data_16610 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16610 _Entry.Title ; Solution structure of the N-terminal domain (residues 1-111) of Brugia malayi asparaginyl-tRNA synthetase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-16 _Entry.Accession_date 2009-11-16 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman B. F. . 16610 2 F. Peterson F. C. . 16610 3 M. Kron M. A. . 16610 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Center for Eukaryotic Genomics' . 16610 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'aminoacyl-tRNA synthetase' . 16610 'Brugia malayi' . 16610 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16610 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 16610 '15N chemical shifts' 124 16610 '1H chemical shifts' 846 16610 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 . . 2012-08-03 2009-11-16 original author . 16610 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KQR 'BMRB Entry Tracking System' 16610 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16610 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title TBD _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Michael Kron . A. . 16610 1 2 Brian Volkman . F. . 16610 1 3 Francis Peterson . C. . 16610 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16610 _Assembly.ID 1 _Assembly.Name AsnRS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AsnRS 1 $AsnRS A . yes native no no . . . 16610 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AsnRS _Entity.Sf_category entity _Entity.Sf_framecode AsnRS _Entity.Entry_ID 16610 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AsnRS _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 ; GSMTVYICPETGDDGNDGSE LKPLRTLYQAMIITKSSKGD FLIRTKKDGKQVWEAASKTA LKKSWKRYEQEMLKNEKVAA KMLEKDATEVGVKAALEEAK KVQIELDTSLSYI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment AsnRS _Entity.Mutation NONE _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12667.689 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KQR . "Solution Structure Of The N-Terminal Domain (Residues 1-111) Of Brugia Malayi Asparaginyl-Trna Synthetase" . . . . . 100.00 113 100.00 100.00 6.13e-74 . . . . 16610 1 2 no EMBL CDQ01803 . "Protein Bm3517, isoform a, partial [Brugia malayi]" . . . . . 98.23 549 98.20 99.10 3.46e-66 . . . . 16610 1 3 no EMBL CDQ01804 . "Protein Bm3517, isoform b [Brugia malayi]" . . . . . 73.45 520 97.59 98.80 3.58e-43 . . . . 16610 1 4 no EMBL CDQ05032 . "Protein Bm9833 [Brugia malayi]" . . . . . 98.23 548 100.00 100.00 4.06e-67 . . . . 16610 1 5 no EMBL CDQ06500 . "Protein Bm8171, partial [Brugia malayi]" . . . . . 98.23 433 98.20 99.10 1.18e-67 . . . . 16610 1 6 no GB AAA27849 . "63kd antigen [Brugia malayi]" . . . . . 98.23 548 100.00 100.00 4.37e-67 . . . . 16610 1 7 no GB AAA27852 . "63 kd antigen [Brugia malayi]" . . . . . 98.23 548 98.20 99.10 3.40e-66 . . . . 16610 1 8 no REF XP_001898693 . "Asparaginyl-tRNA synthetase, cytoplasmic [Brugia malayi]" . . . . . 98.23 548 98.20 99.10 3.54e-66 . . . . 16610 1 9 no REF XP_002372115 . "OB-fold nucleic acid binding domain-containing protein [Toxoplasma gondii ME49]" . . . . . 89.38 309 97.03 97.03 2.01e-56 . . . . 16610 1 10 no SP P10723 . "RecName: Full=Asparagine--tRNA ligase, cytoplasmic; AltName: Full=Asparaginyl-tRNA synthetase; Short=AsnRS; AltName: Full=Poten" . . . . . 98.23 548 98.20 99.10 3.40e-66 . . . . 16610 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 -1 GLY . 16610 1 2 0 SER . 16610 1 3 1 MET . 16610 1 4 2 THR . 16610 1 5 3 VAL . 16610 1 6 4 TYR . 16610 1 7 5 ILE . 16610 1 8 6 CYS . 16610 1 9 7 PRO . 16610 1 10 8 GLU . 16610 1 11 9 THR . 16610 1 12 10 GLY . 16610 1 13 11 ASP . 16610 1 14 12 ASP . 16610 1 15 13 GLY . 16610 1 16 14 ASN . 16610 1 17 15 ASP . 16610 1 18 16 GLY . 16610 1 19 17 SER . 16610 1 20 18 GLU . 16610 1 21 19 LEU . 16610 1 22 20 LYS . 16610 1 23 21 PRO . 16610 1 24 22 LEU . 16610 1 25 23 ARG . 16610 1 26 24 THR . 16610 1 27 25 LEU . 16610 1 28 26 TYR . 16610 1 29 27 GLN . 16610 1 30 28 ALA . 16610 1 31 29 MET . 16610 1 32 30 ILE . 16610 1 33 31 ILE . 16610 1 34 32 THR . 16610 1 35 33 LYS . 16610 1 36 34 SER . 16610 1 37 35 SER . 16610 1 38 36 LYS . 16610 1 39 37 GLY . 16610 1 40 38 ASP . 16610 1 41 39 PHE . 16610 1 42 40 LEU . 16610 1 43 41 ILE . 16610 1 44 42 ARG . 16610 1 45 43 THR . 16610 1 46 44 LYS . 16610 1 47 45 LYS . 16610 1 48 46 ASP . 16610 1 49 47 GLY . 16610 1 50 48 LYS . 16610 1 51 49 GLN . 16610 1 52 50 VAL . 16610 1 53 51 TRP . 16610 1 54 52 GLU . 16610 1 55 53 ALA . 16610 1 56 54 ALA . 16610 1 57 55 SER . 16610 1 58 56 LYS . 16610 1 59 57 THR . 16610 1 60 58 ALA . 16610 1 61 59 LEU . 16610 1 62 60 LYS . 16610 1 63 61 LYS . 16610 1 64 62 SER . 16610 1 65 63 TRP . 16610 1 66 64 LYS . 16610 1 67 65 ARG . 16610 1 68 66 TYR . 16610 1 69 67 GLU . 16610 1 70 68 GLN . 16610 1 71 69 GLU . 16610 1 72 70 MET . 16610 1 73 71 LEU . 16610 1 74 72 LYS . 16610 1 75 73 ASN . 16610 1 76 74 GLU . 16610 1 77 75 LYS . 16610 1 78 76 VAL . 16610 1 79 77 ALA . 16610 1 80 78 ALA . 16610 1 81 79 LYS . 16610 1 82 80 MET . 16610 1 83 81 LEU . 16610 1 84 82 GLU . 16610 1 85 83 LYS . 16610 1 86 84 ASP . 16610 1 87 85 ALA . 16610 1 88 86 THR . 16610 1 89 87 GLU . 16610 1 90 88 VAL . 16610 1 91 89 GLY . 16610 1 92 90 VAL . 16610 1 93 91 LYS . 16610 1 94 92 ALA . 16610 1 95 93 ALA . 16610 1 96 94 LEU . 16610 1 97 95 GLU . 16610 1 98 96 GLU . 16610 1 99 97 ALA . 16610 1 100 98 LYS . 16610 1 101 99 LYS . 16610 1 102 100 VAL . 16610 1 103 101 GLN . 16610 1 104 102 ILE . 16610 1 105 103 GLU . 16610 1 106 104 LEU . 16610 1 107 105 ASP . 16610 1 108 106 THR . 16610 1 109 107 SER . 16610 1 110 108 LEU . 16610 1 111 109 SER . 16610 1 112 110 TYR . 16610 1 113 111 ILE . 16610 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16610 1 . SER 2 2 16610 1 . MET 3 3 16610 1 . THR 4 4 16610 1 . VAL 5 5 16610 1 . TYR 6 6 16610 1 . ILE 7 7 16610 1 . CYS 8 8 16610 1 . PRO 9 9 16610 1 . GLU 10 10 16610 1 . THR 11 11 16610 1 . GLY 12 12 16610 1 . ASP 13 13 16610 1 . ASP 14 14 16610 1 . GLY 15 15 16610 1 . ASN 16 16 16610 1 . ASP 17 17 16610 1 . GLY 18 18 16610 1 . SER 19 19 16610 1 . GLU 20 20 16610 1 . LEU 21 21 16610 1 . LYS 22 22 16610 1 . PRO 23 23 16610 1 . LEU 24 24 16610 1 . ARG 25 25 16610 1 . THR 26 26 16610 1 . LEU 27 27 16610 1 . TYR 28 28 16610 1 . GLN 29 29 16610 1 . ALA 30 30 16610 1 . MET 31 31 16610 1 . ILE 32 32 16610 1 . ILE 33 33 16610 1 . THR 34 34 16610 1 . LYS 35 35 16610 1 . SER 36 36 16610 1 . SER 37 37 16610 1 . LYS 38 38 16610 1 . GLY 39 39 16610 1 . ASP 40 40 16610 1 . PHE 41 41 16610 1 . LEU 42 42 16610 1 . ILE 43 43 16610 1 . ARG 44 44 16610 1 . THR 45 45 16610 1 . LYS 46 46 16610 1 . LYS 47 47 16610 1 . ASP 48 48 16610 1 . GLY 49 49 16610 1 . LYS 50 50 16610 1 . GLN 51 51 16610 1 . VAL 52 52 16610 1 . TRP 53 53 16610 1 . GLU 54 54 16610 1 . ALA 55 55 16610 1 . ALA 56 56 16610 1 . SER 57 57 16610 1 . LYS 58 58 16610 1 . THR 59 59 16610 1 . ALA 60 60 16610 1 . LEU 61 61 16610 1 . LYS 62 62 16610 1 . LYS 63 63 16610 1 . SER 64 64 16610 1 . TRP 65 65 16610 1 . LYS 66 66 16610 1 . ARG 67 67 16610 1 . TYR 68 68 16610 1 . GLU 69 69 16610 1 . GLN 70 70 16610 1 . GLU 71 71 16610 1 . MET 72 72 16610 1 . LEU 73 73 16610 1 . LYS 74 74 16610 1 . ASN 75 75 16610 1 . GLU 76 76 16610 1 . LYS 77 77 16610 1 . VAL 78 78 16610 1 . ALA 79 79 16610 1 . ALA 80 80 16610 1 . LYS 81 81 16610 1 . MET 82 82 16610 1 . LEU 83 83 16610 1 . GLU 84 84 16610 1 . LYS 85 85 16610 1 . ASP 86 86 16610 1 . ALA 87 87 16610 1 . THR 88 88 16610 1 . GLU 89 89 16610 1 . VAL 90 90 16610 1 . GLY 91 91 16610 1 . VAL 92 92 16610 1 . LYS 93 93 16610 1 . ALA 94 94 16610 1 . ALA 95 95 16610 1 . LEU 96 96 16610 1 . GLU 97 97 16610 1 . GLU 98 98 16610 1 . ALA 99 99 16610 1 . LYS 100 100 16610 1 . LYS 101 101 16610 1 . VAL 102 102 16610 1 . GLN 103 103 16610 1 . ILE 104 104 16610 1 . GLU 105 105 16610 1 . LEU 106 106 16610 1 . ASP 107 107 16610 1 . THR 108 108 16610 1 . SER 109 109 16610 1 . LEU 110 110 16610 1 . SER 111 111 16610 1 . TYR 112 112 16610 1 . ILE 113 113 16610 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 16610 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AsnRS . 6279 organism . 'Brugia malayi' 'B. malayi' . . Eukaryota Metazoa Brugia malayi . . . . . . . . . . . . . . . . 'asparaginyl-tRNA synthetase' . . . . 16610 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 16610 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AsnRS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 16610 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16610 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM BmAsnRS(1-111) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride' _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 AsnRS '[U-100% 13C; U-100% 15N]' . . 1 $AsnRS . . 1 . . mM . . . . 16610 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16610 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16610 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16610 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16610 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16610 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 16610 _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' 53 . mM 16610 1 pH 6.5 . pH 16610 1 pressure 1 . atm 16610 1 temperature 298 . K 16610 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16610 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16610 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16610 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16610 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16610 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16610 2 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16610 _Software.ID 3 _Software.Name GARANT _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 16610 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16610 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16610 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16610 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16610 4 'structure solution' 16610 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16610 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16610 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16610 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16610 _Software.ID 6 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16610 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16610 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16610 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16610 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 500 . . . 16610 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 16610 _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_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16610 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16610 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16610 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16610 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16610 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16610 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16610 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16610 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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_15N-separated_NOESY . . . 16610 1 2 3D_13C-separated_NOESY . . . 16610 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16610 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.527 0.02 . 1 . . . . 0 SER HA . 16610 1 2 . 1 1 2 2 SER HB2 H 1 3.857 0.02 . 2 . . . . 0 SER HB2 . 16610 1 3 . 1 1 2 2 SER HB3 H 1 3.857 0.02 . 2 . . . . 0 SER HB3 . 16610 1 4 . 1 1 2 2 SER C C 13 174.185 0.1 . 1 . . . . 0 SER C . 16610 1 5 . 1 1 2 2 SER CA C 13 59.000 0.1 . 1 . . . . 0 SER CA . 16610 1 6 . 1 1 2 2 SER CB C 13 64.514 0.1 . 1 . . . . 0 SER CB . 16610 1 7 . 1 1 3 3 MET H H 1 8.547 0.02 . 1 . . . . 1 MET H . 16610 1 8 . 1 1 3 3 MET HA H 1 4.570 0.02 . 1 . . . . 1 MET HA . 16610 1 9 . 1 1 3 3 MET HB2 H 1 2.058 0.02 . 2 . . . . 1 MET HB2 . 16610 1 10 . 1 1 3 3 MET HB3 H 1 1.964 0.02 . 2 . . . . 1 MET HB3 . 16610 1 11 . 1 1 3 3 MET HG2 H 1 2.511 0.02 . 2 . . . . 1 MET HG2 . 16610 1 12 . 1 1 3 3 MET HG3 H 1 2.511 0.02 . 2 . . . . 1 MET HG3 . 16610 1 13 . 1 1 3 3 MET C C 13 175.073 0.1 . 1 . . . . 1 MET C . 16610 1 14 . 1 1 3 3 MET CA C 13 55.493 0.1 . 1 . . . . 1 MET CA . 16610 1 15 . 1 1 3 3 MET CB C 13 33.646 0.1 . 1 . . . . 1 MET CB . 16610 1 16 . 1 1 3 3 MET CG C 13 32.201 0.1 . 1 . . . . 1 MET CG . 16610 1 17 . 1 1 3 3 MET N N 15 122.470 0.1 . 1 . . . . 1 MET N . 16610 1 18 . 1 1 4 4 THR H H 1 8.116 0.02 . 1 . . . . 2 THR H . 16610 1 19 . 1 1 4 4 THR HA H 1 4.598 0.02 . 1 . . . . 2 THR HA . 16610 1 20 . 1 1 4 4 THR HB H 1 3.710 0.02 . 1 . . . . 2 THR HB . 16610 1 21 . 1 1 4 4 THR HG21 H 1 0.574 0.02 . 1 . . . . 2 THR QG2 . 16610 1 22 . 1 1 4 4 THR HG22 H 1 0.574 0.02 . 1 . . . . 2 THR QG2 . 16610 1 23 . 1 1 4 4 THR HG23 H 1 0.574 0.02 . 1 . . . . 2 THR QG2 . 16610 1 24 . 1 1 4 4 THR C C 13 173.033 0.1 . 1 . . . . 2 THR C . 16610 1 25 . 1 1 4 4 THR CA C 13 62.828 0.1 . 1 . . . . 2 THR CA . 16610 1 26 . 1 1 4 4 THR CB C 13 70.129 0.1 . 1 . . . . 2 THR CB . 16610 1 27 . 1 1 4 4 THR CG2 C 13 21.786 0.1 . 1 . . . . 2 THR CG2 . 16610 1 28 . 1 1 4 4 THR N N 15 121.065 0.1 . 1 . . . . 2 THR N . 16610 1 29 . 1 1 5 5 VAL H H 1 8.170 0.02 . 1 . . . . 3 VAL H . 16610 1 30 . 1 1 5 5 VAL HA H 1 4.408 0.02 . 1 . . . . 3 VAL HA . 16610 1 31 . 1 1 5 5 VAL HB H 1 1.896 0.02 . 1 . . . . 3 VAL HB . 16610 1 32 . 1 1 5 5 VAL HG11 H 1 1.044 0.02 . 2 . . . . 3 VAL QG1 . 16610 1 33 . 1 1 5 5 VAL HG12 H 1 1.044 0.02 . 2 . . . . 3 VAL QG1 . 16610 1 34 . 1 1 5 5 VAL HG13 H 1 1.044 0.02 . 2 . . . . 3 VAL QG1 . 16610 1 35 . 1 1 5 5 VAL HG21 H 1 0.886 0.02 . 2 . . . . 3 VAL QG2 . 16610 1 36 . 1 1 5 5 VAL HG22 H 1 0.886 0.02 . 2 . . . . 3 VAL QG2 . 16610 1 37 . 1 1 5 5 VAL HG23 H 1 0.886 0.02 . 2 . . . . 3 VAL QG2 . 16610 1 38 . 1 1 5 5 VAL C C 13 172.387 0.1 . 1 . . . . 3 VAL C . 16610 1 39 . 1 1 5 5 VAL CA C 13 61.152 0.1 . 1 . . . . 3 VAL CA . 16610 1 40 . 1 1 5 5 VAL CB C 13 35.054 0.1 . 1 . . . . 3 VAL CB . 16610 1 41 . 1 1 5 5 VAL CG1 C 13 23.044 0.1 . 1 . . . . 3 VAL CG1 . 16610 1 42 . 