLN HB3 . 34518 1 220 . 1 . 1 18 18 GLN HG2 H 1 2.454 0.020 . 2 . . . . A 18 GLN HG2 . 34518 1 221 . 1 . 1 18 18 GLN HG3 H 1 2.469 0.020 . 2 . . . . A 18 GLN HG3 . 34518 1 222 . 1 . 1 18 18 GLN HE21 H 1 7.811 0.020 . 2 . . . . A 18 GLN HE21 . 34518 1 223 . 1 . 1 18 18 GLN HE22 H 1 6.869 0.020 . 2 . . . . A 18 GLN HE22 . 34518 1 224 . 1 . 1 18 18 GLN C C 13 178.860 0.400 . 1 . . . . A 18 GLN C . 34518 1 225 . 1 . 1 18 18 GLN CA C 13 58.791 0.400 . 1 . . . . A 18 GLN CA . 34518 1 226 . 1 . 1 18 18 GLN CB C 13 28.030 0.400 . 1 . . . . A 18 GLN CB . 34518 1 227 . 1 . 1 18 18 GLN CG C 13 33.359 0.400 . 1 . . . . A 18 GLN CG . 34518 1 228 . 1 . 1 18 18 GLN N N 15 118.148 0.400 . 1 . . . . A 18 GLN N . 34518 1 229 . 1 . 1 18 18 GLN NE2 N 15 112.343 0.400 . 1 . . . . A 18 GLN NE2 . 34518 1 230 . 1 . 1 19 19 ARG H H 1 8.082 0.020 . 1 . . . . A 19 ARG H . 34518 1 231 . 1 . 1 19 19 ARG HA H 1 3.958 0.020 . 1 . . . . A 19 ARG HA . 34518 1 232 . 1 . 1 19 19 ARG HB2 H 1 1.940 0.020 . 2 . . . . A 19 ARG HB2 . 34518 1 233 . 1 . 1 19 19 ARG HB3 H 1 1.961 0.020 . 2 . . . . A 19 ARG HB3 . 34518 1 234 . 1 . 1 19 19 ARG HG2 H 1 1.679 0.020 . 2 . . . . A 19 ARG HG2 . 34518 1 235 . 1 . 1 19 19 ARG HG3 H 1 1.865 0.020 . 2 . . . . A 19 ARG HG3 . 34518 1 236 . 1 . 1 19 19 ARG HD2 H 1 3.197 0.020 . 2 . . . . A 19 ARG HD2 . 34518 1 237 . 1 . 1 19 19 ARG HD3 H 1 3.282 0.020 . 2 . . . . A 19 ARG HD3 . 34518 1 238 . 1 . 1 19 19 ARG HE H 1 8.072 0.020 . 1 . . . . A 19 ARG HE . 34518 1 239 . 1 . 1 19 19 ARG C C 13 178.799 0.400 . 1 . . . . A 19 ARG C . 34518 1 240 . 1 . 1 19 19 ARG CA C 13 59.138 0.400 . 1 . . . . A 19 ARG CA . 34518 1 241 . 1 . 1 19 19 ARG CB C 13 30.078 0.400 . 1 . . . . A 19 ARG CB . 34518 1 242 . 1 . 1 19 19 ARG CG C 13 27.792 0.400 . 1 . . . . A 19 ARG CG . 34518 1 243 . 1 . 1 19 19 ARG CD C 13 43.469 0.400 . 1 . . . . A 19 ARG CD . 34518 1 244 . 1 . 1 19 19 ARG N N 15 120.194 0.400 . 1 . . . . A 19 ARG N . 34518 1 245 . 1 . 1 20 20 LEU H H 1 8.263 0.020 . 1 . . . . A 20 LEU H . 34518 1 246 . 1 . 1 20 20 LEU HA H 1 3.958 0.020 . 1 . . . . A 20 LEU HA . 34518 1 247 . 1 . 1 20 20 LEU HB2 H 1 1.685 0.020 . 2 . . . . A 20 LEU HB2 . 34518 1 248 . 1 . 1 20 20 LEU HB3 H 1 1.777 0.020 . 2 . . . . A 20 LEU HB3 . 34518 1 249 . 1 . 1 20 20 LEU HG H 1 1.609 0.020 . 1 . . . . A 20 LEU HG . 34518 1 250 . 1 . 1 20 20 LEU HD11 H 1 0.638 0.020 . 2 . . . . A 20 LEU HD11 . 34518 1 251 . 1 . 1 20 20 LEU HD12 H 1 0.638 0.020 . 2 . . . . A 20 LEU HD12 . 34518 1 252 . 1 . 1 20 20 LEU HD13 H 1 0.638 0.020 . 2 . . . . A 20 LEU HD13 . 34518 1 253 . 1 . 1 20 20 LEU HD21 H 1 0.908 0.020 . 2 . . . . A 20 LEU HD21 . 34518 1 254 . 1 . 1 20 20 LEU HD22 H 1 0.908 0.020 . 2 . . . . A 20 LEU HD22 . 34518 1 255 . 1 . 1 20 20 LEU HD23 H 1 0.908 0.020 . 2 . . . . A 20 LEU HD23 . 34518 1 256 . 1 . 1 20 20 LEU C C 13 178.188 0.400 . 1 . . . . A 20 LEU C . 34518 1 257 . 1 . 1 20 20 LEU CA C 13 58.442 0.400 . 1 . . . . A 20 LEU CA . 34518 1 258 . 1 . 1 20 20 LEU CB C 13 41.879 0.400 . 1 . . . . A 20 LEU CB . 34518 1 259 . 1 . 1 20 20 LEU CG C 13 27.124 0.400 . 1 . . . . A 20 LEU CG . 34518 1 260 . 1 . 1 20 20 LEU CD1 C 13 25.240 0.400 . 2 . . . . A 20 LEU CD1 . 34518 1 261 . 1 . 1 20 20 LEU CD2 C 13 25.064 0.400 . 2 . . . . A 20 LEU CD2 . 34518 1 262 . 1 . 1 20 20 LEU N N 15 119.777 0.400 . 1 . . . . A 20 LEU N . 34518 1 263 . 1 . 1 21 21 ARG H H 1 8.021 0.020 . 1 . . . . A 21 ARG H . 34518 1 264 . 1 . 1 21 21 ARG HA H 1 3.948 0.020 . 1 . . . . A 21 ARG HA . 34518 1 265 . 1 . 1 21 21 ARG HB2 H 1 1.970 0.020 . 2 . . . . A 21 ARG HB2 . 34518 1 266 . 1 . 1 21 21 ARG HB3 H 1 1.970 0.020 . 2 . . . . A 21 ARG HB3 . 34518 1 267 . 1 . 1 21 21 ARG HG2 H 1 1.628 0.020 . 2 . . . . A 21 ARG HG2 . 34518 1 268 . 1 . 1 21 21 ARG HG3 H 1 1.871 0.020 . 2 . . . . A 21 ARG HG3 . 34518 1 269 . 1 . 1 21 21 ARG HD2 H 1 3.198 0.020 . 2 . . . . A 21 ARG HD2 . 34518 1 270 . 1 . 1 21 21 ARG HD3 H 1 3.259 0.020 . 2 . . . . A 21 ARG HD3 . 34518 1 271 . 1 . 1 21 21 ARG HE H 1 8.019 0.020 . 1 . . . . A 21 ARG HE . 34518 1 272 . 1 . 1 21 21 ARG C C 13 178.574 0.400 . 1 . . . . A 21 ARG C . 34518 1 273 . 1 . 1 21 21 ARG CA C 13 60.058 0.400 . 1 . . . . A 21 ARG CA . 34518 1 274 . 1 . 1 21 21 ARG CB C 13 29.966 0.400 . 1 . . . . A 21 ARG CB . 34518 1 275 . 1 . 1 21 21 ARG CG C 13 28.542 0.400 . 1 . . . . A 21 ARG CG . 34518 1 276 . 1 . 1 21 21 ARG CD C 13 43.319 0.400 . 1 . . . . A 21 ARG CD . 34518 1 277 . 1 . 1 21 21 ARG N N 15 117.389 0.400 . 1 . . . . A 21 ARG N . 34518 1 278 . 1 . 1 22 22 GLU H H 1 7.991 0.020 . 1 . . . . A 22 GLU H . 34518 1 279 . 1 . 1 22 22 GLU HA H 1 4.179 0.020 . 1 . . . . A 22 GLU HA . 34518 1 280 . 1 . 1 22 22 GLU HB2 H 1 2.191 0.020 . 2 . . . . A 22 GLU HB2 . 34518 1 281 . 1 . 1 22 22 GLU HB3 H 1 2.239 0.020 . 2 . . . . A 22 GLU HB3 . 34518 1 282 . 1 . 1 22 22 GLU HG2 H 1 2.483 0.020 . 2 . . . . A 22 GLU HG2 . 34518 1 283 . 1 . 1 22 22 GLU HG3 H 1 2.497 0.020 . 2 . . . . A 22 GLU HG3 . 34518 1 284 . 1 . 1 22 22 GLU C C 13 179.180 0.400 . 1 . . . . A 22 GLU C . 34518 1 285 . 1 . 1 22 22 GLU CA C 13 59.375 0.400 . 1 . . . . A 22 GLU CA . 34518 1 286 . 1 . 1 22 22 GLU CB C 13 29.665 0.400 . 1 . . . . A 22 GLU CB . 34518 1 287 . 1 . 1 22 22 GLU CG C 13 36.438 0.400 . 1 . . . . A 22 GLU CG . 34518 1 288 . 1 . 1 22 22 GLU N N 15 119.424 0.400 . 1 . . . . A 22 GLU N . 34518 1 289 . 1 . 1 23 23 ILE H H 1 8.222 0.020 . 1 . . . . A 23 ILE H . 34518 1 290 . 1 . 1 23 23 ILE HA H 1 3.809 0.020 . 1 . . . . A 23 ILE HA . 34518 1 291 . 1 . 1 23 23 ILE HB H 1 2.047 0.020 . 1 . . . . A 23 ILE HB . 34518 1 292 . 1 . 1 23 23 ILE HG12 H 1 1.247 0.020 . 2 . . . . A 23 ILE HG12 . 34518 1 293 . 1 . 1 23 23 ILE HG13 H 1 1.247 0.020 . 2 . . . . A 23 ILE HG13 . 34518 1 294 . 1 . 1 23 23 ILE HG21 H 1 0.849 0.020 . 1 . . . . A 23 ILE HG21 . 34518 1 295 . 1 . 1 23 23 ILE HG22 H 1 0.849 0.020 . 1 . . . . A 23 ILE HG22 . 34518 1 296 . 1 . 1 23 23 ILE HG23 H 1 0.849 0.020 . 1 . . . . A 23 ILE HG23 . 34518 1 297 . 1 . 1 23 23 ILE HD11 H 1 0.765 0.020 . 1 . . . . A 23 ILE HD11 . 34518 1 298 . 1 . 1 23 23 ILE HD12 H 1 0.765 0.020 . 1 . . . . A 23 ILE HD12 . 34518 1 299 . 1 . 1 23 23 ILE HD13 H 1 0.765 0.020 . 1 . . . . A 23 ILE HD13 . 34518 1 300 . 1 . 1 23 23 ILE C C 13 178.984 0.400 . 1 . . . . A 23 ILE C . 34518 1 301 . 1 . 1 23 23 ILE CA C 13 64.848 0.400 . 1 . . . . A 23 ILE CA . 34518 1 302 . 1 . 1 23 23 ILE CB C 13 38.111 0.400 . 1 . . . . A 23 ILE CB . 34518 1 303 . 1 . 1 23 23 ILE CG1 C 13 29.281 0.400 . 1 . . . . A 23 ILE CG1 . 34518 1 304 . 1 . 1 23 23 ILE CG2 C 13 18.229 0.400 . 1 . . . . A 23 ILE CG2 . 34518 1 305 . 1 . 1 23 23 ILE CD1 C 13 14.473 0.400 . 1 . . . . A 23 ILE CD1 . 34518 1 306 . 1 . 1 23 23 ILE N N 15 119.641 0.400 . 1 . . . . A 23 ILE N . 34518 1 307 . 1 . 1 24 24 PHE H H 1 8.231 0.020 . 1 . . . . A 24 PHE H . 34518 1 308 . 1 . 1 24 24 PHE HA H 1 4.240 0.020 . 1 . . . . A 24 PHE HA . 34518 1 309 . 1 . 1 24 24 PHE HB2 H 1 3.165 0.020 . 2 . . . . A 24 PHE HB2 . 34518 1 310 . 1 . 1 24 24 PHE HB3 H 1 3.271 0.020 . 2 . . . . A 24 PHE HB3 . 34518 1 311 . 1 . 1 24 24 PHE HD1 H 1 7.359 0.020 . 1 . . . . A 24 PHE HD1 . 34518 1 312 . 1 . 1 24 24 PHE HD2 H 1 7.359 0.020 . 1 . . . . A 24 PHE HD2 . 34518 1 313 . 1 . 1 24 24 PHE HE1 H 1 7.251 0.020 . 1 . . . . A 24 PHE HE1 . 34518 1 314 . 1 . 1 24 24 PHE HE2 H 1 7.252 0.020 . 1 . . . . A 24 PHE HE2 . 34518 1 315 . 1 . 1 24 24 PHE HZ H 1 7.236 0.020 . 1 . . . . A 24 PHE HZ . 34518 1 316 . 1 . 1 24 24 PHE C C 13 178.463 0.400 . 1 . . . . A 24 PHE C . 34518 1 317 . 1 . 1 24 24 PHE CA C 13 61.277 0.400 . 1 . . . . A 24 PHE CA . 34518 1 318 . 1 . 1 24 24 PHE CB C 13 39.182 0.400 . 1 . . . . A 24 PHE CB . 34518 1 319 . 1 . 1 24 24 PHE CD1 C 13 131.817 0.400 . 3 . . . . A 24 PHE CD1 . 34518 1 320 . 1 . 1 24 24 PHE CD2 C 13 131.716 0.400 . 3 . . . . A 24 PHE CD2 . 34518 1 321 . 1 . 1 24 24 PHE CE1 C 13 131.689 0.400 . 3 . . . . A 24 PHE CE1 . 34518 1 322 . 1 . 1 24 24 PHE CE2 C 13 131.594 0.400 . 3 . . . . A 24 PHE CE2 . 34518 1 323 . 1 . 1 24 24 PHE CZ C 13 129.405 0.400 . 1 . . . . A 24 PHE CZ . 34518 1 324 . 1 . 1 24 24 PHE N N 15 119.634 0.400 . 1 . . . . A 24 PHE N . 34518 1 325 . 1 . 1 25 25 ASP H H 1 8.305 0.020 . 1 . . . . A 25 ASP H . 34518 1 326 . 1 . 1 25 25 ASP HA H 1 4.431 0.020 . 1 . . . . A 25 ASP HA . 34518 1 327 . 1 . 1 25 25 ASP HB2 H 1 2.718 0.020 . 2 . . . . A 25 ASP HB2 . 34518 1 328 . 1 . 1 25 25 ASP HB3 H 1 2.852 0.020 . 2 . . . . A 25 ASP HB3 . 34518 1 329 . 1 . 1 25 25 ASP C C 13 178.118 0.400 . 1 . . . . A 25 ASP C . 34518 1 330 . 1 . 1 25 25 ASP CA C 13 57.339 0.400 . 1 . . . . A 25 ASP CA . 34518 1 331 . 1 . 1 25 25 ASP CB C 13 41.014 0.400 . 1 . . . . A 25 ASP CB . 34518 1 332 . 1 . 1 25 25 ASP N N 15 119.596 0.400 . 1 . . . . A 25 ASP N . 34518 1 333 . 1 . 1 26 26 LYS H H 1 7.886 0.020 . 1 . . . . A 26 LYS H . 34518 1 334 . 1 . 1 26 26 LYS HA H 1 4.316 0.020 . 1 . . . . A 26 LYS HA . 34518 1 335 . 1 . 1 26 26 LYS HB2 H 1 1.916 0.020 . 2 . . . . A 26 LYS HB2 . 34518 1 336 . 1 . 1 26 26 LYS HB3 H 1 2.004 0.020 . 2 . . . . A 26 LYS HB3 . 34518 1 337 . 1 . 1 26 26 LYS HG2 H 1 1.599 0.020 . 2 . . . . A 26 LYS HG2 . 34518 1 338 . 1 . 1 26 26 LYS HG3 H 1 1.695 0.020 . 2 . . . . A 26 LYS HG3 . 34518 1 339 . 1 . 1 26 26 LYS HD2 H 1 1.717 0.020 . 2 . . . . A 26 LYS HD2 . 34518 1 340 . 1 . 1 26 26 LYS HD3 H 1 1.724 0.020 . 2 . . . . A 26 LYS HD3 . 34518 1 341 . 1 . 1 26 26 LYS HE2 H 1 3.008 0.020 . 2 . . . . A 26 LYS HE2 . 34518 1 342 . 1 . 1 26 26 LYS HE3 H 1 3.010 0.020 . 2 . . . . A 26 LYS HE3 . 34518 1 343 . 1 . 1 26 26 LYS C C 13 177.666 0.400 . 1 . . . . A 26 LYS C . 34518 1 344 . 1 . 1 26 26 LYS CA C 13 56.534 0.400 . 1 . . . . A 26 LYS CA . 34518 1 345 . 1 . 1 26 26 LYS CB C 13 33.322 0.400 . 1 . . . . A 26 LYS CB . 34518 1 346 . 1 . 1 26 26 LYS CG C 13 25.427 0.400 . 1 . . . . A 26 LYS CG . 34518 1 347 . 1 . 1 26 26 LYS CD C 13 29.124 0.400 . 1 . . . . A 26 LYS CD . 34518 1 348 . 1 . 1 26 26 LYS CE C 13 42.203 0.400 . 1 . . . . A 26 LYS CE . 34518 1 349 . 1 . 1 26 26 LYS N N 15 115.196 0.400 . 1 . . . . A 26 LYS N . 34518 1 350 . 1 . 1 27 27 GLY H H 1 8.029 0.020 . 1 . . . . A 27 GLY H . 34518 1 351 . 1 . 1 27 27 GLY HA2 H 1 3.910 0.020 . 2 . . . . A 27 GLY HA2 . 34518 1 352 . 1 . 1 27 27 GLY HA3 H 1 3.990 0.020 . 2 . . . . A 27 GLY HA3 . 34518 1 353 . 1 . 1 27 27 GLY C C 13 174.296 0.400 . 1 . . . . A 27 GLY C . 34518 1 354 . 1 . 1 27 27 GLY CA C 13 46.394 0.400 . 1 . . . . A 27 GLY CA . 34518 1 355 . 1 . 1 27 27 GLY N N 15 109.082 0.400 . 1 . . . . A 27 GLY N . 34518 1 356 . 1 . 1 28 28 ASP H H 1 7.845 0.020 . 1 . . . . A 28 ASP H . 34518 1 357 . 1 . 1 28 28 ASP HA H 1 4.816 0.020 . 1 . . . . A 28 ASP HA . 34518 1 358 . 1 . 1 28 28 ASP HB2 H 1 2.586 0.020 . 2 . . . . A 28 ASP HB2 . 34518 1 359 . 1 . 1 28 28 ASP HB3 H 1 2.837 0.020 . 2 . . . . A 28 ASP HB3 . 34518 1 360 . 1 . 1 28 28 ASP C C 13 175.589 0.400 . 1 . . . . A 28 ASP C . 34518 1 361 . 1 . 1 28 28 ASP CA C 13 52.652 0.400 . 1 . . . . A 28 ASP CA . 34518 1 362 . 1 . 1 28 28 ASP CB C 13 40.920 0.400 . 1 . . . . A 28 ASP CB . 34518 1 363 . 1 . 1 28 28 ASP N N 15 119.035 0.400 . 1 . . . . A 28 ASP N . 34518 1 364 . 1 . 1 29 29 ASP H H 1 8.363 0.020 . 1 . . . . A 29 ASP H . 34518 1 365 . 1 . 1 29 29 ASP HA H 1 4.519 0.020 . 1 . . . . A 29 ASP HA . 34518 1 366 . 1 . 1 29 29 ASP HB2 H 1 2.710 0.020 . 2 . . . . A 29 ASP HB2 . 34518 1 367 . 1 . 1 29 29 ASP HB3 H 1 2.726 0.020 . 2 . . . . A 29 ASP HB3 . 34518 1 368 . 1 . 1 29 29 ASP C C 13 178.339 0.400 . 1 . . . . A 29 ASP C . 34518 1 369 . 1 . 1 29 29 ASP CA C 13 56.670 0.400 . 1 . . . . A 29 ASP CA . 34518 1 370 . 1 . 1 29 29 ASP CB C 13 40.701 0.400 . 1 . . . . A 29 ASP CB . 34518 1 371 . 1 . 1 29 29 ASP N N 15 122.706 0.400 . 1 . . . . A 29 ASP N . 34518 1 372 . 1 . 1 30 30 ASP H H 1 7.868 0.020 . 1 . . . . A 30 ASP H . 34518 1 373 . 1 . 1 30 30 ASP HA H 1 4.468 0.020 . 1 . . . . A 30 ASP HA . 