data_15847 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15847 _Entry.Title ; Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-30 _Entry.Accession_date 2008-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuefeng Tang . . . 15847 2 Huang Wang . . . 15847 3 Mei Jiang . . . 15847 4 Melissa Maglaqui . . . 15847 5 Rong Xiao . . . 15847 6 Jinfeng Liu . . . 15847 7 Michael Baran . C. . 15847 8 G.V.T Swapna . . . 15847 9 Thomas Acton . B. . 15847 10 Burkhard Rost . . . 15847 11 Gaetano Montelione . T. . 15847 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15847 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 15847 '15N chemical shifts' 91 15847 '1H chemical shifts' 654 15847 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-02 2008-06-30 update BMRB 'edit assembly name' 15847 1 . . 2008-09-19 2008-06-30 original author 'original release' 15847 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K5R 'BMRB Entry Tracking System' 15847 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15847 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID TBA _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Yuefeng Tang . . . 15847 1 2 Huang Wang . . . 15847 1 3 Mei Jiang . . . 15847 1 4 Melissa Maglaqui . . . 15847 1 5 Rong Xiao . . . 15847 1 6 Jinfeng Liu . . . 15847 1 7 Michael Baran . C. . 15847 1 8 G.V.T Swapna . . . 15847 1 9 Thomas Acton . B. . 15847 1 10 Burkhard Rost . . . 15847 1 11 Gaetano Montelione . T. . 15847 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15847 _Assembly.ID 1 _Assembly.Name XF2673 _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 XF2673 1 $XF2673 A . yes native no no . . . 15847 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XF2673 _Entity.Sf_category entity _Entity.Sf_framecode XF2673 _Entity.Entry_ID 15847 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XF2673 _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 ; MDRKLLHLLCSPDTRQPLSL LESKGLEALNKAIVSGTVQR ADGSIQNQSLHEALITRDRK QVFRIEDSIPVLLPEEAIAT IQIANFPDKLEHHHHHH ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10981.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'residue 90-97 represent a non-native purification tag (LEHHHHHH)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2K5R . "Solution Nmr Structure Of Xf2673 From Xylella Fastidiosa. Northeast Structural Genomics Consortium Target Xfr39" . . . . . 100.00 97 100.00 100.00 4.29e-62 . . . . 15847 1 2 no GB AAF85470 . "hypothetical protein XF_2673 [Xylella fastidiosa 9a5c]" . . . . . 91.75 89 98.88 98.88 3.82e-55 . . . . 15847 1 3 no GB AAO29861 . "conserved hypothetical protein [Xylella fastidiosa Temecula1]" . . . . . 91.75 89 100.00 100.00 8.40e-56 . . . . 15847 1 4 no GB ACA13079 . "conserved hypothetical protein [Xylella fastidiosa M12]" . . . . . 91.75 89 100.00 100.00 8.40e-56 . . . . 15847 1 5 no GB ACB93534 . "protein of unknown function DUF343 [Xylella fastidiosa M23]" . . . . . 91.75 89 100.00 100.00 8.40e-56 . . . . 15847 1 6 no GB ADN62897 . "hypothetical protein XFLM_04675 [Xylella fastidiosa subsp. fastidiosa GB514]" . . . . . 91.75 89 100.00 100.00 8.40e-56 . . . . 15847 1 7 no REF WP_004084759 . "hypothetical protein [Xylella fastidiosa]" . . . . . 91.75 89 100.00 100.00 8.40e-56 . . . . 15847 1 8 no REF WP_010895087 . "hypothetical protein [Xylella fastidiosa]" . . . . . 91.75 89 98.88 98.88 3.82e-55 . . . . 15847 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15847 1 2 . ASP . 15847 1 3 . ARG . 15847 1 4 . LYS . 15847 1 5 . LEU . 15847 1 6 . LEU . 15847 1 7 . HIS . 15847 1 8 . LEU . 15847 1 9 . LEU . 15847 1 10 . CYS . 15847 1 11 . SER . 15847 1 12 . PRO . 15847 1 13 . ASP . 15847 1 14 . THR . 15847 1 15 . ARG . 15847 1 16 . GLN . 15847 1 17 . PRO . 15847 1 18 . LEU . 15847 1 19 . SER . 15847 1 20 . LEU . 15847 1 21 . LEU . 15847 1 22 . GLU . 15847 1 23 . SER . 15847 1 24 . LYS . 15847 1 25 . GLY . 15847 1 26 . LEU . 15847 1 27 . GLU . 15847 1 28 . ALA . 15847 1 29 . LEU . 15847 1 30 . ASN . 15847 1 31 . LYS . 15847 1 32 . ALA . 15847 1 33 . ILE . 15847 1 34 . VAL . 15847 1 35 . SER . 15847 1 36 . GLY . 15847 1 37 . THR . 15847 1 38 . VAL . 15847 1 39 . GLN . 15847 1 40 . ARG . 15847 1 41 . ALA . 15847 1 42 . ASP . 15847 1 43 . GLY . 15847 1 44 . SER . 15847 1 45 . ILE . 15847 1 46 . GLN . 15847 1 47 . ASN . 15847 1 48 . GLN . 15847 1 49 . SER . 15847 1 50 . LEU . 15847 1 51 . HIS . 15847 1 52 . GLU . 15847 1 53 . ALA . 15847 1 54 . LEU . 15847 1 55 . ILE . 15847 1 56 . THR . 15847 1 57 . ARG . 15847 1 58 . ASP . 15847 1 59 . ARG . 15847 1 60 . LYS . 15847 1 61 . GLN . 15847 1 62 . VAL . 15847 1 63 . PHE . 15847 1 64 . ARG . 15847 1 65 . ILE . 15847 1 66 . GLU . 15847 1 67 . ASP . 15847 1 68 . SER . 15847 1 69 . ILE . 15847 1 70 . PRO . 15847 1 71 . VAL . 15847 1 72 . LEU . 15847 1 73 . LEU . 15847 1 74 . PRO . 15847 1 75 . GLU . 15847 1 76 . GLU . 15847 1 77 . ALA . 15847 1 78 . ILE . 15847 1 79 . ALA . 15847 1 80 . THR . 15847 1 81 . ILE . 15847 1 82 . GLN . 15847 1 83 . ILE . 15847 1 84 . ALA . 15847 1 85 . ASN . 15847 1 86 . PHE . 15847 1 87 . PRO . 15847 1 88 . ASP . 15847 1 89 . LYS . 15847 1 90 . LEU . 15847 1 91 . GLU . 15847 1 92 . HIS . 15847 1 93 . HIS . 15847 1 94 . HIS . 15847 1 95 . HIS . 15847 1 96 . HIS . 15847 1 97 . HIS . 15847 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15847 1 . ASP 2 2 15847 1 . ARG 3 3 15847 1 . LYS 4 4 15847 1 . LEU 5 5 15847 1 . LEU 6 6 15847 1 . HIS 7 7 15847 1 . LEU 8 8 15847 1 . LEU 9 9 15847 1 . CYS 10 10 15847 1 . SER 11 11 15847 1 . PRO 12 12 15847 1 . ASP 13 13 15847 1 . THR 14 14 15847 1 . ARG 15 15 15847 1 . GLN 16 16 15847 1 . PRO 17 17 15847 1 . LEU 18 18 15847 1 . SER 19 19 15847 1 . LEU 20 20 15847 1 . LEU 21 21 15847 1 . GLU 22 22 15847 1 . SER 23 23 15847 1 . LYS 24 24 15847 1 . GLY 25 25 15847 1 . LEU 26 26 15847 1 . GLU 27 27 15847 1 . ALA 28 28 15847 1 . LEU 29 29 15847 1 . ASN 30 30 15847 1 . LYS 31 31 15847 1 . ALA 32 32 15847 1 . ILE 33 33 15847 1 . VAL 34 34 15847 1 . SER 35 35 15847 1 . GLY 36 36 15847 1 . THR 37 37 15847 1 . VAL 38 38 15847 1 . GLN 39 39 15847 1 . ARG 40 40 15847 1 . ALA 41 41 15847 1 . ASP 42 42 15847 1 . GLY 43 43 15847 1 . SER 44 44 15847 1 . ILE 45 45 15847 1 . GLN 46 46 15847 1 . ASN 47 47 15847 1 . GLN 48 48 15847 1 . SER 49 49 15847 1 . LEU 50 50 15847 1 . HIS 51 51 15847 1 . GLU 52 52 15847 1 . ALA 53 53 15847 1 . LEU 54 54 15847 1 . ILE 55 55 15847 1 . THR 56 56 15847 1 . ARG 57 57 15847 1 . ASP 58 58 15847 1 . ARG 59 59 15847 1 . LYS 60 60 15847 1 . GLN 61 61 15847 1 . VAL 62 62 15847 1 . PHE 63 63 15847 1 . ARG 64 64 15847 1 . ILE 65 65 15847 1 . GLU 66 66 15847 1 . ASP 67 67 15847 1 . SER 68 68 15847 1 . ILE 69 69 15847 1 . PRO 70 70 15847 1 . VAL 71 71 15847 1 . LEU 72 72 15847 1 . LEU 73 73 15847 1 . PRO 74 74 15847 1 . GLU 75 75 15847 1 . GLU 76 76 15847 1 . ALA 77 77 15847 1 . ILE 78 78 15847 1 . ALA 79 79 15847 1 . THR 80 80 15847 1 . ILE 81 81 15847 1 . GLN 82 82 15847 1 . ILE 83 83 15847 1 . ALA 84 84 15847 1 . ASN 85 85 15847 1 . PHE 86 86 15847 1 . PRO 87 87 15847 1 . ASP 88 88 15847 1 . LYS 89 89 15847 1 . LEU 90 90 15847 1 . GLU 91 91 15847 1 . HIS 92 92 15847 1 . HIS 93 93 15847 1 . HIS 94 94 15847 1 . HIS 95 95 15847 1 . HIS 96 96 15847 1 . HIS 97 97 15847 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 15847 _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 $XF2673 . 2371 'Xylella fastidiosa' . 'Xylella fastidiosa' 'Xylella fastidiosa' . . Bacteria . Xylella fastidiosa . . . . . . . . . . . . . . . . . . . . . 15847 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 15847 _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 $XF2673 . 'recombinant technology' BL21(DE3)+magic . . . . . . . . . . . . . . . . . . . . . XfR39-21.3 . . . 'C-terminal tag LEHHHHHH. The protein is a monomer by gel filtration chromatography and static light scattering' . . 15847 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15847 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XfR39 '[U-100% 13C; U-100% 15N]' . . 1 $XF2673 . . 1.0 . . mM . . . . 15847 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15847 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15847 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15847 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15847 1 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15847 1 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15847 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15847 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XfR39 '[U-5% 13C; U-100% 15N]' . . 1 $XF2673 . . 1.0 . . mM . . . . 