1 1 5 5 VAL CG2 C 13 21.934 0.1 . 1 . . . . 3 VAL CG2 . 16610 1 43 . 1 1 5 5 VAL N N 15 126.297 0.1 . 1 . . . . 3 VAL N . 16610 1 44 . 1 1 6 6 TYR H H 1 8.752 0.02 . 1 . . . . 4 TYR H . 16610 1 45 . 1 1 6 6 TYR HA H 1 4.635 0.02 . 1 . . . . 4 TYR HA . 16610 1 46 . 1 1 6 6 TYR HB2 H 1 2.277 0.02 . 2 . . . . 4 TYR HB2 . 16610 1 47 . 1 1 6 6 TYR HB3 H 1 2.277 0.02 . 2 . . . . 4 TYR HB3 . 16610 1 48 . 1 1 6 6 TYR HD1 H 1 5.648 0.02 . 1 . . . . 4 TYR HD1 . 16610 1 49 . 1 1 6 6 TYR HD2 H 1 5.648 0.02 . 1 . . . . 4 TYR HD2 . 16610 1 50 . 1 1 6 6 TYR HE1 H 1 5.833 0.02 . 1 . . . . 4 TYR HE1 . 16610 1 51 . 1 1 6 6 TYR HE2 H 1 5.833 0.02 . 1 . . . . 4 TYR HE2 . 16610 1 52 . 1 1 6 6 TYR C C 13 175.841 0.1 . 1 . . . . 4 TYR C . 16610 1 53 . 1 1 6 6 TYR CA C 13 58.060 0.1 . 1 . . . . 4 TYR CA . 16610 1 54 . 1 1 6 6 TYR CB C 13 38.294 0.1 . 1 . . . . 4 TYR CB . 16610 1 55 . 1 1 6 6 TYR CD1 C 13 133.083 0.1 . 1 . . . . 4 TYR CD1 . 16610 1 56 . 1 1 6 6 TYR CE1 C 13 117.035 0.1 . 1 . . . . 4 TYR CE1 . 16610 1 57 . 1 1 6 6 TYR N N 15 126.070 0.1 . 1 . . . . 4 TYR N . 16610 1 58 . 1 1 7 7 ILE H H 1 9.508 0.02 . 1 . . . . 5 ILE H . 16610 1 59 . 1 1 7 7 ILE HA H 1 4.420 0.02 . 1 . . . . 5 ILE HA . 16610 1 60 . 1 1 7 7 ILE HB H 1 1.921 0.02 . 1 . . . . 5 ILE HB . 16610 1 61 . 1 1 7 7 ILE HD11 H 1 0.844 0.02 . 1 . . . . 5 ILE QD1 . 16610 1 62 . 1 1 7 7 ILE HD12 H 1 0.844 0.02 . 1 . . . . 5 ILE QD1 . 16610 1 63 . 1 1 7 7 ILE HD13 H 1 0.844 0.02 . 1 . . . . 5 ILE QD1 . 16610 1 64 . 1 1 7 7 ILE HG12 H 1 0.944 0.02 . 2 . . . . 5 ILE HG12 . 16610 1 65 . 1 1 7 7 ILE HG13 H 1 1.452 0.02 . 2 . . . . 5 ILE HG13 . 16610 1 66 . 1 1 7 7 ILE HG21 H 1 0.577 0.02 . 1 . . . . 5 ILE QG2 . 16610 1 67 . 1 1 7 7 ILE HG22 H 1 0.577 0.02 . 1 . . . . 5 ILE QG2 . 16610 1 68 . 1 1 7 7 ILE HG23 H 1 0.577 0.02 . 1 . . . . 5 ILE QG2 . 16610 1 69 . 1 1 7 7 ILE C C 13 173.861 0.1 . 1 . . . . 5 ILE C . 16610 1 70 . 1 1 7 7 ILE CA C 13 61.273 0.1 . 1 . . . . 5 ILE CA . 16610 1 71 . 1 1 7 7 ILE CB C 13 42.098 0.1 . 1 . . . . 5 ILE CB . 16610 1 72 . 1 1 7 7 ILE CD1 C 13 17.217 0.1 . 1 . . . . 5 ILE CD1 . 16610 1 73 . 1 1 7 7 ILE CG1 C 13 29.287 0.1 . 1 . . . . 5 ILE CG1 . 16610 1 74 . 1 1 7 7 ILE CG2 C 13 19.576 0.1 . 1 . . . . 5 ILE CG2 . 16610 1 75 . 1 1 7 7 ILE N N 15 122.700 0.1 . 1 . . . . 5 ILE N . 16610 1 76 . 1 1 8 8 CYS H H 1 9.788 0.02 . 1 . . . . 6 CYS H . 16610 1 77 . 1 1 8 8 CYS HA H 1 5.284 0.02 . 1 . . . . 6 CYS HA . 16610 1 78 . 1 1 8 8 CYS HB2 H 1 2.884 0.02 . 2 . . . . 6 CYS HB2 . 16610 1 79 . 1 1 8 8 CYS HB3 H 1 2.658 0.02 . 2 . . . . 6 CYS HB3 . 16610 1 80 . 1 1 8 8 CYS CA C 13 56.751 0.1 . 1 . . . . 6 CYS CA . 16610 1 81 . 1 1 8 8 CYS CB C 13 30.867 0.1 . 1 . . . . 6 CYS CB . 16610 1 82 . 1 1 8 8 CYS N N 15 129.910 0.1 . 1 . . . . 6 CYS N . 16610 1 83 . 1 1 9 9 PRO HA H 1 4.887 0.02 . 1 . . . . 7 PRO HA . 16610 1 84 . 1 1 9 9 PRO HB2 H 1 2.621 0.02 . 2 . . . . 7 PRO HB2 . 16610 1 85 . 1 1 9 9 PRO HB3 H 1 2.122 0.02 . 2 . . . . 7 PRO HB3 . 16610 1 86 . 1 1 9 9 PRO HD2 H 1 4.306 0.02 . 2 . . . . 7 PRO HD2 . 16610 1 87 . 1 1 9 9 PRO HD3 H 1 3.841 0.02 . 2 . . . . 7 PRO HD3 . 16610 1 88 . 1 1 9 9 PRO HG2 H 1 2.275 0.02 . 2 . . . . 7 PRO HG2 . 16610 1 89 . 1 1 9 9 PRO HG3 H 1 2.099 0.02 . 2 . . . . 7 PRO HG3 . 16610 1 90 . 1 1 9 9 PRO C C 13 176.831 0.1 . 1 . . . . 7 PRO C . 16610 1 91 . 1 1 9 9 PRO CA C 13 64.172 0.1 . 1 . . . . 7 PRO CA . 16610 1 92 . 1 1 9 9 PRO CB C 13 33.082 0.1 . 1 . . . . 7 PRO CB . 16610 1 93 . 1 1 9 9 PRO CD C 13 51.898 0.1 . 1 . . . . 7 PRO CD . 16610 1 94 . 1 1 9 9 PRO CG C 13 27.573 0.1 . 1 . . . . 7 PRO CG . 16610 1 95 . 1 1 10 10 GLU H H 1 8.434 0.02 . 1 . . . . 8 GLU H . 16610 1 96 . 1 1 10 10 GLU HA H 1 4.512 0.02 . 1 . . . . 8 GLU HA . 16610 1 97 . 1 1 10 10 GLU HB2 H 1 2.094 0.02 . 2 . . . . 8 GLU HB2 . 16610 1 98 . 1 1 10 10 GLU HB3 H 1 2.038 0.02 . 2 . . . . 8 GLU HB3 . 16610 1 99 . 1 1 10 10 GLU HG2 H 1 2.390 0.02 . 2 . . . . 8 GLU HG2 . 16610 1 100 . 1 1 10 10 GLU HG3 H 1 2.258 0.02 . 2 . . . . 8 GLU HG3 . 16610 1 101 . 1 1 10 10 GLU C C 13 178.386 0.1 . 1 . . . . 8 GLU C . 16610 1 102 . 1 1 10 10 GLU CA C 13 58.660 0.1 . 1 . . . . 8 GLU CA . 16610 1 103 . 1 1 10 10 GLU CB C 13 32.238 0.1 . 1 . . . . 8 GLU CB . 16610 1 104 . 1 1 10 10 GLU CG C 13 36.785 0.1 . 1 . . . . 8 GLU CG . 16610 1 105 . 1 1 10 10 GLU N N 15 117.023 0.1 . 1 . . . . 8 GLU N . 16610 1 106 . 1 1 11 11 THR H H 1 10.030 0.02 . 1 . . . . 9 THR H . 16610 1 107 . 1 1 11 11 THR HA H 1 4.848 0.02 . 1 . . . . 9 THR HA . 16610 1 108 . 1 1 11 11 THR HB H 1 4.460 0.02 . 1 . . . . 9 THR HB . 16610 1 109 . 1 1 11 11 THR HG21 H 1 1.196 0.02 . 1 . . . . 9 THR QG2 . 16610 1 110 . 1 1 11 11 THR HG22 H 1 1.196 0.02 . 1 . . . . 9 THR QG2 . 16610 1 111 . 1 1 11 11 THR HG23 H 1 1.196 0.02 . 1 . . . . 9 THR QG2 . 16610 1 112 . 1 1 11 11 THR C C 13 175.841 0.1 . 1 . . . . 9 THR C . 16610 1 113 . 1 1 11 11 THR CA C 13 61.847 0.1 . 1 . . . . 9 THR CA . 16610 1 114 . 1 1 11 11 THR CB C 13 71.820 0.1 . 1 . . . . 9 THR CB . 16610 1 115 . 1 1 11 11 THR CG2 C 13 22.086 0.1 . 1 . . . . 9 THR CG2 . 16610 1 116 . 1 1 11 11 THR N N 15 114.971 0.1 . 1 . . . . 9 THR N . 16610 1 117 . 1 1 12 12 GLY H H 1 8.570 0.02 . 1 . . . . 10 GLY H . 16610 1 118 . 1 1 12 12 GLY HA2 H 1 4.022 0.02 . 2 . . . . 10 GLY HA2 . 16610 1 119 . 1 1 12 12 GLY HA3 H 1 4.063 0.02 . 2 . . . . 10 GLY HA3 . 16610 1 120 . 1 1 12 12 GLY C C 13 172.023 0.1 . 1 . . . . 10 GLY C . 16610 1 121 . 1 1 12 12 GLY CA C 13 44.790 0.1 . 1 . . . . 10 GLY CA . 16610 1 122 . 1 1 12 12 GLY N N 15 111.694 0.1 . 1 . . . . 10 GLY N . 16610 1 123 . 1 1 13 13 ASP H H 1 8.275 0.02 . 1 . . . . 11 ASP H . 16610 1 124 . 1 1 13 13 ASP HA H 1 4.846 0.02 . 1 . . . . 11 ASP HA . 16610 1 125 . 1 1 13 13 ASP HB2 H 1 2.622 0.02 . 2 . . . . 11 ASP HB2 . 16610 1 126 . 1 1 13 13 ASP HB3 H 1 2.622 0.02 . 2 . . . . 11 ASP HB3 . 16610 1 127 . 1 1 13 13 ASP C C 13 176.528 0.1 . 1 . . . . 11 ASP C . 16610 1 128 . 1 1 13 13 ASP CA C 13 54.461 0.1 . 1 . . . . 11 ASP CA . 16610 1 129 . 1 1 13 13 ASP CB C 13 46.183 0.1 . 1 . . . . 11 ASP CB . 16610 1 130 . 1 1 13 13 ASP N N 15 117.490 0.1 . 1 . . . . 11 ASP N . 16610 1 131 . 1 1 14 14 ASP H H 1 9.438 0.02 . 1 . . . . 12 ASP H . 16610 1 132 . 1 1 14 14 ASP HA H 1 5.202 0.02 . 1 . . . . 12 ASP HA . 16610 1 133 . 1 1 14 14 ASP HB2 H 1 2.946 0.02 . 2 . . . . 12 ASP HB2 . 16610 1 134 . 1 1 14 14 ASP HB3 H 1 2.671 0.02 . 2 . . . . 12 ASP HB3 . 16610 1 135 . 1 1 14 14 ASP C C 13 176.104 0.1 . 1 . . . . 12 ASP C . 16610 1 136 . 1 1 14 14 ASP CA C 13 56.700 0.1 . 1 . . . . 12 ASP CA . 16610 1 137 . 1 1 14 14 ASP CB C 13 39.703 0.1 . 1 . . . . 12 ASP CB . 16610 1 138 . 1 1 14 14 ASP N N 15 128.661 0.1 . 1 . . . . 12 ASP N . 16610 1 139 . 1 1 15 15 GLY H H 1 9.578 0.02 . 1 . . . . 13 GLY H . 16610 1 140 . 1 1 15 15 GLY HA2 H 1 4.435 0.02 . 2 . . . . 13 GLY HA2 . 16610 1 141 . 1 1 15 15 GLY HA3 H 1 3.689 0.02 . 2 . . . . 13 GLY HA3 . 16610 1 142 . 1 1 15 15 GLY C C 13 175.094 0.1 . 1 . . . . 13 GLY C . 16610 1 143 . 1 1 15 15 GLY CA C 13 44.780 0.1 . 1 . . . . 13 GLY CA . 16610 1 144 . 1 1 15 15 GLY N N 15 109.908 0.1 . 1 . . . . 13 GLY N . 16610 1 145 . 1 1 16 16 ASN H H 1 7.704 0.02 . 1 . . . . 14 ASN H . 16610 1 146 . 1 1 16 16 ASN HA H 1 4.911 0.02 . 1 . . . . 14 ASN HA . 16610 1 147 . 1 1 16 16 ASN HB2 H 1 3.349 0.02 . 2 . . . . 14 ASN HB2 . 16610 1 148 . 1 1 16 16 ASN HB3 H 1 3.569 0.02 . 2 . . . . 14 ASN HB3 . 16610 1 149 . 1 1 16 16 ASN HD21 H 1 8.193 0.02 . 2 . . . . 14 ASN HD21 . 16610 1 150 . 1 1 16 16 ASN HD22 H 1 7.386 0.02 . 2 . . . . 14 ASN HD22 . 16610 1 151 . 1 1 16 16 ASN C C 13 173.720 0.1 . 1 . . . . 14 ASN C . 16610 1 152 . 1 1 16 16 ASN CA C 13 51.955 0.1 . 1 . . . . 14 ASN CA . 16610 1 153 . 1 1 16 16 ASN CB C 13 39.562 0.1 . 1 . . . . 14 ASN CB . 16610 1 154 . 1 1 16 16 ASN N N 15 119.927 0.1 . 1 . . . . 14 ASN N . 16610 1 155 . 1 1 16 16 ASN ND2 N 15 110.678 0.1 . 1 . . . . 14 ASN ND2 . 16610 1 156 . 1 1 17 17 ASP H H 1 7.643 0.02 . 1 . . . . 15 ASP H . 16610 1 157 . 1 1 17 17 ASP HA H 1 4.665 0.02 . 1 . . . . 15 ASP HA . 16610 1 158 . 1 1 17 17 ASP HB2 H 1 3.104 0.02 . 2 . . . . 15 ASP HB2 . 16610 1 159 . 1 1 17 17 ASP HB3 H 1 2.740 0.02 . 2 . . . . 15 ASP HB3 . 16610 1 160 . 1 1 17 17 ASP C C 13 178.305 0.1 . 1 . . . . 15 ASP C . 16610 1 161 . 1 1 17 17 ASP CA C 13 54.073 0.1 . 1 . . . . 15 ASP CA . 16610 1 162 . 1 1 17 17 ASP CB C 13 40.971 0.1 . 1 . . . . 15 ASP CB . 16610 1 163 . 1 1 17 17 ASP N N 15 112.758 0.1 . 1 . . . . 15 ASP N . 16610 1 164 . 1 1 18 18 GLY H H 1 8.352 0.02 . 1 . . . . 16 GLY H . 16610 1 165 . 1 1 18 18 GLY HA2 H 1 4.160 0.02 . 2 . . . . 16 GLY HA2 . 16610 1 166 . 1 1 18 18 GLY HA3 H 1 4.280 0.02 . 2 . . . . 16 GLY HA3 . 16610 1 167 . 1 1 18 18 GLY C C 13 173.882 0.1 . 1 . . . . 16 GLY C . 16610 1 168 . 1 1 18 18 GLY CA C 13 47.000 0.1 . 1 . . . . 16 GLY CA . 16610 1 169 . 1 1 18 18 GLY N N 15 107.783 0.1 . 1 . . . . 16 GLY N . 16610 1 170 . 1 1 19 19 SER H H 1 7.875 0.02 . 1 . . . . 17 SER H . 16610 1 171 . 1 1 19 19 SER HA H 1 4.516 0.02 . 1 . . . . 17 SER HA . 16610 1 172 . 1 1 19 19 SER HB2 H 1 4.147 0.02 . 2 . . . . 17 SER HB2 . 16610 1 173 . 1 1 19 19 SER HB3 H 1 4.147 0.02 . 2 . . . . 17 SER HB3 . 16610 1 174 . 1 1 19 19 SER C C 13 173.983 0.1 . 1 . . . . 17 SER C . 16610 1 175 . 1 1 19 19 SER CA C 13 58.122 0.1 . 1 . . . . 17 SER CA . 16610 1 176 . 1 1 19 19 SER CB C 13 64.889 0.1 . 1 . . . . 17 SER CB . 16610 1 177 . 1 1 19 19 SER N N 15 116.587 0.1 . 1 . . . . 17 SER N . 16610 1 178 . 1 1 20 20 GLU H H 1 7.989 0.02 . 1 . . . . 18 GLU H . 16610 1 179 . 1 1 20 20 GLU HA H 1 2.459 0.02 . 1 . . . . 18 GLU HA . 16610 1 180 . 1 1 20 20 GLU HB2 H 1 0.746 0.02 . 2 . . . . 18 GLU HB2 . 16610 1 181 . 1 1 20 20 GLU HB3 H 1 1.286 0.02 . 2 . . . . 18 GLU HB3 . 16610 1 182 . 1 1 20 20 GLU HG2 H 1 1.889 0.02 . 2 . . . . 18 GLU HG2 . 16610 1 183 . 1 1 20 20 GLU HG3 H 1 1.569 0.02 . 2 . . . . 18 GLU HG3 . 16610 1 184 . 1 1 20 20 GLU C C 13 177.235 0.1 . 1 . . . . 18 GLU C . 16610 1 185 . 1 1 20 20 GLU CA C 13 59.750 0.1 . 1 . . . . 18 GLU CA . 16610 1 186 . 1 1 20 20 GLU CB C 13 28.997 0.1 . 1 . . . . 18 GLU CB . 16610 1 187 . 1 1 20 20 GLU CG C 13 36.097 0.1 . 1 . . . . 18 GLU CG . 16610 1 188 . 1 1 20 20 GLU N N 15 120.441 0.1 . 1 . . . . 18 GLU N . 16610 1 189 . 1 1 21 21 LEU H H 1 7.362 0.02 . 1 . . . . 19 LEU H . 16610 1 190 . 1 1 21 21 LEU HA H 1 4.276 0.02 . 1 . . . . 19 LEU HA . 16610 1 191 . 1 1 21 21 LEU HB2 H 1 1.703 0.02 . 2 . . . . 19 LEU HB2 . 16610 1 192 . 1 1 21 21 LEU HB3 H 1 1.632 0.02 . 2 . . . . 19 LEU HB3 . 16610 1 193 . 1 1 21 21 LEU HD11 H 1 0.945 0.02 . 2 . . . . 19 LEU QD1 . 16610 1 194 . 1 1 21 21 LEU HD12 H 1 0.945 0.02 . 2 . . . . 19 LEU QD1 . 16610 1 195 . 1 1 21 21 LEU HD13 H 1 0.945 0.02 . 2 . . . . 19 LEU QD1 . 16610 1 196 . 1 1 21 21 LEU HD21 H 1 0.903 0.02 . 2 . . . . 19 LEU QD2 . 16610 1 197 . 1 1 21 21 LEU HD22 H 1 0.903 0.02 . 2 . . . . 19 LEU QD2 . 16610 1 198 . 1 1 21 21 LEU HD23 H 1 0.903 0.02 . 2 . . . . 19 LEU QD2 . 16610 1 199 . 1 1 21 21 LEU HG H 1 1.663 0.02 . 1 . . . . 19 LEU HG . 16610 1 200 . 1 1 21 21 LEU C C 13 177.679 0.1 . 1 . . . . 19 LEU C . 16610 1 201 . 1 1 21 21 LEU CA C 13 55.330 0.1 . 1 . . . . 19 LEU CA . 16610 1 202 . 1 1 21 21 LEU CB C 13 42.379 0.1 . 1 . . . . 19 LEU CB . 16610 1 203 . 1 1 21 21 LEU CD1 C 13 25.084 0.1 . 1 . . . . 19 LEU CD1 . 16610 1 204 . 1 1 21 21 LEU CD2 C 13 23.157 0.1 . 1 . . . . 19 LEU CD2 . 16610 1 205 . 1 1 21 21 LEU CG C 13 27.287 0.1 . 1 . . . . 19 LEU CG . 16610 1 206 . 1 1 21 21 LEU N N 15 111.632 0.1 . 1 . . . . 19 LEU N . 16610 1 207 . 1 1 22 22 LYS H H 1 7.221 0.02 . 1 . . . . 20 LYS H . 16610 1 208 . 1 1 22 22 LYS HA H 1 4.703 0.02 . 1 . . . . 20 LYS HA . 16610 1 209 . 1 1 22 22 LYS HB2 H 1 2.237 0.02 . 2 . . . . 20 LYS HB2 . 16610 1 210 . 1 1 22 22 LYS HB3 H 1 1.454 0.02 . 2 . . . . 20 LYS HB3 . 16610 1 211 . 1 1 22 22 LYS HD2 H 1 1.816 0.02 . 2 . . . . 20 LYS HD2 . 16610 1 212 . 1 1 22 22 LYS HD3 H 1 1.655 0.02 . 2 . . . . 20 LYS HD3 . 16610 1 213 . 1 1 22 22 LYS HE2 H 1 2.998 0.02 . 2 . . . . 20 LYS HE2 . 16610 1 214 . 1 1 22 22 LYS HE3 H 1 2.998 0.02 . 2 . . . . 20 LYS HE3 . 16610 1 215 . 1 1 22 22 LYS HG2 H 1 1.338 0.02 . 2 . . . . 20 LYS HG2 . 16610 1 216 . 1 1 22 22 LYS HG3 H 1 1.254 0.02 . 2 . . . . 20 LYS HG3 . 16610 1 217 . 1 1 22 22 LYS C C 13 170.729 0.1 . 1 . . . . 20 LYS C . 16610 1 218 . 1 1 22 22 LYS CA C 13 52.868 0.1 . 1 . . . . 20 LYS CA . 16610 1 219 . 1 1 22 22 LYS CB C 13 32.485 0.1 . 1 . . . . 20 LYS CB . 16610 1 220 . 1 1 22 22 LYS CD C 13 29.249 0.1 . 1 . . . . 20 LYS CD . 16610 1 221 . 1 1 22 22 LYS CE C 13 42.515 0.1 . 1 . . . . 20 LYS CE . 16610 1 222 . 1 1 22 22 LYS CG C 13 23.749 0.1 . 1 . . . . 20 LYS CG . 16610 1 223 . 1 1 22 22 LYS N N 15 119.304 0.1 . 1 . . . . 20 LYS N . 16610 1 224 . 1 1 23 23 PRO HA H 1 4.724 0.02 . 1 . . . . 21 PRO HA . 16610 1 225 . 1 1 23 23 PRO HB2 H 1 2.230 0.02 . 2 . . . . 21 PRO HB2 . 16610 1 226 . 1 1 23 23 PRO HB3 H 1 2.230 0.02 . 2 . . . . 21 PRO HB3 . 16610 1 227 . 1 1 23 23 PRO HD2 H 1 3.568 0.02 . 2 . . . . 21 PRO HD2 . 16610 1 228 . 1 1 23 23 PRO HD3 H 1 3.527 0.02 . 2 . . . . 21 PRO HD3 . 16610 1 229 . 1 1 23 23 PRO HG2 H 1 1.944 0.02 . 2 . . . . 21 PRO HG2 . 16610 1 230 . 1 1 23 23 PRO HG3 H 1 2.121 0.02 . 2 . . . . 21 PRO HG3 . 16610 1 231 . 1 1 23 23 PRO C C 13 179.154 0.1 . 1 . . . . 21 PRO C . 16610 1 232 . 1 1 23 23 PRO CA C 13 63.406 0.1 . 1 . . . . 21 PRO CA . 16610 1 233 . 1 1 23 23 PRO CB C 13 33.110 0.1 . 1 . . . . 21 PRO CB . 16610 1 234 . 1 1 23 23 PRO CD C 13 50.275 0.1 . 1 . . . . 21 PRO CD . 16610 1 235 . 1 1 23 23 PRO CG C 13 27.562 0.1 . 1 . . . . 21 PRO CG . 16610 1 236 . 1 1 24 24 LEU H H 1 9.005 0.02 . 1 . . . . 22 LEU H . 16610 1 237 . 1 1 24 24 LEU HA H 1 4.868 0.02 . 1 . . . . 22 LEU HA . 16610 1 238 . 1 1 24 24 LEU HB2 H 1 2.035 0.02 . 2 . . . . 22 LEU HB2 . 16610 1 239 . 1 1 24 24 LEU HB3 H 1 1.727 0.02 . 2 . . . . 22 LEU HB3 . 16610 1 240 . 1 1 24 24 LEU HD11 H 1 0.853 0.02 . 2 . . . . 22 LEU QD1 . 16610 1 241 . 1 1 24 24 LEU HD12 H 1 0.853 0.02 . 2 . . . . 22 LEU QD1 . 16610 1 242 . 1 1 24 24 LEU HD13 H 1 0.853 0.02 . 2 . . . . 22 LEU QD1 . 16610 1 243 . 1 1 24 24 LEU HD21 H 1 0.920 0.02 . 2 . . . . 22 LEU QD2 . 16610 1 244 . 1 1 24 24 LEU HD22 H 1 0.920 0.02 . 2 . . . . 22 LEU QD2 . 16610 1 245 . 1 1 24 24 LEU HD23 H 1 0.920 0.02 . 2 . . . . 