34518 1 374 . 1 . 1 30 30 ASP HB2 H 1 2.720 0.020 . 2 . . . . A 30 ASP HB2 . 34518 1 375 . 1 . 1 30 30 ASP HB3 H 1 2.761 0.020 . 2 . . . . A 30 ASP HB3 . 34518 1 376 . 1 . 1 30 30 ASP C C 13 179.261 0.400 . 1 . . . . A 30 ASP C . 34518 1 377 . 1 . 1 30 30 ASP CA C 13 57.436 0.400 . 1 . . . . A 30 ASP CA . 34518 1 378 . 1 . 1 30 30 ASP CB C 13 40.412 0.400 . 1 . . . . A 30 ASP CB . 34518 1 379 . 1 . 1 30 30 ASP N N 15 115.171 0.400 . 1 . . . . A 30 ASP N . 34518 1 380 . 1 . 1 31 31 SER H H 1 7.871 0.020 . 1 . . . . A 31 SER H . 34518 1 381 . 1 . 1 31 31 SER HA H 1 4.475 0.020 . 1 . . . . A 31 SER HA . 34518 1 382 . 1 . 1 31 31 SER HB2 H 1 3.904 0.020 . 2 . . . . A 31 SER HB2 . 34518 1 383 . 1 . 1 31 31 SER HB3 H 1 3.905 0.020 . 2 . . . . A 31 SER HB3 . 34518 1 384 . 1 . 1 31 31 SER C C 13 175.484 0.400 . 1 . . . . A 31 SER C . 34518 1 385 . 1 . 1 31 31 SER CA C 13 60.445 0.400 . 1 . . . . A 31 SER CA . 34518 1 386 . 1 . 1 31 31 SER CB C 13 63.252 0.400 . 1 . . . . A 31 SER CB . 34518 1 387 . 1 . 1 31 31 SER N N 15 115.933 0.400 . 1 . . . . A 31 SER N . 34518 1 388 . 1 . 1 32 32 LEU H H 1 7.866 0.020 . 1 . . . . A 32 LEU H . 34518 1 389 . 1 . 1 32 32 LEU HA H 1 3.951 0.020 . 1 . . . . A 32 LEU HA . 34518 1 390 . 1 . 1 32 32 LEU HB2 H 1 1.675 0.020 . 2 . . . . A 32 LEU HB2 . 34518 1 391 . 1 . 1 32 32 LEU HB3 H 1 1.832 0.020 . 2 . . . . A 32 LEU HB3 . 34518 1 392 . 1 . 1 32 32 LEU HG H 1 1.611 0.020 . 1 . . . . A 32 LEU HG . 34518 1 393 . 1 . 1 32 32 LEU HD11 H 1 0.900 0.020 . 2 . . . . A 32 LEU HD11 . 34518 1 394 . 1 . 1 32 32 LEU HD12 H 1 0.900 0.020 . 2 . . . . A 32 LEU HD12 . 34518 1 395 . 1 . 1 32 32 LEU HD13 H 1 0.900 0.020 . 2 . . . . A 32 LEU HD13 . 34518 1 396 . 1 . 1 32 32 LEU HD21 H 1 0.933 0.020 . 2 . . . . A 32 LEU HD21 . 34518 1 397 . 1 . 1 32 32 LEU HD22 H 1 0.933 0.020 . 2 . . . . A 32 LEU HD22 . 34518 1 398 . 1 . 1 32 32 LEU HD23 H 1 0.933 0.020 . 2 . . . . A 32 LEU HD23 . 34518 1 399 . 1 . 1 32 32 LEU C C 13 177.880 0.400 . 1 . . . . A 32 LEU C . 34518 1 400 . 1 . 1 32 32 LEU CA C 13 58.462 0.400 . 1 . . . . A 32 LEU CA . 34518 1 401 . 1 . 1 32 32 LEU CB C 13 41.909 0.400 . 1 . . . . A 32 LEU CB . 34518 1 402 . 1 . 1 32 32 LEU CG C 13 27.156 0.400 . 1 . . . . A 32 LEU CG . 34518 1 403 . 1 . 1 32 32 LEU CD1 C 13 24.905 0.400 . 2 . . . . A 32 LEU CD1 . 34518 1 404 . 1 . 1 32 32 LEU CD2 C 13 25.164 0.400 . 2 . . . . A 32 LEU CD2 . 34518 1 405 . 1 . 1 32 32 LEU N N 15 122.523 0.400 . 1 . . . . A 32 LEU N . 34518 1 406 . 1 . 1 33 33 GLU H H 1 8.365 0.020 . 1 . . . . A 33 GLU H . 34518 1 407 . 1 . 1 33 33 GLU HA H 1 3.864 0.020 . 1 . . . . A 33 GLU HA . 34518 1 408 . 1 . 1 33 33 GLU HB2 H 1 2.101 0.020 . 2 . . . . A 33 GLU HB2 . 34518 1 409 . 1 . 1 33 33 GLU HB3 H 1 2.112 0.020 . 2 . . . . A 33 GLU HB3 . 34518 1 410 . 1 . 1 33 33 GLU HG2 H 1 2.346 0.020 . 2 . . . . A 33 GLU HG2 . 34518 1 411 . 1 . 1 33 33 GLU HG3 H 1 2.367 0.020 . 2 . . . . A 33 GLU HG3 . 34518 1 412 . 1 . 1 33 33 GLU C C 13 178.912 0.400 . 1 . . . . A 33 GLU C . 34518 1 413 . 1 . 1 33 33 GLU CA C 13 59.996 0.400 . 1 . . . . A 33 GLU CA . 34518 1 414 . 1 . 1 33 33 GLU CB C 13 29.010 0.400 . 1 . . . . A 33 GLU CB . 34518 1 415 . 1 . 1 33 33 GLU CG C 13 36.318 0.400 . 1 . . . . A 33 GLU CG . 34518 1 416 . 1 . 1 33 33 GLU N N 15 117.042 0.400 . 1 . . . . A 33 GLU N . 34518 1 417 . 1 . 1 34 34 GLN H H 1 7.848 0.020 . 1 . . . . A 34 GLN H . 34518 1 418 . 1 . 1 34 34 GLN HA H 1 4.111 0.020 . 1 . . . . A 34 GLN HA . 34518 1 419 . 1 . 1 34 34 GLN HB2 H 1 2.178 0.020 . 2 . . . . A 34 GLN HB2 . 34518 1 420 . 1 . 1 34 34 GLN HB3 H 1 2.201 0.020 . 2 . . . . A 34 GLN HB3 . 34518 1 421 . 1 . 1 34 34 GLN HG2 H 1 2.423 0.020 . 2 . . . . A 34 GLN HG2 . 34518 1 422 . 1 . 1 34 34 GLN HG3 H 1 2.432 0.020 . 2 . . . . A 34 GLN HG3 . 34518 1 423 . 1 . 1 34 34 GLN HE21 H 1 6.872 0.020 . 2 . . . . A 34 GLN HE21 . 34518 1 424 . 1 . 1 34 34 GLN HE22 H 1 7.705 0.020 . 2 . . . . A 34 GLN HE22 . 34518 1 425 . 1 . 1 34 34 GLN C C 13 178.320 0.400 . 1 . . . . A 34 GLN C . 34518 1 426 . 1 . 1 34 34 GLN CA C 13 58.911 0.400 . 1 . . . . A 34 GLN CA . 34518 1 427 . 1 . 1 34 34 GLN CB C 13 28.275 0.400 . 1 . . . . A 34 GLN CB . 34518 1 428 . 1 . 1 34 34 GLN CG C 13 33.981 0.400 . 1 . . . . A 34 GLN CG . 34518 1 429 . 1 . 1 34 34 GLN N N 15 118.025 0.400 . 1 . . . . A 34 GLN N . 34518 1 430 . 1 . 1 34 34 GLN NE2 N 15 112.680 0.400 . 1 . . . . A 34 GLN NE2 . 34518 1 431 . 1 . 1 35 35 VAL H H 1 7.838 0.020 . 1 . . . . A 35 VAL H . 34518 1 432 . 1 . 1 35 35 VAL HA H 1 3.901 0.020 . 1 . . . . A 35 VAL HA . 34518 1 433 . 1 . 1 35 35 VAL HB H 1 2.096 0.020 . 1 . . . . A 35 VAL HB . 34518 1 434 . 1 . 1 35 35 VAL HG11 H 1 0.936 0.020 . 2 . . . . A 35 VAL HG11 . 34518 1 435 . 1 . 1 35 35 VAL HG12 H 1 0.936 0.020 . 2 . . . . A 35 VAL HG12 . 34518 1 436 . 1 . 1 35 35 VAL HG13 H 1 0.936 0.020 . 2 . . . . A 35 VAL HG13 . 34518 1 437 . 1 . 1 35 35 VAL HG21 H 1 1.029 0.020 . 2 . . . . A 35 VAL HG21 . 34518 1 438 . 1 . 1 35 35 VAL HG22 H 1 1.029 0.020 . 2 . . . . A 35 VAL HG22 . 34518 1 439 . 1 . 1 35 35 VAL HG23 H 1 1.029 0.020 . 2 . . . . A 35 VAL HG23 . 34518 1 440 . 1 . 1 35 35 VAL C C 13 178.071 0.400 . 1 . . . . A 35 VAL C . 34518 1 441 . 1 . 1 35 35 VAL CA C 13 65.931 0.400 . 1 . . . . A 35 VAL CA . 34518 1 442 . 1 . 1 35 35 VAL CB C 13 31.351 0.400 . 1 . . . . A 35 VAL CB . 34518 1 443 . 1 . 1 35 35 VAL CG1 C 13 22.161 0.400 . 2 . . . . A 35 VAL CG1 . 34518 1 444 . 1 . 1 35 35 VAL CG2 C 13 23.465 0.400 . 2 . . . . A 35 VAL CG2 . 34518 1 445 . 1 . 1 35 35 VAL N N 15 120.181 0.400 . 1 . . . . A 35 VAL N . 34518 1 446 . 1 . 1 36 36 LEU H H 1 8.256 0.020 . 1 . . . . A 36 LEU H . 34518 1 447 . 1 . 1 36 36 LEU HA H 1 4.095 0.020 . 1 . . . . A 36 LEU HA . 34518 1 448 . 1 . 1 36 36 LEU HB2 H 1 2.046 0.020 . 2 . . . . A 36 LEU HB2 . 34518 1 449 . 1 . 1 36 36 LEU HB3 H 1 1.410 0.020 . 2 . . . . A 36 LEU HB3 . 34518 1 450 . 1 . 1 36 36 LEU HG H 1 1.788 0.020 . 1 . . . . A 36 LEU HG . 34518 1 451 . 1 . 1 36 36 LEU HD11 H 1 0.553 0.020 . 2 . . . . A 36 LEU HD11 . 34518 1 452 . 1 . 1 36 36 LEU HD12 H 1 0.553 0.020 . 2 . . . . A 36 LEU HD12 . 34518 1 453 . 1 . 1 36 36 LEU HD13 H 1 0.553 0.020 . 2 . . . . A 36 LEU HD13 . 34518 1 454 . 1 . 1 36 36 LEU HD21 H 1 0.705 0.020 . 2 . . . . A 36 LEU HD21 . 34518 1 455 . 1 . 1 36 36 LEU HD22 H 1 0.705 0.020 . 2 . . . . A 36 LEU HD22 . 34518 1 456 . 1 . 1 36 36 LEU HD23 H 1 0.705 0.020 . 2 . . . . A 36 LEU HD23 . 34518 1 457 . 1 . 1 36 36 LEU C C 13 179.333 0.400 . 1 . . . . A 36 LEU C . 34518 1 458 . 1 . 1 36 36 LEU CA C 13 58.478 0.400 . 1 . . . . A 36 LEU CA . 34518 1 459 . 1 . 1 36 36 LEU CB C 13 41.086 0.400 . 1 . . . . A 36 LEU CB . 34518 1 460 . 1 . 1 36 36 LEU CG C 13 26.513 0.400 . 1 . . . . A 36 LEU CG . 34518 1 461 . 1 . 1 36 36 LEU CD1 C 13 22.543 0.400 . 2 . . . . A 36 LEU CD1 . 34518 1 462 . 1 . 1 36 36 LEU CD2 C 13 25.636 0.400 . 2 . . . . A 36 LEU CD2 . 34518 1 463 . 1 . 1 36 36 LEU N N 15 119.802 0.400 . 1 . . . . A 36 LEU N . 34518 1 464 . 1 . 1 37 37 GLU H H 1 7.952 0.020 . 1 . . . . A 37 GLU H . 34518 1 465 . 1 . 1 37 37 GLU HA H 1 4.187 0.020 . 1 . . . . A 37 GLU HA . 34518 1 466 . 1 . 1 37 37 GLU HB2 H 1 2.161 0.020 . 2 . . . . A 37 GLU HB2 . 34518 1 467 . 1 . 1 37 37 GLU HB3 H 1 2.188 0.020 . 2 . . . . A 37 GLU HB3 . 34518 1 468 . 1 . 1 37 37 GLU HG2 H 1 2.287 0.020 . 2 . . . . A 37 GLU HG2 . 34518 1 469 . 1 . 1 37 37 GLU HG3 H 1 2.477 0.020 . 2 . . . . A 37 GLU HG3 . 34518 1 470 . 1 . 1 37 37 GLU C C 13 179.285 0.400 . 1 . . . . A 37 GLU C . 34518 1 471 . 1 . 1 37 37 GLU CA C 13 59.413 0.400 . 1 . . . . A 37 GLU CA . 34518 1 472 . 1 . 1 37 37 GLU CB C 13 29.319 0.400 . 1 . . . . A 37 GLU CB . 34518 1 473 . 1 . 1 37 37 GLU CG C 13 36.377 0.400 . 1 . . . . A 37 GLU CG . 34518 1 474 . 1 . 1 37 37 GLU N N 15 118.835 0.400 . 1 . . . . A 37 GLU N . 34518 1 475 . 1 . 1 38 38 GLU H H 1 7.931 0.020 . 1 . . . . A 38 GLU H . 34518 1 476 . 1 . 1 38 38 GLU HA H 1 4.078 0.020 . 1 . . . . A 38 GLU HA . 34518 1 477 . 1 . 1 38 38 GLU HB2 H 1 2.121 0.020 . 2 . . . . A 38 GLU HB2 . 34518 1 478 . 1 . 1 38 38 GLU HB3 H 1 2.334 0.020 . 2 . . . . A 38 GLU HB3 . 34518 1 479 . 1 . 1 38 38 GLU HG2 H 1 2.268 0.020 . 2 . . . . A 38 GLU HG2 . 34518 1 480 . 1 . 1 38 38 GLU HG3 H 1 2.501 0.020 . 2 . . . . A 38 GLU HG3 . 34518 1 481 . 1 . 1 38 38 GLU C C 13 180.115 0.400 . 1 . . . . A 38 GLU C . 34518 1 482 . 1 . 1 38 38 GLU CA C 13 59.487 0.400 . 1 . . . . A 38 GLU CA . 34518 1 483 . 1 . 1 38 38 GLU CB C 13 29.484 0.400 . 1 . . . . A 38 GLU CB . 34518 1 484 . 1 . 1 38 38 GLU CG C 13 36.369 0.400 . 1 . . . . A 38 GLU CG . 34518 1 485 . 1 . 1 38 38 GLU N N 15 121.439 0.400 . 1 . . . . A 38 GLU N . 34518 1 486 . 1 . 1 39 39 ILE H H 1 8.447 0.020 . 1 . . . . A 39 ILE H . 34518 1 487 . 1 . 1 39 39 ILE HA H 1 3.464 0.020 . 1 . . . . A 39 ILE HA . 34518 1 488 . 1 . 1 39 39 ILE HB H 1 1.920 0.020 . 1 . . . . A 39 ILE HB . 34518 1 489 . 1 . 1 39 39 ILE HG12 H 1 0.749 0.020 . 2 . . . . A 39 ILE HG12 . 34518 1 490 . 1 . 1 39 39 ILE HG13 H 1 0.761 0.020 . 2 . . . . A 39 ILE HG13 . 34518 1 491 . 1 . 1 39 39 ILE HG21 H 1 0.539 0.020 . 1 . . . . A 39 ILE HG21 . 34518 1 492 . 1 . 1 39 39 ILE HG22 H 1 0.539 0.020 . 1 . . . . A 39 ILE HG22 . 34518 1 493 . 1 . 1 39 39 ILE HG23 H 1 0.539 0.020 . 1 . . . . A 39 ILE HG23 . 34518 1 494 . 1 . 1 39 39 ILE HD11 H 1 0.705 0.020 . 1 . . . . A 39 ILE HD11 . 34518 1 495 . 1 . 1 39 39 ILE HD12 H 1 0.705 0.020 . 1 . . . . A 39 ILE HD12 . 34518 1 496 . 1 . 1 39 39 ILE HD13 H 1 0.705 0.020 . 1 . . . . A 39 ILE HD13 . 34518 1 497 . 1 . 1 39 39 ILE C C 13 176.701 0.400 . 1 . . . . A 39 ILE C . 34518 1 498 . 1 . 1 39 39 ILE CA C 13 65.782 0.400 . 1 . . . . A 39 ILE CA . 34518 1 499 . 1 . 1 39 39 ILE CB C 13 37.744 0.400 . 1 . . . . A 39 ILE CB . 34518 1 500 . 1 . 1 39 39 ILE CG1 C 13 30.262 0.400 . 1 . . . . A 39 ILE CG1 . 34518 1 501 . 1 . 1 39 39 ILE CG2 C 13 18.073 0.400 . 1 . . . . A 39 ILE CG2 . 34518 1 502 . 1 . 1 39 39 ILE CD1 C 13 13.992 0.400 . 1 . . . . A 39 ILE CD1 . 34518 1 503 . 1 . 1 39 39 ILE N N 15 120.619 0.400 . 1 . . . . A 39 ILE N . 34518 1 504 . 1 . 1 40 40 GLU H H 1 8.306 0.020 . 1 . . . . A 40 GLU H . 34518 1 505 . 1 . 1 40 40 GLU HA H 1 3.449 0.020 . 1 . . . . A 40 GLU HA . 34518 1 506 . 1 . 1 40 40 GLU HB2 H 1 2.350 0.020 . 2 . . . . A 40 GLU HB2 . 34518 1 507 . 1 . 1 40 40 GLU HB3 H 1 2.355 0.020 . 2 . . . . A 40 GLU HB3 . 34518 1 508 . 1 . 1 40 40 GLU HG2 H 1 1.917 0.020 . 2 . . . . A 40 GLU HG2 . 34518 1 509 . 1 . 1 40 40 GLU HG3 H 1 2.336 0.020 . 2 . . . . A 40 GLU HG3 . 34518 1 510 . 1 . 1 40 40 GLU C C 13 176.592 0.400 . 1 . . . . A 40 GLU C . 34518 1 511 . 1 . 1 40 40 GLU CA C 13 60.164 0.400 . 1 . . . . A 40 GLU CA . 34518 1 512 . 1 . 1 40 40 GLU CB C 13 29.945 0.400 . 1 . . . . A 40 GLU CB . 34518 1 513 . 1 . 1 40 40 GLU CG C 13 36.392 0.400 . 1 . . . . A 40 GLU CG . 34518 1 514 . 1 . 1 40 40 GLU N N 15 120.939 0.400 . 1 . . . . A 40 GLU N . 34518 1 515 . 1 . 1 41 41 GLU H H 1 7.843 0.020 . 1 . . . . A 41 GLU H . 34518 1 516 . 1 . 1 41 41 GLU HA H 1 4.045 0.020 . 1 . . . . A 41 GLU HA . 34518 1 517 . 1 . 1 41 41 GLU HB2 H 1 2.098 0.020 . 2 . . . . A 41 GLU HB2 . 34518 1 518 . 1 . 1 41 41 GLU HB3 H 1 2.122 0.020 . 2 . . . . A 41 GLU HB3 . 34518 1 519 . 1 . 1 41 41 GLU HG2 H 1 2.428 0.020 . 2 . . . . A 41 GLU HG2 . 34518 1 520 . 1 . 1 41 41 GLU HG3 H 1 2.435 0.020 . 2 . . . . A 41 GLU HG3 . 34518 1 521 . 1 . 1 41 41 GLU C C 13 179.086 0.400 . 1 . . . . A 41 GLU C . 34518 1 522 . 1 . 1 41 41 GLU CA C 13 59.366 0.400 . 1 . . . . A 41 GLU CA . 34518 1 523 . 1 . 1 41 41 GLU CB C 13 29.548 0.400 . 1 . . . . A 41 GLU CB . 34518 1 524 . 1 . 1 41 41 GLU CG C 13 36.369 0.400 . 1 . . . . A 41 GLU CG . 34518 1 525 . 1 . 1 41 41 GLU N N 15 118.100 0.400 . 1 . . . . A 41 GLU N . 34518 1 526 . 1 . 1 42 42 LEU H H 1 7.843 0.020 . 1 . . . . A 42 LEU H . 34518 1 527 . 1 . 1 42 42 LEU HA H 1 4.084 0.020 . 