15847 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 15847 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 15847 2 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 15847 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15847 2 6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 15847 2 7 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 15847 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15847 _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' 100 . mM 15847 1 pH 6.5 . pH 15847 1 pressure 1 . atm 15847 1 temperature 293 . K 15847 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15847 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15847 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15847 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15847 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15847 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15847 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15847 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15847 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15847 3 'peak picking' 15847 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 15847 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 15847 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15847 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15847 _Software.ID 5 _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' . . 15847 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15847 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15847 _Software.ID 6 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15847 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15847 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15847 _Software.ID 7 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15847 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15847 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 15847 _Software.ID 8 _Software.Name PSVS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 15847 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15847 8 stop_ save_ save_Pdbstat _Software.Sf_category software _Software.Sf_framecode Pdbstat _Software.Entry_ID 15847 _Software.ID 9 _Software.Name PDBStat _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Tejero and Montelione' . . 15847 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID PDBanalysis 15847 9 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 15847 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15847 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details TXI _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15847 _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 . 800 cryoprobe . . 15847 1 2 spectrometer_2 Bruker Avance . 600 TXI . . 15847 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 15847 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 3 '2D 1H-13C HSQC_armatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 10 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15847 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15847 1 12 '3D simutaeous NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15847 1 13 '3D 1H-13C NOESY_aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15847 1 14 '2D 1H-13C HSQC_high resolution' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15847 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 15847 _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 0.0 internal indirect 0.251449530 . . . . . . . . . 15847 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 15847 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 15847 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 15847 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15847 1 2 '2D 1H-13C HSQC' . . . 15847 1 3 '2D 1H-13C HSQC_armatic' . . . 15847 1 4 '3D CBCA(CO)NH' . . . 15847 1 6 '3D HNCACB' . . . 15847 1 8 '3D HCCH-COSY' . . . 15847 1 9 '3D CCH-TOCSY' . . . 15847 1 10 '3D HNCO' . . . 15847 1 11 '3D 1H-15N NOESY' . . . 15847 1 13 '3D 1H-13C NOESY_aromatic' . . . 15847 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.577 . . 1 . . . . 1 Met HA . 15847 1 2 . 1 1 1 1 MET HB2 H 1 3.086 . . 2 . . . . 1 Met HB2 . 15847 1 3 . 1 1 1 1 MET HB3 H 1 3.086 . . 2 . . . . 1 Met HB3 . 15847 1 4 . 1 1 1 1 MET C C 13 173.902 . . 1 . . . . 1 Met C . 15847 1 5 . 1 1 1 1 MET CA C 13 56.079 . . 1 . . . . 1 Met CA . 15847 1 6 . 1 1 1 1 MET CB C 13 30.138 . . 1 . . . . 1 Met CB . 15847 1 7 . 1 1 2 2 ASP H H 1 8.151 . . 1 . . . . 2 Asp H . 15847 1 8 . 1 1 2 2 ASP HA H 1 4.590 . . 1 . . . . 2 Asp HA . 15847 1 9 . 1 1 2 2 ASP HB2 H 1 2.735 . . 2 . . . . 2 Asp HB2 . 15847 1 10 . 1 1 2 2 ASP HB3 H 1 2.631 . . 2 . . . . 2 Asp HB3 . 15847 1 11 . 1 1 2 2 ASP C C 13 176.808 . . 1 . . . . 2 Asp C . 15847 1 12 . 1 1 2 2 ASP CA C 13 54.442 . . 1 . . . . 2 Asp CA . 15847 1 13 . 1 1 2 2 ASP CB C 13 41.447 . . 1 . . . . 2 Asp CB . 15847 1 14 . 1 1 2 2 ASP N N 15 125.369 . . 1 . . . . 2 Asp N . 15847 1 15 . 1 1 3 3 ARG H H 1 8.791 . . 1 . . . . 3 Arg H . 15847 1 16 . 1 1 3 3 ARG HA H 1 4.005 . . 1 . . . . 3 Arg HA . 15847 1 17 . 1 1 3 3 ARG HB2 H 1 1.921 . . 2 . . . . 3 Arg HB2 . 15847 1 18 . 1 1 3 3 ARG HB3 H 1 1.851 . . 2 . . . . 3 Arg HB3 . 15847 1 19 . 1 1 3 3 ARG HD2 H 1 3.211 . . 2 . . . . 3 Arg HD2 . 15847 1 20 . 1 1 3 3 ARG HD3 H 1 3.211 . . 2 . . . . 3 Arg HD3 . 15847 1 21 . 1 1 3 3 ARG HG2 H 1 1.752 . . 2 . . . . 3 Arg HG2 . 15847 1 22 . 1 1 3 3 ARG HG3 H 1 1.655 . . 2 . . . . 3 Arg HG3 . 15847 1 23 . 1 1 3 3 ARG C C 13 177.915 . . 1 . . . . 3 Arg C . 15847 1 24 . 1 1 3 3 ARG CA C 13 58.286 . . 1 . . . . 3 Arg CA . 15847 1 25 . 1 1 3 3 ARG CB C 13 30.050 . . 1 . . . . 3 Arg CB . 15847 1 26 . 1 1 3 3 ARG CD C 13 43.269 . . 1 . . . . 3 Arg CD . 15847 1 27 . 1 1 3 3 ARG CG C 13 27.665 . . 1 . . . . 3 Arg CG . 15847 1 28 . 1 1 3 3 ARG N N 15 125.742 . . 1 . . . . 3 Arg N . 15847 1 29 . 1 1 4 4 LYS H H 1 8.604 . . 1 . . . . 4 Lys H . 15847 1 30 . 1 1 4 4 LYS HA H 1 4.137 . . 1 . . . . 4 Lys HA . 15847 1 31 . 1 1 4 4 LYS HB2 H 1 1.876 . . 2 . . . . 4 Lys HB2 . 15847 1 32 . 1 1 4 4 LYS HB3 H 1 1.825 . . 2 . . . . 4 Lys HB3 . 15847 1 33 . 1 1 4 4 LYS HD2 H 1 1.702 . . 2 . . . . 4 Lys HD2 . 15847 1 34 . 1 1 4 4 LYS HD3 H 1 1.702 . . 2 . . . . 4 Lys HD3 . 15847 1 35 . 1 1 4 4 LYS HE2 H 1 2.993 . . 2 . . . . 4 Lys HE2 . 15847 1 36 . 1 1 4 4 LYS HE3 H 1 2.993 . . 2 . . . . 4 Lys HE3 . 15847 1 37 . 1 1 4 4 LYS HG2 H 1 1.493 . . 2 . . . . 4 Lys HG2 . 15847 1 38 . 1 1 4 4 LYS HG3 H 1 1.432 . . 2 . . . . 4 Lys HG3 . 15847 1 39 . 1 1 4 4 LYS C C 13 177.774 . . 1 . . . . 4 Lys C . 15847 1 40 . 1 1 4 4 LYS CA C 13 58.494 . . 1 . . . . 4 Lys CA . 15847 1 41 . 1 1 4 4 LYS CB C 13 32.041 . . 1 . . . . 4 Lys CB . 15847 1 42 . 1 1 4 4 LYS CD C 13 29.091 . . 1 . . . . 4 Lys CD . 15847 1 43 . 1 1 4 4 LYS CE C 13 41.882 . . 1 . . . . 4 Lys CE . 15847 1 44 . 1 1 4 4 LYS CG C 13 25.200 . . 1 . . . . 4 Lys CG . 15847 1 45 . 1 1 4 4 LYS N N 15 120.148 . . 1 . . . . 4 Lys N . 15847 1 46 . 1 1 5 5 LEU H H 1 7.765 . . 1 . . . . 5 Leu H . 15847 1 47 . 1 1 5 5 LEU HA H 1 4.271 . . 1 . . . . 5 Leu HA . 15847 1 48 . 1 1 5 5 LEU HB2 H 1 1.667 . . 2 . . . . 5 Leu HB2 . 15847 1 49 . 1 1 5 5 LEU HB3 H 1 1.576 . . 2 . . . . 5 Leu HB3 . 15847 1 50 . 1 1 5 5 LEU HD11 H 1 0.855 . . 1 . . . . 5 Leu HD1 . 15847 1 51 . 1 1 5 5 LEU HD12 H 1 0.855 . . 1 . . . . 5 Leu HD1 . 15847 1 52 . 1 1 5 5 LEU HD13 H 1 0.855 . . 1 . . . . 5 Leu HD1 . 15847 1 53 . 1 1 5 5 LEU HD21 H 1 0.792 . . 1 . . . . 5 Leu HD2 . 15847 1 54 . 1 1 5 5 LEU HD22 H 1 0.792 . . 1 . . . . 5 Leu HD2 . 15847 1 55 . 1 1 5 5 LEU HD23 H 1 0.792 . . 1 . . . . 5 Leu HD2 . 15847 1 56 . 1 1 5 5 LEU HG H 1 1.470 . . 1 . . . . 5 Leu HG . 15847 1 57 . 1 1 5 5 LEU C C 13 178.223 . . 1 . . . . 5 Leu C . 15847 1 58 . 1 1 5 5 LEU CA C 13 55.223 . . 1 . . . . 5 Leu CA . 15847 1 59 . 1 1 5 5 LEU CB C 13 41.973 . . 1 . . . . 5 Leu CB . 15847 1 60 . 1 1 5 5 LEU CD1 C 13 24.813 . . 1 . . . . 5 Leu CD1 . 15847 1 61 . 1 1 5 5 LEU CD2 C 13 23.556 . . 1 . . . . 5 Leu CD2 . 15847 1 62 . 1 1 5 5 LEU CG C 13 26.943 . . 1 . . . . 5 Leu CG . 15847 1 63 . 1 1 5 5 LEU N N 15 118.346 . . 1 . . . . 5 Leu N . 15847 1 64 . 1 1 6 6 LEU H H 1 7.583 . . 1 . . . . 6 Leu H . 15847 1 65 . 1 1 6 6 LEU HA H 1 3.927 . . 1 . . . . 6 Leu HA . 15847 1 66 . 1 1 6 6 LEU HB2 H 1 1.677 . . 2 . . . . 6 Leu HB2 . 15847 1 67 . 1 1 6 6 LEU HB3 H 1 1.554 . . 2 . . . . 6 Leu HB3 . 15847 1 68 . 1 1 6 6 LEU HD11 H 1 0.881 . . 2 . . . . 6 Leu HD1 . 15847 1 69 . 1 1 6 6 LEU HD12 H 1 0.881 . . 2 . . . . 6 Leu HD1 . 15847 1 70 . 1 1 6 6 LEU HD13 H 1 0.881 . . 2 . . . . 6 Leu HD1 . 15847 1 71 . 1 1 6 6 LEU HD21 H 1 0.779 . . 2 . . . . 6 Leu HD2 . 15847 1 72 . 1 1 6 6 LEU HD22 H 1 0.779 . . 2 . . . . 6 Leu HD2 . 15847 1 73 . 1 1 6 6 LEU HD23 H 1 0.779 . . 2 . . . . 6 Leu HD2 . 15847 1 74 . 1 1 6 6 LEU HG H 1 1.649 . . 1 . . . . 6 Leu HG . 15847 1 75 . 1 1 6 6 LEU CA C 13 57.187 . . 1 . . . . 6 Leu CA . 15847 1 76 . 1 1 6 6 LEU CB C 13 41.907 . . 1 . . . . 6 Leu CB . 15847 1 77 . 1 1 6 6 LEU CD1 C 13 25.230 . . 2 . . . . 6 Leu CD1 . 15847 1 78 . 1 1 6 6 LEU CD2 C 13 24.047 . . 2 . . . . 6 Leu CD2 . 15847 1 79 . 1 1 6 6 LEU CG C 13 27.037 . . 1 . . . . 6 Leu CG . 15847 1 80 . 1 1 6 6 LEU N N 15 118.846 . . 1 . . . . 6 Leu N . 15847 1 81 . 1 1 7 7 HIS HA H 1 4.591 . . 1 . . . . 7 His HA . 15847 1 82 . 1 1 7 7 HIS HB2 H 1 3.180 . . 2 . . . . 7 His HB2 . 15847 1 83 . 1 1 7 7 HIS HB3 H 1 3.180 . . 2 . . . . 7 His HB3 . 15847 1 84 . 1 1 7 7 HIS C C 13 175.396 . . 1 . . . . 7 His C . 15847 1 85 . 1 1 7 7 HIS CA C 13 57.203 . . 1 . . . . 7 His CA . 15847 1 86 . 1 1 7 7 HIS CB C 13 29.713 . . 1 . . . . 7 His CB . 15847 1 87 . 1 1 8 8 LEU H H 1 7.623 . . 1 . . . . 8 Leu H . 15847 1 88 . 1 1 8 8 LEU HA H 1 4.240 . . 1 . . . . 8 Leu HA . 15847 1 89 . 1 1 8 8 LEU HB2 H 1 1.604 . . 