22 LEU QD2 . 16610 1 246 . 1 1 24 24 LEU HG H 1 1.824 0.02 . 1 . . . . 22 LEU HG . 16610 1 247 . 1 1 24 24 LEU C C 13 175.013 0.1 . 1 . . . . 22 LEU C . 16610 1 248 . 1 1 24 24 LEU CA C 13 54.299 0.1 . 1 . . . . 22 LEU CA . 16610 1 249 . 1 1 24 24 LEU CB C 13 42.379 0.1 . 1 . . . . 22 LEU CB . 16610 1 250 . 1 1 24 24 LEU CD1 C 13 26.337 0.1 . 1 . . . . 22 LEU CD1 . 16610 1 251 . 1 1 24 24 LEU CD2 C 13 24.073 0.1 . 1 . . . . 22 LEU CD2 . 16610 1 252 . 1 1 24 24 LEU CG C 13 27.600 0.1 . 1 . . . . 22 LEU CG . 16610 1 253 . 1 1 24 24 LEU N N 15 119.143 0.1 . 1 . . . . 22 LEU N . 16610 1 254 . 1 1 25 25 ARG H H 1 8.807 0.02 . 1 . . . . 23 ARG H . 16610 1 255 . 1 1 25 25 ARG HA H 1 4.679 0.02 . 1 . . . . 23 ARG HA . 16610 1 256 . 1 1 25 25 ARG HB2 H 1 1.200 0.02 . 2 . . . . 23 ARG HB2 . 16610 1 257 . 1 1 25 25 ARG HB3 H 1 1.791 0.02 . 2 . . . . 23 ARG HB3 . 16610 1 258 . 1 1 25 25 ARG HD2 H 1 3.304 0.02 . 2 . . . . 23 ARG HD2 . 16610 1 259 . 1 1 25 25 ARG HD3 H 1 3.236 0.02 . 2 . . . . 23 ARG HD3 . 16610 1 260 . 1 1 25 25 ARG HE H 1 7.113 0.02 . 1 . . . . 23 ARG HE . 16610 1 261 . 1 1 25 25 ARG HG2 H 1 1.773 0.02 . 2 . . . . 23 ARG HG2 . 16610 1 262 . 1 1 25 25 ARG HG3 H 1 1.730 0.02 . 2 . . . . 23 ARG HG3 . 16610 1 263 . 1 1 25 25 ARG C C 13 176.326 0.1 . 1 . . . . 23 ARG C . 16610 1 264 . 1 1 25 25 ARG CA C 13 57.035 0.1 . 1 . . . . 23 ARG CA . 16610 1 265 . 1 1 25 25 ARG CB C 13 33.505 0.1 . 1 . . . . 23 ARG CB . 16610 1 266 . 1 1 25 25 ARG CD C 13 43.490 0.1 . 1 . . . . 23 ARG CD . 16610 1 267 . 1 1 25 25 ARG CG C 13 29.076 0.1 . 1 . . . . 23 ARG CG . 16610 1 268 . 1 1 25 25 ARG N N 15 121.664 0.1 . 1 . . . . 23 ARG N . 16610 1 269 . 1 1 25 25 ARG NE N 15 118.128 0.1 . 1 . . . . 23 ARG NE . 16610 1 270 . 1 1 26 26 THR H H 1 9.405 0.02 . 1 . . . . 24 THR H . 16610 1 271 . 1 1 26 26 THR HA H 1 4.748 0.02 . 1 . . . . 24 THR HA . 16610 1 272 . 1 1 26 26 THR HB H 1 4.602 0.02 . 1 . . . . 24 THR HB . 16610 1 273 . 1 1 26 26 THR HG21 H 1 1.365 0.02 . 1 . . . . 24 THR QG2 . 16610 1 274 . 1 1 26 26 THR HG22 H 1 1.365 0.02 . 1 . . . . 24 THR QG2 . 16610 1 275 . 1 1 26 26 THR HG23 H 1 1.365 0.02 . 1 . . . . 24 THR QG2 . 16610 1 276 . 1 1 26 26 THR C C 13 174.043 0.1 . 1 . . . . 24 THR C . 16610 1 277 . 1 1 26 26 THR CA C 13 59.392 0.1 . 1 . . . . 24 THR CA . 16610 1 278 . 1 1 26 26 THR CB C 13 73.228 0.1 . 1 . . . . 24 THR CB . 16610 1 279 . 1 1 26 26 THR CG2 C 13 21.486 0.1 . 1 . . . . 24 THR CG2 . 16610 1 280 . 1 1 26 26 THR N N 15 108.366 0.1 . 1 . . . . 24 THR N . 16610 1 281 . 1 1 27 27 LEU H H 1 8.560 0.02 . 1 . . . . 25 LEU H . 16610 1 282 . 1 1 27 27 LEU HA H 1 4.025 0.02 . 1 . . . . 25 LEU HA . 16610 1 283 . 1 1 27 27 LEU HB2 H 1 1.730 0.02 . 2 . . . . 25 LEU HB2 . 16610 1 284 . 1 1 27 27 LEU HB3 H 1 1.553 0.02 . 2 . . . . 25 LEU HB3 . 16610 1 285 . 1 1 27 27 LEU HD11 H 1 0.767 0.02 . 2 . . . . 25 LEU QD1 . 16610 1 286 . 1 1 27 27 LEU HD12 H 1 0.767 0.02 . 2 . . . . 25 LEU QD1 . 16610 1 287 . 1 1 27 27 LEU HD13 H 1 0.767 0.02 . 2 . . . . 25 LEU QD1 . 16610 1 288 . 1 1 27 27 LEU HD21 H 1 0.668 0.02 . 2 . . . . 25 LEU QD2 . 16610 1 289 . 1 1 27 27 LEU HD22 H 1 0.668 0.02 . 2 . . . . 25 LEU QD2 . 16610 1 290 . 1 1 27 27 LEU HD23 H 1 0.668 0.02 . 2 . . . . 25 LEU QD2 . 16610 1 291 . 1 1 27 27 LEU HG H 1 1.607 0.02 . 1 . . . . 25 LEU HG . 16610 1 292 . 1 1 27 27 LEU C C 13 178.467 0.1 . 1 . . . . 25 LEU C . 16610 1 293 . 1 1 27 27 LEU CA C 13 56.698 0.1 . 1 . . . . 25 LEU CA . 16610 1 294 . 1 1 27 27 LEU CB C 13 42.238 0.1 . 1 . . . . 25 LEU CB . 16610 1 295 . 1 1 27 27 LEU CD1 C 13 25.772 0.1 . 1 . . . . 25 LEU CD1 . 16610 1 296 . 1 1 27 27 LEU CD2 C 13 24.400 0.1 . 1 . . . . 25 LEU CD2 . 16610 1 297 . 1 1 27 27 LEU CG C 13 27.308 0.1 . 1 . . . . 25 LEU CG . 16610 1 298 . 1 1 27 27 LEU N N 15 121.982 0.1 . 1 . . . . 25 LEU N . 16610 1 299 . 1 1 28 28 TYR H H 1 8.137 0.02 . 1 . . . . 26 TYR H . 16610 1 300 . 1 1 28 28 TYR HA H 1 4.184 0.02 . 1 . . . . 26 TYR HA . 16610 1 301 . 1 1 28 28 TYR HB2 H 1 3.246 0.02 . 2 . . . . 26 TYR HB2 . 16610 1 302 . 1 1 28 28 TYR HB3 H 1 2.928 0.02 . 2 . . . . 26 TYR HB3 . 16610 1 303 . 1 1 28 28 TYR HD1 H 1 7.130 0.02 . 1 . . . . 26 TYR HD1 . 16610 1 304 . 1 1 28 28 TYR HD2 H 1 7.130 0.02 . 1 . . . . 26 TYR HD2 . 16610 1 305 . 1 1 28 28 TYR HE1 H 1 6.715 0.02 . 1 . . . . 26 TYR HE1 . 16610 1 306 . 1 1 28 28 TYR HE2 H 1 6.715 0.02 . 1 . . . . 26 TYR HE2 . 16610 1 307 . 1 1 28 28 TYR C C 13 176.790 0.1 . 1 . . . . 26 TYR C . 16610 1 308 . 1 1 28 28 TYR CA C 13 61.843 0.1 . 1 . . . . 26 TYR CA . 16610 1 309 . 1 1 28 28 TYR CB C 13 38.435 0.1 . 1 . . . . 26 TYR CB . 16610 1 310 . 1 1 28 28 TYR CD1 C 13 132.824 0.1 . 1 . . . . 26 TYR CD1 . 16610 1 311 . 1 1 28 28 TYR CE1 C 13 118.329 0.1 . 1 . . . . 26 TYR CE1 . 16610 1 312 . 1 1 28 28 TYR N N 15 117.854 0.1 . 1 . . . . 26 TYR N . 16610 1 313 . 1 1 29 29 GLN H H 1 7.870 0.02 . 1 . . . . 27 GLN H . 16610 1 314 . 1 1 29 29 GLN HA H 1 3.850 0.02 . 1 . . . . 27 GLN HA . 16610 1 315 . 1 1 29 29 GLN HB2 H 1 2.159 0.02 . 2 . . . . 27 GLN HB2 . 16610 1 316 . 1 1 29 29 GLN HB3 H 1 2.159 0.02 . 2 . . . . 27 GLN HB3 . 16610 1 317 . 1 1 29 29 GLN HE21 H 1 6.849 0.02 . 2 . . . . 27 GLN HE21 . 16610 1 318 . 1 1 29 29 GLN HE22 H 1 6.678 0.02 . 2 . . . . 27 GLN HE22 . 16610 1 319 . 1 1 29 29 GLN HG2 H 1 2.804 0.02 . 2 . . . . 27 GLN HG2 . 16610 1 320 . 1 1 29 29 GLN HG3 H 1 2.425 0.02 . 2 . . . . 27 GLN HG3 . 16610 1 321 . 1 1 29 29 GLN C C 13 177.800 0.1 . 1 . . . . 27 GLN C . 16610 1 322 . 1 1 29 29 GLN CA C 13 57.798 0.1 . 1 . . . . 27 GLN CA . 16610 1 323 . 1 1 29 29 GLN CB C 13 26.039 0.1 . 1 . . . . 27 GLN CB . 16610 1 324 . 1 1 29 29 GLN CG C 13 33.206 0.1 . 1 . . . . 27 GLN CG . 16610 1 325 . 1 1 29 29 GLN N N 15 118.122 0.1 . 1 . . . . 27 GLN N . 16610 1 326 . 1 1 29 29 GLN NE2 N 15 109.651 0.1 . 1 . . . . 27 GLN NE2 . 16610 1 327 . 1 1 30 30 ALA H H 1 7.329 0.02 . 1 . . . . 28 ALA H . 16610 1 328 . 1 1 30 30 ALA HA H 1 3.894 0.02 . 1 . . . . 28 ALA HA . 16610 1 329 . 1 1 30 30 ALA HB1 H 1 1.491 0.02 . 1 . . . . 28 ALA QB . 16610 1 330 . 1 1 30 30 ALA HB2 H 1 1.491 0.02 . 1 . . . . 28 ALA QB . 16610 1 331 . 1 1 30 30 ALA HB3 H 1 1.491 0.02 . 1 . . . . 28 ALA QB . 16610 1 332 . 1 1 30 30 ALA C C 13 179.396 0.1 . 1 . . . . 28 ALA C . 16610 1 333 . 1 1 30 30 ALA CA C 13 55.450 0.1 . 1 . . . . 28 ALA CA . 16610 1 334 . 1 1 30 30 ALA CB C 13 18.996 0.1 . 1 . . . . 28 ALA CB . 16610 1 335 . 1 1 30 30 ALA N N 15 120.426 0.1 . 1 . . . . 28 ALA N . 16610 1 336 . 1 1 31 31 MET H H 1 7.791 0.02 . 1 . . . . 29 MET H . 16610 1 337 . 1 1 31 31 MET HA H 1 4.273 0.02 . 1 . . . . 29 MET HA . 16610 1 338 . 1 1 31 31 MET HB2 H 1 2.022 0.02 . 2 . . . . 29 MET HB2 . 16610 1 339 . 1 1 31 31 MET HB3 H 1 1.507 0.02 . 2 . . . . 29 MET HB3 . 16610 1 340 . 1 1 31 31 MET HE1 H 1 1.891 0.02 . 1 . . . . 29 MET QE . 16610 1 341 . 1 1 31 31 MET HE2 H 1 1.891 0.02 . 1 . . . . 29 MET QE . 16610 1 342 . 1 1 31 31 MET HE3 H 1 1.891 0.02 . 1 . . . . 29 MET QE . 16610 1 343 . 1 1 31 31 MET HG2 H 1 2.534 0.02 . 2 . . . . 29 MET HG2 . 16610 1 344 . 1 1 31 31 MET HG3 H 1 2.534 0.02 . 2 . . . . 29 MET HG3 . 16610 1 345 . 1 1 31 31 MET C C 13 177.598 0.1 . 1 . . . . 29 MET C . 16610 1 346 . 1 1 31 31 MET CA C 13 58.645 0.1 . 1 . . . . 29 MET CA . 16610 1 347 . 1 1 31 31 MET CB C 13 31.955 0.1 . 1 . . . . 29 MET CB . 16610 1 348 . 1 1 31 31 MET CE C 13 19.870 0.1 . 1 . . . . 29 MET CE . 16610 1 349 . 1 1 31 31 MET CG C 13 34.143 0.1 . 1 . . . . 29 MET CG . 16610 1 350 . 1 1 31 31 MET N N 15 118.899 0.1 . 1 . . . . 29 MET N . 16610 1 351 . 1 1 32 32 ILE H H 1 7.526 0.02 . 1 . . . . 30 ILE H . 16610 1 352 . 1 1 32 32 ILE HA H 1 3.738 0.02 . 1 . . . . 30 ILE HA . 16610 1 353 . 1 1 32 32 ILE HB H 1 2.103 0.02 . 1 . . . . 30 ILE HB . 16610 1 354 . 1 1 32 32 ILE HD11 H 1 0.667 0.02 . 1 . . . . 30 ILE QD1 . 16610 1 355 . 1 1 32 32 ILE HD12 H 1 0.667 0.02 . 1 . . . . 30 ILE QD1 . 16610 1 356 . 1 1 32 32 ILE HD13 H 1 0.667 0.02 . 1 . . . . 30 ILE QD1 . 16610 1 357 . 1 1 32 32 ILE HG12 H 1 0.945 0.02 . 2 . . . . 30 ILE HG12 . 16610 1 358 . 1 1 32 32 ILE HG13 H 1 1.289 0.02 . 2 . . . . 30 ILE HG13 . 16610 1 359 . 1 1 32 32 ILE HG21 H 1 0.888 0.02 . 1 . . . . 30 ILE QG2 . 16610 1 360 . 1 1 32 32 ILE HG22 H 1 0.888 0.02 . 1 . . . . 30 ILE QG2 . 16610 1 361 . 1 1 32 32 ILE HG23 H 1 0.888 0.02 . 1 . . . . 30 ILE QG2 . 16610 1 362 . 1 1 32 32 ILE C C 13 179.356 0.1 . 1 . . . . 30 ILE C . 16610 1 363 . 1 1 32 32 ILE CA C 13 64.294 0.1 . 1 . . . . 30 ILE CA . 16610 1 364 . 1 1 32 32 ILE CB C 13 36.745 0.1 . 1 . . . . 30 ILE CB . 16610 1 365 . 1 1 32 32 ILE CD1 C 13 12.007 0.1 . 1 . . . . 30 ILE CD1 . 16610 1 366 . 1 1 32 32 ILE CG1 C 13 28.388 0.1 . 1 . . . . 30 ILE CG1 . 16610 1 367 . 1 1 32 32 ILE CG2 C 13 16.962 0.1 . 1 . . . . 30 ILE CG2 . 16610 1 368 . 1 1 32 32 ILE N N 15 119.927 0.1 . 1 . . . . 30 ILE N . 16610 1 369 . 1 1 33 33 ILE H H 1 7.951 0.02 . 1 . . . . 31 ILE H . 16610 1 370 . 1 1 33 33 ILE HA H 1 4.085 0.02 . 1 . . . . 31 ILE HA . 16610 1 371 . 1 1 33 33 ILE HB H 1 2.088 0.02 . 1 . . . . 31 ILE HB . 16610 1 372 . 1 1 33 33 ILE HD11 H 1 1.028 0.02 . 1 . . . . 31 ILE QD1 . 16610 1 373 . 1 1 33 33 ILE HD12 H 1 1.028 0.02 . 1 . . . . 31 ILE QD1 . 16610 1 374 . 1 1 33 33 ILE HD13 H 1 1.028 0.02 . 1 . . . . 31 ILE QD1 . 16610 1 375 . 1 1 33 33 ILE HG12 H 1 1.722 0.02 . 2 . . . . 31 ILE HG12 . 16610 1 376 . 1 1 33 33 ILE HG13 H 1 1.480 0.02 . 2 . . . . 31 ILE HG13 . 16610 1 377 . 1 1 33 33 ILE HG21 H 1 1.070 0.02 . 1 . . . . 31 ILE QG2 . 16610 1 378 . 1 1 33 33 ILE HG22 H 1 1.070 0.02 . 1 . . . . 31 ILE QG2 . 16610 1 379 . 1 1 33 33 ILE HG23 H 1 1.070 0.02 . 1 . . . . 31 ILE QG2 . 16610 1 380 . 1 1 33 33 ILE C C 13 178.184 0.1 . 1 . . . . 31 ILE C . 16610 1 381 . 1 1 33 33 ILE CA C 13 64.480 0.1 . 1 . . . . 31 ILE CA . 16610 1 382 . 1 1 33 33 ILE CB C 13 38.576 0.1 . 1 . . . . 31 ILE CB . 16610 1 383 . 1 1 33 33 ILE CD1 C 13 14.072 0.1 . 1 . . . . 31 ILE CD1 . 16610 1 384 . 1 1 33 33 ILE CG1 C 13 28.388 0.1 . 1 . . . . 31 ILE CG1 . 16610 1 385 . 1 1 33 33 ILE CG2 C 13 17.513 0.1 . 1 . . . . 31 ILE CG2 . 16610 1 386 . 1 1 33 33 ILE N N 15 115.492 0.1 . 1 . . . . 31 ILE N . 16610 1 387 . 1 1 34 34 THR H H 1 8.023 0.02 . 1 . . . . 32 THR H . 16610 1 388 . 1 1 34 34 THR HA H 1 4.279 0.02 . 1 . . . . 32 THR HA . 16610 1 389 . 1 1 34 34 THR HB H 1 4.362 0.02 . 1 . . . . 32 THR HB . 16610 1 390 . 1 1 34 34 THR HG1 H 1 4.560 0.02 . 1 . . . . 32 THR HG1 . 16610 1 391 . 1 1 34 34 THR HG21 H 1 1.394 0.02 . 1 . . . . 32 THR QG2 . 16610 1 392 . 1 1 34 34 THR HG22 H 1 1.394 0.02 . 1 . . . . 32 THR QG2 . 16610 1 393 . 1 1 34 34 THR HG23 H 1 1.394 0.02 . 1 . . . . 32 THR QG2 . 16610 1 394 . 1 1 34 34 THR C C 13 175.599 0.1 . 1 . . . . 32 THR C . 16610 1 395 . 1 1 34 34 THR CA C 13 63.901 0.1 . 1 . . . . 32 THR CA . 16610 1 396 . 1 1 34 34 THR CB C 13 70.270 0.1 . 1 . . . . 32 THR CB . 16610 1 397 . 1 1 34 34 THR CG2 C 13 22.780 0.1 . 1 . . . . 32 THR CG2 . 16610 1 398 . 1 1 34 34 THR N N 15 110.823 0.1 . 1 . . . . 32 THR N . 16610 1 399 . 1 1 35 35 LYS H H 1 8.597 0.02 . 1 . . . . 33 LYS H . 16610 1 400 . 1 1 35 35 LYS HA H 1 4.022 0.02 . 1 . . . . 33 LYS HA . 16610 1 401 . 1 1 35 35 LYS HB2 H 1 2.164 0.02 . 2 . . . . 33 LYS HB2 . 16610 1 402 . 1 1 35 35 LYS HB3 H 1 2.164 0.02 . 2 . . . . 33 LYS HB3 . 16610 1 403 . 1 1 35 35 LYS HD2 H 1 1.864 0.02 . 2 . . . . 33 LYS HD2 . 16610 1 404 . 1 1 35 35 LYS HD3 H 1 1.783 0.02 . 2 . . . . 33 LYS HD3 . 16610 1 405 . 1 1 35 35 LYS HE2 H 1 3.174 0.02 . 2 . . . . 33 LYS HE2 . 16610 1 406 . 1 1 35 35 LYS HE3 H 1 3.174 0.02 . 2 . . . . 33 LYS HE3 . 16610 1 407 . 1 1 35 35 LYS HG2 H 1 1.574 0.02 . 2 . . . . 33 LYS HG2 . 16610 1 408 . 1 1 35 35 LYS HG3 H 1 1.403 0.02 . 2 . . . . 33 LYS HG3 . 16610 1 409 . 1 1 35 35 LYS C C 13 175.801 0.1 . 1 . . . . 33 LYS C . 16610 1 410 . 1 1 35 35 LYS CA C 13 57.634 0.1 . 1 . . . . 33 LYS CA . 16610 1 411 . 1 1 35 35 LYS CB C 13 30.124 0.1 . 1 . . . . 33 LYS CB . 16610 1 412 . 1 1 35 35 LYS CD C 13 29.500 0.1 . 1 . . . . 33 LYS CD . 16610 1 413 . 1 1 35 35 LYS CE C 13 42.979 0.1 . 1 . . . . 33 LYS CE . 16610 1 414 . 1 1 35 35 LYS CG C 13 25.222 0.1 . 1 . . . . 33 LYS CG . 16610 1 415 . 1 1 35 35 LYS N N 15 119.156 0.1 . 1 . . . . 33 LYS N . 16610 1 416 . 1 1 36 36 SER H H 1 7.825 0.02 . 1 . . . . 34 SER H . 16610 1 417 . 1 1 36 36 SER HA H 1 4.500 0.02 . 1 . . . . 34 SER HA . 16610 1 418 . 1 1 36 36 SER HB2 H 1 3.903 0.02 . 2 . . . . 34 SER HB2 . 16610 1 419 . 1 1 36 36 SER HB3 H 1 3.504 0.02 . 2 . . . . 34 SER HB3 . 16610 1 420 . 1 1 36 36 SER C C 13 172.912 0.1 . 1 . . . . 34 SER C . 16610 1 421 . 1 1 36 36 SER CA C 13 57.452 0.1 . 1 . . . . 34 SER CA . 16610 1 422 . 1 1 36 36 SER CB C 13 64.860 0.1 . 1 . . . . 34 SER CB . 16610 1 423 . 1 1 36 36 SER N N 15 110.935 0.1 . 1 . . . . 34 SER N . 16610 1 424 . 1 1 37 37 SER H H 1 7.757 0.02 . 1 . . . . 35 SER H . 16610 1 425 . 1 1 37 37 SER HA H 1 4.321 0.02 . 1 . . . . 35 SER HA . 16610 1 426 . 1 1 37 37 SER HB2 H 1 3.753 0.02 . 2 . . . . 35 SER HB2 . 16610 1 427 . 1 1 37 37 SER HB3 H 1 3.013 0.02 . 2 . . . . 35 SER HB3 . 16610 1 428 . 1 1 37 37 SER C C 13 174.286 0.1 . 1 . . . . 35 SER C . 16610 1 429 . 1 1 37 37 SER CA C 13 58.159 0.1 . 1 . . . . 35 SER CA . 16610 1 430 . 1 1 37 37 SER CB C 13 63.200 0.1 . 1 . . . . 35 SER CB . 16610 1 431 . 1 1 37 37 SER N N 15 116.960 0.1 . 1 . . . . 35 SER N . 16610 1 432 . 1 1 38 38 LYS H H 1 8.140 0.02 . 1 . . . . 36 LYS H . 16610 1 433 . 1 1 38 38 LYS HA H 1 4.454 0.02 . 1 . . . . 36 LYS HA . 16610 1 434 . 1 1 38 38 LYS HB2 H 1 1.843 0.02 . 2 . . . . 36 LYS HB2 . 16610 1 435 . 1 1 38 38 LYS HB3 H 1 1.591 0.02 . 2 . . . . 36 LYS HB3 . 16610 1 436 . 1 1 38 38 LYS HD2 H 1 1.612 0.02 . 2 . . . . 36 LYS HD2 . 16610 1 437 . 1 1 38 38 LYS HD3 H 1 1.612 0.02 . 2 . . . . 36 LYS HD3 . 16610 1 438 . 1 1 38 38 LYS HE2 H 1 2.934 0.02 . 2 . . . . 36 LYS HE2 . 16610 1 439 . 1 1 38 38 LYS HE3 H 1 2.934 0.02 . 2 . . . . 36 LYS HE3 . 16610 1 440 . 1 1 38 38 LYS HG2 H 1 1.342 0.02 . 2 . . . . 36 LYS HG2 . 16610 1 441 . 1 1 38 38 LYS HG3 H 1 1.291 0.02 . 2 . . . . 36 LYS HG3 . 16610 1 442 . 1 1 38 38 LYS C C 13 175.881 0.1 . 1 . . . . 36 LYS C . 16610 1 443 . 1 1 38 38 LYS CA C 13 55.946 0.1 . 1 . . . . 36 LYS CA . 16610 1 444 . 1 1 38 38 LYS CB C 13 32.941 0.1 . 1 . . . . 36 LYS CB . 16610 1 445 . 1 1 38 38 LYS CD C 13 29.214 0.1 . 