1 . . . . A 42 LEU HA . 34518 1 528 . 1 . 1 42 42 LEU HB2 H 1 1.511 0.020 . 2 . . . . A 42 LEU HB2 . 34518 1 529 . 1 . 1 42 42 LEU HB3 H 1 1.959 0.020 . 2 . . . . A 42 LEU HB3 . 34518 1 530 . 1 . 1 42 42 LEU HG H 1 1.808 0.020 . 1 . . . . A 42 LEU HG . 34518 1 531 . 1 . 1 42 42 LEU HD11 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD11 . 34518 1 532 . 1 . 1 42 42 LEU HD12 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD12 . 34518 1 533 . 1 . 1 42 42 LEU HD13 H 1 0.870 0.020 . 2 . . . . A 42 LEU HD13 . 34518 1 534 . 1 . 1 42 42 LEU HD21 H 1 0.854 0.020 . 2 . . . . A 42 LEU HD21 . 34518 1 535 . 1 . 1 42 42 LEU HD22 H 1 0.854 0.020 . 2 . . . . A 42 LEU HD22 . 34518 1 536 . 1 . 1 42 42 LEU HD23 H 1 0.854 0.020 . 2 . . . . A 42 LEU HD23 . 34518 1 537 . 1 . 1 42 42 LEU C C 13 179.626 0.400 . 1 . . . . A 42 LEU C . 34518 1 538 . 1 . 1 42 42 LEU CA C 13 58.157 0.400 . 1 . . . . A 42 LEU CA . 34518 1 539 . 1 . 1 42 42 LEU CB C 13 42.462 0.400 . 1 . . . . A 42 LEU CB . 34518 1 540 . 1 . 1 42 42 LEU CG C 13 26.989 0.400 . 1 . . . . A 42 LEU CG . 34518 1 541 . 1 . 1 42 42 LEU CD1 C 13 24.246 0.400 . 2 . . . . A 42 LEU CD1 . 34518 1 542 . 1 . 1 42 42 LEU CD2 C 13 25.355 0.400 . 2 . . . . A 42 LEU CD2 . 34518 1 543 . 1 . 1 42 42 LEU N N 15 121.201 0.400 . 1 . . . . A 42 LEU N . 34518 1 544 . 1 . 1 43 43 ILE H H 1 8.482 0.020 . 1 . . . . A 43 ILE H . 34518 1 545 . 1 . 1 43 43 ILE HA H 1 3.471 0.020 . 1 . . . . A 43 ILE HA . 34518 1 546 . 1 . 1 43 43 ILE HB H 1 1.682 0.020 . 1 . . . . A 43 ILE HB . 34518 1 547 . 1 . 1 43 43 ILE HG12 H 1 0.602 0.020 . 2 . . . . A 43 ILE HG12 . 34518 1 548 . 1 . 1 43 43 ILE HG13 H 1 1.337 0.020 . 2 . . . . A 43 ILE HG13 . 34518 1 549 . 1 . 1 43 43 ILE HG21 H 1 0.625 0.020 . 1 . . . . A 43 ILE HG21 . 34518 1 550 . 1 . 1 43 43 ILE HG22 H 1 0.625 0.020 . 1 . . . . A 43 ILE HG22 . 34518 1 551 . 1 . 1 43 43 ILE HG23 H 1 0.625 0.020 . 1 . . . . A 43 ILE HG23 . 34518 1 552 . 1 . 1 43 43 ILE HD11 H 1 0.626 0.020 . 1 . . . . A 43 ILE HD11 . 34518 1 553 . 1 . 1 43 43 ILE HD12 H 1 0.626 0.020 . 1 . . . . A 43 ILE HD12 . 34518 1 554 . 1 . 1 43 43 ILE HD13 H 1 0.626 0.020 . 1 . . . . A 43 ILE HD13 . 34518 1 555 . 1 . 1 43 43 ILE C C 13 178.367 0.400 . 1 . . . . A 43 ILE C . 34518 1 556 . 1 . 1 43 43 ILE CA C 13 65.673 0.400 . 1 . . . . A 43 ILE CA . 34518 1 557 . 1 . 1 43 43 ILE CB C 13 37.555 0.400 . 1 . . . . A 43 ILE CB . 34518 1 558 . 1 . 1 43 43 ILE CG1 C 13 28.807 0.400 . 1 . . . . A 43 ILE CG1 . 34518 1 559 . 1 . 1 43 43 ILE CG2 C 13 16.811 0.400 . 1 . . . . A 43 ILE CG2 . 34518 1 560 . 1 . 1 43 43 ILE CD1 C 13 16.785 0.400 . 1 . . . . A 43 ILE CD1 . 34518 1 561 . 1 . 1 43 43 ILE N N 15 120.492 0.400 . 1 . . . . A 43 ILE N . 34518 1 562 . 1 . 1 44 44 GLN H H 1 8.063 0.020 . 1 . . . . A 44 GLN H . 34518 1 563 . 1 . 1 44 44 GLN HA H 1 4.061 0.020 . 1 . . . . A 44 GLN HA . 34518 1 564 . 1 . 1 44 44 GLN HB2 H 1 2.160 0.020 . 2 . . . . A 44 GLN HB2 . 34518 1 565 . 1 . 1 44 44 GLN HB3 H 1 2.161 0.020 . 2 . . . . A 44 GLN HB3 . 34518 1 566 . 1 . 1 44 44 GLN HG2 H 1 2.494 0.020 . 2 . . . . A 44 GLN HG2 . 34518 1 567 . 1 . 1 44 44 GLN HG3 H 1 2.499 0.020 . 2 . . . . A 44 GLN HG3 . 34518 1 568 . 1 . 1 44 44 GLN HE21 H 1 7.569 0.020 . 2 . . . . A 44 GLN HE21 . 34518 1 569 . 1 . 1 44 44 GLN HE22 H 1 6.902 0.020 . 2 . . . . A 44 GLN HE22 . 34518 1 570 . 1 . 1 44 44 GLN C C 13 178.761 0.400 . 1 . . . . A 44 GLN C . 34518 1 571 . 1 . 1 44 44 GLN CA C 13 58.789 0.400 . 1 . . . . A 44 GLN CA . 34518 1 572 . 1 . 1 44 44 GLN CB C 13 28.145 0.400 . 1 . . . . A 44 GLN CB . 34518 1 573 . 1 . 1 44 44 GLN CG C 13 33.453 0.400 . 1 . . . . A 44 GLN CG . 34518 1 574 . 1 . 1 44 44 GLN N N 15 118.627 0.400 . 1 . . . . A 44 GLN N . 34518 1 575 . 1 . 1 44 44 GLN NE2 N 15 111.926 0.400 . 1 . . . . A 44 GLN NE2 . 34518 1 576 . 1 . 1 45 45 LYS H H 1 8.115 0.020 . 1 . . . . A 45 LYS H . 34518 1 577 . 1 . 1 45 45 LYS HA H 1 4.042 0.020 . 1 . . . . A 45 LYS HA . 34518 1 578 . 1 . 1 45 45 LYS HB2 H 1 1.852 0.020 . 2 . . . . A 45 LYS HB2 . 34518 1 579 . 1 . 1 45 45 LYS HB3 H 1 1.925 0.020 . 2 . . . . A 45 LYS HB3 . 34518 1 580 . 1 . 1 45 45 LYS HG2 H 1 1.318 0.020 . 2 . . . . A 45 LYS HG2 . 34518 1 581 . 1 . 1 45 45 LYS HG3 H 1 1.318 0.020 . 2 . . . . A 45 LYS HG3 . 34518 1 582 . 1 . 1 45 45 LYS HD2 H 1 1.654 0.020 . 2 . . . . A 45 LYS HD2 . 34518 1 583 . 1 . 1 45 45 LYS HD3 H 1 1.654 0.020 . 2 . . . . A 45 LYS HD3 . 34518 1 584 . 1 . 1 45 45 LYS HE2 H 1 2.928 0.020 . 2 . . . . A 45 LYS HE2 . 34518 1 585 . 1 . 1 45 45 LYS HE3 H 1 2.928 0.020 . 2 . . . . A 45 LYS HE3 . 34518 1 586 . 1 . 1 45 45 LYS C C 13 178.623 0.400 . 1 . . . . A 45 LYS C . 34518 1 587 . 1 . 1 45 45 LYS CA C 13 59.245 0.400 . 1 . . . . A 45 LYS CA . 34518 1 588 . 1 . 1 45 45 LYS CB C 13 32.603 0.400 . 1 . . . . A 45 LYS CB . 34518 1 589 . 1 . 1 45 45 LYS CG C 13 25.251 0.400 . 1 . . . . A 45 LYS CG . 34518 1 590 . 1 . 1 45 45 LYS CD C 13 29.544 0.400 . 1 . . . . A 45 LYS CD . 34518 1 591 . 1 . 1 45 45 LYS CE C 13 42.057 0.400 . 1 . . . . A 45 LYS CE . 34518 1 592 . 1 . 1 45 45 LYS N N 15 119.671 0.400 . 1 . . . . A 45 LYS N . 34518 1 593 . 1 . 1 46 46 HIS H H 1 8.114 0.020 . 1 . . . . A 46 HIS H . 34518 1 594 . 1 . 1 46 46 HIS HA H 1 4.843 0.020 . 1 . . . . A 46 HIS HA . 34518 1 595 . 1 . 1 46 46 HIS HB2 H 1 3.224 0.020 . 2 . . . . A 46 HIS HB2 . 34518 1 596 . 1 . 1 46 46 HIS HB3 H 1 3.052 0.020 . 2 . . . . A 46 HIS HB3 . 34518 1 597 . 1 . 1 46 46 HIS HD2 H 1 6.851 0.020 . 1 . . . . A 46 HIS HD2 . 34518 1 598 . 1 . 1 46 46 HIS HE1 H 1 7.573 0.020 . 1 . . . . A 46 HIS HE1 . 34518 1 599 . 1 . 1 46 46 HIS C C 13 178.617 0.400 . 1 . . . . A 46 HIS C . 34518 1 600 . 1 . 1 46 46 HIS CA C 13 58.889 0.400 . 1 . . . . A 46 HIS CA . 34518 1 601 . 1 . 1 46 46 HIS CB C 13 30.499 0.400 . 1 . . . . A 46 HIS CB . 34518 1 602 . 1 . 1 46 46 HIS CD2 C 13 120.510 0.400 . 1 . . . . A 46 HIS CD2 . 34518 1 603 . 1 . 1 46 46 HIS CE1 C 13 138.269 0.400 . 1 . . . . A 46 HIS CE1 . 34518 1 604 . 1 . 1 46 46 HIS N N 15 119.640 0.400 . 1 . . . . A 46 HIS N . 34518 1 605 . 1 . 1 47 47 ARG H H 1 8.101 0.020 . 1 . . . . A 47 ARG H . 34518 1 606 . 1 . 1 47 47 ARG HA H 1 3.979 0.020 . 1 . . . . A 47 ARG HA . 34518 1 607 . 1 . 1 47 47 ARG HB2 H 1 1.958 0.020 . 2 . . . . A 47 ARG HB2 . 34518 1 608 . 1 . 1 47 47 ARG HB3 H 1 1.966 0.020 . 2 . . . . A 47 ARG HB3 . 34518 1 609 . 1 . 1 47 47 ARG HG2 H 1 1.684 0.020 . 2 . . . . A 47 ARG HG2 . 34518 1 610 . 1 . 1 47 47 ARG HG3 H 1 1.850 0.020 . 2 . . . . A 47 ARG HG3 . 34518 1 611 . 1 . 1 47 47 ARG HD2 H 1 3.191 0.020 . 2 . . . . A 47 ARG HD2 . 34518 1 612 . 1 . 1 47 47 ARG HD3 H 1 3.285 0.020 . 2 . . . . A 47 ARG HD3 . 34518 1 613 . 1 . 1 47 47 ARG HE H 1 8.072 0.020 . 1 . . . . A 47 ARG HE . 34518 1 614 . 1 . 1 47 47 ARG C C 13 178.328 0.400 . 1 . . . . A 47 ARG C . 34518 1 615 . 1 . 1 47 47 ARG CA C 13 59.173 0.400 . 1 . . . . A 47 ARG CA . 34518 1 616 . 1 . 1 47 47 ARG CB C 13 30.054 0.400 . 1 . . . . A 47 ARG CB . 34518 1 617 . 1 . 1 47 47 ARG CG C 13 27.659 0.400 . 1 . . . . A 47 ARG CG . 34518 1 618 . 1 . 1 47 47 ARG CD C 13 43.415 0.400 . 1 . . . . A 47 ARG CD . 34518 1 619 . 1 . 1 47 47 ARG N N 15 119.904 0.400 . 1 . . . . A 47 ARG N . 34518 1 620 . 1 . 1 48 48 GLN H H 1 8.121 0.020 . 1 . . . . A 48 GLN H . 34518 1 621 . 1 . 1 48 48 GLN HA H 1 4.140 0.020 . 1 . . . . A 48 GLN HA . 34518 1 622 . 1 . 1 48 48 GLN HB2 H 1 2.154 0.020 . 2 . . . . A 48 GLN HB2 . 34518 1 623 . 1 . 1 48 48 GLN HB3 H 1 2.156 0.020 . 2 . . . . A 48 GLN HB3 . 34518 1 624 . 1 . 1 48 48 GLN HG2 H 1 2.426 0.020 . 2 . . . . A 48 GLN HG2 . 34518 1 625 . 1 . 1 48 48 GLN HG3 H 1 2.495 0.020 . 2 . . . . A 48 GLN HG3 . 34518 1 626 . 1 . 1 48 48 GLN HE21 H 1 6.881 0.020 . 2 . . . . A 48 GLN HE21 . 34518 1 627 . 1 . 1 48 48 GLN HE22 H 1 7.520 0.020 . 2 . . . . A 48 GLN HE22 . 34518 1 628 . 1 . 1 48 48 GLN C C 13 177.531 0.400 . 1 . . . . A 48 GLN C . 34518 1 629 . 1 . 1 48 48 GLN CA C 13 57.911 0.400 . 1 . . . . A 48 GLN CA . 34518 1 630 . 1 . 1 48 48 GLN CB C 13 28.338 0.400 . 1 . . . . A 48 GLN CB . 34518 1 631 . 1 . 1 48 48 GLN CG C 13 34.036 0.400 . 1 . . . . A 48 GLN CG . 34518 1 632 . 1 . 1 48 48 GLN N N 15 117.466 0.400 . 1 . . . . A 48 GLN N . 34518 1 633 . 1 . 1 48 48 GLN NE2 N 15 111.992 0.400 . 1 . . . . A 48 GLN NE2 . 34518 1 634 . 1 . 1 49 49 LEU H H 1 7.708 0.020 . 1 . . . . A 49 LEU H . 34518 1 635 . 1 . 1 49 49 LEU HA H 1 4.107 0.020 . 1 . . . . A 49 LEU HA . 34518 1 636 . 1 . 1 49 49 LEU HB2 H 1 1.138 0.020 . 2 . . . . A 49 LEU HB2 . 34518 1 637 . 1 . 1 49 49 LEU HB3 H 1 1.600 0.020 . 2 . . . . A 49 LEU HB3 . 34518 1 638 . 1 . 1 49 49 LEU HG H 1 1.602 0.020 . 1 . . . . A 49 LEU HG . 34518 1 639 . 1 . 1 49 49 LEU HD11 H 1 0.783 0.020 . 2 . . . . A 49 LEU HD11 . 34518 1 640 . 1 . 1 49 49 LEU HD12 H 1 0.783 0.020 . 2 . . . . A 49 LEU HD12 . 34518 1 641 . 1 . 1 49 49 LEU HD13 H 1 0.783 0.020 . 2 . . . . A 49 LEU HD13 . 34518 1 642 . 1 . 1 49 49 LEU HD21 H 1 0.770 0.020 . 2 . . . . A 49 LEU HD21 . 34518 1 643 . 1 . 1 49 49 LEU HD22 H 1 0.770 0.020 . 2 . . . . A 49 LEU HD22 . 34518 1 644 . 1 . 1 49 49 LEU HD23 H 1 0.770 0.020 . 2 . . . . A 49 LEU HD23 . 34518 1 645 . 1 . 1 49 49 LEU C C 13 177.962 0.400 . 1 . . . . A 49 LEU C . 34518 1 646 . 1 . 1 49 49 LEU CA C 13 56.407 0.400 . 1 . . . . A 49 LEU CA . 34518 1 647 . 1 . 1 49 49 LEU CB C 13 42.286 0.400 . 1 . . . . A 49 LEU CB . 34518 1 648 . 1 . 1 49 49 LEU CG C 13 26.885 0.400 . 1 . . . . A 49 LEU CG . 34518 1 649 . 1 . 1 49 49 LEU CD1 C 13 25.460 0.400 . 2 . . . . A 49 LEU CD1 . 34518 1 650 . 1 . 1 49 49 LEU CD2 C 13 23.274 0.400 . 2 . . . . A 49 LEU CD2 . 34518 1 651 . 1 . 1 49 49 LEU N N 15 118.871 0.400 . 1 . . . . A 49 LEU N . 34518 1 652 . 1 . 1 50 50 PHE H H 1 7.837 0.020 . 1 . . . . A 50 PHE H . 34518 1 653 . 1 . 1 50 50 PHE HA H 1 4.579 0.020 . 1 . . . . A 50 PHE HA . 34518 1 654 . 1 . 1 50 50 PHE HB2 H 1 3.235 0.020 . 2 . . . . A 50 PHE HB2 . 34518 1 655 . 1 . 1 50 50 PHE HB3 H 1 2.889 0.020 . 2 . . . . A 50 PHE HB3 . 34518 1 656 . 1 . 1 50 50 PHE HD1 H 1 7.221 0.020 . 1 . . . . A 50 PHE HD1 . 34518 1 657 . 1 . 1 50 50 PHE HD2 H 1 7.226 0.020 . 1 . . . . A 50 PHE HD2 . 34518 1 658 . 1 . 1 50 50 PHE HE1 H 1 7.220 0.020 . 1 . . . . A 50 PHE HE1 . 34518 1 659 . 1 . 1 50 50 PHE HE2 H 1 7.229 0.020 . 1 . . . . A 50 PHE HE2 . 34518 1 660 . 1 . 1 50 50 PHE HZ H 1 7.229 0.020 . 1 . . . . A 50 PHE HZ . 34518 1 661 . 1 . 1 50 50 PHE C C 13 175.724 0.400 . 1 . . . . A 50 PHE C . 34518 1 662 . 1 . 1 50 50 PHE CA C 13 58.262 0.400 . 1 . . . . A 50 PHE CA . 34518 1 663 . 1 . 1 50 50 PHE CB C 13 39.869 0.400 . 1 . . . . A 50 PHE CB . 34518 1 664 . 1 . 1 50 50 PHE CD1 C 13 131.843 0.400 . 3 . . . . A 50 PHE CD1 . 34518 1 665 . 1 . 1 50 50 PHE CD2 C 13 131.781 0.400 . 3 . . . . A 50 PHE CD2 . 34518 1 666 . 1 . 1 50 50 PHE CE1 C 13 129.503 0.400 . 3 . . . . A 50 PHE CE1 . 34518 1 667 . 1 . 1 50 50 PHE CE2 C 13 131.812 0.400 . 3 . . . . A 50 PHE CE2 . 34518 1 668 . 1 . 1 50 50 PHE CZ C 13 131.708 0.400 . 1 . . . . A 50 PHE CZ . 34518 1 669 . 1 . 1 50 50 PHE N N 15 117.192 0.400 . 1 . . . . A 50 PHE N . 34518 1 670 . 1 . 1 51 51 ASP H H 1 8.240 0.020 . 1 . . . . A 51 ASP H . 34518 1 671 . 1 . 1 51 51 ASP HA H 1 4.638 0.020 . 1 . . . . A 51 ASP HA . 34518 1 672 . 1 . 1 51 51 ASP HB2 H 1 2.681 0.020 . 2 . . . . A 51 ASP HB2 . 34518 1 673 . 1 . 1 51 51 ASP HB3 H 1 2.775 0.020 . 2 . . . . A 51 ASP HB3 . 34518 1 674 . 1 . 1 51 51 ASP C C 13 176.219 0.400 . 1 . . . . A 51 ASP C . 34518 1 675 . 1 . 1 51 51 ASP CA C 13 54.641 0.400 . 1 . . . . A 51 ASP CA . 34518 1 676 . 1 . 1 51 51 ASP CB C 13 41.191 0.400 . 1 . . . . A 51 ASP CB . 34518 1 677 . 1 . 1 51 51 ASP N N 15 120.868 0.400 . 1 . . . . A 51 ASP N . 34518 1 678 . 1 . 1 52 52 ASN H H 1 8.365 0.020 . 1 . . . . A 52 ASN H . 34518 1 679 . 1 . 1 52 52 ASN HA H 1 4.725 0.020 . 1 . . . . A 52 ASN HA . 34518 1 680 . 1 . 1 52 52 ASN HB2 H 1 2.870 0.020 . 