2 . . . . 8 Leu HB2 . 15847 1 90 . 1 1 8 8 LEU HB3 H 1 1.604 . . 2 . . . . 8 Leu HB3 . 15847 1 91 . 1 1 8 8 LEU HD11 H 1 0.836 . . 2 . . . . 8 Leu HD1 . 15847 1 92 . 1 1 8 8 LEU HD12 H 1 0.836 . . 2 . . . . 8 Leu HD1 . 15847 1 93 . 1 1 8 8 LEU HD13 H 1 0.836 . . 2 . . . . 8 Leu HD1 . 15847 1 94 . 1 1 8 8 LEU HD21 H 1 0.740 . . 2 . . . . 8 Leu HD2 . 15847 1 95 . 1 1 8 8 LEU HD22 H 1 0.740 . . 2 . . . . 8 Leu HD2 . 15847 1 96 . 1 1 8 8 LEU HD23 H 1 0.740 . . 2 . . . . 8 Leu HD2 . 15847 1 97 . 1 1 8 8 LEU HG H 1 1.105 . . 1 . . . . 8 Leu HG . 15847 1 98 . 1 1 8 8 LEU C C 13 177.004 . . 1 . . . . 8 Leu C . 15847 1 99 . 1 1 8 8 LEU CA C 13 54.933 . . 1 . . . . 8 Leu CA . 15847 1 100 . 1 1 8 8 LEU CB C 13 41.956 . . 1 . . . . 8 Leu CB . 15847 1 101 . 1 1 8 8 LEU CD1 C 13 25.648 . . 2 . . . . 8 Leu CD1 . 15847 1 102 . 1 1 8 8 LEU CD2 C 13 22.891 . . 2 . . . . 8 Leu CD2 . 15847 1 103 . 1 1 8 8 LEU CG C 13 26.553 . . 1 . . . . 8 Leu CG . 15847 1 104 . 1 1 8 8 LEU N N 15 119.968 . . 1 . . . . 8 Leu N . 15847 1 105 . 1 1 9 9 LEU H H 1 7.700 . . 1 . . . . 9 Leu H . 15847 1 106 . 1 1 9 9 LEU HA H 1 4.418 . . 1 . . . . 9 Leu HA . 15847 1 107 . 1 1 9 9 LEU HB2 H 1 1.723 . . 2 . . . . 9 Leu HB2 . 15847 1 108 . 1 1 9 9 LEU HB3 H 1 1.239 . . 2 . . . . 9 Leu HB3 . 15847 1 109 . 1 1 9 9 LEU HD11 H 1 0.773 . . 1 . . . . 9 Leu HD1 . 15847 1 110 . 1 1 9 9 LEU HD12 H 1 0.773 . . 1 . . . . 9 Leu HD1 . 15847 1 111 . 1 1 9 9 LEU HD13 H 1 0.773 . . 1 . . . . 9 Leu HD1 . 15847 1 112 . 1 1 9 9 LEU HD21 H 1 0.718 . . 1 . . . . 9 Leu HD2 . 15847 1 113 . 1 1 9 9 LEU HD22 H 1 0.718 . . 1 . . . . 9 Leu HD2 . 15847 1 114 . 1 1 9 9 LEU HD23 H 1 0.718 . . 1 . . . . 9 Leu HD2 . 15847 1 115 . 1 1 9 9 LEU HG H 1 1.709 . . 1 . . . . 9 Leu HG . 15847 1 116 . 1 1 9 9 LEU C C 13 176.411 . . 1 . . . . 9 Leu C . 15847 1 117 . 1 1 9 9 LEU CA C 13 54.660 . . 1 . . . . 9 Leu CA . 15847 1 118 . 1 1 9 9 LEU CB C 13 43.604 . . 1 . . . . 9 Leu CB . 15847 1 119 . 1 1 9 9 LEU CD1 C 13 26.166 . . 1 . . . . 9 Leu CD1 . 15847 1 120 . 1 1 9 9 LEU CD2 C 13 23.027 . . 1 . . . . 9 Leu CD2 . 15847 1 121 . 1 1 9 9 LEU CG C 13 26.433 . . 1 . . . . 9 Leu CG . 15847 1 122 . 1 1 9 9 LEU N N 15 120.081 . . 1 . . . . 9 Leu N . 15847 1 123 . 1 1 10 10 CYS H H 1 8.056 . . 1 . . . . 10 Cys H . 15847 1 124 . 1 1 10 10 CYS HA H 1 4.991 . . 1 . . . . 10 Cys HA . 15847 1 125 . 1 1 10 10 CYS HB2 H 1 2.478 . . 2 . . . . 10 Cys HB2 . 15847 1 126 . 1 1 10 10 CYS HB3 H 1 2.478 . . 2 . . . . 10 Cys HB3 . 15847 1 127 . 1 1 10 10 CYS C C 13 173.369 . . 1 . . . . 10 Cys C . 15847 1 128 . 1 1 10 10 CYS CA C 13 55.802 . . 1 . . . . 10 Cys CA . 15847 1 129 . 1 1 10 10 CYS CB C 13 31.017 . . 1 . . . . 10 Cys CB . 15847 1 130 . 1 1 10 10 CYS N N 15 116.772 . . 1 . . . . 10 Cys N . 15847 1 131 . 1 1 11 11 SER H H 1 8.927 . . 1 . . . . 11 Ser H . 15847 1 132 . 1 1 11 11 SER HA H 1 3.981 . . 1 . . . . 11 Ser HA . 15847 1 133 . 1 1 11 11 SER HB2 H 1 4.216 . . 2 . . . . 11 Ser HB2 . 15847 1 134 . 1 1 11 11 SER HB3 H 1 3.805 . . 2 . . . . 11 Ser HB3 . 15847 1 135 . 1 1 11 11 SER CA C 13 55.949 . . 1 . . . . 11 Ser CA . 15847 1 136 . 1 1 11 11 SER CB C 13 62.866 . . 1 . . . . 11 Ser CB . 15847 1 137 . 1 1 11 11 SER N N 15 116.773 . . 1 . . . . 11 Ser N . 15847 1 138 . 1 1 12 12 PRO HA H 1 4.337 . . 1 . . . . 12 Pro HA . 15847 1 139 . 1 1 12 12 PRO HB2 H 1 2.275 . . 2 . . . . 12 Pro HB2 . 15847 1 140 . 1 1 12 12 PRO HB3 H 1 1.953 . . 2 . . . . 12 Pro HB3 . 15847 1 141 . 1 1 12 12 PRO HD2 H 1 3.153 . . 2 . . . . 12 Pro HD2 . 15847 1 142 . 1 1 12 12 PRO HD3 H 1 3.527 . . 2 . . . . 12 Pro HD3 . 15847 1 143 . 1 1 12 12 PRO HG2 H 1 1.876 . . 2 . . . . 12 Pro HG2 . 15847 1 144 . 1 1 12 12 PRO HG3 H 1 1.808 . . 2 . . . . 12 Pro HG3 . 15847 1 145 . 1 1 12 12 PRO C C 13 176.881 . . 1 . . . . 12 Pro C . 15847 1 146 . 1 1 12 12 PRO CA C 13 64.252 . . 1 . . . . 12 Pro CA . 15847 1 147 . 1 1 12 12 PRO CB C 13 31.705 . . 1 . . . . 12 Pro CB . 15847 1 148 . 1 1 12 12 PRO CD C 13 50.329 . . 1 . . . . 12 Pro CD . 15847 1 149 . 1 1 12 12 PRO CG C 13 27.179 . . 1 . . . . 12 Pro CG . 15847 1 150 . 1 1 13 13 ASP H H 1 8.828 . . 1 . . . . 13 Asp H . 15847 1 151 . 1 1 13 13 ASP HA H 1 4.580 . . 1 . . . . 13 Asp HA . 15847 1 152 . 1 1 13 13 ASP HB2 H 1 2.772 . . 2 . . . . 13 Asp HB2 . 15847 1 153 . 1 1 13 13 ASP HB3 H 1 2.789 . . 2 . . . . 13 Asp HB3 . 15847 1 154 . 1 1 13 13 ASP C C 13 177.563 . . 1 . . . . 13 Asp C . 15847 1 155 . 1 1 13 13 ASP CA C 13 55.701 . . 1 . . . . 13 Asp CA . 15847 1 156 . 1 1 13 13 ASP CB C 13 40.341 . . 1 . . . . 13 Asp CB . 15847 1 157 . 1 1 13 13 ASP N N 15 116.013 . . 1 . . . . 13 Asp N . 15847 1 158 . 1 1 14 14 THR H H 1 8.484 . . 1 . . . . 14 Thr H . 15847 1 159 . 1 1 14 14 THR HA H 1 4.275 . . 1 . . . . 14 Thr HA . 15847 1 160 . 1 1 14 14 THR HB H 1 4.450 . . 1 . . . . 14 Thr HB . 15847 1 161 . 1 1 14 14 THR HG21 H 1 1.221 . . 1 . . . . 14 Thr HG2 . 15847 1 162 . 1 1 14 14 THR HG22 H 1 1.221 . . 1 . . . . 14 Thr HG2 . 15847 1 163 . 1 1 14 14 THR HG23 H 1 1.221 . . 1 . . . . 14 Thr HG2 . 15847 1 164 . 1 1 14 14 THR C C 13 174.873 . . 1 . . . . 14 Thr C . 15847 1 165 . 1 1 14 14 THR CA C 13 61.722 . . 1 . . . . 14 Thr CA . 15847 1 166 . 1 1 14 14 THR CB C 13 70.100 . . 1 . . . . 14 Thr CB . 15847 1 167 . 1 1 14 14 THR CG2 C 13 21.880 . . 1 . . . . 14 Thr CG2 . 15847 1 168 . 1 1 14 14 THR N N 15 110.264 . . 1 . . . . 14 Thr N . 15847 1 169 . 1 1 15 15 ARG H H 1 7.622 . . 1 . . . . 15 Arg H . 15847 1 170 . 1 1 15 15 ARG HA H 1 4.152 . . 1 . . . . 15 Arg HA . 15847 1 171 . 1 1 15 15 ARG HB2 H 1 1.736 . . 2 . . . . 15 Arg HB2 . 15847 1 172 . 1 1 15 15 ARG HB3 H 1 1.507 . . 2 . . . . 15 Arg HB3 . 15847 1 173 . 1 1 15 15 ARG HD2 H 1 3.129 . . 2 . . . . 15 Arg HD2 . 15847 1 174 . 1 1 15 15 ARG HD3 H 1 3.130 . . 2 . . . . 15 Arg HD3 . 15847 1 175 . 1 1 15 15 ARG HG2 H 1 1.960 . . 2 . . . . 15 Arg HG2 . 15847 1 176 . 1 1 15 15 ARG HG3 H 1 1.514 . . 2 . . . . 15 Arg HG3 . 15847 1 177 . 1 1 15 15 ARG C C 13 175.793 . . 1 . . . . 15 Arg C . 15847 1 178 . 1 1 15 15 ARG CA C 13 56.737 . . 1 . . . . 15 Arg CA . 15847 1 179 . 1 1 15 15 ARG CB C 13 26.989 . . 1 . . . . 15 Arg CB . 15847 1 180 . 1 1 15 15 ARG CD C 13 42.887 . . 1 . . . . 15 Arg CD . 15847 1 181 . 1 1 15 15 ARG CG C 13 26.934 . . 1 . . . . 15 Arg CG . 15847 1 182 . 1 1 15 15 ARG N N 15 117.835 . . 1 . . . . 15 Arg N . 15847 1 183 . 1 1 16 16 GLN H H 1 8.053 . . 1 . . . . 16 Gln H . 15847 1 184 . 1 1 16 16 GLN HA H 1 4.648 . . 1 . . . . 16 Gln HA . 15847 1 185 . 1 1 16 16 GLN HB2 H 1 2.181 . . 2 . . . . 16 Gln HB2 . 15847 1 186 . 1 1 16 16 GLN HB3 H 1 1.873 . . 2 . . . . 16 Gln HB3 . 15847 1 187 . 1 1 16 16 GLN HE21 H 1 7.402 . . 2 . . . . 16 Gln HE21 . 15847 1 188 . 1 1 16 16 GLN HE22 H 1 6.918 . . 2 . . . . 16 Gln HE22 . 15847 1 189 . 1 1 16 16 GLN HG2 H 1 2.422 . . 2 . . . . 16 Gln HG2 . 15847 1 190 . 1 1 16 16 GLN HG3 H 1 2.318 . . 2 . . . . 16 Gln HG3 . 15847 1 191 . 1 1 16 16 GLN CA C 13 53.604 . . 1 . . . . 16 Gln CA . 15847 1 192 . 1 1 16 16 GLN CB C 13 30.242 . . 1 . . . . 16 Gln CB . 15847 1 193 . 1 1 16 16 GLN CG C 13 33.849 . . 1 . . . . 16 Gln CG . 15847 1 194 . 1 1 16 16 GLN N N 15 118.482 . . 1 . . . . 16 Gln N . 15847 1 195 . 1 1 16 16 GLN NE2 N 15 111.611 . . 1 . . . . 16 Gln NE2 . 15847 1 196 . 1 1 17 17 PRO HA H 1 4.586 . . 1 . . . . 17 Pro HA . 15847 1 197 . 1 1 17 17 PRO HB2 H 1 2.472 . . 2 . . . . 17 Pro HB2 . 15847 1 198 . 1 1 17 17 PRO HB3 H 1 1.878 . . 2 . . . . 17 Pro HB3 . 15847 1 199 . 1 1 17 17 PRO HD2 H 1 3.991 . . 2 . . . . 17 Pro HD2 . 15847 1 200 . 1 1 17 17 PRO HD3 H 1 3.503 . . 2 . . . . 17 Pro HD3 . 15847 1 201 . 1 1 17 17 PRO HG2 H 1 2.039 . . 2 . . . . 17 Pro HG2 . 15847 1 202 . 1 1 17 17 PRO HG3 H 1 2.039 . . 2 . . . . 17 Pro HG3 . 15847 1 203 . 1 1 17 17 PRO C C 13 175.725 . . 1 . . . . 17 Pro C . 15847 1 204 . 1 1 17 17 PRO CA C 13 63.188 . . 1 . . . . 17 Pro CA . 15847 1 205 . 1 1 17 17 PRO CB C 13 32.604 . . 1 . . . . 17 Pro CB . 15847 1 206 . 1 1 17 17 PRO CD C 13 50.851 . . 1 . . . . 17 Pro CD . 15847 1 207 . 1 1 17 17 PRO CG C 13 27.726 . . 1 . . . . 17 Pro CG . 15847 1 208 . 1 1 18 18 LEU H H 1 8.155 . . 1 . . . . 18 Leu H . 15847 1 209 . 1 1 18 18 LEU HA H 1 5.055 . . 1 . . . . 18 Leu HA . 15847 1 210 . 1 1 18 18 LEU HB2 H 1 1.519 . . 2 . . . . 18 Leu HB2 . 15847 1 211 . 1 1 18 18 LEU HB3 H 1 1.216 . . 2 . . . . 18 Leu HB3 . 15847 1 212 . 1 1 18 18 LEU HD11 H 1 0.394 . . 1 . . . . 18 Leu HD1 . 15847 1 213 . 1 1 18 18 LEU HD12 H 1 0.394 . . 1 . . . . 18 Leu HD1 . 15847 1 214 . 1 1 18 18 LEU HD13 H 1 0.394 . . 1 . . . . 18 Leu HD1 . 15847 1 215 . 1 1 18 18 LEU HD21 H 1 0.675 . . 1 . . . . 18 Leu HD2 . 15847 1 216 . 1 1 18 18 LEU HD22 H 1 0.675 . . 1 . . . . 18 Leu HD2 . 15847 1 217 . 1 1 18 18 LEU HD23 H 1 0.675 . . 1 . . . . 18 Leu HD2 . 15847 1 218 . 1 1 18 18 LEU HG H 1 1.501 . . 1 . . . . 18 Leu HG . 15847 1 219 . 1 1 18 18 LEU C C 13 176.142 . . 1 . . . . 18 Leu C . 15847 1 220 . 1 1 18 18 LEU CA C 13 53.112 . . 1 . . . . 18 Leu CA . 15847 1 221 . 1 1 18 18 LEU CB C 13 45.681 . . 1 . . . . 18 Leu CB . 15847 1 222 . 1 1 18 18 LEU CD1 C 13 27.361 . . 1 . . . . 18 Leu CD1 . 15847 1 223 . 1 1 18 18 LEU CD2 C 13 25.288 . . 1 . . . . 18 Leu CD2 . 15847 1 224 . 1 1 18 18 LEU CG C 13 27.015 . . 1 . . . . 