data_34294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34294 _Entry.Title ; Solution structure of rat RIP2 caspase recruitment domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-25 _Entry.Accession_date 2018-06-25 _Entry.Last_release_date 2018-10-25 _Entry.Original_release_date 2018-10-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34294 stop_ 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 K. Mineev K. S. . . 34294 2 S. Goncharuk S. A. . . 34294 3 L. Artemieva L. E. . . 34294 4 A. Arseniev A. S. . . 34294 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CARD . 34294 RIP2 . 34294 'SIGNALING PROTEIN' . 34294 'caspase recruitment domain' . 34294 'rattus norvegicus' . 34294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 34294 '15N chemical shifts' 131 34294 '1H chemical shifts' 881 34294 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 . . 2018-10-29 . original BMRB . 34294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GWM . 34294 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0206244 _Citation.PubMed_ID 30352081 _Citation.Full_citation . _Citation.Title ; CARD domain of rat RIP2 kinase: Refolding, solution structure, pH-dependent behavior and protein-protein interactions. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0206244 _Citation.Page_last e0206244 _Citation.Year 2018 _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 S. Goncharuk S. A. . . 34294 1 2 L. Artemieva L. E. . . 34294 1 3 V. Tabakmakher V. M. . . 34294 1 4 A. Arseniev A. S. . . 34294 1 5 K. Mineev K. S. . . 34294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34294 _Assembly.ID 1 _Assembly.Name 'Receptor-interacting serine/threonine-protein kinase 2 (E.C.2.7.11.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHGSGSGLVPRGSGI AQQWIQSKREAIVSQMTEAC LNQSLDALLSRDLIMKEDYE LISTKPTRTAKVRQLLDTSD IQGEEFARVIVQKLKDNKQM GLQPYPEVLLVSRTPSSNVL QNKTL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.11.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14075.079 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'MHHHHHHGSGSGLVPRGS - polyhistidine tag with the trombine cleavage site' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tyrosine-protein kinase RIPK2' na 34294 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34294 1 2 . HIS . 34294 1 3 . HIS . 34294 1 4 . HIS . 34294 1 5 . HIS . 34294 1 6 . HIS . 34294 1 7 . HIS . 34294 1 8 . GLY . 34294 1 9 . SER . 34294 1 10 . GLY . 34294 1 11 . SER . 34294 1 12 . GLY . 34294 1 13 . LEU . 34294 1 14 . VAL . 34294 1 15 . PRO . 34294 1 16 . ARG . 34294 1 17 . GLY . 34294 1 18 . SER . 34294 1 19 . GLY . 34294 1 20 . ILE . 34294 1 21 . ALA . 34294 1 22 . GLN . 34294 1 23 . GLN . 34294 1 24 . TRP . 34294 1 25 . ILE . 34294 1 26 . GLN . 34294 1 27 . SER . 34294 1 28 . LYS . 34294 1 29 . ARG . 34294 1 30 . GLU . 34294 1 31 . ALA . 34294 1 32 . ILE . 34294 1 33 . VAL . 34294 1 34 . SER . 34294 1 35 . GLN . 34294 1 36 . MET . 34294 1 37 . THR . 34294 1 38 . GLU . 34294 1 39 . ALA . 34294 1 40 . CYS . 34294 1 41 . LEU . 34294 1 42 . ASN . 34294 1 43 . GLN . 34294 1 44 . SER . 34294 1 45 . LEU . 34294 1 46 . ASP . 34294 1 47 . ALA . 34294 1 48 . LEU . 34294 1 49 . LEU . 34294 1 50 . SER . 34294 1 51 . ARG . 34294 1 52 . ASP . 34294 1 53 . LEU . 34294 1 54 . ILE . 34294 1 55 . MET . 34294 1 56 . LYS . 34294 1 57 . GLU . 34294 1 58 . ASP . 34294 1 59 . TYR . 34294 1 60 . GLU . 34294 1 61 . LEU . 34294 1 62 . ILE . 34294 1 63 . SER . 34294 1 64 . THR . 34294 1 65 . LYS . 34294 1 66 . PRO . 34294 1 67 . THR . 34294 1 68 . ARG . 34294 1 69 . THR . 34294 1 70 . ALA . 34294 1 71 . LYS . 34294 1 72 . VAL . 34294 1 73 . ARG . 34294 1 74 . GLN . 34294 1 75 . LEU . 34294 1 76 . LEU . 34294 1 77 . ASP . 34294 1 78 . THR . 34294 1 79 . SER . 34294 1 80 . ASP . 34294 1 81 . ILE . 34294 1 82 . GLN . 34294 1 83 . GLY . 34294 1 84 . GLU . 34294 1 85 . GLU . 34294 1 86 . PHE . 34294 1 87 . ALA . 34294 1 88 . ARG . 34294 1 89 . VAL . 34294 1 90 . ILE . 34294 1 91 . VAL . 34294 1 92 . GLN . 34294 1 93 . LYS . 34294 1 94 . LEU . 34294 1 95 . LYS . 34294 1 96 . ASP . 34294 1 97 . ASN . 34294 1 98 . LYS . 34294 1 99 . GLN . 34294 1 100 . MET . 34294 1 101 . GLY . 34294 1 102 . LEU . 34294 1 103 . GLN . 34294 1 104 . PRO . 34294 1 105 . TYR . 34294 1 106 . PRO . 34294 1 107 . GLU . 34294 1 108 . VAL . 34294 1 109 . LEU . 34294 1 110 . LEU . 34294 1 111 . VAL . 34294 1 112 . SER . 34294 1 113 . ARG . 34294 1 114 . THR . 34294 1 115 . PRO . 34294 1 116 . SER . 34294 1 117 . SER . 34294 1 118 . ASN . 34294 1 119 . VAL . 34294 1 120 . LEU . 34294 1 121 . GLN . 34294 1 122 . ASN . 34294 1 123 . LYS . 34294 1 124 . THR . 34294 1 125 . LEU . 34294 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34294 1 . HIS 2 2 34294 1 . HIS 3 3 34294 1 . HIS 4 4 34294 1 . HIS 5 5 34294 1 . HIS 6 6 34294 1 . HIS 7 7 34294 1 . GLY 8 8 34294 1 . SER 9 9 34294 1 . GLY 10 10 34294 1 . SER 11 11 34294 1 . GLY 12 12 34294 1 . LEU 13 13 34294 1 . VAL 14 14 34294 1 . PRO 15 15 34294 1 . ARG 16 16 34294 1 . GLY 17 17 34294 1 . SER 18 18 34294 1 . GLY 19 19 34294 1 . ILE 20 20 34294 1 . ALA 21 21 34294 1 . GLN 22 22 34294 1 . GLN 23 23 34294 1 . TRP 24 24 34294 1 . ILE 25 25 34294 1 . GLN 26 26 34294 1 . SER 27 27 34294 1 . LYS 28 28 34294 1 . ARG 29 29 34294 1 . GLU 30 30 34294 1 . ALA 31 31 34294 1 . ILE 32 32 34294 1 . VAL 33 33 34294 1 . SER 34 34 34294 1 . GLN 35 35 34294 1 . MET 36 36 34294 1 . THR 37 37 34294 1 . GLU 38 38 34294 1 . ALA 39 39 34294 1 . CYS 40 40 34294 1 . LEU 41 41 34294 1 . ASN 42 42 34294 1 . GLN 43 43 34294 1 . SER 44 44 34294 1 . LEU 45 45 34294 1 . ASP 46 46 34294 1 . ALA 47 47 34294 1 . LEU 48 48 34294 1 . LEU 49 49 34294 1 . SER 50 50 34294 1 . ARG 51 51 34294 1 . ASP 52 52 34294 1 . LEU 53 53 34294 1 . ILE 54 54 34294 1 . MET 55 55 34294 1 . LYS 56 56 34294 1 . GLU 57 57 34294 1 . ASP 58 58 34294 1 . TYR 59 59 34294 1 . GLU 60 60 34294 1 . LEU 61 61 34294 1 . ILE 62 62 34294 1 . SER 63 63 34294 1 . THR 64 64 34294 1 . LYS 65 65 34294 1 . PRO 66 66 34294 1 . THR 67 67 34294 1 . ARG 68 68 34294 1 . THR 69 69 34294 1 . ALA 70 70 34294 1 . LYS 71 71 34294 1 . VAL 72 72 34294 1 . ARG 73 73 34294 1 . GLN 74 74 34294 1 . LEU 75 75 34294 1 . LEU 76 76 34294 1 . ASP 77 77 34294 1 . THR 78 78 34294 1 . SER 79 79 34294 1 . ASP 80 80 34294 1 . ILE 81 81 34294 1 . GLN 82 82 34294 1 . GLY 83 83 34294 1 . GLU 84 84 34294 1 . GLU 85 85 34294 1 . PHE 86 86 34294 1 . ALA 87 87 34294 1 . ARG 88 88 34294 1 . VAL 89 89 34294 1 . ILE 90 90 34294 1 . VAL 91 91 34294 1 . GLN 92 92 34294 1 . LYS 93 93 34294 1 . LEU 94 94 34294 1 . LYS 95 95 34294 1 . ASP 96 96 34294 1 . ASN 97 97 34294 1 . LYS 98 98 34294 1 . GLN 99 99 34294 1 . MET 100 100 34294 1 . GLY 101 101 34294 1 . LEU 102 102 34294 1 . GLN 103 103 34294 1 . PRO 104 104 34294 1 . TYR 105 105 34294 1 . PRO 106 106 34294 1 . GLU 107 107 34294 1 . VAL 108 108 34294 1 . LEU 109 109 34294 1 . LEU 110 110 34294 1 . VAL 111 111 34294 1 . SER 112 112 34294 1 . ARG 113 113 34294 1 . THR 114 114 34294 1 . PRO 115 115 34294 1 . SER 116 116 34294 1 . SER 117 117 34294 1 . ASN 118 118 34294 1 . VAL 119 119 34294 1 . LEU 120 120 34294 1 . GLN 121 121 34294 1 . ASN 122 122 34294 1 . LYS 123 123 34294 1 . THR 124 124 34294 1 . LEU 125 125 34294 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 34294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . 'Ripk2, rCG_54865' . 34294 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 34294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . pLysS . pGEMEX-1 . . . . . . 34294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34294 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-99% 13C; U-99% 15N] CARD domain of rat RIP2, 1 mM TCEP, 0.001 % sodium azide, 90% H2O/10% D2O' _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 'CARD domain of rat RIP2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 34294 1 2 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34294 1 3 'sodium azide' 'natural abundance' . . . . . . 0.001 . . % . . . . 34294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34294 _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 2 mM 34294 1 pH 4.2 . pH 34294 1 pressure 1 . atm 34294 1 temperature 303 . K 34294 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34294 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 34294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34294 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34294 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34294 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34294 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34294 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34294 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34294 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34294 _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 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 34294 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 34294 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34294 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34294 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34294 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34294 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34294 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34294 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34294 1 2 '3D HNCO' . . . 34294 1 3 '3D HNCACB' . . . 34294 1 4 '3D CBCA(CO)NH' . . . 34294 1 5 '3D HN(CO)CA' . . . 34294 1 6 '3D 1H-15N NOESY' . . . 34294 1 7 '3D HN(CA)CO' . . . 34294 1 8 '3D 1H-13C NOESY aliphatic' . . . 34294 1 9 '3D HCCH-TOCSY' . . . 34294 1 10 '3D HCCH-COSY' . . . 34294 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.071 0.020 . . . . . . A 1 MET HA . 34294 1 2 . 1 1 1 1 MET HB2 H 1 2.097 0.020 . . . . . . A 1 MET HB2 . 34294 1 3 . 1 1 1 1 MET HB3 H 1 2.043 0.020 . . . . . . A 1 MET HB3 . 34294 1 4 . 1 1 1 1 MET HG2 H 1 2.485 0.020 . . . . . . A 1 MET HG2 . 34294 1 5 . 1 1 1 1 MET HG3 H 1 2.398 0.020 . . . . . . A 1 MET HG3 . 34294 1 6 . 1 1 1 1 MET CA C 13 54.498 0.300 . . . . . . A 1 MET CA . 34294 1 7 . 1 1 1 1 MET CB C 13 32.380 0.300 . . . . . . A 1 MET CB . 34294 1 8 . 1 1 1 1 MET CG C 13 30.177 0.300 . . . . . . A 1 MET CG . 34294 1 9 . 1 1 6 6 HIS C C 13 173.608 0.300 . . . . . . A 6 HIS C . 34294 1 10 . 1 1 6 6 HIS CA C 13 55.044 0.300 . . . . . . A 6 HIS CA . 34294 1 11 . 1 1 6 6 HIS CB C 13 28.791 0.300 . . . . . . A 6 HIS CB . 34294 1 12 . 1 1 7 7 HIS H H 1 8.708 0.020 . . . . . . A 7 HIS H . 34294 1 13 . 1 1 7 7 HIS HA H 1 4.652 0.020 . . . . . . A 7 HIS HA . 34294 1 14 . 1 1 7 7 HIS HB2 H 1 3.192 0.020 . . . . . . A 7 HIS HB2 . 34294 1 15 . 1 1 7 7 HIS HB3 H 1 3.192 0.020 . . . . . . A 7 HIS HB3 . 34294 1 16 . 1 1 7 7 HIS C C 13 174.139 0.300 . . . . . . A 7 HIS C . 34294 1 17 . 1 1 7 7 HIS CA C 13 54.882 0.300 . . . . . . A 7 HIS CA . 34294 1 18 . 1 1 7 7 HIS CB C 13 28.839 0.300 . . . . . . A 7 HIS CB . 34294 1 19 . 1 1 7 7 HIS N N 15 121.438 0.300 . . . . . . A 7 HIS N . 34294 1 20 . 1 1 8 8 GLY H H 1 8.526 0.020 . . . . . . A 8 GLY H . 34294 1 21 . 1 1 8 8 GLY HA2 H 1 4.000 0.020 . . . . . . A 8 GLY HA2 . 34294 1 22 . 1 1 8 8 GLY HA3 H 1 4.000 0.020 . . . . . . A 8 GLY HA3 . 34294 1 23 . 1 1 8 8 GLY C C 13 173.567 0.300 . . . . . . A 8 GLY C . 34294 1 24 . 1 1 8 8 GLY CA C 13 44.610 0.300 . . . . . . A 8 GLY CA . 34294 1 25 . 1 1 8 8 GLY N N 15 111.212 0.300 . . . . . . A 8 GLY N . 34294 1 26 . 1 1 9 9 SER H H 1 8.417 0.020 . . . . . . A 9 SER H . 34294 1 27 . 1 1 9 9 SER HA H 1 4.506 0.020 . . . . . . A 9 SER HA . 34294 1 28 . 1 1 9 9 SER HB2 H 1 3.900 0.020 . . . . . . A 9 SER HB2 . 34294 1 29 . 1 1 9 9 SER HB3 H 1 3.900 0.020 . . . . . . A 9 SER HB3 . 34294 1 30 . 1 1 9 9 SER C C 13 174.794 0.300 . . . . . . A 9 SER C . 34294 1 31 . 1 1 9 9 SER CA C 13 58.018 0.300 . . . . . . A 9 SER CA . 34294 1 32 . 1 1 9 9 SER CB C 13 63.579 0.300 . . . . . . A 9 SER CB . 34294 1 33 . 1 1 9 9 SER N N 15 115.858 0.300 . . . . . . A 9 SER N . 34294 1 34 . 1 1 10 10 GLY H H 1 8.560 0.020 . . . . . . A 10 GLY H . 34294 1 35 . 1 1 10 10 GLY HA2 H 1 4.021 0.020 . . . . . . A 10 GLY HA2 . 34294 1 36 . 1 1 10 10 GLY HA3 H 1 4.021 0.020 . . . . . . A 10 GLY HA3 . 34294 1 37 . 1 1 10 10 GLY C C 13 173.878 0.300 . . . . . . A 10 GLY C . 34294 1 38 . 1 1 10 10 GLY CA C 13 44.956 0.300 . . . . . . A 10 GLY CA . 34294 1 39 . 1 1 10 10 GLY N N 15 111.039 0.300 . . . . . . A 10 GLY N . 34294 1 40 . 1 1 11 11 SER H H 1 8.322 0.020 . . . . . . A 11 SER H . 34294 1 41 . 1 1 11 11 SER HA H 1 4.451 0.020 . . . . . . A 11 SER HA . 34294 1 42 . 1 1 11 11 SER HB2 H 1 3.912 0.020 . . . . . . A 11 SER HB2 . 34294 1 43 . 1 1 11 11 SER HB3 H 1 3.880 0.020 . . . . . . A 11 SER HB3 . 34294 1 44 . 1 1 11 11 SER C C 13 174.695 0.300 . . . . . . A 11 SER C . 34294 1 45 . 1 1 11 11 SER CA C 13 58.020 0.300 . . . . . . A 11 SER CA . 34294 1 46 . 1 1 11 11 SER CB C 13 63.579 0.300 . . . . . . A 11 SER CB . 34294 1 47 . 1 1 11 11 SER N N 15 115.720 0.300 . . . . . . A 11 SER N . 34294 1 48 . 1 1 12 12 GLY H H 1 8.470 0.020 . . . . . . A 12 GLY H . 34294 1 49 . 1 1 12 12 GLY HA2 H 1 3.945 0.020 . . . . . . A 12 GLY HA2 . 34294 1 50 . 1 1 12 12 GLY HA3 H 1 3.945 0.020 . . . . . . A 12 GLY HA3 . 34294 1 51 . 1 1 12 12 GLY C C 13 173.436 0.300 . . . . . . A 12 GLY C . 34294 1 52 . 1 1 12 12 GLY CA C 13 44.845 0.300 . . . . . . A 12 GLY CA . 34294 1 53 . 1 1 12 12 GLY N N 15 110.778 0.300 . . . . . . A 12 GLY N . 34294 1 54 . 1 1 13 13 LEU H H 1 8.053 0.020 . . . . . . A 13 LEU H . 34294 1 55 . 1 1 13 13 LEU HA H 1 4.362 0.020 . . . . . . A 13 LEU HA . 34294 1 56 . 1 1 13 13 LEU HB2 H 1 1.578 0.020 . . . . . . A 13 LEU HB2 . 34294 1 57 . 1 1 13 13 LEU HB3 H 1 1.578 0.020 . . . . . . A 13 LEU HB3 . 34294 1 58 . 1 1 13 13 LEU HG H 1 1.577 0.020 . . . . . . A 13 LEU HG . 34294 1 59 . 1 1 13 13 LEU HD11 H 1 0.892 0.020 . . . . . . A 13 LEU HD11 . 34294 1 60 . 1 1 13 13 LEU HD12 H 1 0.892 0.020 . . . . . . A 13 LEU HD12 . 34294 1 61 . 1 1 13 13 LEU HD13 H 1 0.892 0.020 . . . . . . A 13 LEU HD13 . 34294 1 62 . 1 1 13 13 LEU HD21 H 1 0.843 0.020 . . . . . . A 13 LEU HD21 . 34294 1 63 . 1 1 13 13 LEU HD22 H 1 0.843 0.020 . . . . . . A 13 LEU HD22 . 34294 1 64 . 1 1 13 13 LEU HD23 H 1 0.843 0.020 . . . . . . A 13 LEU HD23 . 34294 1 65 . 1 1 13 13 LEU C C 13 176.691 0.300 . . . . . . A 13 LEU C . 34294 1 66 . 1 1 13 13 LEU CA C 13 54.662 0.300 . . . . . . A 13 LEU CA . 34294 1 67 . 1 1 13 13 LEU CB C 13 41.990 0.300 . . . . . . A 13 LEU CB . 34294 1 68 . 1 1 13 13 LEU CG C 13 26.688 0.300 . . . . . . A 13 LEU CG . 34294 1 69 . 1 1 13 13 LEU CD1 C 13 24.407 0.300 . . . . . . A 13 LEU CD1 . 34294 1 70 . 1 1 13 13 LEU CD2 C 13 23.069 0.300 . . . . . . A 13 LEU CD2 . 34294 1 71 . 1 1 13 13 LEU N N 15 121.601 0.300 . . . . . . A 13 LEU N . 34294 1 72 . 1 1 14 14 VAL H H 1 8.122 0.020 . . . . . . A 14 VAL H . 34294 1 73 . 1 1 14 14 VAL HA H 1 4.417 0.020 . . . . . . A 14 VAL HA . 34294 1 74 . 1 1 14 14 VAL HB H 1 2.073 0.020 . . . . . . A 14 VAL HB . 34294 1 75 . 1 1 14 14 VAL HG11 H 1 0.959 0.020 . . . . . . A 14 VAL HG11 . 34294 1 76 . 1 1 14 14 VAL HG12 H 1 0.959 0.020 . . . . . . A 14 VAL HG12 . 34294 1 77 . 1 1 14 14 VAL HG13 H 1 0.959 0.020 . . . . . . A 14 VAL HG13 . 34294 1 78 . 1 1 14 14 VAL HG21 H 1 0.926 0.020 . . . . . . A 14 VAL HG21 . 34294 1 79 . 1 1 14 14 VAL HG22 H 1 0.926 0.020 . . . . . . A 14 VAL HG22 . 34294 1 80 . 1 1 14 14 VAL HG23 H 1 0.926 0.020 . . . . . . A 14 VAL HG23 . 34294 1 81 . 1 1 14 14 VAL C C 13 173.959 0.300 . . . . . . A 14 VAL C . 34294 1 82 . 1 1 14 14 VAL CA C 13 59.355 0.300 . . . . . . A 14 VAL CA . 34294 1 83 . 1 1 14 14 VAL CB C 13 32.262 0.300 . . . . . . A 14 VAL CB . 34294 1 84 . 1 1 14 14 VAL CG1 C 13 20.610 0.300 . . . . . . A 14 VAL CG1 . 34294 1 85 . 