2 . . . . A 52 ASN HB2 . 34518 1 681 . 1 . 1 52 52 ASN HB3 H 1 2.876 0.020 . 2 . . . . A 52 ASN HB3 . 34518 1 682 . 1 . 1 52 52 ASN HD21 H 1 6.947 0.020 . 2 . . . . A 52 ASN HD21 . 34518 1 683 . 1 . 1 52 52 ASN HD22 H 1 7.663 0.020 . 2 . . . . A 52 ASN HD22 . 34518 1 684 . 1 . 1 52 52 ASN C C 13 175.683 0.400 . 1 . . . . A 52 ASN C . 34518 1 685 . 1 . 1 52 52 ASN CA C 13 53.452 0.400 . 1 . . . . A 52 ASN CA . 34518 1 686 . 1 . 1 52 52 ASN CB C 13 38.692 0.400 . 1 . . . . A 52 ASN CB . 34518 1 687 . 1 . 1 52 52 ASN N N 15 119.563 0.400 . 1 . . . . A 52 ASN N . 34518 1 688 . 1 . 1 52 52 ASN ND2 N 15 112.473 0.400 . 1 . . . . A 52 ASN ND2 . 34518 1 689 . 1 . 1 53 53 ARG H H 1 8.248 0.020 . 1 . . . . A 53 ARG H . 34518 1 690 . 1 . 1 53 53 ARG HA H 1 4.312 0.020 . 1 . . . . A 53 ARG HA . 34518 1 691 . 1 . 1 53 53 ARG HB2 H 1 1.868 0.020 . 2 . . . . A 53 ARG HB2 . 34518 1 692 . 1 . 1 53 53 ARG HB3 H 1 1.937 0.020 . 2 . . . . A 53 ARG HB3 . 34518 1 693 . 1 . 1 53 53 ARG HG2 H 1 1.671 0.020 . 2 . . . . A 53 ARG HG2 . 34518 1 694 . 1 . 1 53 53 ARG HG3 H 1 1.674 0.020 . 2 . . . . A 53 ARG HG3 . 34518 1 695 . 1 . 1 53 53 ARG HD2 H 1 3.199 0.020 . 2 . . . . A 53 ARG HD2 . 34518 1 696 . 1 . 1 53 53 ARG HD3 H 1 3.203 0.020 . 2 . . . . A 53 ARG HD3 . 34518 1 697 . 1 . 1 53 53 ARG HE H 1 7.433 0.020 . 1 . . . . A 53 ARG HE . 34518 1 698 . 1 . 1 53 53 ARG C C 13 176.628 0.400 . 1 . . . . A 53 ARG C . 34518 1 699 . 1 . 1 53 53 ARG CA C 13 56.588 0.400 . 1 . . . . A 53 ARG CA . 34518 1 700 . 1 . 1 53 53 ARG CB C 13 30.318 0.400 . 1 . . . . A 53 ARG CB . 34518 1 701 . 1 . 1 53 53 ARG CG C 13 27.147 0.400 . 1 . . . . A 53 ARG CG . 34518 1 702 . 1 . 1 53 53 ARG CD C 13 43.414 0.400 . 1 . . . . A 53 ARG CD . 34518 1 703 . 1 . 1 53 53 ARG N N 15 120.471 0.400 . 1 . . . . A 53 ARG N . 34518 1 704 . 1 . 1 54 54 GLN H H 1 8.411 0.020 . 1 . . . . A 54 GLN H . 34518 1 705 . 1 . 1 54 54 GLN HA H 1 4.299 0.020 . 1 . . . . A 54 GLN HA . 34518 1 706 . 1 . 1 54 54 GLN HB2 H 1 2.059 0.020 . 2 . . . . A 54 GLN HB2 . 34518 1 707 . 1 . 1 54 54 GLN HB3 H 1 2.084 0.020 . 2 . . . . A 54 GLN HB3 . 34518 1 708 . 1 . 1 54 54 GLN HG2 H 1 2.389 0.020 . 2 . . . . A 54 GLN HG2 . 34518 1 709 . 1 . 1 54 54 GLN HG3 H 1 2.389 0.020 . 2 . . . . A 54 GLN HG3 . 34518 1 710 . 1 . 1 54 54 GLN HE21 H 1 6.879 0.020 . 2 . . . . A 54 GLN HE21 . 34518 1 711 . 1 . 1 54 54 GLN HE22 H 1 7.585 0.020 . 2 . . . . A 54 GLN HE22 . 34518 1 712 . 1 . 1 54 54 GLN C C 13 176.283 0.400 . 1 . . . . A 54 GLN C . 34518 1 713 . 1 . 1 54 54 GLN CA C 13 56.374 0.400 . 1 . . . . A 54 GLN CA . 34518 1 714 . 1 . 1 54 54 GLN CB C 13 29.218 0.400 . 1 . . . . A 54 GLN CB . 34518 1 715 . 1 . 1 54 54 GLN CG C 13 33.930 0.400 . 1 . . . . A 54 GLN CG . 34518 1 716 . 1 . 1 54 54 GLN N N 15 120.431 0.400 . 1 . . . . A 54 GLN N . 34518 1 717 . 1 . 1 54 54 GLN NE2 N 15 112.666 0.400 . 1 . . . . A 54 GLN NE2 . 34518 1 718 . 1 . 1 55 55 GLU H H 1 8.506 0.020 . 1 . . . . A 55 GLU H . 34518 1 719 . 1 . 1 55 55 GLU HA H 1 4.276 0.020 . 1 . . . . A 55 GLU HA . 34518 1 720 . 1 . 1 55 55 GLU HB2 H 1 1.972 0.020 . 2 . . . . A 55 GLU HB2 . 34518 1 721 . 1 . 1 55 55 GLU HB3 H 1 2.078 0.020 . 2 . . . . A 55 GLU HB3 . 34518 1 722 . 1 . 1 55 55 GLU HG2 H 1 2.104 0.020 . 2 . . . . A 55 GLU HG2 . 34518 1 723 . 1 . 1 55 55 GLU HG3 H 1 2.282 0.020 . 2 . . . . A 55 GLU HG3 . 34518 1 724 . 1 . 1 55 55 GLU C C 13 176.419 0.400 . 1 . . . . A 55 GLU C . 34518 1 725 . 1 . 1 55 55 GLU CA C 13 56.873 0.400 . 1 . . . . A 55 GLU CA . 34518 1 726 . 1 . 1 55 55 GLU CB C 13 30.029 0.400 . 1 . . . . A 55 GLU CB . 34518 1 727 . 1 . 1 55 55 GLU CG C 13 36.304 0.400 . 1 . . . . A 55 GLU CG . 34518 1 728 . 1 . 1 55 55 GLU N N 15 121.333 0.400 . 1 . . . . A 55 GLU N . 34518 1 729 . 1 . 1 56 56 ALA H H 1 8.314 0.020 . 1 . . . . A 56 ALA H . 34518 1 730 . 1 . 1 56 56 ALA HA H 1 4.296 0.020 . 1 . . . . A 56 ALA HA . 34518 1 731 . 1 . 1 56 56 ALA HB1 H 1 1.423 0.020 . 1 . . . . A 56 ALA HB1 . 34518 1 732 . 1 . 1 56 56 ALA HB2 H 1 1.423 0.020 . 1 . . . . A 56 ALA HB2 . 34518 1 733 . 1 . 1 56 56 ALA HB3 H 1 1.423 0.020 . 1 . . . . A 56 ALA HB3 . 34518 1 734 . 1 . 1 56 56 ALA C C 13 177.681 0.400 . 1 . . . . A 56 ALA C . 34518 1 735 . 1 . 1 56 56 ALA CA C 13 52.813 0.400 . 1 . . . . A 56 ALA CA . 34518 1 736 . 1 . 1 56 56 ALA CB C 13 19.223 0.400 . 1 . . . . A 56 ALA CB . 34518 1 737 . 1 . 1 56 56 ALA N N 15 124.422 0.400 . 1 . . . . A 56 ALA N . 34518 1 738 . 1 . 1 57 57 ALA H H 1 8.276 0.020 . 1 . . . . A 57 ALA H . 34518 1 739 . 1 . 1 57 57 ALA HA H 1 4.294 0.020 . 1 . . . . A 57 ALA HA . 34518 1 740 . 1 . 1 57 57 ALA HB1 H 1 1.425 0.020 . 1 . . . . A 57 ALA HB1 . 34518 1 741 . 1 . 1 57 57 ALA HB2 H 1 1.425 0.020 . 1 . . . . A 57 ALA HB2 . 34518 1 742 . 1 . 1 57 57 ALA HB3 H 1 1.425 0.020 . 1 . . . . A 57 ALA HB3 . 34518 1 743 . 1 . 1 57 57 ALA C C 13 177.788 0.400 . 1 . . . . A 57 ALA C . 34518 1 744 . 1 . 1 57 57 ALA CA C 13 52.822 0.400 . 1 . . . . A 57 ALA CA . 34518 1 745 . 1 . 1 57 57 ALA CB C 13 19.237 0.400 . 1 . . . . A 57 ALA CB . 34518 1 746 . 1 . 1 57 57 ALA N N 15 122.618 0.400 . 1 . . . . A 57 ALA N . 34518 1 747 . 1 . 1 58 58 ASP H H 1 8.318 0.020 . 1 . . . . A 58 ASP H . 34518 1 748 . 1 . 1 58 58 ASP HA H 1 4.654 0.020 . 1 . . . . A 58 ASP HA . 34518 1 749 . 1 . 1 58 58 ASP HB2 H 1 2.758 0.020 . 2 . . . . A 58 ASP HB2 . 34518 1 750 . 1 . 1 58 58 ASP HB3 H 1 2.775 0.020 . 2 . . . . A 58 ASP HB3 . 34518 1 751 . 1 . 1 58 58 ASP C C 13 176.987 0.400 . 1 . . . . A 58 ASP C . 34518 1 752 . 1 . 1 58 58 ASP CA C 13 54.552 0.400 . 1 . . . . A 58 ASP CA . 34518 1 753 . 1 . 1 58 58 ASP CB C 13 41.091 0.400 . 1 . . . . A 58 ASP CB . 34518 1 754 . 1 . 1 58 58 ASP N N 15 119.049 0.400 . 1 . . . . A 58 ASP N . 34518 1 755 . 1 . 1 59 59 THR H H 1 8.063 0.020 . 1 . . . . A 59 THR H . 34518 1 756 . 1 . 1 59 59 THR HA H 1 4.264 0.020 . 1 . . . . A 59 THR HA . 34518 1 757 . 1 . 1 59 59 THR HB H 1 4.356 0.020 . 1 . . . . A 59 THR HB . 34518 1 758 . 1 . 1 59 59 THR HG21 H 1 1.275 0.020 . 1 . . . . A 59 THR HG21 . 34518 1 759 . 1 . 1 59 59 THR HG22 H 1 1.275 0.020 . 1 . . . . A 59 THR HG22 . 34518 1 760 . 1 . 1 59 59 THR HG23 H 1 1.275 0.020 . 1 . . . . A 59 THR HG23 . 34518 1 761 . 1 . 1 59 59 THR C C 13 175.703 0.400 . 1 . . . . A 59 THR C . 34518 1 762 . 1 . 1 59 59 THR CA C 13 63.048 0.400 . 1 . . . . A 59 THR CA . 34518 1 763 . 1 . 1 59 59 THR CB C 13 69.717 0.400 . 1 . . . . A 59 THR CB . 34518 1 764 . 1 . 1 59 59 THR CG2 C 13 21.884 0.400 . 1 . . . . A 59 THR CG2 . 34518 1 765 . 1 . 1 59 59 THR N N 15 114.231 0.400 . 1 . . . . A 59 THR N . 34518 1 766 . 1 . 1 60 60 GLU H H 1 8.438 0.020 . 1 . . . . A 60 GLU H . 34518 1 767 . 1 . 1 60 60 GLU HA H 1 4.209 0.020 . 1 . . . . A 60 GLU HA . 34518 1 768 . 1 . 1 60 60 GLU HB2 H 1 2.081 0.020 . 2 . . . . A 60 GLU HB2 . 34518 1 769 . 1 . 1 60 60 GLU HB3 H 1 2.089 0.020 . 2 . . . . A 60 GLU HB3 . 34518 1 770 . 1 . 1 60 60 GLU HG2 H 1 2.309 0.020 . 2 . . . . A 60 GLU HG2 . 34518 1 771 . 1 . 1 60 60 GLU HG3 H 1 2.314 0.020 . 2 . . . . A 60 GLU HG3 . 34518 1 772 . 1 . 1 60 60 GLU C C 13 177.826 0.400 . 1 . . . . A 60 GLU C . 34518 1 773 . 1 . 1 60 60 GLU CA C 13 57.931 0.400 . 1 . . . . A 60 GLU CA . 34518 1 774 . 1 . 1 60 60 GLU CB C 13 29.731 0.400 . 1 . . . . A 60 GLU CB . 34518 1 775 . 1 . 1 60 60 GLU CG C 13 36.333 0.400 . 1 . . . . A 60 GLU CG . 34518 1 776 . 1 . 1 60 60 GLU N N 15 122.372 0.400 . 1 . . . . A 60 GLU N . 34518 1 777 . 1 . 1 61 61 ALA H H 1 8.241 0.020 . 1 . . . . A 61 ALA H . 34518 1 778 . 1 . 1 61 61 ALA HA H 1 4.152 0.020 . 1 . . . . A 61 ALA HA . 34518 1 779 . 1 . 1 61 61 ALA HB1 H 1 1.436 0.020 . 1 . . . . A 61 ALA HB1 . 34518 1 780 . 1 . 1 61 61 ALA HB2 H 1 1.436 0.020 . 1 . . . . A 61 ALA HB2 . 34518 1 781 . 1 . 1 61 61 ALA HB3 H 1 1.436 0.020 . 1 . . . . A 61 ALA HB3 . 34518 1 782 . 1 . 1 61 61 ALA C C 13 179.120 0.400 . 1 . . . . A 61 ALA C . 34518 1 783 . 1 . 1 61 61 ALA CA C 13 53.961 0.400 . 1 . . . . A 61 ALA CA . 34518 1 784 . 1 . 1 61 61 ALA CB C 13 18.706 0.400 . 1 . . . . A 61 ALA CB . 34518 1 785 . 1 . 1 61 61 ALA N N 15 123.346 0.400 . 1 . . . . A 61 ALA N . 34518 1 786 . 1 . 1 62 62 ALA H H 1 8.090 0.020 . 1 . . . . A 62 ALA H . 34518 1 787 . 1 . 1 62 62 ALA HA H 1 4.229 0.020 . 1 . . . . A 62 ALA HA . 34518 1 788 . 1 . 1 62 62 ALA HB1 H 1 1.453 0.020 . 1 . . . . A 62 ALA HB1 . 34518 1 789 . 1 . 1 62 62 ALA HB2 H 1 1.453 0.020 . 1 . . . . A 62 ALA HB2 . 34518 1 790 . 1 . 1 62 62 ALA HB3 H 1 1.453 0.020 . 1 . . . . A 62 ALA HB3 . 34518 1 791 . 1 . 1 62 62 ALA C C 13 179.049 0.400 . 1 . . . . A 62 ALA C . 34518 1 792 . 1 . 1 62 62 ALA CA C 13 53.706 0.400 . 1 . . . . A 62 ALA CA . 34518 1 793 . 1 . 1 62 62 ALA CB C 13 18.706 0.400 . 1 . . . . A 62 ALA CB . 34518 1 794 . 1 . 1 62 62 ALA N N 15 121.517 0.400 . 1 . . . . A 62 ALA N . 34518 1 795 . 1 . 1 63 63 LYS H H 1 8.009 0.020 . 1 . . . . A 63 LYS H . 34518 1 796 . 1 . 1 63 63 LYS HA H 1 4.248 0.020 . 1 . . . . A 63 LYS HA . 34518 1 797 . 1 . 1 63 63 LYS HB2 H 1 1.902 0.020 . 2 . . . . A 63 LYS HB2 . 34518 1 798 . 1 . 1 63 63 LYS HB3 H 1 1.911 0.020 . 2 . . . . A 63 LYS HB3 . 34518 1 799 . 1 . 1 63 63 LYS HG2 H 1 1.464 0.020 . 2 . . . . A 63 LYS HG2 . 34518 1 800 . 1 . 1 63 63 LYS HG3 H 1 1.512 0.020 . 2 . . . . A 63 LYS HG3 . 34518 1 801 . 1 . 1 63 63 LYS HD2 H 1 1.709 0.020 . 2 . . . . A 63 LYS HD2 . 34518 1 802 . 1 . 1 63 63 LYS HD3 H 1 1.900 0.020 . 2 . . . . A 63 LYS HD3 . 34518 1 803 . 1 . 1 63 63 LYS HE2 H 1 2.997 0.020 . 2 . . . . A 63 LYS HE2 . 34518 1 804 . 1 . 1 63 63 LYS HE3 H 1 3.004 0.020 . 2 . . . . A 63 LYS HE3 . 34518 1 805 . 1 . 1 63 63 LYS C C 13 177.988 0.400 . 1 . . . . A 63 LYS C . 34518 1 806 . 1 . 1 63 63 LYS CA C 13 57.481 0.400 . 1 . . . . A 63 LYS CA . 34518 1 807 . 1 . 1 63 63 LYS CB C 13 32.747 0.400 . 1 . . . . A 63 LYS CB . 34518 1 808 . 1 . 1 63 63 LYS CG C 13 25.022 0.400 . 1 . . . . A 63 LYS CG . 34518 1 809 . 1 . 1 63 63 LYS CD C 13 29.137 0.400 . 1 . . . . A 63 LYS CD . 34518 1 810 . 1 . 1 63 63 LYS CE C 13 42.176 0.400 . 1 . . . . A 63 LYS CE . 34518 1 811 . 1 . 1 63 63 LYS N N 15 119.240 0.400 . 1 . . . . A 63 LYS N . 34518 1 812 . 1 . 1 64 64 GLN H H 1 8.218 0.020 . 1 . . . . A 64 GLN H . 34518 1 813 . 1 . 1 64 64 GLN HA H 1 4.252 0.020 . 1 . . . . A 64 GLN HA . 34518 1 814 . 1 . 1 64 64 GLN HB2 H 1 2.099 0.020 . 2 . . . . A 64 GLN HB2 . 34518 1 815 . 1 . 1 64 64 GLN HB3 H 1 2.114 0.020 . 2 . . . . A 64 GLN HB3 . 34518 1 816 . 1 . 1 64 64 GLN HG2 H 1 2.425 0.020 . 2 . . . . A 64 GLN HG2 . 34518 1 817 . 1 . 1 64 64 GLN HG3 H 1 2.420 0.020 . 2 . . . . A 64 GLN HG3 . 34518 1 818 . 1 . 1 64 64 GLN HE21 H 1 7.584 0.020 . 2 . . . . A 64 GLN HE21 . 34518 1 819 . 1 . 1 64 64 GLN HE22 H 1 6.767 0.020 . 2 . . . . A 64 GLN HE22 . 34518 1 820 . 1 . 1 64 64 GLN C C 13 177.664 0.400 . 1 . . . . A 64 GLN C . 34518 1 821 . 1 . 1 64 64 GLN CA C 13 57.173 0.400 . 1 . . . . A 64 GLN CA . 34518 1 822 . 1 . 1 64 64 GLN CB C 13 28.999 0.400 . 1 . . . . A 64 GLN CB . 34518 1 823 . 1 . 1 64 64 GLN CG C 13 33.932 0.400 . 1 . . . . A 64 GLN CG . 34518 1 824 . 1 . 1 64 64 GLN N N 15 119.541 0.400 . 1 . . . . A 64 GLN N . 34518 1 825 . 1 . 1 64 64 GLN NE2 N 15 111.817 0.400 . 1 . . . . A 64 GLN NE2 . 34518 1 826 . 1 . 1 65 65 GLY H H 1 8.362 0.020 . 1 . . . . A 65 GLY H . 34518 1 827 . 1 . 1 65 65 GLY HA2 H 1 3.992 0.020 . 2 . . . . A 65 GLY HA2 . 34518 1 828 . 1 . 1 65 65 GLY HA3 H 1 3.990 0.020 . 2 . . . . A 65 GLY HA3 . 34518 1 829 . 1 . 1 65 65 GLY C C 13 174.743 0.400 . 1 . . . . A 65 GLY C . 34518 1 830 . 1 . 1 65 65 GLY CA C 13 46.207 0.400 . 1 . . . . A 65 GLY CA . 34518 1 831 . 1 . 1 65 65 GLY N N 15 108.866 0.400 . 1 . . . . A 65 GLY N . 34518 1 832 . 1 . 1 66 66 ASP H H 1 8.167 0.020 . 1 . . . . A 66 ASP H . 34518 1 833 . 1 . 1 66 66 ASP HA H 1 4.602 0.020 . 1 . . . . A 66 ASP HA . 34518 1 834 . 1 . 1 66 66 ASP HB2 H 1 2.785 0.020 . 2 . . . . A 66 ASP HB2 . 34518 1 835 . 1 . 