18 Leu CG . 15847 1 225 . 1 1 18 18 LEU N N 15 120.513 . . 1 . . . . 18 Leu N . 15847 1 226 . 1 1 19 19 SER H H 1 8.611 . . 1 . . . . 19 Ser H . 15847 1 227 . 1 1 19 19 SER HA H 1 4.698 . . 1 . . . . 19 Ser HA . 15847 1 228 . 1 1 19 19 SER HB2 H 1 3.833 . . 2 . . . . 19 Ser HB2 . 15847 1 229 . 1 1 19 19 SER HB3 H 1 3.876 . . 2 . . . . 19 Ser HB3 . 15847 1 230 . 1 1 19 19 SER C C 13 173.203 . . 1 . . . . 19 Ser C . 15847 1 231 . 1 1 19 19 SER CA C 13 56.819 . . 1 . . . . 19 Ser CA . 15847 1 232 . 1 1 19 19 SER CB C 13 66.116 . . 1 . . . . 19 Ser CB . 15847 1 233 . 1 1 19 19 SER N N 15 113.382 . . 1 . . . . 19 Ser N . 15847 1 234 . 1 1 20 20 LEU H H 1 8.756 . . 1 . . . . 20 Leu H . 15847 1 235 . 1 1 20 20 LEU HA H 1 4.604 . . 1 . . . . 20 Leu HA . 15847 1 236 . 1 1 20 20 LEU HB2 H 1 1.602 . . 2 . . . . 20 Leu HB2 . 15847 1 237 . 1 1 20 20 LEU HB3 H 1 1.518 . . 2 . . . . 20 Leu HB3 . 15847 1 238 . 1 1 20 20 LEU HD11 H 1 0.915 . . 2 . . . . 20 Leu HD1 . 15847 1 239 . 1 1 20 20 LEU HD12 H 1 0.915 . . 2 . . . . 20 Leu HD1 . 15847 1 240 . 1 1 20 20 LEU HD13 H 1 0.915 . . 2 . . . . 20 Leu HD1 . 15847 1 241 . 1 1 20 20 LEU HD21 H 1 0.844 . . 2 . . . . 20 Leu HD2 . 15847 1 242 . 1 1 20 20 LEU HD22 H 1 0.844 . . 2 . . . . 20 Leu HD2 . 15847 1 243 . 1 1 20 20 LEU HD23 H 1 0.844 . . 2 . . . . 20 Leu HD2 . 15847 1 244 . 1 1 20 20 LEU HG H 1 1.616 . . 1 . . . . 20 Leu HG . 15847 1 245 . 1 1 20 20 LEU C C 13 177.904 . . 1 . . . . 20 Leu C . 15847 1 246 . 1 1 20 20 LEU CA C 13 56.023 . . 1 . . . . 20 Leu CA . 15847 1 247 . 1 1 20 20 LEU CB C 13 41.893 . . 1 . . . . 20 Leu CB . 15847 1 248 . 1 1 20 20 LEU CD1 C 13 25.078 . . 2 . . . . 20 Leu CD1 . 15847 1 249 . 1 1 20 20 LEU CD2 C 13 23.646 . . 2 . . . . 20 Leu CD2 . 15847 1 250 . 1 1 20 20 LEU CG C 13 26.986 . . 1 . . . . 20 Leu CG . 15847 1 251 . 1 1 20 20 LEU N N 15 122.864 . . 1 . . . . 20 Leu N . 15847 1 252 . 1 1 21 21 LEU H H 1 8.961 . . 1 . . . . 21 Leu H . 15847 1 253 . 1 1 21 21 LEU HA H 1 4.034 . . 1 . . . . 21 Leu HA . 15847 1 254 . 1 1 21 21 LEU HB2 H 1 1.788 . . 2 . . . . 21 Leu HB2 . 15847 1 255 . 1 1 21 21 LEU HB3 H 1 0.894 . . 2 . . . . 21 Leu HB3 . 15847 1 256 . 1 1 21 21 LEU HD11 H 1 1.178 . . 1 . . . . 21 Leu HD1 . 15847 1 257 . 1 1 21 21 LEU HD12 H 1 1.178 . . 1 . . . . 21 Leu HD1 . 15847 1 258 . 1 1 21 21 LEU HD13 H 1 1.178 . . 1 . . . . 21 Leu HD1 . 15847 1 259 . 1 1 21 21 LEU HD21 H 1 0.772 . . 1 . . . . 21 Leu HD2 . 15847 1 260 . 1 1 21 21 LEU HD22 H 1 0.772 . . 1 . . . . 21 Leu HD2 . 15847 1 261 . 1 1 21 21 LEU HD23 H 1 0.772 . . 1 . . . . 21 Leu HD2 . 15847 1 262 . 1 1 21 21 LEU HG H 1 1.986 . . 1 . . . . 21 Leu HG . 15847 1 263 . 1 1 21 21 LEU C C 13 174.887 . . 1 . . . . 21 Leu C . 15847 1 264 . 1 1 21 21 LEU CA C 13 55.899 . . 1 . . . . 21 Leu CA . 15847 1 265 . 1 1 21 21 LEU CB C 13 42.983 . . 1 . . . . 21 Leu CB . 15847 1 266 . 1 1 21 21 LEU CD1 C 13 24.236 . . 1 . . . . 21 Leu CD1 . 15847 1 267 . 1 1 21 21 LEU CD2 C 13 27.261 . . 1 . . . . 21 Leu CD2 . 15847 1 268 . 1 1 21 21 LEU CG C 13 26.467 . . 1 . . . . 21 Leu CG . 15847 1 269 . 1 1 21 21 LEU N N 15 127.885 . . 1 . . . . 21 Leu N . 15847 1 270 . 1 1 22 22 GLU H H 1 9.185 . . 1 . . . . 22 Glu H . 15847 1 271 . 1 1 22 22 GLU HA H 1 4.468 . . 1 . . . . 22 Glu HA . 15847 1 272 . 1 1 22 22 GLU HB2 H 1 2.337 . . 2 . . . . 22 Glu HB2 . 15847 1 273 . 1 1 22 22 GLU HB3 H 1 2.336 . . 2 . . . . 22 Glu HB3 . 15847 1 274 . 1 1 22 22 GLU HG2 H 1 2.133 . . 2 . . . . 22 Glu HG2 . 15847 1 275 . 1 1 22 22 GLU HG3 H 1 2.655 . . 2 . . . . 22 Glu HG3 . 15847 1 276 . 1 1 22 22 GLU C C 13 175.844 . . 1 . . . . 22 Glu C . 15847 1 277 . 1 1 22 22 GLU CA C 13 56.449 . . 1 . . . . 22 Glu CA . 15847 1 278 . 1 1 22 22 GLU CB C 13 28.461 . . 1 . . . . 22 Glu CB . 15847 1 279 . 1 1 22 22 GLU CG C 13 37.070 . . 1 . . . . 22 Glu CG . 15847 1 280 . 1 1 22 22 GLU N N 15 128.839 . . 1 . . . . 22 Glu N . 15847 1 281 . 1 1 23 23 SER H H 1 8.710 . . 1 . . . . 23 Ser H . 15847 1 282 . 1 1 23 23 SER HA H 1 3.944 . . 1 . . . . 23 Ser HA . 15847 1 283 . 1 1 23 23 SER HB2 H 1 4.074 . . 2 . . . . 23 Ser HB2 . 15847 1 284 . 1 1 23 23 SER HB3 H 1 4.074 . . 2 . . . . 23 Ser HB3 . 15847 1 285 . 1 1 23 23 SER C C 13 177.048 . . 1 . . . . 23 Ser C . 15847 1 286 . 1 1 23 23 SER CA C 13 62.653 . . 1 . . . . 23 Ser CA . 15847 1 287 . 1 1 23 23 SER CB C 13 62.672 . . 1 . . . . 23 Ser CB . 15847 1 288 . 1 1 23 23 SER N N 15 116.960 . . 1 . . . . 23 Ser N . 15847 1 289 . 1 1 24 24 LYS H H 1 8.821 . . 1 . . . . 24 Lys H . 15847 1 290 . 1 1 24 24 LYS HA H 1 4.104 . . 1 . . . . 24 Lys HA . 15847 1 291 . 1 1 24 24 LYS HB2 H 1 1.883 . . 2 . . . . 24 Lys HB2 . 15847 1 292 . 1 1 24 24 LYS HB3 H 1 1.735 . . 2 . . . . 24 Lys HB3 . 15847 1 293 . 1 1 24 24 LYS HD2 H 1 1.671 . . 2 . . . . 24 Lys HD2 . 15847 1 294 . 1 1 24 24 LYS HD3 H 1 1.671 . . 2 . . . . 24 Lys HD3 . 15847 1 295 . 1 1 24 24 LYS HE2 H 1 2.942 . . 2 . . . . 24 Lys HE2 . 15847 1 296 . 1 1 24 24 LYS HE3 H 1 2.942 . . 2 . . . . 24 Lys HE3 . 15847 1 297 . 1 1 24 24 LYS HG2 H 1 1.496 . . 2 . . . . 24 Lys HG2 . 15847 1 298 . 1 1 24 24 LYS HG3 H 1 1.363 . . 2 . . . . 24 Lys HG3 . 15847 1 299 . 1 1 24 24 LYS C C 13 179.657 . . 1 . . . . 24 Lys C . 15847 1 300 . 1 1 24 24 LYS CA C 13 59.803 . . 1 . . . . 24 Lys CA . 15847 1 301 . 1 1 24 24 LYS CB C 13 32.143 . . 1 . . . . 24 Lys CB . 15847 1 302 . 1 1 24 24 LYS CD C 13 29.034 . . 1 . . . . 24 Lys CD . 15847 1 303 . 1 1 24 24 LYS CE C 13 42.015 . . 1 . . . . 24 Lys CE . 15847 1 304 . 1 1 24 24 LYS CG C 13 25.194 . . 1 . . . . 24 Lys CG . 15847 1 305 . 1 1 24 24 LYS N N 15 121.044 . . 1 . . . . 24 Lys N . 15847 1 306 . 1 1 25 25 GLY H H 1 7.521 . . 1 . . . . 25 Gly H . 15847 1 307 . 1 1 25 25 GLY HA2 H 1 3.293 . . 2 . . . . 25 Gly HA2 . 15847 1 308 . 1 1 25 25 GLY HA3 H 1 3.479 . . 2 . . . . 25 Gly HA3 . 15847 1 309 . 1 1 25 25 GLY C C 13 174.570 . . 1 . . . . 25 Gly C . 15847 1 310 . 1 1 25 25 GLY CA C 13 47.087 . . 1 . . . . 25 Gly CA . 15847 1 311 . 1 1 25 25 GLY N N 15 108.528 . . 1 . . . . 25 Gly N . 15847 1 312 . 1 1 26 26 LEU H H 1 8.410 . . 1 . . . . 26 Leu H . 15847 1 313 . 1 1 26 26 LEU HA H 1 3.966 . . 1 . . . . 26 Leu HA . 15847 1 314 . 1 1 26 26 LEU HB2 H 1 1.837 . . 2 . . . . 26 Leu HB2 . 15847 1 315 . 1 1 26 26 LEU HB3 H 1 1.278 . . 2 . . . . 26 Leu HB3 . 15847 1 316 . 1 1 26 26 LEU HD11 H 1 0.765 . . 1 . . . . 26 Leu HD1 . 15847 1 317 . 1 1 26 26 LEU HD12 H 1 0.765 . . 1 . . . . 26 Leu HD1 . 15847 1 318 . 1 1 26 26 LEU HD13 H 1 0.765 . . 1 . . . . 26 Leu HD1 . 15847 1 319 . 1 1 26 26 LEU HD21 H 1 0.764 . . 1 . . . . 26 Leu HD2 . 15847 1 320 . 1 1 26 26 LEU HD22 H 1 0.764 . . 1 . . . . 26 Leu HD2 . 15847 1 321 . 1 1 26 26 LEU HD23 H 1 0.764 . . 1 . . . . 26 Leu HD2 . 15847 1 322 . 1 1 26 26 LEU HG H 1 1.541 . . 1 . . . . 26 Leu HG . 15847 1 323 . 1 1 26 26 LEU C C 13 178.091 . . 1 . . . . 26 Leu C . 15847 1 324 . 1 1 26 26 LEU CA C 13 58.328 . . 1 . . . . 26 Leu CA . 15847 1 325 . 1 1 26 26 LEU CB C 13 42.088 . . 1 . . . . 26 Leu CB . 15847 1 326 . 1 1 26 26 LEU CD1 C 13 23.862 . . 1 . . . . 26 Leu CD1 . 15847 1 327 . 1 1 26 26 LEU CD2 C 13 25.566 . . 1 . . . . 26 Leu CD2 . 15847 1 328 . 1 1 26 26 LEU CG C 13 26.521 . . 1 . . . . 26 Leu CG . 15847 1 329 . 1 1 26 26 LEU N N 15 124.710 . . 1 . . . . 26 Leu N . 15847 1 330 . 1 1 27 27 GLU H H 1 8.623 . . 1 . . . . 27 Glu H . 15847 1 331 . 1 1 27 27 GLU HA H 1 4.074 . . 1 . . . . 27 Glu HA . 15847 1 332 . 1 1 27 27 GLU HB2 H 1 2.062 . . 2 . . . . 27 Glu HB2 . 15847 1 333 . 1 1 27 27 GLU HB3 H 1 2.146 . . 2 . . . . 27 Glu HB3 . 15847 1 334 . 1 1 27 27 GLU HG2 H 1 2.397 . . 2 . . . . 27 Glu HG2 . 15847 1 335 . 1 1 27 27 GLU HG3 H 1 2.205 . . 2 . . . . 27 Glu HG3 . 15847 1 336 . 1 1 27 27 GLU C C 13 179.311 . . 1 . . . . 27 Glu C . 15847 1 337 . 1 1 27 27 GLU CA C 13 59.545 . . 1 . . . . 27 Glu CA . 15847 1 338 . 1 1 27 27 GLU CB C 13 29.488 . . 1 . . . . 27 Glu CB . 15847 1 339 . 1 1 27 27 GLU CG C 13 36.447 . . 1 . . . . 27 Glu CG . 15847 1 340 . 1 1 27 27 GLU N N 15 118.588 . . 1 . . . . 27 Glu N . 15847 1 341 . 1 1 28 28 ALA H H 1 7.484 . . 1 . . . . 28 Ala H . 15847 1 342 . 1 1 28 28 ALA HA H 1 4.173 . . 1 . . . . 28 Ala HA . 15847 1 343 . 1 1 28 28 ALA HB1 H 1 1.524 . . 1 . . . . 28 Ala HB . 15847 1 344 . 1 1 28 28 ALA HB2 H 1 1.524 . . 1 . . . . 28 Ala HB . 15847 1 345 . 1 1 28 28 ALA HB3 H 1 1.524 . . 1 . . . . 28 Ala HB . 15847 1 346 . 1 1 28 28 ALA C C 13 180.648 . . 1 . . . . 28 Ala C . 15847 1 347 . 1 1 28 28 ALA CA C 13 55.529 . . 1 . . . . 28 Ala CA . 15847 1 348 . 1 1 28 28 ALA CB C 13 18.176 . . 1 . . . . 28 Ala CB . 15847 1 349 . 1 1 28 28 ALA N N 15 121.063 . . 1 . . . . 28 Ala N . 15847 1 350 . 1 1 29 29 LEU H H 1 8.454 . . 1 . . . . 29 Leu H . 15847 1 351 . 1 1 29 29 LEU HA H 1 4.088 . . 1 . . . . 29 Leu HA . 15847 1 352 . 1 1 29 29 LEU HB2 H 1 2.227 . . 2 . . . . 29 Leu HB2 . 15847 1 353 . 1 1 29 29 LEU HB3 H 1 1.536 . . 2 . . . . 29 Leu HB3 . 15847 1 354 . 1 1 29 29 LEU HD11 H 1 0.770 . . 1 . . . . 29 Leu HD1 . 15847 1 355 . 1 1 29 29 LEU HD12 H 1 0.770 . . 1 . . . . 29 Leu HD1 . 15847 1 356 . 1 1 29 29 LEU HD13 H 1 0.770 . . 1 . . . . 29 Leu HD1 . 15847 1 357 . 1 1 29 29 LEU HD21 H 1 0.728 . . 1 . . . . 29 Leu HD2 . 15847 1 358 . 1 1 29 29 LEU HD22 H 1 0.728 . . 1 . . . . 