data_25689 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25689 _Entry.Title ; 1H, 15N and 13C resonance assignments of the C-terminal domain of the TolAIII domain of Vibrio cholerae. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-02 _Entry.Accession_date 2015-07-02 _Entry.Last_release_date 2016-11-01 _Entry.Original_release_date 2016-11-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Matthieu Nouailler . . . . 25689 2 Romain Navarro . . . . 25689 3 Olivier Bornet . . . . 25689 4 Laetitia Houot . . . . 25689 5 Roland LLoubes . . . . 25689 6 Francoise Guerlesquin . . . . 25689 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CNRS - LISM' . 25689 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25689 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 25689 '15N chemical shifts' 123 25689 '1H chemical shifts' 810 25689 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-11-01 . original BMRB . 25689 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25689 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27436120 _Citation.Full_citation . _Citation.Title ; (1)H, (15)N and (13)C resonance assignments of the C-terminal domain of Vibrio cholerae TolA protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 311 _Citation.Page_last 313 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Romain Navarro . . . . 25689 1 2 Olivier Bornet . . . . 25689 1 3 Laetitia Houot . . . . 25689 1 4 Roland LLoubes . . . . 25689 1 5 Francoise Guerlesquin . . . . 25689 1 6 Matthieu Nouailler . . . . 25689 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TolA 25689 1 Vibrio 25689 1 cholerae 25689 1 domain 25689 1 heteronuclear 25689 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25689 _Assembly.ID 1 _Assembly.Name TolAIII _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 TolAIII 1 $TolAIII A . yes native no no . . . 25689 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TolAIII _Entity.Sf_category entity _Entity.Sf_framecode TolAIII _Entity.Entry_ID 25689 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TolAIII _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEFAALNDIFGSLSEESQQN NAARQQFVTSEVGRYGAIYT QLIRQNLLVEDSFRGKQCRV NLKLIPTGTGALLGSLTVLD GDSRLCAATKRAVAQVNSFP LPKDQPDVVEKLKNINLTVA PEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 25689 1 2 . GLU . 25689 1 3 . PHE . 25689 1 4 . ALA . 25689 1 5 . ALA . 25689 1 6 . LEU . 25689 1 7 . ASN . 25689 1 8 . ASP . 25689 1 9 . ILE . 25689 1 10 . PHE . 25689 1 11 . GLY . 25689 1 12 . SER . 25689 1 13 . LEU . 25689 1 14 . SER . 25689 1 15 . GLU . 25689 1 16 . GLU . 25689 1 17 . SER . 25689 1 18 . GLN . 25689 1 19 . GLN . 25689 1 20 . ASN . 25689 1 21 . ASN . 25689 1 22 . ALA . 25689 1 23 . ALA . 25689 1 24 . ARG . 25689 1 25 . GLN . 25689 1 26 . GLN . 25689 1 27 . PHE . 25689 1 28 . VAL . 25689 1 29 . THR . 25689 1 30 . SER . 25689 1 31 . GLU . 25689 1 32 . VAL . 25689 1 33 . GLY . 25689 1 34 . ARG . 25689 1 35 . TYR . 25689 1 36 . GLY . 25689 1 37 . ALA . 25689 1 38 . ILE . 25689 1 39 . TYR . 25689 1 40 . THR . 25689 1 41 . GLN . 25689 1 42 . LEU . 25689 1 43 . ILE . 25689 1 44 . ARG . 25689 1 45 . GLN . 25689 1 46 . ASN . 25689 1 47 . LEU . 25689 1 48 . LEU . 25689 1 49 . VAL . 25689 1 50 . GLU . 25689 1 51 . ASP . 25689 1 52 . SER . 25689 1 53 . PHE . 25689 1 54 . ARG . 25689 1 55 . GLY . 25689 1 56 . LYS . 25689 1 57 . GLN . 25689 1 58 . CYS . 25689 1 59 . ARG . 25689 1 60 . VAL . 25689 1 61 . ASN . 25689 1 62 . LEU . 25689 1 63 . LYS . 25689 1 64 . LEU . 25689 1 65 . ILE . 25689 1 66 . PRO . 25689 1 67 . THR . 25689 1 68 . GLY . 25689 1 69 . THR . 25689 1 70 . GLY . 25689 1 71 . ALA . 25689 1 72 . LEU . 25689 1 73 . LEU . 25689 1 74 . GLY . 25689 1 75 . SER . 25689 1 76 . LEU . 25689 1 77 . THR . 25689 1 78 . VAL . 25689 1 79 . LEU . 25689 1 80 . ASP . 25689 1 81 . GLY . 25689 1 82 . ASP . 25689 1 83 . SER . 25689 1 84 . ARG . 25689 1 85 . LEU . 25689 1 86 . CYS . 25689 1 87 . ALA . 25689 1 88 . ALA . 25689 1 89 . THR . 25689 1 90 . LYS . 25689 1 91 . ARG . 25689 1 92 . ALA . 25689 1 93 . VAL . 25689 1 94 . ALA . 25689 1 95 . GLN . 25689 1 96 . VAL . 25689 1 97 . ASN . 25689 1 98 . SER . 25689 1 99 . PHE . 25689 1 100 . PRO . 25689 1 101 . LEU . 25689 1 102 . PRO . 25689 1 103 . LYS . 25689 1 104 . ASP . 25689 1 105 . GLN . 25689 1 106 . PRO . 25689 1 107 . ASP . 25689 1 108 . VAL . 25689 1 109 . VAL . 25689 1 110 . GLU . 25689 1 111 . LYS . 25689 1 112 . LEU . 25689 1 113 . LYS . 25689 1 114 . ASN . 25689 1 115 . ILE . 25689 1 116 . ASN . 25689 1 117 . LEU . 25689 1 118 . THR . 25689 1 119 . VAL . 25689 1 120 . ALA . 25689 1 121 . PRO . 25689 1 122 . GLU . 25689 1 123 . HIS . 25689 1 124 . HIS . 25689 1 125 . HIS . 25689 1 126 . HIS . 25689 1 127 . HIS . 25689 1 128 . HIS . 25689 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 25689 1 . GLU 2 2 25689 1 . PHE 3 3 25689 1 . ALA 4 4 25689 1 . ALA 5 5 25689 1 . LEU 6 6 25689 1 . ASN 7 7 25689 1 . ASP 8 8 25689 1 . ILE 9 9 25689 1 . PHE 10 10 25689 1 . GLY 11 11 25689 1 . SER 12 12 25689 1 . LEU 13 13 25689 1 . SER 14 14 25689 1 . GLU 15 15 25689 1 . GLU 16 16 25689 1 . SER 17 17 25689 1 . GLN 18 18 25689 1 . GLN 19 19 25689 1 . ASN 20 20 25689 1 . ASN 21 21 25689 1 . ALA 22 22 25689 1 . ALA 23 23 25689 1 . ARG 24 24 25689 1 . GLN 25 25 25689 1 . GLN 26 26 25689 1 . PHE 27 27 25689 1 . VAL 28 28 25689 1 . THR 29 29 25689 1 . SER 30 30 25689 1 . GLU 31 31 25689 1 . VAL 32 32 25689 1 . GLY 33 33 25689 1 . ARG 34 34 25689 1 . TYR 35 35 25689 1 . GLY 36 36 25689 1 . ALA 37 37 25689 1 . ILE 38 38 25689 1 . TYR 39 39 25689 1 . THR 40 40 25689 1 . GLN 41 41 25689 1 . LEU 42 42 25689 1 . ILE 43 43 25689 1 . ARG 44 44 25689 1 . GLN 45 45 25689 1 . ASN 46 46 25689 1 . LEU 47 47 25689 1 . LEU 48 48 25689 1 . VAL 49 49 25689 1 . GLU 50 50 25689 1 . ASP 51 51 25689 1 . SER 52 52 25689 1 . PHE 53 53 25689 1 . ARG 54 54 25689 1 . GLY 55 55 25689 1 . LYS 56 56 25689 1 . GLN 57 57 25689 1 . CYS 58 58 25689 1 . ARG 59 59 25689 1 . VAL 60 60 25689 1 . ASN 61 61 25689 1 . LEU 62 62 25689 1 . LYS 63 63 25689 1 . LEU 64 64 25689 1 . ILE 65 65 25689 1 . PRO 66 66 25689 1 . THR 67 67 25689 1 . GLY 68 68 25689 1 . THR 69 69 25689 1 . GLY 70 70 25689 1 . ALA 71 71 25689 1 . LEU 72 72 25689 1 . LEU 73 73 25689 1 . GLY 74 74 25689 1 . SER 75 75 25689 1 . LEU 76 76 25689 1 . THR 77 77 25689 1 . VAL 78 78 25689 1 . LEU 79 79 25689 1 . ASP 80 80 25689 1 . GLY 81 81 25689 1 . ASP 82 82 25689 1 . SER 83 83 25689 1 . ARG 84 84 25689 1 . LEU 85 85 25689 1 . CYS 86 86 25689 1 . ALA 87 87 25689 1 . ALA 88 88 25689 1 . THR 89 89 25689 1 . LYS 90 90 25689 1 . ARG 91 91 25689 1 . ALA 92 92 25689 1 . VAL 93 93 25689 1 . ALA 94 94 25689 1 . GLN 95 95 25689 1 . VAL 96 96 25689 1 . ASN 97 97 25689 1 . SER 98 98 25689 1 . PHE 99 99 25689 1 . PRO 100 100 25689 1 . LEU 101 101 25689 1 . PRO 102 102 25689 1 . LYS 103 103 25689 1 . ASP 104 104 25689 1 . GLN 105 105 25689 1 . PRO 106 106 25689 1 . ASP 107 107 25689 1 . VAL 108 108 25689 1 . VAL 109 109 25689 1 . GLU 110 110 25689 1 . LYS 111 111 25689 1 . LEU 112 112 25689 1 . LYS 113 113 25689 1 . ASN 114 114 25689 1 . ILE 115 115 25689 1 . ASN 116 116 25689 1 . LEU 117 117 25689 1 . THR 118 118 25689 1 . VAL 119 119 25689 1 . ALA 120 120 25689 1 . PRO 121 121 25689 1 . GLU 122 122 25689 1 . HIS 123 123 25689 1 . HIS 124 124 25689 1 . HIS 125 125 25689 1 . HIS 126 126 25689 1 . HIS 127 127 25689 1 . HIS 128 128 25689 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 25689 _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 $TolAIII . 666 organism . 'vibrio cholerae' g-proteobacteria . . bacteria . vibrio cholerae . . . . . . . . . . . . . 25689 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 25689 _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 $TolAIII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pinTolAIII . . . 25689 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_1H _Sample.Sf_category sample _Sample.Sf_framecode sample_1_1H _Sample.Entry_ID 25689 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TolAIII 'natural abundance' . . 1 $TolAIII . . 1 . . mM 0.2 . . . 25689 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25689 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25689 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 25689 1 5 NaPo4 'natural abundance' . . . . . . 50 . . mM . . . . 25689 1 stop_ save_ save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 25689 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TolAIII '[U-100% 13C; U-100% 15N]' . . 1 $TolAIII . . 0.6 . . mM 0.2 . . . 25689 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25689 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25689 2 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 25689 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 25689 1 pH 6.9 . pH 25689 1 pressure 1 . atm 25689 1 temperature 300 . K 25689 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25689 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25689 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25689 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25689 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25689 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25689 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 950 . . . 25689 1 2 spectrometer_2 Bruker AMX . 600 . . . 25689 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 25689 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1_1H isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25689 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25689 1 8 '3D HNHA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25689 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25689 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 15 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1_1H isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25689 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25689 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25689 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 25689 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 25689 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 25689 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25689 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25689 1 3 '3D HNCO' . . . 25689 1 4 '3D HNCA' . . . 25689 1 5 '3D HNCACB' . . . 25689 1 6 '3D HN(CO)CA' . . . 25689 1 7 '3D HCCH-TOCSY' . . . 25689 1 8 '3D HNHA' . . . 25689 1 9 '3D 1H-13C NOESY aromatic' . . . 25689 1 10 '3D 1H-13C NOESY aliphatic' . . . 25689 1 12 '3D 1H-15N NOESY' . . . 25689 1 15 '2D 1H-1H TOCSY' . . . 25689 1 16 '3D CBCA(CO)NH' . . . 25689 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.221 0.020 . 1 . . . . 1 ALA H . 25689 1 2 . 1 1 1 1 ALA HA H 1 4.094 0.020 . 1 . . . . 1 ALA HA . 25689 1 3 . 1 1 1 1 ALA HB1 H 1 1.243 0.020 . 1 . . . . 1 ALA HB . 25689 1 4 . 1 1 1 1 ALA HB2 H 1 1.243 0.020 . 1 . . . . 1 ALA HB . 25689 1 5 . 1 1 1 1 ALA HB3 H 1 1.243 0.020 . 1 . . . . 1 ALA HB . 25689 1 6 . 1 1 1 1 ALA C C 13 178.703 0.3 . 1 . . . . 1 ALA C . 25689 1 7 . 1 1 1 1 ALA CA C 13 52.535 0.3 . 1 . . . . 1 ALA CA . 25689 1 8 . 1 1 1 1 ALA CB C 13 18.396 0.3 . 1 . . . . 1 ALA CB . 25689 1 9 . 1 1 1 1 ALA N N 15 128.788 0.3 . 1 . . . . 1 ALA N . 25689 1 10 . 1 1 2 2 GLU H H 1 8.447 0.020 . 1 . . . . 2 GLU H . 25689 1 11 . 1 1 2 2 GLU HA H 1 3.995 0.020 . 1 . . . . 2 GLU HA . 25689 1 12 . 1 1 2 2 GLU HB2 H 1 1.593 0.020 . 1 . . . . 2 GLU HB2 . 25689 1 13 . 1 1 2 2 GLU HB3 H 1 1.593 0.020 . 1 . . . . 2 GLU HB3 . 25689 1 14 . 1 1 2 2 GLU HG2 H 1 1.866 0.020 . 2 . . . . 2 GLU HG2 . 25689 1 15 . 1 1 2 2 GLU HG3 H 1 1.983 0.020 . 2 . . . . 2 GLU HG3 . 25689 1 16 . 1 1 2 2 GLU C C 13 176.644 0.3 . 1 . . . . 2 GLU C . 25689 1 17 . 1 1 2 2 GLU CA C 13 56.649 0.3 . 1 . . . . 2 GLU CA . 25689 1 18 . 1 1 2 2 GLU CB C 13 29.102 0.3 . 1 . . . . 2 GLU CB . 25689 1 19 . 1 1 2 2 GLU CG C 13 35.481 0.3 . 1 . . . . 2 GLU CG . 25689 1 20 . 1 1 2 2 GLU N N 15 119.356 0.3 . 1 . . . . 2 GLU N . 25689 1 21 . 1 1 3 3 PHE H H 1 7.959 0.020 . 1 . . . . 3 PHE H . 25689 1 22 . 1 1 3 3 PHE HA H 1 4.435 0.020 . 1 . . . . 3 PHE HA . 25689 1 23 . 1 1 3 3 PHE HB2 H 1 3.030 0.020 . 2 . . . . 3 PHE HB2 . 25689 1 24 . 1 1 3 3 PHE HB3 H 1 2.886 0.020 . 2 . . . . 3 PHE HB3 . 25689 1 25 . 1 1 3 3 PHE HD1 H 1 7.020 0.020 . 1 . . . . 3 PHE HD1 . 25689 1 26 . 1 1 3 3 PHE HD2 H 1 7.020 0.020 . 1 . . . . 3 PHE HD2 . 25689 1 27 . 1 1 3 3 PHE HE1 H 1 7.137 0.020 . 1 . . . . 3 PHE HE1 . 25689 1 28 . 1 1 3 3 PHE HE2 H 1 7.137 0.020 . 1 . . . . 3 PHE HE2 . 25689 1 29 . 1 1 3 3 PHE C C 13 175.831 0.3 . 1 . . . . 3 PHE C . 25689 1 30 . 1 1 3 3 PHE CA C 13 57.280 0.3 . 1 . . . . 3 PHE CA . 25689 1 31 . 1 1 3 3 PHE CB C 13 38.622 0.3 . 1 . . . . 3 PHE CB . 25689 1 32 . 1 1 3 3 PHE CD1 C 13 131.987 0.3 . 1 . . . . 3 PHE CD1 . 25689 1 33 . 1 1 3 3 PHE CD2 C 13 131.987 0.3 . 1 . . . . 3 PHE CD2 . 25689 1 34 . 1 1 3 3 PHE CE1 C 13 131.327 0.3 . 1 . . . . 3 PHE CE1 . 25689 1 35 . 1 1 3 3 PHE CE2 C 13 131.327 0.3 . 1 . . . . 3 PHE CE2 . 25689 1 36 . 1 1 3 3 PHE N N 15 120.515 0.3 . 1 . . . . 3 PHE N . 25689 1 37 . 1 1 4 4 ALA H H 1 7.960 0.020 . 1 . . . . 4 ALA H . 25689 1 38 . 1 1 4 4 ALA HA H 1 4.069 0.020 . 1 . . . . 4 ALA HA . 25689 1 39 . 1 1 4 4 ALA HB1 H 1 1.262 0.020 . 1 . . . . 4 ALA HB . 25689 1 40 . 1 1 4 4 ALA HB2 H 1 1.262 0.020 . 1 . . . . 4 ALA HB . 25689 1 41 . 1 1 4 4 ALA HB3 H 1 1.262 0.020 . 1 . . . . 4 ALA HB . 25689 1 42 . 1 1 4 4 ALA C C 13 177.403 0.3 . 1 . . . . 4 ALA C . 25689 1 43 . 1 1 4 4 ALA CA C 13 52.288 0.3 . 1 . . . . 4 ALA CA . 25689 1 44 . 1 1 4 4 ALA CB C 13 18.410 0.3 . 1 . . . . 4 ALA CB . 25689 1 45 . 1 1 4 4 ALA N N 15 124.881 0.3 . 1 . . . . 4 ALA N . 25689 1 46 . 1 1 5 5 ALA H H 1 7.981 0.020 . 1 . . . . 5 ALA H . 25689 1 47 . 1 1 5 5 ALA HA H 1 4.099 0.020 . 1 . . . . 5 ALA HA . 25689 1 48 . 1 1 5 5 ALA HB1 H 1 1.253 0.020 . 1 . . . . 5 ALA HB . 25689 1 49 . 1 1 5 5 ALA HB2 H 1 1.253 0.020 . 1 . . . . 5 ALA HB . 25689 1 50 . 1 1 5 5 ALA HB3 H 1 1.253 0.020 . 1 . . . . 5 ALA HB . 25689 1 51 . 1 1 5 5 ALA C C 13 177.972 0.3 . 1 . . . . 