1 66 66 ASP HB3 H 1 2.786 0.020 . 2 . . . . A 66 ASP HB3 . 34518 1 836 . 1 . 1 66 66 ASP C C 13 177.760 0.400 . 1 . . . . A 66 ASP C . 34518 1 837 . 1 . 1 66 66 ASP CA C 13 55.670 0.400 . 1 . . . . A 66 ASP CA . 34518 1 838 . 1 . 1 66 66 ASP CB C 13 41.169 0.400 . 1 . . . . A 66 ASP CB . 34518 1 839 . 1 . 1 66 66 ASP N N 15 121.533 0.400 . 1 . . . . A 66 ASP N . 34518 1 840 . 1 . 1 67 67 GLN H H 1 8.525 0.020 . 1 . . . . A 67 GLN H . 34518 1 841 . 1 . 1 67 67 GLN HA H 1 4.114 0.020 . 1 . . . . A 67 GLN HA . 34518 1 842 . 1 . 1 67 67 GLN HB2 H 1 2.143 0.020 . 2 . . . . A 67 GLN HB2 . 34518 1 843 . 1 . 1 67 67 GLN HB3 H 1 2.154 0.020 . 2 . . . . A 67 GLN HB3 . 34518 1 844 . 1 . 1 67 67 GLN HG2 H 1 2.307 0.020 . 2 . . . . A 67 GLN HG2 . 34518 1 845 . 1 . 1 67 67 GLN HG3 H 1 2.409 0.020 . 2 . . . . A 67 GLN HG3 . 34518 1 846 . 1 . 1 67 67 GLN HE21 H 1 6.861 0.020 . 2 . . . . A 67 GLN HE21 . 34518 1 847 . 1 . 1 67 67 GLN HE22 H 1 7.577 0.020 . 2 . . . . A 67 GLN HE22 . 34518 1 848 . 1 . 1 67 67 GLN C C 13 178.425 0.400 . 1 . . . . A 67 GLN C . 34518 1 849 . 1 . 1 67 67 GLN CA C 13 58.664 0.400 . 1 . . . . A 67 GLN CA . 34518 1 850 . 1 . 1 67 67 GLN CB C 13 28.412 0.400 . 1 . . . . A 67 GLN CB . 34518 1 851 . 1 . 1 67 67 GLN CG C 13 33.941 0.400 . 1 . . . . A 67 GLN CG . 34518 1 852 . 1 . 1 67 67 GLN N N 15 120.821 0.400 . 1 . . . . A 67 GLN N . 34518 1 853 . 1 . 1 67 67 GLN NE2 N 15 112.158 0.400 . 1 . . . . A 67 GLN NE2 . 34518 1 854 . 1 . 1 68 68 TRP H H 1 8.323 0.020 . 1 . . . . A 68 TRP H . 34518 1 855 . 1 . 1 68 68 TRP HA H 1 4.676 0.020 . 1 . . . . A 68 TRP HA . 34518 1 856 . 1 . 1 68 68 TRP HB2 H 1 3.425 0.020 . 2 . . . . A 68 TRP HB2 . 34518 1 857 . 1 . 1 68 68 TRP HB3 H 1 3.343 0.020 . 2 . . . . A 68 TRP HB3 . 34518 1 858 . 1 . 1 68 68 TRP HD1 H 1 7.228 0.020 . 1 . . . . A 68 TRP HD1 . 34518 1 859 . 1 . 1 68 68 TRP HE1 H 1 10.759 0.020 . 1 . . . . A 68 TRP HE1 . 34518 1 860 . 1 . 1 68 68 TRP HE3 H 1 7.440 0.020 . 1 . . . . A 68 TRP HE3 . 34518 1 861 . 1 . 1 68 68 TRP HZ2 H 1 7.393 0.020 . 1 . . . . A 68 TRP HZ2 . 34518 1 862 . 1 . 1 68 68 TRP HZ3 H 1 6.878 0.020 . 1 . . . . A 68 TRP HZ3 . 34518 1 863 . 1 . 1 68 68 TRP HH2 H 1 6.885 0.020 . 1 . . . . A 68 TRP HH2 . 34518 1 864 . 1 . 1 68 68 TRP C C 13 176.593 0.400 . 1 . . . . A 68 TRP C . 34518 1 865 . 1 . 1 68 68 TRP CA C 13 59.422 0.400 . 1 . . . . A 68 TRP CA . 34518 1 866 . 1 . 1 68 68 TRP CB C 13 29.375 0.400 . 1 . . . . A 68 TRP CB . 34518 1 867 . 1 . 1 68 68 TRP CD1 C 13 127.206 0.400 . 1 . . . . A 68 TRP CD1 . 34518 1 868 . 1 . 1 68 68 TRP CE3 C 13 121.170 0.400 . 1 . . . . A 68 TRP CE3 . 34518 1 869 . 1 . 1 68 68 TRP CZ2 C 13 113.746 0.400 . 1 . . . . A 68 TRP CZ2 . 34518 1 870 . 1 . 1 68 68 TRP CZ3 C 13 123.668 0.400 . 1 . . . . A 68 TRP CZ3 . 34518 1 871 . 1 . 1 68 68 TRP CH2 C 13 123.702 0.400 . 1 . . . . A 68 TRP CH2 . 34518 1 872 . 1 . 1 68 68 TRP N N 15 121.013 0.400 . 1 . . . . A 68 TRP N . 34518 1 873 . 1 . 1 68 68 TRP NE1 N 15 128.997 0.400 . 1 . . . . A 68 TRP NE1 . 34518 1 874 . 1 . 1 69 69 VAL H H 1 7.840 0.020 . 1 . . . . A 69 VAL H . 34518 1 875 . 1 . 1 69 69 VAL HA H 1 3.824 0.020 . 1 . . . . A 69 VAL HA . 34518 1 876 . 1 . 1 69 69 VAL HB H 1 2.186 0.020 . 1 . . . . A 69 VAL HB . 34518 1 877 . 1 . 1 69 69 VAL HG11 H 1 0.964 0.020 . 2 . . . . A 69 VAL HG11 . 34518 1 878 . 1 . 1 69 69 VAL HG12 H 1 0.964 0.020 . 2 . . . . A 69 VAL HG12 . 34518 1 879 . 1 . 1 69 69 VAL HG13 H 1 0.964 0.020 . 2 . . . . A 69 VAL HG13 . 34518 1 880 . 1 . 1 69 69 VAL HG21 H 1 1.154 0.020 . 2 . . . . A 69 VAL HG21 . 34518 1 881 . 1 . 1 69 69 VAL HG22 H 1 1.154 0.020 . 2 . . . . A 69 VAL HG22 . 34518 1 882 . 1 . 1 69 69 VAL HG23 H 1 1.154 0.020 . 2 . . . . A 69 VAL HG23 . 34518 1 883 . 1 . 1 69 69 VAL C C 13 178.495 0.400 . 1 . . . . A 69 VAL C . 34518 1 884 . 1 . 1 69 69 VAL CA C 13 65.930 0.400 . 1 . . . . A 69 VAL CA . 34518 1 885 . 1 . 1 69 69 VAL CB C 13 31.819 0.400 . 1 . . . . A 69 VAL CB . 34518 1 886 . 1 . 1 69 69 VAL CG1 C 13 21.127 0.400 . 2 . . . . A 69 VAL CG1 . 34518 1 887 . 1 . 1 69 69 VAL CG2 C 13 22.731 0.400 . 2 . . . . A 69 VAL CG2 . 34518 1 888 . 1 . 1 69 69 VAL N N 15 118.259 0.400 . 1 . . . . A 69 VAL N . 34518 1 889 . 1 . 1 70 70 GLN H H 1 8.074 0.020 . 1 . . . . A 70 GLN H . 34518 1 890 . 1 . 1 70 70 GLN HA H 1 4.108 0.020 . 1 . . . . A 70 GLN HA . 34518 1 891 . 1 . 1 70 70 GLN HB2 H 1 2.111 0.020 . 2 . . . . A 70 GLN HB2 . 34518 1 892 . 1 . 1 70 70 GLN HB3 H 1 2.155 0.020 . 2 . . . . A 70 GLN HB3 . 34518 1 893 . 1 . 1 70 70 GLN HG2 H 1 2.449 0.020 . 2 . . . . A 70 GLN HG2 . 34518 1 894 . 1 . 1 70 70 GLN HG3 H 1 2.479 0.020 . 2 . . . . A 70 GLN HG3 . 34518 1 895 . 1 . 1 70 70 GLN HE21 H 1 6.877 0.020 . 2 . . . . A 70 GLN HE21 . 34518 1 896 . 1 . 1 70 70 GLN HE22 H 1 7.722 0.020 . 2 . . . . A 70 GLN HE22 . 34518 1 897 . 1 . 1 70 70 GLN C C 13 178.328 0.400 . 1 . . . . A 70 GLN C . 34518 1 898 . 1 . 1 70 70 GLN CA C 13 58.604 0.400 . 1 . . . . A 70 GLN CA . 34518 1 899 . 1 . 1 70 70 GLN CB C 13 28.320 0.400 . 1 . . . . A 70 GLN CB . 34518 1 900 . 1 . 1 70 70 GLN CG C 13 34.035 0.400 . 1 . . . . A 70 GLN CG . 34518 1 901 . 1 . 1 70 70 GLN N N 15 119.003 0.400 . 1 . . . . A 70 GLN N . 34518 1 902 . 1 . 1 70 70 GLN NE2 N 15 112.288 0.400 . 1 . . . . A 70 GLN NE2 . 34518 1 903 . 1 . 1 71 71 LEU H H 1 8.029 0.020 . 1 . . . . A 71 LEU H . 34518 1 904 . 1 . 1 71 71 LEU HA H 1 3.945 0.020 . 1 . . . . A 71 LEU HA . 34518 1 905 . 1 . 1 71 71 LEU HB2 H 1 1.687 0.020 . 2 . . . . A 71 LEU HB2 . 34518 1 906 . 1 . 1 71 71 LEU HB3 H 1 1.832 0.020 . 2 . . . . A 71 LEU HB3 . 34518 1 907 . 1 . 1 71 71 LEU HG H 1 1.728 0.020 . 1 . . . . A 71 LEU HG . 34518 1 908 . 1 . 1 71 71 LEU HD11 H 1 0.919 0.020 . 2 . . . . A 71 LEU HD11 . 34518 1 909 . 1 . 1 71 71 LEU HD12 H 1 0.919 0.020 . 2 . . . . A 71 LEU HD12 . 34518 1 910 . 1 . 1 71 71 LEU HD13 H 1 0.919 0.020 . 2 . . . . A 71 LEU HD13 . 34518 1 911 . 1 . 1 71 71 LEU HD21 H 1 0.936 0.020 . 2 . . . . A 71 LEU HD21 . 34518 1 912 . 1 . 1 71 71 LEU HD22 H 1 0.936 0.020 . 2 . . . . A 71 LEU HD22 . 34518 1 913 . 1 . 1 71 71 LEU HD23 H 1 0.936 0.020 . 2 . . . . A 71 LEU HD23 . 34518 1 914 . 1 . 1 71 71 LEU C C 13 178.390 0.400 . 1 . . . . A 71 LEU C . 34518 1 915 . 1 . 1 71 71 LEU CA C 13 58.447 0.400 . 1 . . . . A 71 LEU CA . 34518 1 916 . 1 . 1 71 71 LEU CB C 13 41.937 0.400 . 1 . . . . A 71 LEU CB . 34518 1 917 . 1 . 1 71 71 LEU CG C 13 27.187 0.400 . 1 . . . . A 71 LEU CG . 34518 1 918 . 1 . 1 71 71 LEU CD1 C 13 24.310 0.400 . 2 . . . . A 71 LEU CD1 . 34518 1 919 . 1 . 1 71 71 LEU CD2 C 13 25.155 0.400 . 2 . . . . A 71 LEU CD2 . 34518 1 920 . 1 . 1 71 71 LEU N N 15 122.322 0.400 . 1 . . . . A 71 LEU N . 34518 1 921 . 1 . 1 72 72 LYS H H 1 8.428 0.020 . 1 . . . . A 72 LYS H . 34518 1 922 . 1 . 1 72 72 LYS HA H 1 3.592 0.020 . 1 . . . . A 72 LYS HA . 34518 1 923 . 1 . 1 72 72 LYS HB2 H 1 1.514 0.020 . 2 . . . . A 72 LYS HB2 . 34518 1 924 . 1 . 1 72 72 LYS HB3 H 1 1.516 0.020 . 2 . . . . A 72 LYS HB3 . 34518 1 925 . 1 . 1 72 72 LYS HG2 H 1 1.082 0.020 . 2 . . . . A 72 LYS HG2 . 34518 1 926 . 1 . 1 72 72 LYS HG3 H 1 1.083 0.020 . 2 . . . . A 72 LYS HG3 . 34518 1 927 . 1 . 1 72 72 LYS HD2 H 1 1.637 0.020 . 2 . . . . A 72 LYS HD2 . 34518 1 928 . 1 . 1 72 72 LYS HD3 H 1 1.637 0.020 . 2 . . . . A 72 LYS HD3 . 34518 1 929 . 1 . 1 72 72 LYS HE2 H 1 2.760 0.020 . 2 . . . . A 72 LYS HE2 . 34518 1 930 . 1 . 1 72 72 LYS HE3 H 1 2.860 0.020 . 2 . . . . A 72 LYS HE3 . 34518 1 931 . 1 . 1 72 72 LYS C C 13 178.535 0.400 . 1 . . . . A 72 LYS C . 34518 1 932 . 1 . 1 72 72 LYS CA C 13 60.841 0.400 . 1 . . . . A 72 LYS CA . 34518 1 933 . 1 . 1 72 72 LYS CB C 13 31.888 0.400 . 1 . . . . A 72 LYS CB . 34518 1 934 . 1 . 1 72 72 LYS CG C 13 25.362 0.400 . 1 . . . . A 72 LYS CG . 34518 1 935 . 1 . 1 72 72 LYS CD C 13 29.917 0.400 . 1 . . . . A 72 LYS CD . 34518 1 936 . 1 . 1 72 72 LYS CE C 13 41.899 0.400 . 1 . . . . A 72 LYS CE . 34518 1 937 . 1 . 1 72 72 LYS N N 15 119.055 0.400 . 1 . . . . A 72 LYS N . 34518 1 938 . 1 . 1 73 73 GLN H H 1 7.513 0.020 . 1 . . . . A 73 GLN H . 34518 1 939 . 1 . 1 73 73 GLN HA H 1 4.066 0.020 . 1 . . . . A 73 GLN HA . 34518 1 940 . 1 . 1 73 73 GLN HB2 H 1 1.688 0.020 . 2 . . . . A 73 GLN HB2 . 34518 1 941 . 1 . 1 73 73 GLN HB3 H 1 2.201 0.020 . 2 . . . . A 73 GLN HB3 . 34518 1 942 . 1 . 1 73 73 GLN HG2 H 1 2.470 0.020 . 2 . . . . A 73 GLN HG2 . 34518 1 943 . 1 . 1 73 73 GLN HG3 H 1 2.490 0.020 . 2 . . . . A 73 GLN HG3 . 34518 1 944 . 1 . 1 73 73 GLN HE21 H 1 6.875 0.020 . 2 . . . . A 73 GLN HE21 . 34518 1 945 . 1 . 1 73 73 GLN HE22 H 1 7.517 0.020 . 2 . . . . A 73 GLN HE22 . 34518 1 946 . 1 . 1 73 73 GLN C C 13 178.592 0.400 . 1 . . . . A 73 GLN C . 34518 1 947 . 1 . 1 73 73 GLN CA C 13 58.746 0.400 . 1 . . . . A 73 GLN CA . 34518 1 948 . 1 . 1 73 73 GLN CB C 13 27.872 0.400 . 1 . . . . A 73 GLN CB . 34518 1 949 . 1 . 1 73 73 GLN CG C 13 33.462 0.400 . 1 . . . . A 73 GLN CG . 34518 1 950 . 1 . 1 73 73 GLN N N 15 117.128 0.400 . 1 . . . . A 73 GLN N . 34518 1 951 . 1 . 1 73 73 GLN NE2 N 15 112.258 0.400 . 1 . . . . A 73 GLN NE2 . 34518 1 952 . 1 . 1 74 74 ARG H H 1 8.057 0.020 . 1 . . . . A 74 ARG H . 34518 1 953 . 1 . 1 74 74 ARG HA H 1 4.066 0.020 . 1 . . . . A 74 ARG HA . 34518 1 954 . 1 . 1 74 74 ARG HB2 H 1 1.846 0.020 . 2 . . . . A 74 ARG HB2 . 34518 1 955 . 1 . 1 74 74 ARG HB3 H 1 1.891 0.020 . 2 . . . . A 74 ARG HB3 . 34518 1 956 . 1 . 1 74 74 ARG HG2 H 1 1.695 0.020 . 2 . . . . A 74 ARG HG2 . 34518 1 957 . 1 . 1 74 74 ARG HG3 H 1 1.925 0.020 . 2 . . . . A 74 ARG HG3 . 34518 1 958 . 1 . 1 74 74 ARG HD2 H 1 3.019 0.020 . 2 . . . . A 74 ARG HD2 . 34518 1 959 . 1 . 1 74 74 ARG HD3 H 1 3.237 0.020 . 2 . . . . A 74 ARG HD3 . 34518 1 960 . 1 . 1 74 74 ARG HE H 1 8.057 0.020 . 1 . . . . A 74 ARG HE . 34518 1 961 . 1 . 1 74 74 ARG C C 13 180.345 0.400 . 1 . . . . A 74 ARG C . 34518 1 962 . 1 . 1 74 74 ARG CA C 13 59.752 0.400 . 1 . . . . A 74 ARG CA . 34518 1 963 . 1 . 1 74 74 ARG CB C 13 30.956 0.400 . 1 . . . . A 74 ARG CB . 34518 1 964 . 1 . 1 74 74 ARG CG C 13 27.967 0.400 . 1 . . . . A 74 ARG CG . 34518 1 965 . 1 . 1 74 74 ARG CD C 13 44.137 0.400 . 1 . . . . A 74 ARG CD . 34518 1 966 . 1 . 1 74 74 ARG N N 15 119.888 0.400 . 1 . . . . A 74 ARG N . 34518 1 967 . 1 . 1 75 75 PHE H H 1 8.765 0.020 . 1 . . . . A 75 PHE H . 34518 1 968 . 1 . 1 75 75 PHE HA H 1 4.087 0.020 . 1 . . . . A 75 PHE HA . 34518 1 969 . 1 . 1 75 75 PHE HB2 H 1 3.314 0.020 . 2 . . . . A 75 PHE HB2 . 34518 1 970 . 1 . 1 75 75 PHE HB3 H 1 2.949 0.020 . 2 . . . . A 75 PHE HB3 . 34518 1 971 . 1 . 1 75 75 PHE HD1 H 1 7.180 0.020 . 1 . . . . A 75 PHE HD1 . 34518 1 972 . 1 . 1 75 75 PHE HD2 H 1 7.178 0.020 . 1 . . . . A 75 PHE HD2 . 34518 1 973 . 1 . 1 75 75 PHE HE1 H 1 6.988 0.020 . 1 . . . . A 75 PHE HE1 . 34518 1 974 . 1 . 1 75 75 PHE HE2 H 1 7.169 0.020 . 1 . . . . A 75 PHE HE2 . 34518 1 975 . 1 . 1 75 75 PHE HZ H 1 7.088 0.020 . 1 . . . . A 75 PHE HZ . 34518 1 976 . 1 . 1 75 75 PHE C C 13 177.518 0.400 . 1 . . . . A 75 PHE C . 34518 1 977 . 1 . 1 75 75 PHE CA C 13 63.082 0.400 . 1 . . . . A 75 PHE CA . 34518 1 978 . 1 . 1 75 75 PHE CB C 13 39.709 0.400 . 1 . . . . A 75 PHE CB . 34518 1 979 . 1 . 1 75 75 PHE CD1 C 13 131.829 0.400 . 3 . . . . A 75 PHE CD1 . 34518 1 980 . 1 . 1 75 75 PHE CD2 C 13 131.900 0.400 . 3 . . . . A 75 PHE CD2 . 34518 1 981 . 1 . 1 75 75 PHE CE1 C 13 129.483 0.400 . 3 . . . . A 75 PHE CE1 . 34518 1 982 . 1 . 1 75 75 PHE CE2 C 13 132.016 0.400 . 3 . . . . A 75 PHE CE2 . 34518 1 983 . 1 . 1 75 75 PHE CZ C 13 130.857 0.400 . 1 . . . . A 75 PHE CZ . 34518 1 984 . 1 . 1 75 75 PHE N N 15 121.083 0.400 . 1 . . . . A 75 PHE N . 34518 1 985 . 1 . 1 76 76 ARG H H 1 7.972 0.020 . 1 . . . . A 76 ARG H . 34518 1 986 . 1 . 1 76 76 ARG HA H 1 3.897 0.020 . 1 . . . . A 76 ARG HA . 34518 1 987 . 1 . 1 76 76 ARG HB2 H 1 2.014 0.020 . 2 . . . . A 76 ARG HB2 . 34518 1 988 . 1 . 1 76 76 ARG HB3 H 1 2.046 0.020 . 