1 1 14 14 VAL CG2 C 13 19.960 0.300 . . . . . . A 14 VAL CG2 . 34294 1 86 . 1 1 14 14 VAL N N 15 122.852 0.300 . . . . . . A 14 VAL N . 34294 1 87 . 1 1 15 15 PRO HA H 1 4.409 0.020 . . . . . . A 15 PRO HA . 34294 1 88 . 1 1 15 15 PRO HB2 H 1 2.299 0.020 . . . . . . A 15 PRO HB2 . 34294 1 89 . 1 1 15 15 PRO HB3 H 1 1.903 0.020 . . . . . . A 15 PRO HB3 . 34294 1 90 . 1 1 15 15 PRO HG2 H 1 1.972 0.020 . . . . . . A 15 PRO HG2 . 34294 1 91 . 1 1 15 15 PRO HG3 H 1 2.047 0.020 . . . . . . A 15 PRO HG3 . 34294 1 92 . 1 1 15 15 PRO HD2 H 1 3.880 0.020 . . . . . . A 15 PRO HD2 . 34294 1 93 . 1 1 15 15 PRO HD3 H 1 3.678 0.020 . . . . . . A 15 PRO HD3 . 34294 1 94 . 1 1 15 15 PRO C C 13 176.478 0.300 . . . . . . A 15 PRO C . 34294 1 95 . 1 1 15 15 PRO CA C 13 62.698 0.300 . . . . . . A 15 PRO CA . 34294 1 96 . 1 1 15 15 PRO CB C 13 31.676 0.300 . . . . . . A 15 PRO CB . 34294 1 97 . 1 1 15 15 PRO CG C 13 26.969 0.300 . . . . . . A 15 PRO CG . 34294 1 98 . 1 1 15 15 PRO CD C 13 50.657 0.300 . . . . . . A 15 PRO CD . 34294 1 99 . 1 1 16 16 ARG H H 1 8.450 0.020 . . . . . . A 16 ARG H . 34294 1 100 . 1 1 16 16 ARG HA H 1 4.341 0.020 . . . . . . A 16 ARG HA . 34294 1 101 . 1 1 16 16 ARG HB2 H 1 1.867 0.020 . . . . . . A 16 ARG HB2 . 34294 1 102 . 1 1 16 16 ARG HB3 H 1 1.808 0.020 . . . . . . A 16 ARG HB3 . 34294 1 103 . 1 1 16 16 ARG HG2 H 1 1.728 0.020 . . . . . . A 16 ARG HG2 . 34294 1 104 . 1 1 16 16 ARG HG3 H 1 1.674 0.020 . . . . . . A 16 ARG HG3 . 34294 1 105 . 1 1 16 16 ARG HD2 H 1 3.217 0.020 . . . . . . A 16 ARG HD2 . 34294 1 106 . 1 1 16 16 ARG HD3 H 1 3.217 0.020 . . . . . . A 16 ARG HD3 . 34294 1 107 . 1 1 16 16 ARG HE H 1 7.188 0.020 . . . . . . A 16 ARG HE . 34294 1 108 . 1 1 16 16 ARG C C 13 176.592 0.300 . . . . . . A 16 ARG C . 34294 1 109 . 1 1 16 16 ARG CA C 13 55.880 0.300 . . . . . . A 16 ARG CA . 34294 1 110 . 1 1 16 16 ARG CB C 13 30.473 0.300 . . . . . . A 16 ARG CB . 34294 1 111 . 1 1 16 16 ARG CG C 13 26.654 0.300 . . . . . . A 16 ARG CG . 34294 1 112 . 1 1 16 16 ARG CD C 13 43.020 0.300 . . . . . . A 16 ARG CD . 34294 1 113 . 1 1 16 16 ARG N N 15 121.951 0.300 . . . . . . A 16 ARG N . 34294 1 114 . 1 1 16 16 ARG NE N 15 84.823 0.300 . . . . . . A 16 ARG NE . 34294 1 115 . 1 1 17 17 GLY H H 1 8.514 0.020 . . . . . . A 17 GLY H . 34294 1 116 . 1 1 17 17 GLY HA2 H 1 3.960 0.020 . . . . . . A 17 GLY HA2 . 34294 1 117 . 1 1 17 17 GLY HA3 H 1 3.960 0.020 . . . . . . A 17 GLY HA3 . 34294 1 118 . 1 1 17 17 GLY C C 13 173.518 0.300 . . . . . . A 17 GLY C . 34294 1 119 . 1 1 17 17 GLY CA C 13 45.018 0.300 . . . . . . A 17 GLY CA . 34294 1 120 . 1 1 17 17 GLY N N 15 110.662 0.300 . . . . . . A 17 GLY N . 34294 1 121 . 1 1 18 18 SER H H 1 8.194 0.020 . . . . . . A 18 SER H . 34294 1 122 . 1 1 18 18 SER HA H 1 4.576 0.020 . . . . . . A 18 SER HA . 34294 1 123 . 1 1 18 18 SER HB2 H 1 3.883 0.020 . . . . . . A 18 SER HB2 . 34294 1 124 . 1 1 18 18 SER HB3 H 1 3.851 0.020 . . . . . . A 18 SER HB3 . 34294 1 125 . 1 1 18 18 SER C C 13 174.483 0.300 . . . . . . A 18 SER C . 34294 1 126 . 1 1 18 18 SER CA C 13 57.730 0.300 . . . . . . A 18 SER CA . 34294 1 127 . 1 1 18 18 SER CB C 13 63.910 0.300 . . . . . . A 18 SER CB . 34294 1 128 . 1 1 18 18 SER N N 15 115.127 0.300 . . . . . . A 18 SER N . 34294 1 129 . 1 1 19 19 GLY H H 1 8.654 0.020 . . . . . . A 19 GLY H . 34294 1 130 . 1 1 19 19 GLY HA2 H 1 3.958 0.020 . . . . . . A 19 GLY HA2 . 34294 1 131 . 1 1 19 19 GLY HA3 H 1 4.214 0.020 . . . . . . A 19 GLY HA3 . 34294 1 132 . 1 1 19 19 GLY C C 13 173.289 0.300 . . . . . . A 19 GLY C . 34294 1 133 . 1 1 19 19 GLY CA C 13 44.675 0.300 . . . . . . A 19 GLY CA . 34294 1 134 . 1 1 19 19 GLY N N 15 112.060 0.300 . . . . . . A 19 GLY N . 34294 1 135 . 1 1 20 20 ILE H H 1 8.197 0.020 . . . . . . A 20 ILE H . 34294 1 136 . 1 1 20 20 ILE HA H 1 3.789 0.020 . . . . . . A 20 ILE HA . 34294 1 137 . 1 1 20 20 ILE HB H 1 1.735 0.020 . . . . . . A 20 ILE HB . 34294 1 138 . 1 1 20 20 ILE HG12 H 1 1.670 0.020 . . . . . . A 20 ILE HG12 . 34294 1 139 . 1 1 20 20 ILE HG13 H 1 1.276 0.020 . . . . . . A 20 ILE HG13 . 34294 1 140 . 1 1 20 20 ILE HG21 H 1 0.938 0.020 . . . . . . A 20 ILE HG21 . 34294 1 141 . 1 1 20 20 ILE HG22 H 1 0.938 0.020 . . . . . . A 20 ILE HG22 . 34294 1 142 . 1 1 20 20 ILE HG23 H 1 0.938 0.020 . . . . . . A 20 ILE HG23 . 34294 1 143 . 1 1 20 20 ILE HD11 H 1 0.927 0.020 . . . . . . A 20 ILE HD11 . 34294 1 144 . 1 1 20 20 ILE HD12 H 1 0.927 0.020 . . . . . . A 20 ILE HD12 . 34294 1 145 . 1 1 20 20 ILE HD13 H 1 0.927 0.020 . . . . . . A 20 ILE HD13 . 34294 1 146 . 1 1 20 20 ILE C C 13 178.293 0.300 . . . . . . A 20 ILE C . 34294 1 147 . 1 1 20 20 ILE CA C 13 64.327 0.300 . . . . . . A 20 ILE CA . 34294 1 148 . 1 1 20 20 ILE CB C 13 38.455 0.300 . . . . . . A 20 ILE CB . 34294 1 149 . 1 1 20 20 ILE CG1 C 13 28.006 0.300 . . . . . . A 20 ILE CG1 . 34294 1 150 . 1 1 20 20 ILE CG2 C 13 17.336 0.300 . . . . . . A 20 ILE CG2 . 34294 1 151 . 1 1 20 20 ILE CD1 C 13 12.696 0.300 . . . . . . A 20 ILE CD1 . 34294 1 152 . 1 1 20 20 ILE N N 15 120.910 0.300 . . . . . . A 20 ILE N . 34294 1 153 . 1 1 21 21 ALA H H 1 11.825 0.020 . . . . . . A 21 ALA H . 34294 1 154 . 1 1 21 21 ALA HA H 1 4.093 0.020 . . . . . . A 21 ALA HA . 34294 1 155 . 1 1 21 21 ALA HB1 H 1 1.364 0.020 . . . . . . A 21 ALA HB1 . 34294 1 156 . 1 1 21 21 ALA HB2 H 1 1.364 0.020 . . . . . . A 21 ALA HB2 . 34294 1 157 . 1 1 21 21 ALA HB3 H 1 1.364 0.020 . . . . . . A 21 ALA HB3 . 34294 1 158 . 1 1 21 21 ALA C C 13 179.471 0.300 . . . . . . A 21 ALA C . 34294 1 159 . 1 1 21 21 ALA CA C 13 55.315 0.300 . . . . . . A 21 ALA CA . 34294 1 160 . 1 1 21 21 ALA CB C 13 18.015 0.300 . . . . . . A 21 ALA CB . 34294 1 161 . 1 1 21 21 ALA N N 15 129.633 0.300 . . . . . . A 21 ALA N . 34294 1 162 . 1 1 22 22 GLN H H 1 9.436 0.020 . . . . . . A 22 GLN H . 34294 1 163 . 1 1 22 22 GLN HA H 1 3.903 0.020 . . . . . . A 22 GLN HA . 34294 1 164 . 1 1 22 22 GLN HB2 H 1 2.152 0.020 . . . . . . A 22 GLN HB2 . 34294 1 165 . 1 1 22 22 GLN HB3 H 1 2.029 0.020 . . . . . . A 22 GLN HB3 . 34294 1 166 . 1 1 22 22 GLN HG2 H 1 2.836 0.020 . . . . . . A 22 GLN HG2 . 34294 1 167 . 1 1 22 22 GLN HG3 H 1 2.283 0.020 . . . . . . A 22 GLN HG3 . 34294 1 168 . 1 1 22 22 GLN HE21 H 1 7.499 0.020 . . . . . . A 22 GLN HE21 . 34294 1 169 . 1 1 22 22 GLN HE22 H 1 7.073 0.020 . . . . . . A 22 GLN HE22 . 34294 1 170 . 1 1 22 22 GLN C C 13 178.784 0.300 . . . . . . A 22 GLN C . 34294 1 171 . 1 1 22 22 GLN CA C 13 59.579 0.300 . . . . . . A 22 GLN CA . 34294 1 172 . 1 1 22 22 GLN CB C 13 29.257 0.300 . . . . . . A 22 GLN CB . 34294 1 173 . 1 1 22 22 GLN CG C 13 34.782 0.300 . . . . . . A 22 GLN CG . 34294 1 174 . 1 1 22 22 GLN N N 15 120.236 0.300 . . . . . . A 22 GLN N . 34294 1 175 . 1 1 22 22 GLN NE2 N 15 113.116 0.300 . . . . . . A 22 GLN NE2 . 34294 1 176 . 1 1 23 23 GLN H H 1 8.630 0.020 . . . . . . A 23 GLN H . 34294 1 177 . 1 1 23 23 GLN HA H 1 3.997 0.020 . . . . . . A 23 GLN HA . 34294 1 178 . 1 1 23 23 GLN HB2 H 1 2.154 0.020 . . . . . . A 23 GLN HB2 . 34294 1 179 . 1 1 23 23 GLN HB3 H 1 2.154 0.020 . . . . . . A 23 GLN HB3 . 34294 1 180 . 1 1 23 23 GLN HG2 H 1 2.589 0.020 . . . . . . A 23 GLN HG2 . 34294 1 181 . 1 1 23 23 GLN HG3 H 1 2.341 0.020 . . . . . . A 23 GLN HG3 . 34294 1 182 . 1 1 23 23 GLN HE21 H 1 7.286 0.020 . . . . . . A 23 GLN HE21 . 34294 1 183 . 1 1 23 23 GLN HE22 H 1 6.787 0.020 . . . . . . A 23 GLN HE22 . 34294 1 184 . 1 1 23 23 GLN C C 13 178.195 0.300 . . . . . . A 23 GLN C . 34294 1 185 . 1 1 23 23 GLN CA C 13 58.678 0.300 . . . . . . A 23 GLN CA . 34294 1 186 . 1 1 23 23 GLN CB C 13 28.298 0.300 . . . . . . A 23 GLN CB . 34294 1 187 . 1 1 23 23 GLN CG C 13 34.369 0.300 . . . . . . A 23 GLN CG . 34294 1 188 . 1 1 23 23 GLN N N 15 117.928 0.300 . . . . . . A 23 GLN N . 34294 1 189 . 1 1 23 23 GLN NE2 N 15 111.603 0.300 . . . . . . A 23 GLN NE2 . 34294 1 190 . 1 1 24 24 TRP H H 1 8.240 0.020 . . . . . . A 24 TRP H . 34294 1 191 . 1 1 24 24 TRP HA H 1 4.098 0.020 . . . . . . A 24 TRP HA . 34294 1 192 . 1 1 24 24 TRP HB2 H 1 3.325 0.020 . . . . . . A 24 TRP HB2 . 34294 1 193 . 1 1 24 24 TRP HB3 H 1 3.585 0.020 . . . . . . A 24 TRP HB3 . 34294 1 194 . 1 1 24 24 TRP HD1 H 1 7.282 0.020 . . . . . . A 24 TRP HD1 . 34294 1 195 . 1 1 24 24 TRP HE1 H 1 10.532 0.020 . . . . . . A 24 TRP HE1 . 34294 1 196 . 1 1 24 24 TRP HE3 H 1 7.367 0.020 . . . . . . A 24 TRP HE3 . 34294 1 197 . 1 1 24 24 TRP HZ2 H 1 6.872 0.020 . . . . . . A 24 TRP HZ2 . 34294 1 198 . 1 1 24 24 TRP HZ3 H 1 6.770 0.020 . . . . . . A 24 TRP HZ3 . 34294 1 199 . 1 1 24 24 TRP HH2 H 1 6.840 0.020 . . . . . . A 24 TRP HH2 . 34294 1 200 . 1 1 24 24 TRP C C 13 178.620 0.300 . . . . . . A 24 TRP C . 34294 1 201 . 1 1 24 24 TRP CA C 13 62.169 0.300 . . . . . . A 24 TRP CA . 34294 1 202 . 1 1 24 24 TRP CB C 13 28.689 0.300 . . . . . . A 24 TRP CB . 34294 1 203 . 1 1 24 24 TRP CD1 C 13 126.693 0.300 . . . . . . A 24 TRP CD1 . 34294 1 204 . 1 1 24 24 TRP CE3 C 13 120.104 0.300 . . . . . . A 24 TRP CE3 . 34294 1 205 . 1 1 24 24 TRP CZ2 C 13 114.844 0.300 . . . . . . A 24 TRP CZ2 . 34294 1 206 . 1 1 24 24 TRP CZ3 C 13 120.960 0.300 . . . . . . A 24 TRP CZ3 . 34294 1 207 . 1 1 24 24 TRP CH2 C 13 124.080 0.300 . . . . . . A 24 TRP CH2 . 34294 1 208 . 1 1 24 24 TRP N N 15 123.502 0.300 . . . . . . A 24 TRP N . 34294 1 209 . 1 1 24 24 TRP NE1 N 15 129.134 0.300 . . . . . . A 24 TRP NE1 . 34294 1 210 . 1 1 25 25 ILE H H 1 8.766 0.020 . . . . . . A 25 ILE H . 34294 1 211 . 1 1 25 25 ILE HA H 1 3.348 0.020 . . . . . . A 25 ILE HA . 34294 1 212 . 1 1 25 25 ILE HB H 1 2.147 0.020 . . . . . . A 25 ILE HB . 34294 1 213 . 1 1 25 25 ILE HG12 H 1 2.235 0.020 . . . . . . A 25 ILE HG12 . 34294 1 214 . 1 1 25 25 ILE HG13 H 1 1.150 0.020 . . . . . . A 25 ILE HG13 . 34294 1 215 . 1 1 25 25 ILE HG21 H 1 0.928 0.020 . . . . . . A 25 ILE HG21 . 34294 1 216 . 1 1 25 25 ILE HG22 H 1 0.928 0.020 . . . . . . A 25 ILE HG22 . 34294 1 217 . 1 1 25 25 ILE HG23 H 1 0.928 0.020 . . . . . . A 25 ILE HG23 . 34294 1 218 . 1 1 25 25 ILE HD11 H 1 1.076 0.020 . . . . . . A 25 ILE HD11 . 34294 1 219 . 1 1 25 25 ILE HD12 H 1 1.076 0.020 . . . . . . A 25 ILE HD12 . 34294 1 220 . 1 1 25 25 ILE HD13 H 1 1.076 0.020 . . . . . . A 25 ILE HD13 . 34294 1 221 . 1 1 25 25 ILE C C 13 177.394 0.300 . . . . . . A 25 ILE C . 34294 1 222 . 1 1 25 25 ILE CA C 13 65.069 0.300 . . . . . . A 25 ILE CA . 34294 1 223 . 1 1 25 25 ILE CB C 13 37.268 0.300 . . . . . . A 25 ILE CB . 34294 1 224 . 1 1 25 25 ILE CG1 C 13 29.281 0.300 . . . . . . A 25 ILE CG1 . 34294 1 225 . 1 1 25 25 ILE CG2 C 13 17.456 0.300 . . . . . . A 25 ILE CG2 . 34294 1 226 . 1 1 25 25 ILE CD1 C 13 13.608 0.300 . . . . . . A 25 ILE CD1 . 34294 1 227 . 1 1 25 25 ILE N N 15 119.437 0.300 . . . . . . A 25 ILE N . 34294 1 228 . 1 1 26 26 GLN H H 1 8.004 0.020 . . . . . . A 26 GLN H . 34294 1 229 . 1 1 26 26 GLN HA H 1 3.912 0.020 . . . . . . A 26 GLN HA . 34294 1 230 . 1 1 26 26 GLN HB2 H 1 2.191 0.020 . . . . . . A 26 GLN HB2 . 34294 1 231 . 1 1 26 26 GLN HB3 H 1 2.084 0.020 . . . . . . A 26 GLN HB3 . 34294 1 232 . 1 1 26 26 GLN HG2 H 1 2.556 0.020 . . . . . . A 26 GLN HG2 . 34294 1 233 . 1 1 26 26 GLN HG3 H 1 2.529 0.020 . . . . . . A 26 GLN HG3 . 34294 1 234 . 1 1 26 26 GLN HE21 H 1 7.494 0.020 . . . . . . A 26 GLN HE21 . 34294 1 235 . 1 1 26 26 GLN HE22 H 1 6.819 0.020 . . . . . . A 26 GLN HE22 . 34294 1 236 . 1 1 26 26 GLN C C 13 178.686 0.300 . . . . . . A 26 GLN C . 34294 1 237 . 1 1 26 26 GLN CA C 13 58.371 0.300 . . . . . . A 26 GLN CA . 34294 1 238 . 1 1 26 26 GLN CB C 13 27.144 0.300 . . . . . . A 26 GLN CB . 34294 1 239 . 1 1 26 26 GLN CG C 13 33.090 0.300 . . . . . . A 26 GLN CG . 34294 1 240 . 1 1 26 26 GLN N N 15 115.684 0.300 . . . . . . A 26 GLN N . 34294 1 241 . 1 1 26 26 GLN NE2 N 15 110.984 0.300 . . . . . . A 26 GLN NE2 . 34294 1 242 . 1 1 27 27 SER H H 1 8.000 0.020 . . . . . . A 27 SER H . 34294 1 243 . 1 1 27 27 SER HA H 1 4.235 0.020 . . . . . . A 27 SER HA . 34294 1 244 . 1 1 27 27 SER HB2 H 1 3.931 0.020 . . . . . . A 27 SER HB2 . 34294 1 245 . 1 1 27 27 SER HB3 H 1 3.931 0.020 . . . . . . A 27 SER HB3 . 34294 1 246 . 1 1 27 27 SER C C 13 174.744 0.300 . . . . . . A 27 SER C . 34294 1 247 . 1 1 27 27 SER CA C 13 60.349 0.300 . . . . . . A 27 SER CA . 34294 1 248 . 1 1 27 27 SER CB C 13 62.993 0.300 . . . . . . A 27 SER CB . 34294 1 249 . 1 1 27 27 SER N N 15 114.217 0.300 . . . . . . A 27 SER N . 34294 1 250 . 1 1 28 28 LYS H H 1 7.291 0.020 . . . . . . A 28 LYS H . 34294 1 251 . 1 1 28 28 LYS HA H 1 4.586 0.020 . . . . . . A 28 LYS HA . 34294 1 252 . 1 1 28 28 LYS HB2 H 1 1.397 0.020 . . . . . . A 28 LYS HB2 . 34294 1 253 . 1 1 28 28 LYS HB3 H 1 0.959 0.020 . . . . . . A 28 LYS HB3 . 34294 1 254 . 1 1 28 28 LYS HG2 H 1 0.542 0.020 . . . . . . A 28 LYS HG2 . 34294 1 255 . 1 1 28 28 LYS HG3 H 1 0.542 0.020 . . . . . . A 28 LYS HG3 . 34294 1 256 . 1 1 28 28 LYS HD2 H 1 0.869 0.020 . . . . . . A 28 LYS HD2 . 34294 1 257 . 1 1 28 28 LYS HD3 H 1 0.517 0.020 . . . . . . A 28 LYS HD3 . 34294 1 258 . 1 1 28 28 LYS HE2 H 1 1.951 0.020 . . . . . . A 28 LYS HE2 . 34294 1 259 . 1 1 28 28 LYS HE3 H 1 2.341 0.020 . . . . . . A 28 LYS HE3 . 34294 1 260 . 1 1 28 28 LYS C C 13 175.628 0.300 . . . . . . A 28 LYS C . 34294 1 261 . 1 1 28 28 LYS CA C 13 54.065 0.300 . . . . . . A 28 LYS CA . 34294 1 262 . 1 1 28 28 LYS CB C 13 30.918 0.300 . . . . . . A 28 LYS CB . 34294 1 263 . 1 1 28 28 LYS CG C 13 22.337 0.300 . . . . . . A 28 LYS CG . 34294 1 264 . 1 1 28 28 LYS CD C 13 27.815 0.300 . . . . . . A 28 LYS CD . 34294 1 265 . 1 1 28 28 LYS CE C 13 41.499 0.300 . . . . . . A 28 LYS CE . 34294 1 266 . 1 1 28 28 LYS N N 15 119.868 0.300 . . . . . . A 28 LYS N . 34294 1 267 . 1 1 29 29 ARG H H 1 6.843 0.020 . . . . . . A 29 ARG H . 34294 1 268 . 1 1 29 29 ARG HA H 1 3.589 0.020 . . . . . . A 29 ARG HA . 34294 1 269 . 1 1 29 29 ARG HB2 H 1 2.032 0.020 . . . . . . A 29 ARG HB2 . 34294 1 270 . 1 1 29 29 ARG HB3 H 1 1.748 0.020 . . . . . . A 29 ARG HB3 . 34294 1 271 . 1 1 29 29 ARG HG2 H 1 1.413 0.020 . . . . . . A 29 ARG HG2 . 34294 1 272 . 1 1 29 29 ARG HG3 H 1 1.497 0.020 . . . . . . A 29 ARG HG3 . 34294 1 273 . 1 1 29 29 ARG HD2 H 1 3.294 0.020 . . . . . . A 29 ARG HD2 . 34294 1 274 . 1 1 29 29 ARG HD3 H 1 3.169 0.020 . . . . . . A 29 ARG HD3 . 34294 1 275 . 1 1 29 29 ARG HE H 1 7.540 0.020 . . . . . . A 29 ARG HE . 34294 1 276 . 1 1 29 29 ARG HH21 H 1 6.977 0.020 . . . . . . A 29 ARG HH21 . 34294 1 277 . 1 1 29 29 ARG C C 13 176.887 0.300 . . . . . . A 29 ARG C . 34294 1 278 . 1 1 29 29 ARG CA C 13 61.075 0.300 . . . . . . A 29 ARG CA . 34294 1 279 . 1 1 29 29 ARG CB C 13 31.546 0.300 . . . . . . A 29 ARG CB . 34294 1 280 . 1 1 29 29 ARG CG C 13 27.208 0.300 . . . . . . A 29 ARG CG . 34294 1 281 . 1 1 29 29 ARG CD C 13 42.936 0.300 . . . . . . A 29 ARG CD . 34294 1 282 . 1 1 29 29 ARG N N 15 122.094 0.300 . . . . . . A 29 ARG N . 34294 1 283 . 1 1 29 29 ARG NE N 15 84.083 0.300 . . . . . . A 29 ARG NE . 34294 1 284 . 1 1 30 30 GLU H H 1 8.454 0.020 . . . . . . A 30 GLU H . 34294 1 285 . 1 1 30 30 GLU HA H 1 3.936 0.020 . . . . . . A 30 GLU HA . 34294 1 286 . 1 1 30 30 GLU HB2 H 1 1.854 0.020 . . . . . . A 30 GLU HB2 . 34294 1 287 . 1 1 30 30 GLU HB3 H 1 2.052 0.020 . . . . . . A 30 GLU HB3 . 34294 1 288 . 1 1 30 30 GLU HG2 H 1 2.420 0.020 . . . . . . A 30 GLU HG2 . 34294 1 289 . 1 1 30 30 GLU HG3 H 1 2.318 0.020 . . . . . . A 30 GLU HG3 . 34294 1 290 . 1 1 30 30 GLU C C 13 178.719 0.300 . . . . . . A 30 GLU C . 34294 1 291 . 1 1 30 30 GLU CA C 13 58.389 0.300 . . . . . . A 30 GLU CA . 34294 1 292 . 1 1 30 30 GLU CB C 13 27.771 0.300 . . . . . . A 30 GLU CB . 34294 1 293 . 1 1 30 30 GLU CG C 13 35.437 0.300 . . . . . . A 30 GLU CG . 34294 1 294 . 1 1 30 30 GLU N N 15 114.266 0.300 . . . . . . A 30 GLU N . 34294 1 295 . 1 1 31 31 ALA H H 1 7.683 0.020 . . . . . . A 31 ALA H . 34294 1 296 . 1 1 31 31 ALA HA H 1 4.176 0.020 . . . . . . A 31 ALA HA . 