5 ALA C . 25689 1 52 . 1 1 5 5 ALA CA C 13 52.102 0.3 . 1 . . . . 5 ALA CA . 25689 1 53 . 1 1 5 5 ALA CB C 13 18.396 0.3 . 1 . . . . 5 ALA CB . 25689 1 54 . 1 1 5 5 ALA N N 15 122.422 0.3 . 1 . . . . 5 ALA N . 25689 1 55 . 1 1 6 6 LEU H H 1 7.924 0.020 . 1 . . . . 6 LEU H . 25689 1 56 . 1 1 6 6 LEU HA H 1 4.118 0.020 . 1 . . . . 6 LEU HA . 25689 1 57 . 1 1 6 6 LEU HB2 H 1 1.527 0.020 . 2 . . . . 6 LEU HB2 . 25689 1 58 . 1 1 6 6 LEU HB3 H 1 1.408 0.020 . 2 . . . . 6 LEU HB3 . 25689 1 59 . 1 1 6 6 LEU HG H 1 1.261 0.020 . 1 . . . . 6 LEU HG . 25689 1 60 . 1 1 6 6 LEU HD11 H 1 0.777 0.020 . 2 . . . . 6 LEU HD1 . 25689 1 61 . 1 1 6 6 LEU HD12 H 1 0.777 0.020 . 2 . . . . 6 LEU HD1 . 25689 1 62 . 1 1 6 6 LEU HD13 H 1 0.777 0.020 . 2 . . . . 6 LEU HD1 . 25689 1 63 . 1 1 6 6 LEU HD21 H 1 0.702 0.020 . 2 . . . . 6 LEU HD2 . 25689 1 64 . 1 1 6 6 LEU HD22 H 1 0.702 0.020 . 2 . . . . 6 LEU HD2 . 25689 1 65 . 1 1 6 6 LEU HD23 H 1 0.702 0.020 . 2 . . . . 6 LEU HD2 . 25689 1 66 . 1 1 6 6 LEU C C 13 177.240 0.3 . 1 . . . . 6 LEU C . 25689 1 67 . 1 1 6 6 LEU CA C 13 54.988 0.3 . 1 . . . . 6 LEU CA . 25689 1 68 . 1 1 6 6 LEU CB C 13 41.568 0.3 . 1 . . . . 6 LEU CB . 25689 1 69 . 1 1 6 6 LEU CG C 13 26.118 0.3 . 1 . . . . 6 LEU CG . 25689 1 70 . 1 1 6 6 LEU CD1 C 13 22.711 0.3 . 1 . . . . 6 LEU CD1 . 25689 1 71 . 1 1 6 6 LEU CD2 C 13 24.415 0.3 . 1 . . . . 6 LEU CD2 . 25689 1 72 . 1 1 6 6 LEU N N 15 120.587 0.3 . 1 . . . . 6 LEU N . 25689 1 73 . 1 1 7 7 ASN H H 1 8.094 0.020 . 1 . . . . 7 ASN H . 25689 1 74 . 1 1 7 7 ASN HA H 1 4.528 0.020 . 1 . . . . 7 ASN HA . 25689 1 75 . 1 1 7 7 ASN HB2 H 1 2.637 0.020 . 2 . . . . 7 ASN HB2 . 25689 1 76 . 1 1 7 7 ASN HB3 H 1 2.519 0.020 . 2 . . . . 7 ASN HB3 . 25689 1 77 . 1 1 7 7 ASN HD21 H 1 7.267 0.020 . 1 . . . . 7 ASN HD21 . 25689 1 78 . 1 1 7 7 ASN HD22 H 1 6.423 0.020 . 1 . . . . 7 ASN HD22 . 25689 1 79 . 1 1 7 7 ASN C C 13 174.801 0.3 . 1 . . . . 7 ASN C . 25689 1 80 . 1 1 7 7 ASN CA C 13 52.807 0.3 . 1 . . . . 7 ASN CA . 25689 1 81 . 1 1 7 7 ASN CB C 13 38.503 0.3 . 1 . . . . 7 ASN CB . 25689 1 82 . 1 1 7 7 ASN N N 15 118.479 0.3 . 1 . . . . 7 ASN N . 25689 1 83 . 1 1 7 7 ASN ND2 N 15 111.427 0.3 . 1 . . . . 7 ASN ND2 . 25689 1 84 . 1 1 8 8 ASP H H 1 8.112 0.020 . 1 . . . . 8 ASP H . 25689 1 85 . 1 1 8 8 ASP HA H 1 4.447 0.020 . 1 . . . . 8 ASP HA . 25689 1 86 . 1 1 8 8 ASP HB2 H 1 2.519 0.020 . 2 . . . . 8 ASP HB2 . 25689 1 87 . 1 1 8 8 ASP HB3 H 1 2.472 0.020 . 2 . . . . 8 ASP HB3 . 25689 1 88 . 1 1 8 8 ASP C C 13 176.373 0.3 . 1 . . . . 8 ASP C . 25689 1 89 . 1 1 8 8 ASP CA C 13 53.679 0.3 . 1 . . . . 8 ASP CA . 25689 1 90 . 1 1 8 8 ASP CB C 13 40.423 0.3 . 1 . . . . 8 ASP CB . 25689 1 91 . 1 1 8 8 ASP N N 15 120.817 0.3 . 1 . . . . 8 ASP N . 25689 1 92 . 1 1 9 9 ILE H H 1 7.788 0.020 . 1 . . . . 9 ILE H . 25689 1 93 . 1 1 9 9 ILE HA H 1 3.905 0.020 . 1 . . . . 9 ILE HA . 25689 1 94 . 1 1 9 9 ILE HB H 1 1.588 0.020 . 1 . . . . 9 ILE HB . 25689 1 95 . 1 1 9 9 ILE HG12 H 1 1.010 0.020 . 2 . . . . 9 ILE HG12 . 25689 1 96 . 1 1 9 9 ILE HG13 H 1 0.877 0.020 . 2 . . . . 9 ILE HG13 . 25689 1 97 . 1 1 9 9 ILE HG21 H 1 0.826 0.020 . 1 . . . . 9 ILE HG2 . 25689 1 98 . 1 1 9 9 ILE HG22 H 1 0.826 0.020 . 1 . . . . 9 ILE HG2 . 25689 1 99 . 1 1 9 9 ILE HG23 H 1 0.826 0.020 . 1 . . . . 9 ILE HG2 . 25689 1 100 . 1 1 9 9 ILE HD11 H 1 0.594 0.020 . 1 . . . . 9 ILE HD1 . 25689 1 101 . 1 1 9 9 ILE HD12 H 1 0.594 0.020 . 1 . . . . 9 ILE HD1 . 25689 1 102 . 1 1 9 9 ILE HD13 H 1 0.594 0.020 . 1 . . . . 9 ILE HD1 . 25689 1 103 . 1 1 9 9 ILE C C 13 176.373 0.3 . 1 . . . . 9 ILE C . 25689 1 104 . 1 1 9 9 ILE CA C 13 61.208 0.3 . 1 . . . . 9 ILE CA . 25689 1 105 . 1 1 9 9 ILE CB C 13 37.722 0.3 . 1 . . . . 9 ILE CB . 25689 1 106 . 1 1 9 9 ILE CG1 C 13 26.271 0.3 . 1 . . . . 9 ILE CG1 . 25689 1 107 . 1 1 9 9 ILE CG2 C 13 16.685 0.3 . 1 . . . . 9 ILE CG2 . 25689 1 108 . 1 1 9 9 ILE CD1 C 13 12.547 0.3 . 1 . . . . 9 ILE CD1 . 25689 1 109 . 1 1 9 9 ILE N N 15 120.073 0.3 . 1 . . . . 9 ILE N . 25689 1 110 . 1 1 10 10 PHE H H 1 8.128 0.020 . 1 . . . . 10 PHE H . 25689 1 111 . 1 1 10 10 PHE HA H 1 4.516 0.020 . 1 . . . . 10 PHE HA . 25689 1 112 . 1 1 10 10 PHE HB2 H 1 3.114 0.020 . 2 . . . . 10 PHE HB2 . 25689 1 113 . 1 1 10 10 PHE HB3 H 1 2.881 0.020 . 2 . . . . 10 PHE HB3 . 25689 1 114 . 1 1 10 10 PHE HD1 H 1 7.159 0.020 . 1 . . . . 10 PHE HD1 . 25689 1 115 . 1 1 10 10 PHE HD2 H 1 7.159 0.020 . 1 . . . . 10 PHE HD2 . 25689 1 116 . 1 1 10 10 PHE HE1 H 1 7.178 0.020 . 1 . . . . 10 PHE HE1 . 25689 1 117 . 1 1 10 10 PHE HE2 H 1 7.178 0.020 . 1 . . . . 10 PHE HE2 . 25689 1 118 . 1 1 10 10 PHE HZ H 1 7.115 0.020 . 1 . . . . 10 PHE HZ . 25689 1 119 . 1 1 10 10 PHE C C 13 176.427 0.3 . 1 . . . . 10 PHE C . 25689 1 120 . 1 1 10 10 PHE CA C 13 57.525 0.3 . 1 . . . . 10 PHE CA . 25689 1 121 . 1 1 10 10 PHE CB C 13 38.459 0.3 . 1 . . . . 10 PHE CB . 25689 1 122 . 1 1 10 10 PHE CD1 C 13 131.327 0.3 . 1 . . . . 10 PHE CD1 . 25689 1 123 . 1 1 10 10 PHE CD2 C 13 131.327 0.3 . 1 . . . . 10 PHE CD2 . 25689 1 124 . 1 1 10 10 PHE CE1 C 13 131.884 0.3 . 1 . . . . 10 PHE CE1 . 25689 1 125 . 1 1 10 10 PHE CE2 C 13 131.884 0.3 . 1 . . . . 10 PHE CE2 . 25689 1 126 . 1 1 10 10 PHE CZ C 13 130.376 0.3 . 1 . . . . 10 PHE CZ . 25689 1 127 . 1 1 10 10 PHE N N 15 122.433 0.3 . 1 . . . . 10 PHE N . 25689 1 128 . 1 1 11 11 GLY H H 1 8.118 0.020 . 1 . . . . 11 GLY H . 25689 1 129 . 1 1 11 11 GLY HA2 H 1 3.804 0.020 . 1 . . . . 11 GLY HA2 . 25689 1 130 . 1 1 11 11 GLY HA3 H 1 3.804 0.020 . 1 . . . . 11 GLY HA3 . 25689 1 131 . 1 1 11 11 GLY C C 13 174.178 0.3 . 1 . . . . 11 GLY C . 25689 1 132 . 1 1 11 11 GLY CA C 13 44.960 0.3 . 1 . . . . 11 GLY CA . 25689 1 133 . 1 1 11 11 GLY N N 15 110.211 0.3 . 1 . . . . 11 GLY N . 25689 1 134 . 1 1 12 12 SER H H 1 8.100 0.020 . 1 . . . . 12 SER H . 25689 1 135 . 1 1 12 12 SER HA H 1 4.336 0.020 . 1 . . . . 12 SER HA . 25689 1 136 . 1 1 12 12 SER HB2 H 1 3.778 0.020 . 1 . . . . 12 SER HB2 . 25689 1 137 . 1 1 12 12 SER HB3 H 1 3.778 0.020 . 1 . . . . 12 SER HB3 . 25689 1 138 . 1 1 12 12 SER C C 13 174.611 0.3 . 1 . . . . 12 SER C . 25689 1 139 . 1 1 12 12 SER CA C 13 57.793 0.3 . 1 . . . . 12 SER CA . 25689 1 140 . 1 1 12 12 SER CB C 13 63.188 0.3 . 1 . . . . 12 SER CB . 25689 1 141 . 1 1 12 12 SER N N 15 115.850 0.3 . 1 . . . . 12 SER N . 25689 1 142 . 1 1 13 13 LEU H H 1 8.217 0.020 . 1 . . . . 13 LEU H . 25689 1 143 . 1 1 13 13 LEU HA H 1 4.255 0.020 . 1 . . . . 13 LEU HA . 25689 1 144 . 1 1 13 13 LEU HB2 H 1 1.452 0.020 . 1 . . . . 13 LEU HB2 . 25689 1 145 . 1 1 13 13 LEU HB3 H 1 1.452 0.020 . 1 . . . . 13 LEU HB3 . 25689 1 146 . 1 1 13 13 LEU HG H 1 1.531 0.020 . 1 . . . . 13 LEU HG . 25689 1 147 . 1 1 13 13 LEU HD11 H 1 0.730 0.020 . 1 . . . . 13 LEU HD1 . 25689 1 148 . 1 1 13 13 LEU HD12 H 1 0.730 0.020 . 1 . . . . 13 LEU HD1 . 25689 1 149 . 1 1 13 13 LEU HD13 H 1 0.730 0.020 . 1 . . . . 13 LEU HD1 . 25689 1 150 . 1 1 13 13 LEU HD21 H 1 0.730 0.020 . 1 . . . . 13 LEU HD2 . 25689 1 151 . 1 1 13 13 LEU HD22 H 1 0.730 0.020 . 1 . . . . 13 LEU HD2 . 25689 1 152 . 1 1 13 13 LEU HD23 H 1 0.730 0.020 . 1 . . . . 13 LEU HD2 . 25689 1 153 . 1 1 13 13 LEU C C 13 177.457 0.3 . 1 . . . . 13 LEU C . 25689 1 154 . 1 1 13 13 LEU CA C 13 54.661 0.3 . 1 . . . . 13 LEU CA . 25689 1 155 . 1 1 13 13 LEU CB C 13 41.568 0.3 . 1 . . . . 13 LEU CB . 25689 1 156 . 1 1 13 13 LEU CG C 13 26.339 0.3 . 1 . . . . 13 LEU CG . 25689 1 157 . 1 1 13 13 LEU CD1 C 13 24.469 0.3 . 1 . . . . 13 LEU CD1 . 25689 1 158 . 1 1 13 13 LEU CD2 C 13 22.843 0.3 . 1 . . . . 13 LEU CD2 . 25689 1 159 . 1 1 13 13 LEU N N 15 123.994 0.3 . 1 . . . . 13 LEU N . 25689 1 160 . 1 1 14 14 SER H H 1 8.203 0.020 . 1 . . . . 14 SER H . 25689 1 161 . 1 1 14 14 SER HA H 1 4.293 0.020 . 1 . . . . 14 SER HA . 25689 1 162 . 1 1 14 14 SER HB2 H 1 3.828 0.020 . 2 . . . . 14 SER HB2 . 25689 1 163 . 1 1 14 14 SER HB3 H 1 3.745 0.020 . 2 . . . . 14 SER HB3 . 25689 1 164 . 1 1 14 14 SER C C 13 174.855 0.3 . 1 . . . . 14 SER C . 25689 1 165 . 1 1 14 14 SER CA C 13 57.793 0.3 . 1 . . . . 14 SER CA . 25689 1 166 . 1 1 14 14 SER CB C 13 63.270 0.3 . 1 . . . . 14 SER CB . 25689 1 167 . 1 1 14 14 SER N N 15 116.833 0.3 . 1 . . . . 14 SER N . 25689 1 168 . 1 1 15 15 GLU H H 1 8.454 0.020 . 1 . . . . 15 GLU H . 25689 1 169 . 1 1 15 15 GLU HA H 1 4.094 0.020 . 1 . . . . 15 GLU HA . 25689 1 170 . 1 1 15 15 GLU HB2 H 1 1.945 0.020 . 2 . . . . 15 GLU HB2 . 25689 1 171 . 1 1 15 15 GLU HB3 H 1 1.839 0.020 . 2 . . . . 15 GLU HB3 . 25689 1 172 . 1 1 15 15 GLU HG2 H 1 2.141 0.020 . 2 . . . . 15 GLU HG2 . 25689 1 173 . 1 1 15 15 GLU HG3 H 1 2.112 0.020 . 2 . . . . 15 GLU HG3 . 25689 1 174 . 1 1 15 15 GLU C C 13 177.240 0.3 . 1 . . . . 15 GLU C . 25689 1 175 . 1 1 15 15 GLU CA C 13 57.116 0.3 . 1 . . . . 15 GLU CA . 25689 1 176 . 1 1 15 15 GLU CB C 13 29.376 0.3 . 1 . . . . 15 GLU CB . 25689 1 177 . 1 1 15 15 GLU CG C 13 35.609 0.3 . 1 . . . . 15 GLU CG . 25689 1 178 . 1 1 15 15 GLU N N 15 123.307 0.3 . 1 . . . . 15 GLU N . 25689 1 179 . 1 1 16 16 GLU H H 1 8.404 0.020 . 1 . . . . 16 GLU H . 25689 1 180 . 1 1 16 16 GLU HA H 1 4.095 0.020 . 1 . . . . 16 GLU HA . 25689 1 181 . 1 1 16 16 GLU HB2 H 1 1.918 0.020 . 2 . . . . 16 GLU HB2 . 25689 1 182 . 1 1 16 16 GLU HB3 H 1 1.826 0.020 . 2 . . . . 16 GLU HB3 . 25689 1 183 . 1 1 16 16 GLU HG2 H 1 2.148 0.020 . 1 . . . . 16 GLU HG2 . 25689 1 184 . 1 1 16 16 GLU HG3 H 1 2.148 0.020 . 1 . . . . 16 GLU HG3 . 25689 1 185 . 1 1 16 16 GLU C C 13 177.240 0.3 . 1 . . . . 16 GLU C . 25689 1 186 . 1 1 16 16 GLU CA C 13 57.012 0.3 . 1 . . . . 16 GLU CA . 25689 1 187 . 1 1 16 16 GLU CB C 13 29.348 0.3 . 1 . . . . 16 GLU CB . 25689 1 188 . 1 1 16 16 GLU CG C 13 35.528 0.3 . 1 . . . . 16 GLU CG . 25689 1 189 . 1 1 16 16 GLU N N 15 121.348 0.3 . 1 . . . . 16 GLU N . 25689 1 190 . 1 1 17 17 SER H H 1 8.142 0.020 . 1 . . . . 17 SER H . 25689 1 191 . 1 1 17 17 SER HA H 1 4.268 0.020 . 1 . . . . 17 SER HA . 25689 1 192 . 1 1 17 17 SER HB2 H 1 3.822 0.020 . 2 . . . . 17 SER HB2 . 25689 1 193 . 1 1 17 17 SER HB3 H 1 3.766 0.020 . 2 . . . . 17 SER HB3 . 25689 1 194 . 1 1 17 17 SER C C 13 175.316 0.3 . 1 . . . . 17 SER C . 25689 1 195 . 1 1 17 17 SER CA C 13 58.693 0.3 . 1 . . . . 17 SER CA . 25689 1 196 . 1 1 17 17 SER CB C 13 62.780 0.3 . 1 . . . . 17 SER CB . 25689 1 197 . 1 1 17 17 SER N N 15 116.320 0.3 . 1 . . . . 17 SER N . 25689 1 198 . 1 1 18 18 GLN H H 1 8.219 0.020 . 1 . . . . 18 GLN H . 25689 1 199 . 1 1 18 18 GLN HA H 1 4.129 0.020 . 1 . . . . 18 GLN HA . 25689 1 200 . 1 1 18 18 GLN HB2 H 1 1.972 0.020 . 2 . . . . 18 GLN HB2 . 25689 1 201 . 1 1 18 18 GLN HB3 H 1 1.901 0.020 . 2 . . . . 18 GLN HB3 . 25689 1 202 . 1 1 18 18 GLN HG2 H 1 2.275 0.020 . 1 . . . . 18 GLN HG2 . 25689 1 203 . 1 1 18 18 GLN HG3 H 1 2.275 0.020 . 1 . . . . 18 GLN HG3 . 25689 1 204 . 1 1 18 18 GLN HE21 H 1 7.368 0.020 . 1 . . . . 18 GLN HE21 . 25689 1 205 . 1 1 18 18 GLN HE22 H 1 6.763 0.020 . 1 . . . . 18 GLN HE22 . 25689 1 206 . 1 1 18 18 GLN C C 13 176.888 0.3 . 1 . . . . 18 GLN C . 25689 1 207 . 1 1 18 18 GLN CA C 13 56.362 0.3 . 1 . . . . 18 GLN CA . 25689 1 208 . 1 1 18 18 GLN CB C 13 28.233 0.3 . 1 . . . . 18 GLN CB . 25689 1 209 . 1 1 18 18 GLN CG C 13 33.095 0.3 . 1 . . . . 18 GLN CG . 25689 1 210 . 1 1 18 18 GLN N N 15 121.877 0.3 . 1 . . . . 18 GLN N . 25689 1 211 . 1 1 18 18 GLN NE2 N 15 112.763 0.3 . 1 . . . . 18 GLN NE2 . 25689 1 212 . 1 1 19 19 GLN H H 1 8.200 0.020 . 1 . . . . 19 GLN H . 25689 1 213 . 1 1 19 19 GLN HA H 1 4.084 0.020 . 1 . . . . 19 GLN HA . 25689 1 214 . 1 1 19 19 GLN HB2 H 1 1.932 0.020 . 1 . . . . 19 GLN HB2 . 25689 1 215 . 1 1 19 19 GLN HB3 H 1 1.932 0.020 . 1 . . . . 19 GLN HB3 . 25689 1 216 . 1 1 19 19 GLN HG2 H 1 2.271 0.020 . 1 . . . . 19 GLN HG2 . 25689 1 217 . 1 1 19 19 GLN HG3 H 1 2.271 0.020 . 1 . . . . 19 GLN HG3 . 25689 1 218 . 1 1 19 19 GLN HE21 H 1 7.523 0.020 . 1 . . . . 19 GLN HE21 . 25689 1 219 . 1 1 19 19 GLN HE22 H 1 6.822 0.020 . 1 . . . . 19 GLN HE22 . 25689 1 220 . 1 1 19 19 GLN C C 13 176.535 0.3 . 1 . . . . 19 GLN C . 25689 1 221 . 1 1 19 19 GLN CA C 13 56.770 0.3 . 1 . . . . 19 GLN CA . 25689 1 222 . 1 1 19 19 GLN CB C 13 30.994 0.3 . 1 . . . . 19 GLN CB . 25689 1 223 . 1 1 19 19 GLN CG C 13 33.897 0.3 . 1 . . . . 19 GLN CG . 25689 1 224 . 1 1 19 19 GLN N N 15 120.152 0.3 . 1 . . . . 19 GLN N . 25689 1 225 . 1 1 19 19 GLN NE2 N 15 113.300 0.3 . 1 . . . . 19 GLN NE2 . 25689 1 226 . 1 1 21 21 ASN C C 13 176.075 0.3 . 1 . . . . 21 ASN C . 25689 1 227 . 1 1 21 21 ASN CA C 13 53.846 0.3 . 1 . . . . 21 ASN CA . 25689 1 228 . 1 1 21 21 ASN CB C 13 37.908 0.3 . 1 . . . . 21 ASN CB . 25689 1 229 . 1 1 22 22 ALA H H 1 8.262 0.020 . 1 . . . . 22 ALA H . 25689 1 230 . 1 1 22 22 ALA HA H 1 4.279 0.020 . 1 . . . . 22 ALA HA . 25689 1 231 . 1 1 22 22 ALA HB1 H 1 1.491 0.020 . 1 . . . . 22 ALA HB . 25689 1 232 . 1 1 22 22 ALA HB2 H 1 1.491 0.020 . 1 . . . . 22 ALA HB . 25689 1 233 . 1 1 22 22 ALA HB3 H 1 1.491 0.020 . 1 . . . . 22 ALA HB . 25689 1 234 . 1 1 22 22 ALA C C 13 179.516 0.3 . 1 . . . . 22 ALA C . 25689 1 235 . 1 1 22 22 ALA CA C 13 54.444 0.3 . 1 . . . . 22 ALA CA . 25689 1 236 . 1 1 22 22 ALA CB C 13 17.583 0.3 . 1 . . . . 22 ALA CB . 25689 1 237 . 1 1 22 22 ALA N N 15 124.411 0.3 . 1 . . . . 22 ALA N . 25689 1 238 . 1 1 23 23 ALA H H 1 8.125 0.020 . 1 . . . . 23 ALA H . 25689 1 239 . 1 1 23 23 ALA HA H 1 4.518 0.020 . 1 . . . . 23 ALA HA . 25689 1 240 . 1 1 23 23 ALA HB1 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 25689 1 241 . 1 1 23 23 ALA HB2 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 25689 1 242 . 1 1 23 23 ALA HB3 H 1 1.366 0.020 . 1 . . . . 23 ALA HB . 25689 1 243 . 1 1 23 23 ALA C C 13 180.438 0.3 . 1 . . . . 23 ALA C . 25689 1 244 . 1 1 23 23 ALA CA C 13 53.843 0.3 . 1 . . . . 23 ALA CA . 25689 1 245 . 1 1 23 23 ALA CB C 13 17.510 0.3 . 1 . . . . 23 ALA CB . 25689 1 246 . 1 1 23 23 ALA N N 15 121.621 0.3 . 1 . . . . 23 ALA N . 25689 1 247 . 1 1 24 24 ARG H H 1 8.087 0.020 . 1 . . . . 24 ARG H . 25689 1 248 . 1 1 24 24 ARG HA H 1 4.160 0.020 . 1 . . . . 24 ARG HA . 25689 1 249 . 1 1 24 24 ARG HB2 H 1 1.960 0.020 . 1 . . . . 24 ARG HB2 . 25689 1 250 . 1 1 24 24 ARG HB3 H 1 1.960 0.020 . 1 . . . . 24 ARG HB3 . 25689 1 251 . 