2 . . . . A 76 ARG HB3 . 34518 1 989 . 1 . 1 76 76 ARG HG2 H 1 1.412 0.020 . 2 . . . . A 76 ARG HG2 . 34518 1 990 . 1 . 1 76 76 ARG HG3 H 1 1.749 0.020 . 2 . . . . A 76 ARG HG3 . 34518 1 991 . 1 . 1 76 76 ARG HD2 H 1 3.186 0.020 . 2 . . . . A 76 ARG HD2 . 34518 1 992 . 1 . 1 76 76 ARG HD3 H 1 3.189 0.020 . 2 . . . . A 76 ARG HD3 . 34518 1 993 . 1 . 1 76 76 ARG HE H 1 7.425 0.020 . 1 . . . . A 76 ARG HE . 34518 1 994 . 1 . 1 76 76 ARG C C 13 178.489 0.400 . 1 . . . . A 76 ARG C . 34518 1 995 . 1 . 1 76 76 ARG CA C 13 59.723 0.400 . 1 . . . . A 76 ARG CA . 34518 1 996 . 1 . 1 76 76 ARG CB C 13 30.034 0.400 . 1 . . . . A 76 ARG CB . 34518 1 997 . 1 . 1 76 76 ARG CG C 13 28.418 0.400 . 1 . . . . A 76 ARG CG . 34518 1 998 . 1 . 1 76 76 ARG CD C 13 43.451 0.400 . 1 . . . . A 76 ARG CD . 34518 1 999 . 1 . 1 76 76 ARG N N 15 118.156 0.400 . 1 . . . . A 76 ARG N . 34518 1 1000 . 1 . 1 77 77 GLU H H 1 8.097 0.020 . 1 . . . . A 77 GLU H . 34518 1 1001 . 1 . 1 77 77 GLU HA H 1 4.132 0.020 . 1 . . . . A 77 GLU HA . 34518 1 1002 . 1 . 1 77 77 GLU HB2 H 1 2.039 0.020 . 2 . . . . A 77 GLU HB2 . 34518 1 1003 . 1 . 1 77 77 GLU HB3 H 1 2.043 0.020 . 2 . . . . A 77 GLU HB3 . 34518 1 1004 . 1 . 1 77 77 GLU HG2 H 1 2.277 0.020 . 2 . . . . A 77 GLU HG2 . 34518 1 1005 . 1 . 1 77 77 GLU HG3 H 1 2.500 0.020 . 2 . . . . A 77 GLU HG3 . 34518 1 1006 . 1 . 1 77 77 GLU C C 13 178.364 0.400 . 1 . . . . A 77 GLU C . 34518 1 1007 . 1 . 1 77 77 GLU CA C 13 59.105 0.400 . 1 . . . . A 77 GLU CA . 34518 1 1008 . 1 . 1 77 77 GLU CB C 13 29.872 0.400 . 1 . . . . A 77 GLU CB . 34518 1 1009 . 1 . 1 77 77 GLU CG C 13 36.417 0.400 . 1 . . . . A 77 GLU CG . 34518 1 1010 . 1 . 1 77 77 GLU N N 15 118.338 0.400 . 1 . . . . A 77 GLU N . 34518 1 1011 . 1 . 1 78 78 ALA H H 1 7.991 0.020 . 1 . . . . A 78 ALA H . 34518 1 1012 . 1 . 1 78 78 ALA HA H 1 4.278 0.020 . 1 . . . . A 78 ALA HA . 34518 1 1013 . 1 . 1 78 78 ALA HB1 H 1 1.508 0.020 . 1 . . . . A 78 ALA HB1 . 34518 1 1014 . 1 . 1 78 78 ALA HB2 H 1 1.508 0.020 . 1 . . . . A 78 ALA HB2 . 34518 1 1015 . 1 . 1 78 78 ALA HB3 H 1 1.508 0.020 . 1 . . . . A 78 ALA HB3 . 34518 1 1016 . 1 . 1 78 78 ALA C C 13 180.516 0.400 . 1 . . . . A 78 ALA C . 34518 1 1017 . 1 . 1 78 78 ALA CA C 13 55.422 0.400 . 1 . . . . A 78 ALA CA . 34518 1 1018 . 1 . 1 78 78 ALA CB C 13 17.868 0.400 . 1 . . . . A 78 ALA CB . 34518 1 1019 . 1 . 1 78 78 ALA N N 15 120.817 0.400 . 1 . . . . A 78 ALA N . 34518 1 1020 . 1 . 1 79 79 ILE H H 1 8.304 0.020 . 1 . . . . A 79 ILE H . 34518 1 1021 . 1 . 1 79 79 ILE HA H 1 3.755 0.020 . 1 . . . . A 79 ILE HA . 34518 1 1022 . 1 . 1 79 79 ILE HB H 1 1.908 0.020 . 1 . . . . A 79 ILE HB . 34518 1 1023 . 1 . 1 79 79 ILE HG12 H 1 1.151 0.020 . 2 . . . . A 79 ILE HG12 . 34518 1 1024 . 1 . 1 79 79 ILE HG13 H 1 1.739 0.020 . 2 . . . . A 79 ILE HG13 . 34518 1 1025 . 1 . 1 79 79 ILE HG21 H 1 0.956 0.020 . 1 . . . . A 79 ILE HG21 . 34518 1 1026 . 1 . 1 79 79 ILE HG22 H 1 0.956 0.020 . 1 . . . . A 79 ILE HG22 . 34518 1 1027 . 1 . 1 79 79 ILE HG23 H 1 0.956 0.020 . 1 . . . . A 79 ILE HG23 . 34518 1 1028 . 1 . 1 79 79 ILE HD11 H 1 0.776 0.020 . 1 . . . . A 79 ILE HD11 . 34518 1 1029 . 1 . 1 79 79 ILE HD12 H 1 0.776 0.020 . 1 . . . . A 79 ILE HD12 . 34518 1 1030 . 1 . 1 79 79 ILE HD13 H 1 0.776 0.020 . 1 . . . . A 79 ILE HD13 . 34518 1 1031 . 1 . 1 79 79 ILE C C 13 179.170 0.400 . 1 . . . . A 79 ILE C . 34518 1 1032 . 1 . 1 79 79 ILE CA C 13 64.609 0.400 . 1 . . . . A 79 ILE CA . 34518 1 1033 . 1 . 1 79 79 ILE CB C 13 37.867 0.400 . 1 . . . . A 79 ILE CB . 34518 1 1034 . 1 . 1 79 79 ILE CG1 C 13 29.945 0.400 . 1 . . . . A 79 ILE CG1 . 34518 1 1035 . 1 . 1 79 79 ILE CG2 C 13 17.514 0.400 . 1 . . . . A 79 ILE CG2 . 34518 1 1036 . 1 . 1 79 79 ILE CD1 C 13 13.747 0.400 . 1 . . . . A 79 ILE CD1 . 34518 1 1037 . 1 . 1 79 79 ILE N N 15 118.639 0.400 . 1 . . . . A 79 ILE N . 34518 1 1038 . 1 . 1 80 80 ASP H H 1 8.276 0.020 . 1 . . . . A 80 ASP H . 34518 1 1039 . 1 . 1 80 80 ASP HA H 1 4.427 0.020 . 1 . . . . A 80 ASP HA . 34518 1 1040 . 1 . 1 80 80 ASP HB2 H 1 2.717 0.020 . 2 . . . . A 80 ASP HB2 . 34518 1 1041 . 1 . 1 80 80 ASP HB3 H 1 2.862 0.020 . 2 . . . . A 80 ASP HB3 . 34518 1 1042 . 1 . 1 80 80 ASP C C 13 178.261 0.400 . 1 . . . . A 80 ASP C . 34518 1 1043 . 1 . 1 80 80 ASP CA C 13 57.460 0.400 . 1 . . . . A 80 ASP CA . 34518 1 1044 . 1 . 1 80 80 ASP CB C 13 41.055 0.400 . 1 . . . . A 80 ASP CB . 34518 1 1045 . 1 . 1 80 80 ASP N N 15 121.938 0.400 . 1 . . . . A 80 ASP N . 34518 1 1046 . 1 . 1 81 81 LYS H H 1 7.867 0.020 . 1 . . . . A 81 LYS H . 34518 1 1047 . 1 . 1 81 81 LYS HA H 1 4.314 0.020 . 1 . . . . A 81 LYS HA . 34518 1 1048 . 1 . 1 81 81 LYS HB2 H 1 1.913 0.020 . 2 . . . . A 81 LYS HB2 . 34518 1 1049 . 1 . 1 81 81 LYS HB3 H 1 1.999 0.020 . 2 . . . . A 81 LYS HB3 . 34518 1 1050 . 1 . 1 81 81 LYS HG2 H 1 1.693 0.020 . 2 . . . . A 81 LYS HG2 . 34518 1 1051 . 1 . 1 81 81 LYS HG3 H 1 1.696 0.020 . 2 . . . . A 81 LYS HG3 . 34518 1 1052 . 1 . 1 81 81 LYS HD2 H 1 1.708 0.020 . 2 . . . . A 81 LYS HD2 . 34518 1 1053 . 1 . 1 81 81 LYS HD3 H 1 1.710 0.020 . 2 . . . . A 81 LYS HD3 . 34518 1 1054 . 1 . 1 81 81 LYS HE2 H 1 3.008 0.020 . 2 . . . . A 81 LYS HE2 . 34518 1 1055 . 1 . 1 81 81 LYS HE3 H 1 3.009 0.020 . 2 . . . . A 81 LYS HE3 . 34518 1 1056 . 1 . 1 81 81 LYS C C 13 177.582 0.400 . 1 . . . . A 81 LYS C . 34518 1 1057 . 1 . 1 81 81 LYS CA C 13 56.488 0.400 . 1 . . . . A 81 LYS CA . 34518 1 1058 . 1 . 1 81 81 LYS CB C 13 33.333 0.400 . 1 . . . . A 81 LYS CB . 34518 1 1059 . 1 . 1 81 81 LYS CG C 13 25.383 0.400 . 1 . . . . A 81 LYS CG . 34518 1 1060 . 1 . 1 81 81 LYS CD C 13 29.118 0.400 . 1 . . . . A 81 LYS CD . 34518 1 1061 . 1 . 1 81 81 LYS CE C 13 42.203 0.400 . 1 . . . . A 81 LYS CE . 34518 1 1062 . 1 . 1 81 81 LYS N N 15 115.199 0.400 . 1 . . . . A 81 LYS N . 34518 1 1063 . 1 . 1 82 82 GLY H H 1 7.931 0.020 . 1 . . . . A 82 GLY H . 34518 1 1064 . 1 . 1 82 82 GLY HA2 H 1 3.908 0.020 . 2 . . . . A 82 GLY HA2 . 34518 1 1065 . 1 . 1 82 82 GLY HA3 H 1 4.097 0.020 . 2 . . . . A 82 GLY HA3 . 34518 1 1066 . 1 . 1 82 82 GLY C C 13 174.844 0.400 . 1 . . . . A 82 GLY C . 34518 1 1067 . 1 . 1 82 82 GLY CA C 13 46.717 0.400 . 1 . . . . A 82 GLY CA . 34518 1 1068 . 1 . 1 82 82 GLY N N 15 110.757 0.400 . 1 . . . . A 82 GLY N . 34518 1 1069 . 1 . 1 83 83 ASP H H 1 8.246 0.020 . 1 . . . . A 83 ASP H . 34518 1 1070 . 1 . 1 83 83 ASP HA H 1 4.811 0.020 . 1 . . . . A 83 ASP HA . 34518 1 1071 . 1 . 1 83 83 ASP HB2 H 1 3.003 0.020 . 2 . . . . A 83 ASP HB2 . 34518 1 1072 . 1 . 1 83 83 ASP HB3 H 1 2.517 0.020 . 2 . . . . A 83 ASP HB3 . 34518 1 1073 . 1 . 1 83 83 ASP C C 13 175.563 0.400 . 1 . . . . A 83 ASP C . 34518 1 1074 . 1 . 1 83 83 ASP CA C 13 52.498 0.400 . 1 . . . . A 83 ASP CA . 34518 1 1075 . 1 . 1 83 83 ASP CB C 13 40.601 0.400 . 1 . . . . A 83 ASP CB . 34518 1 1076 . 1 . 1 83 83 ASP N N 15 118.901 0.400 . 1 . . . . A 83 ASP N . 34518 1 1077 . 1 . 1 84 84 LYS H H 1 8.363 0.020 . 1 . . . . A 84 LYS H . 34518 1 1078 . 1 . 1 84 84 LYS HA H 1 3.919 0.020 . 1 . . . . A 84 LYS HA . 34518 1 1079 . 1 . 1 84 84 LYS HB2 H 1 1.931 0.020 . 2 . . . . A 84 LYS HB2 . 34518 1 1080 . 1 . 1 84 84 LYS HB3 H 1 1.943 0.020 . 2 . . . . A 84 LYS HB3 . 34518 1 1081 . 1 . 1 84 84 LYS HG2 H 1 1.518 0.020 . 2 . . . . A 84 LYS HG2 . 34518 1 1082 . 1 . 1 84 84 LYS HG3 H 1 1.522 0.020 . 2 . . . . A 84 LYS HG3 . 34518 1 1083 . 1 . 1 84 84 LYS HD2 H 1 1.705 0.020 . 2 . . . . A 84 LYS HD2 . 34518 1 1084 . 1 . 1 84 84 LYS HD3 H 1 1.706 0.020 . 2 . . . . A 84 LYS HD3 . 34518 1 1085 . 1 . 1 84 84 LYS HE2 H 1 3.001 0.020 . 2 . . . . A 84 LYS HE2 . 34518 1 1086 . 1 . 1 84 84 LYS HE3 H 1 3.005 0.020 . 2 . . . . A 84 LYS HE3 . 34518 1 1087 . 1 . 1 84 84 LYS C C 13 178.409 0.400 . 1 . . . . A 84 LYS C . 34518 1 1088 . 1 . 1 84 84 LYS CA C 13 59.045 0.400 . 1 . . . . A 84 LYS CA . 34518 1 1089 . 1 . 1 84 84 LYS CB C 13 32.591 0.400 . 1 . . . . A 84 LYS CB . 34518 1 1090 . 1 . 1 84 84 LYS CG C 13 25.131 0.400 . 1 . . . . A 84 LYS CG . 34518 1 1091 . 1 . 1 84 84 LYS CD C 13 29.125 0.400 . 1 . . . . A 84 LYS CD . 34518 1 1092 . 1 . 1 84 84 LYS CE C 13 42.185 0.400 . 1 . . . . A 84 LYS CE . 34518 1 1093 . 1 . 1 84 84 LYS N N 15 125.893 0.400 . 1 . . . . A 84 LYS N . 34518 1 1094 . 1 . 1 85 85 ASP H H 1 8.353 0.020 . 1 . . . . A 85 ASP H . 34518 1 1095 . 1 . 1 85 85 ASP HA H 1 4.452 0.020 . 1 . . . . A 85 ASP HA . 34518 1 1096 . 1 . 1 85 85 ASP HB2 H 1 2.710 0.020 . 2 . . . . A 85 ASP HB2 . 34518 1 1097 . 1 . 1 85 85 ASP HB3 H 1 2.731 0.020 . 2 . . . . A 85 ASP HB3 . 34518 1 1098 . 1 . 1 85 85 ASP C C 13 179.285 0.400 . 1 . . . . A 85 ASP C . 34518 1 1099 . 1 . 1 85 85 ASP CA C 13 57.495 0.400 . 1 . . . . A 85 ASP CA . 34518 1 1100 . 1 . 1 85 85 ASP CB C 13 40.403 0.400 . 1 . . . . A 85 ASP CB . 34518 1 1101 . 1 . 1 85 85 ASP N N 15 119.463 0.400 . 1 . . . . A 85 ASP N . 34518 1 1102 . 1 . 1 86 86 SER H H 1 7.874 0.020 . 1 . . . . A 86 SER H . 34518 1 1103 . 1 . 1 86 86 SER HA H 1 4.241 0.020 . 1 . . . . A 86 SER HA . 34518 1 1104 . 1 . 1 86 86 SER HB2 H 1 3.723 0.020 . 2 . . . . A 86 SER HB2 . 34518 1 1105 . 1 . 1 86 86 SER HB3 H 1 3.725 0.020 . 2 . . . . A 86 SER HB3 . 34518 1 1106 . 1 . 1 86 86 SER C C 13 176.322 0.400 . 1 . . . . A 86 SER C . 34518 1 1107 . 1 . 1 86 86 SER CA C 13 61.266 0.400 . 1 . . . . A 86 SER CA . 34518 1 1108 . 1 . 1 86 86 SER CB C 13 62.526 0.400 . 1 . . . . A 86 SER CB . 34518 1 1109 . 1 . 1 86 86 SER N N 15 115.897 0.400 . 1 . . . . A 86 SER N . 34518 1 1110 . 1 . 1 87 87 LEU H H 1 7.763 0.020 . 1 . . . . A 87 LEU H . 34518 1 1111 . 1 . 1 87 87 LEU HA H 1 3.763 0.020 . 1 . . . . A 87 LEU HA . 34518 1 1112 . 1 . 1 87 87 LEU HB2 H 1 1.589 0.020 . 2 . . . . A 87 LEU HB2 . 34518 1 1113 . 1 . 1 87 87 LEU HB3 H 1 0.719 0.020 . 2 . . . . A 87 LEU HB3 . 34518 1 1114 . 1 . 1 87 87 LEU HG H 1 1.531 0.020 . 1 . . . . A 87 LEU HG . 34518 1 1115 . 1 . 1 87 87 LEU HD11 H 1 0.747 0.020 . 2 . . . . A 87 LEU HD11 . 34518 1 1116 . 1 . 1 87 87 LEU HD12 H 1 0.747 0.020 . 2 . . . . A 87 LEU HD12 . 34518 1 1117 . 1 . 1 87 87 LEU HD13 H 1 0.747 0.020 . 2 . . . . A 87 LEU HD13 . 34518 1 1118 . 1 . 1 87 87 LEU HD21 H 1 0.710 0.020 . 2 . . . . A 87 LEU HD21 . 34518 1 1119 . 1 . 1 87 87 LEU HD22 H 1 0.710 0.020 . 2 . . . . A 87 LEU HD22 . 34518 1 1120 . 1 . 1 87 87 LEU HD23 H 1 0.710 0.020 . 2 . . . . A 87 LEU HD23 . 34518 1 1121 . 1 . 1 87 87 LEU C C 13 177.637 0.400 . 1 . . . . A 87 LEU C . 34518 1 1122 . 1 . 1 87 87 LEU CA C 13 58.464 0.400 . 1 . . . . A 87 LEU CA . 34518 1 1123 . 1 . 1 87 87 LEU CB C 13 41.595 0.400 . 1 . . . . A 87 LEU CB . 34518 1 1124 . 1 . 1 87 87 LEU CG C 13 26.935 0.400 . 1 . . . . A 87 LEU CG . 34518 1 1125 . 1 . 1 87 87 LEU CD1 C 13 24.259 0.400 . 2 . . . . A 87 LEU CD1 . 34518 1 1126 . 1 . 1 87 87 LEU CD2 C 13 25.218 0.400 . 2 . . . . A 87 LEU CD2 . 34518 1 1127 . 1 . 1 87 87 LEU N N 15 121.243 0.400 . 1 . . . . A 87 LEU N . 34518 1 1128 . 1 . 1 88 88 GLU H H 1 8.080 0.020 . 1 . . . . A 88 GLU H . 34518 1 1129 . 1 . 1 88 88 GLU HA H 1 3.848 0.020 . 1 . . . . A 88 GLU HA . 34518 1 1130 . 1 . 1 88 88 GLU HB2 H 1 2.158 0.020 . 2 . . . . A 88 GLU HB2 . 34518 1 1131 . 1 . 1 88 88 GLU HB3 H 1 2.160 0.020 . 2 . . . . A 88 GLU HB3 . 34518 1 1132 . 1 . 1 88 88 GLU HG2 H 1 2.346 0.020 . 2 . . . . A 88 GLU HG2 . 34518 1 1133 . 1 . 1 88 88 GLU HG3 H 1 2.455 0.020 . 2 . . . . A 88 GLU HG3 . 34518 1 1134 . 1 . 1 88 88 GLU C C 13 179.469 0.400 . 1 . . . . A 88 GLU C . 34518 1 1135 . 1 . 1 88 88 GLU CA C 13 59.895 0.400 . 1 . . . . A 88 GLU CA . 34518 1 1136 . 1 . 1 88 88 GLU CB C 13 29.192 0.400 . 1 . . . . A 88 GLU CB . 34518 1 1137 . 1 . 1 88 88 GLU CG C 13 36.323 0.400 . 1 . . . . A 88 GLU CG . 34518 1 1138 . 1 . 1 88 88 GLU N N 15 116.958 0.400 . 1 . . . . A 88 GLU N . 34518 1 1139 . 1 . 1 89 89 GLN H H 1 7.580 0.020 . 1 . . . . A 89 GLN H . 34518 1 1140 . 1 . 1 89 89 GLN HA H 1 4.112 0.020 . 1 . . . . A 89 GLN HA . 34518 1 1141 . 1 . 