34294 1 297 . 1 1 31 31 ALA HB1 H 1 1.261 0.020 . . . . . . A 31 ALA HB1 . 34294 1 298 . 1 1 31 31 ALA HB2 H 1 1.261 0.020 . . . . . . A 31 ALA HB2 . 34294 1 299 . 1 1 31 31 ALA HB3 H 1 1.261 0.020 . . . . . . A 31 ALA HB3 . 34294 1 300 . 1 1 31 31 ALA C C 13 179.062 0.300 . . . . . . A 31 ALA C . 34294 1 301 . 1 1 31 31 ALA CA C 13 54.413 0.300 . . . . . . A 31 ALA CA . 34294 1 302 . 1 1 31 31 ALA CB C 13 17.303 0.300 . . . . . . A 31 ALA CB . 34294 1 303 . 1 1 31 31 ALA N N 15 124.356 0.300 . . . . . . A 31 ALA N . 34294 1 304 . 1 1 32 32 ILE H H 1 8.274 0.020 . . . . . . A 32 ILE H . 34294 1 305 . 1 1 32 32 ILE HA H 1 3.408 0.020 . . . . . . A 32 ILE HA . 34294 1 306 . 1 1 32 32 ILE HB H 1 1.900 0.020 . . . . . . A 32 ILE HB . 34294 1 307 . 1 1 32 32 ILE HG12 H 1 0.786 0.020 . . . . . . A 32 ILE HG12 . 34294 1 308 . 1 1 32 32 ILE HG13 H 1 1.740 0.020 . . . . . . A 32 ILE HG13 . 34294 1 309 . 1 1 32 32 ILE HG21 H 1 0.934 0.020 . . . . . . A 32 ILE HG21 . 34294 1 310 . 1 1 32 32 ILE HG22 H 1 0.934 0.020 . . . . . . A 32 ILE HG22 . 34294 1 311 . 1 1 32 32 ILE HG23 H 1 0.934 0.020 . . . . . . A 32 ILE HG23 . 34294 1 312 . 1 1 32 32 ILE HD11 H 1 0.796 0.020 . . . . . . A 32 ILE HD11 . 34294 1 313 . 1 1 32 32 ILE HD12 H 1 0.796 0.020 . . . . . . A 32 ILE HD12 . 34294 1 314 . 1 1 32 32 ILE HD13 H 1 0.796 0.020 . . . . . . A 32 ILE HD13 . 34294 1 315 . 1 1 32 32 ILE C C 13 177.590 0.300 . . . . . . A 32 ILE C . 34294 1 316 . 1 1 32 32 ILE CA C 13 66.055 0.300 . . . . . . A 32 ILE CA . 34294 1 317 . 1 1 32 32 ILE CB C 13 37.118 0.300 . . . . . . A 32 ILE CB . 34294 1 318 . 1 1 32 32 ILE CG1 C 13 29.320 0.300 . . . . . . A 32 ILE CG1 . 34294 1 319 . 1 1 32 32 ILE CG2 C 13 19.725 0.300 . . . . . . A 32 ILE CG2 . 34294 1 320 . 1 1 32 32 ILE CD1 C 13 15.608 0.300 . . . . . . A 32 ILE CD1 . 34294 1 321 . 1 1 32 32 ILE N N 15 119.031 0.300 . . . . . . A 32 ILE N . 34294 1 322 . 1 1 33 33 VAL H H 1 8.117 0.020 . . . . . . A 33 VAL H . 34294 1 323 . 1 1 33 33 VAL HA H 1 3.497 0.020 . . . . . . A 33 VAL HA . 34294 1 324 . 1 1 33 33 VAL HB H 1 2.140 0.020 . . . . . . A 33 VAL HB . 34294 1 325 . 1 1 33 33 VAL HG11 H 1 0.983 0.020 . . . . . . A 33 VAL HG11 . 34294 1 326 . 1 1 33 33 VAL HG12 H 1 0.983 0.020 . . . . . . A 33 VAL HG12 . 34294 1 327 . 1 1 33 33 VAL HG13 H 1 0.983 0.020 . . . . . . A 33 VAL HG13 . 34294 1 328 . 1 1 33 33 VAL HG21 H 1 0.922 0.020 . . . . . . A 33 VAL HG21 . 34294 1 329 . 1 1 33 33 VAL HG22 H 1 0.922 0.020 . . . . . . A 33 VAL HG22 . 34294 1 330 . 1 1 33 33 VAL HG23 H 1 0.922 0.020 . . . . . . A 33 VAL HG23 . 34294 1 331 . 1 1 33 33 VAL C C 13 177.034 0.300 . . . . . . A 33 VAL C . 34294 1 332 . 1 1 33 33 VAL CA C 13 66.507 0.300 . . . . . . A 33 VAL CA . 34294 1 333 . 1 1 33 33 VAL CB C 13 31.098 0.300 . . . . . . A 33 VAL CB . 34294 1 334 . 1 1 33 33 VAL CG1 C 13 21.907 0.300 . . . . . . A 33 VAL CG1 . 34294 1 335 . 1 1 33 33 VAL CG2 C 13 22.831 0.300 . . . . . . A 33 VAL CG2 . 34294 1 336 . 1 1 33 33 VAL N N 15 118.940 0.300 . . . . . . A 33 VAL N . 34294 1 337 . 1 1 34 34 SER H H 1 7.775 0.020 . . . . . . A 34 SER H . 34294 1 338 . 1 1 34 34 SER HA H 1 4.269 0.020 . . . . . . A 34 SER HA . 34294 1 339 . 1 1 34 34 SER HB2 H 1 4.037 0.020 . . . . . . A 34 SER HB2 . 34294 1 340 . 1 1 34 34 SER HB3 H 1 3.955 0.020 . . . . . . A 34 SER HB3 . 34294 1 341 . 1 1 34 34 SER C C 13 175.955 0.300 . . . . . . A 34 SER C . 34294 1 342 . 1 1 34 34 SER CA C 13 61.128 0.300 . . . . . . A 34 SER CA . 34294 1 343 . 1 1 34 34 SER CB C 13 63.352 0.300 . . . . . . A 34 SER CB . 34294 1 344 . 1 1 34 34 SER N N 15 111.077 0.300 . . . . . . A 34 SER N . 34294 1 345 . 1 1 35 35 GLN H H 1 8.115 0.020 . . . . . . A 35 GLN H . 34294 1 346 . 1 1 35 35 GLN HA H 1 4.310 0.020 . . . . . . A 35 GLN HA . 34294 1 347 . 1 1 35 35 GLN HB2 H 1 2.123 0.020 . . . . . . A 35 GLN HB2 . 34294 1 348 . 1 1 35 35 GLN HB3 H 1 1.760 0.020 . . . . . . A 35 GLN HB3 . 34294 1 349 . 1 1 35 35 GLN HG2 H 1 2.561 0.020 . . . . . . A 35 GLN HG2 . 34294 1 350 . 1 1 35 35 GLN HG3 H 1 2.276 0.020 . . . . . . A 35 GLN HG3 . 34294 1 351 . 1 1 35 35 GLN HE21 H 1 7.189 0.020 . . . . . . A 35 GLN HE21 . 34294 1 352 . 1 1 35 35 GLN HE22 H 1 6.132 0.020 . . . . . . A 35 GLN HE22 . 34294 1 353 . 1 1 35 35 GLN C C 13 177.950 0.300 . . . . . . A 35 GLN C . 34294 1 354 . 1 1 35 35 GLN CA C 13 57.186 0.300 . . . . . . A 35 GLN CA . 34294 1 355 . 1 1 35 35 GLN CB C 13 30.944 0.300 . . . . . . A 35 GLN CB . 34294 1 356 . 1 1 35 35 GLN CG C 13 33.871 0.300 . . . . . . A 35 GLN CG . 34294 1 357 . 1 1 35 35 GLN N N 15 115.540 0.300 . . . . . . A 35 GLN N . 34294 1 358 . 1 1 35 35 GLN NE2 N 15 108.621 0.300 . . . . . . A 35 GLN NE2 . 34294 1 359 . 1 1 36 36 MET H H 1 8.955 0.020 . . . . . . A 36 MET H . 34294 1 360 . 1 1 36 36 MET HA H 1 4.149 0.020 . . . . . . A 36 MET HA . 34294 1 361 . 1 1 36 36 MET HB2 H 1 2.103 0.020 . . . . . . A 36 MET HB2 . 34294 1 362 . 1 1 36 36 MET HB3 H 1 1.928 0.020 . . . . . . A 36 MET HB3 . 34294 1 363 . 1 1 36 36 MET HG2 H 1 2.869 0.020 . . . . . . A 36 MET HG2 . 34294 1 364 . 1 1 36 36 MET HG3 H 1 2.449 0.020 . . . . . . A 36 MET HG3 . 34294 1 365 . 1 1 36 36 MET HE1 H 1 1.901 0.020 . . . . . . A 36 MET HE1 . 34294 1 366 . 1 1 36 36 MET HE2 H 1 1.901 0.020 . . . . . . A 36 MET HE2 . 34294 1 367 . 1 1 36 36 MET HE3 H 1 1.901 0.020 . . . . . . A 36 MET HE3 . 34294 1 368 . 1 1 36 36 MET C C 13 175.726 0.300 . . . . . . A 36 MET C . 34294 1 369 . 1 1 36 36 MET CA C 13 57.661 0.300 . . . . . . A 36 MET CA . 34294 1 370 . 1 1 36 36 MET CB C 13 32.605 0.300 . . . . . . A 36 MET CB . 34294 1 371 . 1 1 36 36 MET CG C 13 30.601 0.300 . . . . . . A 36 MET CG . 34294 1 372 . 1 1 36 36 MET CE C 13 16.219 0.300 . . . . . . A 36 MET CE . 34294 1 373 . 1 1 36 36 MET N N 15 122.150 0.300 . . . . . . A 36 MET N . 34294 1 374 . 1 1 37 37 THR H H 1 9.105 0.020 . . . . . . A 37 THR H . 34294 1 375 . 1 1 37 37 THR HA H 1 4.255 0.020 . . . . . . A 37 THR HA . 34294 1 376 . 1 1 37 37 THR HB H 1 4.787 0.020 . . . . . . A 37 THR HB . 34294 1 377 . 1 1 37 37 THR HG1 H 1 5.664 0.020 . . . . . . A 37 THR HG1 . 34294 1 378 . 1 1 37 37 THR HG21 H 1 1.455 0.020 . . . . . . A 37 THR HG21 . 34294 1 379 . 1 1 37 37 THR HG22 H 1 1.455 0.020 . . . . . . A 37 THR HG22 . 34294 1 380 . 1 1 37 37 THR HG23 H 1 1.455 0.020 . . . . . . A 37 THR HG23 . 34294 1 381 . 1 1 37 37 THR C C 13 174.892 0.300 . . . . . . A 37 THR C . 34294 1 382 . 1 1 37 37 THR CA C 13 61.281 0.300 . . . . . . A 37 THR CA . 34294 1 383 . 1 1 37 37 THR CB C 13 70.707 0.300 . . . . . . A 37 THR CB . 34294 1 384 . 1 1 37 37 THR CG2 C 13 21.426 0.300 . . . . . . A 37 THR CG2 . 34294 1 385 . 1 1 37 37 THR N N 15 119.772 0.300 . . . . . . A 37 THR N . 34294 1 386 . 1 1 38 38 GLU H H 1 9.159 0.020 . . . . . . A 38 GLU H . 34294 1 387 . 1 1 38 38 GLU HA H 1 3.829 0.020 . . . . . . A 38 GLU HA . 34294 1 388 . 1 1 38 38 GLU HB2 H 1 2.063 0.020 . . . . . . A 38 GLU HB2 . 34294 1 389 . 1 1 38 38 GLU HB3 H 1 2.063 0.020 . . . . . . A 38 GLU HB3 . 34294 1 390 . 1 1 38 38 GLU HG2 H 1 2.328 0.020 . . . . . . A 38 GLU HG2 . 34294 1 391 . 1 1 38 38 GLU HG3 H 1 2.328 0.020 . . . . . . A 38 GLU HG3 . 34294 1 392 . 1 1 38 38 GLU C C 13 177.639 0.300 . . . . . . A 38 GLU C . 34294 1 393 . 1 1 38 38 GLU CA C 13 59.578 0.300 . . . . . . A 38 GLU CA . 34294 1 394 . 1 1 38 38 GLU CB C 13 28.063 0.300 . . . . . . A 38 GLU CB . 34294 1 395 . 1 1 38 38 GLU CG C 13 35.580 0.300 . . . . . . A 38 GLU CG . 34294 1 396 . 1 1 38 38 GLU N N 15 121.167 0.300 . . . . . . A 38 GLU N . 34294 1 397 . 1 1 39 39 ALA H H 1 8.354 0.020 . . . . . . A 39 ALA H . 34294 1 398 . 1 1 39 39 ALA HA H 1 4.202 0.020 . . . . . . A 39 ALA HA . 34294 1 399 . 1 1 39 39 ALA HB1 H 1 1.394 0.020 . . . . . . A 39 ALA HB1 . 34294 1 400 . 1 1 39 39 ALA HB2 H 1 1.394 0.020 . . . . . . A 39 ALA HB2 . 34294 1 401 . 1 1 39 39 ALA HB3 H 1 1.394 0.020 . . . . . . A 39 ALA HB3 . 34294 1 402 . 1 1 39 39 ALA C C 13 178.898 0.300 . . . . . . A 39 ALA C . 34294 1 403 . 1 1 39 39 ALA CA C 13 54.806 0.300 . . . . . . A 39 ALA CA . 34294 1 404 . 1 1 39 39 ALA CB C 13 17.536 0.300 . . . . . . A 39 ALA CB . 34294 1 405 . 1 1 39 39 ALA N N 15 120.042 0.300 . . . . . . A 39 ALA N . 34294 1 406 . 1 1 40 40 CYS H H 1 8.036 0.020 . . . . . . A 40 CYS H . 34294 1 407 . 1 1 40 40 CYS HA H 1 3.757 0.020 . . . . . . A 40 CYS HA . 34294 1 408 . 1 1 40 40 CYS HB2 H 1 2.999 0.020 . . . . . . A 40 CYS HB2 . 34294 1 409 . 1 1 40 40 CYS HB3 H 1 2.704 0.020 . . . . . . A 40 CYS HB3 . 34294 1 410 . 1 1 40 40 CYS C C 13 177.459 0.300 . . . . . . A 40 CYS C . 34294 1 411 . 1 1 40 40 CYS CA C 13 61.905 0.300 . . . . . . A 40 CYS CA . 34294 1 412 . 1 1 40 40 CYS CB C 13 26.540 0.300 . . . . . . A 40 CYS CB . 34294 1 413 . 1 1 40 40 CYS N N 15 119.235 0.300 . . . . . . A 40 CYS N . 34294 1 414 . 1 1 41 41 LEU H H 1 8.603 0.020 . . . . . . A 41 LEU H . 34294 1 415 . 1 1 41 41 LEU HA H 1 4.005 0.020 . . . . . . A 41 LEU HA . 34294 1 416 . 1 1 41 41 LEU HB2 H 1 2.108 0.020 . . . . . . A 41 LEU HB2 . 34294 1 417 . 1 1 41 41 LEU HB3 H 1 1.451 0.020 . . . . . . A 41 LEU HB3 . 34294 1 418 . 1 1 41 41 LEU HG H 1 1.565 0.020 . . . . . . A 41 LEU HG . 34294 1 419 . 1 1 41 41 LEU HD11 H 1 0.877 0.020 . . . . . . A 41 LEU HD11 . 34294 1 420 . 1 1 41 41 LEU HD12 H 1 0.877 0.020 . . . . . . A 41 LEU HD12 . 34294 1 421 . 1 1 41 41 LEU HD13 H 1 0.877 0.020 . . . . . . A 41 LEU HD13 . 34294 1 422 . 1 1 41 41 LEU HD21 H 1 0.830 0.020 . . . . . . A 41 LEU HD21 . 34294 1 423 . 1 1 41 41 LEU HD22 H 1 0.830 0.020 . . . . . . A 41 LEU HD22 . 34294 1 424 . 1 1 41 41 LEU HD23 H 1 0.830 0.020 . . . . . . A 41 LEU HD23 . 34294 1 425 . 1 1 41 41 LEU C C 13 177.590 0.300 . . . . . . A 41 LEU C . 34294 1 426 . 1 1 41 41 LEU CA C 13 58.520 0.300 . . . . . . A 41 LEU CA . 34294 1 427 . 1 1 41 41 LEU CB C 13 40.494 0.300 . . . . . . A 41 LEU CB . 34294 1 428 . 1 1 41 41 LEU CG C 13 26.930 0.300 . . . . . . A 41 LEU CG . 34294 1 429 . 1 1 41 41 LEU CD1 C 13 26.409 0.300 . . . . . . A 41 LEU CD1 . 34294 1 430 . 1 1 41 41 LEU CD2 C 13 24.009 0.300 . . . . . . A 41 LEU CD2 . 34294 1 431 . 1 1 41 41 LEU N N 15 124.763 0.300 . . . . . . A 41 LEU N . 34294 1 432 . 1 1 42 42 ASN H H 1 8.616 0.020 . . . . . . A 42 ASN H . 34294 1 433 . 1 1 42 42 ASN HA H 1 4.383 0.020 . . . . . . A 42 ASN HA . 34294 1 434 . 1 1 42 42 ASN HB2 H 1 2.882 0.020 . . . . . . A 42 ASN HB2 . 34294 1 435 . 1 1 42 42 ASN HB3 H 1 2.882 0.020 . . . . . . A 42 ASN HB3 . 34294 1 436 . 1 1 42 42 ASN HD21 H 1 7.422 0.020 . . . . . . A 42 ASN HD21 . 34294 1 437 . 1 1 42 42 ASN HD22 H 1 6.934 0.020 . . . . . . A 42 ASN HD22 . 34294 1 438 . 1 1 42 42 ASN C C 13 177.786 0.300 . . . . . . A 42 ASN C . 34294 1 439 . 1 1 42 42 ASN CA C 13 56.314 0.300 . . . . . . A 42 ASN CA . 34294 1 440 . 1 1 42 42 ASN CB C 13 37.400 0.300 . . . . . . A 42 ASN CB . 34294 1 441 . 1 1 42 42 ASN N N 15 118.844 0.300 . . . . . . A 42 ASN N . 34294 1 442 . 1 1 42 42 ASN ND2 N 15 111.475 0.300 . . . . . . A 42 ASN ND2 . 34294 1 443 . 1 1 43 43 GLN H H 1 8.527 0.020 . . . . . . A 43 GLN H . 34294 1 444 . 1 1 43 43 GLN HA H 1 4.144 0.020 . . . . . . A 43 GLN HA . 34294 1 445 . 1 1 43 43 GLN HB2 H 1 1.966 0.020 . . . . . . A 43 GLN HB2 . 34294 1 446 . 1 1 43 43 GLN HB3 H 1 2.110 0.020 . . . . . . A 43 GLN HB3 . 34294 1 447 . 1 1 43 43 GLN HG2 H 1 2.792 0.020 . . . . . . A 43 GLN HG2 . 34294 1 448 . 1 1 43 43 GLN HG3 H 1 2.480 0.020 . . . . . . A 43 GLN HG3 . 34294 1 449 . 1 1 43 43 GLN HE21 H 1 7.408 0.020 . . . . . . A 43 GLN HE21 . 34294 1 450 . 1 1 43 43 GLN HE22 H 1 6.889 0.020 . . . . . . A 43 GLN HE22 . 34294 1 451 . 1 1 43 43 GLN C C 13 180.174 0.300 . . . . . . A 43 GLN C . 34294 1 452 . 1 1 43 43 GLN CA C 13 58.544 0.300 . . . . . . A 43 GLN CA . 34294 1 453 . 1 1 43 43 GLN CB C 13 28.556 0.300 . . . . . . A 43 GLN CB . 34294 1 454 . 1 1 43 43 GLN CG C 13 33.531 0.300 . . . . . . A 43 GLN CG . 34294 1 455 . 1 1 43 43 GLN N N 15 118.615 0.300 . . . . . . A 43 GLN N . 34294 1 456 . 1 1 43 43 GLN NE2 N 15 111.019 0.300 . . . . . . A 43 GLN NE2 . 34294 1 457 . 1 1 44 44 SER H H 1 8.657 0.020 . . . . . . A 44 SER H . 34294 1 458 . 1 1 44 44 SER HA H 1 3.934 0.020 . . . . . . A 44 SER HA . 34294 1 459 . 1 1 44 44 SER HB2 H 1 4.267 0.020 . . . . . . A 44 SER HB2 . 34294 1 460 . 1 1 44 44 SER HB3 H 1 3.389 0.020 . . . . . . A 44 SER HB3 . 34294 1 461 . 1 1 44 44 SER C C 13 174.385 0.300 . . . . . . A 44 SER C . 34294 1 462 . 1 1 44 44 SER CA C 13 63.510 0.300 . . . . . . A 44 SER CA . 34294 1 463 . 1 1 44 44 SER CB C 13 62.325 0.300 . . . . . . A 44 SER CB . 34294 1 464 . 1 1 44 44 SER N N 15 118.425 0.300 . . . . . . A 44 SER N . 34294 1 465 . 1 1 45 45 LEU H H 1 8.377 0.020 . . . . . . A 45 LEU H . 34294 1 466 . 1 1 45 45 LEU HA H 1 3.876 0.020 . . . . . . A 45 LEU HA . 34294 1 467 . 1 1 45 45 LEU HB2 H 1 2.059 0.020 . . . . . . A 45 LEU HB2 . 34294 1 468 . 1 1 45 45 LEU HB3 H 1 1.501 0.020 . . . . . . A 45 LEU HB3 . 34294 1 469 . 1 1 45 45 LEU HG H 1 1.816 0.020 . . . . . . A 45 LEU HG . 34294 1 470 . 1 1 45 45 LEU HD11 H 1 0.747 0.020 . . . . . . A 45 LEU HD11 . 34294 1 471 . 1 1 45 45 LEU HD12 H 1 0.747 0.020 . . . . . . A 45 LEU HD12 . 34294 1 472 . 1 1 45 45 LEU HD13 H 1 0.747 0.020 . . . . . . A 45 LEU HD13 . 34294 1 473 . 1 1 45 45 LEU HD21 H 1 0.730 0.020 . . . . . . A 45 LEU HD21 . 34294 1 474 . 1 1 45 45 LEU HD22 H 1 0.730 0.020 . . . . . . A 45 LEU HD22 . 34294 1 475 . 1 1 45 45 LEU HD23 H 1 0.730 0.020 . . . . . . A 45 LEU HD23 . 34294 1 476 . 1 1 45 45 LEU C C 13 177.917 0.300 . . . . . . A 45 LEU C . 34294 1 477 . 1 1 45 45 LEU CA C 13 58.168 0.300 . . . . . . A 45 LEU CA . 34294 1 478 . 1 1 45 45 LEU CB C 13 40.900 0.300 . . . . . . A 45 LEU CB . 34294 1 479 . 1 1 45 45 LEU CG C 13 26.246 0.300 . . . . . . A 45 LEU CG . 34294 1 480 . 1 1 45 45 LEU CD1 C 13 23.054 0.300 . . . . . . A 45 LEU CD1 . 34294 1 481 . 1 1 45 45 LEU CD2 C 13 24.837 0.300 . . . . . . A 45 LEU CD2 . 34294 1 482 . 1 1 45 45 LEU N N 15 121.514 0.300 . . . . . . A 45 LEU N . 34294 1 483 . 1 1 46 46 ASP H H 1 8.171 0.020 . . . . . . A 46 ASP H . 34294 1 484 . 1 1 46 46 ASP HA H 1 4.470 0.020 . . . . . . A 46 ASP HA . 34294 1 485 . 1 1 46 46 ASP HB2 H 1 2.754 0.020 . . . . . . A 46 ASP HB2 . 34294 1 486 . 1 1 46 46 ASP HB3 H 1 2.754 0.020 . . . . . . A 46 ASP HB3 . 34294 1 487 . 1 1 46 46 ASP C C 13 178.326 0.300 . . . . . . A 46 ASP C . 34294 1 488 . 1 1 46 46 ASP CA C 13 56.818 0.300 . . . . . . A 46 ASP CA . 34294 1 489 . 1 1 46 46 ASP CB C 13 39.365 0.300 . . . . . . A 46 ASP CB . 34294 1 490 . 1 1 46 46 ASP N N 15 117.496 0.300 . . . . . . A 46 ASP N . 34294 1 491 . 1 1 47 47 ALA H H 1 7.998 0.020 . . . . . . A 47 ALA H . 34294 1 492 . 1 1 47 47 ALA HA H 1 4.166 0.020 . . . . . . A 47 ALA HA . 34294 1 493 . 1 1 47 47 ALA HB1 H 1 1.399 0.020 . . . . . . A 47 ALA HB1 . 34294 1 494 . 1 1 47 47 ALA HB2 H 1 1.399 0.020 . . . . . . A 47 ALA HB2 . 34294 1 495 . 1 1 47 47 ALA HB3 H 1 1.399 0.020 . . . . . . A 47 ALA HB3 . 34294 1 496 . 1 1 47 47 ALA C C 13 179.667 0.300 . . . . . . A 47 ALA C . 34294 1 497 . 1 1 47 47 ALA CA C 13 54.468 0.300 . . . . . . A 47 ALA CA . 34294 1 498 . 1 1 47 47 ALA CB C 13 18.362 0.300 . . . . . . A 47 ALA CB . 34294 1 499 . 1 1 47 47 ALA N N 15 123.457 0.300 . . . . . . A 47 ALA N . 34294 1 500 . 1 1 48 48 LEU H H 1 8.413 0.020 . . . . . . A 48 LEU H . 34294 1 501 . 1 1 48 48 LEU HA H 1 3.775 0.020 . . . . . . A 48 LEU HA . 34294 1 502 . 1 1 48 48 LEU HB2 H 1 1.878 0.020 . . . . . . A 48 LEU HB2 . 34294 1 503 . 1 1 48 48 LEU HB3 H 1 0.848 0.020 . . . . . . A 48 LEU HB3 . 34294 1 504 . 1 1 48 48 LEU HG H 1 1.640 0.020 . . . . . . A 48 LEU HG . 34294 1 505 . 1 1 48 48 LEU HD11 H 1 0.115 0.020 . . . . . . A 48 LEU HD11 . 34294 1 506 . 1 1 48 48 LEU HD12 H 1 0.115 0.020 . . . . . . A 48 LEU HD12 . 34294 1 507 . 1 1 48 48 LEU HD13 H 1 0.115 0.020 . . . . . . A 48 LEU HD13 . 