1 . . . . 36 LYS CD . 16610 1 446 . 1 1 38 38 LYS CE C 13 42.429 0.1 . 1 . . . . 36 LYS CE . 16610 1 447 . 1 1 38 38 LYS CG C 13 24.671 0.1 . 1 . . . . 36 LYS CG . 16610 1 448 . 1 1 38 38 LYS N N 15 121.468 0.1 . 1 . . . . 36 LYS N . 16610 1 449 . 1 1 39 39 GLY H H 1 7.497 0.02 . 1 . . . . 37 GLY H . 16610 1 450 . 1 1 39 39 GLY HA2 H 1 3.844 0.02 . 2 . . . . 37 GLY HA2 . 16610 1 451 . 1 1 39 39 GLY HA3 H 1 3.328 0.02 . 2 . . . . 37 GLY HA3 . 16610 1 452 . 1 1 39 39 GLY C C 13 170.933 0.1 . 1 . . . . 37 GLY C . 16610 1 453 . 1 1 39 39 GLY CA C 13 44.454 0.1 . 1 . . . . 37 GLY CA . 16610 1 454 . 1 1 39 39 GLY N N 15 108.366 0.1 . 1 . . . . 37 GLY N . 16610 1 455 . 1 1 40 40 ASP H H 1 7.868 0.02 . 1 . . . . 38 ASP H . 16610 1 456 . 1 1 40 40 ASP HA H 1 4.750 0.02 . 1 . . . . 38 ASP HA . 16610 1 457 . 1 1 40 40 ASP HB2 H 1 2.381 0.02 . 2 . . . . 38 ASP HB2 . 16610 1 458 . 1 1 40 40 ASP HB3 H 1 2.381 0.02 . 2 . . . . 38 ASP HB3 . 16610 1 459 . 1 1 40 40 ASP C C 13 173.579 0.1 . 1 . . . . 38 ASP C . 16610 1 460 . 1 1 40 40 ASP CA C 13 53.350 0.1 . 1 . . . . 38 ASP CA . 16610 1 461 . 1 1 40 40 ASP CB C 13 41.534 0.1 . 1 . . . . 38 ASP CB . 16610 1 462 . 1 1 40 40 ASP N N 15 120.161 0.1 . 1 . . . . 38 ASP N . 16610 1 463 . 1 1 41 41 PHE H H 1 8.026 0.02 . 1 . . . . 39 PHE H . 16610 1 464 . 1 1 41 41 PHE HA H 1 5.012 0.02 . 1 . . . . 39 PHE HA . 16610 1 465 . 1 1 41 41 PHE HB2 H 1 2.954 0.02 . 2 . . . . 39 PHE HB2 . 16610 1 466 . 1 1 41 41 PHE HB3 H 1 2.575 0.02 . 2 . . . . 39 PHE HB3 . 16610 1 467 . 1 1 41 41 PHE HD1 H 1 6.989 0.02 . 1 . . . . 39 PHE HD1 . 16610 1 468 . 1 1 41 41 PHE HD2 H 1 6.989 0.02 . 1 . . . . 39 PHE HD2 . 16610 1 469 . 1 1 41 41 PHE HE1 H 1 7.402 0.02 . 1 . . . . 39 PHE HE1 . 16610 1 470 . 1 1 41 41 PHE HE2 H 1 7.402 0.02 . 1 . . . . 39 PHE HE2 . 16610 1 471 . 1 1 41 41 PHE C C 13 174.548 0.1 . 1 . . . . 39 PHE C . 16610 1 472 . 1 1 41 41 PHE CA C 13 55.411 0.1 . 1 . . . . 39 PHE CA . 16610 1 473 . 1 1 41 41 PHE CB C 13 40.407 0.1 . 1 . . . . 39 PHE CB . 16610 1 474 . 1 1 41 41 PHE CD1 C 13 132.047 0.1 . 1 . . . . 39 PHE CD1 . 16610 1 475 . 1 1 41 41 PHE CE1 C 13 130.235 0.1 . 1 . . . . 39 PHE CE1 . 16610 1 476 . 1 1 41 41 PHE N N 15 122.470 0.1 . 1 . . . . 39 PHE N . 16610 1 477 . 1 1 42 42 LEU H H 1 8.851 0.02 . 1 . . . . 40 LEU H . 16610 1 478 . 1 1 42 42 LEU HA H 1 4.906 0.02 . 1 . . . . 40 LEU HA . 16610 1 479 . 1 1 42 42 LEU HB2 H 1 1.210 0.02 . 2 . . . . 40 LEU HB2 . 16610 1 480 . 1 1 42 42 LEU HB3 H 1 1.151 0.02 . 2 . . . . 40 LEU HB3 . 16610 1 481 . 1 1 42 42 LEU HD11 H 1 0.365 0.02 . 2 . . . . 40 LEU QD1 . 16610 1 482 . 1 1 42 42 LEU HD12 H 1 0.365 0.02 . 2 . . . . 40 LEU QD1 . 16610 1 483 . 1 1 42 42 LEU HD13 H 1 0.365 0.02 . 2 . . . . 40 LEU QD1 . 16610 1 484 . 1 1 42 42 LEU HD21 H 1 0.632 0.02 . 2 . . . . 40 LEU QD2 . 16610 1 485 . 1 1 42 42 LEU HD22 H 1 0.632 0.02 . 2 . . . . 40 LEU QD2 . 16610 1 486 . 1 1 42 42 LEU HD23 H 1 0.632 0.02 . 2 . . . . 40 LEU QD2 . 16610 1 487 . 1 1 42 42 LEU HG H 1 1.125 0.02 . 1 . . . . 40 LEU HG . 16610 1 488 . 1 1 42 42 LEU C C 13 174.286 0.1 . 1 . . . . 40 LEU C . 16610 1 489 . 1 1 42 42 LEU CA C 13 53.593 0.1 . 1 . . . . 40 LEU CA . 16610 1 490 . 1 1 42 42 LEU CB C 13 44.492 0.1 . 1 . . . . 40 LEU CB . 16610 1 491 . 1 1 42 42 LEU CD1 C 13 25.690 0.1 . 1 . . . . 40 LEU CD1 . 16610 1 492 . 1 1 42 42 LEU CD2 C 13 23.102 0.1 . 1 . . . . 40 LEU CD2 . 16610 1 493 . 1 1 42 42 LEU CG C 13 26.984 0.1 . 1 . . . . 40 LEU CG . 16610 1 494 . 1 1 42 42 LEU N N 15 126.349 0.1 . 1 . . . . 40 LEU N . 16610 1 495 . 1 1 43 43 ILE H H 1 9.643 0.02 . 1 . . . . 41 ILE H . 16610 1 496 . 1 1 43 43 ILE HA H 1 5.668 0.02 . 1 . . . . 41 ILE HA . 16610 1 497 . 1 1 43 43 ILE HB H 1 1.943 0.02 . 1 . . . . 41 ILE HB . 16610 1 498 . 1 1 43 43 ILE HD11 H 1 0.975 0.02 . 1 . . . . 41 ILE QD1 . 16610 1 499 . 1 1 43 43 ILE HD12 H 1 0.975 0.02 . 1 . . . . 41 ILE QD1 . 16610 1 500 . 1 1 43 43 ILE HD13 H 1 0.975 0.02 . 1 . . . . 41 ILE QD1 . 16610 1 501 . 1 1 43 43 ILE HG12 H 1 1.250 0.02 . 2 . . . . 41 ILE HG12 . 16610 1 502 . 1 1 43 43 ILE HG13 H 1 1.677 0.02 . 2 . . . . 41 ILE HG13 . 16610 1 503 . 1 1 43 43 ILE HG21 H 1 1.008 0.02 . 1 . . . . 41 ILE QG2 . 16610 1 504 . 1 1 43 43 ILE HG22 H 1 1.008 0.02 . 1 . . . . 41 ILE QG2 . 16610 1 505 . 1 1 43 43 ILE HG23 H 1 1.008 0.02 . 1 . . . . 41 ILE QG2 . 16610 1 506 . 1 1 43 43 ILE C C 13 177.033 0.1 . 1 . . . . 41 ILE C . 16610 1 507 . 1 1 43 43 ILE CA C 13 58.887 0.1 . 1 . . . . 41 ILE CA . 16610 1 508 . 1 1 43 43 ILE CB C 13 40.500 0.1 . 1 . . . . 41 ILE CB . 16610 1 509 . 1 1 43 43 ILE CD1 C 13 13.610 0.1 . 1 . . . . 41 ILE CD1 . 16610 1 510 . 1 1 43 43 ILE CG1 C 13 28.200 0.1 . 1 . . . . 41 ILE CG1 . 16610 1 511 . 1 1 43 43 ILE CG2 C 13 17.495 0.1 . 1 . . . . 41 ILE CG2 . 16610 1 512 . 1 1 43 43 ILE N N 15 121.725 0.1 . 1 . . . . 41 ILE N . 16610 1 513 . 1 1 44 44 ARG H H 1 8.998 0.02 . 1 . . . . 42 ARG H . 16610 1 514 . 1 1 44 44 ARG HA H 1 4.354 0.02 . 1 . . . . 42 ARG HA . 16610 1 515 . 1 1 44 44 ARG HB2 H 1 2.061 0.02 . 2 . . . . 42 ARG HB2 . 16610 1 516 . 1 1 44 44 ARG HB3 H 1 1.181 0.02 . 2 . . . . 42 ARG HB3 . 16610 1 517 . 1 1 44 44 ARG HD2 H 1 2.782 0.02 . 2 . . . . 42 ARG HD2 . 16610 1 518 . 1 1 44 44 ARG HD3 H 1 2.159 0.02 . 2 . . . . 42 ARG HD3 . 16610 1 519 . 1 1 44 44 ARG HE H 1 7.677 0.02 . 1 . . . . 42 ARG HE . 16610 1 520 . 1 1 44 44 ARG HG2 H 1 1.397 0.02 . 2 . . . . 42 ARG HG2 . 16610 1 521 . 1 1 44 44 ARG HG3 H 1 0.820 0.02 . 2 . . . . 42 ARG HG3 . 16610 1 522 . 1 1 44 44 ARG C C 13 175.909 0.1 . 1 . . . . 42 ARG C . 16610 1 523 . 1 1 44 44 ARG CA C 13 57.229 0.1 . 1 . . . . 42 ARG CA . 16610 1 524 . 1 1 44 44 ARG CB C 13 29.561 0.1 . 1 . . . . 42 ARG CB . 16610 1 525 . 1 1 44 44 ARG CD C 13 43.500 0.1 . 1 . . . . 42 ARG CD . 16610 1 526 . 1 1 44 44 ARG CG C 13 25.958 0.1 . 1 . . . . 42 ARG CG . 16610 1 527 . 1 1 44 44 ARG N N 15 131.650 0.1 . 1 . . . . 42 ARG N . 16610 1 528 . 1 1 44 44 ARG NE N 15 118.385 0.1 . 1 . . . . 42 ARG NE . 16610 1 529 . 1 1 45 45 THR H H 1 9.150 0.02 . 1 . . . . 43 THR H . 16610 1 530 . 1 1 45 45 THR HA H 1 4.633 0.02 . 1 . . . . 43 THR HA . 16610 1 531 . 1 1 45 45 THR HB H 1 4.042 0.02 . 1 . . . . 43 THR HB . 16610 1 532 . 1 1 45 45 THR HG21 H 1 1.137 0.02 . 1 . . . . 43 THR QG2 . 16610 1 533 . 1 1 45 45 THR HG22 H 1 1.137 0.02 . 1 . . . . 43 THR QG2 . 16610 1 534 . 1 1 45 45 THR HG23 H 1 1.137 0.02 . 1 . . . . 43 THR QG2 . 16610 1 535 . 1 1 45 45 THR C C 13 172.165 0.1 . 1 . . . . 43 THR C . 16610 1 536 . 1 1 45 45 THR CA C 13 60.686 0.1 . 1 . . . . 43 THR CA . 16610 1 537 . 1 1 45 45 THR CB C 13 71.397 0.1 . 1 . . . . 43 THR CB . 16610 1 538 . 1 1 45 45 THR CG2 C 13 20.269 0.1 . 1 . . . . 43 THR CG2 . 16610 1 539 . 1 1 45 45 THR N N 15 124.808 0.1 . 1 . . . . 43 THR N . 16610 1 540 . 1 1 46 46 LYS H H 1 8.374 0.02 . 1 . . . . 44 LYS H . 16610 1 541 . 1 1 46 46 LYS HA H 1 5.070 0.02 . 1 . . . . 44 LYS HA . 16610 1 542 . 1 1 46 46 LYS HB2 H 1 1.675 0.02 . 2 . . . . 44 LYS HB2 . 16610 1 543 . 1 1 46 46 LYS HB3 H 1 1.675 0.02 . 2 . . . . 44 LYS HB3 . 16610 1 544 . 1 1 46 46 LYS HD2 H 1 1.620 0.02 . 2 . . . . 44 LYS HD2 . 16610 1 545 . 1 1 46 46 LYS HD3 H 1 1.620 0.02 . 2 . . . . 44 LYS HD3 . 16610 1 546 . 1 1 46 46 LYS HE2 H 1 2.906 0.02 . 2 . . . . 44 LYS HE2 . 16610 1 547 . 1 1 46 46 LYS HE3 H 1 2.906 0.02 . 2 . . . . 44 LYS HE3 . 16610 1 548 . 1 1 46 46 LYS HG2 H 1 1.292 0.02 . 2 . . . . 44 LYS HG2 . 16610 1 549 . 1 1 46 46 LYS HG3 H 1 1.202 0.02 . 2 . . . . 44 LYS HG3 . 16610 1 550 . 1 1 46 46 LYS C C 13 176.043 0.1 . 1 . . . . 44 LYS C . 16610 1 551 . 1 1 46 46 LYS CA C 13 55.397 0.1 . 1 . . . . 44 LYS CA . 16610 1 552 . 1 1 46 46 LYS CB C 13 34.209 0.1 . 1 . . . . 44 LYS CB . 16610 1 553 . 1 1 46 46 LYS CD C 13 29.704 0.1 . 1 . . . . 44 LYS CD . 16610 1 554 . 1 1 46 46 LYS CE C 13 42.190 0.1 . 1 . . . . 44 LYS CE . 16610 1 555 . 1 1 46 46 LYS CG C 13 25.403 0.1 . 1 . . . . 44 LYS CG . 16610 1 556 . 1 1 46 46 LYS N N 15 123.780 0.1 . 1 . . . . 44 LYS N . 16610 1 557 . 1 1 47 47 LYS H H 1 8.900 0.02 . 1 . . . . 45 LYS H . 16610 1 558 . 1 1 47 47 LYS HA H 1 4.553 0.02 . 1 . . . . 45 LYS HA . 16610 1 559 . 1 1 47 47 LYS HB2 H 1 1.776 0.02 . 2 . . . . 45 LYS HB2 . 16610 1 560 . 1 1 47 47 LYS HB3 H 1 1.645 0.02 . 2 . . . . 45 LYS HB3 . 16610 1 561 . 1 1 47 47 LYS HD2 H 1 1.734 0.02 . 2 . . . . 45 LYS HD2 . 16610 1 562 . 1 1 47 47 LYS HD3 H 1 1.734 0.02 . 2 . . . . 45 LYS HD3 . 16610 1 563 . 1 1 47 47 LYS HE2 H 1 3.004 0.02 . 2 . . . . 45 LYS HE2 . 16610 1 564 . 1 1 47 47 LYS HE3 H 1 3.004 0.02 . 2 . . . . 45 LYS HE3 . 16610 1 565 . 1 1 47 47 LYS HG2 H 1 1.397 0.02 . 2 . . . . 45 LYS HG2 . 16610 1 566 . 1 1 47 47 LYS HG3 H 1 1.339 0.02 . 2 . . . . 45 LYS HG3 . 16610 1 567 . 1 1 47 47 LYS C C 13 176.033 0.1 . 1 . . . . 45 LYS C . 16610 1 568 . 1 1 47 47 LYS CA C 13 55.467 0.1 . 1 . . . . 45 LYS CA . 16610 1 569 . 1 1 47 47 LYS CB C 13 35.313 0.1 . 1 . . . . 45 LYS CB . 16610 1 570 . 1 1 47 47 LYS CD C 13 29.512 0.1 . 1 . . . . 45 LYS CD . 16610 1 571 . 1 1 47 47 LYS CE C 13 42.579 0.1 . 1 . . . . 45 LYS CE . 16610 1 572 . 1 1 47 47 LYS CG C 13 24.871 0.1 . 1 . . . . 45 LYS CG . 16610 1 573 . 1 1 47 47 LYS N N 15 125.457 0.1 . 1 . . . . 45 LYS N . 16610 1 574 . 1 1 48 48 ASP H H 1 9.413 0.02 . 1 . . . . 46 ASP H . 16610 1 575 . 1 1 48 48 ASP HA H 1 4.368 0.02 . 1 . . . . 46 ASP HA . 16610 1 576 . 1 1 48 48 ASP HB2 H 1 2.974 0.02 . 2 . . . . 46 ASP HB2 . 16610 1 577 . 1 1 48 48 ASP HB3 H 1 2.671 0.02 . 2 . . . . 46 ASP HB3 . 16610 1 578 . 1 1 48 48 ASP C C 13 175.881 0.1 . 1 . . . . 46 ASP C . 16610 1 579 . 1 1 48 48 ASP CA C 13 55.500 0.1 . 1 . . . . 46 ASP CA . 16610 1 580 . 1 1 48 48 ASP CB C 13 39.844 0.1 . 1 . . . . 46 ASP CB . 16610 1 581 . 1 1 48 48 ASP N N 15 126.606 0.1 . 1 . . . . 46 ASP N . 16610 1 582 . 1 1 49 49 GLY H H 1 8.589 0.02 . 1 . . . . 47 GLY H . 16610 1 583 . 1 1 49 49 GLY HA2 H 1 4.220 0.02 . 2 . . . . 47 GLY HA2 . 16610 1 584 . 1 1 49 49 GLY HA3 H 1 3.626 0.02 . 2 . . . . 47 GLY HA3 . 16610 1 585 . 1 1 49 49 GLY C C 13 173.760 0.1 . 1 . . . . 47 GLY C . 16610 1 586 . 1 1 49 49 GLY CA C 13 45.708 0.1 . 1 . . . . 47 GLY CA . 16610 1 587 . 1 1 49 49 GLY N N 15 103.438 0.1 . 1 . . . . 47 GLY N . 16610 1 588 . 1 1 50 50 LYS H H 1 7.868 0.02 . 1 . . . . 48 LYS H . 16610 1 589 . 1 1 50 50 LYS HA H 1 4.677 0.02 . 1 . . . . 48 LYS HA . 16610 1 590 . 1 1 50 50 LYS HB2 H 1 1.865 0.02 . 2 . . . . 48 LYS HB2 . 16610 1 591 . 1 1 50 50 LYS HB3 H 1 1.819 0.02 . 2 . . . . 48 LYS HB3 . 16610 1 592 . 1 1 50 50 LYS HD2 H 1 1.733 0.02 . 2 . . . . 48 LYS HD2 . 16610 1 593 . 1 1 50 50 LYS HD3 H 1 1.733 0.02 . 2 . . . . 48 LYS HD3 . 16610 1 594 . 1 1 50 50 LYS HE2 H 1 3.073 0.02 . 2 . . . . 48 LYS HE2 . 16610 1 595 . 1 1 50 50 LYS HE3 H 1 3.073 0.02 . 2 . . . . 48 LYS HE3 . 16610 1 596 . 1 1 50 50 LYS HG2 H 1 1.446 0.02 . 2 . . . . 48 LYS HG2 . 16610 1 597 . 1 1 50 50 LYS HG3 H 1 1.446 0.02 . 2 . . . . 48 LYS HG3 . 16610 1 598 . 1 1 50 50 LYS C C 13 175.174 0.1 . 1 . . . . 48 LYS C . 16610 1 599 . 1 1 50 50 LYS CA C 13 54.744 0.1 . 1 . . . . 48 LYS CA . 16610 1 600 . 1 1 50 50 LYS CB C 13 35.054 0.1 . 1 . . . . 48 LYS CB . 16610 1 601 . 1 1 50 50 LYS CD C 13 29.287 0.1 . 1 . . . . 48 LYS CD . 16610 1 602 . 1 1 50 50 LYS CE C 13 42.745 0.1 . 1 . . . . 48 LYS CE . 16610 1 603 . 1 1 50 50 LYS CG C 13 24.848 0.1 . 1 . . . . 48 LYS CG . 16610 1 604 . 1 1 50 50 LYS N N 15 120.745 0.1 . 1 . . . . 48 LYS N . 16610 1 605 . 1 1 51 51 GLN H H 1 8.499 0.02 . 1 . . . . 49 GLN H . 16610 1 606 . 1 1 51 51 GLN HA H 1 4.855 0.02 . 1 . . . . 49 GLN HA . 16610 1 607 . 1 1 51 51 GLN HB2 H 1 1.888 0.02 . 2 . . . . 49 GLN HB2 . 16610 1 608 . 1 1 51 51 GLN HB3 H 1 1.670 0.02 . 2 . . . . 49 GLN HB3 . 16610 1 609 . 1 1 51 51 GLN HE21 H 1 7.636 0.02 . 2 . . . . 49 GLN HE21 . 16610 1 610 . 1 1 51 51 GLN HE22 H 1 6.892 0.02 . 2 . . . . 49 GLN HE22 . 16610 1 611 . 1 1 51 51 GLN HG2 H 1 2.276 0.02 . 2 . . . . 49 GLN HG2 . 16610 1 612 . 1 1 51 51 GLN HG3 H 1 2.097 0.02 . 2 . . . . 49 GLN HG3 . 16610 1 613 . 1 1 51 51 GLN C C 13 175.558 0.1 . 1 . . . . 49 GLN C . 16610 1 614 . 1 1 51 51 GLN CA C 13 55.817 0.1 . 1 . . . . 49 GLN CA . 16610 1 615 . 1 1 51 51 GLN CB C 13 29.702 0.1 . 1 . . . . 49 GLN CB . 16610 1 616 . 1 1 51 51 GLN CG C 13 34.150 0.1 . 1 . . . . 49 GLN CG . 16610 1 617 . 1 1 51 51 GLN N N 15 120.954 0.1 . 1 . . . . 49 GLN N . 16610 1 618 . 1 1 51 51 GLN NE2 N 15 112.402 0.1 . 1 . . . . 49 GLN NE2 . 16610 1 619 . 1 1 52 52 VAL H H 1 8.795 0.02 . 1 . . . . 50 VAL H . 16610 1 620 . 1 1 52 52 VAL HA H 1 4.539 0.02 . 1 . . . . 50 VAL HA . 16610 1 621 . 1 1 52 52 VAL HB H 1 2.178 0.02 . 1 . . . . 50 VAL HB . 16610 1 622 . 1 1 52 52 VAL HG11 H 1 0.925 0.02 . 2 . . . . 50 VAL QG1 . 16610 1 623 . 1 1 52 52 VAL HG12 H 1 0.925 0.02 . 2 . . . . 50 VAL QG1 . 16610 1 624 . 1 1 52 52 VAL HG13 H 1 0.925 0.02 . 2 . . . . 50 VAL QG1 . 16610 1 625 . 1 1 52 52 VAL HG21 H 1 0.808 0.02 . 2 . . . . 50 VAL QG2 . 16610 1 626 . 1 1 52 52 VAL HG22 H 1 0.808 0.02 . 2 . . . . 50 VAL QG2 . 16610 1 627 . 1 1 52 52 VAL HG23 H 1 0.808 0.02 . 2 . . . . 50 VAL QG2 . 16610 1 628 . 1 1 52 52 VAL C C 13 174.346 0.1 . 1 . . . . 50 VAL C . 16610 1 629 . 1 1 52 52 VAL CA C 13 59.738 0.1 . 1 . . . . 50 VAL CA . 16610 1 630 . 1 1 52 52 VAL CB C 13 36.181 0.1 . 1 . . . . 50 VAL CB . 16610 1 631 . 1 1 52 52 VAL CG1 C 13 21.657 0.1 . 1 . . . . 50 VAL CG1 . 16610 1 632 . 1 1 52 52 VAL CG2 C 13 19.866 0.1 . 1 . . . . 50 VAL CG2 . 16610 1 633 . 1 1 52 52 VAL N N 15 120.186 0.1 . 1 . . . . 50 VAL N . 16610 1 634 . 1 1 53 53 TRP H H 1 8.558 0.02 . 1 . . . . 51 TRP H . 16610 1 635 . 1 1 53 53 TRP HA H 1 5.222 0.02 . 1 . . . . 51 TRP HA . 16610 1 636 . 1 1 53 53 TRP HB2 H 1 3.277 0.02 . 2 . . . . 51 TRP HB2 . 16610 1 637 . 1 1 53 53 TRP HB3 H 1 3.217 0.02 . 2 . . . . 51 TRP HB3 . 16610 1 638 . 1 1 53 53 TRP HD1 H 1 7.462 0.02 . 1 . . . . 51 TRP HD1 . 16610 1 639 . 1 1 53 53 TRP HE1 H 1 10.436 0.02 . 1 . . . . 51 TRP HE1 . 16610 1 640 . 1 1 53 53 TRP HE3 H 1 7.360 0.02 . 1 . . . . 51 TRP HE3 . 16610 1 641 . 1 1 53 53 TRP HH2 H 1 6.999 0.02 . 1 . . . . 51 TRP HH2 . 16610 1 642 . 1 1 53 53 TRP HZ2 H 1 7.552 0.02 . 1 . . . . 51 TRP HZ2 . 16610 1 643 . 1 1 53 53 TRP HZ3 H 1 7.484 0.02 . 1 . . . . 51 TRP HZ3 . 16610 1 644 . 1 1 53 53 TRP C C 13 176.159 0.1 . 1 . . . . 51 TRP C . 16610 1 645 . 1 1 53 53 TRP CA C 13 55.755 0.1 . 