1 1 24 24 ARG HG2 H 1 1.850 0.020 . 1 . . . . 24 ARG HG2 . 25689 1 252 . 1 1 24 24 ARG HG3 H 1 1.850 0.020 . 1 . . . . 24 ARG HG3 . 25689 1 253 . 1 1 24 24 ARG HD2 H 1 2.461 0.020 . 1 . . . . 24 ARG HD2 . 25689 1 254 . 1 1 24 24 ARG HD3 H 1 2.461 0.020 . 1 . . . . 24 ARG HD3 . 25689 1 255 . 1 1 24 24 ARG C C 13 177.999 0.3 . 1 . . . . 24 ARG C . 25689 1 256 . 1 1 24 24 ARG CA C 13 57.280 0.3 . 1 . . . . 24 ARG CA . 25689 1 257 . 1 1 24 24 ARG CB C 13 28.803 0.3 . 1 . . . . 24 ARG CB . 25689 1 258 . 1 1 24 24 ARG CG C 13 25.469 0.3 . 1 . . . . 24 ARG CG . 25689 1 259 . 1 1 24 24 ARG CD C 13 41.298 0.3 . 1 . . . . 24 ARG CD . 25689 1 260 . 1 1 24 24 ARG N N 15 120.543 0.3 . 1 . . . . 24 ARG N . 25689 1 261 . 1 1 25 25 GLN H H 1 8.158 0.020 . 1 . . . . 25 GLN H . 25689 1 262 . 1 1 25 25 GLN HA H 1 3.995 0.020 . 1 . . . . 25 GLN HA . 25689 1 263 . 1 1 25 25 GLN HB2 H 1 2.078 0.020 . 1 . . . . 25 GLN HB2 . 25689 1 264 . 1 1 25 25 GLN HB3 H 1 2.078 0.020 . 1 . . . . 25 GLN HB3 . 25689 1 265 . 1 1 25 25 GLN HG2 H 1 2.386 0.020 . 2 . . . . 25 GLN HG2 . 25689 1 266 . 1 1 25 25 GLN HG3 H 1 2.323 0.020 . 2 . . . . 25 GLN HG3 . 25689 1 267 . 1 1 25 25 GLN HE21 H 1 7.397 0.020 . 1 . . . . 25 GLN HE21 . 25689 1 268 . 1 1 25 25 GLN HE22 H 1 6.800 0.020 . 1 . . . . 25 GLN HE22 . 25689 1 269 . 1 1 25 25 GLN C C 13 178.595 0.3 . 1 . . . . 25 GLN C . 25689 1 270 . 1 1 25 25 GLN CA C 13 58.232 0.3 . 1 . . . . 25 GLN CA . 25689 1 271 . 1 1 25 25 GLN CB C 13 27.502 0.3 . 1 . . . . 25 GLN CB . 25689 1 272 . 1 1 25 25 GLN CG C 13 33.319 0.3 . 1 . . . . 25 GLN CG . 25689 1 273 . 1 1 25 25 GLN N N 15 118.694 0.3 . 1 . . . . 25 GLN N . 25689 1 274 . 1 1 25 25 GLN NE2 N 15 112.155 0.3 . 1 . . . . 25 GLN NE2 . 25689 1 275 . 1 1 26 26 GLN H H 1 8.004 0.020 . 1 . . . . 26 GLN H . 25689 1 276 . 1 1 26 26 GLN HA H 1 4.001 0.020 . 1 . . . . 26 GLN HA . 25689 1 277 . 1 1 26 26 GLN HB2 H 1 2.090 0.020 . 1 . . . . 26 GLN HB2 . 25689 1 278 . 1 1 26 26 GLN HB3 H 1 2.090 0.020 . 1 . . . . 26 GLN HB3 . 25689 1 279 . 1 1 26 26 GLN HG2 H 1 2.369 0.020 . 1 . . . . 26 GLN HG2 . 25689 1 280 . 1 1 26 26 GLN HG3 H 1 2.369 0.020 . 1 . . . . 26 GLN HG3 . 25689 1 281 . 1 1 26 26 GLN HE21 H 1 7.410 0.020 . 1 . . . . 26 GLN HE21 . 25689 1 282 . 1 1 26 26 GLN HE22 H 1 6.726 0.020 . 1 . . . . 26 GLN HE22 . 25689 1 283 . 1 1 26 26 GLN C C 13 178.161 0.3 . 1 . . . . 26 GLN C . 25689 1 284 . 1 1 26 26 GLN CA C 13 58.044 0.3 . 1 . . . . 26 GLN CA . 25689 1 285 . 1 1 26 26 GLN CB C 13 27.908 0.3 . 1 . . . . 26 GLN CB . 25689 1 286 . 1 1 26 26 GLN CG C 13 33.014 0.3 . 1 . . . . 26 GLN CG . 25689 1 287 . 1 1 26 26 GLN N N 15 119.621 0.3 . 1 . . . . 26 GLN N . 25689 1 288 . 1 1 26 26 GLN NE2 N 15 113.316 0.3 . 1 . . . . 26 GLN NE2 . 25689 1 289 . 1 1 27 27 PHE H H 1 7.884 0.020 . 1 . . . . 27 PHE H . 25689 1 290 . 1 1 27 27 PHE HA H 1 4.242 0.020 . 1 . . . . 27 PHE HA . 25689 1 291 . 1 1 27 27 PHE HB2 H 1 3.196 0.020 . 2 . . . . 27 PHE HB2 . 25689 1 292 . 1 1 27 27 PHE HB3 H 1 3.175 0.020 . 2 . . . . 27 PHE HB3 . 25689 1 293 . 1 1 27 27 PHE HD1 H 1 7.098 0.020 . 1 . . . . 27 PHE HD1 . 25689 1 294 . 1 1 27 27 PHE HD2 H 1 7.098 0.020 . 1 . . . . 27 PHE HD2 . 25689 1 295 . 1 1 27 27 PHE HE1 H 1 7.300 0.020 . 1 . . . . 27 PHE HE1 . 25689 1 296 . 1 1 27 27 PHE HE2 H 1 7.300 0.020 . 1 . . . . 27 PHE HE2 . 25689 1 297 . 1 1 27 27 PHE HZ H 1 7.180 0.020 . 1 . . . . 27 PHE HZ . 25689 1 298 . 1 1 27 27 PHE C C 13 176.806 0.3 . 1 . . . . 27 PHE C . 25689 1 299 . 1 1 27 27 PHE CA C 13 60.559 0.3 . 1 . . . . 27 PHE CA . 25689 1 300 . 1 1 27 27 PHE CB C 13 38.151 0.3 . 1 . . . . 27 PHE CB . 25689 1 301 . 1 1 27 27 PHE CD1 C 13 131.333 0.3 . 1 . . . . 27 PHE CD1 . 25689 1 302 . 1 1 27 27 PHE CD2 C 13 131.333 0.3 . 1 . . . . 27 PHE CD2 . 25689 1 303 . 1 1 27 27 PHE CE1 C 13 131.642 0.3 . 1 . . . . 27 PHE CE1 . 25689 1 304 . 1 1 27 27 PHE CE2 C 13 131.642 0.3 . 1 . . . . 27 PHE CE2 . 25689 1 305 . 1 1 27 27 PHE CZ C 13 131.635 0.3 . 1 . . . . 27 PHE CZ . 25689 1 306 . 1 1 27 27 PHE N N 15 122.304 0.3 . 1 . . . . 27 PHE N . 25689 1 307 . 1 1 28 28 VAL H H 1 8.534 0.020 . 1 . . . . 28 VAL H . 25689 1 308 . 1 1 28 28 VAL HA H 1 3.166 0.020 . 1 . . . . 28 VAL HA . 25689 1 309 . 1 1 28 28 VAL HB H 1 2.085 0.020 . 1 . . . . 28 VAL HB . 25689 1 310 . 1 1 28 28 VAL HG11 H 1 1.006 0.020 . 2 . . . . 28 VAL HG1 . 25689 1 311 . 1 1 28 28 VAL HG12 H 1 1.006 0.020 . 2 . . . . 28 VAL HG1 . 25689 1 312 . 1 1 28 28 VAL HG13 H 1 1.006 0.020 . 2 . . . . 28 VAL HG1 . 25689 1 313 . 1 1 28 28 VAL HG21 H 1 0.759 0.020 . 2 . . . . 28 VAL HG2 . 25689 1 314 . 1 1 28 28 VAL HG22 H 1 0.759 0.020 . 2 . . . . 28 VAL HG2 . 25689 1 315 . 1 1 28 28 VAL HG23 H 1 0.759 0.020 . 2 . . . . 28 VAL HG2 . 25689 1 316 . 1 1 28 28 VAL C C 13 177.484 0.3 . 1 . . . . 28 VAL C . 25689 1 317 . 1 1 28 28 VAL CA C 13 66.376 0.3 . 1 . . . . 28 VAL CA . 25689 1 318 . 1 1 28 28 VAL CB C 13 31.064 0.3 . 1 . . . . 28 VAL CB . 25689 1 319 . 1 1 28 28 VAL CG1 C 13 22.88 0.3 . 1 . . . . 28 VAL CG1 . 25689 1 320 . 1 1 28 28 VAL CG2 C 13 22.880 0.3 . 1 . . . . 28 VAL CG2 . 25689 1 321 . 1 1 28 28 VAL N N 15 120.477 0.3 . 1 . . . . 28 VAL N . 25689 1 322 . 1 1 29 29 THR H H 1 8.123 0.020 . 1 . . . . 29 THR H . 25689 1 323 . 1 1 29 29 THR HA H 1 3.686 0.020 . 1 . . . . 29 THR HA . 25689 1 324 . 1 1 29 29 THR HB H 1 4.150 0.020 . 1 . . . . 29 THR HB . 25689 1 325 . 1 1 29 29 THR HG21 H 1 1.151 0.020 . 1 . . . . 29 THR HG2 . 25689 1 326 . 1 1 29 29 THR HG22 H 1 1.151 0.020 . 1 . . . . 29 THR HG2 . 25689 1 327 . 1 1 29 29 THR HG23 H 1 1.151 0.020 . 1 . . . . 29 THR HG2 . 25689 1 328 . 1 1 29 29 THR C C 13 177.321 0.3 . 1 . . . . 29 THR C . 25689 1 329 . 1 1 29 29 THR CA C 13 66.540 0.3 . 1 . . . . 29 THR CA . 25689 1 330 . 1 1 29 29 THR CB C 13 68.174 0.3 . 1 . . . . 29 THR CB . 25689 1 331 . 1 1 29 29 THR N N 15 114.839 0.3 . 1 . . . . 29 THR N . 25689 1 332 . 1 1 30 30 SER H H 1 8.041 0.020 . 1 . . . . 30 SER H . 25689 1 333 . 1 1 30 30 SER HA H 1 4.135 0.020 . 1 . . . . 30 SER HA . 25689 1 334 . 1 1 30 30 SER HB2 H 1 3.912 0.020 . 1 . . . . 30 SER HB2 . 25689 1 335 . 1 1 30 30 SER HB3 H 1 3.912 0.020 . 1 . . . . 30 SER HB3 . 25689 1 336 . 1 1 30 30 SER C C 13 177.240 0.3 . 1 . . . . 30 SER C . 25689 1 337 . 1 1 30 30 SER CA C 13 60.736 0.3 . 1 . . . . 30 SER CA . 25689 1 338 . 1 1 30 30 SER CB C 13 62.126 0.3 . 1 . . . . 30 SER CB . 25689 1 339 . 1 1 30 30 SER N N 15 118.778 0.3 . 1 . . . . 30 SER N . 25689 1 340 . 1 1 31 31 GLU H H 1 8.486 0.020 . 1 . . . . 31 GLU H . 25689 1 341 . 1 1 31 31 GLU HA H 1 4.275 0.020 . 1 . . . . 31 GLU HA . 25689 1 342 . 1 1 31 31 GLU HB2 H 1 1.886 0.020 . 1 . . . . 31 GLU HB2 . 25689 1 343 . 1 1 31 31 GLU HB3 H 1 1.886 0.020 . 1 . . . . 31 GLU HB3 . 25689 1 344 . 1 1 31 31 GLU HG2 H 1 2.102 0.020 . 1 . . . . 31 GLU HG2 . 25689 1 345 . 1 1 31 31 GLU HG3 H 1 2.102 0.020 . 1 . . . . 31 GLU HG3 . 25689 1 346 . 1 1 31 31 GLU C C 13 179.029 0.3 . 1 . . . . 31 GLU C . 25689 1 347 . 1 1 31 31 GLU CA C 13 57.771 0.3 . 1 . . . . 31 GLU CA . 25689 1 348 . 1 1 31 31 GLU CB C 13 30.112 0.3 . 1 . . . . 31 GLU CB . 25689 1 349 . 1 1 31 31 GLU CG C 13 35.762 0.3 . 1 . . . . 31 GLU CG . 25689 1 350 . 1 1 31 31 GLU N N 15 125.069 0.3 . 1 . . . . 31 GLU N . 25689 1 351 . 1 1 32 32 VAL H H 1 8.664 0.020 . 1 . . . . 32 VAL H . 25689 1 352 . 1 1 32 32 VAL HA H 1 3.452 0.020 . 1 . . . . 32 VAL HA . 25689 1 353 . 1 1 32 32 VAL HB H 1 2.090 0.020 . 1 . . . . 32 VAL HB . 25689 1 354 . 1 1 32 32 VAL HG11 H 1 0.962 0.020 . 2 . . . . 32 VAL HG1 . 25689 1 355 . 1 1 32 32 VAL HG12 H 1 0.962 0.020 . 2 . . . . 32 VAL HG1 . 25689 1 356 . 1 1 32 32 VAL HG13 H 1 0.962 0.020 . 2 . . . . 32 VAL HG1 . 25689 1 357 . 1 1 32 32 VAL HG21 H 1 0.738 0.020 . 2 . . . . 32 VAL HG2 . 25689 1 358 . 1 1 32 32 VAL HG22 H 1 0.738 0.020 . 2 . . . . 32 VAL HG2 . 25689 1 359 . 1 1 32 32 VAL HG23 H 1 0.738 0.020 . 2 . . . . 32 VAL HG2 . 25689 1 360 . 1 1 32 32 VAL C C 13 179.056 0.3 . 1 . . . . 32 VAL C . 25689 1 361 . 1 1 32 32 VAL CA C 13 66.363 0.3 . 1 . . . . 32 VAL CA . 25689 1 362 . 1 1 32 32 VAL CB C 13 30.685 0.3 . 1 . . . . 32 VAL CB . 25689 1 363 . 1 1 32 32 VAL CG1 C 13 24.391 0.3 . 1 . . . . 32 VAL CG1 . 25689 1 364 . 1 1 32 32 VAL CG2 C 13 20.444 0.3 . 1 . . . . 32 VAL CG2 . 25689 1 365 . 1 1 32 32 VAL N N 15 121.762 0.3 . 1 . . . . 32 VAL N . 25689 1 366 . 1 1 33 33 GLY H H 1 7.694 0.020 . 1 . . . . 33 GLY H . 25689 1 367 . 1 1 33 33 GLY HA2 H 1 3.776 0.020 . 2 . . . . 33 GLY HA2 . 25689 1 368 . 1 1 33 33 GLY HA3 H 1 3.732 0.020 . 2 . . . . 33 GLY HA3 . 25689 1 369 . 1 1 33 33 GLY C C 13 176.319 0.3 . 1 . . . . 33 GLY C . 25689 1 370 . 1 1 33 33 GLY CA C 13 46.431 0.3 . 1 . . . . 33 GLY CA . 25689 1 371 . 1 1 33 33 GLY N N 15 106.787 0.3 . 1 . . . . 33 GLY N . 25689 1 372 . 1 1 34 34 ARG H H 1 8.088 0.020 . 1 . . . . 34 ARG H . 25689 1 373 . 1 1 34 34 ARG HA H 1 3.843 0.020 . 1 . . . . 34 ARG HA . 25689 1 374 . 1 1 34 34 ARG HB2 H 1 1.855 0.020 . 1 . . . . 34 ARG HB2 . 25689 1 375 . 1 1 34 34 ARG HB3 H 1 1.855 0.020 . 1 . . . . 34 ARG HB3 . 25689 1 376 . 1 1 34 34 ARG HG2 H 1 1.706 0.020 . 1 . . . . 34 ARG HG2 . 25689 1 377 . 1 1 34 34 ARG HG3 H 1 1.706 0.020 . 1 . . . . 34 ARG HG3 . 25689 1 378 . 1 1 34 34 ARG HD2 H 1 3.104 0.020 . 1 . . . . 34 ARG HD2 . 25689 1 379 . 1 1 34 34 ARG HD3 H 1 3.104 0.020 . 1 . . . . 34 ARG HD3 . 25689 1 380 . 1 1 34 34 ARG HE H 1 7.798 0.020 . 1 . . . . 34 ARG HE . 25689 1 381 . 1 1 34 34 ARG HH11 H 1 6.981 0.020 . 1 . . . . 34 ARG HH11 . 25689 1 382 . 1 1 34 34 ARG HH12 H 1 6.981 0.020 . 1 . . . . 34 ARG HH12 . 25689 1 383 . 1 1 34 34 ARG HH21 H 1 6.981 0.020 . 1 . . . . 34 ARG HH21 . 25689 1 384 . 1 1 34 34 ARG HH22 H 1 6.981 0.020 . 1 . . . . 34 ARG HH22 . 25689 1 385 . 1 1 34 34 ARG C C 13 179.543 0.3 . 1 . . . . 34 ARG C . 25689 1 386 . 1 1 34 34 ARG CA C 13 59.325 0.3 . 1 . . . . 34 ARG CA . 25689 1 387 . 1 1 34 34 ARG CB C 13 30.439 0.3 . 1 . . . . 34 ARG CB . 25689 1 388 . 1 1 34 34 ARG CG C 13 27.399 0.3 . 1 . . . . 34 ARG CG . 25689 1 389 . 1 1 34 34 ARG CD C 13 42.623 0.3 . 1 . . . . 34 ARG CD . 25689 1 390 . 1 1 34 34 ARG N N 15 125.134 0.3 . 1 . . . . 34 ARG N . 25689 1 391 . 1 1 35 35 TYR H H 1 8.476 0.020 . 1 . . . . 35 TYR H . 25689 1 392 . 1 1 35 35 TYR HA H 1 3.545 0.020 . 1 . . . . 35 TYR HA . 25689 1 393 . 1 1 35 35 TYR HB2 H 1 2.601 0.020 . 2 . . . . 35 TYR HB2 . 25689 1 394 . 1 1 35 35 TYR HB3 H 1 2.131 0.020 . 2 . . . . 35 TYR HB3 . 25689 1 395 . 1 1 35 35 TYR HD1 H 1 7.010 0.020 . 1 . . . . 35 TYR HD1 . 25689 1 396 . 1 1 35 35 TYR HD2 H 1 7.010 0.020 . 1 . . . . 35 TYR HD2 . 25689 1 397 . 1 1 35 35 TYR HE1 H 1 6.520 0.020 . 1 . . . . 35 TYR HE1 . 25689 1 398 . 1 1 35 35 TYR HE2 H 1 6.520 0.020 . 1 . . . . 35 TYR HE2 . 25689 1 399 . 1 1 35 35 TYR C C 13 177.294 0.3 . 1 . . . . 35 TYR C . 25689 1 400 . 1 1 35 35 TYR CA C 13 62.616 0.3 . 1 . . . . 35 TYR CA . 25689 1 401 . 1 1 35 35 TYR CB C 13 37.930 0.3 . 1 . . . . 35 TYR CB . 25689 1 402 . 1 1 35 35 TYR CE1 C 13 116.765 0.3 . 1 . . . . 35 TYR CE1 . 25689 1 403 . 1 1 35 35 TYR CE2 C 13 117.363 0.3 . 1 . . . . 35 TYR CE2 . 25689 1 404 . 1 1 35 35 TYR N N 15 119.089 0.3 . 1 . . . . 35 TYR N . 25689 1 405 . 1 1 36 36 GLY H H 1 8.598 0.020 . 1 . . . . 36 GLY H . 25689 1 406 . 1 1 36 36 GLY HA2 H 1 3.770 0.020 . 2 . . . . 36 GLY HA2 . 25689 1 407 . 1 1 36 36 GLY HA3 H 1 3.293 0.020 . 2 . . . . 36 GLY HA3 . 25689 1 408 . 1 1 36 36 GLY C C 13 176.644 0.3 . 1 . . . . 36 GLY C . 25689 1 409 . 1 1 36 36 GLY CA C 13 47.085 0.3 . 1 . . . . 36 GLY CA . 25689 1 410 . 1 1 36 36 GLY N N 15 107.193 0.3 . 1 . . . . 36 GLY N . 25689 1 411 . 1 1 37 37 ALA H H 1 7.617 0.020 . 1 . . . . 37 ALA H . 25689 1 412 . 1 1 37 37 ALA HA H 1 4.118 0.020 . 1 . . . . 37 ALA HA . 25689 1 413 . 1 1 37 37 ALA HB1 H 1 1.386 0.020 . 1 . . . . 37 ALA HB . 25689 1 414 . 1 1 37 37 ALA HB2 H 1 1.386 0.020 . 1 . . . . 37 ALA HB . 25689 1 415 . 1 1 37 37 ALA HB3 H 1 1.386 0.020 . 1 . . . . 37 ALA HB . 25689 1 416 . 1 1 37 37 ALA C C 13 180.654 0.3 . 1 . . . . 37 ALA C . 25689 1 417 . 1 1 37 37 ALA CA C 13 54.661 0.3 . 1 . . . . 37 ALA CA . 25689 1 418 . 1 1 37 37 ALA CB C 13 17.019 0.3 . 1 . . . . 37 ALA CB . 25689 1 419 . 1 1 37 37 ALA N N 15 125.060 0.3 . 1 . . . . 37 ALA N . 25689 1 420 . 1 1 38 38 ILE H H 1 7.559 0.020 . 1 . . . . 38 ILE H . 25689 1 421 . 1 1 38 38 ILE HA H 1 3.590 0.020 . 1 . . . . 38 ILE HA . 25689 1 422 . 1 1 38 38 ILE HB H 1 1.850 0.020 . 1 . . . . 38 ILE HB . 25689 1 423 . 1 1 38 38 ILE HG12 H 1 1.526 0.020 . 2 . . . . 38 ILE HG12 . 25689 1 424 . 1 1 38 38 ILE HG13 H 1 0.916 0.020 . 2 . . . . 38 ILE HG13 . 25689 1 425 . 1 1 38 38 ILE HG21 H 1 0.778 0.020 . 1 . . . . 38 ILE HG2 . 25689 1 426 . 1 1 38 38 ILE HG22 H 1 0.778 0.020 . 1 . . . . 38 ILE HG2 . 25689 1 427 . 1 1 38 38 ILE HG23 H 1 0.778 0.020 . 1 . . . . 38 ILE HG2 . 25689 1 428 . 1 1 38 38 ILE HD11 H 1 0.216 0.020 . 1 . . . . 38 ILE HD1 . 25689 1 429 . 1 1 38 38 ILE HD12 H 1 0.216 0.020 . 1 . . . . 38 ILE HD1 . 25689 1 430 . 1 1 38 38 ILE HD13 H 1 0.216 0.020 . 1 . . . . 38 ILE HD1 . 25689 1 431 . 1 1 38 38 ILE C C 13 178.866 0.3 . 1 . . . . 38 ILE C . 25689 1 432 . 1 1 38 38 ILE CA C 13 64.972 0.3 . 1 . . . . 38 ILE CA . 25689 1 433 . 1 1 38 38 ILE CB C 13 37.149 0.3 . 1 . . . . 38 ILE CB . 25689 1 434 . 1 1 38 38 ILE CG1 C 13 28.150 0.3 . 1 . . . . 38 ILE CG1 . 25689 1 435 . 1 1 38 38 ILE CG2 C 13 16.177 0.3 . 1 . . . . 38 ILE CG2 . 25689 1 436 . 1 1 38 38 ILE CD1 C 13 11.868 0.3 . 1 . . . . 38 ILE CD1 . 25689 1 437 . 1 1 38 38 ILE N N 15 122.873 0.3 . 1 . . . . 38 ILE N . 25689 1 438 . 1 1 39 39 TYR H H 1 9.151 0.020 . 1 . . . . 39 TYR H . 25689 1 439 . 1 1 39 39 TYR HA H 1 4.463 0.020 . 1 . . . . 39 TYR HA . 25689 1 440 . 1 1 39 39 TYR HB2 H 1 3.383 0.020 . 2 . . . . 39 TYR HB2 . 25689 1 441 . 1 1 39 39 TYR HB3 H 1 3.005 0.020 . 2 . . . . 39 TYR HB3 . 25689 1 442 . 1 1 39 39 TYR HD1 H 1 6.995 0.020 . 1 . . . . 39 TYR HD1 . 25689 1 443 . 1 1 39 39 TYR HD2 H 1 6.995 0.020 . 1 . . . . 39 TYR HD2 . 25689 1 444 . 1 1 39 39 TYR HE1 H 1 6.796 0.020 . 1 . . . . 39 TYR HE1 . 25689 1 445 . 1 1 39 39 TYR HE2 H 1 6.796 0.020 . 1 . . . . 39 TYR HE2 . 25689 1 446 . 1 1 39 39 TYR C C 13 178.405 0.3 . 1 . . . . 39 TYR C . 25689 1 447 . 