1 89 89 GLN HB2 H 1 2.160 0.020 . 2 . . . . A 89 GLN HB2 . 34518 1 1142 . 1 . 1 89 89 GLN HB3 H 1 2.161 0.020 . 2 . . . . A 89 GLN HB3 . 34518 1 1143 . 1 . 1 89 89 GLN HG2 H 1 2.429 0.020 . 2 . . . . A 89 GLN HG2 . 34518 1 1144 . 1 . 1 89 89 GLN HG3 H 1 2.481 0.020 . 2 . . . . A 89 GLN HG3 . 34518 1 1145 . 1 . 1 89 89 GLN HE21 H 1 7.647 0.020 . 2 . . . . A 89 GLN HE21 . 34518 1 1146 . 1 . 1 89 89 GLN HE22 H 1 6.869 0.020 . 2 . . . . A 89 GLN HE22 . 34518 1 1147 . 1 . 1 89 89 GLN C C 13 178.952 0.400 . 1 . . . . A 89 GLN C . 34518 1 1148 . 1 . 1 89 89 GLN CA C 13 58.810 0.400 . 1 . . . . A 89 GLN CA . 34518 1 1149 . 1 . 1 89 89 GLN CB C 13 28.337 0.400 . 1 . . . . A 89 GLN CB . 34518 1 1150 . 1 . 1 89 89 GLN CG C 13 34.016 0.400 . 1 . . . . A 89 GLN CG . 34518 1 1151 . 1 . 1 89 89 GLN N N 15 119.005 0.400 . 1 . . . . A 89 GLN N . 34518 1 1152 . 1 . 1 89 89 GLN NE2 N 15 112.723 0.400 . 1 . . . . A 89 GLN NE2 . 34518 1 1153 . 1 . 1 90 90 LEU H H 1 8.181 0.020 . 1 . . . . A 90 LEU H . 34518 1 1154 . 1 . 1 90 90 LEU HA H 1 3.829 0.020 . 1 . . . . A 90 LEU HA . 34518 1 1155 . 1 . 1 90 90 LEU HB2 H 1 1.486 0.020 . 2 . . . . A 90 LEU HB2 . 34518 1 1156 . 1 . 1 90 90 LEU HB3 H 1 1.499 0.020 . 2 . . . . A 90 LEU HB3 . 34518 1 1157 . 1 . 1 90 90 LEU HG H 1 1.518 0.020 . 1 . . . . A 90 LEU HG . 34518 1 1158 . 1 . 1 90 90 LEU HD11 H 1 0.480 0.020 . 2 . . . . A 90 LEU HD11 . 34518 1 1159 . 1 . 1 90 90 LEU HD12 H 1 0.480 0.020 . 2 . . . . A 90 LEU HD12 . 34518 1 1160 . 1 . 1 90 90 LEU HD13 H 1 0.480 0.020 . 2 . . . . A 90 LEU HD13 . 34518 1 1161 . 1 . 1 90 90 LEU HD21 H 1 0.231 0.020 . 2 . . . . A 90 LEU HD21 . 34518 1 1162 . 1 . 1 90 90 LEU HD22 H 1 0.231 0.020 . 2 . . . . A 90 LEU HD22 . 34518 1 1163 . 1 . 1 90 90 LEU HD23 H 1 0.231 0.020 . 2 . . . . A 90 LEU HD23 . 34518 1 1164 . 1 . 1 90 90 LEU C C 13 179.197 0.400 . 1 . . . . A 90 LEU C . 34518 1 1165 . 1 . 1 90 90 LEU CA C 13 57.654 0.400 . 1 . . . . A 90 LEU CA . 34518 1 1166 . 1 . 1 90 90 LEU CB C 13 41.356 0.400 . 1 . . . . A 90 LEU CB . 34518 1 1167 . 1 . 1 90 90 LEU CG C 13 26.476 0.400 . 1 . . . . A 90 LEU CG . 34518 1 1168 . 1 . 1 90 90 LEU CD1 C 13 23.226 0.400 . 2 . . . . A 90 LEU CD1 . 34518 1 1169 . 1 . 1 90 90 LEU CD2 C 13 25.499 0.400 . 2 . . . . A 90 LEU CD2 . 34518 1 1170 . 1 . 1 90 90 LEU N N 15 121.583 0.400 . 1 . . . . A 90 LEU N . 34518 1 1171 . 1 . 1 91 91 LEU H H 1 8.373 0.020 . 1 . . . . A 91 LEU H . 34518 1 1172 . 1 . 1 91 91 LEU HA H 1 4.157 0.020 . 1 . . . . A 91 LEU HA . 34518 1 1173 . 1 . 1 91 91 LEU HB2 H 1 1.520 0.020 . 2 . . . . A 91 LEU HB2 . 34518 1 1174 . 1 . 1 91 91 LEU HB3 H 1 1.875 0.020 . 2 . . . . A 91 LEU HB3 . 34518 1 1175 . 1 . 1 91 91 LEU HG H 1 1.849 0.020 . 1 . . . . A 91 LEU HG . 34518 1 1176 . 1 . 1 91 91 LEU HD11 H 1 0.880 0.020 . 2 . . . . A 91 LEU HD11 . 34518 1 1177 . 1 . 1 91 91 LEU HD12 H 1 0.880 0.020 . 2 . . . . A 91 LEU HD12 . 34518 1 1178 . 1 . 1 91 91 LEU HD13 H 1 0.880 0.020 . 2 . . . . A 91 LEU HD13 . 34518 1 1179 . 1 . 1 91 91 LEU HD21 H 1 0.711 0.020 . 2 . . . . A 91 LEU HD21 . 34518 1 1180 . 1 . 1 91 91 LEU HD22 H 1 0.711 0.020 . 2 . . . . A 91 LEU HD22 . 34518 1 1181 . 1 . 1 91 91 LEU HD23 H 1 0.711 0.020 . 2 . . . . A 91 LEU HD23 . 34518 1 1182 . 1 . 1 91 91 LEU C C 13 179.303 0.400 . 1 . . . . A 91 LEU C . 34518 1 1183 . 1 . 1 91 91 LEU CA C 13 58.372 0.400 . 1 . . . . A 91 LEU CA . 34518 1 1184 . 1 . 1 91 91 LEU CB C 13 41.037 0.400 . 1 . . . . A 91 LEU CB . 34518 1 1185 . 1 . 1 91 91 LEU CG C 13 26.912 0.400 . 1 . . . . A 91 LEU CG . 34518 1 1186 . 1 . 1 91 91 LEU CD1 C 13 23.489 0.400 . 2 . . . . A 91 LEU CD1 . 34518 1 1187 . 1 . 1 91 91 LEU CD2 C 13 25.448 0.400 . 2 . . . . A 91 LEU CD2 . 34518 1 1188 . 1 . 1 91 91 LEU N N 15 119.488 0.400 . 1 . . . . A 91 LEU N . 34518 1 1189 . 1 . 1 92 92 GLU H H 1 7.575 0.020 . 1 . . . . A 92 GLU H . 34518 1 1190 . 1 . 1 92 92 GLU HA H 1 4.173 0.020 . 1 . . . . A 92 GLU HA . 34518 1 1191 . 1 . 1 92 92 GLU HB2 H 1 2.180 0.020 . 2 . . . . A 92 GLU HB2 . 34518 1 1192 . 1 . 1 92 92 GLU HB3 H 1 2.199 0.020 . 2 . . . . A 92 GLU HB3 . 34518 1 1193 . 1 . 1 92 92 GLU HG2 H 1 2.265 0.020 . 2 . . . . A 92 GLU HG2 . 34518 1 1194 . 1 . 1 92 92 GLU HG3 H 1 2.462 0.020 . 2 . . . . A 92 GLU HG3 . 34518 1 1195 . 1 . 1 92 92 GLU C C 13 179.177 0.400 . 1 . . . . A 92 GLU C . 34518 1 1196 . 1 . 1 92 92 GLU CA C 13 59.510 0.400 . 1 . . . . A 92 GLU CA . 34518 1 1197 . 1 . 1 92 92 GLU CB C 13 29.307 0.400 . 1 . . . . A 92 GLU CB . 34518 1 1198 . 1 . 1 92 92 GLU CG C 13 36.374 0.400 . 1 . . . . A 92 GLU CG . 34518 1 1199 . 1 . 1 92 92 GLU N N 15 120.023 0.400 . 1 . . . . A 92 GLU N . 34518 1 1200 . 1 . 1 93 93 GLU H H 1 8.033 0.020 . 1 . . . . A 93 GLU H . 34518 1 1201 . 1 . 1 93 93 GLU HA H 1 4.043 0.020 . 1 . . . . A 93 GLU HA . 34518 1 1202 . 1 . 1 93 93 GLU HB2 H 1 2.170 0.020 . 2 . . . . A 93 GLU HB2 . 34518 1 1203 . 1 . 1 93 93 GLU HB3 H 1 2.262 0.020 . 2 . . . . A 93 GLU HB3 . 34518 1 1204 . 1 . 1 93 93 GLU HG2 H 1 2.187 0.020 . 2 . . . . A 93 GLU HG2 . 34518 1 1205 . 1 . 1 93 93 GLU HG3 H 1 2.498 0.020 . 2 . . . . A 93 GLU HG3 . 34518 1 1206 . 1 . 1 93 93 GLU C C 13 180.177 0.400 . 1 . . . . A 93 GLU C . 34518 1 1207 . 1 . 1 93 93 GLU CA C 13 59.912 0.400 . 1 . . . . A 93 GLU CA . 34518 1 1208 . 1 . 1 93 93 GLU CB C 13 29.477 0.400 . 1 . . . . A 93 GLU CB . 34518 1 1209 . 1 . 1 93 93 GLU CG C 13 36.660 0.400 . 1 . . . . A 93 GLU CG . 34518 1 1210 . 1 . 1 93 93 GLU N N 15 120.629 0.400 . 1 . . . . A 93 GLU N . 34518 1 1211 . 1 . 1 94 94 LEU H H 1 8.908 0.020 . 1 . . . . A 94 LEU H . 34518 1 1212 . 1 . 1 94 94 LEU HA H 1 4.158 0.020 . 1 . . . . A 94 LEU HA . 34518 1 1213 . 1 . 1 94 94 LEU HB2 H 1 1.842 0.020 . 2 . . . . A 94 LEU HB2 . 34518 1 1214 . 1 . 1 94 94 LEU HB3 H 1 2.285 0.020 . 2 . . . . A 94 LEU HB3 . 34518 1 1215 . 1 . 1 94 94 LEU HG H 1 1.735 0.020 . 1 . . . . A 94 LEU HG . 34518 1 1216 . 1 . 1 94 94 LEU HD11 H 1 0.942 0.020 . 2 . . . . A 94 LEU HD11 . 34518 1 1217 . 1 . 1 94 94 LEU HD12 H 1 0.942 0.020 . 2 . . . . A 94 LEU HD12 . 34518 1 1218 . 1 . 1 94 94 LEU HD13 H 1 0.942 0.020 . 2 . . . . A 94 LEU HD13 . 34518 1 1219 . 1 . 1 94 94 LEU HD21 H 1 1.070 0.020 . 2 . . . . A 94 LEU HD21 . 34518 1 1220 . 1 . 1 94 94 LEU HD22 H 1 1.070 0.020 . 2 . . . . A 94 LEU HD22 . 34518 1 1221 . 1 . 1 94 94 LEU HD23 H 1 1.070 0.020 . 2 . . . . A 94 LEU HD23 . 34518 1 1222 . 1 . 1 94 94 LEU C C 13 177.656 0.400 . 1 . . . . A 94 LEU C . 34518 1 1223 . 1 . 1 94 94 LEU CA C 13 58.255 0.400 . 1 . . . . A 94 LEU CA . 34518 1 1224 . 1 . 1 94 94 LEU CB C 13 41.977 0.400 . 1 . . . . A 94 LEU CB . 34518 1 1225 . 1 . 1 94 94 LEU CG C 13 27.156 0.400 . 1 . . . . A 94 LEU CG . 34518 1 1226 . 1 . 1 94 94 LEU CD1 C 13 26.414 0.400 . 2 . . . . A 94 LEU CD1 . 34518 1 1227 . 1 . 1 94 94 LEU CD2 C 13 24.268 0.400 . 2 . . . . A 94 LEU CD2 . 34518 1 1228 . 1 . 1 94 94 LEU N N 15 122.340 0.400 . 1 . . . . A 94 LEU N . 34518 1 1229 . 1 . 1 95 95 GLU H H 1 8.385 0.020 . 1 . . . . A 95 GLU H . 34518 1 1230 . 1 . 1 95 95 GLU HA H 1 4.041 0.020 . 1 . . . . A 95 GLU HA . 34518 1 1231 . 1 . 1 95 95 GLU HB2 H 1 2.201 0.020 . 2 . . . . A 95 GLU HB2 . 34518 1 1232 . 1 . 1 95 95 GLU HB3 H 1 2.243 0.020 . 2 . . . . A 95 GLU HB3 . 34518 1 1233 . 1 . 1 95 95 GLU HG2 H 1 2.257 0.020 . 2 . . . . A 95 GLU HG2 . 34518 1 1234 . 1 . 1 95 95 GLU HG3 H 1 2.480 0.020 . 2 . . . . A 95 GLU HG3 . 34518 1 1235 . 1 . 1 95 95 GLU C C 13 179.916 0.400 . 1 . . . . A 95 GLU C . 34518 1 1236 . 1 . 1 95 95 GLU CA C 13 59.836 0.400 . 1 . . . . A 95 GLU CA . 34518 1 1237 . 1 . 1 95 95 GLU CB C 13 29.349 0.400 . 1 . . . . A 95 GLU CB . 34518 1 1238 . 1 . 1 95 95 GLU CG C 13 36.353 0.400 . 1 . . . . A 95 GLU CG . 34518 1 1239 . 1 . 1 95 95 GLU N N 15 119.735 0.400 . 1 . . . . A 95 GLU N . 34518 1 1240 . 1 . 1 96 96 GLN H H 1 8.025 0.020 . 1 . . . . A 96 GLN H . 34518 1 1241 . 1 . 1 96 96 GLN HA H 1 4.064 0.020 . 1 . . . . A 96 GLN HA . 34518 1 1242 . 1 . 1 96 96 GLN HB2 H 1 2.201 0.020 . 2 . . . . A 96 GLN HB2 . 34518 1 1243 . 1 . 1 96 96 GLN HB3 H 1 2.218 0.020 . 2 . . . . A 96 GLN HB3 . 34518 1 1244 . 1 . 1 96 96 GLN HG2 H 1 2.635 0.020 . 2 . . . . A 96 GLN HG2 . 34518 1 1245 . 1 . 1 96 96 GLN HG3 H 1 2.638 0.020 . 2 . . . . A 96 GLN HG3 . 34518 1 1246 . 1 . 1 96 96 GLN HE21 H 1 7.664 0.020 . 2 . . . . A 96 GLN HE21 . 34518 1 1247 . 1 . 1 96 96 GLN HE22 H 1 6.872 0.020 . 2 . . . . A 96 GLN HE22 . 34518 1 1248 . 1 . 1 96 96 GLN C C 13 178.670 0.400 . 1 . . . . A 96 GLN C . 34518 1 1249 . 1 . 1 96 96 GLN CA C 13 58.788 0.400 . 1 . . . . A 96 GLN CA . 34518 1 1250 . 1 . 1 96 96 GLN CB C 13 28.209 0.400 . 1 . . . . A 96 GLN CB . 34518 1 1251 . 1 . 1 96 96 GLN CG C 13 34.115 0.400 . 1 . . . . A 96 GLN CG . 34518 1 1252 . 1 . 1 96 96 GLN N N 15 117.786 0.400 . 1 . . . . A 96 GLN N . 34518 1 1253 . 1 . 1 96 96 GLN NE2 N 15 112.448 0.400 . 1 . . . . A 96 GLN NE2 . 34518 1 1254 . 1 . 1 97 97 ALA H H 1 8.224 0.020 . 1 . . . . A 97 ALA H . 34518 1 1255 . 1 . 1 97 97 ALA HA H 1 4.194 0.020 . 1 . . . . A 97 ALA HA . 34518 1 1256 . 1 . 1 97 97 ALA HB1 H 1 1.539 0.020 . 1 . . . . A 97 ALA HB1 . 34518 1 1257 . 1 . 1 97 97 ALA HB2 H 1 1.539 0.020 . 1 . . . . A 97 ALA HB2 . 34518 1 1258 . 1 . 1 97 97 ALA HB3 H 1 1.539 0.020 . 1 . . . . A 97 ALA HB3 . 34518 1 1259 . 1 . 1 97 97 ALA C C 13 180.755 0.400 . 1 . . . . A 97 ALA C . 34518 1 1260 . 1 . 1 97 97 ALA CA C 13 55.227 0.400 . 1 . . . . A 97 ALA CA . 34518 1 1261 . 1 . 1 97 97 ALA CB C 13 17.709 0.400 . 1 . . . . A 97 ALA CB . 34518 1 1262 . 1 . 1 97 97 ALA N N 15 123.370 0.400 . 1 . . . . A 97 ALA N . 34518 1 1263 . 1 . 1 98 98 LEU H H 1 8.551 0.020 . 1 . . . . A 98 LEU H . 34518 1 1264 . 1 . 1 98 98 LEU HA H 1 4.033 0.020 . 1 . . . . A 98 LEU HA . 34518 1 1265 . 1 . 1 98 98 LEU HB2 H 1 1.388 0.020 . 2 . . . . A 98 LEU HB2 . 34518 1 1266 . 1 . 1 98 98 LEU HB3 H 1 1.928 0.020 . 2 . . . . A 98 LEU HB3 . 34518 1 1267 . 1 . 1 98 98 LEU HG H 1 1.903 0.020 . 1 . . . . A 98 LEU HG . 34518 1 1268 . 1 . 1 98 98 LEU HD11 H 1 0.781 0.020 . 2 . . . . A 98 LEU HD11 . 34518 1 1269 . 1 . 1 98 98 LEU HD12 H 1 0.781 0.020 . 2 . . . . A 98 LEU HD12 . 34518 1 1270 . 1 . 1 98 98 LEU HD13 H 1 0.781 0.020 . 2 . . . . A 98 LEU HD13 . 34518 1 1271 . 1 . 1 98 98 LEU HD21 H 1 0.654 0.020 . 2 . . . . A 98 LEU HD21 . 34518 1 1272 . 1 . 1 98 98 LEU HD22 H 1 0.654 0.020 . 2 . . . . A 98 LEU HD22 . 34518 1 1273 . 1 . 1 98 98 LEU HD23 H 1 0.654 0.020 . 2 . . . . A 98 LEU HD23 . 34518 1 1274 . 1 . 1 98 98 LEU C C 13 179.175 0.400 . 1 . . . . A 98 LEU C . 34518 1 1275 . 1 . 1 98 98 LEU CA C 13 57.516 0.400 . 1 . . . . A 98 LEU CA . 34518 1 1276 . 1 . 1 98 98 LEU CB C 13 40.749 0.400 . 1 . . . . A 98 LEU CB . 34518 1 1277 . 1 . 1 98 98 LEU CG C 13 26.949 0.400 . 1 . . . . A 98 LEU CG . 34518 1 1278 . 1 . 1 98 98 LEU CD1 C 13 25.395 0.400 . 2 . . . . A 98 LEU CD1 . 34518 1 1279 . 1 . 1 98 98 LEU CD2 C 13 22.921 0.400 . 2 . . . . A 98 LEU CD2 . 34518 1 1280 . 1 . 1 98 98 LEU N N 15 117.624 0.400 . 1 . . . . A 98 LEU N . 34518 1 1281 . 1 . 1 99 99 GLN H H 1 8.117 0.020 . 1 . . . . A 99 GLN H . 34518 1 1282 . 1 . 1 99 99 GLN HA H 1 3.971 0.020 . 1 . . . . A 99 GLN HA . 34518 1 1283 . 1 . 1 99 99 GLN HB2 H 1 2.173 0.020 . 2 . . . . A 99 GLN HB2 . 34518 1 1284 . 1 . 1 99 99 GLN HB3 H 1 2.228 0.020 . 2 . . . . A 99 GLN HB3 . 34518 1 1285 . 1 . 1 99 99 GLN HG2 H 1 2.455 0.020 . 2 . . . . A 99 GLN HG2 . 34518 1 1286 . 1 . 1 99 99 GLN HG3 H 1 2.464 0.020 . 2 . . . . A 99 GLN HG3 . 34518 1 1287 . 1 . 1 99 99 GLN HE21 H 1 6.892 0.020 . 2 . . . . A 99 GLN HE21 . 34518 1 1288 . 1 . 1 99 99 GLN HE22 H 1 7.731 0.020 . 2 . . . . A 99 GLN HE22 . 34518 1 1289 . 1 . 1 99 99 GLN C C 13 178.309 0.400 . 1 . . . . A 99 GLN C . 34518 1 1290 . 1 . 1 99 99 GLN CA C 13 59.143 0.400 . 1 . . . . A 99 GLN CA . 34518 1 1291 . 1 . 1 99 99 GLN CB C 13 27.903 0.400 . 1 . . . . A 99 GLN CB . 34518 1 1292 . 1 . 1 99 99 GLN CG C 13 33.360 0.400 . 