1 . . . . 51 TRP CA . 16610 1 646 . 1 1 53 53 TRP CB C 13 31.392 0.1 . 1 . . . . 51 TRP CB . 16610 1 647 . 1 1 53 53 TRP CD1 C 13 128.941 0.1 . 1 . . . . 51 TRP CD1 . 16610 1 648 . 1 1 53 53 TRP CE3 C 13 120.917 0.1 . 1 . . . . 51 TRP CE3 . 16610 1 649 . 1 1 53 53 TRP CH2 C 13 123.765 0.1 . 1 . . . . 51 TRP CH2 . 16610 1 650 . 1 1 53 53 TRP CZ2 C 13 116.259 0.1 . 1 . . . . 51 TRP CZ2 . 16610 1 651 . 1 1 53 53 TRP CZ3 C 13 123.765 0.1 . 1 . . . . 51 TRP CZ3 . 16610 1 652 . 1 1 53 53 TRP N N 15 122.239 0.1 . 1 . . . . 51 TRP N . 16610 1 653 . 1 1 53 53 TRP NE1 N 15 129.675 0.1 . 1 . . . . 51 TRP NE1 . 16610 1 654 . 1 1 54 54 GLU H H 1 9.151 0.02 . 1 . . . . 52 GLU H . 16610 1 655 . 1 1 54 54 GLU HA H 1 4.866 0.02 . 1 . . . . 52 GLU HA . 16610 1 656 . 1 1 54 54 GLU HB2 H 1 2.152 0.02 . 2 . . . . 52 GLU HB2 . 16610 1 657 . 1 1 54 54 GLU HB3 H 1 1.987 0.02 . 2 . . . . 52 GLU HB3 . 16610 1 658 . 1 1 54 54 GLU HG2 H 1 2.361 0.02 . 2 . . . . 52 GLU HG2 . 16610 1 659 . 1 1 54 54 GLU HG3 H 1 2.335 0.02 . 2 . . . . 52 GLU HG3 . 16610 1 660 . 1 1 54 54 GLU C C 13 174.972 0.1 . 1 . . . . 52 GLU C . 16610 1 661 . 1 1 54 54 GLU CA C 13 54.785 0.1 . 1 . . . . 52 GLU CA . 16610 1 662 . 1 1 54 54 GLU CB C 13 34.134 0.1 . 1 . . . . 52 GLU CB . 16610 1 663 . 1 1 54 54 GLU CG C 13 36.779 0.1 . 1 . . . . 52 GLU CG . 16610 1 664 . 1 1 54 54 GLU N N 15 124.808 0.1 . 1 . . . . 52 GLU N . 16610 1 665 . 1 1 55 55 ALA H H 1 8.775 0.02 . 1 . . . . 53 ALA H . 16610 1 666 . 1 1 55 55 ALA HA H 1 4.698 0.02 . 1 . . . . 53 ALA HA . 16610 1 667 . 1 1 55 55 ALA HB1 H 1 1.492 0.02 . 1 . . . . 53 ALA QB . 16610 1 668 . 1 1 55 55 ALA HB2 H 1 1.492 0.02 . 1 . . . . 53 ALA QB . 16610 1 669 . 1 1 55 55 ALA HB3 H 1 1.492 0.02 . 1 . . . . 53 ALA QB . 16610 1 670 . 1 1 55 55 ALA C C 13 178.790 0.1 . 1 . . . . 53 ALA C . 16610 1 671 . 1 1 55 55 ALA CA C 13 53.006 0.1 . 1 . . . . 53 ALA CA . 16610 1 672 . 1 1 55 55 ALA CB C 13 18.714 0.1 . 1 . . . . 53 ALA CB . 16610 1 673 . 1 1 55 55 ALA N N 15 126.718 0.1 . 1 . . . . 53 ALA N . 16610 1 674 . 1 1 56 56 ALA H H 1 8.395 0.02 . 1 . . . . 54 ALA H . 16610 1 675 . 1 1 56 56 ALA HA H 1 4.326 0.02 . 1 . . . . 54 ALA HA . 16610 1 676 . 1 1 56 56 ALA HB1 H 1 1.426 0.02 . 1 . . . . 54 ALA QB . 16610 1 677 . 1 1 56 56 ALA HB2 H 1 1.426 0.02 . 1 . . . . 54 ALA QB . 16610 1 678 . 1 1 56 56 ALA HB3 H 1 1.426 0.02 . 1 . . . . 54 ALA QB . 16610 1 679 . 1 1 56 56 ALA C C 13 177.073 0.1 . 1 . . . . 54 ALA C . 16610 1 680 . 1 1 56 56 ALA CA C 13 52.200 0.1 . 1 . . . . 54 ALA CA . 16610 1 681 . 1 1 56 56 ALA CB C 13 19.786 0.1 . 1 . . . . 54 ALA CB . 16610 1 682 . 1 1 56 56 ALA N N 15 124.551 0.1 . 1 . . . . 54 ALA N . 16610 1 683 . 1 1 57 57 SER H H 1 8.737 0.02 . 1 . . . . 55 SER H . 16610 1 684 . 1 1 57 57 SER HA H 1 4.520 0.02 . 1 . . . . 55 SER HA . 16610 1 685 . 1 1 57 57 SER HB2 H 1 4.428 0.02 . 2 . . . . 55 SER HB2 . 16610 1 686 . 1 1 57 57 SER HB3 H 1 4.153 0.02 . 2 . . . . 55 SER HB3 . 16610 1 687 . 1 1 57 57 SER C C 13 175.033 0.1 . 1 . . . . 55 SER C . 16610 1 688 . 1 1 57 57 SER CA C 13 57.534 0.1 . 1 . . . . 55 SER CA . 16610 1 689 . 1 1 57 57 SER CB C 13 64.814 0.1 . 1 . . . . 55 SER CB . 16610 1 690 . 1 1 57 57 SER N N 15 118.128 0.1 . 1 . . . . 55 SER N . 16610 1 691 . 1 1 58 58 LYS H H 1 8.993 0.02 . 1 . . . . 56 LYS H . 16610 1 692 . 1 1 58 58 LYS HA H 1 4.121 0.02 . 1 . . . . 56 LYS HA . 16610 1 693 . 1 1 58 58 LYS HB2 H 1 2.052 0.02 . 2 . . . . 56 LYS HB2 . 16610 1 694 . 1 1 58 58 LYS HB3 H 1 1.976 0.02 . 2 . . . . 56 LYS HB3 . 16610 1 695 . 1 1 58 58 LYS HD2 H 1 1.806 0.02 . 2 . . . . 56 LYS HD2 . 16610 1 696 . 1 1 58 58 LYS HD3 H 1 1.806 0.02 . 2 . . . . 56 LYS HD3 . 16610 1 697 . 1 1 58 58 LYS HE2 H 1 3.122 0.02 . 2 . . . . 56 LYS HE2 . 16610 1 698 . 1 1 58 58 LYS HE3 H 1 3.122 0.02 . 2 . . . . 56 LYS HE3 . 16610 1 699 . 1 1 58 58 LYS HG2 H 1 1.745 0.02 . 2 . . . . 56 LYS HG2 . 16610 1 700 . 1 1 58 58 LYS HG3 H 1 1.745 0.02 . 2 . . . . 56 LYS HG3 . 16610 1 701 . 1 1 58 58 LYS C C 13 179.746 0.1 . 1 . . . . 56 LYS C . 16610 1 702 . 1 1 58 58 LYS CA C 13 59.925 0.1 . 1 . . . . 56 LYS CA . 16610 1 703 . 1 1 58 58 LYS CB C 13 32.238 0.1 . 1 . . . . 56 LYS CB . 16610 1 704 . 1 1 58 58 LYS CD C 13 29.464 0.1 . 1 . . . . 56 LYS CD . 16610 1 705 . 1 1 58 58 LYS CG C 13 25.556 0.1 . 1 . . . . 56 LYS CG . 16610 1 706 . 1 1 58 58 LYS N N 15 122.430 0.1 . 1 . . . . 56 LYS N . 16610 1 707 . 1 1 59 59 THR H H 1 8.198 0.02 . 1 . . . . 57 THR H . 16610 1 708 . 1 1 59 59 THR HA H 1 4.021 0.02 . 1 . . . . 57 THR HA . 16610 1 709 . 1 1 59 59 THR HB H 1 4.173 0.02 . 1 . . . . 57 THR HB . 16610 1 710 . 1 1 59 59 THR HG21 H 1 1.346 0.02 . 1 . . . . 57 THR QG2 . 16610 1 711 . 1 1 59 59 THR HG22 H 1 1.346 0.02 . 1 . . . . 57 THR QG2 . 16610 1 712 . 1 1 59 59 THR HG23 H 1 1.346 0.02 . 1 . . . . 57 THR QG2 . 16610 1 713 . 1 1 59 59 THR C C 13 176.225 0.1 . 1 . . . . 57 THR C . 16610 1 714 . 1 1 59 59 THR CA C 13 66.143 0.1 . 1 . . . . 57 THR CA . 16610 1 715 . 1 1 59 59 THR CB C 13 68.721 0.1 . 1 . . . . 57 THR CB . 16610 1 716 . 1 1 59 59 THR CG2 C 13 22.351 0.1 . 1 . . . . 57 THR CG2 . 16610 1 717 . 1 1 59 59 THR N N 15 113.247 0.1 . 1 . . . . 57 THR N . 16610 1 718 . 1 1 60 60 ALA H H 1 7.788 0.02 . 1 . . . . 58 ALA H . 16610 1 719 . 1 1 60 60 ALA HA H 1 4.195 0.02 . 1 . . . . 58 ALA HA . 16610 1 720 . 1 1 60 60 ALA HB1 H 1 1.516 0.02 . 1 . . . . 58 ALA QB . 16610 1 721 . 1 1 60 60 ALA HB2 H 1 1.516 0.02 . 1 . . . . 58 ALA QB . 16610 1 722 . 1 1 60 60 ALA HB3 H 1 1.516 0.02 . 1 . . . . 58 ALA QB . 16610 1 723 . 1 1 60 60 ALA C C 13 181.113 0.1 . 1 . . . . 58 ALA C . 16610 1 724 . 1 1 60 60 ALA CA C 13 55.412 0.1 . 1 . . . . 58 ALA CA . 16610 1 725 . 1 1 60 60 ALA CB C 13 18.186 0.1 . 1 . . . . 58 ALA CB . 16610 1 726 . 1 1 60 60 ALA N N 15 126.092 0.1 . 1 . . . . 58 ALA N . 16610 1 727 . 1 1 61 61 LEU H H 1 8.424 0.02 . 1 . . . . 59 LEU H . 16610 1 728 . 1 1 61 61 LEU HA H 1 3.940 0.02 . 1 . . . . 59 LEU HA . 16610 1 729 . 1 1 61 61 LEU HB2 H 1 1.940 0.02 . 2 . . . . 59 LEU HB2 . 16610 1 730 . 1 1 61 61 LEU HB3 H 1 1.503 0.02 . 2 . . . . 59 LEU HB3 . 16610 1 731 . 1 1 61 61 LEU HD11 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 16610 1 732 . 1 1 61 61 LEU HD12 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 16610 1 733 . 1 1 61 61 LEU HD13 H 1 0.954 0.02 . 2 . . . . 59 LEU QD1 . 16610 1 734 . 1 1 61 61 LEU HD21 H 1 0.706 0.02 . 2 . . . . 59 LEU QD2 . 16610 1 735 . 1 1 61 61 LEU HD22 H 1 0.706 0.02 . 2 . . . . 59 LEU QD2 . 16610 1 736 . 1 1 61 61 LEU HD23 H 1 0.706 0.02 . 2 . . . . 59 LEU QD2 . 16610 1 737 . 1 1 61 61 LEU HG H 1 1.728 0.02 . 1 . . . . 59 LEU HG . 16610 1 738 . 1 1 61 61 LEU C C 13 178.770 0.1 . 1 . . . . 59 LEU C . 16610 1 739 . 1 1 61 61 LEU CA C 13 58.181 0.1 . 1 . . . . 59 LEU CA . 16610 1 740 . 1 1 61 61 LEU CB C 13 42.238 0.1 . 1 . . . . 59 LEU CB . 16610 1 741 . 1 1 61 61 LEU CD1 C 13 25.910 0.1 . 1 . . . . 59 LEU CD1 . 16610 1 742 . 1 1 61 61 LEU CD2 C 13 24.400 0.1 . 1 . . . . 59 LEU CD2 . 16610 1 743 . 1 1 61 61 LEU CG C 13 26.980 0.1 . 1 . . . . 59 LEU CG . 16610 1 744 . 1 1 61 61 LEU N N 15 119.542 0.1 . 1 . . . . 59 LEU N . 16610 1 745 . 1 1 62 62 LYS H H 1 8.143 0.02 . 1 . . . . 60 LYS H . 16610 1 746 . 1 1 62 62 LYS HA H 1 4.193 0.02 . 1 . . . . 60 LYS HA . 16610 1 747 . 1 1 62 62 LYS HB2 H 1 2.045 0.02 . 2 . . . . 60 LYS HB2 . 16610 1 748 . 1 1 62 62 LYS HB3 H 1 2.045 0.02 . 2 . . . . 60 LYS HB3 . 16610 1 749 . 1 1 62 62 LYS HD2 H 1 1.781 0.02 . 2 . . . . 60 LYS HD2 . 16610 1 750 . 1 1 62 62 LYS HD3 H 1 1.781 0.02 . 2 . . . . 60 LYS HD3 . 16610 1 751 . 1 1 62 62 LYS HE2 H 1 3.069 0.02 . 2 . . . . 60 LYS HE2 . 16610 1 752 . 1 1 62 62 LYS HE3 H 1 3.069 0.02 . 2 . . . . 60 LYS HE3 . 16610 1 753 . 1 1 62 62 LYS HG2 H 1 1.580 0.02 . 2 . . . . 60 LYS HG2 . 16610 1 754 . 1 1 62 62 LYS HG3 H 1 1.580 0.02 . 2 . . . . 60 LYS HG3 . 16610 1 755 . 1 1 62 62 LYS C C 13 179.396 0.1 . 1 . . . . 60 LYS C . 16610 1 756 . 1 1 62 62 LYS CA C 13 59.939 0.1 . 1 . . . . 60 LYS CA . 16610 1 757 . 1 1 62 62 LYS CB C 13 32.660 0.1 . 1 . . . . 60 LYS CB . 16610 1 758 . 1 1 62 62 LYS CD C 13 29.764 0.1 . 1 . . . . 60 LYS CD . 16610 1 759 . 1 1 62 62 LYS CE C 13 42.153 0.1 . 1 . . . . 60 LYS CE . 16610 1 760 . 1 1 62 62 LYS CG C 13 25.635 0.1 . 1 . . . . 60 LYS CG . 16610 1 761 . 1 1 62 62 LYS N N 15 119.413 0.1 . 1 . . . . 60 LYS N . 16610 1 762 . 1 1 63 63 LYS H H 1 7.934 0.02 . 1 . . . . 61 LYS H . 16610 1 763 . 1 1 63 63 LYS HA H 1 4.181 0.02 . 1 . . . . 61 LYS HA . 16610 1 764 . 1 1 63 63 LYS HB2 H 1 2.010 0.02 . 2 . . . . 61 LYS HB2 . 16610 1 765 . 1 1 63 63 LYS HB3 H 1 2.010 0.02 . 2 . . . . 61 LYS HB3 . 16610 1 766 . 1 1 63 63 LYS HD2 H 1 1.753 0.02 . 2 . . . . 61 LYS HD2 . 16610 1 767 . 1 1 63 63 LYS HD3 H 1 1.753 0.02 . 2 . . . . 61 LYS HD3 . 16610 1 768 . 1 1 63 63 LYS HE2 H 1 3.027 0.02 . 2 . . . . 61 LYS HE2 . 16610 1 769 . 1 1 63 63 LYS HE3 H 1 3.027 0.02 . 2 . . . . 61 LYS HE3 . 16610 1 770 . 1 1 63 63 LYS HG2 H 1 1.538 0.02 . 2 . . . . 61 LYS HG2 . 16610 1 771 . 1 1 63 63 LYS HG3 H 1 1.538 0.02 . 2 . . . . 61 LYS HG3 . 16610 1 772 . 1 1 63 63 LYS C C 13 179.881 0.1 . 1 . . . . 61 LYS C . 16610 1 773 . 1 1 63 63 LYS CA C 13 59.998 0.1 . 1 . . . . 61 LYS CA . 16610 1 774 . 1 1 63 63 LYS CB C 13 32.941 0.1 . 1 . . . . 61 LYS CB . 16610 1 775 . 1 1 63 63 LYS CD C 13 29.902 0.1 . 1 . . . . 61 LYS CD . 16610 1 776 . 1 1 63 63 LYS CE C 13 42.016 0.1 . 1 . . . . 61 LYS CE . 16610 1 777 . 1 1 63 63 LYS CG C 13 25.497 0.1 . 1 . . . . 61 LYS CG . 16610 1 778 . 1 1 63 63 LYS N N 15 118.642 0.1 . 1 . . . . 61 LYS N . 16610 1 779 . 1 1 64 64 SER H H 1 8.121 0.02 . 1 . . . . 62 SER H . 16610 1 780 . 1 1 64 64 SER HA H 1 4.443 0.02 . 1 . . . . 62 SER HA . 16610 1 781 . 1 1 64 64 SER HB2 H 1 3.979 0.02 . 2 . . . . 62 SER HB2 . 16610 1 782 . 1 1 64 64 SER HB3 H 1 3.979 0.02 . 2 . . . . 62 SER HB3 . 16610 1 783 . 1 1 64 64 SER C C 13 175.700 0.1 . 1 . . . . 62 SER C . 16610 1 784 . 1 1 64 64 SER CA C 13 63.200 0.1 . 1 . . . . 62 SER CA . 16610 1 785 . 1 1 64 64 SER CB C 13 63.500 0.1 . 1 . . . . 62 SER CB . 16610 1 786 . 1 1 64 64 SER N N 15 115.965 0.1 . 1 . . . . 62 SER N . 16610 1 787 . 1 1 65 65 TRP H H 1 8.892 0.02 . 1 . . . . 63 TRP H . 16610 1 788 . 1 1 65 65 TRP HA H 1 4.679 0.02 . 1 . . . . 63 TRP HA . 16610 1 789 . 1 1 65 65 TRP HB2 H 1 3.382 0.02 . 2 . . . . 63 TRP HB2 . 16610 1 790 . 1 1 65 65 TRP HB3 H 1 3.382 0.02 . 2 . . . . 63 TRP HB3 . 16610 1 791 . 1 1 65 65 TRP HD1 H 1 7.203 0.02 . 1 . . . . 63 TRP HD1 . 16610 1 792 . 1 1 65 65 TRP HE1 H 1 9.937 0.02 . 1 . . . . 63 TRP HE1 . 16610 1 793 . 1 1 65 65 TRP HE3 H 1 7.744 0.02 . 1 . . . . 63 TRP HE3 . 16610 1 794 . 1 1 65 65 TRP HH2 H 1 7.080 0.02 . 1 . . . . 63 TRP HH2 . 16610 1 795 . 1 1 65 65 TRP HZ2 H 1 7.585 0.02 . 1 . . . . 63 TRP HZ2 . 16610 1 796 . 1 1 65 65 TRP HZ3 H 1 6.433 0.02 . 1 . . . . 63 TRP HZ3 . 16610 1 797 . 1 1 65 65 TRP C C 13 177.093 0.1 . 1 . . . . 63 TRP C . 16610 1 798 . 1 1 65 65 TRP CA C 13 59.911 0.1 . 1 . . . . 63 TRP CA . 16610 1 799 . 1 1 65 65 TRP CB C 13 29.842 0.1 . 1 . . . . 63 TRP CB . 16610 1 800 . 1 1 65 65 TRP CD1 C 13 127.129 0.1 . 1 . . . . 63 TRP CD1 . 16610 1 801 . 1 1 65 65 TRP CE3 C 13 120.917 0.1 . 1 . . . . 63 TRP CE3 . 16610 1 802 . 1 1 65 65 TRP CH2 C 13 124.800 0.1 . 1 . . . . 63 TRP CH2 . 16610 1 803 . 1 1 65 65 TRP CZ2 C 13 114.447 0.1 . 1 . . . . 63 TRP CZ2 . 16610 1 804 . 1 1 65 65 TRP CZ3 C 13 121.953 0.1 . 1 . . . . 63 TRP CZ3 . 16610 1 805 . 1 1 65 65 TRP N N 15 123.010 0.1 . 1 . . . . 63 TRP N . 16610 1 806 . 1 1 65 65 TRP NE1 N 15 128.353 0.1 . 1 . . . . 63 TRP NE1 . 16610 1 807 . 1 1 66 66 LYS H H 1 8.157 0.02 . 1 . . . . 64 LYS H . 16610 1 808 . 1 1 66 66 LYS HA H 1 4.138 0.02 . 1 . . . . 64 LYS HA . 16610 1 809 . 1 1 66 66 LYS HB2 H 1 2.052 0.02 . 2 . . . . 64 LYS HB2 . 16610 1 810 . 1 1 66 66 LYS HB3 H 1 1.995 0.02 . 2 . . . . 64 LYS HB3 . 16610 1 811 . 1 1 66 66 LYS HD2 H 1 1.800 0.02 . 2 . . . . 64 LYS HD2 . 16610 1 812 . 1 1 66 66 LYS HD3 H 1 1.800 0.02 . 2 . . . . 64 LYS HD3 . 16610 1 813 . 1 1 66 66 LYS HE2 H 1 3.077 0.02 . 2 . . . . 64 LYS HE2 . 16610 1 814 . 1 1 66 66 LYS HE3 H 1 3.077 0.02 . 2 . . . . 64 LYS HE3 . 16610 1 815 . 1 1 66 66 LYS HG2 H 1 1.716 0.02 . 2 . . . . 64 LYS HG2 . 16610 1 816 . 1 1 66 66 LYS HG3 H 1 1.579 0.02 . 2 . . . . 64 LYS HG3 . 16610 1 817 . 1 1 66 66 LYS C C 13 179.113 0.1 . 1 . . . . 64 LYS C . 16610 1 818 . 1 1 66 66 LYS CA C 13 59.000 0.1 . 1 . . . . 64 LYS CA . 16610 1 819 . 1 1 66 66 LYS CB C 13 31.815 0.1 . 1 . . . . 64 LYS CB . 16610 1 820 . 1 1 66 66 LYS CD C 13 29.570 0.1 . 1 . . . . 64 LYS CD . 16610 1 821 . 1 1 66 66 LYS CE C 13 42.704 0.1 . 1 . . . . 64 LYS CE . 16610 1 822 . 1 1 66 66 LYS CG C 13 25.350 0.1 . 1 . . . . 64 LYS CG . 16610 1 823 . 1 1 66 66 LYS N N 15 117.854 0.1 . 1 . . . . 64 LYS N . 16610 1 824 . 1 1 67 67 ARG H H 1 7.418 0.02 . 1 . . . . 65 ARG H . 16610 1 825 . 1 1 67 67 ARG HA H 1 4.129 0.02 . 1 . . . . 65 ARG HA . 16610 1 826 . 1 1 67 67 ARG HB2 H 1 2.068 0.02 . 2 . . . . 65 ARG HB2 . 16610 1 827 . 1 1 67 67 ARG HB3 H 1 1.927 0.02 . 2 . . . . 65 ARG HB3 . 16610 1 828 . 1 1 67 67 ARG HD2 H 1 3.032 0.02 . 2 . . . . 65 ARG HD2 . 16610 1 829 . 1 1 67 67 ARG HD3 H 1 2.608 0.02 . 2 . . . . 65 ARG HD3 . 16610 1 830 . 1 1 67 67 ARG HG2 H 1 1.682 0.02 . 2 . . . . 65 ARG HG2 . 16610 1 831 . 1 1 67 67 ARG HG3 H 1 1.418 0.02 . 2 . . . . 65 ARG HG3 . 16610 1 832 . 1 1 67 67 ARG C C 13 177.719 0.1 . 1 . . . . 65 ARG C . 16610 1 833 . 1 1 67 67 ARG CA C 13 59.495 0.1 . 1 . . . . 65 ARG CA . 16610 1 834 . 1 1 67 67 ARG CB C 13 29.983 0.1 . 1 . . . . 65 ARG CB . 16610 1 835 . 1 1 67 67 ARG CD C 13 43.742 0.1 . 1 . . . . 65 ARG CD . 16610 1 836 . 1 1 67 67 ARG CG C 13 27.250 0.1 . 1 . . . . 65 ARG CG . 16610 1 837 . 1 1 67 67 ARG N N 15 118.642 0.1 . 1 . . . . 65 ARG N . 16610 1 838 . 1 1 68 68 TYR H H 1 8.212 0.02 . 1 . . . . 66 TYR H . 16610 1 839 . 1 1 68 68 TYR HA H 1 4.237 0.02 . 1 . . . . 66 TYR HA . 16610 1 840 . 1 1 68 68 TYR HB2 H 1 2.862 0.02 . 2 . . . . 66 TYR HB2 . 16610 1 841 . 1 1 68 68 TYR HB3 H 1 2.862 0.02 . 2 . . . . 66 TYR HB3 . 16610 1 842 . 1 1 68 68 TYR HD1 H 1 6.221 0.02 . 1 . . . . 66 TYR HD1 . 16610 1 843 . 1 1 68 68 TYR HD2 H 1 6.221 0.02 . 1 . . . . 66 TYR HD2 . 16610 1 844 . 1 1 68 68 TYR HE1 H 1 6.598 0.02 . 1 . . . . 66 TYR HE1 . 16610 1 845 . 1 1 68 68 TYR HE2 H 1 6.598 0.02 . 