1 1 39 39 TYR CA C 13 57.525 0.3 . 1 . . . . 39 TYR CA . 25689 1 448 . 1 1 39 39 TYR CB C 13 35.758 0.3 . 1 . . . . 39 TYR CB . 25689 1 449 . 1 1 39 39 TYR CE1 C 13 119.750 0.3 . 1 . . . . 39 TYR CE1 . 25689 1 450 . 1 1 39 39 TYR CE2 C 13 119.750 0.3 . 1 . . . . 39 TYR CE2 . 25689 1 451 . 1 1 39 39 TYR N N 15 120.413 0.3 . 1 . . . . 39 TYR N . 25689 1 452 . 1 1 40 40 THR H H 1 8.389 0.020 . 1 . . . . 40 THR H . 25689 1 453 . 1 1 40 40 THR HA H 1 3.687 0.020 . 1 . . . . 40 THR HA . 25689 1 454 . 1 1 40 40 THR HB H 1 4.333 0.020 . 1 . . . . 40 THR HB . 25689 1 455 . 1 1 40 40 THR HG21 H 1 1.251 0.020 . 1 . . . . 40 THR HG2 . 25689 1 456 . 1 1 40 40 THR HG22 H 1 1.251 0.020 . 1 . . . . 40 THR HG2 . 25689 1 457 . 1 1 40 40 THR HG23 H 1 1.251 0.020 . 1 . . . . 40 THR HG2 . 25689 1 458 . 1 1 40 40 THR C C 13 175.912 0.3 . 1 . . . . 40 THR C . 25689 1 459 . 1 1 40 40 THR CA C 13 67.030 0.3 . 1 . . . . 40 THR CA . 25689 1 460 . 1 1 40 40 THR CB C 13 68.256 0.3 . 1 . . . . 40 THR CB . 25689 1 461 . 1 1 40 40 THR N N 15 114.445 0.3 . 1 . . . . 40 THR N . 25689 1 462 . 1 1 41 41 GLN H H 1 7.947 0.020 . 1 . . . . 41 GLN H . 25689 1 463 . 1 1 41 41 GLN HA H 1 3.940 0.020 . 1 . . . . 41 GLN HA . 25689 1 464 . 1 1 41 41 GLN HB2 H 1 2.177 0.020 . 1 . . . . 41 GLN HB2 . 25689 1 465 . 1 1 41 41 GLN HB3 H 1 2.177 0.020 . 1 . . . . 41 GLN HB3 . 25689 1 466 . 1 1 41 41 GLN HG2 H 1 2.300 0.020 . 1 . . . . 41 GLN HG2 . 25689 1 467 . 1 1 41 41 GLN HG3 H 1 2.300 0.020 . 1 . . . . 41 GLN HG3 . 25689 1 468 . 1 1 41 41 GLN HE21 H 1 7.350 0.020 . 1 . . . . 41 GLN HE21 . 25689 1 469 . 1 1 41 41 GLN HE22 H 1 6.753 0.020 . 1 . . . . 41 GLN HE22 . 25689 1 470 . 1 1 41 41 GLN C C 13 178.026 0.3 . 1 . . . . 41 GLN C . 25689 1 471 . 1 1 41 41 GLN CA C 13 58.650 0.3 . 1 . . . . 41 GLN CA . 25689 1 472 . 1 1 41 41 GLN CB C 13 27.095 0.3 . 1 . . . . 41 GLN CB . 25689 1 473 . 1 1 41 41 GLN CG C 13 32.932 0.3 . 1 . . . . 41 GLN CG . 25689 1 474 . 1 1 41 41 GLN N N 15 122.996 0.3 . 1 . . . . 41 GLN N . 25689 1 475 . 1 1 41 41 GLN NE2 N 15 112.432 0.3 . 1 . . . . 41 GLN NE2 . 25689 1 476 . 1 1 42 42 LEU H H 1 8.345 0.020 . 1 . . . . 42 LEU H . 25689 1 477 . 1 1 42 42 LEU HA H 1 3.935 0.020 . 1 . . . . 42 LEU HA . 25689 1 478 . 1 1 42 42 LEU HB2 H 1 1.485 0.020 . 2 . . . . 42 LEU HB2 . 25689 1 479 . 1 1 42 42 LEU HB3 H 1 1.408 0.020 . 2 . . . . 42 LEU HB3 . 25689 1 480 . 1 1 42 42 LEU HG H 1 1.525 0.020 . 1 . . . . 42 LEU HG . 25689 1 481 . 1 1 42 42 LEU HD11 H 1 1.103 0.020 . 1 . . . . 42 LEU HD1 . 25689 1 482 . 1 1 42 42 LEU HD12 H 1 1.103 0.020 . 1 . . . . 42 LEU HD1 . 25689 1 483 . 1 1 42 42 LEU HD13 H 1 1.103 0.020 . 1 . . . . 42 LEU HD1 . 25689 1 484 . 1 1 42 42 LEU HD21 H 1 1.103 0.020 . 1 . . . . 42 LEU HD2 . 25689 1 485 . 1 1 42 42 LEU HD22 H 1 1.103 0.020 . 1 . . . . 42 LEU HD2 . 25689 1 486 . 1 1 42 42 LEU HD23 H 1 1.103 0.020 . 1 . . . . 42 LEU HD2 . 25689 1 487 . 1 1 42 42 LEU C C 13 179.272 0.3 . 1 . . . . 42 LEU C . 25689 1 488 . 1 1 42 42 LEU CA C 13 57.385 0.3 . 1 . . . . 42 LEU CA . 25689 1 489 . 1 1 42 42 LEU CB C 13 41.200 0.3 . 1 . . . . 42 LEU CB . 25689 1 490 . 1 1 42 42 LEU CG C 13 29.120 0.3 . 1 . . . . 42 LEU CG . 25689 1 491 . 1 1 42 42 LEU CD1 C 13 24.634 0.3 . 1 . . . . 42 LEU CD1 . 25689 1 492 . 1 1 42 42 LEU N N 15 120.684 0.3 . 1 . . . . 42 LEU N . 25689 1 493 . 1 1 43 43 ILE H H 1 7.865 0.020 . 1 . . . . 43 ILE H . 25689 1 494 . 1 1 43 43 ILE HA H 1 3.201 0.020 . 1 . . . . 43 ILE HA . 25689 1 495 . 1 1 43 43 ILE HB H 1 1.827 0.020 . 1 . . . . 43 ILE HB . 25689 1 496 . 1 1 43 43 ILE HG12 H 1 1.248 0.020 . 1 . . . . 43 ILE HG12 . 25689 1 497 . 1 1 43 43 ILE HG13 H 1 1.248 0.020 . 1 . . . . 43 ILE HG13 . 25689 1 498 . 1 1 43 43 ILE HG21 H 1 0.714 0.020 . 1 . . . . 43 ILE HG2 . 25689 1 499 . 1 1 43 43 ILE HG22 H 1 0.714 0.020 . 1 . . . . 43 ILE HG2 . 25689 1 500 . 1 1 43 43 ILE HG23 H 1 0.714 0.020 . 1 . . . . 43 ILE HG2 . 25689 1 501 . 1 1 43 43 ILE HD11 H 1 0.645 0.020 . 1 . . . . 43 ILE HD1 . 25689 1 502 . 1 1 43 43 ILE HD12 H 1 0.645 0.020 . 1 . . . . 43 ILE HD1 . 25689 1 503 . 1 1 43 43 ILE HD13 H 1 0.645 0.020 . 1 . . . . 43 ILE HD1 . 25689 1 504 . 1 1 43 43 ILE C C 13 178.080 0.3 . 1 . . . . 43 ILE C . 25689 1 505 . 1 1 43 43 ILE CA C 13 65.372 0.3 . 1 . . . . 43 ILE CA . 25689 1 506 . 1 1 43 43 ILE CB C 13 37.873 0.3 . 1 . . . . 43 ILE CB . 25689 1 507 . 1 1 43 43 ILE CG1 C 13 28.808 0.3 . 1 . . . . 43 ILE CG1 . 25689 1 508 . 1 1 43 43 ILE CD1 C 13 17.531 0.3 . 1 . . . . 43 ILE CD1 . 25689 1 509 . 1 1 43 43 ILE N N 15 118.092 0.3 . 1 . . . . 43 ILE N . 25689 1 510 . 1 1 44 44 ARG H H 1 8.629 0.020 . 1 . . . . 44 ARG H . 25689 1 511 . 1 1 44 44 ARG HA H 1 3.677 0.020 . 1 . . . . 44 ARG HA . 25689 1 512 . 1 1 44 44 ARG HB2 H 1 1.709 0.020 . 2 . . . . 44 ARG HB2 . 25689 1 513 . 1 1 44 44 ARG HB3 H 1 1.469 0.020 . 2 . . . . 44 ARG HB3 . 25689 1 514 . 1 1 44 44 ARG HG2 H 1 1.880 0.020 . 1 . . . . 44 ARG HG2 . 25689 1 515 . 1 1 44 44 ARG HG3 H 1 1.880 0.020 . 1 . . . . 44 ARG HG3 . 25689 1 516 . 1 1 44 44 ARG HD2 H 1 3.163 0.020 . 1 . . . . 44 ARG HD2 . 25689 1 517 . 1 1 44 44 ARG HD3 H 1 3.163 0.020 . 1 . . . . 44 ARG HD3 . 25689 1 518 . 1 1 44 44 ARG C C 13 179.110 0.3 . 1 . . . . 44 ARG C . 25689 1 519 . 1 1 44 44 ARG CA C 13 59.183 0.3 . 1 . . . . 44 ARG CA . 25689 1 520 . 1 1 44 44 ARG CB C 13 29.511 0.3 . 1 . . . . 44 ARG CB . 25689 1 521 . 1 1 44 44 ARG CG C 13 27.587 0.3 . 1 . . . . 44 ARG CG . 25689 1 522 . 1 1 44 44 ARG CD C 13 42.811 0.3 . 1 . . . . 44 ARG CD . 25689 1 523 . 1 1 44 44 ARG N N 15 119.135 0.3 . 1 . . . . 44 ARG N . 25689 1 524 . 1 1 45 45 GLN H H 1 8.162 0.020 . 1 . . . . 45 GLN H . 25689 1 525 . 1 1 45 45 GLN HA H 1 4.012 0.020 . 1 . . . . 45 GLN HA . 25689 1 526 . 1 1 45 45 GLN HB2 H 1 1.969 0.020 . 2 . . . . 45 GLN HB2 . 25689 1 527 . 1 1 45 45 GLN HB3 H 1 1.736 0.020 . 2 . . . . 45 GLN HB3 . 25689 1 528 . 1 1 45 45 GLN HG2 H 1 2.421 0.020 . 1 . . . . 45 GLN HG2 . 25689 1 529 . 1 1 45 45 GLN HG3 H 1 2.421 0.020 . 1 . . . . 45 GLN HG3 . 25689 1 530 . 1 1 45 45 GLN C C 13 176.264 0.3 . 1 . . . . 45 GLN C . 25689 1 531 . 1 1 45 45 GLN CA C 13 57.385 0.3 . 1 . . . . 45 GLN CA . 25689 1 532 . 1 1 45 45 GLN CB C 13 27.549 0.3 . 1 . . . . 45 GLN CB . 25689 1 533 . 1 1 45 45 GLN CG C 13 33.176 0.3 . 1 . . . . 45 GLN CG . 25689 1 534 . 1 1 45 45 GLN N N 15 117.363 0.3 . 1 . . . . 45 GLN N . 25689 1 535 . 1 1 46 46 ASN H H 1 7.344 0.020 . 1 . . . . 46 ASN H . 25689 1 536 . 1 1 46 46 ASN HA H 1 4.712 0.020 . 1 . . . . 46 ASN HA . 25689 1 537 . 1 1 46 46 ASN HB2 H 1 2.870 0.020 . 2 . . . . 46 ASN HB2 . 25689 1 538 . 1 1 46 46 ASN HB3 H 1 2.435 0.020 . 2 . . . . 46 ASN HB3 . 25689 1 539 . 1 1 46 46 ASN HD21 H 1 7.397 0.020 . 1 . . . . 46 ASN HD21 . 25689 1 540 . 1 1 46 46 ASN HD22 H 1 6.751 0.020 . 1 . . . . 46 ASN HD22 . 25689 1 541 . 1 1 46 46 ASN C C 13 173.284 0.3 . 1 . . . . 46 ASN C . 25689 1 542 . 1 1 46 46 ASN CA C 13 52.644 0.3 . 1 . . . . 46 ASN CA . 25689 1 543 . 1 1 46 46 ASN CB C 13 40.546 0.3 . 1 . . . . 46 ASN CB . 25689 1 544 . 1 1 46 46 ASN N N 15 115.368 0.3 . 1 . . . . 46 ASN N . 25689 1 545 . 1 1 46 46 ASN ND2 N 15 111.427 0.3 . 1 . . . . 46 ASN ND2 . 25689 1 546 . 1 1 47 47 LEU H H 1 7.316 0.020 . 1 . . . . 47 LEU H . 25689 1 547 . 1 1 47 47 LEU HA H 1 4.052 0.020 . 1 . . . . 47 LEU HA . 25689 1 548 . 1 1 47 47 LEU HB2 H 1 1.669 0.020 . 2 . . . . 47 LEU HB2 . 25689 1 549 . 1 1 47 47 LEU HB3 H 1 1.623 0.020 . 2 . . . . 47 LEU HB3 . 25689 1 550 . 1 1 47 47 LEU HG H 1 1.430 0.020 . 1 . . . . 47 LEU HG . 25689 1 551 . 1 1 47 47 LEU HD11 H 1 0.582 0.020 . 2 . . . . 47 LEU HD1 . 25689 1 552 . 1 1 47 47 LEU HD12 H 1 0.582 0.020 . 2 . . . . 47 LEU HD1 . 25689 1 553 . 1 1 47 47 LEU HD13 H 1 0.582 0.020 . 2 . . . . 47 LEU HD1 . 25689 1 554 . 1 1 47 47 LEU HD21 H 1 0.536 0.020 . 2 . . . . 47 LEU HD2 . 25689 1 555 . 1 1 47 47 LEU HD22 H 1 0.536 0.020 . 2 . . . . 47 LEU HD2 . 25689 1 556 . 1 1 47 47 LEU HD23 H 1 0.536 0.020 . 2 . . . . 47 LEU HD2 . 25689 1 557 . 1 1 47 47 LEU C C 13 175.533 0.3 . 1 . . . . 47 LEU C . 25689 1 558 . 1 1 47 47 LEU CA C 13 54.743 0.3 . 1 . . . . 47 LEU CA . 25689 1 559 . 1 1 47 47 LEU CB C 13 43.778 0.3 . 1 . . . . 47 LEU CB . 25689 1 560 . 1 1 47 47 LEU CG C 13 26.967 0.3 . 1 . . . . 47 LEU CG . 25689 1 561 . 1 1 47 47 LEU CD1 C 13 26.177 0.3 . 1 . . . . 47 LEU CD1 . 25689 1 562 . 1 1 47 47 LEU CD2 C 13 24.673 0.3 . 1 . . . . 47 LEU CD2 . 25689 1 563 . 1 1 47 47 LEU N N 15 123.074 0.3 . 1 . . . . 47 LEU N . 25689 1 564 . 1 1 48 48 LEU H H 1 8.123 0.020 . 1 . . . . 48 LEU H . 25689 1 565 . 1 1 48 48 LEU HA H 1 4.423 0.020 . 1 . . . . 48 LEU HA . 25689 1 566 . 1 1 48 48 LEU HB2 H 1 1.548 0.020 . 2 . . . . 48 LEU HB2 . 25689 1 567 . 1 1 48 48 LEU HB3 H 1 1.466 0.020 . 2 . . . . 48 LEU HB3 . 25689 1 568 . 1 1 48 48 LEU HG H 1 1.430 0.020 . 1 . . . . 48 LEU HG . 25689 1 569 . 1 1 48 48 LEU HD11 H 1 0.784 0.020 . 2 . . . . 48 LEU HD1 . 25689 1 570 . 1 1 48 48 LEU HD12 H 1 0.784 0.020 . 2 . . . . 48 LEU HD1 . 25689 1 571 . 1 1 48 48 LEU HD13 H 1 0.784 0.020 . 2 . . . . 48 LEU HD1 . 25689 1 572 . 1 1 48 48 LEU HD21 H 1 0.741 0.020 . 2 . . . . 48 LEU HD2 . 25689 1 573 . 1 1 48 48 LEU HD22 H 1 0.741 0.020 . 2 . . . . 48 LEU HD2 . 25689 1 574 . 1 1 48 48 LEU HD23 H 1 0.741 0.020 . 2 . . . . 48 LEU HD2 . 25689 1 575 . 1 1 48 48 LEU C C 13 175.750 0.3 . 1 . . . . 48 LEU C . 25689 1 576 . 1 1 48 48 LEU CA C 13 54.006 0.3 . 1 . . . . 48 LEU CA . 25689 1 577 . 1 1 48 48 LEU CB C 13 39.932 0.3 . 1 . . . . 48 LEU CB . 25689 1 578 . 1 1 48 48 LEU CG C 13 26.362 0.3 . 1 . . . . 48 LEU CG . 25689 1 579 . 1 1 48 48 LEU CD1 C 13 23.604 0.3 . 1 . . . . 48 LEU CD1 . 25689 1 580 . 1 1 48 48 LEU N N 15 128.887 0.3 . 1 . . . . 48 LEU N . 25689 1 581 . 1 1 49 49 VAL H H 1 8.311 0.020 . 1 . . . . 49 VAL H . 25689 1 582 . 1 1 49 49 VAL HA H 1 3.712 0.020 . 1 . . . . 49 VAL HA . 25689 1 583 . 1 1 49 49 VAL HB H 1 1.904 0.020 . 1 . . . . 49 VAL HB . 25689 1 584 . 1 1 49 49 VAL HG11 H 1 0.874 0.020 . 2 . . . . 49 VAL HG1 . 25689 1 585 . 1 1 49 49 VAL HG12 H 1 0.874 0.020 . 2 . . . . 49 VAL HG1 . 25689 1 586 . 1 1 49 49 VAL HG13 H 1 0.874 0.020 . 2 . . . . 49 VAL HG1 . 25689 1 587 . 1 1 49 49 VAL HG21 H 1 0.729 0.020 . 2 . . . . 49 VAL HG2 . 25689 1 588 . 1 1 49 49 VAL HG22 H 1 0.729 0.020 . 2 . . . . 49 VAL HG2 . 25689 1 589 . 1 1 49 49 VAL HG23 H 1 0.729 0.020 . 2 . . . . 49 VAL HG2 . 25689 1 590 . 1 1 49 49 VAL C C 13 174.910 0.3 . 1 . . . . 49 VAL C . 25689 1 591 . 1 1 49 49 VAL CA C 13 63.090 0.3 . 1 . . . . 49 VAL CA . 25689 1 592 . 1 1 49 49 VAL CB C 13 31.667 0.3 . 1 . . . . 49 VAL CB . 25689 1 593 . 1 1 49 49 VAL CG1 C 13 21.384 0.3 . 1 . . . . 49 VAL CG1 . 25689 1 594 . 1 1 49 49 VAL N N 15 124.612 0.3 . 1 . . . . 49 VAL N . 25689 1 595 . 1 1 50 50 GLU H H 1 5.776 0.020 . 1 . . . . 50 GLU H . 25689 1 596 . 1 1 50 50 GLU HA H 1 4.204 0.020 . 1 . . . . 50 GLU HA . 25689 1 597 . 1 1 50 50 GLU HB2 H 1 1.581 0.020 . 1 . . . . 50 GLU HB2 . 25689 1 598 . 1 1 50 50 GLU HB3 H 1 1.581 0.020 . 1 . . . . 50 GLU HB3 . 25689 1 599 . 1 1 50 50 GLU HG2 H 1 1.489 0.020 . 1 . . . . 50 GLU HG2 . 25689 1 600 . 1 1 50 50 GLU HG3 H 1 1.489 0.020 . 1 . . . . 50 GLU HG3 . 25689 1 601 . 1 1 50 50 GLU C C 13 176.940 0.3 . 1 . . . . 50 GLU C . 25689 1 602 . 1 1 50 50 GLU CA C 13 53.530 0.3 . 1 . . . . 50 GLU CA . 25689 1 603 . 1 1 50 50 GLU CB C 13 30.736 0.3 . 1 . . . . 50 GLU CB . 25689 1 604 . 1 1 50 50 GLU CG C 13 35.238 0.3 . 1 . . . . 50 GLU CG . 25689 1 605 . 1 1 50 50 GLU N N 15 124.790 0.3 . 1 . . . . 50 GLU N . 25689 1 606 . 1 1 52 52 SER C C 13 175.313 0.3 . 1 . . . . 52 SER C . 25689 1 607 . 1 1 52 52 SER CA C 13 59.814 0.3 . 1 . . . . 52 SER CA . 25689 1 608 . 1 1 52 52 SER CB C 13 62.092 0.3 . 1 . . . . 52 SER CB . 25689 1 609 . 1 1 53 53 PHE H H 1 7.654 0.020 . 1 . . . . 53 PHE H . 25689 1 610 . 1 1 53 53 PHE HA H 1 4.523 0.020 . 1 . . . . 53 PHE HA . 25689 1 611 . 1 1 53 53 PHE HB2 H 1 3.215 0.020 . 2 . . . . 53 PHE HB2 . 25689 1 612 . 1 1 53 53 PHE HB3 H 1 3.173 0.020 . 2 . . . . 53 PHE HB3 . 25689 1 613 . 1 1 53 53 PHE HD1 H 1 6.963 0.020 . 1 . . . . 53 PHE HD1 . 25689 1 614 . 1 1 53 53 PHE HD2 H 1 6.963 0.020 . 1 . . . . 53 PHE HD2 . 25689 1 615 . 1 1 53 53 PHE HE1 H 1 7.249 0.020 . 1 . . . . 53 PHE HE1 . 25689 1 616 . 1 1 53 53 PHE HE2 H 1 7.249 0.020 . 1 . . . . 53 PHE HE2 . 25689 1 617 . 1 1 53 53 PHE HZ H 1 7.126 0.020 . 1 . . . . 53 PHE HZ . 25689 1 618 . 1 1 53 53 PHE C C 13 175.858 0.3 . 1 . . . . 53 PHE C . 25689 1 619 . 1 1 53 53 PHE CA C 13 54.088 0.3 . 1 . . . . 53 PHE CA . 25689 1 620 . 1 1 53 53 PHE CB C 13 37.313 0.3 . 1 . . . . 53 PHE CB . 25689 1 621 . 1 1 53 53 PHE CD1 C 13 129.611 0.3 . 1 . . . . 53 PHE CD1 . 25689 1 622 . 1 1 53 53 PHE CD2 C 13 129.611 0.3 . 1 . . . . 53 PHE CD2 . 25689 1 623 . 1 1 53 53 PHE CE1 C 13 131.326 0.3 . 1 . . . . 53 PHE CE1 . 25689 1 624 . 1 1 53 53 PHE CE2 C 13 131.326 0.3 . 1 . . . . 53 PHE CE2 . 25689 1 625 . 1 1 53 53 PHE CZ C 13 131.407 0.3 . 1 . . . . 53 PHE CZ . 25689 1 626 . 1 1 53 53 PHE N N 15 118.556 0.3 . 1 . . . . 53 PHE N . 25689 1 627 . 1 1 54 54 ARG H H 1 7.301 0.020 . 1 . . . . 54 ARG H . 25689 1 628 . 1 1 54 54 ARG HA H 1 3.772 0.020 . 1 . . . . 54 ARG HA . 25689 1 629 . 1 1 54 54 ARG HB2 H 1 1.693 0.020 . 2 . . . . 54 ARG HB2 . 25689 1 630 . 1 1 54 54 ARG HB3 H 1 1.665 0.020 . 2 . . . . 54 ARG HB3 . 25689 1 631 . 1 1 54 54 ARG HG2 H 1 1.537 0.020 . 2 . . . . 54 ARG HG2 . 25689 1 632 . 1 1 54 54 ARG HG3 H 1 1.338 0.020 . 2 . . . . 54 ARG HG3 . 25689 1 633 . 1 1 54 54 ARG HD2 H 1 2.989 0.020 . 1 . . . . 54 ARG HD2 . 25689 1 634 . 1 1 54 54 ARG HD3 H 1 2.989 0.020 . 1 . . . . 54 ARG HD3 . 25689 1 635 . 1 1 54 54 ARG HE H 1 7.977 0.020 . 1 . . . . 54 ARG HE . 25689 1 636 . 1 1 54 54 ARG C C 13 177.321 0.3 . 1 . . . . 54 ARG C . 25689 1 637 . 1 1 54 54 ARG CA C 13 58.098 0.3 . 1 . . . . 54 ARG CA . 25689 1 638 . 1 1 54 54 ARG CB C 13 28.639 0.3 . 1 . . . . 54 ARG CB . 25689 1 639 . 1 1 54 54 ARG CG C 13 27.023 0.3 . 1 . . . . 54 ARG CG . 25689 1 640 . 1 1 54 54 ARG CD C 13 42.623 0.3 . 1 . . . . 54 ARG CD . 25689 1 641 . 1 1 54 54 ARG N N 15 119.265 0.3 . 1 . . . . 54 ARG N . 25689 1 642 . 1 1 55 55 GLY H H 1 8.811 0.020 . 1 . . . . 55 GLY H . 25689 1 643 . 