1 . . . . A 99 GLN CG . 34518 1 1293 . 1 . 1 99 99 GLN N N 15 120.007 0.400 . 1 . . . . A 99 GLN N . 34518 1 1294 . 1 . 1 99 99 GLN NE2 N 15 112.241 0.400 . 1 . . . . A 99 GLN NE2 . 34518 1 1295 . 1 . 1 100 100 LYS H H 1 7.763 0.020 . 1 . . . . A 100 LYS H . 34518 1 1296 . 1 . 1 100 100 LYS HA H 1 4.098 0.020 . 1 . . . . A 100 LYS HA . 34518 1 1297 . 1 . 1 100 100 LYS HB2 H 1 1.937 0.020 . 2 . . . . A 100 LYS HB2 . 34518 1 1298 . 1 . 1 100 100 LYS HB3 H 1 1.977 0.020 . 2 . . . . A 100 LYS HB3 . 34518 1 1299 . 1 . 1 100 100 LYS HG2 H 1 1.522 0.020 . 2 . . . . A 100 LYS HG2 . 34518 1 1300 . 1 . 1 100 100 LYS HG3 H 1 1.615 0.020 . 2 . . . . A 100 LYS HG3 . 34518 1 1301 . 1 . 1 100 100 LYS HD2 H 1 1.709 0.020 . 2 . . . . A 100 LYS HD2 . 34518 1 1302 . 1 . 1 100 100 LYS HD3 H 1 1.710 0.020 . 2 . . . . A 100 LYS HD3 . 34518 1 1303 . 1 . 1 100 100 LYS HE2 H 1 2.997 0.020 . 2 . . . . A 100 LYS HE2 . 34518 1 1304 . 1 . 1 100 100 LYS HE3 H 1 2.999 0.020 . 2 . . . . A 100 LYS HE3 . 34518 1 1305 . 1 . 1 100 100 LYS C C 13 179.367 0.400 . 1 . . . . A 100 LYS C . 34518 1 1306 . 1 . 1 100 100 LYS CA C 13 58.901 0.400 . 1 . . . . A 100 LYS CA . 34518 1 1307 . 1 . 1 100 100 LYS CB C 13 31.930 0.400 . 1 . . . . A 100 LYS CB . 34518 1 1308 . 1 . 1 100 100 LYS CG C 13 25.120 0.400 . 1 . . . . A 100 LYS CG . 34518 1 1309 . 1 . 1 100 100 LYS CD C 13 29.102 0.400 . 1 . . . . A 100 LYS CD . 34518 1 1310 . 1 . 1 100 100 LYS CE C 13 42.184 0.400 . 1 . . . . A 100 LYS CE . 34518 1 1311 . 1 . 1 100 100 LYS N N 15 118.470 0.400 . 1 . . . . A 100 LYS N . 34518 1 1312 . 1 . 1 101 101 ILE H H 1 7.584 0.020 . 1 . . . . A 101 ILE H . 34518 1 1313 . 1 . 1 101 101 ILE HA H 1 3.705 0.020 . 1 . . . . A 101 ILE HA . 34518 1 1314 . 1 . 1 101 101 ILE HB H 1 1.917 0.020 . 1 . . . . A 101 ILE HB . 34518 1 1315 . 1 . 1 101 101 ILE HG12 H 1 1.115 0.020 . 2 . . . . A 101 ILE HG12 . 34518 1 1316 . 1 . 1 101 101 ILE HG13 H 1 1.718 0.020 . 2 . . . . A 101 ILE HG13 . 34518 1 1317 . 1 . 1 101 101 ILE HG21 H 1 0.720 0.020 . 1 . . . . A 101 ILE HG21 . 34518 1 1318 . 1 . 1 101 101 ILE HG22 H 1 0.720 0.020 . 1 . . . . A 101 ILE HG22 . 34518 1 1319 . 1 . 1 101 101 ILE HG23 H 1 0.720 0.020 . 1 . . . . A 101 ILE HG23 . 34518 1 1320 . 1 . 1 101 101 ILE HD11 H 1 0.781 0.020 . 1 . . . . A 101 ILE HD11 . 34518 1 1321 . 1 . 1 101 101 ILE HD12 H 1 0.781 0.020 . 1 . . . . A 101 ILE HD12 . 34518 1 1322 . 1 . 1 101 101 ILE HD13 H 1 0.781 0.020 . 1 . . . . A 101 ILE HD13 . 34518 1 1323 . 1 . 1 101 101 ILE C C 13 177.979 0.400 . 1 . . . . A 101 ILE C . 34518 1 1324 . 1 . 1 101 101 ILE CA C 13 64.667 0.400 . 1 . . . . A 101 ILE CA . 34518 1 1325 . 1 . 1 101 101 ILE CB C 13 37.918 0.400 . 1 . . . . A 101 ILE CB . 34518 1 1326 . 1 . 1 101 101 ILE CG1 C 13 29.175 0.400 . 1 . . . . A 101 ILE CG1 . 34518 1 1327 . 1 . 1 101 101 ILE CG2 C 13 17.405 0.400 . 1 . . . . A 101 ILE CG2 . 34518 1 1328 . 1 . 1 101 101 ILE CD1 C 13 13.630 0.400 . 1 . . . . A 101 ILE CD1 . 34518 1 1329 . 1 . 1 101 101 ILE N N 15 118.935 0.400 . 1 . . . . A 101 ILE N . 34518 1 1330 . 1 . 1 102 102 ARG H H 1 7.969 0.020 . 1 . . . . A 102 ARG H . 34518 1 1331 . 1 . 1 102 102 ARG HA H 1 3.851 0.020 . 1 . . . . A 102 ARG HA . 34518 1 1332 . 1 . 1 102 102 ARG HB2 H 1 1.869 0.020 . 2 . . . . A 102 ARG HB2 . 34518 1 1333 . 1 . 1 102 102 ARG HB3 H 1 1.870 0.020 . 2 . . . . A 102 ARG HB3 . 34518 1 1334 . 1 . 1 102 102 ARG HG2 H 1 1.411 0.020 . 2 . . . . A 102 ARG HG2 . 34518 1 1335 . 1 . 1 102 102 ARG HG3 H 1 1.420 0.020 . 2 . . . . A 102 ARG HG3 . 34518 1 1336 . 1 . 1 102 102 ARG HD2 H 1 3.185 0.020 . 2 . . . . A 102 ARG HD2 . 34518 1 1337 . 1 . 1 102 102 ARG HD3 H 1 3.187 0.020 . 2 . . . . A 102 ARG HD3 . 34518 1 1338 . 1 . 1 102 102 ARG HE H 1 8.086 0.020 . 1 . . . . A 102 ARG HE . 34518 1 1339 . 1 . 1 102 102 ARG C C 13 178.839 0.400 . 1 . . . . A 102 ARG C . 34518 1 1340 . 1 . 1 102 102 ARG CA C 13 59.798 0.400 . 1 . . . . A 102 ARG CA . 34518 1 1341 . 1 . 1 102 102 ARG CB C 13 30.189 0.400 . 1 . . . . A 102 ARG CB . 34518 1 1342 . 1 . 1 102 102 ARG CG C 13 28.432 0.400 . 1 . . . . A 102 ARG CG . 34518 1 1343 . 1 . 1 102 102 ARG CD C 13 43.487 0.400 . 1 . . . . A 102 ARG CD . 34518 1 1344 . 1 . 1 102 102 ARG N N 15 119.489 0.400 . 1 . . . . A 102 ARG N . 34518 1 1345 . 1 . 1 103 103 GLU H H 1 8.103 0.020 . 1 . . . . A 103 GLU H . 34518 1 1346 . 1 . 1 103 103 GLU HA H 1 4.065 0.020 . 1 . . . . A 103 GLU HA . 34518 1 1347 . 1 . 1 103 103 GLU HB2 H 1 2.102 0.020 . 2 . . . . A 103 GLU HB2 . 34518 1 1348 . 1 . 1 103 103 GLU HB3 H 1 2.133 0.020 . 2 . . . . A 103 GLU HB3 . 34518 1 1349 . 1 . 1 103 103 GLU HG2 H 1 2.266 0.020 . 2 . . . . A 103 GLU HG2 . 34518 1 1350 . 1 . 1 103 103 GLU HG3 H 1 2.491 0.020 . 2 . . . . A 103 GLU HG3 . 34518 1 1351 . 1 . 1 103 103 GLU C C 13 178.632 0.400 . 1 . . . . A 103 GLU C . 34518 1 1352 . 1 . 1 103 103 GLU CA C 13 58.691 0.400 . 1 . . . . A 103 GLU CA . 34518 1 1353 . 1 . 1 103 103 GLU CB C 13 29.594 0.400 . 1 . . . . A 103 GLU CB . 34518 1 1354 . 1 . 1 103 103 GLU CG C 13 36.464 0.400 . 1 . . . . A 103 GLU CG . 34518 1 1355 . 1 . 1 103 103 GLU N N 15 118.564 0.400 . 1 . . . . A 103 GLU N . 34518 1 1356 . 1 . 1 104 104 LEU H H 1 7.820 0.020 . 1 . . . . A 104 LEU H . 34518 1 1357 . 1 . 1 104 104 LEU HA H 1 4.156 0.020 . 1 . . . . A 104 LEU HA . 34518 1 1358 . 1 . 1 104 104 LEU HB2 H 1 1.836 0.020 . 2 . . . . A 104 LEU HB2 . 34518 1 1359 . 1 . 1 104 104 LEU HB3 H 1 1.513 0.020 . 2 . . . . A 104 LEU HB3 . 34518 1 1360 . 1 . 1 104 104 LEU HG H 1 1.844 0.020 . 1 . . . . A 104 LEU HG . 34518 1 1361 . 1 . 1 104 104 LEU HD11 H 1 0.874 0.020 . 2 . . . . A 104 LEU HD11 . 34518 1 1362 . 1 . 1 104 104 LEU HD12 H 1 0.874 0.020 . 2 . . . . A 104 LEU HD12 . 34518 1 1363 . 1 . 1 104 104 LEU HD13 H 1 0.874 0.020 . 2 . . . . A 104 LEU HD13 . 34518 1 1364 . 1 . 1 104 104 LEU HD21 H 1 0.888 0.020 . 2 . . . . A 104 LEU HD21 . 34518 1 1365 . 1 . 1 104 104 LEU HD22 H 1 0.888 0.020 . 2 . . . . A 104 LEU HD22 . 34518 1 1366 . 1 . 1 104 104 LEU HD23 H 1 0.888 0.020 . 2 . . . . A 104 LEU HD23 . 34518 1 1367 . 1 . 1 104 104 LEU C C 13 178.404 0.400 . 1 . . . . A 104 LEU C . 34518 1 1368 . 1 . 1 104 104 LEU CA C 13 57.012 0.400 . 1 . . . . A 104 LEU CA . 34518 1 1369 . 1 . 1 104 104 LEU CB C 13 42.022 0.400 . 1 . . . . A 104 LEU CB . 34518 1 1370 . 1 . 1 104 104 LEU CG C 13 26.838 0.400 . 1 . . . . A 104 LEU CG . 34518 1 1371 . 1 . 1 104 104 LEU CD1 C 13 23.413 0.400 . 2 . . . . A 104 LEU CD1 . 34518 1 1372 . 1 . 1 104 104 LEU CD2 C 13 25.365 0.400 . 2 . . . . A 104 LEU CD2 . 34518 1 1373 . 1 . 1 104 104 LEU N N 15 119.794 0.400 . 1 . . . . A 104 LEU N . 34518 1 1374 . 1 . 1 105 105 ALA H H 1 7.773 0.020 . 1 . . . . A 105 ALA H . 34518 1 1375 . 1 . 1 105 105 ALA HA H 1 4.170 0.020 . 1 . . . . A 105 ALA HA . 34518 1 1376 . 1 . 1 105 105 ALA HB1 H 1 1.455 0.020 . 1 . . . . A 105 ALA HB1 . 34518 1 1377 . 1 . 1 105 105 ALA HB2 H 1 1.455 0.020 . 1 . . . . A 105 ALA HB2 . 34518 1 1378 . 1 . 1 105 105 ALA HB3 H 1 1.455 0.020 . 1 . . . . A 105 ALA HB3 . 34518 1 1379 . 1 . 1 105 105 ALA C C 13 178.285 0.400 . 1 . . . . A 105 ALA C . 34518 1 1380 . 1 . 1 105 105 ALA CA C 13 53.507 0.400 . 1 . . . . A 105 ALA CA . 34518 1 1381 . 1 . 1 105 105 ALA CB C 13 19.284 0.400 . 1 . . . . A 105 ALA CB . 34518 1 1382 . 1 . 1 105 105 ALA N N 15 120.472 0.400 . 1 . . . . A 105 ALA N . 34518 1 1383 . 1 . 1 106 106 GLU H H 1 7.811 0.020 . 1 . . . . A 106 GLU H . 34518 1 1384 . 1 . 1 106 106 GLU HA H 1 4.233 0.020 . 1 . . . . A 106 GLU HA . 34518 1 1385 . 1 . 1 106 106 GLU HB2 H 1 2.031 0.020 . 2 . . . . A 106 GLU HB2 . 34518 1 1386 . 1 . 1 106 106 GLU HB3 H 1 2.094 0.020 . 2 . . . . A 106 GLU HB3 . 34518 1 1387 . 1 . 1 106 106 GLU HG2 H 1 2.274 0.020 . 2 . . . . A 106 GLU HG2 . 34518 1 1388 . 1 . 1 106 106 GLU HG3 H 1 2.409 0.020 . 2 . . . . A 106 GLU HG3 . 34518 1 1389 . 1 . 1 106 106 GLU C C 13 176.591 0.400 . 1 . . . . A 106 GLU C . 34518 1 1390 . 1 . 1 106 106 GLU CA C 13 56.808 0.400 . 1 . . . . A 106 GLU CA . 34518 1 1391 . 1 . 1 106 106 GLU CB C 13 30.154 0.400 . 1 . . . . A 106 GLU CB . 34518 1 1392 . 1 . 1 106 106 GLU CG C 13 36.384 0.400 . 1 . . . . A 106 GLU CG . 34518 1 1393 . 1 . 1 106 106 GLU N N 15 117.650 0.400 . 1 . . . . A 106 GLU N . 34518 1 1394 . 1 . 1 107 107 LYS H H 1 7.960 0.020 . 1 . . . . A 107 LYS H . 34518 1 1395 . 1 . 1 107 107 LYS HA H 1 4.309 0.020 . 1 . . . . A 107 LYS HA . 34518 1 1396 . 1 . 1 107 107 LYS HB2 H 1 1.864 0.020 . 2 . . . . A 107 LYS HB2 . 34518 1 1397 . 1 . 1 107 107 LYS HB3 H 1 1.869 0.020 . 2 . . . . A 107 LYS HB3 . 34518 1 1398 . 1 . 1 107 107 LYS HG2 H 1 1.509 0.020 . 2 . . . . A 107 LYS HG2 . 34518 1 1399 . 1 . 1 107 107 LYS HG3 H 1 1.511 0.020 . 2 . . . . A 107 LYS HG3 . 34518 1 1400 . 1 . 1 107 107 LYS HD2 H 1 1.704 0.020 . 2 . . . . A 107 LYS HD2 . 34518 1 1401 . 1 . 1 107 107 LYS HD3 H 1 1.870 0.020 . 2 . . . . A 107 LYS HD3 . 34518 1 1402 . 1 . 1 107 107 LYS HE2 H 1 2.993 0.020 . 2 . . . . A 107 LYS HE2 . 34518 1 1403 . 1 . 1 107 107 LYS HE3 H 1 3.001 0.020 . 2 . . . . A 107 LYS HE3 . 34518 1 1404 . 1 . 1 107 107 LYS C C 13 176.466 0.400 . 1 . . . . A 107 LYS C . 34518 1 1405 . 1 . 1 107 107 LYS CA C 13 56.568 0.400 . 1 . . . . A 107 LYS CA . 34518 1 1406 . 1 . 1 107 107 LYS CB C 13 32.746 0.400 . 1 . . . . A 107 LYS CB . 34518 1 1407 . 1 . 1 107 107 LYS CG C 13 25.030 0.400 . 1 . . . . A 107 LYS CG . 34518 1 1408 . 1 . 1 107 107 LYS CD C 13 29.185 0.400 . 1 . . . . A 107 LYS CD . 34518 1 1409 . 1 . 1 107 107 LYS CE C 13 42.180 0.400 . 1 . . . . A 107 LYS CE . 34518 1 1410 . 1 . 1 107 107 LYS N N 15 121.516 0.400 . 1 . . . . A 107 LYS N . 34518 1 1411 . 1 . 1 108 108 LYS H H 1 8.342 0.020 . 1 . . . . A 108 LYS H . 34518 1 1412 . 1 . 1 108 108 LYS HA H 1 4.392 0.020 . 1 . . . . A 108 LYS HA . 34518 1 1413 . 1 . 1 108 108 LYS HB2 H 1 1.787 0.020 . 2 . . . . A 108 LYS HB2 . 34518 1 1414 . 1 . 1 108 108 LYS HB3 H 1 1.911 0.020 . 2 . . . . A 108 LYS HB3 . 34518 1 1415 . 1 . 1 108 108 LYS HG2 H 1 1.486 0.020 . 2 . . . . A 108 LYS HG2 . 34518 1 1416 . 1 . 1 108 108 LYS HG3 H 1 1.495 0.020 . 2 . . . . A 108 LYS HG3 . 34518 1 1417 . 1 . 1 108 108 LYS HD2 H 1 1.709 0.020 . 2 . . . . A 108 LYS HD2 . 34518 1 1418 . 1 . 1 108 108 LYS HD3 H 1 1.706 0.020 . 2 . . . . A 108 LYS HD3 . 34518 1 1419 . 1 . 1 108 108 LYS HE2 H 1 3.008 0.020 . 2 . . . . A 108 LYS HE2 . 34518 1 1420 . 1 . 1 108 108 LYS HE3 H 1 3.011 0.020 . 2 . . . . A 108 LYS HE3 . 34518 1 1421 . 1 . 1 108 108 LYS C C 13 175.571 0.400 . 1 . . . . A 108 LYS C . 34518 1 1422 . 1 . 1 108 108 LYS CA C 13 56.176 0.400 . 1 . . . . A 108 LYS CA . 34518 1 1423 . 1 . 1 108 108 LYS CB C 13 33.095 0.400 . 1 . . . . A 108 LYS CB . 34518 1 1424 . 1 . 1 108 108 LYS CG C 13 24.865 0.400 . 1 . . . . A 108 LYS CG . 34518 1 1425 . 1 . 1 108 108 LYS CD C 13 29.096 0.400 . 1 . . . . A 108 LYS CD . 34518 1 1426 . 1 . 1 108 108 LYS CE C 13 42.208 0.400 . 1 . . . . A 108 LYS CE . 34518 1 1427 . 1 . 1 108 108 LYS N N 15 123.347 0.400 . 1 . . . . A 108 LYS N . 34518 1 1428 . 1 . 1 109 109 ASN H H 1 8.078 0.020 . 1 . . . . A 109 ASN H . 34518 1 1429 . 1 . 1 109 109 ASN HA H 1 4.484 0.020 . 1 . . . . A 109 ASN HA . 34518 1 1430 . 1 . 1 109 109 ASN HB2 H 1 2.700 0.020 . 2 . . . . A 109 ASN HB2 . 34518 1 1431 . 1 . 1 109 109 ASN HB3 H 1 2.776 0.020 . 2 . . . . A 109 ASN HB3 . 34518 1 1432 . 1 . 1 109 109 ASN HD21 H 1 7.907 0.020 . 2 . . . . A 109 ASN HD21 . 34518 1 1433 . 1 . 1 109 109 ASN HD22 H 1 8.080 0.020 . 2 . . . . A 109 ASN HD22 . 34518 1 1434 . 1 . 1 109 109 ASN C C 13 179.581 0.400 . 1 . . . . A 109 ASN C . 34518 1 1435 . 1 . 1 109 109 ASN CA C 13 54.794 0.400 . 1 . . . . A 109 ASN CA . 34518 1 1436 . 1 . 1 109 109 ASN CB C 13 40.434 0.400 . 1 . . . . A 109 ASN CB . 34518 1 1437 . 1 . 1 109 109 ASN N N 15 125.335 0.400 . 1 . . . . A 109 ASN N . 34518 1 1438 . 1 . 1 109 109 ASN ND2 N 15 116.952 0.400 . 1 . . . . A 109 ASN ND2 . 34518 1 stop_ save_