29 Leu HD2 . 15847 1 359 . 1 1 29 29 LEU HD23 H 1 0.728 . . 1 . . . . 29 Leu HD2 . 15847 1 360 . 1 1 29 29 LEU HG H 1 1.613 . . 1 . . . . 29 Leu HG . 15847 1 361 . 1 1 29 29 LEU C C 13 177.448 . . 1 . . . . 29 Leu C . 15847 1 362 . 1 1 29 29 LEU CA C 13 58.501 . . 1 . . . . 29 Leu CA . 15847 1 363 . 1 1 29 29 LEU CB C 13 42.157 . . 1 . . . . 29 Leu CB . 15847 1 364 . 1 1 29 29 LEU CD1 C 13 23.775 . . 1 . . . . 29 Leu CD1 . 15847 1 365 . 1 1 29 29 LEU CD2 C 13 27.862 . . 1 . . . . 29 Leu CD2 . 15847 1 366 . 1 1 29 29 LEU CG C 13 26.771 . . 1 . . . . 29 Leu CG . 15847 1 367 . 1 1 29 29 LEU N N 15 120.501 . . 1 . . . . 29 Leu N . 15847 1 368 . 1 1 30 30 ASN H H 1 8.963 . . 1 . . . . 30 Asn H . 15847 1 369 . 1 1 30 30 ASN HA H 1 4.719 . . 1 . . . . 30 Asn HA . 15847 1 370 . 1 1 30 30 ASN HB2 H 1 2.813 . . 2 . . . . 30 Asn HB2 . 15847 1 371 . 1 1 30 30 ASN HB3 H 1 2.717 . . 2 . . . . 30 Asn HB3 . 15847 1 372 . 1 1 30 30 ASN HD21 H 1 7.741 . . 2 . . . . 30 Asn HD21 . 15847 1 373 . 1 1 30 30 ASN HD22 H 1 7.351 . . 2 . . . . 30 Asn HD22 . 15847 1 374 . 1 1 30 30 ASN C C 13 178.239 . . 1 . . . . 30 Asn C . 15847 1 375 . 1 1 30 30 ASN CA C 13 55.956 . . 1 . . . . 30 Asn CA . 15847 1 376 . 1 1 30 30 ASN CB C 13 37.394 . . 1 . . . . 30 Asn CB . 15847 1 377 . 1 1 30 30 ASN N N 15 118.249 . . 1 . . . . 30 Asn N . 15847 1 378 . 1 1 30 30 ASN ND2 N 15 110.025 . . 1 . . . . 30 Asn ND2 . 15847 1 379 . 1 1 31 31 LYS H H 1 8.311 . . 1 . . . . 31 Lys H . 15847 1 380 . 1 1 31 31 LYS HA H 1 4.060 . . 1 . . . . 31 Lys HA . 15847 1 381 . 1 1 31 31 LYS HB2 H 1 1.885 . . 2 . . . . 31 Lys HB2 . 15847 1 382 . 1 1 31 31 LYS HB3 H 1 1.886 . . 2 . . . . 31 Lys HB3 . 15847 1 383 . 1 1 31 31 LYS HD2 H 1 1.678 . . 2 . . . . 31 Lys HD2 . 15847 1 384 . 1 1 31 31 LYS HD3 H 1 1.678 . . 2 . . . . 31 Lys HD3 . 15847 1 385 . 1 1 31 31 LYS HE2 H 1 2.954 . . 2 . . . . 31 Lys HE2 . 15847 1 386 . 1 1 31 31 LYS HE3 H 1 2.954 . . 2 . . . . 31 Lys HE3 . 15847 1 387 . 1 1 31 31 LYS HG2 H 1 1.583 . . 2 . . . . 31 Lys HG2 . 15847 1 388 . 1 1 31 31 LYS HG3 H 1 1.432 . . 2 . . . . 31 Lys HG3 . 15847 1 389 . 1 1 31 31 LYS C C 13 179.194 . . 1 . . . . 31 Lys C . 15847 1 390 . 1 1 31 31 LYS CA C 13 59.761 . . 1 . . . . 31 Lys CA . 15847 1 391 . 1 1 31 31 LYS CB C 13 32.287 . . 1 . . . . 31 Lys CB . 15847 1 392 . 1 1 31 31 LYS CD C 13 29.203 . . 1 . . . . 31 Lys CD . 15847 1 393 . 1 1 31 31 LYS CE C 13 42.059 . . 1 . . . . 31 Lys CE . 15847 1 394 . 1 1 31 31 LYS CG C 13 25.467 . . 1 . . . . 31 Lys CG . 15847 1 395 . 1 1 31 31 LYS N N 15 121.268 . . 1 . . . . 31 Lys N . 15847 1 396 . 1 1 32 32 ALA H H 1 7.495 . . 1 . . . . 32 Ala H . 15847 1 397 . 1 1 32 32 ALA HA H 1 4.201 . . 1 . . . . 32 Ala HA . 15847 1 398 . 1 1 32 32 ALA HB1 H 1 1.544 . . 1 . . . . 32 Ala HB . 15847 1 399 . 1 1 32 32 ALA HB2 H 1 1.544 . . 1 . . . . 32 Ala HB . 15847 1 400 . 1 1 32 32 ALA HB3 H 1 1.544 . . 1 . . . . 32 Ala HB . 15847 1 401 . 1 1 32 32 ALA C C 13 180.396 . . 1 . . . . 32 Ala C . 15847 1 402 . 1 1 32 32 ALA CA C 13 54.978 . . 1 . . . . 32 Ala CA . 15847 1 403 . 1 1 32 32 ALA CB C 13 18.948 . . 1 . . . . 32 Ala CB . 15847 1 404 . 1 1 32 32 ALA N N 15 122.386 . . 1 . . . . 32 Ala N . 15847 1 405 . 1 1 33 33 ILE H H 1 8.780 . . 1 . . . . 33 Ile H . 15847 1 406 . 1 1 33 33 ILE HA H 1 3.742 . . 1 . . . . 33 Ile HA . 15847 1 407 . 1 1 33 33 ILE HB H 1 2.029 . . 1 . . . . 33 Ile HB . 15847 1 408 . 1 1 33 33 ILE HD11 H 1 0.969 . . 1 . . . . 33 Ile HD1 . 15847 1 409 . 1 1 33 33 ILE HD12 H 1 0.969 . . 1 . . . . 33 Ile HD1 . 15847 1 410 . 1 1 33 33 ILE HD13 H 1 0.969 . . 1 . . . . 33 Ile HD1 . 15847 1 411 . 1 1 33 33 ILE HG12 H 1 1.916 . . 2 . . . . 33 Ile HG12 . 15847 1 412 . 1 1 33 33 ILE HG13 H 1 0.649 . . 2 . . . . 33 Ile HG13 . 15847 1 413 . 1 1 33 33 ILE HG21 H 1 0.639 . . 1 . . . . 33 Ile HG2 . 15847 1 414 . 1 1 33 33 ILE HG22 H 1 0.639 . . 1 . . . . 33 Ile HG2 . 15847 1 415 . 1 1 33 33 ILE HG23 H 1 0.639 . . 1 . . . . 33 Ile HG2 . 15847 1 416 . 1 1 33 33 ILE C C 13 180.373 . . 1 . . . . 33 Ile C . 15847 1 417 . 1 1 33 33 ILE CA C 13 65.286 . . 1 . . . . 33 Ile CA . 15847 1 418 . 1 1 33 33 ILE CB C 13 38.165 . . 1 . . . . 33 Ile CB . 15847 1 419 . 1 1 33 33 ILE CD1 C 13 14.594 . . 1 . . . . 33 Ile CD1 . 15847 1 420 . 1 1 33 33 ILE CG1 C 13 30.123 . . 1 . . . . 33 Ile CG1 . 15847 1 421 . 1 1 33 33 ILE CG2 C 13 15.382 . . 1 . . . . 33 Ile CG2 . 15847 1 422 . 1 1 33 33 ILE N N 15 122.030 . . 1 . . . . 33 Ile N . 15847 1 423 . 1 1 34 34 VAL H H 1 8.035 . . 1 . . . . 34 Val H . 15847 1 424 . 1 1 34 34 VAL HA H 1 3.928 . . 1 . . . . 34 Val HA . 15847 1 425 . 1 1 34 34 VAL HB H 1 2.246 . . 1 . . . . 34 Val HB . 15847 1 426 . 1 1 34 34 VAL HG11 H 1 1.005 . . 1 . . . . 34 Val HG1 . 15847 1 427 . 1 1 34 34 VAL HG12 H 1 1.005 . . 1 . . . . 34 Val HG1 . 15847 1 428 . 1 1 34 34 VAL HG13 H 1 1.005 . . 1 . . . . 34 Val HG1 . 15847 1 429 . 1 1 34 34 VAL HG21 H 1 1.091 . . 1 . . . . 34 Val HG2 . 15847 1 430 . 1 1 34 34 VAL HG22 H 1 1.091 . . 1 . . . . 34 Val HG2 . 15847 1 431 . 1 1 34 34 VAL HG23 H 1 1.091 . . 1 . . . . 34 Val HG2 . 15847 1 432 . 1 1 34 34 VAL C C 13 177.360 . . 1 . . . . 34 Val C . 15847 1 433 . 1 1 34 34 VAL CA C 13 65.122 . . 1 . . . . 34 Val CA . 15847 1 434 . 1 1 34 34 VAL CB C 13 31.680 . . 1 . . . . 34 Val CB . 15847 1 435 . 1 1 34 34 VAL CG1 C 13 21.125 . . 1 . . . . 34 Val CG1 . 15847 1 436 . 1 1 34 34 VAL CG2 C 13 21.538 . . 1 . . . . 34 Val CG2 . 15847 1 437 . 1 1 34 34 VAL N N 15 117.900 . . 1 . . . . 34 Val N . 15847 1 438 . 1 1 35 35 SER H H 1 7.650 . . 1 . . . . 35 Ser H . 15847 1 439 . 1 1 35 35 SER HA H 1 4.484 . . 1 . . . . 35 Ser HA . 15847 1 440 . 1 1 35 35 SER HB2 H 1 4.137 . . 2 . . . . 35 Ser HB2 . 15847 1 441 . 1 1 35 35 SER HB3 H 1 4.045 . . 2 . . . . 35 Ser HB3 . 15847 1 442 . 1 1 35 35 SER C C 13 175.254 . . 1 . . . . 35 Ser C . 15847 1 443 . 1 1 35 35 SER CA C 13 60.069 . . 1 . . . . 35 Ser CA . 15847 1 444 . 1 1 35 35 SER CB C 13 64.354 . . 1 . . . . 35 Ser CB . 15847 1 445 . 1 1 35 35 SER N N 15 114.977 . . 1 . . . . 35 Ser N . 15847 1 446 . 1 1 36 36 GLY H H 1 7.942 . . 1 . . . . 36 Gly H . 15847 1 447 . 1 1 36 36 GLY HA2 H 1 4.102 . . 2 . . . . 36 Gly HA2 . 15847 1 448 . 1 1 36 36 GLY HA3 H 1 4.102 . . 2 . . . . 36 Gly HA3 . 15847 1 449 . 1 1 36 36 GLY C C 13 174.739 . . 1 . . . . 36 Gly C . 15847 1 450 . 1 1 36 36 GLY CA C 13 45.966 . . 1 . . . . 36 Gly CA . 15847 1 451 . 1 1 36 36 GLY N N 15 109.725 . . 1 . . . . 36 Gly N . 15847 1 452 . 1 1 37 37 THR H H 1 7.469 . . 1 . . . . 37 Thr H . 15847 1 453 . 1 1 37 37 THR HA H 1 4.432 . . 1 . . . . 37 Thr HA . 15847 1 454 . 1 1 37 37 THR HB H 1 4.405 . . 1 . . . . 37 Thr HB . 15847 1 455 . 1 1 37 37 THR HG21 H 1 1.089 . . 1 . . . . 37 Thr HG2 . 15847 1 456 . 1 1 37 37 THR HG22 H 1 1.089 . . 1 . . . . 37 Thr HG2 . 15847 1 457 . 1 1 37 37 THR HG23 H 1 1.089 . . 1 . . . . 37 Thr HG2 . 15847 1 458 . 1 1 37 37 THR C C 13 174.481 . . 1 . . . . 37 Thr C . 15847 1 459 . 1 1 37 37 THR CA C 13 61.160 . . 1 . . . . 37 Thr CA . 15847 1 460 . 1 1 37 37 THR CB C 13 69.826 . . 1 . . . . 37 Thr CB . 15847 1 461 . 1 1 37 37 THR CG2 C 13 21.336 . . 1 . . . . 37 Thr CG2 . 15847 1 462 . 1 1 37 37 THR N N 15 108.221 . . 1 . . . . 37 Thr N . 15847 1 463 . 1 1 38 38 VAL H H 1 8.870 . . 1 . . . . 38 Val H . 15847 1 464 . 1 1 38 38 VAL HA H 1 3.840 . . 1 . . . . 38 Val HA . 15847 1 465 . 1 1 38 38 VAL HB H 1 2.051 . . 1 . . . . 38 Val HB . 15847 1 466 . 1 1 38 38 VAL HG11 H 1 0.593 . . 1 . . . . 38 Val HG1 . 15847 1 467 . 1 1 38 38 VAL HG12 H 1 0.593 . . 1 . . . . 38 Val HG1 . 15847 1 468 . 1 1 38 38 VAL HG13 H 1 0.593 . . 1 . . . . 38 Val HG1 . 15847 1 469 . 1 1 38 38 VAL HG21 H 1 0.692 . . 1 . . . . 38 Val HG2 . 15847 1 470 . 1 1 38 38 VAL HG22 H 1 0.692 . . 1 . . . . 38 Val HG2 . 15847 1 471 . 1 1 38 38 VAL HG23 H 1 0.692 . . 1 . . . . 38 Val HG2 . 15847 1 472 . 1 1 38 38 VAL C C 13 174.289 . . 1 . . . . 38 Val C . 15847 1 473 . 1 1 38 38 VAL CA C 13 63.110 . . 1 . . . . 38 Val CA . 15847 1 474 . 1 1 38 38 VAL CB C 13 32.139 . . 1 . . . . 38 Val CB . 15847 1 475 . 1 1 38 38 VAL CG1 C 13 22.436 . . 1 . . . . 38 Val CG1 . 15847 1 476 . 1 1 38 38 VAL CG2 C 13 22.847 . . 1 . . . . 38 Val CG2 . 15847 1 477 . 1 1 38 38 VAL N N 15 125.638 . . 1 . . . . 38 Val N . 15847 1 478 . 1 1 39 39 GLN H H 1 9.069 . . 1 . . . . 39 Gln H . 15847 1 479 . 1 1 39 39 GLN HA H 1 5.098 . . 1 . . . . 39 Gln HA . 15847 1 480 . 1 1 39 39 GLN HB2 H 1 1.853 . . 2 . . . . 39 Gln HB2 . 15847 1 481 . 1 1 39 39 GLN HB3 H 1 2.072 . . 2 . . . . 39 Gln HB3 . 15847 1 482 . 1 1 39 39 GLN HG2 H 1 2.168 . . 2 . . . . 39 Gln HG2 . 15847 1 483 . 1 1 39 39 GLN HG3 H 1 2.129 . . 2 . . . . 39 Gln HG3 . 15847 1 484 . 1 1 39 39 GLN C C 13 178.302 . . 1 . . . . 39 Gln C . 15847 1 485 . 1 1 39 39 GLN CA C 13 54.074 . . 1 . . . . 39 Gln CA . 15847 1 486 . 1 1 39 39 GLN CB C 13 32.531 . . 1 . . . . 39 Gln CB . 15847 1 487 . 1 1 39 39 GLN CG C 13 34.514 . . 1 . . . . 39 Gln CG . 15847 1 488 . 1 1 39 39 GLN N N 15 125.754 . . 1 . . . . 39 Gln N . 15847 1 489 . 1 1 40 40 ARG H H 1 9.157 . . 1 . . . . 40 Arg H . 15847 1 490 . 1 1 40 40 ARG HA H 1 4.654 . . 1 . . . . 40 Arg HA . 15847 1 491 . 1 1 40 40 ARG HB2 H 1 2.025 . . 2 . . . . 40 Arg HB2 . 15847 1 492 . 1 1 40 40 ARG HB3 H 1 2.025 . . 2 . . . . 