1 . . . . 66 TYR HE2 . 16610 1 846 . 1 1 68 68 TYR C C 13 177.275 0.1 . 1 . . . . 66 TYR C . 16610 1 847 . 1 1 68 68 TYR CA C 13 61.839 0.1 . 1 . . . . 66 TYR CA . 16610 1 848 . 1 1 68 68 TYR CB C 13 38.435 0.1 . 1 . . . . 66 TYR CB . 16610 1 849 . 1 1 68 68 TYR CD1 C 13 132.824 0.1 . 1 . . . . 66 TYR CD1 . 16610 1 850 . 1 1 68 68 TYR CE1 C 13 117.812 0.1 . 1 . . . . 66 TYR CE1 . 16610 1 851 . 1 1 68 68 TYR N N 15 121.725 0.1 . 1 . . . . 66 TYR N . 16610 1 852 . 1 1 69 69 GLU H H 1 8.696 0.02 . 1 . . . . 67 GLU H . 16610 1 853 . 1 1 69 69 GLU HA H 1 3.484 0.02 . 1 . . . . 67 GLU HA . 16610 1 854 . 1 1 69 69 GLU HB2 H 1 1.875 0.02 . 2 . . . . 67 GLU HB2 . 16610 1 855 . 1 1 69 69 GLU HB3 H 1 1.875 0.02 . 2 . . . . 67 GLU HB3 . 16610 1 856 . 1 1 69 69 GLU HG2 H 1 1.905 0.02 . 2 . . . . 67 GLU HG2 . 16610 1 857 . 1 1 69 69 GLU HG3 H 1 2.024 0.02 . 2 . . . . 67 GLU HG3 . 16610 1 858 . 1 1 69 69 GLU C C 13 178.931 0.1 . 1 . . . . 67 GLU C . 16610 1 859 . 1 1 69 69 GLU CA C 13 59.709 0.1 . 1 . . . . 67 GLU CA . 16610 1 860 . 1 1 69 69 GLU CB C 13 30.124 0.1 . 1 . . . . 67 GLU CB . 16610 1 861 . 1 1 69 69 GLU CG C 13 37.000 0.1 . 1 . . . . 67 GLU CG . 16610 1 862 . 1 1 69 69 GLU N N 15 119.156 0.1 . 1 . . . . 67 GLU N . 16610 1 863 . 1 1 70 70 GLN H H 1 7.853 0.02 . 1 . . . . 68 GLN H . 16610 1 864 . 1 1 70 70 GLN HA H 1 4.012 0.02 . 1 . . . . 68 GLN HA . 16610 1 865 . 1 1 70 70 GLN HB2 H 1 2.284 0.02 . 2 . . . . 68 GLN HB2 . 16610 1 866 . 1 1 70 70 GLN HB3 H 1 2.160 0.02 . 2 . . . . 68 GLN HB3 . 16610 1 867 . 1 1 70 70 GLN HE21 H 1 7.587 0.02 . 2 . . . . 68 GLN HE21 . 16610 1 868 . 1 1 70 70 GLN HE22 H 1 6.880 0.02 . 2 . . . . 68 GLN HE22 . 16610 1 869 . 1 1 70 70 GLN HG2 H 1 2.565 0.02 . 2 . . . . 68 GLN HG2 . 16610 1 870 . 1 1 70 70 GLN HG3 H 1 2.472 0.02 . 2 . . . . 68 GLN HG3 . 16610 1 871 . 1 1 70 70 GLN C C 13 178.366 0.1 . 1 . . . . 68 GLN C . 16610 1 872 . 1 1 70 70 GLN CA C 13 58.644 0.1 . 1 . . . . 68 GLN CA . 16610 1 873 . 1 1 70 70 GLN CB C 13 28.997 0.1 . 1 . . . . 68 GLN CB . 16610 1 874 . 1 1 70 70 GLN CG C 13 34.307 0.1 . 1 . . . . 68 GLN CG . 16610 1 875 . 1 1 70 70 GLN N N 15 116.562 0.1 . 1 . . . . 68 GLN N . 16610 1 876 . 1 1 70 70 GLN NE2 N 15 112.220 0.1 . 1 . . . . 68 GLN NE2 . 16610 1 877 . 1 1 71 71 GLU H H 1 8.290 0.02 . 1 . . . . 69 GLU H . 16610 1 878 . 1 1 71 71 GLU HA H 1 4.148 0.02 . 1 . . . . 69 GLU HA . 16610 1 879 . 1 1 71 71 GLU HB2 H 1 2.105 0.02 . 2 . . . . 69 GLU HB2 . 16610 1 880 . 1 1 71 71 GLU HB3 H 1 2.105 0.02 . 2 . . . . 69 GLU HB3 . 16610 1 881 . 1 1 71 71 GLU HG2 H 1 2.419 0.02 . 2 . . . . 69 GLU HG2 . 16610 1 882 . 1 1 71 71 GLU HG3 H 1 2.375 0.02 . 2 . . . . 69 GLU HG3 . 16610 1 883 . 1 1 71 71 GLU C C 13 178.628 0.1 . 1 . . . . 69 GLU C . 16610 1 884 . 1 1 71 71 GLU CA C 13 58.792 0.1 . 1 . . . . 69 GLU CA . 16610 1 885 . 1 1 71 71 GLU CB C 13 29.983 0.1 . 1 . . . . 69 GLU CB . 16610 1 886 . 1 1 71 71 GLU CG C 13 36.510 0.1 . 1 . . . . 69 GLU CG . 16610 1 887 . 1 1 71 71 GLU N N 15 118.899 0.1 . 1 . . . . 69 GLU N . 16610 1 888 . 1 1 72 72 MET H H 1 8.138 0.02 . 1 . . . . 70 MET H . 16610 1 889 . 1 1 72 72 MET HA H 1 4.410 0.02 . 1 . . . . 70 MET HA . 16610 1 890 . 1 1 72 72 MET HB2 H 1 2.242 0.02 . 2 . . . . 70 MET HB2 . 16610 1 891 . 1 1 72 72 MET HB3 H 1 1.717 0.02 . 2 . . . . 70 MET HB3 . 16610 1 892 . 1 1 72 72 MET HE1 H 1 2.006 0.02 . 1 . . . . 70 MET QE . 16610 1 893 . 1 1 72 72 MET HE2 H 1 2.006 0.02 . 1 . . . . 70 MET QE . 16610 1 894 . 1 1 72 72 MET HE3 H 1 2.006 0.02 . 1 . . . . 70 MET QE . 16610 1 895 . 1 1 72 72 MET HG2 H 1 2.151 0.02 . 2 . . . . 70 MET HG2 . 16610 1 896 . 1 1 72 72 MET HG3 H 1 2.151 0.02 . 2 . . . . 70 MET HG3 . 16610 1 897 . 1 1 72 72 MET C C 13 178.325 0.1 . 1 . . . . 70 MET C . 16610 1 898 . 1 1 72 72 MET CA C 13 56.446 0.1 . 1 . . . . 70 MET CA . 16610 1 899 . 1 1 72 72 MET CB C 13 32.096 0.1 . 1 . . . . 70 MET CB . 16610 1 900 . 1 1 72 72 MET CE C 13 17.606 0.1 . 1 . . . . 70 MET CE . 16610 1 901 . 1 1 72 72 MET CG C 13 32.783 0.1 . 1 . . . . 70 MET CG . 16610 1 902 . 1 1 72 72 MET N N 15 117.358 0.1 . 1 . . . . 70 MET N . 16610 1 903 . 1 1 73 73 LEU H H 1 7.589 0.02 . 1 . . . . 71 LEU H . 16610 1 904 . 1 1 73 73 LEU HA H 1 4.290 0.02 . 1 . . . . 71 LEU HA . 16610 1 905 . 1 1 73 73 LEU HB2 H 1 1.640 0.02 . 2 . . . . 71 LEU HB2 . 16610 1 906 . 1 1 73 73 LEU HB3 H 1 1.827 0.02 . 2 . . . . 71 LEU HB3 . 16610 1 907 . 1 1 73 73 LEU HD11 H 1 0.983 0.02 . 2 . . . . 71 LEU QD1 . 16610 1 908 . 1 1 73 73 LEU HD12 H 1 0.983 0.02 . 2 . . . . 71 LEU QD1 . 16610 1 909 . 1 1 73 73 LEU HD13 H 1 0.983 0.02 . 2 . . . . 71 LEU QD1 . 16610 1 910 . 1 1 73 73 LEU HD21 H 1 0.930 0.02 . 2 . . . . 71 LEU QD2 . 16610 1 911 . 1 1 73 73 LEU HD22 H 1 0.930 0.02 . 2 . . . . 71 LEU QD2 . 16610 1 912 . 1 1 73 73 LEU HD23 H 1 0.930 0.02 . 2 . . . . 71 LEU QD2 . 16610 1 913 . 1 1 73 73 LEU HG H 1 1.625 0.02 . 1 . . . . 71 LEU HG . 16610 1 914 . 1 1 73 73 LEU C C 13 178.366 0.1 . 1 . . . . 71 LEU C . 16610 1 915 . 1 1 73 73 LEU CA C 13 56.516 0.1 . 1 . . . . 71 LEU CA . 16610 1 916 . 1 1 73 73 LEU CB C 13 41.957 0.1 . 1 . . . . 71 LEU CB . 16610 1 917 . 1 1 73 73 LEU CD1 C 13 25.497 0.1 . 1 . . . . 71 LEU CD1 . 16610 1 918 . 1 1 73 73 LEU CD2 C 13 23.508 0.1 . 1 . . . . 71 LEU CD2 . 16610 1 919 . 1 1 73 73 LEU CG C 13 26.736 0.1 . 1 . . . . 71 LEU CG . 16610 1 920 . 1 1 73 73 LEU N N 15 119.670 0.1 . 1 . . . . 71 LEU N . 16610 1 921 . 1 1 74 74 LYS H H 1 7.664 0.02 . 1 . . . . 72 LYS H . 16610 1 922 . 1 1 74 74 LYS HA H 1 4.185 0.02 . 1 . . . . 72 LYS HA . 16610 1 923 . 1 1 74 74 LYS HB2 H 1 1.911 0.02 . 2 . . . . 72 LYS HB2 . 16610 1 924 . 1 1 74 74 LYS HB3 H 1 1.911 0.02 . 2 . . . . 72 LYS HB3 . 16610 1 925 . 1 1 74 74 LYS HD2 H 1 1.730 0.02 . 2 . . . . 72 LYS HD2 . 16610 1 926 . 1 1 74 74 LYS HD3 H 1 1.730 0.02 . 2 . . . . 72 LYS HD3 . 16610 1 927 . 1 1 74 74 LYS HG2 H 1 1.428 0.02 . 2 . . . . 72 LYS HG2 . 16610 1 928 . 1 1 74 74 LYS HG3 H 1 1.428 0.02 . 2 . . . . 72 LYS HG3 . 16610 1 929 . 1 1 74 74 LYS C C 13 177.113 0.1 . 1 . . . . 72 LYS C . 16610 1 930 . 1 1 74 74 LYS CA C 13 57.851 0.1 . 1 . . . . 72 LYS CA . 16610 1 931 . 1 1 74 74 LYS CB C 13 32.519 0.1 . 1 . . . . 72 LYS CB . 16610 1 932 . 1 1 74 74 LYS CD C 13 29.489 0.1 . 1 . . . . 72 LYS CD . 16610 1 933 . 1 1 74 74 LYS CG C 13 24.946 0.1 . 1 . . . . 72 LYS CG . 16610 1 934 . 1 1 74 74 LYS N N 15 118.899 0.1 . 1 . . . . 72 LYS N . 16610 1 935 . 1 1 75 75 ASN H H 1 8.070 0.02 . 1 . . . . 73 ASN H . 16610 1 936 . 1 1 75 75 ASN HA H 1 4.705 0.02 . 1 . . . . 73 ASN HA . 16610 1 937 . 1 1 75 75 ASN HB2 H 1 2.927 0.02 . 2 . . . . 73 ASN HB2 . 16610 1 938 . 1 1 75 75 ASN HB3 H 1 2.838 0.02 . 2 . . . . 73 ASN HB3 . 16610 1 939 . 1 1 75 75 ASN HD21 H 1 7.596 0.02 . 2 . . . . 73 ASN HD21 . 16610 1 940 . 1 1 75 75 ASN HD22 H 1 6.978 0.02 . 2 . . . . 73 ASN HD22 . 16610 1 941 . 1 1 75 75 ASN C C 13 175.841 0.1 . 1 . . . . 73 ASN C . 16610 1 942 . 1 1 75 75 ASN CA C 13 54.016 0.1 . 1 . . . . 73 ASN CA . 16610 1 943 . 1 1 75 75 ASN CB C 13 38.600 0.1 . 1 . . . . 73 ASN CB . 16610 1 944 . 1 1 75 75 ASN N N 15 117.571 0.1 . 1 . . . . 73 ASN N . 16610 1 945 . 1 1 75 75 ASN ND2 N 15 112.734 0.1 . 1 . . . . 73 ASN ND2 . 16610 1 946 . 1 1 76 76 GLU H H 1 8.263 0.02 . 1 . . . . 74 GLU H . 16610 1 947 . 1 1 76 76 GLU HA H 1 4.302 0.02 . 1 . . . . 74 GLU HA . 16610 1 948 . 1 1 76 76 GLU HB2 H 1 2.117 0.02 . 2 . . . . 74 GLU HB2 . 16610 1 949 . 1 1 76 76 GLU HB3 H 1 2.117 0.02 . 2 . . . . 74 GLU HB3 . 16610 1 950 . 1 1 76 76 GLU HG2 H 1 2.356 0.02 . 2 . . . . 74 GLU HG2 . 16610 1 951 . 1 1 76 76 GLU HG3 H 1 2.356 0.02 . 2 . . . . 74 GLU HG3 . 16610 1 952 . 1 1 76 76 GLU C C 13 177.033 0.1 . 1 . . . . 74 GLU C . 16610 1 953 . 1 1 76 76 GLU CA C 13 57.676 0.1 . 1 . . . . 74 GLU CA . 16610 1 954 . 1 1 76 76 GLU CB C 13 30.406 0.1 . 1 . . . . 74 GLU CB . 16610 1 955 . 1 1 76 76 GLU CG C 13 36.641 0.1 . 1 . . . . 74 GLU CG . 16610 1 956 . 1 1 76 76 GLU N N 15 121.122 0.1 . 1 . . . . 74 GLU N . 16610 1 957 . 1 1 77 77 LYS H H 1 8.211 0.02 . 1 . . . . 75 LYS H . 16610 1 958 . 1 1 77 77 LYS HA H 1 3.818 0.02 . 1 . . . . 75 LYS HA . 16610 1 959 . 1 1 77 77 LYS HB2 H 1 1.955 0.02 . 2 . . . . 75 LYS HB2 . 16610 1 960 . 1 1 77 77 LYS HB3 H 1 1.955 0.02 . 2 . . . . 75 LYS HB3 . 16610 1 961 . 1 1 77 77 LYS HD2 H 1 1.528 0.02 . 2 . . . . 75 LYS HD2 . 16610 1 962 . 1 1 77 77 LYS HD3 H 1 1.528 0.02 . 2 . . . . 75 LYS HD3 . 16610 1 963 . 1 1 77 77 LYS HE2 H 1 3.096 0.02 . 2 . . . . 75 LYS HE2 . 16610 1 964 . 1 1 77 77 LYS HE3 H 1 3.096 0.02 . 2 . . . . 75 LYS HE3 . 16610 1 965 . 1 1 77 77 LYS HG2 H 1 1.780 0.02 . 2 . . . . 75 LYS HG2 . 16610 1 966 . 1 1 77 77 LYS HG3 H 1 1.780 0.02 . 2 . . . . 75 LYS HG3 . 16610 1 967 . 1 1 77 77 LYS C C 13 177.255 0.1 . 1 . . . . 75 LYS C . 16610 1 968 . 1 1 77 77 LYS CA C 13 57.400 0.1 . 1 . . . . 75 LYS CA . 16610 1 969 . 1 1 77 77 LYS CB C 13 32.660 0.1 . 1 . . . . 75 LYS CB . 16610 1 970 . 1 1 77 77 LYS CD C 13 29.351 0.1 . 1 . . . . 75 LYS CD . 16610 1 971 . 1 1 77 77 LYS CE C 13 45.870 0.1 . 1 . . . . 75 LYS CE . 16610 1 972 . 1 1 77 77 LYS CG C 13 25.084 0.1 . 1 . . . . 75 LYS CG . 16610 1 973 . 1 1 77 77 LYS N N 15 121.725 0.1 . 1 . . . . 75 LYS N . 16610 1 974 . 1 1 78 78 VAL H H 1 7.988 0.02 . 1 . . . . 76 VAL H . 16610 1 975 . 1 1 78 78 VAL HA H 1 4.082 0.02 . 1 . . . . 76 VAL HA . 16610 1 976 . 1 1 78 78 VAL HB H 1 2.153 0.02 . 1 . . . . 76 VAL HB . 16610 1 977 . 1 1 78 78 VAL HG11 H 1 1.024 0.02 . 2 . . . . 76 VAL QG1 . 16610 1 978 . 1 1 78 78 VAL HG12 H 1 1.024 0.02 . 2 . . . . 76 VAL QG1 . 16610 1 979 . 1 1 78 78 VAL HG13 H 1 1.024 0.02 . 2 . . . . 76 VAL QG1 . 16610 1 980 . 1 1 78 78 VAL HG21 H 1 1.004 0.02 . 2 . . . . 76 VAL QG2 . 16610 1 981 . 1 1 78 78 VAL HG22 H 1 1.004 0.02 . 2 . . . . 76 VAL QG2 . 16610 1 982 . 1 1 78 78 VAL HG23 H 1 1.004 0.02 . 2 . . . . 76 VAL QG2 . 16610 1 983 . 1 1 78 78 VAL C C 13 176.487 0.1 . 1 . . . . 76 VAL C . 16610 1 984 . 1 1 78 78 VAL CA C 13 63.173 0.1 . 1 . . . . 76 VAL CA . 16610 1 985 . 1 1 78 78 VAL CB C 13 32.801 0.1 . 1 . . . . 76 VAL CB . 16610 1 986 . 1 1 78 78 VAL CG1 C 13 21.241 0.1 . 1 . . . . 76 VAL CG1 . 16610 1 987 . 1 1 78 78 VAL CG2 C 13 19.714 0.1 . 1 . . . . 76 VAL CG2 . 16610 1 988 . 1 1 78 78 VAL N N 15 120.318 0.1 . 1 . . . . 76 VAL N . 16610 1 989 . 1 1 79 79 ALA H H 1 8.282 0.02 . 1 . . . . 77 ALA H . 16610 1 990 . 1 1 79 79 ALA HA H 1 4.314 0.02 . 1 . . . . 77 ALA HA . 16610 1 991 . 1 1 79 79 ALA HB1 H 1 1.470 0.02 . 1 . . . . 77 ALA QB . 16610 1 992 . 1 1 79 79 ALA HB2 H 1 1.470 0.02 . 1 . . . . 77 ALA QB . 16610 1 993 . 1 1 79 79 ALA HB3 H 1 1.470 0.02 . 1 . . . . 77 ALA QB . 16610 1 994 . 1 1 79 79 ALA C C 13 178.022 0.1 . 1 . . . . 77 ALA C . 16610 1 995 . 1 1 79 79 ALA CA C 13 53.184 0.1 . 1 . . . . 77 ALA CA . 16610 1 996 . 1 1 79 79 ALA CB C 13 19.278 0.1 . 1 . . . . 77 ALA CB . 16610 1 997 . 1 1 79 79 ALA N N 15 126.606 0.1 . 1 . . . . 77 ALA N . 16610 1 998 . 1 1 80 80 ALA H H 1 8.172 0.02 . 1 . . . . 78 ALA H . 16610 1 999 . 1 1 80 80 ALA HA H 1 4.314 0.02 . 1 . . . . 78 ALA HA . 16610 1 1000 . 1 1 80 80 ALA HB1 H 1 1.468 0.02 . 1 . . . . 78 ALA QB . 16610 1 1001 . 1 1 80 80 ALA HB2 H 1 1.468 0.02 . 1 . . . . 78 ALA QB . 16610 1 1002 . 1 1 80 80 ALA HB3 H 1 1.468 0.02 . 1 . . . . 78 ALA QB . 16610 1 1003 . 1 1 80 80 ALA C C 13 178.265 0.1 . 1 . . . . 78 ALA C . 16610 1 1004 . 1 1 80 80 ALA CA C 13 53.218 0.1 . 1 . . . . 78 ALA CA . 16610 1 1005 . 1 1 80 80 ALA CB C 13 18.996 0.1 . 1 . . . . 78 ALA CB . 16610 1 1006 . 1 1 80 80 ALA N N 15 122.496 0.1 . 1 . . . . 78 ALA N . 16610 1 1007 . 1 1 81 81 LYS H H 1 8.084 0.02 . 1 . . . . 79 LYS H . 16610 1 1008 . 1 1 81 81 LYS HA H 1 4.326 0.02 . 1 . . . . 79 LYS HA . 16610 1 1009 . 1 1 81 81 LYS HB2 H 1 1.899 0.02 . 2 . . . . 79 LYS HB2 . 16610 1 1010 . 1 1 81 81 LYS HB3 H 1 1.899 0.02 . 2 . . . . 79 LYS HB3 . 16610 1 1011 . 1 1 81 81 LYS HD2 H 1 1.769 0.02 . 2 . . . . 79 LYS HD2 . 16610 1 1012 . 1 1 81 81 LYS HD3 H 1 1.769 0.02 . 2 . . . . 79 LYS HD3 . 16610 1 1013 . 1 1 81 81 LYS HG2 H 1 1.506 0.02 . 2 . . . . 79 LYS HG2 . 16610 1 1014 . 1 1 81 81 LYS HG3 H 1 1.506 0.02 . 2 . . . . 79 LYS HG3 . 16610 1 1015 . 1 1 81 81 LYS C C 13 177.012 0.1 . 1 . . . . 79 LYS C . 16610 1 1016 . 1 1 81 81 LYS CA C 13 56.866 0.1 . 1 . . . . 79 LYS CA . 16610 1 1017 . 1 1 81 81 LYS CB C 13 32.941 0.1 . 1 . . . . 79 LYS CB . 16610 1 1018 . 1 1 81 81 LYS CD C 13 29.287 0.1 . 1 . . . . 79 LYS CD . 16610 1 1019 . 1 1 81 81 LYS CG C 13 24.987 0.1 . 1 . . . . 79 LYS CG . 16610 1 1020 . 1 1 81 81 LYS N N 15 119.434 0.1 . 1 . . . . 79 LYS N . 16610 1 1021 . 1 1 82 82 MET H H 1 8.261 0.02 . 1 . . . . 80 MET H . 16610 1 1022 . 1 1 82 82 MET HA H 1 4.497 0.02 . 1 . . . . 80 MET HA . 16610 1 1023 . 1 1 82 82 MET HB2 H 1 2.171 0.02 . 2 . . . . 80 MET HB2 . 16610 1 1024 . 1 1 82 82 MET HB3 H 1 2.124 0.02 . 2 . . . . 80 MET HB3 . 16610 1 1025 . 1 1 82 82 MET HG2 H 1 2.700 0.02 . 2 . . . . 80 MET HG2 . 16610 1 1026 . 1 1 82 82 MET HG3 H 1 2.633 0.02 . 2 . . . . 80 MET HG3 . 16610 1 1027 . 1 1 82 82 MET C C 13 176.326 0.1 . 1 . . . . 80 MET C . 16610 1 1028 . 1 1 82 82 MET CA C 13 56.045 0.1 . 1 . . . . 80 MET CA . 16610 1 1029 . 1 1 82 82 MET CB C 13 33.082 0.1 . 1 . . . . 80 MET CB . 16610 1 1030 . 1 1 82 82 MET CG C 13 32.340 0.1 . 1 . . . . 80 MET CG . 16610 1 1031 . 1 1 82 82 MET N N 15 120.954 0.1 . 1 . . . . 80 MET N . 16610 1 1032 . 1 1 83 83 LEU H H 1 8.169 0.02 . 1 . . . . 81 LEU H . 16610 1 1033 . 1 1 83 83 LEU HA H 1 4.386 0.02 . 1 . . . . 81 LEU HA . 16610 1 1034 . 1 1 83 83 LEU HB2 H 1 1.751 0.02 . 2 . . . . 81 LEU HB2 . 16610 1 1035 . 1 1 83 83 LEU HB3 H 1 1.684 0.02 . 2 . . . . 81 LEU HB3 . 16610 1 1036 . 1 1 83 83 LEU HD11 H 1 1.013 0.02 . 2 . . . . 81 LEU QD1 . 16610 1 1037 . 1 1 83 83 LEU HD12 H 1 1.013 0.02 . 2 . . . . 81 LEU QD1 . 16610 1 1038 . 1 1 83 83 LEU HD13 H 1 1.013 0.02 . 2 . . . . 81 LEU QD1 . 16610 1 1039 . 1 1 83 83 LEU HD21 H 1 0.945 0.02 . 2 . . . . 81 LEU QD2 . 16610 1 1040 . 1 1 83 83 LEU HD22 H 1 0.945 0.02 . 2 . . . . 81 LEU QD2 . 16610 1 1041 . 1 1 83 83 LEU HD23 H 1 0.945 0.02 . 2 . . . . 81 LEU QD2 . 16610 1 1042 . 1 1 83 83 LEU HG H 1 1.678 0.02 . 1 . . . . 81 LEU HG . 16610 1 1043 . 1 1 83 83 LEU C C 13 177.477 0.1 . 1 . . . . 81 LEU C . 16610 1 1044 . 1 1 83 83 LEU CA C 13 55.453 0.1 . 1 . . . . 81 LEU CA . 16610 1 1045 . 