1 1 55 55 GLY HA2 H 1 3.993 0.020 . 2 . . . . 55 GLY HA2 . 25689 1 644 . 1 1 55 55 GLY HA3 H 1 3.596 0.020 . 2 . . . . 55 GLY HA3 . 25689 1 645 . 1 1 55 55 GLY C C 13 173.988 0.3 . 1 . . . . 55 GLY C . 25689 1 646 . 1 1 55 55 GLY CA C 13 45.062 0.3 . 1 . . . . 55 GLY CA . 25689 1 647 . 1 1 55 55 GLY N N 15 113.315 0.3 . 1 . . . . 55 GLY N . 25689 1 648 . 1 1 56 56 LYS H H 1 7.760 0.020 . 1 . . . . 56 LYS H . 25689 1 649 . 1 1 56 56 LYS HA H 1 4.578 0.020 . 1 . . . . 56 LYS HA . 25689 1 650 . 1 1 56 56 LYS HB2 H 1 1.806 0.020 . 1 . . . . 56 LYS HB2 . 25689 1 651 . 1 1 56 56 LYS HB3 H 1 1.806 0.020 . 1 . . . . 56 LYS HB3 . 25689 1 652 . 1 1 56 56 LYS HG2 H 1 1.259 0.020 . 1 . . . . 56 LYS HG2 . 25689 1 653 . 1 1 56 56 LYS HG3 H 1 1.259 0.020 . 1 . . . . 56 LYS HG3 . 25689 1 654 . 1 1 56 56 LYS HD2 H 1 1.568 0.020 . 1 . . . . 56 LYS HD2 . 25689 1 655 . 1 1 56 56 LYS HD3 H 1 1.568 0.020 . 1 . . . . 56 LYS HD3 . 25689 1 656 . 1 1 56 56 LYS HE2 H 1 3.011 0.020 . 1 . . . . 56 LYS HE2 . 25689 1 657 . 1 1 56 56 LYS HE3 H 1 3.011 0.020 . 1 . . . . 56 LYS HE3 . 25689 1 658 . 1 1 56 56 LYS C C 13 174.503 0.3 . 1 . . . . 56 LYS C . 25689 1 659 . 1 1 56 56 LYS CA C 13 53.188 0.3 . 1 . . . . 56 LYS CA . 25689 1 660 . 1 1 56 56 LYS CB C 13 33.713 0.3 . 1 . . . . 56 LYS CB . 25689 1 661 . 1 1 56 56 LYS CG C 13 24.485 0.3 . 1 . . . . 56 LYS CG . 25689 1 662 . 1 1 56 56 LYS CD C 13 29.096 0.3 . 1 . . . . 56 LYS CD . 25689 1 663 . 1 1 56 56 LYS CE C 13 43.031 0.3 . 1 . . . . 56 LYS CE . 25689 1 664 . 1 1 56 56 LYS N N 15 119.124 0.3 . 1 . . . . 56 LYS N . 25689 1 665 . 1 1 57 57 GLN H H 1 8.228 0.020 . 1 . . . . 57 GLN H . 25689 1 666 . 1 1 57 57 GLN HA H 1 5.081 0.020 . 1 . . . . 57 GLN HA . 25689 1 667 . 1 1 57 57 GLN HB2 H 1 1.564 0.020 . 2 . . . . 57 GLN HB2 . 25689 1 668 . 1 1 57 57 GLN HB3 H 1 1.798 0.020 . 2 . . . . 57 GLN HB3 . 25689 1 669 . 1 1 57 57 GLN HG2 H 1 1.916 0.020 . 2 . . . . 57 GLN HG2 . 25689 1 670 . 1 1 57 57 GLN HG3 H 1 2.099 0.020 . 2 . . . . 57 GLN HG3 . 25689 1 671 . 1 1 57 57 GLN HE21 H 1 7.420 0.020 . 1 . . . . 57 GLN HE21 . 25689 1 672 . 1 1 57 57 GLN HE22 H 1 6.582 0.020 . 1 . . . . 57 GLN HE22 . 25689 1 673 . 1 1 57 57 GLN C C 13 174.259 0.3 . 1 . . . . 57 GLN C . 25689 1 674 . 1 1 57 57 GLN CA C 13 53.923 0.3 . 1 . . . . 57 GLN CA . 25689 1 675 . 1 1 57 57 GLN CB C 13 32.298 0.3 . 1 . . . . 57 GLN CB . 25689 1 676 . 1 1 57 57 GLN CG C 13 32.298 0.3 . 1 . . . . 57 GLN CG . 25689 1 677 . 1 1 57 57 GLN N N 15 113.644 0.3 . 1 . . . . 57 GLN N . 25689 1 678 . 1 1 57 57 GLN NE2 N 15 111.372 0.3 . 1 . . . . 57 GLN NE2 . 25689 1 679 . 1 1 58 58 CYS H H 1 8.723 0.020 . 1 . . . . 58 CYS H . 25689 1 680 . 1 1 58 58 CYS HA H 1 4.758 0.020 . 1 . . . . 58 CYS HA . 25689 1 681 . 1 1 58 58 CYS HB2 H 1 3.052 0.020 . 1 . . . . 58 CYS HB2 . 25689 1 682 . 1 1 58 58 CYS HB3 H 1 3.052 0.020 . 1 . . . . 58 CYS HB3 . 25689 1 683 . 1 1 58 58 CYS C C 13 172.850 0.3 . 1 . . . . 58 CYS C . 25689 1 684 . 1 1 58 58 CYS CA C 13 56.813 0.3 . 1 . . . . 58 CYS CA . 25689 1 685 . 1 1 58 58 CYS CB C 13 47.984 0.3 . 1 . . . . 58 CYS CB . 25689 1 686 . 1 1 58 58 CYS N N 15 118.957 0.3 . 1 . . . . 58 CYS N . 25689 1 687 . 1 1 59 59 ARG H H 1 9.269 0.020 . 1 . . . . 59 ARG H . 25689 1 688 . 1 1 59 59 ARG HA H 1 5.210 0.020 . 1 . . . . 59 ARG HA . 25689 1 689 . 1 1 59 59 ARG HB2 H 1 1.712 0.020 . 2 . . . . 59 ARG HB2 . 25689 1 690 . 1 1 59 59 ARG HB3 H 1 1.658 0.020 . 2 . . . . 59 ARG HB3 . 25689 1 691 . 1 1 59 59 ARG HG2 H 1 1.535 0.020 . 2 . . . . 59 ARG HG2 . 25689 1 692 . 1 1 59 59 ARG HG3 H 1 1.424 0.020 . 2 . . . . 59 ARG HG3 . 25689 1 693 . 1 1 59 59 ARG HD2 H 1 2.997 0.020 . 1 . . . . 59 ARG HD2 . 25689 1 694 . 1 1 59 59 ARG HD3 H 1 2.997 0.020 . 1 . . . . 59 ARG HD3 . 25689 1 695 . 1 1 59 59 ARG C C 13 175.126 0.3 . 1 . . . . 59 ARG C . 25689 1 696 . 1 1 59 59 ARG CA C 13 55.122 0.3 . 1 . . . . 59 ARG CA . 25689 1 697 . 1 1 59 59 ARG CB C 13 31.176 0.3 . 1 . . . . 59 ARG CB . 25689 1 698 . 1 1 59 59 ARG CG C 13 26.951 0.3 . 1 . . . . 59 ARG CG . 25689 1 699 . 1 1 59 59 ARG CD C 13 42.905 0.3 . 1 . . . . 59 ARG CD . 25689 1 700 . 1 1 59 59 ARG N N 15 131.343 0.3 . 1 . . . . 59 ARG N . 25689 1 701 . 1 1 60 60 VAL H H 1 8.942 0.020 . 1 . . . . 60 VAL H . 25689 1 702 . 1 1 60 60 VAL HA H 1 5.024 0.020 . 1 . . . . 60 VAL HA . 25689 1 703 . 1 1 60 60 VAL HB H 1 1.796 0.020 . 1 . . . . 60 VAL HB . 25689 1 704 . 1 1 60 60 VAL HG11 H 1 0.702 0.020 . 2 . . . . 60 VAL HG1 . 25689 1 705 . 1 1 60 60 VAL HG12 H 1 0.702 0.020 . 2 . . . . 60 VAL HG1 . 25689 1 706 . 1 1 60 60 VAL HG13 H 1 0.702 0.020 . 2 . . . . 60 VAL HG1 . 25689 1 707 . 1 1 60 60 VAL HG21 H 1 0.542 0.020 . 2 . . . . 60 VAL HG2 . 25689 1 708 . 1 1 60 60 VAL HG22 H 1 0.542 0.020 . 2 . . . . 60 VAL HG2 . 25689 1 709 . 1 1 60 60 VAL HG23 H 1 0.542 0.020 . 2 . . . . 60 VAL HG2 . 25689 1 710 . 1 1 60 60 VAL C C 13 172.742 0.3 . 1 . . . . 60 VAL C . 25689 1 711 . 1 1 60 60 VAL CA C 13 57.548 0.3 . 1 . . . . 60 VAL CA . 25689 1 712 . 1 1 60 60 VAL CB C 13 34.661 0.3 . 1 . . . . 60 VAL CB . 25689 1 713 . 1 1 60 60 VAL CG1 C 13 22.606 0.3 . 1 . . . . 60 VAL CG1 . 25689 1 714 . 1 1 60 60 VAL CG2 C 13 17.470 0.3 . 1 . . . . 60 VAL CG2 . 25689 1 715 . 1 1 60 60 VAL N N 15 115.785 0.3 . 1 . . . . 60 VAL N . 25689 1 716 . 1 1 61 61 ASN H H 1 9.168 0.020 . 1 . . . . 61 ASN H . 25689 1 717 . 1 1 61 61 ASN HA H 1 5.406 0.020 . 1 . . . . 61 ASN HA . 25689 1 718 . 1 1 61 61 ASN HB2 H 1 2.768 0.020 . 2 . . . . 61 ASN HB2 . 25689 1 719 . 1 1 61 61 ASN HB3 H 1 2.193 0.020 . 2 . . . . 61 ASN HB3 . 25689 1 720 . 1 1 61 61 ASN C C 13 173.202 0.3 . 1 . . . . 61 ASN C . 25689 1 721 . 1 1 61 61 ASN CA C 13 51.961 0.3 . 1 . . . . 61 ASN CA . 25689 1 722 . 1 1 61 61 ASN CB C 13 42.632 0.3 . 1 . . . . 61 ASN CB . 25689 1 723 . 1 1 61 61 ASN N N 15 120.420 0.3 . 1 . . . . 61 ASN N . 25689 1 724 . 1 1 62 62 LEU H H 1 9.308 0.020 . 1 . . . . 62 LEU H . 25689 1 725 . 1 1 62 62 LEU HA H 1 4.736 0.020 . 1 . . . . 62 LEU HA . 25689 1 726 . 1 1 62 62 LEU HB2 H 1 1.225 0.020 . 2 . . . . 62 LEU HB2 . 25689 1 727 . 1 1 62 62 LEU HB3 H 1 1.182 0.020 . 2 . . . . 62 LEU HB3 . 25689 1 728 . 1 1 62 62 LEU HG H 1 1.153 0.020 . 1 . . . . 62 LEU HG . 25689 1 729 . 1 1 62 62 LEU HD11 H 1 0.351 0.020 . 1 . . . . 62 LEU HD1 . 25689 1 730 . 1 1 62 62 LEU HD12 H 1 0.351 0.020 . 1 . . . . 62 LEU HD1 . 25689 1 731 . 1 1 62 62 LEU HD13 H 1 0.351 0.020 . 1 . . . . 62 LEU HD1 . 25689 1 732 . 1 1 62 62 LEU HD21 H 1 0.351 0.020 . 1 . . . . 62 LEU HD2 . 25689 1 733 . 1 1 62 62 LEU HD22 H 1 0.351 0.020 . 1 . . . . 62 LEU HD2 . 25689 1 734 . 1 1 62 62 LEU HD23 H 1 0.351 0.020 . 1 . . . . 62 LEU HD2 . 25689 1 735 . 1 1 62 62 LEU C C 13 174.069 0.3 . 1 . . . . 62 LEU C . 25689 1 736 . 1 1 62 62 LEU CA C 13 53.316 0.3 . 1 . . . . 62 LEU CA . 25689 1 737 . 1 1 62 62 LEU CB C 13 43.029 0.3 . 1 . . . . 62 LEU CB . 25689 1 738 . 1 1 62 62 LEU CG C 13 26.773 0.3 . 1 . . . . 62 LEU CG . 25689 1 739 . 1 1 62 62 LEU CD1 C 13 24.986 0.3 . 1 . . . . 62 LEU CD1 . 25689 1 740 . 1 1 62 62 LEU N N 15 127.932 0.3 . 1 . . . . 62 LEU N . 25689 1 741 . 1 1 63 63 LYS H H 1 8.148 0.020 . 1 . . . . 63 LYS H . 25689 1 742 . 1 1 63 63 LYS HA H 1 5.208 0.020 . 1 . . . . 63 LYS HA . 25689 1 743 . 1 1 63 63 LYS HB2 H 1 1.635 0.020 . 1 . . . . 63 LYS HB2 . 25689 1 744 . 1 1 63 63 LYS HB3 H 1 1.635 0.020 . 1 . . . . 63 LYS HB3 . 25689 1 745 . 1 1 63 63 LYS HG2 H 1 1.371 0.020 . 1 . . . . 63 LYS HG2 . 25689 1 746 . 1 1 63 63 LYS HG3 H 1 1.371 0.020 . 1 . . . . 63 LYS HG3 . 25689 1 747 . 1 1 63 63 LYS HD2 H 1 1.346 0.020 . 1 . . . . 63 LYS HD2 . 25689 1 748 . 1 1 63 63 LYS HD3 H 1 1.346 0.020 . 1 . . . . 63 LYS HD3 . 25689 1 749 . 1 1 63 63 LYS HE2 H 1 2.775 0.020 . 1 . . . . 63 LYS HE2 . 25689 1 750 . 1 1 63 63 LYS HE3 H 1 2.775 0.020 . 1 . . . . 63 LYS HE3 . 25689 1 751 . 1 1 63 63 LYS C C 13 176.698 0.3 . 1 . . . . 63 LYS C . 25689 1 752 . 1 1 63 63 LYS CA C 13 53.842 0.3 . 1 . . . . 63 LYS CA . 25689 1 753 . 1 1 63 63 LYS CB C 13 32.786 0.3 . 1 . . . . 63 LYS CB . 25689 1 754 . 1 1 63 63 LYS CG C 13 24.673 0.3 . 1 . . . . 63 LYS CG . 25689 1 755 . 1 1 63 63 LYS CD C 13 28.150 0.3 . 1 . . . . 63 LYS CD . 25689 1 756 . 1 1 63 63 LYS CE C 13 41.777 0.3 . 1 . . . . 63 LYS CE . 25689 1 757 . 1 1 63 63 LYS N N 15 121.317 0.3 . 1 . . . . 63 LYS N . 25689 1 758 . 1 1 64 64 LEU H H 1 8.407 0.020 . 1 . . . . 64 LEU H . 25689 1 759 . 1 1 64 64 LEU HA H 1 4.734 0.020 . 1 . . . . 64 LEU HA . 25689 1 760 . 1 1 64 64 LEU HB2 H 1 1.476 0.020 . 2 . . . . 64 LEU HB2 . 25689 1 761 . 1 1 64 64 LEU HB3 H 1 1.509 0.020 . 2 . . . . 64 LEU HB3 . 25689 1 762 . 1 1 64 64 LEU HG H 1 0.859 0.020 . 1 . . . . 64 LEU HG . 25689 1 763 . 1 1 64 64 LEU HD11 H 1 0.278 0.020 . 2 . . . . 64 LEU HD1 . 25689 1 764 . 1 1 64 64 LEU HD12 H 1 0.278 0.020 . 2 . . . . 64 LEU HD1 . 25689 1 765 . 1 1 64 64 LEU HD13 H 1 0.278 0.020 . 2 . . . . 64 LEU HD1 . 25689 1 766 . 1 1 64 64 LEU HD21 H 1 -0.062 0.020 . 2 . . . . 64 LEU HD2 . 25689 1 767 . 1 1 64 64 LEU HD22 H 1 -0.062 0.020 . 2 . . . . 64 LEU HD2 . 25689 1 768 . 1 1 64 64 LEU HD23 H 1 -0.062 0.020 . 2 . . . . 64 LEU HD2 . 25689 1 769 . 1 1 64 64 LEU C C 13 176.102 0.3 . 1 . . . . 64 LEU C . 25689 1 770 . 1 1 64 64 LEU CA C 13 52.452 0.3 . 1 . . . . 64 LEU CA . 25689 1 771 . 1 1 64 64 LEU CB C 13 44.841 0.3 . 1 . . . . 64 LEU CB . 25689 1 772 . 1 1 64 64 LEU CG C 13 26.676 0.3 . 1 . . . . 64 LEU CG . 25689 1 773 . 1 1 64 64 LEU CD1 C 13 25.499 0.3 . 1 . . . . 64 LEU CD1 . 25689 1 774 . 1 1 64 64 LEU CD2 C 13 23.412 0.3 . 1 . . . . 64 LEU CD2 . 25689 1 775 . 1 1 64 64 LEU N N 15 124.209 0.3 . 1 . . . . 64 LEU N . 25689 1 776 . 1 1 65 65 ILE H H 1 9.150 0.020 . 1 . . . . 65 ILE H . 25689 1 777 . 1 1 65 65 ILE HA H 1 4.395 0.020 . 1 . . . . 65 ILE HA . 25689 1 778 . 1 1 65 65 ILE HB H 1 1.647 0.020 . 1 . . . . 65 ILE HB . 25689 1 779 . 1 1 65 65 ILE HG12 H 1 1.208 0.020 . 1 . . . . 65 ILE HG12 . 25689 1 780 . 1 1 65 65 ILE HG21 H 1 0.889 0.020 . 1 . . . . 65 ILE HG2 . 25689 1 781 . 1 1 65 65 ILE HG22 H 1 0.889 0.020 . 1 . . . . 65 ILE HG2 . 25689 1 782 . 1 1 65 65 ILE HG23 H 1 0.889 0.020 . 1 . . . . 65 ILE HG2 . 25689 1 783 . 1 1 65 65 ILE HD11 H 1 0.704 0.020 . 1 . . . . 65 ILE HD1 . 25689 1 784 . 1 1 65 65 ILE HD12 H 1 0.704 0.020 . 1 . . . . 65 ILE HD1 . 25689 1 785 . 1 1 65 65 ILE HD13 H 1 0.704 0.020 . 1 . . . . 65 ILE HD1 . 25689 1 786 . 1 1 65 65 ILE C C 13 174.666 0.3 . 1 . . . . 65 ILE C . 25689 1 787 . 1 1 65 65 ILE CA C 13 57.116 0.3 . 1 . . . . 65 ILE CA . 25689 1 788 . 1 1 65 65 ILE CB C 13 39.277 0.3 . 1 . . . . 65 ILE CB . 25689 1 789 . 1 1 65 65 ILE CG1 C 13 25.770 0.3 . 1 . . . . 65 ILE CG1 . 25689 1 790 . 1 1 65 65 ILE CD1 C 13 15.933 0.3 . 1 . . . . 65 ILE CD1 . 25689 1 791 . 1 1 65 65 ILE N N 15 121.349 0.3 . 1 . . . . 65 ILE N . 25689 1 792 . 1 1 66 66 PRO C C 13 176.140 0.3 . 1 . . . . 66 PRO C . 25689 1 793 . 1 1 66 66 PRO CA C 13 63.125 0.3 . 1 . . . . 66 PRO CA . 25689 1 794 . 1 1 66 66 PRO CB C 13 32.526 0.3 . 1 . . . . 66 PRO CB . 25689 1 795 . 1 1 67 67 THR H H 1 8.335 0.020 . 1 . . . . 67 THR H . 25689 1 796 . 1 1 67 67 THR HA H 1 4.574 0.020 . 1 . . . . 67 THR HA . 25689 1 797 . 1 1 67 67 THR HB H 1 4.201 0.020 . 1 . . . . 67 THR HB . 25689 1 798 . 1 1 67 67 THR HG21 H 1 1.106 0.020 . 1 . . . . 67 THR HG2 . 25689 1 799 . 1 1 67 67 THR HG22 H 1 1.106 0.020 . 1 . . . . 67 THR HG2 . 25689 1 800 . 1 1 67 67 THR HG23 H 1 1.106 0.020 . 1 . . . . 67 THR HG2 . 25689 1 801 . 1 1 67 67 THR C C 13 174.639 0.3 . 1 . . . . 67 THR C . 25689 1 802 . 1 1 67 67 THR CA C 13 60.164 0.3 . 1 . . . . 67 THR CA . 25689 1 803 . 1 1 67 67 THR CB C 13 71.035 0.3 . 1 . . . . 67 THR CB . 25689 1 804 . 1 1 67 67 THR N N 15 117.899 0.3 . 1 . . . . 67 THR N . 25689 1 805 . 1 1 68 68 GLY H H 1 8.651 0.020 . 1 . . . . 68 GLY H . 25689 1 806 . 1 1 68 68 GLY CA C 13 46.266 0.3 . 1 . . . . 68 GLY CA . 25689 1 807 . 1 1 68 68 GLY N N 15 111.567 0.3 . 1 . . . . 68 GLY N . 25689 1 808 . 1 1 69 69 THR HA H 1 4.567 0.020 . 1 . . . . 69 THR HA . 25689 1 809 . 1 1 69 69 THR HB H 1 4.194 0.020 . 1 . . . . 69 THR HB . 25689 1 810 . 1 1 69 69 THR HG21 H 1 1.094 0.020 . 1 . . . . 69 THR HG2 . 25689 1 811 . 1 1 69 69 THR HG22 H 1 1.094 0.020 . 1 . . . . 69 THR HG2 . 25689 1 812 . 1 1 69 69 THR HG23 H 1 1.094 0.020 . 1 . . . . 69 THR HG2 . 25689 1 813 . 1 1 69 69 THR C C 13 174.119 0.3 . 1 . . . . 69 THR C . 25689 1 814 . 1 1 69 69 THR CA C 13 60.564 0.3 . 1 . . . . 69 THR CA . 25689 1 815 . 1 1 69 69 THR CB C 13 68.507 0.3 . 1 . . . . 69 THR CB . 25689 1 816 . 1 1 70 70 GLY H H 1 7.502 0.020 . 1 . . . . 70 GLY H . 25689 1 817 . 1 1 70 70 GLY HA2 H 1 3.917 0.020 . 1 . . . . 70 GLY HA2 . 25689 1 818 . 1 1 70 70 GLY HA3 H 1 3.917 0.020 . 1 . . . . 70 GLY HA3 . 25689 1 819 . 1 1 70 70 GLY C C 13 171.685 0.3 . 1 . . . . 70 GLY C . 25689 1 820 . 1 1 70 70 GLY CA C 13 44.061 0.3 . 1 . . . . 70 GLY CA . 25689 1 821 . 1 1 70 70 GLY N N 15 110.933 0.3 . 1 . . . . 70 GLY N . 25689 1 822 . 1 1 71 71 ALA H H 1 9.374 0.020 . 1 . . . . 71 ALA H . 25689 1 823 . 1 1 71 71 ALA HA H 1 5.110 0.020 . 1 . . . . 71 ALA HA . 25689 1 824 . 1 1 71 71 ALA HB1 H 1 1.116 0.020 . 1 . . . . 71 ALA HB . 25689 1 825 . 1 1 71 71 ALA HB2 H 1 1.116 0.020 . 1 . . . . 71 ALA HB . 25689 1 826 . 1 1 71 71 ALA HB3 H 1 1.116 0.020 . 1 . . . . 71 ALA HB . 25689 1 827 . 1 1 71 71 ALA C C 13 175.777 0.3 . 1 . . . . 71 ALA C . 25689 1 828 . 1 1 71 71 ALA CA C 13 49.726 0.3 . 1 . . . . 71 ALA CA . 25689 1 829 . 1 1 71 71 ALA CB C 13 21.650 0.3 . 1 . . . . 71 ALA CB . 25689 1 830 . 1 1 71 71 ALA N N 15 124.818 0.3 . 1 . . . . 71 ALA N . 25689 1 831 . 1 1 72 72 LEU H H 1 8.340 0.020 . 1 . . . . 72 LEU H . 25689 1 832 . 1 1 72 72 LEU HA H 1 4.728 0.020 . 1 . . . . 72 LEU HA . 25689 1 833 . 1 1 72 72 LEU HB2 H 1 1.573 0.020 . 1 . . . . 72 LEU HB2 . 25689 1 834 . 1 1 72 72 LEU HB3 H 1 1.573 0.020 . 1 . . . . 72 LEU HB3 . 25689 1 835 . 1 1 72 72 LEU HG H 1 1.479 0.020 . 1 . . . . 72 LEU HG . 25689 1 836 . 1 1 72 72 LEU HD11 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 25689 1 837 . 1 1 72 72 LEU HD12 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 25689 1 838 . 1 1 72 72 LEU HD13 H 1 0.776 0.020 . 2 . . . . 72 LEU HD1 . 25689 1 839 . 