40 Arg HB3 . 15847 1 493 . 1 1 40 40 ARG HD2 H 1 3.168 . . 2 . . . . 40 Arg HD2 . 15847 1 494 . 1 1 40 40 ARG HD3 H 1 3.168 . . 2 . . . . 40 Arg HD3 . 15847 1 495 . 1 1 40 40 ARG HG2 H 1 1.504 . . 2 . . . . 40 Arg HG2 . 15847 1 496 . 1 1 40 40 ARG HG3 H 1 1.444 . . 2 . . . . 40 Arg HG3 . 15847 1 497 . 1 1 40 40 ARG C C 13 178.897 . . 1 . . . . 40 Arg C . 15847 1 498 . 1 1 40 40 ARG CA C 13 55.958 . . 1 . . . . 40 Arg CA . 15847 1 499 . 1 1 40 40 ARG CB C 13 31.229 . . 1 . . . . 40 Arg CB . 15847 1 500 . 1 1 40 40 ARG CD C 13 43.804 . . 1 . . . . 40 Arg CD . 15847 1 501 . 1 1 40 40 ARG CG C 13 26.891 . . 1 . . . . 40 Arg CG . 15847 1 502 . 1 1 40 40 ARG N N 15 121.720 . . 1 . . . . 40 Arg N . 15847 1 503 . 1 1 41 41 ALA H H 1 8.561 . . 1 . . . . 41 Ala H . 15847 1 504 . 1 1 41 41 ALA HA H 1 3.983 . . 1 . . . . 41 Ala HA . 15847 1 505 . 1 1 41 41 ALA HB1 H 1 1.503 . . 1 . . . . 41 Ala HB . 15847 1 506 . 1 1 41 41 ALA HB2 H 1 1.503 . . 1 . . . . 41 Ala HB . 15847 1 507 . 1 1 41 41 ALA HB3 H 1 1.503 . . 1 . . . . 41 Ala HB . 15847 1 508 . 1 1 41 41 ALA C C 13 178.419 . . 1 . . . . 41 Ala C . 15847 1 509 . 1 1 41 41 ALA CA C 13 55.547 . . 1 . . . . 41 Ala CA . 15847 1 510 . 1 1 41 41 ALA CB C 13 18.453 . . 1 . . . . 41 Ala CB . 15847 1 511 . 1 1 41 41 ALA N N 15 125.688 . . 1 . . . . 41 Ala N . 15847 1 512 . 1 1 42 42 ASP H H 1 7.872 . . 1 . . . . 42 Asp H . 15847 1 513 . 1 1 42 42 ASP HA H 1 4.474 . . 1 . . . . 42 Asp HA . 15847 1 514 . 1 1 42 42 ASP HB2 H 1 3.082 . . 2 . . . . 42 Asp HB2 . 15847 1 515 . 1 1 42 42 ASP HB3 H 1 2.664 . . 2 . . . . 42 Asp HB3 . 15847 1 516 . 1 1 42 42 ASP C C 13 177.252 . . 1 . . . . 42 Asp C . 15847 1 517 . 1 1 42 42 ASP CA C 13 53.803 . . 1 . . . . 42 Asp CA . 15847 1 518 . 1 1 42 42 ASP CB C 13 39.744 . . 1 . . . . 42 Asp CB . 15847 1 519 . 1 1 42 42 ASP N N 15 115.215 . . 1 . . . . 42 Asp N . 15847 1 520 . 1 1 43 43 GLY H H 1 8.361 . . 1 . . . . 43 Gly H . 15847 1 521 . 1 1 43 43 GLY HA2 H 1 4.333 . . 2 . . . . 43 Gly HA2 . 15847 1 522 . 1 1 43 43 GLY HA3 H 1 3.632 . . 2 . . . . 43 Gly HA3 . 15847 1 523 . 1 1 43 43 GLY C C 13 174.365 . . 1 . . . . 43 Gly C . 15847 1 524 . 1 1 43 43 GLY CA C 13 44.845 . . 1 . . . . 43 Gly CA . 15847 1 525 . 1 1 43 43 GLY N N 15 109.604 . . 1 . . . . 43 Gly N . 15847 1 526 . 1 1 44 44 SER H H 1 8.398 . . 1 . . . . 44 Ser H . 15847 1 527 . 1 1 44 44 SER HA H 1 4.286 . . 1 . . . . 44 Ser HA . 15847 1 528 . 1 1 44 44 SER HB2 H 1 3.871 . . 2 . . . . 44 Ser HB2 . 15847 1 529 . 1 1 44 44 SER HB3 H 1 3.871 . . 2 . . . . 44 Ser HB3 . 15847 1 530 . 1 1 44 44 SER C C 13 173.222 . . 1 . . . . 44 Ser C . 15847 1 531 . 1 1 44 44 SER CA C 13 58.667 . . 1 . . . . 44 Ser CA . 15847 1 532 . 1 1 44 44 SER CB C 13 63.787 . . 1 . . . . 44 Ser CB . 15847 1 533 . 1 1 44 44 SER N N 15 118.246 . . 1 . . . . 44 Ser N . 15847 1 534 . 1 1 45 45 ILE H H 1 8.487 . . 1 . . . . 45 Ile H . 15847 1 535 . 1 1 45 45 ILE HA H 1 4.249 . . 1 . . . . 45 Ile HA . 15847 1 536 . 1 1 45 45 ILE HB H 1 1.825 . . 1 . . . . 45 Ile HB . 15847 1 537 . 1 1 45 45 ILE HD11 H 1 0.722 . . 1 . . . . 45 Ile HD1 . 15847 1 538 . 1 1 45 45 ILE HD12 H 1 0.722 . . 1 . . . . 45 Ile HD1 . 15847 1 539 . 1 1 45 45 ILE HD13 H 1 0.722 . . 1 . . . . 45 Ile HD1 . 15847 1 540 . 1 1 45 45 ILE HG12 H 1 1.465 . . 2 . . . . 45 Ile HG12 . 15847 1 541 . 1 1 45 45 ILE HG13 H 1 1.285 . . 2 . . . . 45 Ile HG13 . 15847 1 542 . 1 1 45 45 ILE HG21 H 1 0.726 . . 1 . . . . 45 Ile HG2 . 15847 1 543 . 1 1 45 45 ILE HG22 H 1 0.726 . . 1 . . . . 45 Ile HG2 . 15847 1 544 . 1 1 45 45 ILE HG23 H 1 0.726 . . 1 . . . . 45 Ile HG2 . 15847 1 545 . 1 1 45 45 ILE C C 13 176.562 . . 1 . . . . 45 Ile C . 15847 1 546 . 1 1 45 45 ILE CA C 13 60.004 . . 1 . . . . 45 Ile CA . 15847 1 547 . 1 1 45 45 ILE CB C 13 38.481 . . 1 . . . . 45 Ile CB . 15847 1 548 . 1 1 45 45 ILE CD1 C 13 11.146 . . 1 . . . . 45 Ile CD1 . 15847 1 549 . 1 1 45 45 ILE CG1 C 13 27.859 . . 1 . . . . 45 Ile CG1 . 15847 1 550 . 1 1 45 45 ILE CG2 C 13 17.502 . . 1 . . . . 45 Ile CG2 . 15847 1 551 . 1 1 45 45 ILE N N 15 121.564 . . 1 . . . . 45 Ile N . 15847 1 552 . 1 1 46 46 GLN H H 1 8.645 . . 1 . . . . 46 Gln H . 15847 1 553 . 1 1 46 46 GLN HA H 1 4.254 . . 1 . . . . 46 Gln HA . 15847 1 554 . 1 1 46 46 GLN HB2 H 1 1.847 . . 2 . . . . 46 Gln HB2 . 15847 1 555 . 1 1 46 46 GLN HB3 H 1 1.745 . . 2 . . . . 46 Gln HB3 . 15847 1 556 . 1 1 46 46 GLN HE21 H 1 7.131 . . 2 . . . . 46 Gln HE21 . 15847 1 557 . 1 1 46 46 GLN HE22 H 1 7.257 . . 2 . . . . 46 Gln HE22 . 15847 1 558 . 1 1 46 46 GLN HG2 H 1 2.047 . . 2 . . . . 46 Gln HG2 . 15847 1 559 . 1 1 46 46 GLN HG3 H 1 2.047 . . 2 . . . . 46 Gln HG3 . 15847 1 560 . 1 1 46 46 GLN C C 13 173.381 . . 1 . . . . 46 Gln C . 15847 1 561 . 1 1 46 46 GLN CA C 13 53.797 . . 1 . . . . 46 Gln CA . 15847 1 562 . 1 1 46 46 GLN CB C 13 27.691 . . 1 . . . . 46 Gln CB . 15847 1 563 . 1 1 46 46 GLN CG C 13 33.297 . . 1 . . . . 46 Gln CG . 15847 1 564 . 1 1 46 46 GLN N N 15 127.240 . . 1 . . . . 46 Gln N . 15847 1 565 . 1 1 46 46 GLN NE2 N 15 111.665 . . 1 . . . . 46 Gln NE2 . 15847 1 566 . 1 1 47 47 ASN H H 1 8.509 . . 1 . . . . 47 Asn H . 15847 1 567 . 1 1 47 47 ASN HA H 1 4.885 . . 1 . . . . 47 Asn HA . 15847 1 568 . 1 1 47 47 ASN HB2 H 1 2.840 . . 2 . . . . 47 Asn HB2 . 15847 1 569 . 1 1 47 47 ASN HB3 H 1 2.640 . . 2 . . . . 47 Asn HB3 . 15847 1 570 . 1 1 47 47 ASN HD21 H 1 7.607 . . 2 . . . . 47 Asn HD21 . 15847 1 571 . 1 1 47 47 ASN HD22 H 1 6.878 . . 2 . . . . 47 Asn HD22 . 15847 1 572 . 1 1 47 47 ASN C C 13 174.872 . . 1 . . . . 47 Asn C . 15847 1 573 . 1 1 47 47 ASN CA C 13 53.484 . . 1 . . . . 47 Asn CA . 15847 1 574 . 1 1 47 47 ASN CB C 13 40.003 . . 1 . . . . 47 Asn CB . 15847 1 575 . 1 1 47 47 ASN N N 15 125.150 . . 1 . . . . 47 Asn N . 15847 1 576 . 1 1 47 47 ASN ND2 N 15 112.507 . . 1 . . . . 47 Asn ND2 . 15847 1 577 . 1 1 48 48 GLN H H 1 7.236 . . 1 . . . . 48 Gln H . 15847 1 578 . 1 1 48 48 GLN HA H 1 4.550 . . 1 . . . . 48 Gln HA . 15847 1 579 . 1 1 48 48 GLN HB2 H 1 2.058 . . 2 . . . . 48 Gln HB2 . 15847 1 580 . 1 1 48 48 GLN HB3 H 1 1.854 . . 2 . . . . 48 Gln HB3 . 15847 1 581 . 1 1 48 48 GLN HE21 H 1 7.510 . . 2 . . . . 48 Gln HE21 . 15847 1 582 . 1 1 48 48 GLN HE22 H 1 6.787 . . 2 . . . . 48 Gln HE22 . 15847 1 583 . 1 1 48 48 GLN HG2 H 1 2.430 . . 2 . . . . 48 Gln HG2 . 15847 1 584 . 1 1 48 48 GLN HG3 H 1 2.430 . . 2 . . . . 48 Gln HG3 . 15847 1 585 . 1 1 48 48 GLN C C 13 175.624 . . 1 . . . . 48 Gln C . 15847 1 586 . 1 1 48 48 GLN CA C 13 54.827 . . 1 . . . . 48 Gln CA . 15847 1 587 . 1 1 48 48 GLN CB C 13 30.897 . . 1 . . . . 48 Gln CB . 15847 1 588 . 1 1 48 48 GLN CG C 13 33.715 . . 1 . . . . 48 Gln CG . 15847 1 589 . 1 1 48 48 GLN N N 15 117.853 . . 1 . . . . 48 Gln N . 15847 1 590 . 1 1 48 48 GLN NE2 N 15 111.309 . . 1 . . . . 48 Gln NE2 . 15847 1 591 . 1 1 49 49 SER H H 1 8.454 . . 1 . . . . 49 Ser H . 15847 1 592 . 1 1 49 49 SER HA H 1 4.163 . . 1 . . . . 49 Ser HA . 15847 1 593 . 1 1 49 49 SER HB2 H 1 3.585 . . 2 . . . . 49 Ser HB2 . 15847 1 594 . 1 1 49 49 SER HB3 H 1 3.585 . . 2 . . . . 49 Ser HB3 . 15847 1 595 . 1 1 49 49 SER C C 13 173.495 . . 1 . . . . 49 Ser C . 15847 1 596 . 1 1 49 49 SER CA C 13 59.373 . . 1 . . . . 49 Ser CA . 15847 1 597 . 1 1 49 49 SER CB C 13 63.391 . . 1 . . . . 49 Ser CB . 15847 1 598 . 1 1 49 49 SER N N 15 119.400 . . 1 . . . . 49 Ser N . 15847 1 599 . 1 1 50 50 LEU H H 1 9.414 . . 1 . . . . 50 Leu H . 15847 1 600 . 1 1 50 50 LEU HA H 1 4.629 . . 1 . . . . 50 Leu HA . 15847 1 601 . 1 1 50 50 LEU HB2 H 1 1.478 . . 2 . . . . 50 Leu HB2 . 15847 1 602 . 1 1 50 50 LEU HB3 H 1 1.583 . . 2 . . . . 50 Leu HB3 . 15847 1 603 . 1 1 50 50 LEU HD11 H 1 0.729 . . 1 . . . . 50 Leu HD1 . 15847 1 604 . 1 1 50 50 LEU HD12 H 1 0.729 . . 1 . . . . 50 Leu HD1 . 15847 1 605 . 1 1 50 50 LEU HD13 H 1 0.729 . . 1 . . . . 50 Leu HD1 . 15847 1 606 . 1 1 50 50 LEU HD21 H 1 0.859 . . 1 . . . . 50 Leu HD2 . 15847 1 607 . 1 1 50 50 LEU HD22 H 1 0.859 . . 1 . . . . 50 Leu HD2 . 15847 1 608 . 1 1 50 50 LEU HD23 H 1 0.859 . . 1 . . . . 50 Leu HD2 . 15847 1 609 . 1 1 50 50 LEU HG H 1 1.711 . . 1 . . . . 50 Leu HG . 15847 1 610 . 1 1 50 50 LEU CA C 13 53.895 . . 1 . . . . 50 Leu CA . 15847 1 611 . 1 1 50 50 LEU CB C 13 43.032 . . 1 . . . . 50 Leu CB . 15847 1 612 . 1 1 50 50 LEU CD1 C 13 26.081 . . 1 . . . . 50 Leu CD1 . 15847 1 613 . 1 1 50 50 LEU CD2 C 13 23.608 . . 1 . . . . 50 Leu CD2 . 15847 1 614 . 1 1 50 50 LEU CG C 13 27.157 . . 1 . . . . 50 Leu CG . 15847 1 615 . 1 1 50 50 LEU N N 15 122.605 . . 1 . . . . 50 Leu N . 15847 1 616 . 1 1 51 51 HIS HA H 1 4.575 . . 1 . . . . 51 His HA . 15847 1 617 . 1 1 51 51 HIS HB2 H 1 3.213 . . 2 . . . . 51 His HB2 . 15847 1 618 . 1 1 51 51 HIS HB3 H 1 3.213 . . 2 . . . . 51 His HB3 . 15847 1 619 . 1 1 51 51 HIS C C 13 174.330 . . 1 . . . . 51 His C . 15847 1 620 . 1 1 51 51 HIS CA C 13 57.132 . . 1 . . . . 51 His CA . 15847 1 621 . 1 1 51 51 HIS CB C 13 30.179 . . 1 . . . . 51 His CB . 15847 1 622 . 1 1 52 52 GLU H H 1 7.673 . . 1 . . . . 52 Glu H . 15847 1 623 . 1 1 52 52 GLU HA H 1 4.543 . . 1 . . . . 52 Glu HA . 15847 1 624 . 1 1 52 52 GLU HB2 H 1 1.768 . . 2 . . . . 52 Glu HB2 . 15847 1 625 . 1 1 52 52 GLU HB3 H 1 2.047 . . 2 . . . . 52 Glu HB3 . 15847 1 626 . 1 1 52 52 GLU HG2 H 1 2.041 . . 