1 1 83 83 LEU CB C 13 42.661 0.1 . 1 . . . . 81 LEU CB . 16610 1 1046 . 1 1 83 83 LEU CD1 C 13 25.297 0.1 . 1 . . . . 81 LEU CD1 . 16610 1 1047 . 1 1 83 83 LEU CD2 C 13 23.844 0.1 . 1 . . . . 81 LEU CD2 . 16610 1 1048 . 1 1 83 83 LEU CG C 13 27.185 0.1 . 1 . . . . 81 LEU CG . 16610 1 1049 . 1 1 83 83 LEU N N 15 122.496 0.1 . 1 . . . . 81 LEU N . 16610 1 1050 . 1 1 84 84 GLU H H 1 8.285 0.02 . 1 . . . . 82 GLU H . 16610 1 1051 . 1 1 84 84 GLU HA H 1 4.338 0.02 . 1 . . . . 82 GLU HA . 16610 1 1052 . 1 1 84 84 GLU HB2 H 1 2.081 0.02 . 2 . . . . 82 GLU HB2 . 16610 1 1053 . 1 1 84 84 GLU HB3 H 1 2.081 0.02 . 2 . . . . 82 GLU HB3 . 16610 1 1054 . 1 1 84 84 GLU HG2 H 1 2.342 0.02 . 2 . . . . 82 GLU HG2 . 16610 1 1055 . 1 1 84 84 GLU HG3 H 1 2.342 0.02 . 2 . . . . 82 GLU HG3 . 16610 1 1056 . 1 1 84 84 GLU C C 13 176.689 0.1 . 1 . . . . 82 GLU C . 16610 1 1057 . 1 1 84 84 GLU CA C 13 56.987 0.1 . 1 . . . . 82 GLU CA . 16610 1 1058 . 1 1 84 84 GLU CB C 13 30.547 0.1 . 1 . . . . 82 GLU CB . 16610 1 1059 . 1 1 84 84 GLU CG C 13 36.553 0.1 . 1 . . . . 82 GLU CG . 16610 1 1060 . 1 1 84 84 GLU N N 15 121.725 0.1 . 1 . . . . 82 GLU N . 16610 1 1061 . 1 1 85 85 LYS H H 1 8.304 0.02 . 1 . . . . 83 LYS H . 16610 1 1062 . 1 1 85 85 LYS HA H 1 4.338 0.02 . 1 . . . . 83 LYS HA . 16610 1 1063 . 1 1 85 85 LYS HB2 H 1 1.877 0.02 . 2 . . . . 83 LYS HB2 . 16610 1 1064 . 1 1 85 85 LYS HB3 H 1 1.877 0.02 . 2 . . . . 83 LYS HB3 . 16610 1 1065 . 1 1 85 85 LYS HD2 H 1 1.767 0.02 . 2 . . . . 83 LYS HD2 . 16610 1 1066 . 1 1 85 85 LYS HD3 H 1 1.767 0.02 . 2 . . . . 83 LYS HD3 . 16610 1 1067 . 1 1 85 85 LYS HE2 H 1 3.069 0.02 . 2 . . . . 83 LYS HE2 . 16610 1 1068 . 1 1 85 85 LYS HE3 H 1 3.069 0.02 . 2 . . . . 83 LYS HE3 . 16610 1 1069 . 1 1 85 85 LYS HG2 H 1 1.493 0.02 . 2 . . . . 83 LYS HG2 . 16610 1 1070 . 1 1 85 85 LYS HG3 H 1 1.493 0.02 . 2 . . . . 83 LYS HG3 . 16610 1 1071 . 1 1 85 85 LYS C C 13 176.406 0.1 . 1 . . . . 83 LYS C . 16610 1 1072 . 1 1 85 85 LYS CA C 13 56.866 0.1 . 1 . . . . 83 LYS CA . 16610 1 1073 . 1 1 85 85 LYS CB C 13 33.400 0.1 . 1 . . . . 83 LYS CB . 16610 1 1074 . 1 1 85 85 LYS CD C 13 29.426 0.1 . 1 . . . . 83 LYS CD . 16610 1 1075 . 1 1 85 85 LYS CE C 13 42.884 0.1 . 1 . . . . 83 LYS CE . 16610 1 1076 . 1 1 85 85 LYS CG C 13 24.848 0.1 . 1 . . . . 83 LYS CG . 16610 1 1077 . 1 1 85 85 LYS N N 15 120.954 0.1 . 1 . . . . 83 LYS N . 16610 1 1078 . 1 1 86 86 ASP H H 1 8.383 0.02 . 1 . . . . 84 ASP H . 16610 1 1079 . 1 1 86 86 ASP HA H 1 4.654 0.02 . 1 . . . . 84 ASP HA . 16610 1 1080 . 1 1 86 86 ASP HB2 H 1 2.792 0.02 . 2 . . . . 84 ASP HB2 . 16610 1 1081 . 1 1 86 86 ASP HB3 H 1 2.718 0.02 . 2 . . . . 84 ASP HB3 . 16610 1 1082 . 1 1 86 86 ASP C C 13 176.194 0.1 . 1 . . . . 84 ASP C . 16610 1 1083 . 1 1 86 86 ASP CA C 13 54.723 0.1 . 1 . . . . 84 ASP CA . 16610 1 1084 . 1 1 86 86 ASP CB C 13 41.475 0.1 . 1 . . . . 84 ASP CB . 16610 1 1085 . 1 1 86 86 ASP N N 15 121.211 0.1 . 1 . . . . 84 ASP N . 16610 1 1086 . 1 1 87 87 ALA H H 1 8.287 0.02 . 1 . . . . 85 ALA H . 16610 1 1087 . 1 1 87 87 ALA HA H 1 4.421 0.02 . 1 . . . . 85 ALA HA . 16610 1 1088 . 1 1 87 87 ALA HB1 H 1 1.481 0.02 . 1 . . . . 85 ALA QB . 16610 1 1089 . 1 1 87 87 ALA HB2 H 1 1.481 0.02 . 1 . . . . 85 ALA QB . 16610 1 1090 . 1 1 87 87 ALA HB3 H 1 1.481 0.02 . 1 . . . . 85 ALA QB . 16610 1 1091 . 1 1 87 87 ALA C C 13 178.184 0.1 . 1 . . . . 85 ALA C . 16610 1 1092 . 1 1 87 87 ALA CA C 13 53.148 0.1 . 1 . . . . 85 ALA CA . 16610 1 1093 . 1 1 87 87 ALA CB C 13 19.559 0.1 . 1 . . . . 85 ALA CB . 16610 1 1094 . 1 1 87 87 ALA N N 15 124.552 0.1 . 1 . . . . 85 ALA N . 16610 1 1095 . 1 1 88 88 THR H H 1 8.233 0.02 . 1 . . . . 86 THR H . 16610 1 1096 . 1 1 88 88 THR HA H 1 4.330 0.02 . 1 . . . . 86 THR HA . 16610 1 1097 . 1 1 88 88 THR HB H 1 4.301 0.02 . 1 . . . . 86 THR HB . 16610 1 1098 . 1 1 88 88 THR HG21 H 1 1.295 0.02 . 1 . . . . 86 THR QG2 . 16610 1 1099 . 1 1 88 88 THR HG22 H 1 1.295 0.02 . 1 . . . . 86 THR QG2 . 16610 1 1100 . 1 1 88 88 THR HG23 H 1 1.295 0.02 . 1 . . . . 86 THR QG2 . 16610 1 1101 . 1 1 88 88 THR C C 13 174.892 0.1 . 1 . . . . 86 THR C . 16610 1 1102 . 1 1 88 88 THR CA C 13 62.686 0.1 . 1 . . . . 86 THR CA . 16610 1 1103 . 1 1 88 88 THR CB C 13 70.014 0.1 . 1 . . . . 86 THR CB . 16610 1 1104 . 1 1 88 88 THR CG2 C 13 21.657 0.1 . 1 . . . . 86 THR CG2 . 16610 1 1105 . 1 1 88 88 THR N N 15 112.692 0.1 . 1 . . . . 86 THR N . 16610 1 1106 . 1 1 89 89 GLU H H 1 8.357 0.02 . 1 . . . . 87 GLU H . 16610 1 1107 . 1 1 89 89 GLU HA H 1 4.386 0.02 . 1 . . . . 87 GLU HA . 16610 1 1108 . 1 1 89 89 GLU HB2 H 1 2.117 0.02 . 2 . . . . 87 GLU HB2 . 16610 1 1109 . 1 1 89 89 GLU HB3 H 1 2.057 0.02 . 2 . . . . 87 GLU HB3 . 16610 1 1110 . 1 1 89 89 GLU HG2 H 1 2.319 0.02 . 2 . . . . 87 GLU HG2 . 16610 1 1111 . 1 1 89 89 GLU HG3 H 1 2.319 0.02 . 2 . . . . 87 GLU HG3 . 16610 1 1112 . 1 1 89 89 GLU C C 13 176.790 0.1 . 1 . . . . 87 GLU C . 16610 1 1113 . 1 1 89 89 GLU CA C 13 57.047 0.1 . 1 . . . . 87 GLU CA . 16610 1 1114 . 1 1 89 89 GLU CB C 13 30.406 0.1 . 1 . . . . 87 GLU CB . 16610 1 1115 . 1 1 89 89 GLU CG C 13 36.641 0.1 . 1 . . . . 87 GLU CG . 16610 1 1116 . 1 1 89 89 GLU N N 15 123.037 0.1 . 1 . . . . 87 GLU N . 16610 1 1117 . 1 1 90 90 VAL H H 1 8.156 0.02 . 1 . . . . 88 VAL H . 16610 1 1118 . 1 1 90 90 VAL HA H 1 4.134 0.02 . 1 . . . . 88 VAL HA . 16610 1 1119 . 1 1 90 90 VAL HB H 1 2.162 0.02 . 1 . . . . 88 VAL HB . 16610 1 1120 . 1 1 90 90 VAL HG11 H 1 1.024 0.02 . 2 . . . . 88 VAL QG1 . 16610 1 1121 . 1 1 90 90 VAL HG12 H 1 1.024 0.02 . 2 . . . . 88 VAL QG1 . 16610 1 1122 . 1 1 90 90 VAL HG13 H 1 1.024 0.02 . 2 . . . . 88 VAL QG1 . 16610 1 1123 . 1 1 90 90 VAL HG21 H 1 1.013 0.02 . 2 . . . . 88 VAL QG2 . 16610 1 1124 . 1 1 90 90 VAL HG22 H 1 1.013 0.02 . 2 . . . . 88 VAL QG2 . 16610 1 1125 . 1 1 90 90 VAL HG23 H 1 1.013 0.02 . 2 . . . . 88 VAL QG2 . 16610 1 1126 . 1 1 90 90 VAL C C 13 177.033 0.1 . 1 . . . . 88 VAL C . 16610 1 1127 . 1 1 90 90 VAL CA C 13 63.267 0.1 . 1 . . . . 88 VAL CA . 16610 1 1128 . 1 1 90 90 VAL CB C 13 32.801 0.1 . 1 . . . . 88 VAL CB . 16610 1 1129 . 1 1 90 90 VAL CG1 C 13 21.165 0.1 . 1 . . . . 88 VAL CG1 . 16610 1 1130 . 1 1 90 90 VAL CG2 C 13 20.954 0.1 . 1 . . . . 88 VAL CG2 . 16610 1 1131 . 1 1 90 90 VAL N N 15 120.697 0.1 . 1 . . . . 88 VAL N . 16610 1 1132 . 1 1 91 91 GLY H H 1 8.436 0.02 . 1 . . . . 89 GLY H . 16610 1 1133 . 1 1 91 91 GLY HA2 H 1 4.033 0.02 . 2 . . . . 89 GLY HA2 . 16610 1 1134 . 1 1 91 91 GLY HA3 H 1 4.033 0.02 . 2 . . . . 89 GLY HA3 . 16610 1 1135 . 1 1 91 91 GLY C C 13 174.589 0.1 . 1 . . . . 89 GLY C . 16610 1 1136 . 1 1 91 91 GLY CA C 13 45.708 0.1 . 1 . . . . 89 GLY CA . 16610 1 1137 . 1 1 91 91 GLY N N 15 111.588 0.1 . 1 . . . . 89 GLY N . 16610 1 1138 . 1 1 92 92 VAL H H 1 7.996 0.02 . 1 . . . . 90 VAL H . 16610 1 1139 . 1 1 92 92 VAL HA H 1 4.097 0.02 . 1 . . . . 90 VAL HA . 16610 1 1140 . 1 1 92 92 VAL HB H 1 2.153 0.02 . 1 . . . . 90 VAL HB . 16610 1 1141 . 1 1 92 92 VAL HG11 H 1 1.035 0.02 . 2 . . . . 90 VAL QG1 . 16610 1 1142 . 1 1 92 92 VAL HG12 H 1 1.035 0.02 . 2 . . . . 90 VAL QG1 . 16610 1 1143 . 1 1 92 92 VAL HG13 H 1 1.035 0.02 . 2 . . . . 90 VAL QG1 . 16610 1 1144 . 1 1 92 92 VAL HG21 H 1 1.028 0.02 . 2 . . . . 90 VAL QG2 . 16610 1 1145 . 1 1 92 92 VAL HG22 H 1 1.028 0.02 . 2 . . . . 90 VAL QG2 . 16610 1 1146 . 1 1 92 92 VAL HG23 H 1 1.028 0.02 . 2 . . . . 90 VAL QG2 . 16610 1 1147 . 1 1 92 92 VAL C C 13 176.669 0.1 . 1 . . . . 90 VAL C . 16610 1 1148 . 1 1 92 92 VAL CA C 13 63.213 0.1 . 1 . . . . 90 VAL CA . 16610 1 1149 . 1 1 92 92 VAL CB C 13 32.801 0.1 . 1 . . . . 90 VAL CB . 16610 1 1150 . 1 1 92 92 VAL CG1 C 13 21.086 0.1 . 1 . . . . 90 VAL CG1 . 16610 1 1151 . 1 1 92 92 VAL CG2 C 13 21.241 0.1 . 1 . . . . 90 VAL CG2 . 16610 1 1152 . 1 1 92 92 VAL N N 15 120.161 0.1 . 1 . . . . 90 VAL N . 16610 1 1153 . 1 1 93 93 LYS H H 1 8.367 0.02 . 1 . . . . 91 LYS H . 16610 1 1154 . 1 1 93 93 LYS HA H 1 4.314 0.02 . 1 . . . . 91 LYS HA . 16610 1 1155 . 1 1 93 93 LYS HB2 H 1 1.889 0.02 . 2 . . . . 91 LYS HB2 . 16610 1 1156 . 1 1 93 93 LYS HB3 H 1 1.889 0.02 . 2 . . . . 91 LYS HB3 . 16610 1 1157 . 1 1 93 93 LYS HD2 H 1 1.805 0.02 . 2 . . . . 91 LYS HD2 . 16610 1 1158 . 1 1 93 93 LYS HD3 H 1 1.805 0.02 . 2 . . . . 91 LYS HD3 . 16610 1 1159 . 1 1 93 93 LYS HE2 H 1 3.058 0.02 . 2 . . . . 91 LYS HE2 . 16610 1 1160 . 1 1 93 93 LYS HE3 H 1 3.058 0.02 . 2 . . . . 91 LYS HE3 . 16610 1 1161 . 1 1 93 93 LYS HG2 H 1 1.495 0.02 . 2 . . . . 91 LYS HG2 . 16610 1 1162 . 1 1 93 93 LYS HG3 H 1 1.495 0.02 . 2 . . . . 91 LYS HG3 . 16610 1 1163 . 1 1 93 93 LYS C C 13 176.809 0.1 . 1 . . . . 91 LYS C . 16610 1 1164 . 1 1 93 93 LYS CA C 13 57.109 0.1 . 1 . . . . 91 LYS CA . 16610 1 1165 . 1 1 93 93 LYS CB C 13 33.000 0.1 . 1 . . . . 91 LYS CB . 16610 1 1166 . 1 1 93 93 LYS CD C 13 29.565 0.1 . 1 . . . . 91 LYS CD . 16610 1 1167 . 1 1 93 93 LYS CE C 13 41.657 0.1 . 1 . . . . 91 LYS CE . 16610 1 1168 . 1 1 93 93 LYS CG C 13 25.125 0.1 . 1 . . . . 91 LYS CG . 16610 1 1169 . 1 1 93 93 LYS N N 15 123.523 0.1 . 1 . . . . 91 LYS N . 16610 1 1170 . 1 1 94 94 ALA H H 1 8.287 0.02 . 1 . . . . 92 ALA H . 16610 1 1171 . 1 1 94 94 ALA HA H 1 4.346 0.02 . 1 . . . . 92 ALA HA . 16610 1 1172 . 1 1 94 94 ALA HB1 H 1 1.469 0.02 . 1 . . . . 92 ALA QB . 16610 1 1173 . 1 1 94 94 ALA HB2 H 1 1.469 0.02 . 1 . . . . 92 ALA QB . 16610 1 1174 . 1 1 94 94 ALA HB3 H 1 1.469 0.02 . 1 . . . . 92 ALA QB . 16610 1 1175 . 1 1 94 94 ALA C C 13 178.043 0.1 . 1 . . . . 92 ALA C . 16610 1 1176 . 1 1 94 94 ALA CA C 13 53.200 0.1 . 1 . . . . 92 ALA CA . 16610 1 1177 . 1 1 94 94 ALA CB C 13 19.278 0.1 . 1 . . . . 92 ALA CB . 16610 1 1178 . 1 1 94 94 ALA N N 15 124.808 0.1 . 1 . . . . 92 ALA N . 16610 1 1179 . 1 1 95 95 ALA H H 1 8.203 0.02 . 1 . . . . 93 ALA H . 16610 1 1180 . 1 1 95 95 ALA HA H 1 4.322 0.02 . 1 . . . . 93 ALA HA . 16610 1 1181 . 1 1 95 95 ALA HB1 H 1 1.468 0.02 . 1 . . . . 93 ALA QB . 16610 1 1182 . 1 1 95 95 ALA HB2 H 1 1.468 0.02 . 1 . . . . 93 ALA QB . 16610 1 1183 . 1 1 95 95 ALA HB3 H 1 1.468 0.02 . 1 . . . . 93 ALA QB . 16610 1 1184 . 1 1 95 95 ALA C C 13 178.527 0.1 . 1 . . . . 93 ALA C . 16610 1 1185 . 1 1 95 95 ALA CA C 13 53.229 0.1 . 1 . . . . 93 ALA CA . 16610 1 1186 . 1 1 95 95 ALA CB C 13 19.137 0.1 . 1 . . . . 93 ALA CB . 16610 1 1187 . 1 1 95 95 ALA N N 15 122.797 0.1 . 1 . . . . 93 ALA N . 16610 1 1188 . 1 1 96 96 LEU H H 1 8.173 0.02 . 1 . . . . 94 LEU H . 16610 1 1189 . 1 1 96 96 LEU HA H 1 4.338 0.02 . 1 . . . . 94 LEU HA . 16610 1 1190 . 1 1 96 96 LEU HB2 H 1 1.685 0.02 . 2 . . . . 94 LEU HB2 . 16610 1 1191 . 1 1 96 96 LEU HB3 H 1 1.685 0.02 . 2 . . . . 94 LEU HB3 . 16610 1 1192 . 1 1 96 96 LEU HD11 H 1 0.992 0.02 . 2 . . . . 94 LEU QD1 . 16610 1 1193 . 1 1 96 96 LEU HD12 H 1 0.992 0.02 . 2 . . . . 94 LEU QD1 . 16610 1 1194 . 1 1 96 96 LEU HD13 H 1 0.992 0.02 . 2 . . . . 94 LEU QD1 . 16610 1 1195 . 1 1 96 96 LEU HD21 H 1 0.917 0.02 . 2 . . . . 94 LEU QD2 . 16610 1 1196 . 1 1 96 96 LEU HD22 H 1 0.917 0.02 . 2 . . . . 94 LEU QD2 . 16610 1 1197 . 1 1 96 96 LEU HD23 H 1 0.917 0.02 . 2 . . . . 94 LEU QD2 . 16610 1 1198 . 1 1 96 96 LEU HG H 1 1.773 0.02 . 1 . . . . 94 LEU HG . 16610 1 1199 . 1 1 96 96 LEU C C 13 178.083 0.1 . 1 . . . . 94 LEU C . 16610 1 1200 . 1 1 96 96 LEU CA C 13 56.078 0.1 . 1 . . . . 94 LEU CA . 16610 1 1201 . 1 1 96 96 LEU CB C 13 42.379 0.1 . 1 . . . . 94 LEU CB . 16610 1 1202 . 1 1 96 96 LEU CD1 C 13 25.125 0.1 . 1 . . . . 94 LEU CD1 . 16610 1 1203 . 1 1 96 96 LEU CD2 C 13 23.877 0.1 . 1 . . . . 94 LEU CD2 . 16610 1 1204 . 1 1 96 96 LEU CG C 13 27.206 0.1 . 1 . . . . 94 LEU CG . 16610 1 1205 . 1 1 96 96 LEU N N 15 120.931 0.1 . 1 . . . . 94 LEU N . 16610 1 1206 . 1 1 97 97 GLU H H 1 8.304 0.02 . 1 . . . . 95 GLU H . 16610 1 1207 . 1 1 97 97 GLU HA H 1 4.290 0.02 . 1 . . . . 95 GLU HA . 16610 1 1208 . 1 1 97 97 GLU HB2 H 1 2.105 0.02 . 2 . . . . 95 GLU HB2 . 16610 1 1209 . 1 1 97 97 GLU HB3 H 1 2.105 0.02 . 2 . . . . 95 GLU HB3 . 16610 1 1210 . 1 1 97 97 GLU HG2 H 1 2.342 0.02 . 2 . . . . 95 GLU HG2 . 16610 1 1211 . 1 1 97 97 GLU HG3 H 1 2.342 0.02 . 2 . . . . 95 GLU HG3 . 16610 1 1212 . 1 1 97 97 GLU C C 13 177.376 0.1 . 1 . . . . 95 GLU C . 16610 1 1213 . 1 1 97 97 GLU CA C 13 57.360 0.1 . 1 . . . . 95 GLU CA . 16610 1 1214 . 1 1 97 97 GLU CB C 13 30.265 0.1 . 1 . . . . 95 GLU CB . 16610 1 1215 . 1 1 97 97 GLU CG C 13 36.641 0.1 . 1 . . . . 95 GLU CG . 16610 1 1216 . 1 1 97 97 GLU N N 15 120.846 0.1 . 1 . . . . 95 GLU N . 16610 1 1217 . 1 1 98 98 GLU H H 1 8.343 0.02 . 1 . . . . 96 GLU H . 16610 1 1218 . 1 1 98 98 GLU HA H 1 4.254 0.02 . 1 . . . . 96 GLU HA . 16610 1 1219 . 1 1 98 98 GLU HB2 H 1 2.105 0.02 . 2 . . . . 96 GLU HB2 . 16610 1 1220 . 1 1 98 98 GLU HB3 H 1 2.105 0.02 . 2 . . . . 96 GLU HB3 . 16610 1 1221 . 1 1 98 98 GLU HG2 H 1 2.341 0.02 . 2 . . . . 96 GLU HG2 . 16610 1 1222 . 1 1 98 98 GLU HG3 H 1 2.341 0.02 . 2 . . . . 96 GLU HG3 . 16610 1 1223 . 1 1 98 98 GLU C C 13 176.952 0.1 . 1 . . . . 96 GLU C . 16610 1 1224 . 1 1 98 98 GLU CA C 13 57.550 0.1 . 1 . . . . 96 GLU CA . 16610 1 1225 . 1 1 98 98 GLU CB C 13 30.406 0.1 . 1 . . . . 96 GLU CB . 16610 1 1226 . 1 1 98 98 GLU CG C 13 36.502 0.1 . 1 . . . . 96 GLU CG . 16610 1 1227 . 1 1 98 98 GLU N N 15 121.725 0.1 . 1 . . . . 96 GLU N . 16610 1 1228 . 1 1 99 99 ALA H H 1 8.203 0.02 . 1 . . . . 97 ALA H . 16610 1 1229 . 1 1 99 99 ALA HA H 1 4.314 0.02 . 1 . . . . 97 ALA HA . 16610 1 1230 . 1 1 99 99 ALA HB1 H 1 1.468 0.02 . 1 . . . . 97 ALA QB . 16610 1 1231 . 1 1 99 99 ALA HB2 H 1 1.468 0.02 . 1 . . . . 97 ALA QB . 16610 1 1232 . 1 1 99 99 ALA HB3 H 1 1.468 0.02 . 1 . . . . 97 ALA QB . 16610 1 1233 . 1 1 99 99 ALA C C 13 178.265 0.1 . 1 . . . . 97 ALA C . 16610 1 1234 . 1 1 99 99 ALA CA C 13 53.228 0.1 . 1 . . . . 97 ALA CA . 16610 1 1235 . 1 1 99 99 ALA CB C 13 19.137 0.1 . 1 . . . . 97 ALA CB . 16610 1 1236 . 1 1 99 99 ALA N N 15 123.717 0.1 . 1 . . . . 97 ALA N . 16610 1 1237 . 1 1 100 100 LYS H H 1 8.128 0.02 . 1 . . . . 98 LYS H . 16610 1 1238 . 1 1 100 100 LYS HA H 1 4.314 0.02 . 1 . . . . 98 LYS HA . 16610 1 1239 . 1 1 100 100 LYS HB2 H 1 1.889 0.02 . 2 . . . . 98 LYS HB2 . 16610 1 1240 . 1 1 100 100 LYS HB3 H 1 1.889 0.02 . 2 . . . . 98 LYS HB3 . 16610 1 1241 . 1 1 100 100 LYS HD2 H 1 1.773 0.02 . 2 . . . . 98 LYS HD2 . 16610 1 1242 . 1 1 100 100 LYS HD3 H 1 1.773 0.02 . 2 . . . . 