34294 1 508 . 1 1 48 48 LEU HD21 H 1 0.193 0.020 . . . . . . A 48 LEU HD21 . 34294 1 509 . 1 1 48 48 LEU HD22 H 1 0.193 0.020 . . . . . . A 48 LEU HD22 . 34294 1 510 . 1 1 48 48 LEU HD23 H 1 0.193 0.020 . . . . . . A 48 LEU HD23 . 34294 1 511 . 1 1 48 48 LEU C C 13 179.176 0.300 . . . . . . A 48 LEU C . 34294 1 512 . 1 1 48 48 LEU CA C 13 57.768 0.300 . . . . . . A 48 LEU CA . 34294 1 513 . 1 1 48 48 LEU CB C 13 41.669 0.300 . . . . . . A 48 LEU CB . 34294 1 514 . 1 1 48 48 LEU CG C 13 25.849 0.300 . . . . . . A 48 LEU CG . 34294 1 515 . 1 1 48 48 LEU CD1 C 13 25.709 0.300 . . . . . . A 48 LEU CD1 . 34294 1 516 . 1 1 48 48 LEU CD2 C 13 23.037 0.300 . . . . . . A 48 LEU CD2 . 34294 1 517 . 1 1 48 48 LEU N N 15 118.854 0.300 . . . . . . A 48 LEU N . 34294 1 518 . 1 1 49 49 LEU H H 1 8.481 0.020 . . . . . . A 49 LEU H . 34294 1 519 . 1 1 49 49 LEU HA H 1 4.143 0.020 . . . . . . A 49 LEU HA . 34294 1 520 . 1 1 49 49 LEU HB2 H 1 1.686 0.020 . . . . . . A 49 LEU HB2 . 34294 1 521 . 1 1 49 49 LEU HB3 H 1 1.686 0.020 . . . . . . A 49 LEU HB3 . 34294 1 522 . 1 1 49 49 LEU HG H 1 1.475 0.020 . . . . . . A 49 LEU HG . 34294 1 523 . 1 1 49 49 LEU HD11 H 1 0.480 0.020 . . . . . . A 49 LEU HD11 . 34294 1 524 . 1 1 49 49 LEU HD12 H 1 0.480 0.020 . . . . . . A 49 LEU HD12 . 34294 1 525 . 1 1 49 49 LEU HD13 H 1 0.480 0.020 . . . . . . A 49 LEU HD13 . 34294 1 526 . 1 1 49 49 LEU HD21 H 1 0.538 0.020 . . . . . . A 49 LEU HD21 . 34294 1 527 . 1 1 49 49 LEU HD22 H 1 0.538 0.020 . . . . . . A 49 LEU HD22 . 34294 1 528 . 1 1 49 49 LEU HD23 H 1 0.538 0.020 . . . . . . A 49 LEU HD23 . 34294 1 529 . 1 1 49 49 LEU C C 13 180.796 0.300 . . . . . . A 49 LEU C . 34294 1 530 . 1 1 49 49 LEU CA C 13 57.881 0.300 . . . . . . A 49 LEU CA . 34294 1 531 . 1 1 49 49 LEU CB C 13 41.872 0.300 . . . . . . A 49 LEU CB . 34294 1 532 . 1 1 49 49 LEU CG C 13 26.104 0.300 . . . . . . A 49 LEU CG . 34294 1 533 . 1 1 49 49 LEU CD1 C 13 23.718 0.300 . . . . . . A 49 LEU CD1 . 34294 1 534 . 1 1 49 49 LEU CD2 C 13 23.688 0.300 . . . . . . A 49 LEU CD2 . 34294 1 535 . 1 1 49 49 LEU N N 15 121.470 0.300 . . . . . . A 49 LEU N . 34294 1 536 . 1 1 50 50 SER H H 1 8.311 0.020 . . . . . . A 50 SER H . 34294 1 537 . 1 1 50 50 SER HA H 1 4.205 0.020 . . . . . . A 50 SER HA . 34294 1 538 . 1 1 50 50 SER HB2 H 1 4.016 0.020 . . . . . . A 50 SER HB2 . 34294 1 539 . 1 1 50 50 SER HB3 H 1 3.998 0.020 . . . . . . A 50 SER HB3 . 34294 1 540 . 1 1 50 50 SER C C 13 175.284 0.300 . . . . . . A 50 SER C . 34294 1 541 . 1 1 50 50 SER CA C 13 61.180 0.300 . . . . . . A 50 SER CA . 34294 1 542 . 1 1 50 50 SER CB C 13 62.532 0.300 . . . . . . A 50 SER CB . 34294 1 543 . 1 1 50 50 SER N N 15 116.026 0.300 . . . . . . A 50 SER N . 34294 1 544 . 1 1 51 51 ARG H H 1 7.260 0.020 . . . . . . A 51 ARG H . 34294 1 545 . 1 1 51 51 ARG HA H 1 4.382 0.020 . . . . . . A 51 ARG HA . 34294 1 546 . 1 1 51 51 ARG HB2 H 1 1.456 0.020 . . . . . . A 51 ARG HB2 . 34294 1 547 . 1 1 51 51 ARG HB3 H 1 2.180 0.020 . . . . . . A 51 ARG HB3 . 34294 1 548 . 1 1 51 51 ARG HG2 H 1 1.645 0.020 . . . . . . A 51 ARG HG2 . 34294 1 549 . 1 1 51 51 ARG HG3 H 1 1.820 0.020 . . . . . . A 51 ARG HG3 . 34294 1 550 . 1 1 51 51 ARG HD2 H 1 3.063 0.020 . . . . . . A 51 ARG HD2 . 34294 1 551 . 1 1 51 51 ARG HD3 H 1 3.063 0.020 . . . . . . A 51 ARG HD3 . 34294 1 552 . 1 1 51 51 ARG HE H 1 7.322 0.020 . . . . . . A 51 ARG HE . 34294 1 553 . 1 1 51 51 ARG HH21 H 1 6.747 0.020 . . . . . . A 51 ARG HH21 . 34294 1 554 . 1 1 51 51 ARG C C 13 174.385 0.300 . . . . . . A 51 ARG C . 34294 1 555 . 1 1 51 51 ARG CA C 13 55.051 0.300 . . . . . . A 51 ARG CA . 34294 1 556 . 1 1 51 51 ARG CB C 13 30.498 0.300 . . . . . . A 51 ARG CB . 34294 1 557 . 1 1 51 51 ARG CG C 13 27.224 0.300 . . . . . . A 51 ARG CG . 34294 1 558 . 1 1 51 51 ARG CD C 13 42.941 0.300 . . . . . . A 51 ARG CD . 34294 1 559 . 1 1 51 51 ARG CZ C 13 172.079 0.300 . . . . . . A 51 ARG CZ . 34294 1 560 . 1 1 51 51 ARG N N 15 117.875 0.300 . . . . . . A 51 ARG N . 34294 1 561 . 1 1 51 51 ARG NE N 15 84.130 0.300 . . . . . . A 51 ARG NE . 34294 1 562 . 1 1 52 52 ASP H H 1 8.154 0.020 . . . . . . A 52 ASP H . 34294 1 563 . 1 1 52 52 ASP HA H 1 4.545 0.020 . . . . . . A 52 ASP HA . 34294 1 564 . 1 1 52 52 ASP HB2 H 1 3.227 0.020 . . . . . . A 52 ASP HB2 . 34294 1 565 . 1 1 52 52 ASP HB3 H 1 2.801 0.020 . . . . . . A 52 ASP HB3 . 34294 1 566 . 1 1 52 52 ASP C C 13 174.548 0.300 . . . . . . A 52 ASP C . 34294 1 567 . 1 1 52 52 ASP CA C 13 54.441 0.300 . . . . . . A 52 ASP CA . 34294 1 568 . 1 1 52 52 ASP CB C 13 37.006 0.300 . . . . . . A 52 ASP CB . 34294 1 569 . 1 1 52 52 ASP N N 15 116.389 0.300 . . . . . . A 52 ASP N . 34294 1 570 . 1 1 53 53 LEU H H 1 8.341 0.020 . . . . . . A 53 LEU H . 34294 1 571 . 1 1 53 53 LEU HA H 1 4.500 0.020 . . . . . . A 53 LEU HA . 34294 1 572 . 1 1 53 53 LEU HB2 H 1 1.594 0.020 . . . . . . A 53 LEU HB2 . 34294 1 573 . 1 1 53 53 LEU HB3 H 1 1.594 0.020 . . . . . . A 53 LEU HB3 . 34294 1 574 . 1 1 53 53 LEU HG H 1 1.585 0.020 . . . . . . A 53 LEU HG . 34294 1 575 . 1 1 53 53 LEU HD11 H 1 0.780 0.020 . . . . . . A 53 LEU HD11 . 34294 1 576 . 1 1 53 53 LEU HD12 H 1 0.780 0.020 . . . . . . A 53 LEU HD12 . 34294 1 577 . 1 1 53 53 LEU HD13 H 1 0.780 0.020 . . . . . . A 53 LEU HD13 . 34294 1 578 . 1 1 53 53 LEU HD21 H 1 0.921 0.020 . . . . . . A 53 LEU HD21 . 34294 1 579 . 1 1 53 53 LEU HD22 H 1 0.921 0.020 . . . . . . A 53 LEU HD22 . 34294 1 580 . 1 1 53 53 LEU HD23 H 1 0.921 0.020 . . . . . . A 53 LEU HD23 . 34294 1 581 . 1 1 53 53 LEU C C 13 175.300 0.300 . . . . . . A 53 LEU C . 34294 1 582 . 1 1 53 53 LEU CA C 13 54.522 0.300 . . . . . . A 53 LEU CA . 34294 1 583 . 1 1 53 53 LEU CB C 13 44.455 0.300 . . . . . . A 53 LEU CB . 34294 1 584 . 1 1 53 53 LEU CG C 13 26.214 0.300 . . . . . . A 53 LEU CG . 34294 1 585 . 1 1 53 53 LEU CD1 C 13 26.549 0.300 . . . . . . A 53 LEU CD1 . 34294 1 586 . 1 1 53 53 LEU CD2 C 13 22.521 0.300 . . . . . . A 53 LEU CD2 . 34294 1 587 . 1 1 53 53 LEU N N 15 114.400 0.300 . . . . . . A 53 LEU N . 34294 1 588 . 1 1 54 54 ILE H H 1 7.170 0.020 . . . . . . A 54 ILE H . 34294 1 589 . 1 1 54 54 ILE HA H 1 5.007 0.020 . . . . . . A 54 ILE HA . 34294 1 590 . 1 1 54 54 ILE HB H 1 1.657 0.020 . . . . . . A 54 ILE HB . 34294 1 591 . 1 1 54 54 ILE HG12 H 1 1.716 0.020 . . . . . . A 54 ILE HG12 . 34294 1 592 . 1 1 54 54 ILE HG13 H 1 2.074 0.020 . . . . . . A 54 ILE HG13 . 34294 1 593 . 1 1 54 54 ILE HG21 H 1 0.819 0.020 . . . . . . A 54 ILE HG21 . 34294 1 594 . 1 1 54 54 ILE HG22 H 1 0.819 0.020 . . . . . . A 54 ILE HG22 . 34294 1 595 . 1 1 54 54 ILE HG23 H 1 0.819 0.020 . . . . . . A 54 ILE HG23 . 34294 1 596 . 1 1 54 54 ILE HD11 H 1 0.930 0.020 . . . . . . A 54 ILE HD11 . 34294 1 597 . 1 1 54 54 ILE HD12 H 1 0.930 0.020 . . . . . . A 54 ILE HD12 . 34294 1 598 . 1 1 54 54 ILE HD13 H 1 0.930 0.020 . . . . . . A 54 ILE HD13 . 34294 1 599 . 1 1 54 54 ILE C C 13 172.488 0.300 . . . . . . A 54 ILE C . 34294 1 600 . 1 1 54 54 ILE CA C 13 57.469 0.300 . . . . . . A 54 ILE CA . 34294 1 601 . 1 1 54 54 ILE CB C 13 42.208 0.300 . . . . . . A 54 ILE CB . 34294 1 602 . 1 1 54 54 ILE CG1 C 13 28.643 0.300 . . . . . . A 54 ILE CG1 . 34294 1 603 . 1 1 54 54 ILE CG2 C 13 15.750 0.300 . . . . . . A 54 ILE CG2 . 34294 1 604 . 1 1 54 54 ILE CD1 C 13 14.000 0.300 . . . . . . A 54 ILE CD1 . 34294 1 605 . 1 1 54 54 ILE N N 15 114.582 0.300 . . . . . . A 54 ILE N . 34294 1 606 . 1 1 55 55 MET H H 1 9.450 0.020 . . . . . . A 55 MET H . 34294 1 607 . 1 1 55 55 MET HA H 1 4.618 0.020 . . . . . . A 55 MET HA . 34294 1 608 . 1 1 55 55 MET HB2 H 1 2.157 0.020 . . . . . . A 55 MET HB2 . 34294 1 609 . 1 1 55 55 MET HB3 H 1 2.346 0.020 . . . . . . A 55 MET HB3 . 34294 1 610 . 1 1 55 55 MET HG2 H 1 2.642 0.020 . . . . . . A 55 MET HG2 . 34294 1 611 . 1 1 55 55 MET HG3 H 1 2.796 0.020 . . . . . . A 55 MET HG3 . 34294 1 612 . 1 1 55 55 MET HE1 H 1 2.095 0.020 . . . . . . A 55 MET HE1 . 34294 1 613 . 1 1 55 55 MET HE2 H 1 2.095 0.020 . . . . . . A 55 MET HE2 . 34294 1 614 . 1 1 55 55 MET HE3 H 1 2.095 0.020 . . . . . . A 55 MET HE3 . 34294 1 615 . 1 1 55 55 MET C C 13 177.884 0.300 . . . . . . A 55 MET C . 34294 1 616 . 1 1 55 55 MET CA C 13 54.277 0.300 . . . . . . A 55 MET CA . 34294 1 617 . 1 1 55 55 MET CB C 13 33.282 0.300 . . . . . . A 55 MET CB . 34294 1 618 . 1 1 55 55 MET CG C 13 32.297 0.300 . . . . . . A 55 MET CG . 34294 1 619 . 1 1 55 55 MET CE C 13 17.220 0.300 . . . . . . A 55 MET CE . 34294 1 620 . 1 1 55 55 MET N N 15 126.154 0.300 . . . . . . A 55 MET N . 34294 1 621 . 1 1 56 56 LYS H H 1 9.054 0.020 . . . . . . A 56 LYS H . 34294 1 622 . 1 1 56 56 LYS HA H 1 3.912 0.020 . . . . . . A 56 LYS HA . 34294 1 623 . 1 1 56 56 LYS HB2 H 1 1.929 0.020 . . . . . . A 56 LYS HB2 . 34294 1 624 . 1 1 56 56 LYS HB3 H 1 1.846 0.020 . . . . . . A 56 LYS HB3 . 34294 1 625 . 1 1 56 56 LYS HG2 H 1 1.467 0.020 . . . . . . A 56 LYS HG2 . 34294 1 626 . 1 1 56 56 LYS HG3 H 1 1.467 0.020 . . . . . . A 56 LYS HG3 . 34294 1 627 . 1 1 56 56 LYS HD2 H 1 1.679 0.020 . . . . . . A 56 LYS HD2 . 34294 1 628 . 1 1 56 56 LYS HD3 H 1 1.679 0.020 . . . . . . A 56 LYS HD3 . 34294 1 629 . 1 1 56 56 LYS HE2 H 1 2.957 0.020 . . . . . . A 56 LYS HE2 . 34294 1 630 . 1 1 56 56 LYS HE3 H 1 2.957 0.020 . . . . . . A 56 LYS HE3 . 34294 1 631 . 1 1 56 56 LYS C C 13 177.999 0.300 . . . . . . A 56 LYS C . 34294 1 632 . 1 1 56 56 LYS CA C 13 59.929 0.300 . . . . . . A 56 LYS CA . 34294 1 633 . 1 1 56 56 LYS CB C 13 31.567 0.300 . . . . . . A 56 LYS CB . 34294 1 634 . 1 1 56 56 LYS CG C 13 24.268 0.300 . . . . . . A 56 LYS CG . 34294 1 635 . 1 1 56 56 LYS CD C 13 28.711 0.300 . . . . . . A 56 LYS CD . 34294 1 636 . 1 1 56 56 LYS CE C 13 41.540 0.300 . . . . . . A 56 LYS CE . 34294 1 637 . 1 1 56 56 LYS N N 15 124.744 0.300 . . . . . . A 56 LYS N . 34294 1 638 . 1 1 57 57 GLU H H 1 9.316 0.020 . . . . . . A 57 GLU H . 34294 1 639 . 1 1 57 57 GLU HA H 1 4.125 0.020 . . . . . . A 57 GLU HA . 34294 1 640 . 1 1 57 57 GLU HB2 H 1 2.056 0.020 . . . . . . A 57 GLU HB2 . 34294 1 641 . 1 1 57 57 GLU HB3 H 1 1.977 0.020 . . . . . . A 57 GLU HB3 . 34294 1 642 . 1 1 57 57 GLU HG2 H 1 2.450 0.020 . . . . . . A 57 GLU HG2 . 34294 1 643 . 1 1 57 57 GLU HG3 H 1 2.370 0.020 . . . . . . A 57 GLU HG3 . 34294 1 644 . 1 1 57 57 GLU C C 13 178.506 0.300 . . . . . . A 57 GLU C . 34294 1 645 . 1 1 57 57 GLU CA C 13 59.506 0.300 . . . . . . A 57 GLU CA . 34294 1 646 . 1 1 57 57 GLU CB C 13 27.910 0.300 . . . . . . A 57 GLU CB . 34294 1 647 . 1 1 57 57 GLU CG C 13 34.838 0.300 . . . . . . A 57 GLU CG . 34294 1 648 . 1 1 57 57 GLU N N 15 116.759 0.300 . . . . . . A 57 GLU N . 34294 1 649 . 1 1 58 58 ASP H H 1 7.051 0.020 . . . . . . A 58 ASP H . 34294 1 650 . 1 1 58 58 ASP HA H 1 4.741 0.020 . . . . . . A 58 ASP HA . 34294 1 651 . 1 1 58 58 ASP HB2 H 1 2.800 0.020 . . . . . . A 58 ASP HB2 . 34294 1 652 . 1 1 58 58 ASP HB3 H 1 2.622 0.020 . . . . . . A 58 ASP HB3 . 34294 1 653 . 1 1 58 58 ASP C C 13 177.427 0.300 . . . . . . A 58 ASP C . 34294 1 654 . 1 1 58 58 ASP CA C 13 56.773 0.300 . . . . . . A 58 ASP CA . 34294 1 655 . 1 1 58 58 ASP CB C 13 40.278 0.300 . . . . . . A 58 ASP CB . 34294 1 656 . 1 1 58 58 ASP N N 15 118.546 0.300 . . . . . . A 58 ASP N . 34294 1 657 . 1 1 59 59 TYR H H 1 8.341 0.020 . . . . . . A 59 TYR H . 34294 1 658 . 1 1 59 59 TYR HA H 1 3.960 0.020 . . . . . . A 59 TYR HA . 34294 1 659 . 1 1 59 59 TYR HB2 H 1 2.799 0.020 . . . . . . A 59 TYR HB2 . 34294 1 660 . 1 1 59 59 TYR HB3 H 1 3.494 0.020 . . . . . . A 59 TYR HB3 . 34294 1 661 . 1 1 59 59 TYR HD1 H 1 6.923 0.020 . . . . . . A 59 TYR HD1 . 34294 1 662 . 1 1 59 59 TYR HD2 H 1 6.923 0.020 . . . . . . A 59 TYR HD2 . 34294 1 663 . 1 1 59 59 TYR HE1 H 1 6.804 0.020 . . . . . . A 59 TYR HE1 . 34294 1 664 . 1 1 59 59 TYR HE2 H 1 6.804 0.020 . . . . . . A 59 TYR HE2 . 34294 1 665 . 1 1 59 59 TYR C C 13 177.950 0.300 . . . . . . A 59 TYR C . 34294 1 666 . 1 1 59 59 TYR CA C 13 61.724 0.300 . . . . . . A 59 TYR CA . 34294 1 667 . 1 1 59 59 TYR CB C 13 38.105 0.300 . . . . . . A 59 TYR CB . 34294 1 668 . 1 1 59 59 TYR CD1 C 13 132.187 0.300 . . . . . . A 59 TYR CD1 . 34294 1 669 . 1 1 59 59 TYR CE1 C 13 118.414 0.300 . . . . . . A 59 TYR CE1 . 34294 1 670 . 1 1 59 59 TYR N N 15 121.792 0.300 . . . . . . A 59 TYR N . 34294 1 671 . 1 1 60 60 GLU H H 1 8.775 0.020 . . . . . . A 60 GLU H . 34294 1 672 . 1 1 60 60 GLU HA H 1 4.009 0.020 . . . . . . A 60 GLU HA . 34294 1 673 . 1 1 60 60 GLU HB2 H 1 2.159 0.020 . . . . . . A 60 GLU HB2 . 34294 1 674 . 1 1 60 60 GLU HB3 H 1 2.159 0.020 . . . . . . A 60 GLU HB3 . 34294 1 675 . 1 1 60 60 GLU HG2 H 1 2.531 0.020 . . . . . . A 60 GLU HG2 . 34294 1 676 . 1 1 60 60 GLU HG3 H 1 2.626 0.020 . . . . . . A 60 GLU HG3 . 34294 1 677 . 1 1 60 60 GLU C C 13 177.868 0.300 . . . . . . A 60 GLU C . 34294 1 678 . 1 1 60 60 GLU CA C 13 58.515 0.300 . . . . . . A 60 GLU CA . 34294 1 679 . 1 1 60 60 GLU CB C 13 27.848 0.300 . . . . . . A 60 GLU CB . 34294 1 680 . 1 1 60 60 GLU CG C 13 33.723 0.300 . . . . . . A 60 GLU CG . 34294 1 681 . 1 1 60 60 GLU N N 15 119.981 0.300 . . . . . . A 60 GLU N . 34294 1 682 . 1 1 61 61 LEU H H 1 7.855 0.020 . . . . . . A 61 LEU H . 34294 1 683 . 1 1 61 61 LEU HA H 1 4.016 0.020 . . . . . . A 61 LEU HA . 34294 1 684 . 1 1 61 61 LEU HB2 H 1 1.919 0.020 . . . . . . A 61 LEU HB2 . 34294 1 685 . 1 1 61 61 LEU HB3 H 1 1.739 0.020 . . . . . . A 61 LEU HB3 . 34294 1 686 . 1 1 61 61 LEU HG H 1 1.583 0.020 . . . . . . A 61 LEU HG . 34294 1 687 . 1 1 61 61 LEU HD11 H 1 0.924 0.020 . . . . . . A 61 LEU HD11 . 34294 1 688 . 1 1 61 61 LEU HD12 H 1 0.924 0.020 . . . . . . A 61 LEU HD12 . 34294 1 689 . 1 1 61 61 LEU HD13 H 1 0.924 0.020 . . . . . . A 61 LEU HD13 . 34294 1 690 . 1 1 61 61 LEU HD21 H 1 0.897 0.020 . . . . . . A 61 LEU HD21 . 34294 1 691 . 1 1 61 61 LEU HD22 H 1 0.897 0.020 . . . . . . A 61 LEU HD22 . 34294 1 692 . 1 1 61 61 LEU HD23 H 1 0.897 0.020 . . . . . . A 61 LEU HD23 . 34294 1 693 . 1 1 61 61 LEU C C 13 178.751 0.300 . . . . . . A 61 LEU C . 34294 1 694 . 1 1 61 61 LEU CA C 13 57.632 0.300 . . . . . . A 61 LEU CA . 34294 1 695 . 1 1 61 61 LEU CB C 13 41.961 0.300 . . . . . . A 61 LEU CB . 34294 1 696 . 1 1 61 61 LEU CG C 13 26.964 0.300 . . . . . . A 61 LEU CG . 34294 1 697 . 1 1 61 61 LEU CD1 C 13 23.684 0.300 . . . . . . A 61 LEU CD1 . 34294 1 698 . 1 1 61 61 LEU CD2 C 13 24.157 0.300 . . . . . . A 61 LEU CD2 . 34294 1 699 . 1 1 61 61 LEU N N 15 121.414 0.300 . . . . . . A 61 LEU N . 34294 1 700 . 1 1 62 62 ILE H H 1 7.833 0.020 . . . . . . A 62 ILE H . 34294 1 701 . 1 1 62 62 ILE HA H 1 3.423 0.020 . . . . . . A 62 ILE HA . 34294 1 702 . 1 1 62 62 ILE HB H 1 1.697 0.020 . . . . . . A 62 ILE HB . 34294 1 703 . 1 1 62 62 ILE HG12 H 1 0.656 0.020 . . . . . . A 62 ILE HG12 . 34294 1 704 . 1 1 62 62 ILE HG13 H 1 2.007 0.020 . . . . . . A 62 ILE HG13 . 34294 1 705 . 1 1 62 62 ILE HG21 H 1 0.929 0.020 . . . . . . A 62 ILE HG21 . 34294 1 706 . 1 1 62 62 ILE HG22 H 1 0.929 0.020 . . . . . . A 62 ILE HG22 . 34294 1 707 . 1 1 62 62 ILE HG23 H 1 0.929 0.020 . . . . . . A 62 ILE HG23 . 34294 1 708 . 1 1 62 62 ILE HD11 H 1 0.948 0.020 . . . . . . A 62 ILE HD11 . 34294 1 709 . 1 1 62 62 ILE HD12 H 1 0.948 0.020 . . . . . . A 62 ILE HD12 . 34294 1 710 . 1 1 62 62 ILE HD13 H 1 0.948 0.020 . . . . . . A 62 ILE HD13 . 34294 1 711 . 1 1 62 62 ILE C C 13 176.789 0.300 . . . . . . A 62 ILE C . 34294 1 712 . 1 1 62 62 ILE CA C 13 65.394 0.300 . . . . . . A 62 ILE CA . 34294 1 713 . 1 1 62 62 ILE CB C 13 38.651 0.300 . . . . . . A 62 ILE CB . 34294 1 714 . 1 1 62 62 ILE CG1 C 13 29.738 0.300 . . . . . . A 62 ILE CG1 . 34294 1 715 . 1 1 62 62 ILE CG2 C 13 18.006 0.300 . . . . . . A 62 ILE CG2 . 34294 1 716 . 1 1 62 62 ILE CD1 C 13 15.244 0.300 . . . . . . A 62 ILE CD1 . 34294 1 717 . 1 1 62 62 ILE N N 15 116.821 0.300 . . . . . . A 62 ILE N . 34294 1 718 . 1 1 63 63 SER H H 1 8.005 0.020 . . . . . . A 63 SER H . 