1 1 72 72 LEU HD21 H 1 0.770 0.020 . 2 . . . . 72 LEU HD2 . 25689 1 840 . 1 1 72 72 LEU HD22 H 1 0.770 0.020 . 2 . . . . 72 LEU HD2 . 25689 1 841 . 1 1 72 72 LEU HD23 H 1 0.770 0.020 . 2 . . . . 72 LEU HD2 . 25689 1 842 . 1 1 72 72 LEU C C 13 176.861 0.3 . 1 . . . . 72 LEU C . 25689 1 843 . 1 1 72 72 LEU CA C 13 51.745 0.3 . 1 . . . . 72 LEU CA . 25689 1 844 . 1 1 72 72 LEU CB C 13 43.570 0.3 . 1 . . . . 72 LEU CB . 25689 1 845 . 1 1 72 72 LEU CG C 13 26.083 0.3 . 1 . . . . 72 LEU CG . 25689 1 846 . 1 1 72 72 LEU CD1 C 13 24.485 0.3 . 1 . . . . 72 LEU CD1 . 25689 1 847 . 1 1 72 72 LEU CD2 C 13 22.230 0.3 . 1 . . . . 72 LEU CD2 . 25689 1 848 . 1 1 72 72 LEU N N 15 121.083 0.3 . 1 . . . . 72 LEU N . 25689 1 849 . 1 1 73 73 LEU H H 1 8.636 0.020 . 1 . . . . 73 LEU H . 25689 1 850 . 1 1 73 73 LEU HA H 1 3.919 0.020 . 1 . . . . 73 LEU HA . 25689 1 851 . 1 1 73 73 LEU HB2 H 1 1.807 0.020 . 2 . . . . 73 LEU HB2 . 25689 1 852 . 1 1 73 73 LEU HB3 H 1 1.321 0.020 . 2 . . . . 73 LEU HB3 . 25689 1 853 . 1 1 73 73 LEU HG H 1 1.101 0.020 . 1 . . . . 73 LEU HG . 25689 1 854 . 1 1 73 73 LEU HD11 H 1 0.733 0.020 . 2 . . . . 73 LEU HD1 . 25689 1 855 . 1 1 73 73 LEU HD12 H 1 0.733 0.020 . 2 . . . . 73 LEU HD1 . 25689 1 856 . 1 1 73 73 LEU HD13 H 1 0.733 0.020 . 2 . . . . 73 LEU HD1 . 25689 1 857 . 1 1 73 73 LEU HD21 H 1 0.577 0.020 . 2 . . . . 73 LEU HD2 . 25689 1 858 . 1 1 73 73 LEU HD22 H 1 0.577 0.020 . 2 . . . . 73 LEU HD2 . 25689 1 859 . 1 1 73 73 LEU HD23 H 1 0.577 0.020 . 2 . . . . 73 LEU HD2 . 25689 1 860 . 1 1 73 73 LEU C C 13 176.021 0.3 . 1 . . . . 73 LEU C . 25689 1 861 . 1 1 73 73 LEU CA C 13 55.725 0.3 . 1 . . . . 73 LEU CA . 25689 1 862 . 1 1 73 73 LEU CB C 13 41.814 0.3 . 1 . . . . 73 LEU CB . 25689 1 863 . 1 1 73 73 LEU CG C 13 25.613 0.3 . 1 . . . . 73 LEU CG . 25689 1 864 . 1 1 73 73 LEU CD1 C 13 23.916 0.3 . 1 . . . . 73 LEU CD1 . 25689 1 865 . 1 1 73 73 LEU N N 15 121.615 0.3 . 1 . . . . 73 LEU N . 25689 1 866 . 1 1 74 74 GLY H H 1 9.218 0.020 . 1 . . . . 74 GLY H . 25689 1 867 . 1 1 74 74 GLY HA2 H 1 4.053 0.020 . 2 . . . . 74 GLY HA2 . 25689 1 868 . 1 1 74 74 GLY HA3 H 1 3.430 0.020 . 2 . . . . 74 GLY HA3 . 25689 1 869 . 1 1 74 74 GLY C C 13 173.798 0.3 . 1 . . . . 74 GLY C . 25689 1 870 . 1 1 74 74 GLY CA C 13 45.631 0.3 . 1 . . . . 74 GLY CA . 25689 1 871 . 1 1 74 74 GLY N N 15 119.490 0.3 . 1 . . . . 74 GLY N . 25689 1 872 . 1 1 75 75 SER H H 1 7.848 0.020 . 1 . . . . 75 SER H . 25689 1 873 . 1 1 75 75 SER HA H 1 4.331 0.020 . 1 . . . . 75 SER HA . 25689 1 874 . 1 1 75 75 SER HB2 H 1 3.696 0.020 . 2 . . . . 75 SER HB2 . 25689 1 875 . 1 1 75 75 SER HB3 H 1 3.608 0.020 . 2 . . . . 75 SER HB3 . 25689 1 876 . 1 1 75 75 SER C C 13 171.305 0.3 . 1 . . . . 75 SER C . 25689 1 877 . 1 1 75 75 SER CA C 13 57.466 0.3 . 1 . . . . 75 SER CA . 25689 1 878 . 1 1 75 75 SER CB C 13 64.496 0.3 . 1 . . . . 75 SER CB . 25689 1 879 . 1 1 75 75 SER N N 15 112.555 0.3 . 1 . . . . 75 SER N . 25689 1 880 . 1 1 76 76 LEU H H 1 8.564 0.020 . 1 . . . . 76 LEU H . 25689 1 881 . 1 1 76 76 LEU HA H 1 5.170 0.020 . 1 . . . . 76 LEU HA . 25689 1 882 . 1 1 76 76 LEU HB2 H 1 1.677 0.020 . 2 . . . . 76 LEU HB2 . 25689 1 883 . 1 1 76 76 LEU HB3 H 1 1.344 0.020 . 2 . . . . 76 LEU HB3 . 25689 1 884 . 1 1 76 76 LEU HG H 1 1.330 0.020 . 1 . . . . 76 LEU HG . 25689 1 885 . 1 1 76 76 LEU HD11 H 1 0.702 0.020 . 2 . . . . 76 LEU HD1 . 25689 1 886 . 1 1 76 76 LEU HD12 H 1 0.702 0.020 . 2 . . . . 76 LEU HD1 . 25689 1 887 . 1 1 76 76 LEU HD13 H 1 0.702 0.020 . 2 . . . . 76 LEU HD1 . 25689 1 888 . 1 1 76 76 LEU HD21 H 1 0.676 0.020 . 2 . . . . 76 LEU HD2 . 25689 1 889 . 1 1 76 76 LEU HD22 H 1 0.676 0.020 . 2 . . . . 76 LEU HD2 . 25689 1 890 . 1 1 76 76 LEU HD23 H 1 0.676 0.020 . 2 . . . . 76 LEU HD2 . 25689 1 891 . 1 1 76 76 LEU C C 13 175.587 0.3 . 1 . . . . 76 LEU C . 25689 1 892 . 1 1 76 76 LEU CA C 13 53.143 0.3 . 1 . . . . 76 LEU CA . 25689 1 893 . 1 1 76 76 LEU CB C 13 44.388 0.3 . 1 . . . . 76 LEU CB . 25689 1 894 . 1 1 76 76 LEU CG C 13 27.023 0.3 . 1 . . . . 76 LEU CG . 25689 1 895 . 1 1 76 76 LEU CD1 C 13 25.425 0.3 . 1 . . . . 76 LEU CD1 . 25689 1 896 . 1 1 76 76 LEU N N 15 125.458 0.3 . 1 . . . . 76 LEU N . 25689 1 897 . 1 1 77 77 THR H H 1 9.074 0.020 . 1 . . . . 77 THR H . 25689 1 898 . 1 1 77 77 THR HA H 1 4.463 0.020 . 1 . . . . 77 THR HA . 25689 1 899 . 1 1 77 77 THR HB H 1 3.778 0.020 . 1 . . . . 77 THR HB . 25689 1 900 . 1 1 77 77 THR HG21 H 1 1.032 0.020 . 1 . . . . 77 THR HG2 . 25689 1 901 . 1 1 77 77 THR HG22 H 1 1.032 0.020 . 1 . . . . 77 THR HG2 . 25689 1 902 . 1 1 77 77 THR HG23 H 1 1.032 0.020 . 1 . . . . 77 THR HG2 . 25689 1 903 . 1 1 77 77 THR C C 13 173.500 0.3 . 1 . . . . 77 THR C . 25689 1 904 . 1 1 77 77 THR CA C 13 60.880 0.3 . 1 . . . . 77 THR CA . 25689 1 905 . 1 1 77 77 THR CB C 13 70.700 0.3 . 1 . . . . 77 THR CB . 25689 1 906 . 1 1 77 77 THR CG2 C 13 25.650 0.3 . 1 . . . . 77 THR CG2 . 25689 1 907 . 1 1 77 77 THR N N 15 123.477 0.3 . 1 . . . . 77 THR N . 25689 1 908 . 1 1 78 78 VAL H H 1 9.053 0.020 . 1 . . . . 78 VAL H . 25689 1 909 . 1 1 78 78 VAL HA H 1 3.713 0.020 . 1 . . . . 78 VAL HA . 25689 1 910 . 1 1 78 78 VAL HB H 1 1.838 0.020 . 1 . . . . 78 VAL HB . 25689 1 911 . 1 1 78 78 VAL HG11 H 1 0.714 0.020 . 2 . . . . 78 VAL HG1 . 25689 1 912 . 1 1 78 78 VAL HG12 H 1 0.714 0.020 . 2 . . . . 78 VAL HG1 . 25689 1 913 . 1 1 78 78 VAL HG13 H 1 0.714 0.020 . 2 . . . . 78 VAL HG1 . 25689 1 914 . 1 1 78 78 VAL HG21 H 1 0.667 0.020 . 2 . . . . 78 VAL HG2 . 25689 1 915 . 1 1 78 78 VAL HG22 H 1 0.667 0.020 . 2 . . . . 78 VAL HG2 . 25689 1 916 . 1 1 78 78 VAL HG23 H 1 0.667 0.020 . 2 . . . . 78 VAL HG2 . 25689 1 917 . 1 1 78 78 VAL C C 13 175.181 0.3 . 1 . . . . 78 VAL C . 25689 1 918 . 1 1 78 78 VAL CA C 13 63.614 0.3 . 1 . . . . 78 VAL CA . 25689 1 919 . 1 1 78 78 VAL CB C 13 31.323 0.3 . 1 . . . . 78 VAL CB . 25689 1 920 . 1 1 78 78 VAL CG1 C 13 21.290 0.3 . 1 . . . . 78 VAL CG1 . 25689 1 921 . 1 1 78 78 VAL CG2 C 13 21.585 0.3 . 1 . . . . 78 VAL CG2 . 25689 1 922 . 1 1 78 78 VAL N N 15 129.044 0.3 . 1 . . . . 78 VAL N . 25689 1 923 . 1 1 79 79 LEU H H 1 9.085 0.020 . 1 . . . . 79 LEU H . 25689 1 924 . 1 1 79 79 LEU HA H 1 4.238 0.020 . 1 . . . . 79 LEU HA . 25689 1 925 . 1 1 79 79 LEU HB2 H 1 1.358 0.020 . 1 . . . . 79 LEU HB2 . 25689 1 926 . 1 1 79 79 LEU HB3 H 1 1.358 0.020 . 1 . . . . 79 LEU HB3 . 25689 1 927 . 1 1 79 79 LEU HG H 1 1.077 0.020 . 1 . . . . 79 LEU HG . 25689 1 928 . 1 1 79 79 LEU HD11 H 1 0.561 0.020 . 1 . . . . 79 LEU HD1 . 25689 1 929 . 1 1 79 79 LEU HD12 H 1 0.561 0.020 . 1 . . . . 79 LEU HD1 . 25689 1 930 . 1 1 79 79 LEU HD13 H 1 0.561 0.020 . 1 . . . . 79 LEU HD1 . 25689 1 931 . 1 1 79 79 LEU HD21 H 1 0.561 0.020 . 1 . . . . 79 LEU HD2 . 25689 1 932 . 1 1 79 79 LEU HD22 H 1 0.561 0.020 . 1 . . . . 79 LEU HD2 . 25689 1 933 . 1 1 79 79 LEU HD23 H 1 0.561 0.020 . 1 . . . . 79 LEU HD2 . 25689 1 934 . 1 1 79 79 LEU C C 13 176.535 0.3 . 1 . . . . 79 LEU C . 25689 1 935 . 1 1 79 79 LEU CA C 13 55.549 0.3 . 1 . . . . 79 LEU CA . 25689 1 936 . 1 1 79 79 LEU CB C 13 41.188 0.3 . 1 . . . . 79 LEU CB . 25689 1 937 . 1 1 79 79 LEU CG C 13 25.932 0.3 . 1 . . . . 79 LEU CG . 25689 1 938 . 1 1 79 79 LEU CD1 C 13 24.307 0.3 . 1 . . . . 79 LEU CD1 . 25689 1 939 . 1 1 79 79 LEU CD2 C 13 24.307 0.3 . 1 . . . . 79 LEU CD2 . 25689 1 940 . 1 1 79 79 LEU N N 15 129.788 0.3 . 1 . . . . 79 LEU N . 25689 1 941 . 1 1 80 80 ASP H H 1 7.795 0.020 . 1 . . . . 80 ASP H . 25689 1 942 . 1 1 80 80 ASP HA H 1 4.486 0.020 . 1 . . . . 80 ASP HA . 25689 1 943 . 1 1 80 80 ASP HB2 H 1 2.743 0.020 . 2 . . . . 80 ASP HB2 . 25689 1 944 . 1 1 80 80 ASP HB3 H 1 2.655 0.020 . 2 . . . . 80 ASP HB3 . 25689 1 945 . 1 1 80 80 ASP C C 13 173.419 0.3 . 1 . . . . 80 ASP C . 25689 1 946 . 1 1 80 80 ASP CA C 13 52.971 0.3 . 1 . . . . 80 ASP CA . 25689 1 947 . 1 1 80 80 ASP CB C 13 41.854 0.3 . 1 . . . . 80 ASP CB . 25689 1 948 . 1 1 80 80 ASP N N 15 114.624 0.3 . 1 . . . . 80 ASP N . 25689 1 949 . 1 1 81 81 GLY H H 1 8.101 0.020 . 1 . . . . 81 GLY H . 25689 1 950 . 1 1 81 81 GLY HA2 H 1 5.002 0.020 . 2 . . . . 81 GLY HA2 . 25689 1 951 . 1 1 81 81 GLY HA3 H 1 3.788 0.020 . 2 . . . . 81 GLY HA3 . 25689 1 952 . 1 1 81 81 GLY C C 13 173.744 0.3 . 1 . . . . 81 GLY C . 25689 1 953 . 1 1 81 81 GLY CA C 13 43.979 0.3 . 1 . . . . 81 GLY CA . 25689 1 954 . 1 1 81 81 GLY N N 15 105.114 0.3 . 1 . . . . 81 GLY N . 25689 1 955 . 1 1 82 82 ASP H H 1 7.586 0.020 . 1 . . . . 82 ASP H . 25689 1 956 . 1 1 82 82 ASP HA H 1 4.384 0.020 . 1 . . . . 82 ASP HA . 25689 1 957 . 1 1 82 82 ASP HB2 H 1 2.742 0.020 . 2 . . . . 82 ASP HB2 . 25689 1 958 . 1 1 82 82 ASP HB3 H 1 2.287 0.020 . 2 . . . . 82 ASP HB3 . 25689 1 959 . 1 1 82 82 ASP C C 13 176.508 0.3 . 1 . . . . 82 ASP C . 25689 1 960 . 1 1 82 82 ASP CA C 13 54.170 0.3 . 1 . . . . 82 ASP CA . 25689 1 961 . 1 1 82 82 ASP CB C 13 43.802 0.3 . 1 . . . . 82 ASP CB . 25689 1 962 . 1 1 82 82 ASP N N 15 119.480 0.3 . 1 . . . . 82 ASP N . 25689 1 963 . 1 1 85 85 LEU H H 1 8.921 0.020 . 1 . . . . 85 LEU H . 25689 1 964 . 1 1 85 85 LEU HA H 1 4.061 0.020 . 1 . . . . 85 LEU HA . 25689 1 965 . 1 1 85 85 LEU HB2 H 1 1.567 0.020 . 1 . . . . 85 LEU HB2 . 25689 1 966 . 1 1 85 85 LEU HB3 H 1 1.567 0.020 . 1 . . . . 85 LEU HB3 . 25689 1 967 . 1 1 85 85 LEU HG H 1 1.463 0.020 . 1 . . . . 85 LEU HG . 25689 1 968 . 1 1 85 85 LEU HD11 H 1 0.882 0.020 . 1 . . . . 85 LEU HD1 . 25689 1 969 . 1 1 85 85 LEU HD12 H 1 0.882 0.020 . 1 . . . . 85 LEU HD1 . 25689 1 970 . 1 1 85 85 LEU HD13 H 1 0.882 0.020 . 1 . . . . 85 LEU HD1 . 25689 1 971 . 1 1 85 85 LEU HD21 H 1 0.882 0.020 . 1 . . . . 85 LEU HD2 . 25689 1 972 . 1 1 85 85 LEU HD22 H 1 0.882 0.020 . 1 . . . . 85 LEU HD2 . 25689 1 973 . 1 1 85 85 LEU HD23 H 1 0.882 0.020 . 1 . . . . 85 LEU HD2 . 25689 1 974 . 1 1 85 85 LEU C C 13 180.817 0.3 . 1 . . . . 85 LEU C . 25689 1 975 . 1 1 85 85 LEU CA C 13 56.543 0.3 . 1 . . . . 85 LEU CA . 25689 1 976 . 1 1 85 85 LEU CB C 13 39.604 0.3 . 1 . . . . 85 LEU CB . 25689 1 977 . 1 1 85 85 LEU CG C 13 29.338 0.3 . 1 . . . . 85 LEU CG . 25689 1 978 . 1 1 85 85 LEU CD1 C 13 27.504 0.3 . 1 . . . . 85 LEU CD1 . 25689 1 979 . 1 1 85 85 LEU N N 15 124.670 0.3 . 1 . . . . 85 LEU N . 25689 1 980 . 1 1 86 86 CYS H H 1 9.450 0.020 . 1 . . . . 86 CYS H . 25689 1 981 . 1 1 86 86 CYS HA H 1 4.450 0.020 . 1 . . . . 86 CYS HA . 25689 1 982 . 1 1 86 86 CYS HB2 H 1 2.848 0.020 . 1 . . . . 86 CYS HB2 . 25689 1 983 . 1 1 86 86 CYS HB3 H 1 2.848 0.020 . 1 . . . . 86 CYS HB3 . 25689 1 984 . 1 1 86 86 CYS HG H 1 2.568 0.020 . 1 . . . . 86 CYS HG . 25689 1 985 . 1 1 86 86 CYS C C 13 176.644 0.3 . 1 . . . . 86 CYS C . 25689 1 986 . 1 1 86 86 CYS CA C 13 55.586 0.3 . 1 . . . . 86 CYS CA . 25689 1 987 . 1 1 86 86 CYS CB C 13 37.358 0.3 . 1 . . . . 86 CYS CB . 25689 1 988 . 1 1 86 86 CYS N N 15 120.942 0.3 . 1 . . . . 86 CYS N . 25689 1 989 . 1 1 87 87 ALA H H 1 8.013 0.020 . 1 . . . . 87 ALA H . 25689 1 990 . 1 1 87 87 ALA HA H 1 4.001 0.020 . 1 . . . . 87 ALA HA . 25689 1 991 . 1 1 87 87 ALA HB1 H 1 1.469 0.020 . 1 . . . . 87 ALA HB . 25689 1 992 . 1 1 87 87 ALA HB2 H 1 1.469 0.020 . 1 . . . . 87 ALA HB . 25689 1 993 . 1 1 87 87 ALA HB3 H 1 1.469 0.020 . 1 . . . . 87 ALA HB . 25689 1 994 . 1 1 87 87 ALA C C 13 180.519 0.3 . 1 . . . . 87 ALA C . 25689 1 995 . 1 1 87 87 ALA CA C 13 55.070 0.3 . 1 . . . . 87 ALA CA . 25689 1 996 . 1 1 87 87 ALA CB C 13 17.019 0.3 . 1 . . . . 87 ALA CB . 25689 1 997 . 1 1 87 87 ALA N N 15 125.368 0.3 . 1 . . . . 87 ALA N . 25689 1 998 . 1 1 88 88 ALA H H 1 7.711 0.020 . 1 . . . . 88 ALA H . 25689 1 999 . 1 1 88 88 ALA HA H 1 4.150 0.020 . 1 . . . . 88 ALA HA . 25689 1 1000 . 1 1 88 88 ALA HB1 H 1 1.523 0.020 . 1 . . . . 88 ALA HB . 25689 1 1001 . 1 1 88 88 ALA HB2 H 1 1.523 0.020 . 1 . . . . 88 ALA HB . 25689 1 1002 . 1 1 88 88 ALA HB3 H 1 1.523 0.020 . 1 . . . . 88 ALA HB . 25689 1 1003 . 1 1 88 88 ALA C C 13 180.817 0.3 . 1 . . . . 88 ALA C . 25689 1 1004 . 1 1 88 88 ALA CA C 13 54.416 0.3 . 1 . . . . 88 ALA CA . 25689 1 1005 . 1 1 88 88 ALA CB C 13 18.001 0.3 . 1 . . . . 88 ALA CB . 25689 1 1006 . 1 1 88 88 ALA N N 15 121.622 0.3 . 1 . . . . 88 ALA N . 25689 1 1007 . 1 1 89 89 THR H H 1 8.559 0.020 . 1 . . . . 89 THR H . 25689 1 1008 . 1 1 89 89 THR HA H 1 3.490 0.020 . 1 . . . . 89 THR HA . 25689 1 1009 . 1 1 89 89 THR HB H 1 4.410 0.020 . 1 . . . . 89 THR HB . 25689 1 1010 . 1 1 89 89 THR HG21 H 1 0.928 0.020 . 1 . . . . 89 THR HG2 . 25689 1 1011 . 1 1 89 89 THR HG22 H 1 0.928 0.020 . 1 . . . . 89 THR HG2 . 25689 1 1012 . 1 1 89 89 THR HG23 H 1 0.928 0.020 . 1 . . . . 89 THR HG2 . 25689 1 1013 . 1 1 89 89 THR C C 13 175.235 0.3 . 1 . . . . 89 THR C . 25689 1 1014 . 1 1 89 89 THR CA C 13 67.411 0.3 . 1 . . . . 89 THR CA . 25689 1 1015 . 1 1 89 89 THR CB C 13 66.524 0.3 . 1 . . . . 89 THR CB . 25689 1 1016 . 1 1 89 89 THR N N 15 120.686 0.3 . 1 . . . . 89 THR N . 25689 1 1017 . 1 1 90 90 LYS H H 1 7.958 0.020 . 1 . . . . 90 LYS H . 25689 1 1018 . 1 1 90 90 LYS HA H 1 4.433 0.020 . 1 . . . . 90 LYS HA . 25689 1 1019 . 1 1 90 90 LYS HB2 H 1 1.799 0.020 . 1 . . . . 90 LYS HB2 . 25689 1 1020 . 1 1 90 90 LYS HB3 H 1 1.799 0.020 . 1 . . . . 90 LYS HB3 . 25689 1 1021 . 1 1 90 90 LYS HG2 H 1 1.489 0.020 . 1 . . . . 90 LYS HG2 . 25689 1 1022 . 1 1 90 90 LYS HG3 H 1 1.489 0.020 . 1 . . . . 90 LYS HG3 . 25689 1 1023 . 1 1 90 90 LYS HD2 H 1 1.728 0.020 . 1 . . . . 90 LYS HD2 . 25689 1 1024 . 1 1 90 90 LYS HD3 H 1 1.728 0.020 . 1 . . . . 90 LYS HD3 . 25689 1 1025 . 1 1 90 90 LYS HE2 H 1 2.89 0.020 . 1 . . . . 90 LYS HE2 . 25689 1 1026 . 1 1 90 90 LYS HE3 H 1 2.89 0.020 . 1 . . . . 90 LYS HE3 . 25689 1 1027 . 1 1 90 90 LYS C C 13 178.812 0.3 . 1 . . . . 90 LYS C . 25689 1 1028 . 1 1 90 90 LYS CA C 13 60.081 0.3 . 1 . . . . 90 LYS CA . 25689 1 1029 . 1 1 90 90 LYS CB C 13 31.566 0.3 . 1 . . . . 90 LYS CB . 25689 1 1030 . 1 1 90 90 LYS CG C 13 27.222 0.3 . 1 . . . . 90 LYS CG . 25689 1 1031 . 1 1 90 90 LYS CD C 13 29.620 0.3 . 1 . . . . 90 LYS CD . 25689 1 1032 . 1 1 90 90 LYS CE C 13 42.016 0.3 . 1 . . . . 90 LYS CE . 25689 1 1033 . 1 1 90 90 LYS N N 15 121.881 0.3 . 1 . . . . 90 LYS N . 25689 1 1034 . 1 1 91 91 ARG H H 1 7.021 0.020 . 1 . . . . 91 ARG H . 25689 1 1035 . 1 1 91 91 ARG HA H 1 3.962 0.020 . 