2 . . . . 52 Glu HG2 . 15847 1 627 . 1 1 52 52 GLU HG3 H 1 2.041 . . 2 . . . . 52 Glu HG3 . 15847 1 628 . 1 1 52 52 GLU C C 13 173.439 . . 1 . . . . 52 Glu C . 15847 1 629 . 1 1 52 52 GLU CA C 13 54.630 . . 1 . . . . 52 Glu CA . 15847 1 630 . 1 1 52 52 GLU CB C 13 32.729 . . 1 . . . . 52 Glu CB . 15847 1 631 . 1 1 52 52 GLU CG C 13 35.319 . . 1 . . . . 52 Glu CG . 15847 1 632 . 1 1 52 52 GLU N N 15 114.754 . . 1 . . . . 52 Glu N . 15847 1 633 . 1 1 53 53 ALA H H 1 9.153 . . 1 . . . . 53 Ala H . 15847 1 634 . 1 1 53 53 ALA HA H 1 4.641 . . 1 . . . . 53 Ala HA . 15847 1 635 . 1 1 53 53 ALA HB1 H 1 1.234 . . 1 . . . . 53 Ala HB . 15847 1 636 . 1 1 53 53 ALA HB2 H 1 1.234 . . 1 . . . . 53 Ala HB . 15847 1 637 . 1 1 53 53 ALA HB3 H 1 1.234 . . 1 . . . . 53 Ala HB . 15847 1 638 . 1 1 53 53 ALA C C 13 174.074 . . 1 . . . . 53 Ala C . 15847 1 639 . 1 1 53 53 ALA CA C 13 51.885 . . 1 . . . . 53 Ala CA . 15847 1 640 . 1 1 53 53 ALA CB C 13 22.797 . . 1 . . . . 53 Ala CB . 15847 1 641 . 1 1 53 53 ALA N N 15 121.732 . . 1 . . . . 53 Ala N . 15847 1 642 . 1 1 54 54 LEU H H 1 9.144 . . 1 . . . . 54 Leu H . 15847 1 643 . 1 1 54 54 LEU HA H 1 5.317 . . 1 . . . . 54 Leu HA . 15847 1 644 . 1 1 54 54 LEU HB2 H 1 1.778 . . 2 . . . . 54 Leu HB2 . 15847 1 645 . 1 1 54 54 LEU HB3 H 1 1.417 . . 2 . . . . 54 Leu HB3 . 15847 1 646 . 1 1 54 54 LEU HD11 H 1 0.677 . . 1 . . . . 54 Leu HD1 . 15847 1 647 . 1 1 54 54 LEU HD12 H 1 0.677 . . 1 . . . . 54 Leu HD1 . 15847 1 648 . 1 1 54 54 LEU HD13 H 1 0.677 . . 1 . . . . 54 Leu HD1 . 15847 1 649 . 1 1 54 54 LEU HD21 H 1 0.694 . . 1 . . . . 54 Leu HD2 . 15847 1 650 . 1 1 54 54 LEU HD22 H 1 0.694 . . 1 . . . . 54 Leu HD2 . 15847 1 651 . 1 1 54 54 LEU HD23 H 1 0.694 . . 1 . . . . 54 Leu HD2 . 15847 1 652 . 1 1 54 54 LEU HG H 1 1.516 . . 1 . . . . 54 Leu HG . 15847 1 653 . 1 1 54 54 LEU C C 13 175.176 . . 1 . . . . 54 Leu C . 15847 1 654 . 1 1 54 54 LEU CA C 13 52.596 . . 1 . . . . 54 Leu CA . 15847 1 655 . 1 1 54 54 LEU CB C 13 46.228 . . 1 . . . . 54 Leu CB . 15847 1 656 . 1 1 54 54 LEU CD1 C 13 26.818 . . 1 . . . . 54 Leu CD1 . 15847 1 657 . 1 1 54 54 LEU CD2 C 13 23.797 . . 1 . . . . 54 Leu CD2 . 15847 1 658 . 1 1 54 54 LEU CG C 13 26.845 . . 1 . . . . 54 Leu CG . 15847 1 659 . 1 1 54 54 LEU N N 15 118.786 . . 1 . . . . 54 Leu N . 15847 1 660 . 1 1 55 55 ILE H H 1 9.689 . . 1 . . . . 55 Ile H . 15847 1 661 . 1 1 55 55 ILE HA H 1 5.728 . . 1 . . . . 55 Ile HA . 15847 1 662 . 1 1 55 55 ILE HB H 1 1.601 . . 1 . . . . 55 Ile HB . 15847 1 663 . 1 1 55 55 ILE HD11 H 1 1.000 . . 1 . . . . 55 Ile HD1 . 15847 1 664 . 1 1 55 55 ILE HD12 H 1 1.000 . . 1 . . . . 55 Ile HD1 . 15847 1 665 . 1 1 55 55 ILE HD13 H 1 1.000 . . 1 . . . . 55 Ile HD1 . 15847 1 666 . 1 1 55 55 ILE HG12 H 1 1.903 . . 2 . . . . 55 Ile HG12 . 15847 1 667 . 1 1 55 55 ILE HG13 H 1 1.743 . . 2 . . . . 55 Ile HG13 . 15847 1 668 . 1 1 55 55 ILE HG21 H 1 0.933 . . 1 . . . . 55 Ile HG2 . 15847 1 669 . 1 1 55 55 ILE HG22 H 1 0.933 . . 1 . . . . 55 Ile HG2 . 15847 1 670 . 1 1 55 55 ILE HG23 H 1 0.933 . . 1 . . . . 55 Ile HG2 . 15847 1 671 . 1 1 55 55 ILE C C 13 174.665 . . 1 . . . . 55 Ile C . 15847 1 672 . 1 1 55 55 ILE CA C 13 57.758 . . 1 . . . . 55 Ile CA . 15847 1 673 . 1 1 55 55 ILE CB C 13 43.559 . . 1 . . . . 55 Ile CB . 15847 1 674 . 1 1 55 55 ILE CD1 C 13 15.495 . . 1 . . . . 55 Ile CD1 . 15847 1 675 . 1 1 55 55 ILE CG1 C 13 28.943 . . 1 . . . . 55 Ile CG1 . 15847 1 676 . 1 1 55 55 ILE CG2 C 13 15.051 . . 1 . . . . 55 Ile CG2 . 15847 1 677 . 1 1 55 55 ILE N N 15 119.389 . . 1 . . . . 55 Ile N . 15847 1 678 . 1 1 56 56 THR H H 1 8.430 . . 1 . . . . 56 Thr H . 15847 1 679 . 1 1 56 56 THR HA H 1 4.623 . . 1 . . . . 56 Thr HA . 15847 1 680 . 1 1 56 56 THR HB H 1 4.550 . . 1 . . . . 56 Thr HB . 15847 1 681 . 1 1 56 56 THR HG21 H 1 1.534 . . 1 . . . . 56 Thr HG2 . 15847 1 682 . 1 1 56 56 THR HG22 H 1 1.534 . . 1 . . . . 56 Thr HG2 . 15847 1 683 . 1 1 56 56 THR HG23 H 1 1.534 . . 1 . . . . 56 Thr HG2 . 15847 1 684 . 1 1 56 56 THR C C 13 178.543 . . 1 . . . . 56 Thr C . 15847 1 685 . 1 1 56 56 THR CA C 13 62.303 . . 1 . . . . 56 Thr CA . 15847 1 686 . 1 1 56 56 THR CB C 13 70.506 . . 1 . . . . 56 Thr CB . 15847 1 687 . 1 1 56 56 THR CG2 C 13 25.283 . . 1 . . . . 56 Thr CG2 . 15847 1 688 . 1 1 56 56 THR N N 15 117.368 . . 1 . . . . 56 Thr N . 15847 1 689 . 1 1 57 57 ARG H H 1 7.954 . . 1 . . . . 57 Arg H . 15847 1 690 . 1 1 57 57 ARG HA H 1 4.165 . . 1 . . . . 57 Arg HA . 15847 1 691 . 1 1 57 57 ARG HB2 H 1 2.070 . . 2 . . . . 57 Arg HB2 . 15847 1 692 . 1 1 57 57 ARG HB3 H 1 1.891 . . 2 . . . . 57 Arg HB3 . 15847 1 693 . 1 1 57 57 ARG HD2 H 1 3.212 . . 2 . . . . 57 Arg HD2 . 15847 1 694 . 1 1 57 57 ARG HD3 H 1 3.212 . . 2 . . . . 57 Arg HD3 . 15847 1 695 . 1 1 57 57 ARG HG2 H 1 1.723 . . 2 . . . . 57 Arg HG2 . 15847 1 696 . 1 1 57 57 ARG HG3 H 1 1.723 . . 2 . . . . 57 Arg HG3 . 15847 1 697 . 1 1 57 57 ARG C C 13 177.143 . . 1 . . . . 57 Arg C . 15847 1 698 . 1 1 57 57 ARG CA C 13 59.519 . . 1 . . . . 57 Arg CA . 15847 1 699 . 1 1 57 57 ARG CB C 13 30.222 . . 1 . . . . 57 Arg CB . 15847 1 700 . 1 1 57 57 ARG CD C 13 43.516 . . 1 . . . . 57 Arg CD . 15847 1 701 . 1 1 57 57 ARG CG C 13 26.339 . . 1 . . . . 57 Arg CG . 15847 1 702 . 1 1 57 57 ARG N N 15 123.477 . . 1 . . . . 57 Arg N . 15847 1 703 . 1 1 58 58 ASP H H 1 7.966 . . 1 . . . . 58 Asp H . 15847 1 704 . 1 1 58 58 ASP HA H 1 4.367 . . 1 . . . . 58 Asp HA . 15847 1 705 . 1 1 58 58 ASP HB2 H 1 3.068 . . 2 . . . . 58 Asp HB2 . 15847 1 706 . 1 1 58 58 ASP HB3 H 1 2.644 . . 2 . . . . 58 Asp HB3 . 15847 1 707 . 1 1 58 58 ASP C C 13 175.387 . . 1 . . . . 58 Asp C . 15847 1 708 . 1 1 58 58 ASP CA C 13 54.027 . . 1 . . . . 58 Asp CA . 15847 1 709 . 1 1 58 58 ASP CB C 13 39.774 . . 1 . . . . 58 Asp CB . 15847 1 710 . 1 1 58 58 ASP N N 15 115.030 . . 1 . . . . 58 Asp N . 15847 1 711 . 1 1 59 59 ARG H H 1 8.331 . . 1 . . . . 59 Arg H . 15847 1 712 . 1 1 59 59 ARG HA H 1 3.807 . . 1 . . . . 59 Arg HA . 15847 1 713 . 1 1 59 59 ARG HB2 H 1 2.151 . . 2 . . . . 59 Arg HB2 . 15847 1 714 . 1 1 59 59 ARG HB3 H 1 2.375 . . 2 . . . . 59 Arg HB3 . 15847 1 715 . 1 1 59 59 ARG HD2 H 1 3.326 . . 2 . . . . 59 Arg HD2 . 15847 1 716 . 1 1 59 59 ARG HD3 H 1 3.194 . . 2 . . . . 59 Arg HD3 . 15847 1 717 . 1 1 59 59 ARG HG2 H 1 1.760 . . 2 . . . . 59 Arg HG2 . 15847 1 718 . 1 1 59 59 ARG HG3 H 1 1.643 . . 2 . . . . 59 Arg HG3 . 15847 1 719 . 1 1 59 59 ARG C C 13 176.024 . . 1 . . . . 59 Arg C . 15847 1 720 . 1 1 59 59 ARG CA C 13 57.015 . . 1 . . . . 59 Arg CA . 15847 1 721 . 1 1 59 59 ARG CB C 13 26.671 . . 1 . . . . 59 Arg CB . 15847 1 722 . 1 1 59 59 ARG CD C 13 42.762 . . 1 . . . . 59 Arg CD . 15847 1 723 . 1 1 59 59 ARG CG C 13 26.791 . . 1 . . . . 59 Arg CG . 15847 1 724 . 1 1 59 59 ARG N N 15 112.412 . . 1 . . . . 59 Arg N . 15847 1 725 . 1 1 60 60 LYS H H 1 8.062 . . 1 . . . . 60 Lys H . 15847 1 726 . 1 1 60 60 LYS HA H 1 4.107 . . 1 . . . . 60 Lys HA . 15847 1 727 . 1 1 60 60 LYS HB2 H 1 1.960 . . 2 . . . . 60 Lys HB2 . 15847 1 728 . 1 1 60 60 LYS HB3 H 1 1.737 . . 2 . . . . 60 Lys HB3 . 15847 1 729 . 1 1 60 60 LYS HD2 H 1 1.571 . . 2 . . . . 60 Lys HD2 . 15847 1 730 . 1 1 60 60 LYS HD3 H 1 1.571 . . 2 . . . . 60 Lys HD3 . 15847 1 731 . 1 1 60 60 LYS HE2 H 1 2.929 . . 2 . . . . 60 Lys HE2 . 15847 1 732 . 1 1 60 60 LYS HE3 H 1 2.929 . . 2 . . . . 60 Lys HE3 . 15847 1 733 . 1 1 60 60 LYS HG2 H 1 1.272 . . 2 . . . . 60 Lys HG2 . 15847 1 734 . 1 1 60 60 LYS HG3 H 1 1.273 . . 2 . . . . 60 Lys HG3 . 15847 1 735 . 1 1 60 60 LYS C C 13 178.445 . . 1 . . . . 60 Lys C . 15847 1 736 . 1 1 60 60 LYS CA C 13 58.539 . . 1 . . . . 60 Lys CA . 15847 1 737 . 1 1 60 60 LYS CB C 13 33.936 . . 1 . . . . 60 Lys CB . 15847 1 738 . 1 1 60 60 LYS CD C 13 28.905 . . 1 . . . . 60 Lys CD . 15847 1 739 . 1 1 60 60 LYS CE C 13 42.253 . . 1 . . . . 60 Lys CE . 15847 1 740 . 1 1 60 60 LYS CG C 13 25.932 . . 1 . . . . 60 Lys CG . 15847 1 741 . 1 1 60 60 LYS N N 15 115.493 . . 1 . . . . 60 Lys N . 15847 1 742 . 1 1 61 61 GLN H H 1 7.697 . . 1 . . . . 61 Gln H . 15847 1 743 . 1 1 61 61 GLN HA H 1 4.989 . . 1 . . . . 61 Gln HA . 15847 1 744 . 1 1 61 61 GLN HB2 H 1 1.515 . . 2 . . . . 61 Gln HB2 . 15847 1 745 . 1 1 61 61 GLN HB3 H 1 2.044 . . 2 . . . . 61 Gln HB3 . 15847 1 746 . 1 1 61 61 GLN HG2 H 1 2.056 . . 2 . . . . 61 Gln HG2 . 15847 1 747 . 1 1 61 61 GLN HG3 H 1 2.056 . . 2 . . . . 61 Gln HG3 . 15847 1 748 . 1 1 61 61 GLN C C 13 173.182 . . 1 . . . . 61 Gln C . 15847 1 749 . 1 1 61 61 GLN CA C 13 55.041 . . 1 . . . . 61 Gln CA . 15847 1 750 . 1 1 61 61 GLN CB C 13 34.058 . . 1 . . . . 61 Gln CB . 15847 1 751 . 1 1 61 61 GLN CG C 13 34.104 . . 1 . . . . 61 Gln CG . 15847 1 752 . 1 1 61 61 GLN N N 15 117.171 . . 1 . . . . 61 Gln N . 15847 1 753 . 1 1 62 62 VAL H H 1 8.740 . . 1 . . . . 62 Val H . 15847 1 754 . 1 1 62 62 VAL HA H 1 5.120 . . 1 . . . . 62 Val HA . 15847 1 755 . 1 1 62 62 VAL HB H 1 1.655 . . 1 . . . . 62 Val HB . 15847 1 756 . 1 1 62 62 VAL HG11 H 1 0.719 . . 1 . . . . 62 Val HG1 . 15847 1 757 . 1 1 62 62 VAL HG12 H 1 0.719 . . 1 . . . . 62 Val HG1 . 15847 1 758 . 1 1 62 62 VAL HG13 H 1 0.719 . . 1 . . . . 62 Val HG1 . 15847 1 759 . 1 1 62 62 VAL HG21 H 1 0.688 . . 1 . . . . 62 Val HG2 . 15847 1 760 . 1 1 62 62 VAL HG22 H 1 0.688 . . 1 . . . . 