34294 1 719 . 1 1 63 63 SER HA H 1 3.861 0.020 . . . . . . A 63 SER HA . 34294 1 720 . 1 1 63 63 SER HB2 H 1 3.818 0.020 . . . . . . A 63 SER HB2 . 34294 1 721 . 1 1 63 63 SER HB3 H 1 3.570 0.020 . . . . . . A 63 SER HB3 . 34294 1 722 . 1 1 63 63 SER C C 13 174.875 0.300 . . . . . . A 63 SER C . 34294 1 723 . 1 1 63 63 SER CA C 13 61.298 0.300 . . . . . . A 63 SER CA . 34294 1 724 . 1 1 63 63 SER CB C 13 62.920 0.300 . . . . . . A 63 SER CB . 34294 1 725 . 1 1 63 63 SER N N 15 110.863 0.300 . . . . . . A 63 SER N . 34294 1 726 . 1 1 64 64 THR H H 1 7.468 0.020 . . . . . . A 64 THR H . 34294 1 727 . 1 1 64 64 THR HA H 1 4.358 0.020 . . . . . . A 64 THR HA . 34294 1 728 . 1 1 64 64 THR HB H 1 4.472 0.020 . . . . . . A 64 THR HB . 34294 1 729 . 1 1 64 64 THR HG21 H 1 1.297 0.020 . . . . . . A 64 THR HG21 . 34294 1 730 . 1 1 64 64 THR HG22 H 1 1.297 0.020 . . . . . . A 64 THR HG22 . 34294 1 731 . 1 1 64 64 THR HG23 H 1 1.297 0.020 . . . . . . A 64 THR HG23 . 34294 1 732 . 1 1 64 64 THR C C 13 175.529 0.300 . . . . . . A 64 THR C . 34294 1 733 . 1 1 64 64 THR CA C 13 61.392 0.300 . . . . . . A 64 THR CA . 34294 1 734 . 1 1 64 64 THR CB C 13 69.521 0.300 . . . . . . A 64 THR CB . 34294 1 735 . 1 1 64 64 THR CG2 C 13 20.910 0.300 . . . . . . A 64 THR CG2 . 34294 1 736 . 1 1 64 64 THR N N 15 107.160 0.300 . . . . . . A 64 THR N . 34294 1 737 . 1 1 65 65 LYS H H 1 7.307 0.020 . . . . . . A 65 LYS H . 34294 1 738 . 1 1 65 65 LYS HA H 1 4.518 0.020 . . . . . . A 65 LYS HA . 34294 1 739 . 1 1 65 65 LYS HB2 H 1 2.157 0.020 . . . . . . A 65 LYS HB2 . 34294 1 740 . 1 1 65 65 LYS HB3 H 1 1.607 0.020 . . . . . . A 65 LYS HB3 . 34294 1 741 . 1 1 65 65 LYS HG2 H 1 2.125 0.020 . . . . . . A 65 LYS HG2 . 34294 1 742 . 1 1 65 65 LYS HG3 H 1 1.384 0.020 . . . . . . A 65 LYS HG3 . 34294 1 743 . 1 1 65 65 LYS HD2 H 1 1.601 0.020 . . . . . . A 65 LYS HD2 . 34294 1 744 . 1 1 65 65 LYS HD3 H 1 1.843 0.020 . . . . . . A 65 LYS HD3 . 34294 1 745 . 1 1 65 65 LYS HE2 H 1 2.804 0.020 . . . . . . A 65 LYS HE2 . 34294 1 746 . 1 1 65 65 LYS HE3 H 1 3.033 0.020 . . . . . . A 65 LYS HE3 . 34294 1 747 . 1 1 65 65 LYS C C 13 176.658 0.300 . . . . . . A 65 LYS C . 34294 1 748 . 1 1 65 65 LYS CA C 13 53.057 0.300 . . . . . . A 65 LYS CA . 34294 1 749 . 1 1 65 65 LYS CB C 13 30.553 0.300 . . . . . . A 65 LYS CB . 34294 1 750 . 1 1 65 65 LYS CG C 13 23.351 0.300 . . . . . . A 65 LYS CG . 34294 1 751 . 1 1 65 65 LYS CD C 13 27.712 0.300 . . . . . . A 65 LYS CD . 34294 1 752 . 1 1 65 65 LYS CE C 13 41.902 0.300 . . . . . . A 65 LYS CE . 34294 1 753 . 1 1 65 65 LYS N N 15 123.090 0.300 . . . . . . A 65 LYS N . 34294 1 754 . 1 1 66 66 PRO HA H 1 4.442 0.020 . . . . . . A 66 PRO HA . 34294 1 755 . 1 1 66 66 PRO HB2 H 1 2.117 0.020 . . . . . . A 66 PRO HB2 . 34294 1 756 . 1 1 66 66 PRO HB3 H 1 2.367 0.020 . . . . . . A 66 PRO HB3 . 34294 1 757 . 1 1 66 66 PRO HG2 H 1 2.039 0.020 . . . . . . A 66 PRO HG2 . 34294 1 758 . 1 1 66 66 PRO HG3 H 1 2.192 0.020 . . . . . . A 66 PRO HG3 . 34294 1 759 . 1 1 66 66 PRO HD2 H 1 3.641 0.020 . . . . . . A 66 PRO HD2 . 34294 1 760 . 1 1 66 66 PRO HD3 H 1 3.876 0.020 . . . . . . A 66 PRO HD3 . 34294 1 761 . 1 1 66 66 PRO C C 13 176.674 0.300 . . . . . . A 66 PRO C . 34294 1 762 . 1 1 66 66 PRO CA C 13 65.003 0.300 . . . . . . A 66 PRO CA . 34294 1 763 . 1 1 66 66 PRO CB C 13 32.354 0.300 . . . . . . A 66 PRO CB . 34294 1 764 . 1 1 66 66 PRO CG C 13 27.180 0.300 . . . . . . A 66 PRO CG . 34294 1 765 . 1 1 66 66 PRO CD C 13 50.191 0.300 . . . . . . A 66 PRO CD . 34294 1 766 . 1 1 67 67 THR H H 1 6.838 0.020 . . . . . . A 67 THR H . 34294 1 767 . 1 1 67 67 THR HA H 1 4.775 0.020 . . . . . . A 67 THR HA . 34294 1 768 . 1 1 67 67 THR HB H 1 4.584 0.020 . . . . . . A 67 THR HB . 34294 1 769 . 1 1 67 67 THR HG1 H 1 4.810 0.020 . . . . . . A 67 THR HG1 . 34294 1 770 . 1 1 67 67 THR HG21 H 1 1.230 0.020 . . . . . . A 67 THR HG21 . 34294 1 771 . 1 1 67 67 THR HG22 H 1 1.230 0.020 . . . . . . A 67 THR HG22 . 34294 1 772 . 1 1 67 67 THR HG23 H 1 1.230 0.020 . . . . . . A 67 THR HG23 . 34294 1 773 . 1 1 67 67 THR C C 13 173.681 0.300 . . . . . . A 67 THR C . 34294 1 774 . 1 1 67 67 THR CA C 13 57.890 0.300 . . . . . . A 67 THR CA . 34294 1 775 . 1 1 67 67 THR CB C 13 72.287 0.300 . . . . . . A 67 THR CB . 34294 1 776 . 1 1 67 67 THR CG2 C 13 21.394 0.300 . . . . . . A 67 THR CG2 . 34294 1 777 . 1 1 67 67 THR N N 15 105.374 0.300 . . . . . . A 67 THR N . 34294 1 778 . 1 1 68 68 ARG H H 1 9.015 0.020 . . . . . . A 68 ARG H . 34294 1 779 . 1 1 68 68 ARG HA H 1 3.817 0.020 . . . . . . A 68 ARG HA . 34294 1 780 . 1 1 68 68 ARG HB2 H 1 2.082 0.020 . . . . . . A 68 ARG HB2 . 34294 1 781 . 1 1 68 68 ARG HB3 H 1 1.895 0.020 . . . . . . A 68 ARG HB3 . 34294 1 782 . 1 1 68 68 ARG HG2 H 1 1.705 0.020 . . . . . . A 68 ARG HG2 . 34294 1 783 . 1 1 68 68 ARG HG3 H 1 1.344 0.020 . . . . . . A 68 ARG HG3 . 34294 1 784 . 1 1 68 68 ARG HD2 H 1 3.085 0.020 . . . . . . A 68 ARG HD2 . 34294 1 785 . 1 1 68 68 ARG HD3 H 1 3.879 0.020 . . . . . . A 68 ARG HD3 . 34294 1 786 . 1 1 68 68 ARG HE H 1 7.433 0.020 . . . . . . A 68 ARG HE . 34294 1 787 . 1 1 68 68 ARG C C 13 177.754 0.300 . . . . . . A 68 ARG C . 34294 1 788 . 1 1 68 68 ARG CA C 13 60.227 0.300 . . . . . . A 68 ARG CA . 34294 1 789 . 1 1 68 68 ARG CB C 13 29.416 0.300 . . . . . . A 68 ARG CB . 34294 1 790 . 1 1 68 68 ARG CG C 13 25.211 0.300 . . . . . . A 68 ARG CG . 34294 1 791 . 1 1 68 68 ARG CD C 13 41.955 0.300 . . . . . . A 68 ARG CD . 34294 1 792 . 1 1 68 68 ARG N N 15 123.583 0.300 . . . . . . A 68 ARG N . 34294 1 793 . 1 1 68 68 ARG NE N 15 81.307 0.300 . . . . . . A 68 ARG NE . 34294 1 794 . 1 1 69 69 THR H H 1 8.137 0.020 . . . . . . A 69 THR H . 34294 1 795 . 1 1 69 69 THR HA H 1 3.776 0.020 . . . . . . A 69 THR HA . 34294 1 796 . 1 1 69 69 THR HB H 1 3.999 0.020 . . . . . . A 69 THR HB . 34294 1 797 . 1 1 69 69 THR HG21 H 1 1.263 0.020 . . . . . . A 69 THR HG21 . 34294 1 798 . 1 1 69 69 THR HG22 H 1 1.263 0.020 . . . . . . A 69 THR HG22 . 34294 1 799 . 1 1 69 69 THR HG23 H 1 1.263 0.020 . . . . . . A 69 THR HG23 . 34294 1 800 . 1 1 69 69 THR C C 13 175.775 0.300 . . . . . . A 69 THR C . 34294 1 801 . 1 1 69 69 THR CA C 13 65.666 0.300 . . . . . . A 69 THR CA . 34294 1 802 . 1 1 69 69 THR CB C 13 68.167 0.300 . . . . . . A 69 THR CB . 34294 1 803 . 1 1 69 69 THR CG2 C 13 21.798 0.300 . . . . . . A 69 THR CG2 . 34294 1 804 . 1 1 69 69 THR N N 15 109.224 0.300 . . . . . . A 69 THR N . 34294 1 805 . 1 1 70 70 ALA H H 1 7.634 0.020 . . . . . . A 70 ALA H . 34294 1 806 . 1 1 70 70 ALA HA H 1 4.171 0.020 . . . . . . A 70 ALA HA . 34294 1 807 . 1 1 70 70 ALA HB1 H 1 1.492 0.020 . . . . . . A 70 ALA HB1 . 34294 1 808 . 1 1 70 70 ALA HB2 H 1 1.492 0.020 . . . . . . A 70 ALA HB2 . 34294 1 809 . 1 1 70 70 ALA HB3 H 1 1.492 0.020 . . . . . . A 70 ALA HB3 . 34294 1 810 . 1 1 70 70 ALA C C 13 180.877 0.300 . . . . . . A 70 ALA C . 34294 1 811 . 1 1 70 70 ALA CA C 13 54.488 0.300 . . . . . . A 70 ALA CA . 34294 1 812 . 1 1 70 70 ALA CB C 13 19.149 0.300 . . . . . . A 70 ALA CB . 34294 1 813 . 1 1 70 70 ALA N N 15 122.266 0.300 . . . . . . A 70 ALA N . 34294 1 814 . 1 1 71 71 LYS H H 1 8.291 0.020 . . . . . . A 71 LYS H . 34294 1 815 . 1 1 71 71 LYS HA H 1 3.981 0.020 . . . . . . A 71 LYS HA . 34294 1 816 . 1 1 71 71 LYS HB2 H 1 2.091 0.020 . . . . . . A 71 LYS HB2 . 34294 1 817 . 1 1 71 71 LYS HB3 H 1 1.650 0.020 . . . . . . A 71 LYS HB3 . 34294 1 818 . 1 1 71 71 LYS HG2 H 1 1.950 0.020 . . . . . . A 71 LYS HG2 . 34294 1 819 . 1 1 71 71 LYS HG3 H 1 1.633 0.020 . . . . . . A 71 LYS HG3 . 34294 1 820 . 1 1 71 71 LYS HD2 H 1 1.574 0.020 . . . . . . A 71 LYS HD2 . 34294 1 821 . 1 1 71 71 LYS HD3 H 1 1.409 0.020 . . . . . . A 71 LYS HD3 . 34294 1 822 . 1 1 71 71 LYS HE2 H 1 2.868 0.020 . . . . . . A 71 LYS HE2 . 34294 1 823 . 1 1 71 71 LYS HE3 H 1 2.868 0.020 . . . . . . A 71 LYS HE3 . 34294 1 824 . 1 1 71 71 LYS C C 13 177.868 0.300 . . . . . . A 71 LYS C . 34294 1 825 . 1 1 71 71 LYS CA C 13 60.317 0.300 . . . . . . A 71 LYS CA . 34294 1 826 . 1 1 71 71 LYS CB C 13 34.499 0.300 . . . . . . A 71 LYS CB . 34294 1 827 . 1 1 71 71 LYS CG C 13 25.069 0.300 . . . . . . A 71 LYS CG . 34294 1 828 . 1 1 71 71 LYS CD C 13 30.509 0.300 . . . . . . A 71 LYS CD . 34294 1 829 . 1 1 71 71 LYS CE C 13 42.274 0.300 . . . . . . A 71 LYS CE . 34294 1 830 . 1 1 71 71 LYS N N 15 120.246 0.300 . . . . . . A 71 LYS N . 34294 1 831 . 1 1 72 72 VAL H H 1 8.598 0.020 . . . . . . A 72 VAL H . 34294 1 832 . 1 1 72 72 VAL HA H 1 3.449 0.020 . . . . . . A 72 VAL HA . 34294 1 833 . 1 1 72 72 VAL HB H 1 2.199 0.020 . . . . . . A 72 VAL HB . 34294 1 834 . 1 1 72 72 VAL HG11 H 1 1.066 0.020 . . . . . . A 72 VAL HG11 . 34294 1 835 . 1 1 72 72 VAL HG12 H 1 1.066 0.020 . . . . . . A 72 VAL HG12 . 34294 1 836 . 1 1 72 72 VAL HG13 H 1 1.066 0.020 . . . . . . A 72 VAL HG13 . 34294 1 837 . 1 1 72 72 VAL HG21 H 1 1.227 0.020 . . . . . . A 72 VAL HG21 . 34294 1 838 . 1 1 72 72 VAL HG22 H 1 1.227 0.020 . . . . . . A 72 VAL HG22 . 34294 1 839 . 1 1 72 72 VAL HG23 H 1 1.227 0.020 . . . . . . A 72 VAL HG23 . 34294 1 840 . 1 1 72 72 VAL C C 13 177.884 0.300 . . . . . . A 72 VAL C . 34294 1 841 . 1 1 72 72 VAL CA C 13 66.518 0.300 . . . . . . A 72 VAL CA . 34294 1 842 . 1 1 72 72 VAL CB C 13 31.440 0.300 . . . . . . A 72 VAL CB . 34294 1 843 . 1 1 72 72 VAL CG1 C 13 23.754 0.300 . . . . . . A 72 VAL CG1 . 34294 1 844 . 1 1 72 72 VAL CG2 C 13 22.887 0.300 . . . . . . A 72 VAL CG2 . 34294 1 845 . 1 1 72 72 VAL N N 15 118.334 0.300 . . . . . . A 72 VAL N . 34294 1 846 . 1 1 73 73 ARG H H 1 8.648 0.020 . . . . . . A 73 ARG H . 34294 1 847 . 1 1 73 73 ARG HA H 1 3.662 0.020 . . . . . . A 73 ARG HA . 34294 1 848 . 1 1 73 73 ARG HB2 H 1 1.831 0.020 . . . . . . A 73 ARG HB2 . 34294 1 849 . 1 1 73 73 ARG HB3 H 1 1.885 0.020 . . . . . . A 73 ARG HB3 . 34294 1 850 . 1 1 73 73 ARG HG2 H 1 1.716 0.020 . . . . . . A 73 ARG HG2 . 34294 1 851 . 1 1 73 73 ARG HG3 H 1 1.598 0.020 . . . . . . A 73 ARG HG3 . 34294 1 852 . 1 1 73 73 ARG HD2 H 1 3.317 0.020 . . . . . . A 73 ARG HD2 . 34294 1 853 . 1 1 73 73 ARG HD3 H 1 3.108 0.020 . . . . . . A 73 ARG HD3 . 34294 1 854 . 1 1 73 73 ARG HE H 1 7.366 0.020 . . . . . . A 73 ARG HE . 34294 1 855 . 1 1 73 73 ARG HH21 H 1 7.102 0.020 . . . . . . A 73 ARG HH21 . 34294 1 856 . 1 1 73 73 ARG C C 13 177.606 0.300 . . . . . . A 73 ARG C . 34294 1 857 . 1 1 73 73 ARG CA C 13 60.422 0.300 . . . . . . A 73 ARG CA . 34294 1 858 . 1 1 73 73 ARG CB C 13 29.297 0.300 . . . . . . A 73 ARG CB . 34294 1 859 . 1 1 73 73 ARG CG C 13 27.860 0.300 . . . . . . A 73 ARG CG . 34294 1 860 . 1 1 73 73 ARG CD C 13 42.520 0.300 . . . . . . A 73 ARG CD . 34294 1 861 . 1 1 73 73 ARG N N 15 118.701 0.300 . . . . . . A 73 ARG N . 34294 1 862 . 1 1 73 73 ARG NE N 15 83.008 0.300 . . . . . . A 73 ARG NE . 34294 1 863 . 1 1 74 74 GLN H H 1 7.776 0.020 . . . . . . A 74 GLN H . 34294 1 864 . 1 1 74 74 GLN HA H 1 4.021 0.020 . . . . . . A 74 GLN HA . 34294 1 865 . 1 1 74 74 GLN HB2 H 1 2.100 0.020 . . . . . . A 74 GLN HB2 . 34294 1 866 . 1 1 74 74 GLN HB3 H 1 2.338 0.020 . . . . . . A 74 GLN HB3 . 34294 1 867 . 1 1 74 74 GLN HG2 H 1 2.283 0.020 . . . . . . A 74 GLN HG2 . 34294 1 868 . 1 1 74 74 GLN HG3 H 1 2.017 0.020 . . . . . . A 74 GLN HG3 . 34294 1 869 . 1 1 74 74 GLN HE21 H 1 7.695 0.020 . . . . . . A 74 GLN HE21 . 34294 1 870 . 1 1 74 74 GLN HE22 H 1 7.230 0.020 . . . . . . A 74 GLN HE22 . 34294 1 871 . 1 1 74 74 GLN C C 13 178.408 0.300 . . . . . . A 74 GLN C . 34294 1 872 . 1 1 74 74 GLN CA C 13 57.603 0.300 . . . . . . A 74 GLN CA . 34294 1 873 . 1 1 74 74 GLN CB C 13 27.122 0.300 . . . . . . A 74 GLN CB . 34294 1 874 . 1 1 74 74 GLN CG C 13 33.592 0.300 . . . . . . A 74 GLN CG . 34294 1 875 . 1 1 74 74 GLN N N 15 117.289 0.300 . . . . . . A 74 GLN N . 34294 1 876 . 1 1 74 74 GLN NE2 N 15 115.976 0.300 . . . . . . A 74 GLN NE2 . 34294 1 877 . 1 1 75 75 LEU H H 1 8.658 0.020 . . . . . . A 75 LEU H . 34294 1 878 . 1 1 75 75 LEU HA H 1 4.113 0.020 . . . . . . A 75 LEU HA . 34294 1 879 . 1 1 75 75 LEU HB2 H 1 1.462 0.020 . . . . . . A 75 LEU HB2 . 34294 1 880 . 1 1 75 75 LEU HB3 H 1 2.486 0.020 . . . . . . A 75 LEU HB3 . 34294 1 881 . 1 1 75 75 LEU HG H 1 1.617 0.020 . . . . . . A 75 LEU HG . 34294 1 882 . 1 1 75 75 LEU HD11 H 1 0.888 0.020 . . . . . . A 75 LEU HD11 . 34294 1 883 . 1 1 75 75 LEU HD12 H 1 0.888 0.020 . . . . . . A 75 LEU HD12 . 34294 1 884 . 1 1 75 75 LEU HD13 H 1 0.888 0.020 . . . . . . A 75 LEU HD13 . 34294 1 885 . 1 1 75 75 LEU HD21 H 1 0.937 0.020 . . . . . . A 75 LEU HD21 . 34294 1 886 . 1 1 75 75 LEU HD22 H 1 0.937 0.020 . . . . . . A 75 LEU HD22 . 34294 1 887 . 1 1 75 75 LEU HD23 H 1 0.937 0.020 . . . . . . A 75 LEU HD23 . 34294 1 888 . 1 1 75 75 LEU C C 13 177.950 0.300 . . . . . . A 75 LEU C . 34294 1 889 . 1 1 75 75 LEU CA C 13 58.576 0.300 . . . . . . A 75 LEU CA . 34294 1 890 . 1 1 75 75 LEU CB C 13 40.890 0.300 . . . . . . A 75 LEU CB . 34294 1 891 . 1 1 75 75 LEU CG C 13 26.802 0.300 . . . . . . A 75 LEU CG . 34294 1 892 . 1 1 75 75 LEU CD1 C 13 25.844 0.300 . . . . . . A 75 LEU CD1 . 34294 1 893 . 1 1 75 75 LEU CD2 C 13 23.124 0.300 . . . . . . A 75 LEU CD2 . 34294 1 894 . 1 1 75 75 LEU N N 15 124.294 0.300 . . . . . . A 75 LEU N . 34294 1 895 . 1 1 76 76 LEU H H 1 8.526 0.020 . . . . . . A 76 LEU H . 34294 1 896 . 1 1 76 76 LEU HA H 1 4.090 0.020 . . . . . . A 76 LEU HA . 34294 1 897 . 1 1 76 76 LEU HB2 H 1 1.924 0.020 . . . . . . A 76 LEU HB2 . 34294 1 898 . 1 1 76 76 LEU HB3 H 1 1.359 0.020 . . . . . . A 76 LEU HB3 . 34294 1 899 . 1 1 76 76 LEU HG H 1 2.155 0.020 . . . . . . A 76 LEU HG . 34294 1 900 . 1 1 76 76 LEU HD11 H 1 0.849 0.020 . . . . . . A 76 LEU HD11 . 34294 1 901 . 1 1 76 76 LEU HD12 H 1 0.849 0.020 . . . . . . A 76 LEU HD12 . 34294 1 902 . 1 1 76 76 LEU HD13 H 1 0.849 0.020 . . . . . . A 76 LEU HD13 . 34294 1 903 . 1 1 76 76 LEU HD21 H 1 0.855 0.020 . . . . . . A 76 LEU HD21 . 34294 1 904 . 1 1 76 76 LEU HD22 H 1 0.855 0.020 . . . . . . A 76 LEU HD22 . 34294 1 905 . 1 1 76 76 LEU HD23 H 1 0.855 0.020 . . . . . . A 76 LEU HD23 . 34294 1 906 . 1 1 76 76 LEU C C 13 179.602 0.300 . . . . . . A 76 LEU C . 34294 1 907 . 1 1 76 76 LEU CA C 13 57.105 0.300 . . . . . . A 76 LEU CA . 34294 1 908 . 1 1 76 76 LEU CB C 13 39.101 0.300 . . . . . . A 76 LEU CB . 34294 1 909 . 1 1 76 76 LEU CG C 13 25.649 0.300 . . . . . . A 76 LEU CG . 34294 1 910 . 1 1 76 76 LEU CD1 C 13 26.668 0.300 . . . . . . A 76 LEU CD1 . 34294 1 911 . 1 1 76 76 LEU CD2 C 13 20.407 0.300 . . . . . . A 76 LEU CD2 . 34294 1 912 . 1 1 76 76 LEU N N 15 117.938 0.300 . . . . . . A 76 LEU N . 34294 1 913 . 1 1 77 77 ASP H H 1 8.724 0.020 . . . . . . A 77 ASP H . 34294 1 914 . 1 1 77 77 ASP HA H 1 4.396 0.020 . . . . . . A 77 ASP HA . 34294 1 915 . 1 1 77 77 ASP HB2 H 1 2.749 0.020 . . . . . . A 77 ASP HB2 . 34294 1 916 . 1 1 77 77 ASP HB3 H 1 2.749 0.020 . . . . . . A 77 ASP HB3 . 34294 1 917 . 1 1 77 77 ASP C C 13 178.490 0.300 . . . . . . A 77 ASP C . 34294 1 918 . 1 1 77 77 ASP CA C 13 56.824 0.300 . . . . . . A 77 ASP CA . 34294 1 919 . 1 1 77 77 ASP CB C 13 38.678 0.300 . . . . . . A 77 ASP CB . 34294 1 920 . 1 1 77 77 ASP N N 15 122.507 0.300 . . . . . . A 77 ASP N . 34294 1 921 . 1 1 78 78 THR H H 1 8.170 0.020 . . . . . . A 78 THR H . 34294 1 922 . 1 1 78 78 THR HA H 1 3.872 0.020 . . . . . . A 78 THR HA . 34294 1 923 . 1 1 78 78 THR HB H 1 4.401 0.020 . . . . . . A 78 THR HB . 34294 1 924 . 1 1 78 78 THR HG21 H 1 1.091 0.020 . . . . . . A 78 THR HG21 . 34294 1 925 . 1 1 78 78 THR HG22 H 1 1.091 0.020 . . . . . . A 78 THR HG22 . 34294 1 926 . 1 1 78 78 THR HG23 H 1 1.091 0.020 . . . . . . A 78 THR HG23 . 34294 1 927 . 1 1 78 78 THR C C 13 175.529 0.300 . . . . . . A 78 THR C . 34294 1 928 . 1 1 78 78 THR CA C 13 66.379 0.300 . . . . . . A 78 THR CA . 34294 1 929 . 1 1 78 78 THR CB C 13 67.781 0.300 . . . . . . A 78 THR CB . 34294 1 930 . 