1 . . . . 91 ARG HA . 25689 1 1036 . 1 1 91 91 ARG HB2 H 1 1.812 0.020 . 2 . . . . 91 ARG HB2 . 25689 1 1037 . 1 1 91 91 ARG HB3 H 1 1.686 0.020 . 2 . . . . 91 ARG HB3 . 25689 1 1038 . 1 1 91 91 ARG HG2 H 1 1.523 0.020 . 1 . . . . 91 ARG HG2 . 25689 1 1039 . 1 1 91 91 ARG HG3 H 1 1.523 0.020 . 1 . . . . 91 ARG HG3 . 25689 1 1040 . 1 1 91 91 ARG HD2 H 1 3.127 0.020 . 1 . . . . 91 ARG HD2 . 25689 1 1041 . 1 1 91 91 ARG HD3 H 1 3.127 0.020 . 1 . . . . 91 ARG HD3 . 25689 1 1042 . 1 1 91 91 ARG C C 13 177.917 0.3 . 1 . . . . 91 ARG C . 25689 1 1043 . 1 1 91 91 ARG CA C 13 58.529 0.3 . 1 . . . . 91 ARG CA . 25689 1 1044 . 1 1 91 91 ARG CB C 13 29.348 0.3 . 1 . . . . 91 ARG CB . 25689 1 1045 . 1 1 91 91 ARG CG C 13 27.211 0.3 . 1 . . . . 91 ARG CG . 25689 1 1046 . 1 1 91 91 ARG CD C 13 42.717 0.3 . 1 . . . . 91 ARG CD . 25689 1 1047 . 1 1 91 91 ARG N N 15 117.587 0.3 . 1 . . . . 91 ARG N . 25689 1 1048 . 1 1 92 92 ALA H H 1 7.807 0.020 . 1 . . . . 92 ALA H . 25689 1 1049 . 1 1 92 92 ALA HA H 1 3.917 0.020 . 1 . . . . 92 ALA HA . 25689 1 1050 . 1 1 92 92 ALA HB1 H 1 1.357 0.020 . 1 . . . . 92 ALA HB . 25689 1 1051 . 1 1 92 92 ALA HB2 H 1 1.357 0.020 . 1 . . . . 92 ALA HB . 25689 1 1052 . 1 1 92 92 ALA HB3 H 1 1.357 0.020 . 1 . . . . 92 ALA HB . 25689 1 1053 . 1 1 92 92 ALA C C 13 180.221 0.3 . 1 . . . . 92 ALA C . 25689 1 1054 . 1 1 92 92 ALA CA C 13 54.574 0.3 . 1 . . . . 92 ALA CA . 25689 1 1055 . 1 1 92 92 ALA CB C 13 18.803 0.3 . 1 . . . . 92 ALA CB . 25689 1 1056 . 1 1 92 92 ALA N N 15 122.547 0.3 . 1 . . . . 92 ALA N . 25689 1 1057 . 1 1 93 93 VAL H H 1 8.442 0.020 . 1 . . . . 93 VAL H . 25689 1 1058 . 1 1 93 93 VAL HA H 1 3.493 0.020 . 1 . . . . 93 VAL HA . 25689 1 1059 . 1 1 93 93 VAL HB H 1 1.993 0.020 . 1 . . . . 93 VAL HB . 25689 1 1060 . 1 1 93 93 VAL HG11 H 1 0.946 0.020 . 2 . . . . 93 VAL HG1 . 25689 1 1061 . 1 1 93 93 VAL HG12 H 1 0.946 0.020 . 2 . . . . 93 VAL HG1 . 25689 1 1062 . 1 1 93 93 VAL HG13 H 1 0.946 0.020 . 2 . . . . 93 VAL HG1 . 25689 1 1063 . 1 1 93 93 VAL HG21 H 1 0.924 0.020 . 2 . . . . 93 VAL HG2 . 25689 1 1064 . 1 1 93 93 VAL HG22 H 1 0.924 0.020 . 2 . . . . 93 VAL HG2 . 25689 1 1065 . 1 1 93 93 VAL HG23 H 1 0.924 0.020 . 2 . . . . 93 VAL HG2 . 25689 1 1066 . 1 1 93 93 VAL C C 13 177.484 0.3 . 1 . . . . 93 VAL C . 25689 1 1067 . 1 1 93 93 VAL CA C 13 65.559 0.3 . 1 . . . . 93 VAL CA . 25689 1 1068 . 1 1 93 93 VAL CB C 13 30.819 0.3 . 1 . . . . 93 VAL CB . 25689 1 1069 . 1 1 93 93 VAL CG1 C 13 23.455 0.3 . 1 . . . . 93 VAL CG1 . 25689 1 1070 . 1 1 93 93 VAL CG2 C 13 22.512 0.3 . 1 . . . . 93 VAL CG2 . 25689 1 1071 . 1 1 93 93 VAL N N 15 116.704 0.3 . 1 . . . . 93 VAL N . 25689 1 1072 . 1 1 94 94 ALA H H 1 7.163 0.020 . 1 . . . . 94 ALA H . 25689 1 1073 . 1 1 94 94 ALA HA H 1 4.041 0.020 . 1 . . . . 94 ALA HA . 25689 1 1074 . 1 1 94 94 ALA HB1 H 1 1.430 0.020 . 1 . . . . 94 ALA HB . 25689 1 1075 . 1 1 94 94 ALA HB2 H 1 1.430 0.020 . 1 . . . . 94 ALA HB . 25689 1 1076 . 1 1 94 94 ALA HB3 H 1 1.430 0.020 . 1 . . . . 94 ALA HB . 25689 1 1077 . 1 1 94 94 ALA C C 13 177.809 0.3 . 1 . . . . 94 ALA C . 25689 1 1078 . 1 1 94 94 ALA CA C 13 53.270 0.3 . 1 . . . . 94 ALA CA . 25689 1 1079 . 1 1 94 94 ALA CB C 13 17.510 0.3 . 1 . . . . 94 ALA CB . 25689 1 1080 . 1 1 94 94 ALA N N 15 120.287 0.3 . 1 . . . . 94 ALA N . 25689 1 1081 . 1 1 95 95 GLN H H 1 7.211 0.020 . 1 . . . . 95 GLN H . 25689 1 1082 . 1 1 95 95 GLN HA H 1 4.093 0.020 . 1 . . . . 95 GLN HA . 25689 1 1083 . 1 1 95 95 GLN HB2 H 1 1.901 0.020 . 1 . . . . 95 GLN HB2 . 25689 1 1084 . 1 1 95 95 GLN HB3 H 1 1.901 0.020 . 1 . . . . 95 GLN HB3 . 25689 1 1085 . 1 1 95 95 GLN HG2 H 1 2.367 0.020 . 2 . . . . 95 GLN HG2 . 25689 1 1086 . 1 1 95 95 GLN HG3 H 1 2.116 0.020 . 2 . . . . 95 GLN HG3 . 25689 1 1087 . 1 1 95 95 GLN HE21 H 1 7.319 0.020 . 1 . . . . 95 GLN HE21 . 25689 1 1088 . 1 1 95 95 GLN HE22 H 1 7.035 0.020 . 1 . . . . 95 GLN HE22 . 25689 1 1089 . 1 1 95 95 GLN C C 13 175.993 0.3 . 1 . . . . 95 GLN C . 25689 1 1090 . 1 1 95 95 GLN CA C 13 55.096 0.3 . 1 . . . . 95 GLN CA . 25689 1 1091 . 1 1 95 95 GLN CB C 13 29.021 0.3 . 1 . . . . 95 GLN CB . 25689 1 1092 . 1 1 95 95 GLN CG C 13 33.507 0.3 . 1 . . . . 95 GLN CG . 25689 1 1093 . 1 1 95 95 GLN N N 15 114.309 0.3 . 1 . . . . 95 GLN N . 25689 1 1094 . 1 1 95 95 GLN NE2 N 15 115.168 0.3 . 1 . . . . 95 GLN NE2 . 25689 1 1095 . 1 1 96 96 VAL H H 1 7.265 0.020 . 1 . . . . 96 VAL H . 25689 1 1096 . 1 1 96 96 VAL HA H 1 3.440 0.020 . 1 . . . . 96 VAL HA . 25689 1 1097 . 1 1 96 96 VAL HB H 1 1.716 0.020 . 1 . . . . 96 VAL HB . 25689 1 1098 . 1 1 96 96 VAL HG11 H 1 0.582 0.020 . 2 . . . . 96 VAL HG1 . 25689 1 1099 . 1 1 96 96 VAL HG12 H 1 0.582 0.020 . 2 . . . . 96 VAL HG1 . 25689 1 1100 . 1 1 96 96 VAL HG13 H 1 0.582 0.020 . 2 . . . . 96 VAL HG1 . 25689 1 1101 . 1 1 96 96 VAL HG21 H 1 -0.353 0.020 . 2 . . . . 96 VAL HG2 . 25689 1 1102 . 1 1 96 96 VAL HG22 H 1 -0.353 0.020 . 2 . . . . 96 VAL HG2 . 25689 1 1103 . 1 1 96 96 VAL HG23 H 1 -0.353 0.020 . 2 . . . . 96 VAL HG2 . 25689 1 1104 . 1 1 96 96 VAL C C 13 175.993 0.3 . 1 . . . . 96 VAL C . 25689 1 1105 . 1 1 96 96 VAL CA C 13 62.435 0.3 . 1 . . . . 96 VAL CA . 25689 1 1106 . 1 1 96 96 VAL CB C 13 30.685 0.3 . 1 . . . . 96 VAL CB . 25689 1 1107 . 1 1 96 96 VAL CG1 C 13 20.350 0.3 . 1 . . . . 96 VAL CG1 . 25689 1 1108 . 1 1 96 96 VAL CG2 C 13 20.350 0.3 . 1 . . . . 96 VAL CG2 . 25689 1 1109 . 1 1 96 96 VAL N N 15 121.754 0.3 . 1 . . . . 96 VAL N . 25689 1 1110 . 1 1 97 97 ASN C C 13 175.132 0.3 . 1 . . . . 97 ASN C . 25689 1 1111 . 1 1 97 97 ASN CA C 13 55.994 0.3 . 1 . . . . 97 ASN CA . 25689 1 1112 . 1 1 97 97 ASN CB C 13 38.155 0.3 . 1 . . . . 97 ASN CB . 25689 1 1113 . 1 1 98 98 SER H H 1 7.161 0.020 . 1 . . . . 98 SER H . 25689 1 1114 . 1 1 98 98 SER HA H 1 4.471 0.020 . 1 . . . . 98 SER HA . 25689 1 1115 . 1 1 98 98 SER HB2 H 1 3.449 0.020 . 1 . . . . 98 SER HB2 . 25689 1 1116 . 1 1 98 98 SER HB3 H 1 3.449 0.020 . 1 . . . . 98 SER HB3 . 25689 1 1117 . 1 1 98 98 SER CA C 13 56.650 0.3 . 1 . . . . 98 SER CA . 25689 1 1118 . 1 1 98 98 SER CB C 13 63.545 0.3 . 1 . . . . 98 SER CB . 25689 1 1119 . 1 1 98 98 SER N N 15 111.162 0.3 . 1 . . . . 98 SER N . 25689 1 1120 . 1 1 99 99 PHE H H 1 9.204 0.020 . 1 . . . . 99 PHE H . 25689 1 1121 . 1 1 99 99 PHE HA H 1 4.417 0.020 . 1 . . . . 99 PHE HA . 25689 1 1122 . 1 1 99 99 PHE HB2 H 1 2.296 0.020 . 2 . . . . 99 PHE HB2 . 25689 1 1123 . 1 1 99 99 PHE HB3 H 1 2.188 0.020 . 2 . . . . 99 PHE HB3 . 25689 1 1124 . 1 1 99 99 PHE HD1 H 1 6.507 0.020 . 1 . . . . 99 PHE HD1 . 25689 1 1125 . 1 1 99 99 PHE HD2 H 1 6.507 0.020 . 1 . . . . 99 PHE HD2 . 25689 1 1126 . 1 1 99 99 PHE HE1 H 1 6.834 0.020 . 1 . . . . 99 PHE HE1 . 25689 1 1127 . 1 1 99 99 PHE HE2 H 1 6.834 0.020 . 1 . . . . 99 PHE HE2 . 25689 1 1128 . 1 1 99 99 PHE HZ H 1 7.161 0.020 . 1 . . . . 99 PHE HZ . 25689 1 1129 . 1 1 99 99 PHE C C 13 173.473 0.3 . 1 . . . . 99 PHE C . 25689 1 1130 . 1 1 99 99 PHE CA C 13 54.508 0.3 . 1 . . . . 99 PHE CA . 25689 1 1131 . 1 1 99 99 PHE CB C 13 38.355 0.3 . 1 . . . . 99 PHE CB . 25689 1 1132 . 1 1 99 99 PHE CD1 C 13 131.973 0.3 . 1 . . . . 99 PHE CD1 . 25689 1 1133 . 1 1 99 99 PHE CD2 C 13 131.973 0.3 . 1 . . . . 99 PHE CD2 . 25689 1 1134 . 1 1 99 99 PHE CE1 C 13 129.930 0.3 . 1 . . . . 99 PHE CE1 . 25689 1 1135 . 1 1 99 99 PHE CE2 C 13 129.930 0.3 . 1 . . . . 99 PHE CE2 . 25689 1 1136 . 1 1 99 99 PHE CZ C 13 131.310 0.3 . 1 . . . . 99 PHE CZ . 25689 1 1137 . 1 1 99 99 PHE N N 15 125.068 0.3 . 1 . . . . 99 PHE N . 25689 1 1138 . 1 1 100 100 PRO HA H 1 4.583 0.020 . 1 . . . . 100 PRO HA . 25689 1 1139 . 1 1 100 100 PRO HB2 H 1 2.381 0.020 . 2 . . . . 100 PRO HB2 . 25689 1 1140 . 1 1 100 100 PRO HB3 H 1 2.214 0.020 . 2 . . . . 100 PRO HB3 . 25689 1 1141 . 1 1 100 100 PRO HG2 H 1 2.086 0.020 . 2 . . . . 100 PRO HG2 . 25689 1 1142 . 1 1 100 100 PRO HG3 H 1 1.893 0.020 . 2 . . . . 100 PRO HG3 . 25689 1 1143 . 1 1 100 100 PRO C C 13 174.966 0.3 . 1 . . . . 100 PRO C . 25689 1 1144 . 1 1 100 100 PRO CA C 13 62.919 0.3 . 1 . . . . 100 PRO CA . 25689 1 1145 . 1 1 100 100 PRO CB C 13 30.833 0.3 . 1 . . . . 100 PRO CB . 25689 1 1146 . 1 1 100 100 PRO N N 15 133.715 0.3 . 1 . . . . 100 PRO N . 25689 1 1147 . 1 1 101 101 LEU H H 1 8.146 0.020 . 1 . . . . 101 LEU H . 25689 1 1148 . 1 1 101 101 LEU HA H 1 4.443 0.020 . 1 . . . . 101 LEU HA . 25689 1 1149 . 1 1 101 101 LEU HB2 H 1 1.337 0.020 . 1 . . . . 101 LEU HB2 . 25689 1 1150 . 1 1 101 101 LEU HB3 H 1 1.337 0.020 . 1 . . . . 101 LEU HB3 . 25689 1 1151 . 1 1 101 101 LEU HG H 1 1.086 0.020 . 1 . . . . 101 LEU HG . 25689 1 1152 . 1 1 101 101 LEU HD11 H 1 0.677 0.020 . 1 . . . . 101 LEU HD1 . 25689 1 1153 . 1 1 101 101 LEU HD12 H 1 0.677 0.020 . 1 . . . . 101 LEU HD1 . 25689 1 1154 . 1 1 101 101 LEU HD13 H 1 0.677 0.020 . 1 . . . . 101 LEU HD1 . 25689 1 1155 . 1 1 101 101 LEU HD21 H 1 0.677 0.020 . 1 . . . . 101 LEU HD2 . 25689 1 1156 . 1 1 101 101 LEU HD22 H 1 0.677 0.020 . 1 . . . . 101 LEU HD2 . 25689 1 1157 . 1 1 101 101 LEU HD23 H 1 0.677 0.020 . 1 . . . . 101 LEU HD2 . 25689 1 1158 . 1 1 101 101 LEU C C 13 174.368 0.3 . 1 . . . . 101 LEU C . 25689 1 1159 . 1 1 101 101 LEU CA C 13 50.426 0.3 . 1 . . . . 101 LEU CA . 25689 1 1160 . 1 1 101 101 LEU CB C 13 44.960 0.3 . 1 . . . . 101 LEU CB . 25689 1 1161 . 1 1 101 101 LEU CG C 13 25.605 0.3 . 1 . . . . 101 LEU CG . 25689 1 1162 . 1 1 101 101 LEU N N 15 118.558 0.3 . 1 . . . . 101 LEU N . 25689 1 1163 . 1 1 102 102 PRO HA H 1 4.481 0.020 . 1 . . . . 102 PRO HA . 25689 1 1164 . 1 1 102 102 PRO HB2 H 1 2.163 0.020 . 1 . . . . 102 PRO HB2 . 25689 1 1165 . 1 1 102 102 PRO HB3 H 1 2.163 0.020 . 1 . . . . 102 PRO HB3 . 25689 1 1166 . 1 1 102 102 PRO HG2 H 1 1.637 0.020 . 1 . . . . 102 PRO HG2 . 25689 1 1167 . 1 1 102 102 PRO HG3 H 1 1.637 0.020 . 1 . . . . 102 PRO HG3 . 25689 1 1168 . 1 1 102 102 PRO HD2 H 1 3.753 0.020 . 1 . . . . 102 PRO HD2 . 25689 1 1169 . 1 1 102 102 PRO HD3 H 1 3.753 0.020 . 1 . . . . 102 PRO HD3 . 25689 1 1170 . 1 1 102 102 PRO C C 13 175.936 0.3 . 1 . . . . 102 PRO C . 25689 1 1171 . 1 1 102 102 PRO CA C 13 61.247 0.3 . 1 . . . . 102 PRO CA . 25689 1 1172 . 1 1 102 102 PRO CB C 13 30.997 0.3 . 1 . . . . 102 PRO CB . 25689 1 1173 . 1 1 102 102 PRO N N 15 133.309 0.3 . 1 . . . . 102 PRO N . 25689 1 1174 . 1 1 103 103 LYS H H 1 8.393 0.020 . 1 . . . . 103 LYS H . 25689 1 1175 . 1 1 103 103 LYS HA H 1 4.093 0.020 . 1 . . . . 103 LYS HA . 25689 1 1176 . 1 1 103 103 LYS HB2 H 1 1.632 0.020 . 1 . . . . 103 LYS HB2 . 25689 1 1177 . 1 1 103 103 LYS HB3 H 1 1.632 0.020 . 1 . . . . 103 LYS HB3 . 25689 1 1178 . 1 1 103 103 LYS HG2 H 1 1.308 0.020 . 1 . . . . 103 LYS HG2 . 25689 1 1179 . 1 1 103 103 LYS HG3 H 1 1.308 0.020 . 1 . . . . 103 LYS HG3 . 25689 1 1180 . 1 1 103 103 LYS HD2 H 1 1.869 0.020 . 1 . . . . 103 LYS HD2 . 25689 1 1181 . 1 1 103 103 LYS HD3 H 1 1.869 0.020 . 1 . . . . 103 LYS HD3 . 25689 1 1182 . 1 1 103 103 LYS HE2 H 1 2.827 0.020 . 1 . . . . 103 LYS HE2 . 25689 1 1183 . 1 1 103 103 LYS HE3 H 1 2.827 0.020 . 1 . . . . 103 LYS HE3 . 25689 1 1184 . 1 1 103 103 LYS C C 13 176.048 0.3 . 1 . . . . 103 LYS C . 25689 1 1185 . 1 1 103 103 LYS CA C 13 55.725 0.3 . 1 . . . . 103 LYS CA . 25689 1 1186 . 1 1 103 103 LYS CB C 13 32.649 0.3 . 1 . . . . 103 LYS CB . 25689 1 1187 . 1 1 103 103 LYS CG C 13 24.015 0.3 . 1 . . . . 103 LYS CG . 25689 1 1188 . 1 1 103 103 LYS CD C 13 28.620 0.3 . 1 . . . . 103 LYS CD . 25689 1 1189 . 1 1 103 103 LYS CE C 13 42.717 0.3 . 1 . . . . 103 LYS CE . 25689 1 1190 . 1 1 103 103 LYS N N 15 122.383 0.3 . 1 . . . . 103 LYS N . 25689 1 1191 . 1 1 104 104 ASP H H 1 8.606 0.020 . 1 . . . . 104 ASP H . 25689 1 1192 . 1 1 104 104 ASP HA H 1 4.294 0.020 . 1 . . . . 104 ASP HA . 25689 1 1193 . 1 1 104 104 ASP HB2 H 1 2.680 0.020 . 1 . . . . 104 ASP HB2 . 25689 1 1194 . 1 1 104 104 ASP HB3 H 1 2.680 0.020 . 1 . . . . 104 ASP HB3 . 25689 1 1195 . 1 1 104 104 ASP C C 13 174.882 0.3 . 1 . . . . 104 ASP C . 25689 1 1196 . 1 1 104 104 ASP CA C 13 53.952 0.3 . 1 . . . . 104 ASP CA . 25689 1 1197 . 1 1 104 104 ASP CB C 13 39.238 0.3 . 1 . . . . 104 ASP CB . 25689 1 1198 . 1 1 104 104 ASP N N 15 120.433 0.3 . 1 . . . . 104 ASP N . 25689 1 1199 . 1 1 105 105 GLN H H 1 8.178 0.020 . 1 . . . . 105 GLN H . 25689 1 1200 . 1 1 105 105 GLN HA H 1 4.869 0.020 . 1 . . . . 105 GLN HA . 25689 1 1201 . 1 1 105 105 GLN HB2 H 1 1.917 0.020 . 2 . . . . 105 GLN HB2 . 25689 1 1202 . 1 1 105 105 GLN HB3 H 1 1.618 0.020 . 2 . . . . 105 GLN HB3 . 25689 1 1203 . 1 1 105 105 GLN HG2 H 1 2.410 0.020 . 2 . . . . 105 GLN HG2 . 25689 1 1204 . 1 1 105 105 GLN HG3 H 1 2.355 0.020 . 2 . . . . 105 GLN HG3 . 25689 1 1205 . 1 1 105 105 GLN HE21 H 1 7.296 0.020 . 1 . . . . 105 GLN HE21 . 25689 1 1206 . 1 1 105 105 GLN HE22 H 1 6.817 0.020 . 1 . . . . 105 GLN HE22 . 25689 1 1207 . 1 1 105 105 GLN C C 13 173.473 0.3 . 1 . . . . 105 GLN C . 25689 1 1208 . 1 1 105 105 GLN CA C 13 51.990 0.3 . 1 . . . . 105 GLN CA . 25689 1 1209 . 1 1 105 105 GLN CB C 13 29.102 0.3 . 1 . . . . 105 GLN CB . 25689 1 1210 . 1 1 105 105 GLN CG C 13 31.628 0.3 . 1 . . . . 105 GLN CG . 25689 1 1211 . 1 1 105 105 GLN N N 15 115.641 0.3 . 1 . . . . 105 GLN N . 25689 1 1212 . 1 1 105 105 GLN NE2 N 15 109.992 0.3 . 1 . . . . 105 GLN NE2 . 25689 1 1213 . 1 1 106 106 PRO HA H 1 4.060 0.020 . 1 . . . . 106 PRO HA . 25689 1 1214 . 1 1 106 106 PRO HB2 H 1 2.201 0.020 . 1 . . . . 106 PRO HB2 . 25689 1 1215 . 1 1 106 106 PRO HB3 H 1 2.201 0.020 . 1 . . . . 106 PRO HB3 . 25689 1 1216 . 1 1 106 106 PRO HG2 H 1 1.893 0.020 . 1 . . . . 106 PRO HG2 . 25689 1 1217 . 1 1 106 106 PRO HG3 H 1 1.893 0.020 . 1 . . . . 106 PRO HG3 . 25689 1 1218 . 1 1 106 106 PRO HD2 H 1 3.643 0.020 . 1 . . . . 106 PRO HD2 . 25689 1 1219 . 1 1 106 106 PRO HD3 H 1 3.643 0.020 . 1 . . . . 106 PRO HD3 . 25689 1 1220 . 1 1 106 106 PRO CA C 13 64.817 0.3 . 1 . . . . 106 PRO CA . 25689 1 1221 . 1 1 106 106 PRO CB C 13 31.079 0.3 . 1 . . . . 106 PRO CB . 25689 1 1222 . 1 1 106 106 PRO N N 15 133.626 0.3 . 1 . . . . 106 PRO N . 25689 1 1223 . 1 1 107 107 ASP H H 1 8.670 0.020 . 1 . . . . 107 ASP H . 25689 1 1224 . 1 1 107 107 ASP HA H 1 4.245 0.020 . 1 . . . . 107 ASP HA . 25689 1 1225 . 1 1 107 107 ASP HB2 H 1 2.642 0.020 . 