98 LYS HD3 . 16610 1 1243 . 1 1 100 100 LYS HE2 H 1 3.047 0.02 . 2 . . . . 98 LYS HE2 . 16610 1 1244 . 1 1 100 100 LYS HE3 H 1 3.047 0.02 . 2 . . . . 98 LYS HE3 . 16610 1 1245 . 1 1 100 100 LYS HG2 H 1 1.527 0.02 . 2 . . . . 98 LYS HG2 . 16610 1 1246 . 1 1 100 100 LYS HG3 H 1 1.527 0.02 . 2 . . . . 98 LYS HG3 . 16610 1 1247 . 1 1 100 100 LYS C C 13 176.891 0.1 . 1 . . . . 98 LYS C . 16610 1 1248 . 1 1 100 100 LYS CA C 13 56.967 0.1 . 1 . . . . 98 LYS CA . 16610 1 1249 . 1 1 100 100 LYS CB C 13 33.082 0.1 . 1 . . . . 98 LYS CB . 16610 1 1250 . 1 1 100 100 LYS CD C 13 29.426 0.1 . 1 . . . . 98 LYS CD . 16610 1 1251 . 1 1 100 100 LYS CE C 13 42.884 0.1 . 1 . . . . 98 LYS CE . 16610 1 1252 . 1 1 100 100 LYS CG C 13 25.264 0.1 . 1 . . . . 98 LYS CG . 16610 1 1253 . 1 1 100 100 LYS N N 15 119.496 0.1 . 1 . . . . 98 LYS N . 16610 1 1254 . 1 1 101 101 LYS H H 1 8.138 0.02 . 1 . . . . 99 LYS H . 16610 1 1255 . 1 1 101 101 LYS HA H 1 4.362 0.02 . 1 . . . . 99 LYS HA . 16610 1 1256 . 1 1 101 101 LYS HB2 H 1 1.901 0.02 . 2 . . . . 99 LYS HB2 . 16610 1 1257 . 1 1 101 101 LYS HB3 H 1 1.901 0.02 . 2 . . . . 99 LYS HB3 . 16610 1 1258 . 1 1 101 101 LYS HD2 H 1 1.784 0.02 . 2 . . . . 99 LYS HD2 . 16610 1 1259 . 1 1 101 101 LYS HD3 H 1 1.784 0.02 . 2 . . . . 99 LYS HD3 . 16610 1 1260 . 1 1 101 101 LYS HE2 H 1 3.036 0.02 . 2 . . . . 99 LYS HE2 . 16610 1 1261 . 1 1 101 101 LYS HE3 H 1 3.036 0.02 . 2 . . . . 99 LYS HE3 . 16610 1 1262 . 1 1 101 101 LYS HG2 H 1 1.495 0.02 . 2 . . . . 99 LYS HG2 . 16610 1 1263 . 1 1 101 101 LYS HG3 H 1 1.495 0.02 . 2 . . . . 99 LYS HG3 . 16610 1 1264 . 1 1 101 101 LYS C C 13 176.790 0.1 . 1 . . . . 99 LYS C . 16610 1 1265 . 1 1 101 101 LYS CA C 13 56.928 0.1 . 1 . . . . 99 LYS CA . 16610 1 1266 . 1 1 101 101 LYS CB C 13 33.082 0.1 . 1 . . . . 99 LYS CB . 16610 1 1267 . 1 1 101 101 LYS CD C 13 29.565 0.1 . 1 . . . . 99 LYS CD . 16610 1 1268 . 1 1 101 101 LYS CE C 13 42.607 0.1 . 1 . . . . 99 LYS CE . 16610 1 1269 . 1 1 101 101 LYS CG C 13 25.125 0.1 . 1 . . . . 99 LYS CG . 16610 1 1270 . 1 1 101 101 LYS N N 15 121.880 0.1 . 1 . . . . 99 LYS N . 16610 1 1271 . 1 1 102 102 VAL H H 1 8.079 0.02 . 1 . . . . 100 VAL H . 16610 1 1272 . 1 1 102 102 VAL HA H 1 4.134 0.02 . 1 . . . . 100 VAL HA . 16610 1 1273 . 1 1 102 102 VAL HB H 1 2.153 0.02 . 1 . . . . 100 VAL HB . 16610 1 1274 . 1 1 102 102 VAL HG11 H 1 1.017 0.02 . 2 . . . . 100 VAL QG1 . 16610 1 1275 . 1 1 102 102 VAL HG12 H 1 1.017 0.02 . 2 . . . . 100 VAL QG1 . 16610 1 1276 . 1 1 102 102 VAL HG13 H 1 1.017 0.02 . 2 . . . . 100 VAL QG1 . 16610 1 1277 . 1 1 102 102 VAL HG21 H 1 0.949 0.02 . 2 . . . . 100 VAL QG2 . 16610 1 1278 . 1 1 102 102 VAL HG22 H 1 0.949 0.02 . 2 . . . . 100 VAL QG2 . 16610 1 1279 . 1 1 102 102 VAL HG23 H 1 0.949 0.02 . 2 . . . . 100 VAL QG2 . 16610 1 1280 . 1 1 102 102 VAL C C 13 176.083 0.1 . 1 . . . . 100 VAL C . 16610 1 1281 . 1 1 102 102 VAL CA C 13 62.748 0.1 . 1 . . . . 100 VAL CA . 16610 1 1282 . 1 1 102 102 VAL CB C 13 32.801 0.1 . 1 . . . . 100 VAL CB . 16610 1 1283 . 1 1 102 102 VAL CG1 C 13 20.408 0.1 . 1 . . . . 100 VAL CG1 . 16610 1 1284 . 1 1 102 102 VAL CG2 C 13 21.379 0.1 . 1 . . . . 100 VAL CG2 . 16610 1 1285 . 1 1 102 102 VAL N N 15 120.634 0.1 . 1 . . . . 100 VAL N . 16610 1 1286 . 1 1 103 103 GLN H H 1 8.385 0.02 . 1 . . . . 101 GLN H . 16610 1 1287 . 1 1 103 103 GLN HA H 1 4.408 0.02 . 1 . . . . 101 GLN HA . 16610 1 1288 . 1 1 103 103 GLN HB2 H 1 2.156 0.02 . 2 . . . . 101 GLN HB2 . 16610 1 1289 . 1 1 103 103 GLN HB3 H 1 2.066 0.02 . 2 . . . . 101 GLN HB3 . 16610 1 1290 . 1 1 103 103 GLN HE21 H 1 7.394 0.02 . 2 . . . . 101 GLN HE21 . 16610 1 1291 . 1 1 103 103 GLN HE22 H 1 6.775 0.02 . 2 . . . . 101 GLN HE22 . 16610 1 1292 . 1 1 103 103 GLN HG2 H 1 2.414 0.02 . 2 . . . . 101 GLN HG2 . 16610 1 1293 . 1 1 103 103 GLN HG3 H 1 2.414 0.02 . 2 . . . . 101 GLN HG3 . 16610 1 1294 . 1 1 103 103 GLN C C 13 175.841 0.1 . 1 . . . . 101 GLN C . 16610 1 1295 . 1 1 103 103 GLN CA C 13 56.039 0.1 . 1 . . . . 101 GLN CA . 16610 1 1296 . 1 1 103 103 GLN CB C 13 29.561 0.1 . 1 . . . . 101 GLN CB . 16610 1 1297 . 1 1 103 103 GLN CG C 13 34.005 0.1 . 1 . . . . 101 GLN CG . 16610 1 1298 . 1 1 103 103 GLN N N 15 123.975 0.1 . 1 . . . . 101 GLN N . 16610 1 1299 . 1 1 103 103 GLN NE2 N 15 111.192 0.1 . 1 . . . . 101 GLN NE2 . 16610 1 1300 . 1 1 104 104 ILE H H 1 8.214 0.02 . 1 . . . . 102 ILE H . 16610 1 1301 . 1 1 104 104 ILE HA H 1 4.209 0.02 . 1 . . . . 102 ILE HA . 16610 1 1302 . 1 1 104 104 ILE HB H 1 1.918 0.02 . 1 . . . . 102 ILE HB . 16610 1 1303 . 1 1 104 104 ILE HD11 H 1 0.919 0.02 . 1 . . . . 102 ILE QD1 . 16610 1 1304 . 1 1 104 104 ILE HD12 H 1 0.919 0.02 . 1 . . . . 102 ILE QD1 . 16610 1 1305 . 1 1 104 104 ILE HD13 H 1 0.919 0.02 . 1 . . . . 102 ILE QD1 . 16610 1 1306 . 1 1 104 104 ILE HG12 H 1 1.532 0.02 . 2 . . . . 102 ILE HG12 . 16610 1 1307 . 1 1 104 104 ILE HG13 H 1 1.245 0.02 . 2 . . . . 102 ILE HG13 . 16610 1 1308 . 1 1 104 104 ILE HG21 H 1 0.964 0.02 . 1 . . . . 102 ILE QG2 . 16610 1 1309 . 1 1 104 104 ILE HG22 H 1 0.964 0.02 . 1 . . . . 102 ILE QG2 . 16610 1 1310 . 1 1 104 104 ILE HG23 H 1 0.964 0.02 . 1 . . . . 102 ILE QG2 . 16610 1 1311 . 1 1 104 104 ILE C C 13 176.245 0.1 . 1 . . . . 102 ILE C . 16610 1 1312 . 1 1 104 104 ILE CA C 13 61.597 0.1 . 1 . . . . 102 ILE CA . 16610 1 1313 . 1 1 104 104 ILE CB C 13 38.999 0.1 . 1 . . . . 102 ILE CB . 16610 1 1314 . 1 1 104 104 ILE CD1 C 13 13.076 0.1 . 1 . . . . 102 ILE CD1 . 16610 1 1315 . 1 1 104 104 ILE CG1 C 13 27.484 0.1 . 1 . . . . 102 ILE CG1 . 16610 1 1316 . 1 1 104 104 ILE CG2 C 13 17.633 0.1 . 1 . . . . 102 ILE CG2 . 16610 1 1317 . 1 1 104 104 ILE N N 15 122.255 0.1 . 1 . . . . 102 ILE N . 16610 1 1318 . 1 1 105 105 GLU H H 1 8.480 0.02 . 1 . . . . 103 GLU H . 16610 1 1319 . 1 1 105 105 GLU HA H 1 4.362 0.02 . 1 . . . . 103 GLU HA . 16610 1 1320 . 1 1 105 105 GLU HB2 H 1 2.069 0.02 . 2 . . . . 103 GLU HB2 . 16610 1 1321 . 1 1 105 105 GLU HB3 H 1 2.069 0.02 . 2 . . . . 103 GLU HB3 . 16610 1 1322 . 1 1 105 105 GLU HG2 H 1 2.319 0.02 . 2 . . . . 103 GLU HG2 . 16610 1 1323 . 1 1 105 105 GLU HG3 H 1 2.319 0.02 . 2 . . . . 103 GLU HG3 . 16610 1 1324 . 1 1 105 105 GLU C C 13 176.366 0.1 . 1 . . . . 103 GLU C . 16610 1 1325 . 1 1 105 105 GLU CA C 13 56.765 0.1 . 1 . . . . 103 GLU CA . 16610 1 1326 . 1 1 105 105 GLU CB C 13 30.547 0.1 . 1 . . . . 103 GLU CB . 16610 1 1327 . 1 1 105 105 GLU CG C 13 36.641 0.1 . 1 . . . . 103 GLU CG . 16610 1 1328 . 1 1 105 105 GLU N N 15 124.435 0.1 . 1 . . . . 103 GLU N . 16610 1 1329 . 1 1 106 106 LEU H H 1 8.261 0.02 . 1 . . . . 104 LEU H . 16610 1 1330 . 1 1 106 106 LEU HA H 1 4.386 0.02 . 1 . . . . 104 LEU HA . 16610 1 1331 . 1 1 106 106 LEU HB2 H 1 1.673 0.02 . 2 . . . . 104 LEU HB2 . 16610 1 1332 . 1 1 106 106 LEU HB3 H 1 1.673 0.02 . 2 . . . . 104 LEU HB3 . 16610 1 1333 . 1 1 106 106 LEU HD11 H 1 0.981 0.02 . 2 . . . . 104 LEU QD1 . 16610 1 1334 . 1 1 106 106 LEU HD12 H 1 0.981 0.02 . 2 . . . . 104 LEU QD1 . 16610 1 1335 . 1 1 106 106 LEU HD13 H 1 0.981 0.02 . 2 . . . . 104 LEU QD1 . 16610 1 1336 . 1 1 106 106 LEU HD21 H 1 0.917 0.02 . 2 . . . . 104 LEU QD2 . 16610 1 1337 . 1 1 106 106 LEU HD22 H 1 0.917 0.02 . 2 . . . . 104 LEU QD2 . 16610 1 1338 . 1 1 106 106 LEU HD23 H 1 0.917 0.02 . 2 . . . . 104 LEU QD2 . 16610 1 1339 . 1 1 106 106 LEU HG H 1 1.431 0.02 . 1 . . . . 104 LEU HG . 16610 1 1340 . 1 1 106 106 LEU C C 13 177.093 0.1 . 1 . . . . 104 LEU C . 16610 1 1341 . 1 1 106 106 LEU CA C 13 55.451 0.1 . 1 . . . . 104 LEU CA . 16610 1 1342 . 1 1 106 106 LEU CB C 13 42.943 0.1 . 1 . . . . 104 LEU CB . 16610 1 1343 . 1 1 106 106 LEU CD1 C 13 25.125 0.1 . 1 . . . . 104 LEU CD1 . 16610 1 1344 . 1 1 106 106 LEU CD2 C 13 24.154 0.1 . 1 . . . . 104 LEU CD2 . 16610 1 1345 . 1 1 106 106 LEU CG C 13 27.068 0.1 . 1 . . . . 104 LEU CG . 16610 1 1346 . 1 1 106 106 LEU N N 15 123.308 0.1 . 1 . . . . 104 LEU N . 16610 1 1347 . 1 1 107 107 ASP H H 1 8.416 0.02 . 1 . . . . 105 ASP H . 16610 1 1348 . 1 1 107 107 ASP HA H 1 4.728 0.02 . 1 . . . . 105 ASP HA . 16610 1 1349 . 1 1 107 107 ASP HB2 H 1 2.845 0.02 . 2 . . . . 105 ASP HB2 . 16610 1 1350 . 1 1 107 107 ASP HB3 H 1 2.724 0.02 . 2 . . . . 105 ASP HB3 . 16610 1 1351 . 1 1 107 107 ASP C C 13 177.012 0.1 . 1 . . . . 105 ASP C . 16610 1 1352 . 1 1 107 107 ASP CA C 13 54.566 0.1 . 1 . . . . 105 ASP CA . 16610 1 1353 . 1 1 107 107 ASP CB C 13 41.252 0.1 . 1 . . . . 105 ASP CB . 16610 1 1354 . 1 1 107 107 ASP N N 15 121.390 0.1 . 1 . . . . 105 ASP N . 16610 1 1355 . 1 1 108 108 THR H H 1 8.229 0.02 . 1 . . . . 106 THR H . 16610 1 1356 . 1 1 108 108 THR HA H 1 4.389 0.02 . 1 . . . . 106 THR HA . 16610 1 1357 . 1 1 108 108 THR HB H 1 4.438 0.02 . 1 . . . . 106 THR HB . 16610 1 1358 . 1 1 108 108 THR HG21 H 1 1.293 0.02 . 1 . . . . 106 THR QG2 . 16610 1 1359 . 1 1 108 108 THR HG22 H 1 1.293 0.02 . 1 . . . . 106 THR QG2 . 16610 1 1360 . 1 1 108 108 THR HG23 H 1 1.293 0.02 . 1 . . . . 106 THR QG2 . 16610 1 1361 . 1 1 108 108 THR C C 13 175.235 0.1 . 1 . . . . 106 THR C . 16610 1 1362 . 1 1 108 108 THR CA C 13 62.403 0.1 . 1 . . . . 106 THR CA . 16610 1 1363 . 1 1 108 108 THR CB C 13 69.848 0.1 . 1 . . . . 106 THR CB . 16610 1 1364 . 1 1 108 108 THR CG2 C 13 21.643 0.1 . 1 . . . . 106 THR CG2 . 16610 1 1365 . 1 1 108 108 THR N N 15 114.916 0.1 . 1 . . . . 106 THR N . 16610 1 1366 . 1 1 109 109 SER H H 1 8.465 0.02 . 1 . . . . 107 SER H . 16610 1 1367 . 1 1 109 109 SER HA H 1 4.445 0.02 . 1 . . . . 107 SER HA . 16610 1 1368 . 1 1 109 109 SER HB2 H 1 3.978 0.02 . 2 . . . . 107 SER HB2 . 16610 1 1369 . 1 1 109 109 SER HB3 H 1 3.978 0.02 . 2 . . . . 107 SER HB3 . 16610 1 1370 . 1 1 109 109 SER C C 13 174.690 0.1 . 1 . . . . 107 SER C . 16610 1 1371 . 1 1 109 109 SER CA C 13 59.494 0.1 . 1 . . . . 107 SER CA . 16610 1 1372 . 1 1 109 109 SER CB C 13 63.791 0.1 . 1 . . . . 107 SER CB . 16610 1 1373 . 1 1 109 109 SER N N 15 118.277 0.1 . 1 . . . . 107 SER N . 16610 1 1374 . 1 1 110 110 LEU H H 1 8.010 0.02 . 1 . . . . 108 LEU H . 16610 1 1375 . 1 1 110 110 LEU HA H 1 4.410 0.02 . 1 . . . . 108 LEU HA . 16610 1 1376 . 1 1 110 110 LEU HB2 H 1 1.673 0.02 . 2 . . . . 108 LEU HB2 . 16610 1 1377 . 1 1 110 110 LEU HB3 H 1 1.552 0.02 . 2 . . . . 108 LEU HB3 . 16610 1 1378 . 1 1 110 110 LEU HD11 H 1 0.970 0.02 . 2 . . . . 108 LEU QD1 . 16610 1 1379 . 1 1 110 110 LEU HD12 H 1 0.970 0.02 . 2 . . . . 108 LEU QD1 . 16610 1 1380 . 1 1 110 110 LEU HD13 H 1 0.970 0.02 . 2 . . . . 108 LEU QD1 . 16610 1 1381 . 1 1 110 110 LEU HD21 H 1 0.895 0.02 . 2 . . . . 108 LEU QD2 . 16610 1 1382 . 1 1 110 110 LEU HD22 H 1 0.895 0.02 . 2 . . . . 108 LEU QD2 . 16610 1 1383 . 1 1 110 110 LEU HD23 H 1 0.895 0.02 . 2 . . . . 108 LEU QD2 . 16610 1 1384 . 1 1 110 110 LEU HG H 1 1.613 0.02 . 1 . . . . 108 LEU HG . 16610 1 1385 . 1 1 110 110 LEU C C 13 177.134 0.1 . 1 . . . . 108 LEU C . 16610 1 1386 . 1 1 110 110 LEU CA C 13 55.348 0.1 . 1 . . . . 108 LEU CA . 16610 1 1387 . 1 1 110 110 LEU CB C 13 42.238 0.1 . 1 . . . . 108 LEU CB . 16610 1 1388 . 1 1 110 110 LEU CD1 C 13 25.359 0.1 . 1 . . . . 108 LEU CD1 . 16610 1 1389 . 1 1 110 110 LEU CD2 C 13 23.570 0.1 . 1 . . . . 108 LEU CD2 . 16610 1 1390 . 1 1 110 110 LEU CG C 13 27.011 0.1 . 1 . . . . 108 LEU CG . 16610 1 1391 . 1 1 110 110 LEU N N 15 122.964 0.1 . 1 . . . . 108 LEU N . 16610 1 1392 . 1 1 111 111 SER H H 1 8.084 0.02 . 1 . . . . 109 SER H . 16610 1 1393 . 1 1 111 111 SER HA H 1 4.458 0.02 . 1 . . . . 109 SER HA . 16610 1 1394 . 1 1 111 111 SER HB2 H 1 3.833 0.02 . 2 . . . . 109 SER HB2 . 16610 1 1395 . 1 1 111 111 SER HB3 H 1 3.833 0.02 . 2 . . . . 109 SER HB3 . 16610 1 1396 . 1 1 111 111 SER C C 13 174.023 0.1 . 1 . . . . 109 SER C . 16610 1 1397 . 1 1 111 111 SER CA C 13 58.463 0.1 . 1 . . . . 109 SER CA . 16610 1 1398 . 1 1 111 111 SER CB C 13 64.514 0.1 . 1 . . . . 109 SER CB . 16610 1 1399 . 1 1 111 111 SER N N 15 115.490 0.1 . 1 . . . . 109 SER N . 16610 1 1400 . 1 1 112 112 TYR H H 1 8.117 0.02 . 1 . . . . 110 TYR H . 16610 1 1401 . 1 1 112 112 TYR HA H 1 4.709 0.02 . 1 . . . . 110 TYR HA . 16610 1 1402 . 1 1 112 112 TYR HB2 H 1 3.183 0.02 . 2 . . . . 110 TYR HB2 . 16610 1 1403 . 1 1 112 112 TYR HB3 H 1 3.006 0.02 . 2 . . . . 110 TYR HB3 . 16610 1 1404 . 1 1 112 112 TYR HD1 H 1 7.181 0.02 . 1 . . . . 110 TYR HD1 . 16610 1 1405 . 1 1 112 112 TYR HD2 H 1 7.181 0.02 . 1 . . . . 110 TYR HD2 . 16610 1 1406 . 1 1 112 112 TYR HE1 H 1 6.884 0.02 . 1 . . . . 110 TYR HE1 . 16610 1 1407 . 1 1 112 112 TYR HE2 H 1 6.884 0.02 . 1 . . . . 110 TYR HE2 . 16610 1 1408 . 1 1 112 112 TYR C C 13 174.649 0.1 . 1 . . . . 110 TYR C . 16610 1 1409 . 1 1 112 112 TYR CA C 13 57.880 0.1 . 1 . . . . 110 TYR CA . 16610 1 1410 . 1 1 112 112 TYR CB C 13 38.999 0.1 . 1 . . . . 110 TYR CB . 16610 1 1411 . 1 1 112 112 TYR CD1 C 13 133.341 0.1 . 1 . . . . 110 TYR CD1 . 16610 1 1412 . 1 1 112 112 TYR CE1 C 13 118.329 0.1 . 1 . . . . 110 TYR CE1 . 16610 1 1413 . 1 1 112 112 TYR N N 15 121.880 0.1 . 1 . . . . 110 TYR N . 16610 1 1414 . 1 1 113 113 ILE H H 1 7.535 0.02 . 1 . . . . 111 ILE H . 16610 1 1415 . 1 1 113 113 ILE HA H 1 3.734 0.02 . 1 . . . . 111 ILE HA . 16610 1 1416 . 1 1 113 113 ILE HB H 1 2.043 0.02 . 1 . . . . 111 ILE HB . 16610 1 1417 . 1 1 113 113 ILE HD11 H 1 0.996 0.02 . 1 . . . . 111 ILE QD1 . 16610 1 1418 . 1 1 113 113 ILE HD12 H 1 0.996 0.02 . 1 . . . . 111 ILE QD1 . 16610 1 1419 . 1 1 113 113 ILE HD13 H 1 0.996 0.02 . 1 . . . . 111 ILE QD1 . 16610 1 1420 . 1 1 113 113 ILE HG12 H 1 1.525 0.02 . 2 . . . . 111 ILE HG12 . 16610 1 1421 . 1 1 113 113 ILE HG13 H 1 1.322 0.02 . 2 . . . . 111 ILE HG13 . 16610 1 1422 . 1 1 113 113 ILE HG21 H 1 1.069 0.02 . 1 . . . . 111 ILE QG2 . 16610 1 1423 . 1 1 113 113 ILE HG22 H 1 1.069 0.02 . 1 . . . . 111 ILE QG2 . 16610 1 1424 . 1 1 113 113 ILE HG23 H 1 1.069 0.02 . 1 . . . . 111 ILE QG2 . 16610 1 1425 . 1 1 113 113 ILE C C 13 180.813 0.1 . 1 . . . . 111 ILE C . 16610 1 1426 . 1 1 113 113 ILE CA C 13 62.575 0.1 . 1 . . . . 111 ILE CA . 16610 1 1427 . 1 1 113 113 ILE CB C 13 38.950 0.1 . 1 . . . . 111 ILE CB . 16610 1 1428 . 1 1 113 113 ILE CD1 C 13 14.047 0.1 . 1 . . . . 111 ILE CD1 . 16610 1 1429 . 1 1 113 113 ILE CG1 C 13 27.308 0.1 . 1 . . . . 111 ILE CG1 . 16610 1 1430 . 1 1 113 113 ILE CG2 C 13 17.606 0.1 . 1 . . . . 111 ILE CG2 . 16610 1 1431 . 1 1 113 113 ILE N N 15 125.399 0.1 . 1 . . . . 111 ILE N . 16610 1 stop_ save_