1 1 78 78 THR CG2 C 13 21.993 0.300 . . . . . . A 78 THR CG2 . 34294 1 931 . 1 1 78 78 THR N N 15 117.893 0.300 . . . . . . A 78 THR N . 34294 1 932 . 1 1 79 79 SER H H 1 8.106 0.020 . . . . . . A 79 SER H . 34294 1 933 . 1 1 79 79 SER HA H 1 3.320 0.020 . . . . . . A 79 SER HA . 34294 1 934 . 1 1 79 79 SER HB2 H 1 4.248 0.020 . . . . . . A 79 SER HB2 . 34294 1 935 . 1 1 79 79 SER HB3 H 1 3.870 0.020 . . . . . . A 79 SER HB3 . 34294 1 936 . 1 1 79 79 SER C C 13 177.018 0.300 . . . . . . A 79 SER C . 34294 1 937 . 1 1 79 79 SER CA C 13 61.395 0.300 . . . . . . A 79 SER CA . 34294 1 938 . 1 1 79 79 SER CB C 13 62.864 0.300 . . . . . . A 79 SER CB . 34294 1 939 . 1 1 79 79 SER N N 15 118.865 0.300 . . . . . . A 79 SER N . 34294 1 940 . 1 1 80 80 ASP H H 1 7.490 0.020 . . . . . . A 80 ASP H . 34294 1 941 . 1 1 80 80 ASP HA H 1 4.399 0.020 . . . . . . A 80 ASP HA . 34294 1 942 . 1 1 80 80 ASP HB2 H 1 2.929 0.020 . . . . . . A 80 ASP HB2 . 34294 1 943 . 1 1 80 80 ASP HB3 H 1 2.680 0.020 . . . . . . A 80 ASP HB3 . 34294 1 944 . 1 1 80 80 ASP C C 13 176.772 0.300 . . . . . . A 80 ASP C . 34294 1 945 . 1 1 80 80 ASP CA C 13 56.589 0.300 . . . . . . A 80 ASP CA . 34294 1 946 . 1 1 80 80 ASP CB C 13 39.849 0.300 . . . . . . A 80 ASP CB . 34294 1 947 . 1 1 80 80 ASP N N 15 119.706 0.300 . . . . . . A 80 ASP N . 34294 1 948 . 1 1 81 81 ILE H H 1 7.010 0.020 . . . . . . A 81 ILE H . 34294 1 949 . 1 1 81 81 ILE HA H 1 4.118 0.020 . . . . . . A 81 ILE HA . 34294 1 950 . 1 1 81 81 ILE HB H 1 1.977 0.020 . . . . . . A 81 ILE HB . 34294 1 951 . 1 1 81 81 ILE HG12 H 1 1.502 0.020 . . . . . . A 81 ILE HG12 . 34294 1 952 . 1 1 81 81 ILE HG13 H 1 1.219 0.020 . . . . . . A 81 ILE HG13 . 34294 1 953 . 1 1 81 81 ILE HG21 H 1 0.864 0.020 . . . . . . A 81 ILE HG21 . 34294 1 954 . 1 1 81 81 ILE HG22 H 1 0.864 0.020 . . . . . . A 81 ILE HG22 . 34294 1 955 . 1 1 81 81 ILE HG23 H 1 0.864 0.020 . . . . . . A 81 ILE HG23 . 34294 1 956 . 1 1 81 81 ILE HD11 H 1 0.820 0.020 . . . . . . A 81 ILE HD11 . 34294 1 957 . 1 1 81 81 ILE HD12 H 1 0.820 0.020 . . . . . . A 81 ILE HD12 . 34294 1 958 . 1 1 81 81 ILE HD13 H 1 0.820 0.020 . . . . . . A 81 ILE HD13 . 34294 1 959 . 1 1 81 81 ILE C C 13 176.723 0.300 . . . . . . A 81 ILE C . 34294 1 960 . 1 1 81 81 ILE CA C 13 61.435 0.300 . . . . . . A 81 ILE CA . 34294 1 961 . 1 1 81 81 ILE CB C 13 38.319 0.300 . . . . . . A 81 ILE CB . 34294 1 962 . 1 1 81 81 ILE CG1 C 13 27.199 0.300 . . . . . . A 81 ILE CG1 . 34294 1 963 . 1 1 81 81 ILE CG2 C 13 17.295 0.300 . . . . . . A 81 ILE CG2 . 34294 1 964 . 1 1 81 81 ILE CD1 C 13 12.444 0.300 . . . . . . A 81 ILE CD1 . 34294 1 965 . 1 1 81 81 ILE N N 15 114.777 0.300 . . . . . . A 81 ILE N . 34294 1 966 . 1 1 82 82 GLN H H 1 7.762 0.020 . . . . . . A 82 GLN H . 34294 1 967 . 1 1 82 82 GLN HA H 1 4.245 0.020 . . . . . . A 82 GLN HA . 34294 1 968 . 1 1 82 82 GLN HB2 H 1 0.974 0.020 . . . . . . A 82 GLN HB2 . 34294 1 969 . 1 1 82 82 GLN HB3 H 1 2.176 0.020 . . . . . . A 82 GLN HB3 . 34294 1 970 . 1 1 82 82 GLN HG2 H 1 2.193 0.020 . . . . . . A 82 GLN HG2 . 34294 1 971 . 1 1 82 82 GLN HG3 H 1 1.902 0.020 . . . . . . A 82 GLN HG3 . 34294 1 972 . 1 1 82 82 GLN HE21 H 1 7.378 0.020 . . . . . . A 82 GLN HE21 . 34294 1 973 . 1 1 82 82 GLN HE22 H 1 7.004 0.020 . . . . . . A 82 GLN HE22 . 34294 1 974 . 1 1 82 82 GLN C C 13 176.969 0.300 . . . . . . A 82 GLN C . 34294 1 975 . 1 1 82 82 GLN CA C 13 55.431 0.300 . . . . . . A 82 GLN CA . 34294 1 976 . 1 1 82 82 GLN CB C 13 29.308 0.300 . . . . . . A 82 GLN CB . 34294 1 977 . 1 1 82 82 GLN CG C 13 33.000 0.300 . . . . . . A 82 GLN CG . 34294 1 978 . 1 1 82 82 GLN N N 15 117.865 0.300 . . . . . . A 82 GLN N . 34294 1 979 . 1 1 82 82 GLN NE2 N 15 113.263 0.300 . . . . . . A 82 GLN NE2 . 34294 1 980 . 1 1 83 83 GLY H H 1 7.990 0.020 . . . . . . A 83 GLY H . 34294 1 981 . 1 1 83 83 GLY HA2 H 1 4.499 0.020 . . . . . . A 83 GLY HA2 . 34294 1 982 . 1 1 83 83 GLY HA3 H 1 4.044 0.020 . . . . . . A 83 GLY HA3 . 34294 1 983 . 1 1 83 83 GLY C C 13 173.943 0.300 . . . . . . A 83 GLY C . 34294 1 984 . 1 1 83 83 GLY CA C 13 44.658 0.300 . . . . . . A 83 GLY CA . 34294 1 985 . 1 1 83 83 GLY N N 15 105.886 0.300 . . . . . . A 83 GLY N . 34294 1 986 . 1 1 84 84 GLU H H 1 8.374 0.020 . . . . . . A 84 GLU H . 34294 1 987 . 1 1 84 84 GLU HA H 1 4.567 0.020 . . . . . . A 84 GLU HA . 34294 1 988 . 1 1 84 84 GLU HB2 H 1 2.224 0.020 . . . . . . A 84 GLU HB2 . 34294 1 989 . 1 1 84 84 GLU HB3 H 1 1.776 0.020 . . . . . . A 84 GLU HB3 . 34294 1 990 . 1 1 84 84 GLU HG2 H 1 2.613 0.020 . . . . . . A 84 GLU HG2 . 34294 1 991 . 1 1 84 84 GLU HG3 H 1 2.167 0.020 . . . . . . A 84 GLU HG3 . 34294 1 992 . 1 1 84 84 GLU C C 13 177.623 0.300 . . . . . . A 84 GLU C . 34294 1 993 . 1 1 84 84 GLU CA C 13 57.896 0.300 . . . . . . A 84 GLU CA . 34294 1 994 . 1 1 84 84 GLU CB C 13 29.129 0.300 . . . . . . A 84 GLU CB . 34294 1 995 . 1 1 84 84 GLU CG C 13 33.104 0.300 . . . . . . A 84 GLU CG . 34294 1 996 . 1 1 84 84 GLU N N 15 120.484 0.300 . . . . . . A 84 GLU N . 34294 1 997 . 1 1 85 85 GLU H H 1 8.731 0.020 . . . . . . A 85 GLU H . 34294 1 998 . 1 1 85 85 GLU HA H 1 4.005 0.020 . . . . . . A 85 GLU HA . 34294 1 999 . 1 1 85 85 GLU HB2 H 1 2.139 0.020 . . . . . . A 85 GLU HB2 . 34294 1 1000 . 1 1 85 85 GLU HB3 H 1 2.045 0.020 . . . . . . A 85 GLU HB3 . 34294 1 1001 . 1 1 85 85 GLU HG2 H 1 2.420 0.020 . . . . . . A 85 GLU HG2 . 34294 1 1002 . 1 1 85 85 GLU HG3 H 1 2.420 0.020 . . . . . . A 85 GLU HG3 . 34294 1 1003 . 1 1 85 85 GLU C C 13 177.508 0.300 . . . . . . A 85 GLU C . 34294 1 1004 . 1 1 85 85 GLU CA C 13 59.521 0.300 . . . . . . A 85 GLU CA . 34294 1 1005 . 1 1 85 85 GLU CB C 13 28.038 0.300 . . . . . . A 85 GLU CB . 34294 1 1006 . 1 1 85 85 GLU CG C 13 35.301 0.300 . . . . . . A 85 GLU CG . 34294 1 1007 . 1 1 85 85 GLU N N 15 119.064 0.300 . . . . . . A 85 GLU N . 34294 1 1008 . 1 1 86 86 PHE H H 1 7.729 0.020 . . . . . . A 86 PHE H . 34294 1 1009 . 1 1 86 86 PHE HA H 1 3.895 0.020 . . . . . . A 86 PHE HA . 34294 1 1010 . 1 1 86 86 PHE HB2 H 1 2.909 0.020 . . . . . . A 86 PHE HB2 . 34294 1 1011 . 1 1 86 86 PHE HB3 H 1 3.679 0.020 . . . . . . A 86 PHE HB3 . 34294 1 1012 . 1 1 86 86 PHE HD1 H 1 7.209 0.020 . . . . . . A 86 PHE HD1 . 34294 1 1013 . 1 1 86 86 PHE HD2 H 1 7.209 0.020 . . . . . . A 86 PHE HD2 . 34294 1 1014 . 1 1 86 86 PHE HE1 H 1 7.168 0.020 . . . . . . A 86 PHE HE1 . 34294 1 1015 . 1 1 86 86 PHE HE2 H 1 7.168 0.020 . . . . . . A 86 PHE HE2 . 34294 1 1016 . 1 1 86 86 PHE HZ H 1 7.110 0.020 . . . . . . A 86 PHE HZ . 34294 1 1017 . 1 1 86 86 PHE C C 13 176.478 0.300 . . . . . . A 86 PHE C . 34294 1 1018 . 1 1 86 86 PHE CA C 13 59.270 0.300 . . . . . . A 86 PHE CA . 34294 1 1019 . 1 1 86 86 PHE CB C 13 39.939 0.300 . . . . . . A 86 PHE CB . 34294 1 1020 . 1 1 86 86 PHE CD1 C 13 132.646 0.300 . . . . . . A 86 PHE CD1 . 34294 1 1021 . 1 1 86 86 PHE CE1 C 13 130.248 0.300 . . . . . . A 86 PHE CE1 . 34294 1 1022 . 1 1 86 86 PHE CZ C 13 132.718 0.300 . . . . . . A 86 PHE CZ . 34294 1 1023 . 1 1 86 86 PHE N N 15 120.212 0.300 . . . . . . A 86 PHE N . 34294 1 1024 . 1 1 87 87 ALA H H 1 7.931 0.020 . . . . . . A 87 ALA H . 34294 1 1025 . 1 1 87 87 ALA HA H 1 4.017 0.020 . . . . . . A 87 ALA HA . 34294 1 1026 . 1 1 87 87 ALA HB1 H 1 1.450 0.020 . . . . . . A 87 ALA HB1 . 34294 1 1027 . 1 1 87 87 ALA HB2 H 1 1.450 0.020 . . . . . . A 87 ALA HB2 . 34294 1 1028 . 1 1 87 87 ALA HB3 H 1 1.450 0.020 . . . . . . A 87 ALA HB3 . 34294 1 1029 . 1 1 87 87 ALA C C 13 178.898 0.300 . . . . . . A 87 ALA C . 34294 1 1030 . 1 1 87 87 ALA CA C 13 54.916 0.300 . . . . . . A 87 ALA CA . 34294 1 1031 . 1 1 87 87 ALA CB C 13 18.593 0.300 . . . . . . A 87 ALA CB . 34294 1 1032 . 1 1 87 87 ALA N N 15 119.282 0.300 . . . . . . A 87 ALA N . 34294 1 1033 . 1 1 88 88 ARG H H 1 8.865 0.020 . . . . . . A 88 ARG H . 34294 1 1034 . 1 1 88 88 ARG HA H 1 3.572 0.020 . . . . . . A 88 ARG HA . 34294 1 1035 . 1 1 88 88 ARG HB2 H 1 1.978 0.020 . . . . . . A 88 ARG HB2 . 34294 1 1036 . 1 1 88 88 ARG HB3 H 1 1.805 0.020 . . . . . . A 88 ARG HB3 . 34294 1 1037 . 1 1 88 88 ARG HG2 H 1 1.974 0.020 . . . . . . A 88 ARG HG2 . 34294 1 1038 . 1 1 88 88 ARG HG3 H 1 1.469 0.020 . . . . . . A 88 ARG HG3 . 34294 1 1039 . 1 1 88 88 ARG HD2 H 1 3.166 0.020 . . . . . . A 88 ARG HD2 . 34294 1 1040 . 1 1 88 88 ARG HD3 H 1 3.100 0.020 . . . . . . A 88 ARG HD3 . 34294 1 1041 . 1 1 88 88 ARG C C 13 178.146 0.300 . . . . . . A 88 ARG C . 34294 1 1042 . 1 1 88 88 ARG CA C 13 60.102 0.300 . . . . . . A 88 ARG CA . 34294 1 1043 . 1 1 88 88 ARG CB C 13 29.677 0.300 . . . . . . A 88 ARG CB . 34294 1 1044 . 1 1 88 88 ARG CG C 13 29.315 0.300 . . . . . . A 88 ARG CG . 34294 1 1045 . 1 1 88 88 ARG CD C 13 43.280 0.300 . . . . . . A 88 ARG CD . 34294 1 1046 . 1 1 88 88 ARG N N 15 116.947 0.300 . . . . . . A 88 ARG N . 34294 1 1047 . 1 1 89 89 VAL H H 1 7.446 0.020 . . . . . . A 89 VAL H . 34294 1 1048 . 1 1 89 89 VAL HA H 1 3.524 0.020 . . . . . . A 89 VAL HA . 34294 1 1049 . 1 1 89 89 VAL HB H 1 2.103 0.020 . . . . . . A 89 VAL HB . 34294 1 1050 . 1 1 89 89 VAL HG11 H 1 0.719 0.020 . . . . . . A 89 VAL HG11 . 34294 1 1051 . 1 1 89 89 VAL HG12 H 1 0.719 0.020 . . . . . . A 89 VAL HG12 . 34294 1 1052 . 1 1 89 89 VAL HG13 H 1 0.719 0.020 . . . . . . A 89 VAL HG13 . 34294 1 1053 . 1 1 89 89 VAL HG21 H 1 0.929 0.020 . . . . . . A 89 VAL HG21 . 34294 1 1054 . 1 1 89 89 VAL HG22 H 1 0.929 0.020 . . . . . . A 89 VAL HG22 . 34294 1 1055 . 1 1 89 89 VAL HG23 H 1 0.929 0.020 . . . . . . A 89 VAL HG23 . 34294 1 1056 . 1 1 89 89 VAL C C 13 176.985 0.300 . . . . . . A 89 VAL C . 34294 1 1057 . 1 1 89 89 VAL CA C 13 66.134 0.300 . . . . . . A 89 VAL CA . 34294 1 1058 . 1 1 89 89 VAL CB C 13 31.112 0.300 . . . . . . A 89 VAL CB . 34294 1 1059 . 1 1 89 89 VAL CG1 C 13 21.895 0.300 . . . . . . A 89 VAL CG1 . 34294 1 1060 . 1 1 89 89 VAL CG2 C 13 22.841 0.300 . . . . . . A 89 VAL CG2 . 34294 1 1061 . 1 1 89 89 VAL N N 15 119.133 0.300 . . . . . . A 89 VAL N . 34294 1 1062 . 1 1 90 90 ILE H H 1 6.956 0.020 . . . . . . A 90 ILE H . 34294 1 1063 . 1 1 90 90 ILE HA H 1 3.509 0.020 . . . . . . A 90 ILE HA . 34294 1 1064 . 1 1 90 90 ILE HB H 1 2.155 0.020 . . . . . . A 90 ILE HB . 34294 1 1065 . 1 1 90 90 ILE HG12 H 1 1.845 0.020 . . . . . . A 90 ILE HG12 . 34294 1 1066 . 1 1 90 90 ILE HG13 H 1 0.825 0.020 . . . . . . A 90 ILE HG13 . 34294 1 1067 . 1 1 90 90 ILE HG21 H 1 0.845 0.020 . . . . . . A 90 ILE HG21 . 34294 1 1068 . 1 1 90 90 ILE HG22 H 1 0.845 0.020 . . . . . . A 90 ILE HG22 . 34294 1 1069 . 1 1 90 90 ILE HG23 H 1 0.845 0.020 . . . . . . A 90 ILE HG23 . 34294 1 1070 . 1 1 90 90 ILE HD11 H 1 1.007 0.020 . . . . . . A 90 ILE HD11 . 34294 1 1071 . 1 1 90 90 ILE HD12 H 1 1.007 0.020 . . . . . . A 90 ILE HD12 . 34294 1 1072 . 1 1 90 90 ILE HD13 H 1 1.007 0.020 . . . . . . A 90 ILE HD13 . 34294 1 1073 . 1 1 90 90 ILE C C 13 177.050 0.300 . . . . . . A 90 ILE C . 34294 1 1074 . 1 1 90 90 ILE CA C 13 64.843 0.300 . . . . . . A 90 ILE CA . 34294 1 1075 . 1 1 90 90 ILE CB C 13 37.691 0.300 . . . . . . A 90 ILE CB . 34294 1 1076 . 1 1 90 90 ILE CG1 C 13 28.442 0.300 . . . . . . A 90 ILE CG1 . 34294 1 1077 . 1 1 90 90 ILE CG2 C 13 16.257 0.300 . . . . . . A 90 ILE CG2 . 34294 1 1078 . 1 1 90 90 ILE CD1 C 13 13.927 0.300 . . . . . . A 90 ILE CD1 . 34294 1 1079 . 1 1 90 90 ILE N N 15 117.890 0.300 . . . . . . A 90 ILE N . 34294 1 1080 . 1 1 91 91 VAL H H 1 8.155 0.020 . . . . . . A 91 VAL H . 34294 1 1081 . 1 1 91 91 VAL HA H 1 3.427 0.020 . . . . . . A 91 VAL HA . 34294 1 1082 . 1 1 91 91 VAL HB H 1 1.843 0.020 . . . . . . A 91 VAL HB . 34294 1 1083 . 1 1 91 91 VAL HG11 H 1 0.346 0.020 . . . . . . A 91 VAL HG11 . 34294 1 1084 . 1 1 91 91 VAL HG12 H 1 0.346 0.020 . . . . . . A 91 VAL HG12 . 34294 1 1085 . 1 1 91 91 VAL HG13 H 1 0.346 0.020 . . . . . . A 91 VAL HG13 . 34294 1 1086 . 1 1 91 91 VAL HG21 H 1 1.107 0.020 . . . . . . A 91 VAL HG21 . 34294 1 1087 . 1 1 91 91 VAL HG22 H 1 1.107 0.020 . . . . . . A 91 VAL HG22 . 34294 1 1088 . 1 1 91 91 VAL HG23 H 1 1.107 0.020 . . . . . . A 91 VAL HG23 . 34294 1 1089 . 1 1 91 91 VAL C C 13 176.560 0.300 . . . . . . A 91 VAL C . 34294 1 1090 . 1 1 91 91 VAL CA C 13 67.128 0.300 . . . . . . A 91 VAL CA . 34294 1 1091 . 1 1 91 91 VAL CB C 13 31.010 0.300 . . . . . . A 91 VAL CB . 34294 1 1092 . 1 1 91 91 VAL CG1 C 13 21.250 0.300 . . . . . . A 91 VAL CG1 . 34294 1 1093 . 1 1 91 91 VAL CG2 C 13 23.877 0.300 . . . . . . A 91 VAL CG2 . 34294 1 1094 . 1 1 91 91 VAL N N 15 117.465 0.300 . . . . . . A 91 VAL N . 34294 1 1095 . 1 1 92 92 GLN H H 1 8.142 0.020 . . . . . . A 92 GLN H . 34294 1 1096 . 1 1 92 92 GLN HA H 1 3.653 0.020 . . . . . . A 92 GLN HA . 34294 1 1097 . 1 1 92 92 GLN HB2 H 1 2.142 0.020 . . . . . . A 92 GLN HB2 . 34294 1 1098 . 1 1 92 92 GLN HB3 H 1 2.069 0.020 . . . . . . A 92 GLN HB3 . 34294 1 1099 . 1 1 92 92 GLN HG2 H 1 2.331 0.020 . . . . . . A 92 GLN HG2 . 34294 1 1100 . 1 1 92 92 GLN HG3 H 1 2.250 0.020 . . . . . . A 92 GLN HG3 . 34294 1 1101 . 1 1 92 92 GLN HE21 H 1 7.810 0.020 . . . . . . A 92 GLN HE21 . 34294 1 1102 . 1 1 92 92 GLN HE22 H 1 6.722 0.020 . . . . . . A 92 GLN HE22 . 34294 1 1103 . 1 1 92 92 GLN C C 13 177.737 0.300 . . . . . . A 92 GLN C . 34294 1 1104 . 1 1 92 92 GLN CA C 13 58.224 0.300 . . . . . . A 92 GLN CA . 34294 1 1105 . 1 1 92 92 GLN CB C 13 28.008 0.300 . . . . . . A 92 GLN CB . 34294 1 1106 . 1 1 92 92 GLN CG C 13 33.133 0.300 . . . . . . A 92 GLN CG . 34294 1 1107 . 1 1 92 92 GLN N N 15 117.437 0.300 . . . . . . A 92 GLN N . 34294 1 1108 . 1 1 92 92 GLN NE2 N 15 114.665 0.300 . . . . . . A 92 GLN NE2 . 34294 1 1109 . 1 1 93 93 LYS H H 1 8.170 0.020 . . . . . . A 93 LYS H . 34294 1 1110 . 1 1 93 93 LYS HA H 1 4.085 0.020 . . . . . . A 93 LYS HA . 34294 1 1111 . 1 1 93 93 LYS HB2 H 1 2.150 0.020 . . . . . . A 93 LYS HB2 . 34294 1 1112 . 1 1 93 93 LYS HB3 H 1 1.626 0.020 . . . . . . A 93 LYS HB3 . 34294 1 1113 . 1 1 93 93 LYS HG2 H 1 1.222 0.020 . . . . . . A 93 LYS HG2 . 34294 1 1114 . 1 1 93 93 LYS HG3 H 1 1.715 0.020 . . . . . . A 93 LYS HG3 . 34294 1 1115 . 1 1 93 93 LYS HD2 H 1 1.672 0.020 . . . . . . A 93 LYS HD2 . 34294 1 1116 . 1 1 93 93 LYS HD3 H 1 1.502 0.020 . . . . . . A 93 LYS HD3 . 34294 1 1117 . 1 1 93 93 LYS HE2 H 1 2.734 0.020 . . . . . . A 93 LYS HE2 . 34294 1 1118 . 1 1 93 93 LYS HE3 H 1 2.734 0.020 . . . . . . A 93 LYS HE3 . 34294 1 1119 . 1 1 93 93 LYS C C 13 180.043 0.300 . . . . . . A 93 LYS C . 34294 1 1120 . 1 1 93 93 LYS CA C 13 56.889 0.300 . . . . . . A 93 LYS CA . 34294 1 1121 . 1 1 93 93 LYS CB C 13 29.563 0.300 . . . . . . A 93 LYS CB . 34294 1 1122 . 1 1 93 93 LYS CG C 13 23.335 0.300 . . . . . . A 93 LYS CG . 34294 1 1123 . 1 1 93 93 LYS CD C 13 26.699 0.300 . . . . . . A 93 LYS CD . 34294 1 1124 . 1 1 93 93 LYS CE C 13 41.523 0.300 . . . . . . A 93 LYS CE . 34294 1 1125 . 1 1 93 93 LYS N N 15 116.790 0.300 . . . . . . A 93 LYS N . 34294 1 1126 . 1 1 94 94 LEU H H 1 8.415 0.020 . . . . . . A 94 LEU H . 34294 1 1127 . 1 1 94 94 LEU HA H 1 4.167 0.020 . . . . . . A 94 LEU HA . 34294 1 1128 . 1 1 94 94 LEU HB2 H 1 2.366 0.020 . . . . . . A 94 LEU HB2 . 34294 1 1129 . 1 1 94 94 LEU HB3 H 1 2.109 0.020 . . . . . . A 94 LEU HB3 . 34294 1 1130 . 1 1 94 94 LEU HG H 1 1.850 0.020 . . . . . . A 94 LEU HG . 34294 1 1131 . 1 1 94 94 LEU HD11 H 1 1.147 0.020 . . . . . . A 94 LEU HD11 . 34294 1 1132 . 1 1 94 94 LEU HD12 H 1 1.147 0.020 . . . . . . A 94 LEU HD12 . 34294 1 1133 . 1 1 94 94 LEU HD13 H 1 1.147 0.020 . . . . . . A 94 LEU HD13 . 34294 1 1134 . 1 1 94 94 LEU HD21 H 1 1.076 0.020 . . . . . . A 94 LEU HD21 . 34294 1 1135 . 1 1 94 94 LEU HD22 H 1 1.076 0.020 . . . . . . A 94 LEU HD22 . 34294 1 1136 . 1 1 94 94 LEU HD23 H 1 1.076 0.020 . . . . . . A 94 LEU HD23 . 34294 1 1137 . 1 1 94 94 LEU C C 13 177.770 0.300 . . . . . . A 94 LEU C . 34294 1 1138 . 1 1 94 94 LEU CA C 13 58.809 0.300 . . . . . . A 94 LEU CA . 34294 1 1139 . 