2 . . . . 107 ASP HB2 . 25689 1 1226 . 1 1 107 107 ASP HB3 H 1 2.533 0.020 . 2 . . . . 107 ASP HB3 . 25689 1 1227 . 1 1 107 107 ASP C C 13 178.270 0.3 . 1 . . . . 107 ASP C . 25689 1 1228 . 1 1 107 107 ASP CA C 13 55.341 0.3 . 1 . . . . 107 ASP CA . 25689 1 1229 . 1 1 107 107 ASP CB C 13 38.094 0.3 . 1 . . . . 107 ASP CB . 25689 1 1230 . 1 1 107 107 ASP N N 15 116.666 0.3 . 1 . . . . 107 ASP N . 25689 1 1231 . 1 1 108 108 VAL H H 1 7.379 0.020 . 1 . . . . 108 VAL H . 25689 1 1232 . 1 1 108 108 VAL HA H 1 3.466 0.020 . 1 . . . . 108 VAL HA . 25689 1 1233 . 1 1 108 108 VAL HB H 1 2.136 0.020 . 1 . . . . 108 VAL HB . 25689 1 1234 . 1 1 108 108 VAL HG11 H 1 0.946 0.020 . 2 . . . . 108 VAL HG1 . 25689 1 1235 . 1 1 108 108 VAL HG12 H 1 0.946 0.020 . 2 . . . . 108 VAL HG1 . 25689 1 1236 . 1 1 108 108 VAL HG13 H 1 0.946 0.020 . 2 . . . . 108 VAL HG1 . 25689 1 1237 . 1 1 108 108 VAL HG21 H 1 0.625 0.020 . 2 . . . . 108 VAL HG2 . 25689 1 1238 . 1 1 108 108 VAL HG22 H 1 0.625 0.020 . 2 . . . . 108 VAL HG2 . 25689 1 1239 . 1 1 108 108 VAL HG23 H 1 0.625 0.020 . 2 . . . . 108 VAL HG2 . 25689 1 1240 . 1 1 108 108 VAL C C 13 177.511 0.3 . 1 . . . . 108 VAL C . 25689 1 1241 . 1 1 108 108 VAL CA C 13 64.890 0.3 . 1 . . . . 108 VAL CA . 25689 1 1242 . 1 1 108 108 VAL CB C 13 31.339 0.3 . 1 . . . . 108 VAL CB . 25689 1 1243 . 1 1 108 108 VAL CG1 C 13 22.794 0.3 . 1 . . . . 108 VAL CG1 . 25689 1 1244 . 1 1 108 108 VAL CG2 C 13 20.914 0.3 . 1 . . . . 108 VAL CG2 . 25689 1 1245 . 1 1 108 108 VAL N N 15 121.792 0.3 . 1 . . . . 108 VAL N . 25689 1 1246 . 1 1 109 109 VAL H H 1 7.651 0.020 . 1 . . . . 109 VAL H . 25689 1 1247 . 1 1 109 109 VAL HA H 1 4.493 0.020 . 1 . . . . 109 VAL HA . 25689 1 1248 . 1 1 109 109 VAL HB H 1 2.148 0.020 . 1 . . . . 109 VAL HB . 25689 1 1249 . 1 1 109 109 VAL HG11 H 1 0.927 0.020 . 2 . . . . 109 VAL HG1 . 25689 1 1250 . 1 1 109 109 VAL HG12 H 1 0.927 0.020 . 2 . . . . 109 VAL HG1 . 25689 1 1251 . 1 1 109 109 VAL HG13 H 1 0.927 0.020 . 2 . . . . 109 VAL HG1 . 25689 1 1252 . 1 1 109 109 VAL HG21 H 1 0.621 0.020 . 2 . . . . 109 VAL HG2 . 25689 1 1253 . 1 1 109 109 VAL HG22 H 1 0.621 0.020 . 2 . . . . 109 VAL HG2 . 25689 1 1254 . 1 1 109 109 VAL HG23 H 1 0.621 0.020 . 2 . . . . 109 VAL HG2 . 25689 1 1255 . 1 1 109 109 VAL C C 13 176.698 0.3 . 1 . . . . 109 VAL C . 25689 1 1256 . 1 1 109 109 VAL CA C 13 67.345 0.3 . 1 . . . . 109 VAL CA . 25689 1 1257 . 1 1 109 109 VAL CB C 13 30.930 0.3 . 1 . . . . 109 VAL CB . 25689 1 1258 . 1 1 109 109 VAL CG1 C 13 22.8 0.3 . 1 . . . . 109 VAL CG1 . 25689 1 1259 . 1 1 109 109 VAL N N 15 118.950 0.3 . 1 . . . . 109 VAL N . 25689 1 1260 . 1 1 110 110 GLU H H 1 7.571 0.020 . 1 . . . . 110 GLU H . 25689 1 1261 . 1 1 110 110 GLU HA H 1 3.772 0.020 . 1 . . . . 110 GLU HA . 25689 1 1262 . 1 1 110 110 GLU HB2 H 1 1.960 0.020 . 2 . . . . 110 GLU HB2 . 25689 1 1263 . 1 1 110 110 GLU HB3 H 1 1.865 0.020 . 2 . . . . 110 GLU HB3 . 25689 1 1264 . 1 1 110 110 GLU HG2 H 1 2.256 0.020 . 2 . . . . 110 GLU HG2 . 25689 1 1265 . 1 1 110 110 GLU HG3 H 1 2.151 0.020 . 2 . . . . 110 GLU HG3 . 25689 1 1266 . 1 1 110 110 GLU C C 13 178.514 0.3 . 1 . . . . 110 GLU C . 25689 1 1267 . 1 1 110 110 GLU CA C 13 58.529 0.3 . 1 . . . . 110 GLU CA . 25689 1 1268 . 1 1 110 110 GLU CB C 13 29.021 0.3 . 1 . . . . 110 GLU CB . 25689 1 1269 . 1 1 110 110 GLU CG C 13 34.879 0.3 . 1 . . . . 110 GLU CG . 25689 1 1270 . 1 1 110 110 GLU N N 15 114.978 0.3 . 1 . . . . 110 GLU N . 25689 1 1271 . 1 1 111 111 LYS H H 1 6.863 0.020 . 1 . . . . 111 LYS H . 25689 1 1272 . 1 1 111 111 LYS HA H 1 4.106 0.020 . 1 . . . . 111 LYS HA . 25689 1 1273 . 1 1 111 111 LYS HB2 H 1 1.993 0.020 . 2 . . . . 111 LYS HB2 . 25689 1 1274 . 1 1 111 111 LYS HB3 H 1 1.902 0.020 . 2 . . . . 111 LYS HB3 . 25689 1 1275 . 1 1 111 111 LYS HG2 H 1 1.509 0.020 . 2 . . . . 111 LYS HG2 . 25689 1 1276 . 1 1 111 111 LYS HG3 H 1 1.374 0.020 . 2 . . . . 111 LYS HG3 . 25689 1 1277 . 1 1 111 111 LYS HD2 H 1 1.811 0.020 . 2 . . . . 111 LYS HD2 . 25689 1 1278 . 1 1 111 111 LYS HD3 H 1 1.750 0.020 . 2 . . . . 111 LYS HD3 . 25689 1 1279 . 1 1 111 111 LYS HE2 H 1 2.883 0.020 . 1 . . . . 111 LYS HE2 . 25689 1 1280 . 1 1 111 111 LYS HE3 H 1 2.883 0.020 . 1 . . . . 111 LYS HE3 . 25689 1 1281 . 1 1 111 111 LYS C C 13 177.619 0.3 . 1 . . . . 111 LYS C . 25689 1 1282 . 1 1 111 111 LYS CA C 13 56.322 0.3 . 1 . . . . 111 LYS CA . 25689 1 1283 . 1 1 111 111 LYS CB C 13 32.533 0.3 . 1 . . . . 111 LYS CB . 25689 1 1284 . 1 1 111 111 LYS CG C 13 28.471 0.3 . 1 . . . . 111 LYS CG . 25689 1 1285 . 1 1 111 111 LYS CD C 13 29.870 0.3 . 1 . . . . 111 LYS CD . 25689 1 1286 . 1 1 111 111 LYS CE C 13 43.031 0.3 . 1 . . . . 111 LYS CE . 25689 1 1287 . 1 1 111 111 LYS N N 15 115.852 0.3 . 1 . . . . 111 LYS N . 25689 1 1288 . 1 1 112 112 LEU H H 1 7.607 0.020 . 1 . . . . 112 LEU H . 25689 1 1289 . 1 1 112 112 LEU HA H 1 3.980 0.020 . 1 . . . . 112 LEU HA . 25689 1 1290 . 1 1 112 112 LEU HB2 H 1 1.613 0.020 . 2 . . . . 112 LEU HB2 . 25689 1 1291 . 1 1 112 112 LEU HB3 H 1 1.505 0.020 . 2 . . . . 112 LEU HB3 . 25689 1 1292 . 1 1 112 112 LEU HG H 1 0.919 0.020 . 1 . . . . 112 LEU HG . 25689 1 1293 . 1 1 112 112 LEU HD11 H 1 0.756 0.020 . 2 . . . . 112 LEU HD1 . 25689 1 1294 . 1 1 112 112 LEU HD12 H 1 0.756 0.020 . 2 . . . . 112 LEU HD1 . 25689 1 1295 . 1 1 112 112 LEU HD13 H 1 0.756 0.020 . 2 . . . . 112 LEU HD1 . 25689 1 1296 . 1 1 112 112 LEU HD21 H 1 0.300 0.020 . 2 . . . . 112 LEU HD2 . 25689 1 1297 . 1 1 112 112 LEU HD22 H 1 0.300 0.020 . 2 . . . . 112 LEU HD2 . 25689 1 1298 . 1 1 112 112 LEU HD23 H 1 0.300 0.020 . 2 . . . . 112 LEU HD2 . 25689 1 1299 . 1 1 112 112 LEU C C 13 174.503 0.3 . 1 . . . . 112 LEU C . 25689 1 1300 . 1 1 112 112 LEU CA C 13 55.224 0.3 . 1 . . . . 112 LEU CA . 25689 1 1301 . 1 1 112 112 LEU CB C 13 40.831 0.3 . 1 . . . . 112 LEU CB . 25689 1 1302 . 1 1 112 112 LEU CD1 C 13 24.090 0.3 . 1 . . . . 112 LEU CD1 . 25689 1 1303 . 1 1 112 112 LEU CD2 C 13 26.118 0.3 . 1 . . . . 112 LEU CD2 . 25689 1 1304 . 1 1 112 112 LEU N N 15 119.654 0.3 . 1 . . . . 112 LEU N . 25689 1 1305 . 1 1 113 113 LYS H H 1 6.926 0.020 . 1 . . . . 113 LYS H . 25689 1 1306 . 1 1 113 113 LYS HA H 1 3.866 0.020 . 1 . . . . 113 LYS HA . 25689 1 1307 . 1 1 113 113 LYS HB2 H 1 1.568 0.020 . 1 . . . . 113 LYS HB2 . 25689 1 1308 . 1 1 113 113 LYS HB3 H 1 1.568 0.020 . 1 . . . . 113 LYS HB3 . 25689 1 1309 . 1 1 113 113 LYS HG2 H 1 1.439 0.020 . 1 . . . . 113 LYS HG2 . 25689 1 1310 . 1 1 113 113 LYS HG3 H 1 1.439 0.020 . 1 . . . . 113 LYS HG3 . 25689 1 1311 . 1 1 113 113 LYS HD2 H 1 1.522 0.020 . 1 . . . . 113 LYS HD2 . 25689 1 1312 . 1 1 113 113 LYS HD3 H 1 1.522 0.020 . 1 . . . . 113 LYS HD3 . 25689 1 1313 . 1 1 113 113 LYS HE2 H 1 2.782 0.020 . 1 . . . . 113 LYS HE2 . 25689 1 1314 . 1 1 113 113 LYS HE3 H 1 2.782 0.020 . 1 . . . . 113 LYS HE3 . 25689 1 1315 . 1 1 113 113 LYS C C 13 176.427 0.3 . 1 . . . . 113 LYS C . 25689 1 1316 . 1 1 113 113 LYS CA C 13 57.712 0.3 . 1 . . . . 113 LYS CA . 25689 1 1317 . 1 1 113 113 LYS CB C 13 32.290 0.3 . 1 . . . . 113 LYS CB . 25689 1 1318 . 1 1 113 113 LYS CG C 13 24.297 0.3 . 1 . . . . 113 LYS CG . 25689 1 1319 . 1 1 113 113 LYS CD C 13 28.309 0.3 . 1 . . . . 113 LYS CD . 25689 1 1320 . 1 1 113 113 LYS CE C 13 41.213 0.3 . 1 . . . . 113 LYS CE . 25689 1 1321 . 1 1 113 113 LYS N N 15 109.916 0.3 . 1 . . . . 113 LYS N . 25689 1 1322 . 1 1 114 114 ASN H H 1 6.904 0.020 . 1 . . . . 114 ASN H . 25689 1 1323 . 1 1 114 114 ASN HA H 1 5.233 0.020 . 1 . . . . 114 ASN HA . 25689 1 1324 . 1 1 114 114 ASN HB2 H 1 2.751 0.020 . 2 . . . . 114 ASN HB2 . 25689 1 1325 . 1 1 114 114 ASN HB3 H 1 2.465 0.020 . 2 . . . . 114 ASN HB3 . 25689 1 1326 . 1 1 114 114 ASN HD21 H 1 7.430 0.020 . 1 . . . . 114 ASN HD21 . 25689 1 1327 . 1 1 114 114 ASN HD22 H 1 6.704 0.020 . 1 . . . . 114 ASN HD22 . 25689 1 1328 . 1 1 114 114 ASN C C 13 173.202 0.3 . 1 . . . . 114 ASN C . 25689 1 1329 . 1 1 114 114 ASN CA C 13 51.908 0.3 . 1 . . . . 114 ASN CA . 25689 1 1330 . 1 1 114 114 ASN CB C 13 38.503 0.3 . 1 . . . . 114 ASN CB . 25689 1 1331 . 1 1 114 114 ASN N N 15 117.901 0.3 . 1 . . . . 114 ASN N . 25689 1 1332 . 1 1 114 114 ASN ND2 N 15 111.171 0.3 . 1 . . . . 114 ASN ND2 . 25689 1 1333 . 1 1 115 115 ILE H H 1 8.687 0.020 . 1 . . . . 115 ILE H . 25689 1 1334 . 1 1 115 115 ILE HA H 1 4.611 0.020 . 1 . . . . 115 ILE HA . 25689 1 1335 . 1 1 115 115 ILE HB H 1 1.714 0.020 . 1 . . . . 115 ILE HB . 25689 1 1336 . 1 1 115 115 ILE HG12 H 1 1.443 0.020 . 2 . . . . 115 ILE HG12 . 25689 1 1337 . 1 1 115 115 ILE HG13 H 1 0.918 0.020 . 2 . . . . 115 ILE HG13 . 25689 1 1338 . 1 1 115 115 ILE HG21 H 1 0.858 0.020 . 1 . . . . 115 ILE HG2 . 25689 1 1339 . 1 1 115 115 ILE HG22 H 1 0.858 0.020 . 1 . . . . 115 ILE HG2 . 25689 1 1340 . 1 1 115 115 ILE HG23 H 1 0.858 0.020 . 1 . . . . 115 ILE HG2 . 25689 1 1341 . 1 1 115 115 ILE HD11 H 1 0.782 0.020 . 1 . . . . 115 ILE HD1 . 25689 1 1342 . 1 1 115 115 ILE HD12 H 1 0.782 0.020 . 1 . . . . 115 ILE HD1 . 25689 1 1343 . 1 1 115 115 ILE HD13 H 1 0.782 0.020 . 1 . . . . 115 ILE HD1 . 25689 1 1344 . 1 1 115 115 ILE C C 13 172.118 0.3 . 1 . . . . 115 ILE C . 25689 1 1345 . 1 1 115 115 ILE CA C 13 58.834 0.3 . 1 . . . . 115 ILE CA . 25689 1 1346 . 1 1 115 115 ILE CB C 13 41.896 0.3 . 1 . . . . 115 ILE CB . 25689 1 1347 . 1 1 115 115 ILE CG1 C 13 27.774 0.3 . 1 . . . . 115 ILE CG1 . 25689 1 1348 . 1 1 115 115 ILE CD1 C 13 15.127 0.3 . 1 . . . . 115 ILE CD1 . 25689 1 1349 . 1 1 115 115 ILE N N 15 122.679 0.3 . 1 . . . . 115 ILE N . 25689 1 1350 . 1 1 116 116 ASN H H 1 8.286 0.020 . 1 . . . . 116 ASN H . 25689 1 1351 . 1 1 116 116 ASN HA H 1 5.747 0.020 . 1 . . . . 116 ASN HA . 25689 1 1352 . 1 1 116 116 ASN HB2 H 1 2.611 0.020 . 2 . . . . 116 ASN HB2 . 25689 1 1353 . 1 1 116 116 ASN HB3 H 1 2.364 0.020 . 2 . . . . 116 ASN HB3 . 25689 1 1354 . 1 1 116 116 ASN C C 13 174.666 0.3 . 1 . . . . 116 ASN C . 25689 1 1355 . 1 1 116 116 ASN CA C 13 50.508 0.3 . 1 . . . . 116 ASN CA . 25689 1 1356 . 1 1 116 116 ASN CB C 13 38.314 0.3 . 1 . . . . 116 ASN CB . 25689 1 1357 . 1 1 116 116 ASN N N 15 124.934 0.3 . 1 . . . . 116 ASN N . 25689 1 1358 . 1 1 117 117 LEU H H 1 9.086 0.020 . 1 . . . . 117 LEU H . 25689 1 1359 . 1 1 117 117 LEU HA H 1 4.712 0.020 . 1 . . . . 117 LEU HA . 25689 1 1360 . 1 1 117 117 LEU HB2 H 1 1.274 0.020 . 1 . . . . 117 LEU HB2 . 25689 1 1361 . 1 1 117 117 LEU HB3 H 1 1.274 0.020 . 1 . . . . 117 LEU HB3 . 25689 1 1362 . 1 1 117 117 LEU HG H 1 1.221 0.020 . 1 . . . . 117 LEU HG . 25689 1 1363 . 1 1 117 117 LEU HD11 H 1 0.870 0.020 . 2 . . . . 117 LEU HD1 . 25689 1 1364 . 1 1 117 117 LEU HD12 H 1 0.870 0.020 . 2 . . . . 117 LEU HD1 . 25689 1 1365 . 1 1 117 117 LEU HD13 H 1 0.870 0.020 . 2 . . . . 117 LEU HD1 . 25689 1 1366 . 1 1 117 117 LEU HD21 H 1 0.708 0.020 . 2 . . . . 117 LEU HD2 . 25689 1 1367 . 1 1 117 117 LEU HD22 H 1 0.708 0.020 . 2 . . . . 117 LEU HD2 . 25689 1 1368 . 1 1 117 117 LEU HD23 H 1 0.708 0.020 . 2 . . . . 117 LEU HD2 . 25689 1 1369 . 1 1 117 117 LEU C C 13 175.668 0.3 . 1 . . . . 117 LEU C . 25689 1 1370 . 1 1 117 117 LEU CA C 13 52.779 0.3 . 1 . . . . 117 LEU CA . 25689 1 1371 . 1 1 117 117 LEU CB C 13 44.923 0.3 . 1 . . . . 117 LEU CB . 25689 1 1372 . 1 1 117 117 LEU CG C 13 26.929 0.3 . 1 . . . . 117 LEU CG . 25689 1 1373 . 1 1 117 117 LEU CD2 C 13 24.673 0.3 . 1 . . . . 117 LEU CD2 . 25689 1 1374 . 1 1 117 117 LEU N N 15 121.673 0.3 . 1 . . . . 117 LEU N . 25689 1 1375 . 1 1 118 118 THR H H 1 8.755 0.020 . 1 . . . . 118 THR H . 25689 1 1376 . 1 1 118 118 THR HA H 1 4.574 0.020 . 1 . . . . 118 THR HA . 25689 1 1377 . 1 1 118 118 THR HB H 1 3.821 0.020 . 1 . . . . 118 THR HB . 25689 1 1378 . 1 1 118 118 THR HG21 H 1 0.843 0.020 . 1 . . . . 118 THR HG2 . 25689 1 1379 . 1 1 118 118 THR HG22 H 1 0.843 0.020 . 1 . . . . 118 THR HG2 . 25689 1 1380 . 1 1 118 118 THR HG23 H 1 0.843 0.020 . 1 . . . . 118 THR HG2 . 25689 1 1381 . 1 1 118 118 THR C C 13 173.229 0.3 . 1 . . . . 118 THR C . 25689 1 1382 . 1 1 118 118 THR CA C 13 61.799 0.3 . 1 . . . . 118 THR CA . 25689 1 1383 . 1 1 118 118 THR CB C 13 68.910 0.3 . 1 . . . . 118 THR CB . 25689 1 1384 . 1 1 118 118 THR CG2 C 13 27.284 0.3 . 1 . . . . 118 THR CG2 . 25689 1 1385 . 1 1 118 118 THR N N 15 118.560 0.3 . 1 . . . . 118 THR N . 25689 1 1386 . 1 1 119 119 VAL H H 1 9.071 0.020 . 1 . . . . 119 VAL H . 25689 1 1387 . 1 1 119 119 VAL HA H 1 3.778 0.020 . 1 . . . . 119 VAL HA . 25689 1 1388 . 1 1 119 119 VAL HB H 1 1.847 0.020 . 1 . . . . 119 VAL HB . 25689 1 1389 . 1 1 119 119 VAL HG11 H 1 0.748 0.020 . 2 . . . . 119 VAL HG1 . 25689 1 1390 . 1 1 119 119 VAL HG12 H 1 0.748 0.020 . 2 . . . . 119 VAL HG1 . 25689 1 1391 . 1 1 119 119 VAL HG13 H 1 0.748 0.020 . 2 . . . . 119 VAL HG1 . 25689 1 1392 . 1 1 119 119 VAL HG21 H 1 0.574 0.020 . 2 . . . . 119 VAL HG2 . 25689 1 1393 . 1 1 119 119 VAL HG22 H 1 0.574 0.020 . 2 . . . . 119 VAL HG2 . 25689 1 1394 . 1 1 119 119 VAL HG23 H 1 0.574 0.020 . 2 . . . . 119 VAL HG2 . 25689 1 1395 . 1 1 119 119 VAL C C 13 173.256 0.3 . 1 . . . . 119 VAL C . 25689 1 1396 . 1 1 119 119 VAL CA C 13 61.780 0.3 . 1 . . . . 119 VAL CA . 25689 1 1397 . 1 1 119 119 VAL CB C 13 31.994 0.3 . 1 . . . . 119 VAL CB . 25689 1 1398 . 1 1 119 119 VAL CG1 C 13 20.068 0.3 . 1 . . . . 119 VAL CG1 . 25689 1 1399 . 1 1 119 119 VAL CG2 C 13 20.068 0.3 . 1 . . . . 119 VAL CG2 . 25689 1 1400 . 1 1 119 119 VAL N N 15 128.606 0.3 . 1 . . . . 119 VAL N . 25689 1 1401 . 1 1 120 120 ALA H H 1 8.166 0.020 . 1 . . . . 120 ALA H . 25689 1 1402 . 1 1 120 120 ALA HA H 1 4.923 0.020 . 1 . . . . 120 ALA HA . 25689 1 1403 . 1 1 120 120 ALA HB1 H 1 1.273 0.020 . 1 . . . . 120 ALA HB . 25689 1 1404 . 1 1 120 120 ALA HB2 H 1 1.273 0.020 . 1 . . . . 120 ALA HB . 25689 1 1405 . 1 1 120 120 ALA HB3 H 1 1.273 0.020 . 1 . . . . 120 ALA HB . 25689 1 1406 . 1 1 120 120 ALA C C 13 174.178 0.3 . 1 . . . . 120 ALA C . 25689 1 1407 . 1 1 120 120 ALA CA C 13 48.687 0.3 . 1 . . . . 120 ALA CA . 25689 1 1408 . 1 1 120 120 ALA CB C 13 20.211 0.3 . 1 . . . . 120 ALA CB . 25689 1 1409 . 1 1 120 120 ALA N N 15 130.148 0.3 . 1 . . . . 120 ALA N . 25689 1 1410 . 1 1 121 121 PRO N N 15 133.341 0.3 . 1 . . . . 121 PRO N . 25689 1 stop_ save_