1 1 94 94 LEU CB C 13 41.585 0.300 . . . . . . A 94 LEU CB . 34294 1 1140 . 1 1 94 94 LEU CG C 13 26.277 0.300 . . . . . . A 94 LEU CG . 34294 1 1141 . 1 1 94 94 LEU CD1 C 13 26.894 0.300 . . . . . . A 94 LEU CD1 . 34294 1 1142 . 1 1 94 94 LEU CD2 C 13 23.683 0.300 . . . . . . A 94 LEU CD2 . 34294 1 1143 . 1 1 94 94 LEU N N 15 124.515 0.300 . . . . . . A 94 LEU N . 34294 1 1144 . 1 1 95 95 LYS H H 1 7.717 0.020 . . . . . . A 95 LYS H . 34294 1 1145 . 1 1 95 95 LYS HA H 1 3.209 0.020 . . . . . . A 95 LYS HA . 34294 1 1146 . 1 1 95 95 LYS HB2 H 1 1.548 0.020 . . . . . . A 95 LYS HB2 . 34294 1 1147 . 1 1 95 95 LYS HB3 H 1 0.996 0.020 . . . . . . A 95 LYS HB3 . 34294 1 1148 . 1 1 95 95 LYS HG2 H 1 0.676 0.020 . . . . . . A 95 LYS HG2 . 34294 1 1149 . 1 1 95 95 LYS HG3 H 1 0.770 0.020 . . . . . . A 95 LYS HG3 . 34294 1 1150 . 1 1 95 95 LYS HD2 H 1 1.162 0.020 . . . . . . A 95 LYS HD2 . 34294 1 1151 . 1 1 95 95 LYS HD3 H 1 1.162 0.020 . . . . . . A 95 LYS HD3 . 34294 1 1152 . 1 1 95 95 LYS HE2 H 1 2.680 0.020 . . . . . . A 95 LYS HE2 . 34294 1 1153 . 1 1 95 95 LYS HE3 H 1 2.680 0.020 . . . . . . A 95 LYS HE3 . 34294 1 1154 . 1 1 95 95 LYS C C 13 181.139 0.300 . . . . . . A 95 LYS C . 34294 1 1155 . 1 1 95 95 LYS CA C 13 59.333 0.300 . . . . . . A 95 LYS CA . 34294 1 1156 . 1 1 95 95 LYS CB C 13 31.471 0.300 . . . . . . A 95 LYS CB . 34294 1 1157 . 1 1 95 95 LYS CG C 13 24.226 0.300 . . . . . . A 95 LYS CG . 34294 1 1158 . 1 1 95 95 LYS CD C 13 29.035 0.300 . . . . . . A 95 LYS CD . 34294 1 1159 . 1 1 95 95 LYS CE C 13 41.494 0.300 . . . . . . A 95 LYS CE . 34294 1 1160 . 1 1 95 95 LYS N N 15 120.318 0.300 . . . . . . A 95 LYS N . 34294 1 1161 . 1 1 96 96 ASP H H 1 9.055 0.020 . . . . . . A 96 ASP H . 34294 1 1162 . 1 1 96 96 ASP HA H 1 4.309 0.020 . . . . . . A 96 ASP HA . 34294 1 1163 . 1 1 96 96 ASP HB2 H 1 2.744 0.020 . . . . . . A 96 ASP HB2 . 34294 1 1164 . 1 1 96 96 ASP HB3 H 1 2.701 0.020 . . . . . . A 96 ASP HB3 . 34294 1 1165 . 1 1 96 96 ASP C C 13 177.247 0.300 . . . . . . A 96 ASP C . 34294 1 1166 . 1 1 96 96 ASP CA C 13 56.479 0.300 . . . . . . A 96 ASP CA . 34294 1 1167 . 1 1 96 96 ASP CB C 13 39.937 0.300 . . . . . . A 96 ASP CB . 34294 1 1168 . 1 1 96 96 ASP N N 15 122.120 0.300 . . . . . . A 96 ASP N . 34294 1 1169 . 1 1 97 97 ASN H H 1 7.726 0.020 . . . . . . A 97 ASN H . 34294 1 1170 . 1 1 97 97 ASN HA H 1 4.598 0.020 . . . . . . A 97 ASN HA . 34294 1 1171 . 1 1 97 97 ASN HB2 H 1 2.842 0.020 . . . . . . A 97 ASN HB2 . 34294 1 1172 . 1 1 97 97 ASN HB3 H 1 2.918 0.020 . . . . . . A 97 ASN HB3 . 34294 1 1173 . 1 1 97 97 ASN HD21 H 1 7.855 0.020 . . . . . . A 97 ASN HD21 . 34294 1 1174 . 1 1 97 97 ASN HD22 H 1 7.495 0.020 . . . . . . A 97 ASN HD22 . 34294 1 1175 . 1 1 97 97 ASN C C 13 172.504 0.300 . . . . . . A 97 ASN C . 34294 1 1176 . 1 1 97 97 ASN CA C 13 53.997 0.300 . . . . . . A 97 ASN CA . 34294 1 1177 . 1 1 97 97 ASN CB C 13 38.777 0.300 . . . . . . A 97 ASN CB . 34294 1 1178 . 1 1 97 97 ASN N N 15 116.611 0.300 . . . . . . A 97 ASN N . 34294 1 1179 . 1 1 97 97 ASN ND2 N 15 113.127 0.300 . . . . . . A 97 ASN ND2 . 34294 1 1180 . 1 1 98 98 LYS H H 1 8.254 0.020 . . . . . . A 98 LYS H . 34294 1 1181 . 1 1 98 98 LYS HA H 1 3.850 0.020 . . . . . . A 98 LYS HA . 34294 1 1182 . 1 1 98 98 LYS HB2 H 1 2.049 0.020 . . . . . . A 98 LYS HB2 . 34294 1 1183 . 1 1 98 98 LYS HB3 H 1 1.931 0.020 . . . . . . A 98 LYS HB3 . 34294 1 1184 . 1 1 98 98 LYS HG2 H 1 1.373 0.020 . . . . . . A 98 LYS HG2 . 34294 1 1185 . 1 1 98 98 LYS HG3 H 1 1.373 0.020 . . . . . . A 98 LYS HG3 . 34294 1 1186 . 1 1 98 98 LYS HD2 H 1 1.733 0.020 . . . . . . A 98 LYS HD2 . 34294 1 1187 . 1 1 98 98 LYS HD3 H 1 1.672 0.020 . . . . . . A 98 LYS HD3 . 34294 1 1188 . 1 1 98 98 LYS HE2 H 1 3.015 0.020 . . . . . . A 98 LYS HE2 . 34294 1 1189 . 1 1 98 98 LYS HE3 H 1 3.015 0.020 . . . . . . A 98 LYS HE3 . 34294 1 1190 . 1 1 98 98 LYS C C 13 176.511 0.300 . . . . . . A 98 LYS C . 34294 1 1191 . 1 1 98 98 LYS CA C 13 56.623 0.300 . . . . . . A 98 LYS CA . 34294 1 1192 . 1 1 98 98 LYS CB C 13 28.711 0.300 . . . . . . A 98 LYS CB . 34294 1 1193 . 1 1 98 98 LYS CG C 13 24.609 0.300 . . . . . . A 98 LYS CG . 34294 1 1194 . 1 1 98 98 LYS CD C 13 28.841 0.300 . . . . . . A 98 LYS CD . 34294 1 1195 . 1 1 98 98 LYS CE C 13 41.928 0.300 . . . . . . A 98 LYS CE . 34294 1 1196 . 1 1 98 98 LYS N N 15 116.507 0.300 . . . . . . A 98 LYS N . 34294 1 1197 . 1 1 99 99 GLN H H 1 7.534 0.020 . . . . . . A 99 GLN H . 34294 1 1198 . 1 1 99 99 GLN HA H 1 4.600 0.020 . . . . . . A 99 GLN HA . 34294 1 1199 . 1 1 99 99 GLN HB2 H 1 2.236 0.020 . . . . . . A 99 GLN HB2 . 34294 1 1200 . 1 1 99 99 GLN HB3 H 1 2.133 0.020 . . . . . . A 99 GLN HB3 . 34294 1 1201 . 1 1 99 99 GLN HG2 H 1 2.569 0.020 . . . . . . A 99 GLN HG2 . 34294 1 1202 . 1 1 99 99 GLN HG3 H 1 2.284 0.020 . . . . . . A 99 GLN HG3 . 34294 1 1203 . 1 1 99 99 GLN HE21 H 1 7.508 0.020 . . . . . . A 99 GLN HE21 . 34294 1 1204 . 1 1 99 99 GLN HE22 H 1 7.005 0.020 . . . . . . A 99 GLN HE22 . 34294 1 1205 . 1 1 99 99 GLN C C 13 178.359 0.300 . . . . . . A 99 GLN C . 34294 1 1206 . 1 1 99 99 GLN CA C 13 55.960 0.300 . . . . . . A 99 GLN CA . 34294 1 1207 . 1 1 99 99 GLN CB C 13 24.883 0.300 . . . . . . A 99 GLN CB . 34294 1 1208 . 1 1 99 99 GLN CG C 13 34.665 0.300 . . . . . . A 99 GLN CG . 34294 1 1209 . 1 1 99 99 GLN N N 15 117.946 0.300 . . . . . . A 99 GLN N . 34294 1 1210 . 1 1 99 99 GLN NE2 N 15 111.257 0.300 . . . . . . A 99 GLN NE2 . 34294 1 1211 . 1 1 100 100 MET H H 1 8.509 0.020 . . . . . . A 100 MET H . 34294 1 1212 . 1 1 100 100 MET HA H 1 4.511 0.020 . . . . . . A 100 MET HA . 34294 1 1213 . 1 1 100 100 MET HB2 H 1 2.230 0.020 . . . . . . A 100 MET HB2 . 34294 1 1214 . 1 1 100 100 MET HB3 H 1 2.174 0.020 . . . . . . A 100 MET HB3 . 34294 1 1215 . 1 1 100 100 MET HG2 H 1 2.847 0.020 . . . . . . A 100 MET HG2 . 34294 1 1216 . 1 1 100 100 MET HG3 H 1 2.567 0.020 . . . . . . A 100 MET HG3 . 34294 1 1217 . 1 1 100 100 MET HE1 H 1 2.114 0.020 . . . . . . A 100 MET HE1 . 34294 1 1218 . 1 1 100 100 MET HE2 H 1 2.114 0.020 . . . . . . A 100 MET HE2 . 34294 1 1219 . 1 1 100 100 MET HE3 H 1 2.114 0.020 . . . . . . A 100 MET HE3 . 34294 1 1220 . 1 1 100 100 MET C C 13 178.113 0.300 . . . . . . A 100 MET C . 34294 1 1221 . 1 1 100 100 MET CA C 13 56.410 0.300 . . . . . . A 100 MET CA . 34294 1 1222 . 1 1 100 100 MET CB C 13 30.465 0.300 . . . . . . A 100 MET CB . 34294 1 1223 . 1 1 100 100 MET CG C 13 31.852 0.300 . . . . . . A 100 MET CG . 34294 1 1224 . 1 1 100 100 MET CE C 13 16.494 0.300 . . . . . . A 100 MET CE . 34294 1 1225 . 1 1 100 100 MET N N 15 124.168 0.300 . . . . . . A 100 MET N . 34294 1 1226 . 1 1 101 101 GLY H H 1 8.817 0.020 . . . . . . A 101 GLY H . 34294 1 1227 . 1 1 101 101 GLY HA2 H 1 4.109 0.020 . . . . . . A 101 GLY HA2 . 34294 1 1228 . 1 1 101 101 GLY HA3 H 1 4.109 0.020 . . . . . . A 101 GLY HA3 . 34294 1 1229 . 1 1 101 101 GLY C C 13 174.695 0.300 . . . . . . A 101 GLY C . 34294 1 1230 . 1 1 101 101 GLY CA C 13 46.056 0.300 . . . . . . A 101 GLY CA . 34294 1 1231 . 1 1 101 101 GLY N N 15 109.102 0.300 . . . . . . A 101 GLY N . 34294 1 1232 . 1 1 102 102 LEU H H 1 6.918 0.020 . . . . . . A 102 LEU H . 34294 1 1233 . 1 1 102 102 LEU HA H 1 4.319 0.020 . . . . . . A 102 LEU HA . 34294 1 1234 . 1 1 102 102 LEU HB2 H 1 1.737 0.020 . . . . . . A 102 LEU HB2 . 34294 1 1235 . 1 1 102 102 LEU HB3 H 1 1.790 0.020 . . . . . . A 102 LEU HB3 . 34294 1 1236 . 1 1 102 102 LEU HG H 1 1.550 0.020 . . . . . . A 102 LEU HG . 34294 1 1237 . 1 1 102 102 LEU HD11 H 1 1.063 0.020 . . . . . . A 102 LEU HD11 . 34294 1 1238 . 1 1 102 102 LEU HD12 H 1 1.063 0.020 . . . . . . A 102 LEU HD12 . 34294 1 1239 . 1 1 102 102 LEU HD13 H 1 1.063 0.020 . . . . . . A 102 LEU HD13 . 34294 1 1240 . 1 1 102 102 LEU HD21 H 1 0.499 0.020 . . . . . . A 102 LEU HD21 . 34294 1 1241 . 1 1 102 102 LEU HD22 H 1 0.499 0.020 . . . . . . A 102 LEU HD22 . 34294 1 1242 . 1 1 102 102 LEU HD23 H 1 0.499 0.020 . . . . . . A 102 LEU HD23 . 34294 1 1243 . 1 1 102 102 LEU C C 13 174.875 0.300 . . . . . . A 102 LEU C . 34294 1 1244 . 1 1 102 102 LEU CA C 13 53.140 0.300 . . . . . . A 102 LEU CA . 34294 1 1245 . 1 1 102 102 LEU CB C 13 41.777 0.300 . . . . . . A 102 LEU CB . 34294 1 1246 . 1 1 102 102 LEU CG C 13 26.297 0.300 . . . . . . A 102 LEU CG . 34294 1 1247 . 1 1 102 102 LEU CD1 C 13 28.450 0.300 . . . . . . A 102 LEU CD1 . 34294 1 1248 . 1 1 102 102 LEU CD2 C 13 23.632 0.300 . . . . . . A 102 LEU CD2 . 34294 1 1249 . 1 1 102 102 LEU N N 15 117.705 0.300 . . . . . . A 102 LEU N . 34294 1 1250 . 1 1 103 103 GLN H H 1 7.160 0.020 . . . . . . A 103 GLN H . 34294 1 1251 . 1 1 103 103 GLN HA H 1 3.823 0.020 . . . . . . A 103 GLN HA . 34294 1 1252 . 1 1 103 103 GLN HB2 H 1 2.299 0.020 . . . . . . A 103 GLN HB2 . 34294 1 1253 . 1 1 103 103 GLN HB3 H 1 2.128 0.020 . . . . . . A 103 GLN HB3 . 34294 1 1254 . 1 1 103 103 GLN HG2 H 1 2.568 0.020 . . . . . . A 103 GLN HG2 . 34294 1 1255 . 1 1 103 103 GLN HG3 H 1 2.568 0.020 . . . . . . A 103 GLN HG3 . 34294 1 1256 . 1 1 103 103 GLN C C 13 173.240 0.300 . . . . . . A 103 GLN C . 34294 1 1257 . 1 1 103 103 GLN CA C 13 54.920 0.300 . . . . . . A 103 GLN CA . 34294 1 1258 . 1 1 103 103 GLN CB C 13 27.189 0.300 . . . . . . A 103 GLN CB . 34294 1 1259 . 1 1 103 103 GLN CG C 13 33.561 0.300 . . . . . . A 103 GLN CG . 34294 1 1260 . 1 1 103 103 GLN N N 15 117.237 0.300 . . . . . . A 103 GLN N . 34294 1 1261 . 1 1 104 104 PRO HA H 1 4.742 0.020 . . . . . . A 104 PRO HA . 34294 1 1262 . 1 1 104 104 PRO HB2 H 1 2.471 0.020 . . . . . . A 104 PRO HB2 . 34294 1 1263 . 1 1 104 104 PRO HB3 H 1 2.152 0.020 . . . . . . A 104 PRO HB3 . 34294 1 1264 . 1 1 104 104 PRO HG2 H 1 2.010 0.020 . . . . . . A 104 PRO HG2 . 34294 1 1265 . 1 1 104 104 PRO HG3 H 1 1.965 0.020 . . . . . . A 104 PRO HG3 . 34294 1 1266 . 1 1 104 104 PRO HD2 H 1 3.561 0.020 . . . . . . A 104 PRO HD2 . 34294 1 1267 . 1 1 104 104 PRO HD3 H 1 3.528 0.020 . . . . . . A 104 PRO HD3 . 34294 1 1268 . 1 1 104 104 PRO C C 13 175.660 0.300 . . . . . . A 104 PRO C . 34294 1 1269 . 1 1 104 104 PRO CA C 13 61.402 0.300 . . . . . . A 104 PRO CA . 34294 1 1270 . 1 1 104 104 PRO CB C 13 34.287 0.300 . . . . . . A 104 PRO CB . 34294 1 1271 . 1 1 104 104 PRO CG C 13 24.147 0.300 . . . . . . A 104 PRO CG . 34294 1 1272 . 1 1 104 104 PRO CD C 13 50.505 0.300 . . . . . . A 104 PRO CD . 34294 1 1273 . 1 1 105 105 TYR H H 1 8.817 0.020 . . . . . . A 105 TYR H . 34294 1 1274 . 1 1 105 105 TYR HA H 1 4.129 0.020 . . . . . . A 105 TYR HA . 34294 1 1275 . 1 1 105 105 TYR HB2 H 1 2.550 0.020 . . . . . . A 105 TYR HB2 . 34294 1 1276 . 1 1 105 105 TYR HB3 H 1 2.550 0.020 . . . . . . A 105 TYR HB3 . 34294 1 1277 . 1 1 105 105 TYR HD1 H 1 6.690 0.020 . . . . . . A 105 TYR HD1 . 34294 1 1278 . 1 1 105 105 TYR HD2 H 1 6.690 0.020 . . . . . . A 105 TYR HD2 . 34294 1 1279 . 1 1 105 105 TYR HE1 H 1 6.682 0.020 . . . . . . A 105 TYR HE1 . 34294 1 1280 . 1 1 105 105 TYR HE2 H 1 6.682 0.020 . . . . . . A 105 TYR HE2 . 34294 1 1281 . 1 1 105 105 TYR C C 13 173.174 0.300 . . . . . . A 105 TYR C . 34294 1 1282 . 1 1 105 105 TYR CA C 13 57.300 0.300 . . . . . . A 105 TYR CA . 34294 1 1283 . 1 1 105 105 TYR CB C 13 37.546 0.300 . . . . . . A 105 TYR CB . 34294 1 1284 . 1 1 105 105 TYR CD1 C 13 131.911 0.300 . . . . . . A 105 TYR CD1 . 34294 1 1285 . 1 1 105 105 TYR CE1 C 13 117.867 0.300 . . . . . . A 105 TYR CE1 . 34294 1 1286 . 1 1 105 105 TYR N N 15 122.219 0.300 . . . . . . A 105 TYR N . 34294 1 1287 . 1 1 106 106 PRO HA H 1 4.475 0.020 . . . . . . A 106 PRO HA . 34294 1 1288 . 1 1 106 106 PRO HB2 H 1 1.581 0.020 . . . . . . A 106 PRO HB2 . 34294 1 1289 . 1 1 106 106 PRO HB3 H 1 2.084 0.020 . . . . . . A 106 PRO HB3 . 34294 1 1290 . 1 1 106 106 PRO HG2 H 1 1.477 0.020 . . . . . . A 106 PRO HG2 . 34294 1 1291 . 1 1 106 106 PRO HG3 H 1 1.412 0.020 . . . . . . A 106 PRO HG3 . 34294 1 1292 . 1 1 106 106 PRO HD2 H 1 2.711 0.020 . . . . . . A 106 PRO HD2 . 34294 1 1293 . 1 1 106 106 PRO HD3 H 1 1.706 0.020 . . . . . . A 106 PRO HD3 . 34294 1 1294 . 1 1 106 106 PRO C C 13 176.020 0.300 . . . . . . A 106 PRO C . 34294 1 1295 . 1 1 106 106 PRO CA C 13 62.137 0.300 . . . . . . A 106 PRO CA . 34294 1 1296 . 1 1 106 106 PRO CB C 13 30.808 0.300 . . . . . . A 106 PRO CB . 34294 1 1297 . 1 1 106 106 PRO CG C 13 26.671 0.300 . . . . . . A 106 PRO CG . 34294 1 1298 . 1 1 106 106 PRO CD C 13 47.854 0.300 . . . . . . A 106 PRO CD . 34294 1 1299 . 1 1 107 107 GLU H H 1 8.647 0.020 . . . . . . A 107 GLU H . 34294 1 1300 . 1 1 107 107 GLU HA H 1 4.165 0.020 . . . . . . A 107 GLU HA . 34294 1 1301 . 1 1 107 107 GLU HB2 H 1 2.050 0.020 . . . . . . A 107 GLU HB2 . 34294 1 1302 . 1 1 107 107 GLU HB3 H 1 1.946 0.020 . . . . . . A 107 GLU HB3 . 34294 1 1303 . 1 1 107 107 GLU HG2 H 1 2.353 0.020 . . . . . . A 107 GLU HG2 . 34294 1 1304 . 1 1 107 107 GLU HG3 H 1 2.315 0.020 . . . . . . A 107 GLU HG3 . 34294 1 1305 . 1 1 107 107 GLU C C 13 175.938 0.300 . . . . . . A 107 GLU C . 34294 1 1306 . 1 1 107 107 GLU CA C 13 56.505 0.300 . . . . . . A 107 GLU CA . 34294 1 1307 . 1 1 107 107 GLU CB C 13 28.539 0.300 . . . . . . A 107 GLU CB . 34294 1 1308 . 1 1 107 107 GLU CG C 13 34.432 0.300 . . . . . . A 107 GLU CG . 34294 1 1309 . 1 1 107 107 GLU N N 15 123.427 0.300 . . . . . . A 107 GLU N . 34294 1 1310 . 1 1 108 108 VAL H H 1 7.838 0.020 . . . . . . A 108 VAL H . 34294 1 1311 . 1 1 108 108 VAL HA H 1 4.117 0.020 . . . . . . A 108 VAL HA . 34294 1 1312 . 1 1 108 108 VAL HB H 1 2.058 0.020 . . . . . . A 108 VAL HB . 34294 1 1313 . 1 1 108 108 VAL HG11 H 1 0.840 0.020 . . . . . . A 108 VAL HG11 . 34294 1 1314 . 1 1 108 108 VAL HG12 H 1 0.840 0.020 . . . . . . A 108 VAL HG12 . 34294 1 1315 . 1 1 108 108 VAL HG13 H 1 0.840 0.020 . . . . . . A 108 VAL HG13 . 34294 1 1316 . 1 1 108 108 VAL HG21 H 1 0.830 0.020 . . . . . . A 108 VAL HG21 . 34294 1 1317 . 1 1 108 108 VAL HG22 H 1 0.830 0.020 . . . . . . A 108 VAL HG22 . 34294 1 1318 . 1 1 108 108 VAL HG23 H 1 0.830 0.020 . . . . . . A 108 VAL HG23 . 34294 1 1319 . 1 1 108 108 VAL C C 13 174.810 0.300 . . . . . . A 108 VAL C . 34294 1 1320 . 1 1 108 108 VAL CA C 13 61.460 0.300 . . . . . . A 108 VAL CA . 34294 1 1321 . 1 1 108 108 VAL CB C 13 32.300 0.300 . . . . . . A 108 VAL CB . 34294 1 1322 . 1 1 108 108 VAL CG1 C 13 20.770 0.300 . . . . . . A 108 VAL CG1 . 34294 1 1323 . 1 1 108 108 VAL CG2 C 13 19.544 0.300 . . . . . . A 108 VAL CG2 . 34294 1 1324 . 1 1 108 108 VAL N N 15 117.874 0.300 . . . . . . A 108 VAL N . 34294 1 1325 . 1 1 109 109 LEU H H 1 7.930 0.020 . . . . . . A 109 LEU H . 34294 1 1326 . 1 1 109 109 LEU HA H 1 4.349 0.020 . . . . . . A 109 LEU HA . 34294 1 1327 . 1 1 109 109 LEU HB2 H 1 1.590 0.020 . . . . . . A 109 LEU HB2 . 34294 1 1328 . 1 1 109 109 LEU HB3 H 1 1.541 0.020 . . . . . . A 109 LEU HB3 . 34294 1 1329 . 1 1 109 109 LEU HG H 1 1.515 0.020 . . . . . . A 109 LEU HG . 34294 1 1330 . 1 1 109 109 LEU HD11 H 1 0.827 0.020 . . . . . . A 109 LEU HD11 . 34294 1 1331 . 1 1 109 109 LEU HD12 H 1 0.827 0.020 . . . . . . A 109 LEU HD12 . 34294 1 1332 . 1 1 109 109 LEU HD13 H 1 0.827 0.020 . . . . . . A 109 LEU HD13 . 34294 1 1333 . 1 1 109 109 LEU HD21 H 1 0.790 0.020 . . . . . . A 109 LEU HD21 . 34294 1 1334 . 1 1 109 109 LEU HD22 H 1 0.790 0.020 . . . . . . A 109 LEU HD22 . 34294 1 1335 . 1 1 109 109 LEU HD23 H 1 0.790 0.020 . . . . . . A 109 LEU HD23 . 34294 1 1336 . 1 1 109 109 LEU C C 13 176.249 0.300 . . . . . . A 109 LEU C . 34294 1 1337 . 1 1 109 109 LEU CA C 13 54.321 0.300 . . . . . . A 109 LEU CA . 34294 1 1338 . 1 1 109 109 LEU CB C 13 41.977 0.300 . . . . . . A 109 LEU CB . 34294 1 1339 . 1 1 109 109 LEU CG C 13 26.547 0.300 . . . . . . A 109 LEU CG . 34294 1 1340 . 1 1 109 109 LEU CD1 C 13 24.643 0.300 . . . . . . A 109 LEU CD1 . 34294 1 1341 . 1 1 109 109 LEU CD2 C 13 23.031 0.300 . . . . . . A 109 LEU CD2 . 34294 1 1342 . 1 1 109 109 LEU N N 15 123.085 0.300 . . . . . . A 109 LEU N . 34294 1 1343 . 1 1 110 110 LEU H H 1 8.060 0.020 . . . . . . A 110 LEU H . 34294 1 1344 . 1 1 110 110 LEU HA H 1 4.348 0.020 . . . . . . A 110 LEU HA . 34294 1 1345 . 1 1 110 110 LEU HB2 H 1 1.593 0.020 . . . . . . A 110 LEU HB2 . 34294 1 1346 . 1 1 110 110 LEU HB3 H 1 1.525 0.020 . . . . . . A 110 LEU HB3 . 34294 1 1347 . 1 1 110 110 LEU HG H 1 1.544 0.020 . . . . . . A 110 LEU HG . 34294 1 1348 . 1 1 110 110 LEU HD11 H 1 0.834 0.020 . . . . . . A 110 LEU HD11 . 34294 1 1349 . 1 1 110 110 LEU HD12 H 1 0.834 0.020 . . . . . . A 110 LEU HD12 . 34294 1 1350 . 1 1 110 110 LEU HD13 H 1 0.834 0.020 . . . . . . A 110 LEU HD13 . 34294 1 1351 . 1 1 110 110 LEU HD21 H 1 0.767 0.020 . . . . . . A 110 LEU HD21 . 34294 1 1352 . 1 1 110 110 LEU HD22 H 1 0.767 0.020 . . . . . . A 110 LEU HD22 . 34294 1 1353 . 1 1 110 110 LEU HD23 H 1 0.767 0.020 . . . . . . A 110 LEU HD23 . 34294 1 1354 . 1 1 110 110 LEU C C 13 176.445 0.300 . . . . . . A 110 LEU C . 34294 1 1355 . 1 1 110 110 LEU CA C 13 54.554 0.300 . . . . . . A 110 LEU CA . 34294 1 1356 . 1 1 110 110 LEU CB C 13 41.923 0.300 . . . . . . A 110 LEU CB . 34294 1 1357 . 1 1 110 110 LEU CG C 13 26.538 0.300 . . . . . . A 110 LEU CG . 34294 1 1358 . 1 1 110 110 LEU CD1 C 13 24.633 0.300 . . . . . . A 110 LEU CD1 . 34294 1 1359 . 1 1 110 110 LEU CD2 C 13 23.044 0.300 . . . . . . A 110 LEU CD2 . 34294 1 1360 . 1 1 110 110 LEU N N 15 122.677 0.300 . . . . . . A 110 LEU N . 34294 1 1361 . 1 1 111 111 VAL H H 1 7.956 0.020 . . . . . . A 111 VAL H . 34294 1 1362 . 1 1 111 111 VAL HA H 1 4.134 0.020 . . . . . . A 111 VAL HA . 34294 1 1363 . 1 1 111 111 VAL HB H 1 2.040 0.020 . . . . . . A 111 VAL HB . 34294 1 1364 . 1 1 111 111 VAL HG11 H 1 0.898 0.020 . . . . . . A 111 VAL HG11 . 34294 1 1365 . 1 1 111 111 VAL HG12 H 1 0.898 0.020 . . . . . . A 111 VAL HG12 . 34294 1 1366 . 1 1 111 111 VAL HG13 H 1 0.898 0.020 . . . . . . A 111 VAL HG13 . 34294 1 1367 . 1 1 111 111 VAL HG21 H 1 0.893 0.020 . . . . . . A 111 VAL HG21 . 34294 1 1368 . 1 1 111 111 VAL HG22 H 1 0.893 0.020 . . . . . . A 111 VAL HG22 . 34294 1 1369 . 1 1 111 111 VAL HG23 H 1 0.893 0.020 . . . . . . A 111 VAL HG23 . 34294 1 1370 . 1 1 111 111 VAL C C 13 175.448 0.300 . . . . . . A 111 VAL C . 34294 1 1371 . 1 1 111 111 VAL CA C 13 61.500 0.300 . . . . . . A 111 VAL CA . 34294 1 1372 . 1 1 111 111 VAL CB C 13 32.600 0.300 . . . . . . A 111 VAL CB . 34294 1 1373 . 1 1 111 111 VAL CG1 C 13 20.689 0.300 . . . . . . A 111 VAL CG1 . 34294 1 1374 . 1 1 111 111 VAL CG2 C 13 20.004 0.300 . . . . . . A 111 VAL CG2 . 34294 1 1375 . 1 1 111 111 VAL N N 15 120.421 0.300 . . . . . . A 111 VAL N . 34294 1 1376 . 1 1 112 112 SER H H 1 8.377 0.020 . . . . . . A 112 SER H . 34294 1 1377 . 1 1 112 112 SER HA H 1 4.448 0.020 . . . . . . A 112 SER HA . 34294 1 1378 . 1 1 112 112 SER HB2 H 1 3.828 0.020 . . . . . . A 112 SER HB2 . 34294 1 1379 . 1 1 112 112 SER HB3 H 1 3.828 0.020 . . . . . . A 112 SER HB3 . 34294 1 1380 . 1 1 112 112 SER C C 13 173.534 0.300 . . . . . . A 112 SER C . 34294 1 1381 . 1 1 112 112 SER CA C 13 57.710 0.300 . . . . . . A 112 SER CA . 34294 1 1382 . 1 1 112 112 SER CB C 13 63.469 0.300 . . . . . . A 112 SER CB . 34294 1 1383 . 1 1 112 112 SER N N 15 119.937 0.300 . . . . . . A 112 SER N . 34294 1 1384 . 1 1 113 113 ARG H H 1 8.402 0.020 . . . . . . A 113 ARG H . 34294 1 1385 . 1 1 113 113 ARG HA H 1 4.412 0.020 . . . . . . A 113 ARG HA . 34294 1 1386 . 1 1 113 113 ARG HB2 H 1 1.864 0.020 . . . . . . A 113 ARG HB2 . 34294 1 1387 . 1 1 113 113 ARG HB3 H 1 1.743 0.020 . . . . . . A 113 ARG HB3 . 34294 1 1388 . 1 1 113 113 ARG HG2 H 1 1.628 0.020 . . . . . . A 113 ARG HG2 . 34294 1 1389 . 1 1 113 113 ARG HG3 H 1 1.594 0.020 . . . . . . A 113 ARG HG3 . 34294 1 1390 . 1 1 113 113 ARG HD2 H 1 3.182 0.020 . . . . . . A 113 ARG HD2 . 34294 1 1391 . 1 1 113 113 ARG HD3 H 1 3.182 0.020 . . . . . . A 113 ARG HD3 . 34294 1 1392 . 1 1 113 113 ARG C C 13 175.709 0.300 . . . . . . A 113 ARG C . 34294 1 1393 . 1 1 113 113 ARG CA C 13 55.502 0.300 . . . . . . A 113 ARG CA . 34294 1 1394 . 1 1 113 113 ARG CB C 13 30.521 0.300 . . . . . . A 113 ARG CB . 34294 1 1395 . 1 1 113 113 ARG CG C 13 26.660 0.300 . . . . . . A 113 ARG CG . 34294 1 1396 . 1 1 113 113 ARG CD C 13 42.911 0.300 . . . . . . A 113 ARG CD . 34294 1 1397 . 1 1 113 113 ARG N N 15 123.320 0.300 . . . . . . A 113 ARG N . 34294 1 1398 . 1 1 114 114 THR H H 1 8.267 0.020 . . . . . . A 114 THR H . 34294 1 1399 . 1 1 114 114 THR HA H 1 4.577 0.020 . . . . . . A 114 THR HA . 34294 1 1400 . 1 1 114 114 THR HB H 1 4.159 0.020 . . . . . . A 114 THR HB . 34294 1 1401 . 1 1 114 114 THR HG21 H 1 1.239 0.020 . . . . . . A 114 THR HG21 . 34294 1 1402 . 1 1 114 114 THR HG22 H 1 1.239 0.020 . . . . . . A 114 THR HG22 . 34294 1 1403 . 1 1 114 114 THR HG23 H 1 1.239 0.020 . . . . . . A 114 THR HG23 . 34294 1 1404 . 1 1 114 114 THR C C 13 172.504 0.300 . . . . . . A 114 THR C . 34294 1 1405 . 1 1 114 114 THR CA C 13 59.450 0.300 . . . . . . A 114 THR CA . 34294 1 1406 . 1 1 114 114 THR CB C 13 69.219 0.300 . . . . . . A 114 THR CB . 34294 1 1407 . 1 1 114 114 THR CG2 C 13 21.105 0.300 . . . . . . A 114 THR CG2 . 34294 1 1408 . 1 1 114 114 THR N N 15 118.114 0.300 . . . . . . A 114 THR N . 34294 1 1409 . 1 1 115 115 PRO HA H 1 4.440 0.020 . . . . . . A 115 PRO HA . 34294 1 1410 . 1 1 115 115 PRO HB2 H 1 2.323 0.020 . . . . . . A 115 PRO HB2 . 34294 1 1411 . 1 1 115 115 PRO HB3 H 1 1.946 0.020 . . . . . . A 115 PRO HB3 . 34294 1 1412 . 1 1 115 115 PRO HG2 H 1 2.053 0.020 . . . . . . A 115 PRO HG2 . 34294 1 1413 . 1 1 115 115 PRO HG3 H 1 1.971 0.020 . . . . . . A 115 PRO HG3 . 34294 1 1414 . 1 1 115 115 PRO HD2 H 1 3.865 0.020 . . . . . . A 115 PRO HD2 . 34294 1 1415 . 1 1 115 115 PRO HD3 H 1 3.720 0.020 . . . . . . A 115 PRO HD3 . 34294 1 1416 . 1 1 115 115 PRO C C 13 176.576 0.300 . . . . . . A 115 PRO C . 34294 1 1417 . 1 1 115 115 PRO CA C 13 62.998 0.300 . . . . . . A 115 PRO CA . 34294 1 1418 . 1 1 115 115 PRO CB C 13 31.693 0.300 . . . . . . A 115 PRO CB . 34294 1 1419 . 1 1 115 115 PRO CG C 13 26.991 0.300 . . . . . . A 115 PRO CG . 34294 1 1420 . 1 1 115 115 PRO CD C 13 50.681 0.300 . . . . . . A 115 PRO CD . 34294 1 1421 . 1 1 116 116 SER H H 1 8.387 0.020 . . . . . . A 116 SER H . 34294 1 1422 . 1 1 116 116 SER HA H 1 4.440 0.020 . . . . . . A 116 SER HA . 34294 1 1423 . 1 1 116 116 SER HB2 H 1 3.915 0.020 . . . . . . A 116 SER HB2 . 34294 1 1424 . 1 1 116 116 SER HB3 H 1 3.857 0.020 . . . . . . A 116 SER HB3 . 34294 1 1425 . 1 1 116 116 SER C C 13 174.254 0.300 . . . . . . A 116 SER C . 34294 1 1426 . 1 1 116 116 SER CA C 13 57.958 0.300 . . . . . . A 116 SER CA . 34294 1 1427 . 1 1 116 116 SER CB C 13 63.392 0.300 . . . . . . A 116 SER CB . 34294 1 1428 . 1 1 116 116 SER N N 15 115.958 0.300 . . . . . . A 116 SER N . 34294 1 1429 . 1 1 117 117 SER H H 1 8.300 0.020 . . . . . . A 117 SER H . 34294 1 1430 . 1 1 117 117 SER HA H 1 4.442 0.020 . . . . . . A 117 SER HA . 34294 1 1431 . 1 1 117 117 SER HB2 H 1 3.900 0.020 . . . . . . A 117 SER HB2 . 34294 1 1432 . 1 1 117 117 SER HB3 H 1 3.848 0.020 . . . . . . A 117 SER HB3 . 34294 1 1433 . 1 1 117 117 SER C C 13 173.829 0.300 . . . . . . A 117 SER C . 34294 1 1434 . 1 1 117 117 SER CA C 13 57.988 0.300 . . . . . . A 117 SER CA . 34294 1 1435 . 1 1 117 117 SER CB C 13 63.402 0.300 . . . . . . A 117 SER CB . 34294 1 1436 . 1 1 117 117 SER N N 15 117.324 0.300 . . . . . . A 117 SER N . 34294 1 1437 . 1 1 118 118 ASN H H 1 8.422 0.020 . . . . . . A 118 ASN H . 34294 1 1438 . 1 1 118 118 ASN HA H 1 4.710 0.020 . . . . . . A 118 ASN HA . 34294 1 1439 . 1 1 118 118 ASN HB2 H 1 2.823 0.020 . . . . . . A 118 ASN HB2 . 34294 1 1440 . 1 1 118 118 ASN HB3 H 1 2.754 0.020 . . . . . . A 118 ASN HB3 . 34294 1 1441 . 1 1 118 118 ASN C C 13 174.826 0.300 . . . . . . A 118 ASN C . 34294 1 1442 . 1 1 118 118 ASN CA C 13 52.930 0.300 . . . . . . A 118 ASN CA . 34294 1 1443 . 1 1 118 118 ASN CB C 13 38.299 0.300 . . . . . . A 118 ASN CB . 34294 1 1444 . 1 1 118 118 ASN N N 15 120.845 0.300 . . . . . . A 118 ASN N . 34294 1 1445 . 1 1 119 119 VAL H H 1 7.991 0.020 . . . . . . A 119 VAL H . 34294 1 1446 . 1 1 119 119 VAL HA H 1 4.081 0.020 . . . . . . A 119 VAL HA . 34294 1 1447 . 1 1 119 119 VAL HB H 1 2.090 0.020 . . . . . . A 119 VAL HB . 34294 1 1448 . 1 1 119 119 VAL HG11 H 1 0.920 0.020 . . . . . . A 119 VAL HG11 . 34294 1 1449 . 1 1 119 119 VAL HG12 H 1 0.920 0.020 . . . . . . A 119 VAL HG12 . 34294 1 1450 . 1 1 119 119 VAL HG13 H 1 0.920 0.020 . . . . . . A 119 VAL HG13 . 34294 1 1451 . 1 1 119 119 VAL HG21 H 1 0.928 0.020 . . . . . . A 119 VAL HG21 . 34294 1 1452 . 1 1 119 119 VAL HG22 H 1 0.928 0.020 . . . . . . A 119 VAL HG22 . 34294 1 1453 . 1 1 119 119 VAL HG23 H 1 0.928 0.020 . . . . . . A 119 VAL HG23 . 34294 1 1454 . 1 1 119 119 VAL C C 13 175.807 0.300 . . . . . . A 119 VAL C . 34294 1 1455 . 1 1 119 119 VAL CA C 13 62.240 0.300 . . . . . . A 119 VAL CA . 34294 1 1456 . 1 1 119 119 VAL CB C 13 32.118 0.300 . . . . . . A 119 VAL CB . 34294 1 1457 . 1 1 119 119 VAL CG1 C 13 20.697 0.300 . . . . . . A 119 VAL CG1 . 34294 1 1458 . 1 1 119 119 VAL CG2 C 13 19.994 0.300 . . . . . . A 119 VAL CG2 . 34294 1 1459 . 1 1 119 119 VAL N N 15 119.968 0.300 . . . . . . A 119 VAL N . 34294 1 1460 . 1 1 120 120 LEU H H 1 8.217 0.020 . . . . . . A 120 LEU H . 34294 1 1461 . 1 1 120 120 LEU HA H 1 4.331 0.020 . . . . . . A 120 LEU HA . 34294 1 1462 . 1 1 120 120 LEU HB2 H 1 1.655 0.020 . . . . . . A 120 LEU HB2 . 34294 1 1463 . 1 1 120 120 LEU HB3 H 1 1.567 0.020 . . . . . . A 120 LEU HB3 . 34294 1 1464 . 1 1 120 120 LEU HG H 1 1.607 0.020 . . . . . . A 120 LEU HG . 34294 1 1465 . 1 1 120 120 LEU HD11 H 1 0.920 0.020 . . . . . . A 120 LEU HD11 . 34294 1 1466 . 1 1 120 120 LEU HD12 H 1 0.920 0.020 . . . . . . A 120 LEU HD12 . 34294 1 1467 . 1 1 120 120 LEU HD13 H 1 0.920 0.020 . . . . . . A 120 LEU HD13 . 34294 1 1468 . 1 1 120 120 LEU HD21 H 1 0.862 0.020 . . . . . . A 120 LEU HD21 . 34294 1 1469 . 1 1 120 120 LEU HD22 H 1 0.862 0.020 . . . . . . A 120 LEU HD22 . 34294 1 1470 . 1 1 120 120 LEU HD23 H 1 0.862 0.020 . . . . . . A 120 LEU HD23 . 34294 1 1471 . 1 1 120 120 LEU C C 13 176.854 0.300 . . . . . . A 120 LEU C . 34294 1 1472 . 1 1 120 120 LEU CA C 13 54.844 0.300 . . . . . . A 120 LEU CA . 34294 1 1473 . 1 1 120 120 LEU CB C 13 41.686 0.300 . . . . . . A 120 LEU CB . 34294 1 1474 . 1 1 120 120 LEU CG C 13 26.568 0.300 . . . . . . A 120 LEU CG . 34294 1 1475 . 1 1 120 120 LEU CD1 C 13 24.477 0.300 . . . . . . A 120 LEU CD1 . 34294 1 1476 . 1 1 120 120 LEU CD2 C 13 23.002 0.300 . . . . . . A 120 LEU CD2 . 34294 1 1477 . 1 1 120 120 LEU N N 15 124.920 0.300 . . . . . . A 120 LEU N . 34294 1 1478 . 1 1 121 121 GLN H H 1 8.247 0.020 . . . . . . A 121 GLN H . 34294 1 1479 . 1 1 121 121 GLN HA H 1 4.304 0.020 . . . . . . A 121 GLN HA . 34294 1 1480 . 1 1 121 121 GLN HB2 H 1 2.083 0.020 . . . . . . A 121 GLN HB2 . 34294 1 1481 . 1 1 121 121 GLN HB3 H 1 1.964 0.020 . . . . . . A 121 GLN HB3 . 34294 1 1482 . 1 1 121 121 GLN HG2 H 1 2.345 0.020 . . . . . . A 121 GLN HG2 . 34294 1 1483 . 1 1 121 121 GLN HG3 H 1 2.345 0.020 . . . . . . A 121 GLN HG3 . 34294 1 1484 . 1 1 121 121 GLN C C 13 175.170 0.300 . . . . . . A 121 GLN C . 34294 1 1485 . 1 1 121 121 GLN CA C 13 55.436 0.300 . . . . . . A 121 GLN CA . 34294 1 1486 . 1 1 121 121 GLN CB C 13 28.995 0.300 . . . . . . A 121 GLN CB . 34294 1 1487 . 1 1 121 121 GLN CG C 13 33.345 0.300 . . . . . . A 121 GLN CG . 34294 1 1488 . 1 1 121 121 GLN N N 15 120.699 0.300 . . . . . . A 121 GLN N . 34294 1 1489 . 1 1 122 122 ASN H H 1 8.358 0.020 . . . . . . A 122 ASN H . 34294 1 1490 . 1 1 122 122 ASN HA H 1 4.673 0.020 . . . . . . A 122 ASN HA . 34294 1 1491 . 1 1 122 122 ASN HB2 H 1 2.816 0.020 . . . . . . A 122 ASN HB2 . 34294 1 1492 . 1 1 122 122 ASN HB3 H 1 2.751 0.020 . . . . . . A 122 ASN HB3 . 34294 1 1493 . 1 1 122 122 ASN C C 13 174.532 0.300 . . . . . . A 122 ASN C . 34294 1 1494 . 1 1 122 122 ASN CA C 13 52.879 0.300 . . . . . . A 122 ASN CA . 34294 1 1495 . 1 1 122 122 ASN CB C 13 38.417 0.300 . . . . . . A 122 ASN CB . 34294 1 1496 . 1 1 122 122 ASN N N 15 119.796 0.300 . . . . . . A 122 ASN N . 34294 1 1497 . 1 1 123 123 LYS H H 1 8.257 0.020 . . . . . . A 123 LYS H . 34294 1 1498 . 1 1 123 123 LYS HA H 1 4.390 0.020 . . . . . . A 123 LYS HA . 34294 1 1499 . 1 1 123 123 LYS HB2 H 1 1.858 0.020 . . . . . . A 123 LYS HB2 . 34294 1 1500 . 1 1 123 123 LYS HB3 H 1 1.756 0.020 . . . . . . A 123 LYS HB3 . 34294 1 1501 . 1 1 123 123 LYS HG2 H 1 1.431 0.020 . . . . . . A 123 LYS HG2 . 34294 1 1502 . 1 1 123 123 LYS HG3 H 1 1.403 0.020 . . . . . . A 123 LYS HG3 . 34294 1 1503 . 1 1 123 123 LYS HD2 H 1 1.676 0.020 . . . . . . A 123 LYS HD2 . 34294 1 1504 . 1 1 123 123 LYS HD3 H 1 1.676 0.020 . . . . . . A 123 LYS HD3 . 34294 1 1505 . 1 1 123 123 LYS HE2 H 1 2.989 0.020 . . . . . . A 123 LYS HE2 . 34294 1 1506 . 1 1 123 123 LYS HE3 H 1 2.989 0.020 . . . . . . A 123 LYS HE3 . 34294 1 1507 . 1 1 123 123 LYS C C 13 176.004 0.300 . . . . . . A 123 LYS C . 34294 1 1508 . 1 1 123 123 LYS CA C 13 55.929 0.300 . . . . . . A 123 LYS CA . 34294 1 1509 . 1 1 123 123 LYS CB C 13 32.745 0.300 . . . . . . A 123 LYS CB . 34294 1 1510 . 1 1 123 123 LYS CG C 13 24.214 0.300 . . . . . . A 123 LYS CG . 34294 1 1511 . 1 1 123 123 LYS CD C 13 28.649 0.300 . . . . . . A 123 LYS CD . 34294 1 1512 . 1 1 123 123 LYS CE C 13 41.746 0.300 . . . . . . A 123 LYS CE . 34294 1 1513 . 1 1 123 123 LYS N N 15 121.738 0.300 . . . . . . A 123 LYS N . 34294 1 1514 . 1 1 124 124 THR H H 1 8.205 0.020 . . . . . . A 124 THR H . 34294 1 1515 . 1 1 124 124 THR HA H 1 4.319 0.020 . . . . . . A 124 THR HA . 34294 1 1516 . 1 1 124 124 THR HB H 1 4.211 0.020 . . . . . . A 124 THR HB . 34294 1 1517 . 1 1 124 124 THR HG21 H 1 1.202 0.020 . . . . . . A 124 THR HG21 . 34294 1 1518 . 1 1 124 124 THR HG22 H 1 1.202 0.020 . . . . . . A 124 THR HG22 . 34294 1 1519 . 1 1 124 124 THR HG23 H 1 1.202 0.020 . . . . . . A 124 THR HG23 . 34294 1 1520 . 1 1 124 124 THR C C 13 173.289 0.300 . . . . . . A 124 THR C . 34294 1 1521 . 1 1 124 124 THR CA C 13 61.522 0.300 . . . . . . A 124 THR CA . 34294 1 1522 . 1 1 124 124 THR CB C 13 69.454 0.300 . . . . . . A 124 THR CB . 34294 1 1523 . 1 1 124 124 THR CG2 C 13 21.208 0.300 . . . . . . A 124 THR CG2 . 34294 1 1524 . 1 1 124 124 THR N N 15 116.268 0.300 . . . . . . A 124 THR N . 34294 1 1525 . 1 1 125 125 LEU H H 1 7.982 0.020 . . . . . . A 125 LEU H . 34294 1 1526 . 1 1 125 125 LEU HA H 1 4.227 0.020 . . . . . . A 125 LEU HA . 34294 1 1527 . 1 1 125 125 LEU HB2 H 1 1.594 0.020 . . . . . . A 125 LEU HB2 . 34294 1 1528 . 1 1 125 125 LEU HB3 H 1 1.594 0.020 . . . . . . A 125 LEU HB3 . 34294 1 1529 . 1 1 125 125 LEU HG H 1 1.600 0.020 . . . . . . A 125 LEU HG . 34294 1 1530 . 1 1 125 125 LEU HD11 H 1 0.903 0.020 . . . . . . A 125 LEU HD11 . 34294 1 1531 . 1 1 125 125 LEU HD12 H 1 0.903 0.020 . . . . . . A 125 LEU HD12 . 34294 1 1532 . 1 1 125 125 LEU HD13 H 1 0.903 0.020 . . . . . . A 125 LEU HD13 . 34294 1 1533 . 1 1 125 125 LEU HD21 H 1 0.856 0.020 . . . . . . A 125 LEU HD21 . 34294 1 1534 . 1 1 125 125 LEU HD22 H 1 0.856 0.020 . . . . . . A 125 LEU HD22 . 34294 1 1535 . 1 1 125 125 LEU HD23 H 1 0.856 0.020 . . . . . . A 125 LEU HD23 . 34294 1 1536 . 1 1 125 125 LEU C C 13 181.123 0.300 . . . . . . A 125 LEU C . 34294 1 1537 . 1 1 125 125 LEU CA C 13 55.899 0.300 . . . . . . A 125 LEU CA . 34294 1 1538 . 1 1 125 125 LEU CB C 13 42.671 0.300 . . . . . . A 125 LEU CB . 34294 1 1539 . 1 1 125 125 LEU CG C 13 26.779 0.300 . . . . . . A 125 LEU CG . 34294 1 1540 . 1 1 125 125 LEU CD1 C 13 24.702 0.300 . . . . . . A 125 LEU CD1 . 34294 1 1541 . 1 1 125 125 LEU CD2 C 13 23.207 0.300 . . . . . . A 125 LEU CD2 . 34294 1 1542 . 1 1 125 125 LEU N N 15 129.323 0.300 . . . . . . A 125 LEU N . 34294 1 stop_ save_