62 Val HG2 . 15847 1 761 . 1 1 62 62 VAL HG23 H 1 0.688 . . 1 . . . . 62 Val HG2 . 15847 1 762 . 1 1 62 62 VAL C C 13 174.163 . . 1 . . . . 62 Val C . 15847 1 763 . 1 1 62 62 VAL CA C 13 59.565 . . 1 . . . . 62 Val CA . 15847 1 764 . 1 1 62 62 VAL CB C 13 34.431 . . 1 . . . . 62 Val CB . 15847 1 765 . 1 1 62 62 VAL CG1 C 13 21.556 . . 1 . . . . 62 Val CG1 . 15847 1 766 . 1 1 62 62 VAL CG2 C 13 22.807 . . 1 . . . . 62 Val CG2 . 15847 1 767 . 1 1 62 62 VAL N N 15 121.054 . . 1 . . . . 62 Val N . 15847 1 768 . 1 1 63 63 PHE H H 1 8.982 . . 1 . . . . 63 Phe H . 15847 1 769 . 1 1 63 63 PHE HA H 1 4.950 . . 1 . . . . 63 Phe HA . 15847 1 770 . 1 1 63 63 PHE HB2 H 1 3.128 . . 2 . . . . 63 Phe HB2 . 15847 1 771 . 1 1 63 63 PHE HB3 H 1 2.314 . . 2 . . . . 63 Phe HB3 . 15847 1 772 . 1 1 63 63 PHE HD1 H 1 7.221 . . 2 . . . . 63 Phe HD1 . 15847 1 773 . 1 1 63 63 PHE HD2 H 1 7.221 . . 2 . . . . 63 Phe HD2 . 15847 1 774 . 1 1 63 63 PHE HE1 H 1 6.994 . . 2 . . . . 63 Phe HE1 . 15847 1 775 . 1 1 63 63 PHE HE2 H 1 6.994 . . 2 . . . . 63 Phe HE2 . 15847 1 776 . 1 1 63 63 PHE C C 13 174.955 . . 1 . . . . 63 Phe C . 15847 1 777 . 1 1 63 63 PHE CA C 13 56.253 . . 1 . . . . 63 Phe CA . 15847 1 778 . 1 1 63 63 PHE CB C 13 42.096 . . 1 . . . . 63 Phe CB . 15847 1 779 . 1 1 63 63 PHE CD1 C 13 132.217 . . 2 . . . . 63 Phe CD1 . 15847 1 780 . 1 1 63 63 PHE CD2 C 13 132.217 . . 2 . . . . 63 Phe CD2 . 15847 1 781 . 1 1 63 63 PHE CE1 C 13 130.548 . . 2 . . . . 63 Phe CE1 . 15847 1 782 . 1 1 63 63 PHE CE2 C 13 130.548 . . 2 . . . . 63 Phe CE2 . 15847 1 783 . 1 1 63 63 PHE N N 15 122.963 . . 1 . . . . 63 Phe N . 15847 1 784 . 1 1 64 64 ARG H H 1 9.458 . . 1 . . . . 64 Arg H . 15847 1 785 . 1 1 64 64 ARG HA H 1 4.413 . . 1 . . . . 64 Arg HA . 15847 1 786 . 1 1 64 64 ARG HB2 H 1 1.992 . . 2 . . . . 64 Arg HB2 . 15847 1 787 . 1 1 64 64 ARG HB3 H 1 1.660 . . 2 . . . . 64 Arg HB3 . 15847 1 788 . 1 1 64 64 ARG HD2 H 1 3.319 . . 2 . . . . 64 Arg HD2 . 15847 1 789 . 1 1 64 64 ARG HD3 H 1 3.319 . . 2 . . . . 64 Arg HD3 . 15847 1 790 . 1 1 64 64 ARG HG2 H 1 1.980 . . 2 . . . . 64 Arg HG2 . 15847 1 791 . 1 1 64 64 ARG HG3 H 1 1.980 . . 2 . . . . 64 Arg HG3 . 15847 1 792 . 1 1 64 64 ARG C C 13 173.503 . . 1 . . . . 64 Arg C . 15847 1 793 . 1 1 64 64 ARG CA C 13 55.470 . . 1 . . . . 64 Arg CA . 15847 1 794 . 1 1 64 64 ARG CB C 13 32.031 . . 1 . . . . 64 Arg CB . 15847 1 795 . 1 1 64 64 ARG CD C 13 43.222 . . 1 . . . . 64 Arg CD . 15847 1 796 . 1 1 64 64 ARG CG C 13 26.840 . . 1 . . . . 64 Arg CG . 15847 1 797 . 1 1 64 64 ARG N N 15 121.530 . . 1 . . . . 64 Arg N . 15847 1 798 . 1 1 65 65 ILE H H 1 7.928 . . 1 . . . . 65 Ile H . 15847 1 799 . 1 1 65 65 ILE HA H 1 4.303 . . 1 . . . . 65 Ile HA . 15847 1 800 . 1 1 65 65 ILE HB H 1 1.457 . . 1 . . . . 65 Ile HB . 15847 1 801 . 1 1 65 65 ILE HD11 H 1 0.596 . . 1 . . . . 65 Ile HD1 . 15847 1 802 . 1 1 65 65 ILE HD12 H 1 0.596 . . 1 . . . . 65 Ile HD1 . 15847 1 803 . 1 1 65 65 ILE HD13 H 1 0.596 . . 1 . . . . 65 Ile HD1 . 15847 1 804 . 1 1 65 65 ILE HG12 H 1 1.416 . . 2 . . . . 65 Ile HG12 . 15847 1 805 . 1 1 65 65 ILE HG13 H 1 1.417 . . 2 . . . . 65 Ile HG13 . 15847 1 806 . 1 1 65 65 ILE HG21 H 1 0.520 . . 1 . . . . 65 Ile HG2 . 15847 1 807 . 1 1 65 65 ILE HG22 H 1 0.520 . . 1 . . . . 65 Ile HG2 . 15847 1 808 . 1 1 65 65 ILE HG23 H 1 0.520 . . 1 . . . . 65 Ile HG2 . 15847 1 809 . 1 1 65 65 ILE C C 13 175.280 . . 1 . . . . 65 Ile C . 15847 1 810 . 1 1 65 65 ILE CA C 13 60.832 . . 1 . . . . 65 Ile CA . 15847 1 811 . 1 1 65 65 ILE CB C 13 39.728 . . 1 . . . . 65 Ile CB . 15847 1 812 . 1 1 65 65 ILE CD1 C 13 14.046 . . 1 . . . . 65 Ile CD1 . 15847 1 813 . 1 1 65 65 ILE CG1 C 13 28.271 . . 1 . . . . 65 Ile CG1 . 15847 1 814 . 1 1 65 65 ILE CG2 C 13 17.817 . . 1 . . . . 65 Ile CG2 . 15847 1 815 . 1 1 65 65 ILE N N 15 118.749 . . 1 . . . . 65 Ile N . 15847 1 816 . 1 1 66 66 GLU H H 1 8.509 . . 1 . . . . 66 Glu H . 15847 1 817 . 1 1 66 66 GLU HA H 1 4.681 . . 1 . . . . 66 Glu HA . 15847 1 818 . 1 1 66 66 GLU HB2 H 1 1.926 . . 2 . . . . 66 Glu HB2 . 15847 1 819 . 1 1 66 66 GLU HB3 H 1 1.745 . . 2 . . . . 66 Glu HB3 . 15847 1 820 . 1 1 66 66 GLU HG2 H 1 2.161 . . 2 . . . . 66 Glu HG2 . 15847 1 821 . 1 1 66 66 GLU HG3 H 1 2.161 . . 2 . . . . 66 Glu HG3 . 15847 1 822 . 1 1 66 66 GLU C C 13 175.857 . . 1 . . . . 66 Glu C . 15847 1 823 . 1 1 66 66 GLU CA C 13 54.877 . . 1 . . . . 66 Glu CA . 15847 1 824 . 1 1 66 66 GLU CB C 13 32.218 . . 1 . . . . 66 Glu CB . 15847 1 825 . 1 1 66 66 GLU CG C 13 36.091 . . 1 . . . . 66 Glu CG . 15847 1 826 . 1 1 66 66 GLU N N 15 127.959 . . 1 . . . . 66 Glu N . 15847 1 827 . 1 1 67 67 ASP H H 1 9.448 . . 1 . . . . 67 Asp H . 15847 1 828 . 1 1 67 67 ASP HA H 1 4.258 . . 1 . . . . 67 Asp HA . 15847 1 829 . 1 1 67 67 ASP HB2 H 1 2.925 . . 2 . . . . 67 Asp HB2 . 15847 1 830 . 1 1 67 67 ASP HB3 H 1 2.563 . . 2 . . . . 67 Asp HB3 . 15847 1 831 . 1 1 67 67 ASP C C 13 175.418 . . 1 . . . . 67 Asp C . 15847 1 832 . 1 1 67 67 ASP CA C 13 55.852 . . 1 . . . . 67 Asp CA . 15847 1 833 . 1 1 67 67 ASP CB C 13 39.486 . . 1 . . . . 67 Asp CB . 15847 1 834 . 1 1 67 67 ASP N N 15 128.873 . . 1 . . . . 67 Asp N . 15847 1 835 . 1 1 68 68 SER H H 1 8.466 . . 1 . . . . 68 Ser H . 15847 1 836 . 1 1 68 68 SER HA H 1 3.731 . . 1 . . . . 68 Ser HA . 15847 1 837 . 1 1 68 68 SER HB2 H 1 3.978 . . 2 . . . . 68 Ser HB2 . 15847 1 838 . 1 1 68 68 SER HB3 H 1 4.244 . . 2 . . . . 68 Ser HB3 . 15847 1 839 . 1 1 68 68 SER C C 13 172.612 . . 1 . . . . 68 Ser C . 15847 1 840 . 1 1 68 68 SER CA C 13 60.896 . . 1 . . . . 68 Ser CA . 15847 1 841 . 1 1 68 68 SER CB C 13 62.913 . . 1 . . . . 68 Ser CB . 15847 1 842 . 1 1 68 68 SER N N 15 105.808 . . 1 . . . . 68 Ser N . 15847 1 843 . 1 1 69 69 ILE H H 1 7.886 . . 1 . . . . 69 Ile H . 15847 1 844 . 1 1 69 69 ILE HA H 1 4.602 . . 1 . . . . 69 Ile HA . 15847 1 845 . 1 1 69 69 ILE HB H 1 2.039 . . 1 . . . . 69 Ile HB . 15847 1 846 . 1 1 69 69 ILE HD11 H 1 0.808 . . 1 . . . . 69 Ile HD1 . 15847 1 847 . 1 1 69 69 ILE HD12 H 1 0.808 . . 1 . . . . 69 Ile HD1 . 15847 1 848 . 1 1 69 69 ILE HD13 H 1 0.808 . . 1 . . . . 69 Ile HD1 . 15847 1 849 . 1 1 69 69 ILE HG12 H 1 1.504 . . 2 . . . . 69 Ile HG12 . 15847 1 850 . 1 1 69 69 ILE HG13 H 1 1.176 . . 2 . . . . 69 Ile HG13 . 15847 1 851 . 1 1 69 69 ILE HG21 H 1 0.907 . . 1 . . . . 69 Ile HG2 . 15847 1 852 . 1 1 69 69 ILE HG22 H 1 0.907 . . 1 . . . . 69 Ile HG2 . 15847 1 853 . 1 1 69 69 ILE HG23 H 1 0.907 . . 1 . . . . 69 Ile HG2 . 15847 1 854 . 1 1 69 69 ILE CA C 13 57.352 . . 1 . . . . 69 Ile CA . 15847 1 855 . 1 1 69 69 ILE CB C 13 39.340 . . 1 . . . . 69 Ile CB . 15847 1 856 . 1 1 69 69 ILE CD1 C 13 11.893 . . 1 . . . . 69 Ile CD1 . 15847 1 857 . 1 1 69 69 ILE CG1 C 13 26.672 . . 1 . . . . 69 Ile CG1 . 15847 1 858 . 1 1 69 69 ILE CG2 C 13 16.904 . . 1 . . . . 69 Ile CG2 . 15847 1 859 . 1 1 69 69 ILE N N 15 122.862 . . 1 . . . . 69 Ile N . 15847 1 860 . 1 1 70 70 PRO HA H 1 4.550 . . 1 . . . . 70 Pro HA . 15847 1 861 . 1 1 70 70 PRO HB2 H 1 1.791 . . 2 . . . . 70 Pro HB2 . 15847 1 862 . 1 1 70 70 PRO HB3 H 1 1.666 . . 2 . . . . 70 Pro HB3 . 15847 1 863 . 1 1 70 70 PRO HD2 H 1 3.881 . . 2 . . . . 70 Pro HD2 . 15847 1 864 . 1 1 70 70 PRO HD3 H 1 3.709 . . 2 . . . . 70 Pro HD3 . 15847 1 865 . 1 1 70 70 PRO HG2 H 1 2.027 . . 2 . . . . 70 Pro HG2 . 15847 1 866 . 1 1 70 70 PRO HG3 H 1 2.027 . . 2 . . . . 70 Pro HG3 . 15847 1 867 . 1 1 70 70 PRO C C 13 175.567 . . 1 . . . . 70 Pro C . 15847 1 868 . 1 1 70 70 PRO CA C 13 62.403 . . 1 . . . . 70 Pro CA . 15847 1 869 . 1 1 70 70 PRO CB C 13 32.100 . . 1 . . . . 70 Pro CB . 15847 1 870 . 1 1 70 70 PRO CD C 13 50.882 . . 1 . . . . 70 Pro CD . 15847 1 871 . 1 1 70 70 PRO CG C 13 26.908 . . 1 . . . . 70 Pro CG . 15847 1 872 . 1 1 71 71 VAL H H 1 8.850 . . 1 . . . . 71 Val H . 15847 1 873 . 1 1 71 71 VAL HA H 1 4.083 . . 1 . . . . 71 Val HA . 15847 1 874 . 1 1 71 71 VAL HB H 1 2.225 . . 1 . . . . 71 Val HB . 15847 1 875 . 1 1 71 71 VAL HG11 H 1 0.945 . . 1 . . . . 71 Val HG1 . 15847 1 876 . 1 1 71 71 VAL HG12 H 1 0.945 . . 1 . . . . 71 Val HG1 . 15847 1 877 . 1 1 71 71 VAL HG13 H 1 0.945 . . 1 . . . . 71 Val HG1 . 15847 1 878 . 1 1 71 71 VAL HG21 H 1 0.878 . . 1 . . . . 71 Val HG2 . 15847 1 879 . 1 1 71 71 VAL HG22 H 1 0.878 . . 1 . . . . 71 Val HG2 . 15847 1 880 . 1 1 71 71 VAL HG23 H 1 0.878 . . 1 . . . . 71 Val HG2 . 15847 1 881 . 1 1 71 71 VAL C C 13 176.104 . . 1 . . . . 71 Val C . 15847 1 882 . 1 1 71 71 VAL CA C 13 62.103 . . 1 . . . . 71 Val CA . 15847 1 883 . 1 1 71 71 VAL CB C 13 30.060 . . 1 . . . . 71 Val CB . 15847 1 884 . 1 1 71 71 VAL CG1 C 13 21.834 . . 1 . . . . 71 Val CG1 . 15847 1 885 . 1 1 71 71 VAL CG2 C 13 20.627 . . 1 . . . . 71 Val CG2 . 15847 1 886 . 1 1 71 71 VAL N N 15 126.684 . . 1 . . . . 71 Val N . 15847 1 887 . 1 1 72 72 LEU H H 1 8.119 . . 1 . . . . 72 Leu H . 15847 1 888 . 1 1 72 72 LEU HA H 1 4.210 . . 1 . . . . 72 Leu HA . 15847 1 889 . 1 1 72 72 LEU HB2 H 1 1.507 . . 2 . . . . 72 Leu HB2 . 15847 1 890 . 1 1 72 72 LEU HB3 H 1 1.054 . . 2 . . . . 72 Leu HB3 . 15847 1 891 . 1 1 72 72 LEU HD11 H 1 0.601 . . 1 . . . . 72 Leu HD1 . 15847 1 892 . 1 1 72 72 LEU HD12 H 1 0.601 . . 1 . . . . 72 Leu HD1 . 15847 1 893 . 1 1 72 72 LEU HD13 H 1 0.601 . . 1 . . . . 72 Leu HD1 . 15847 1 894 . 1 1 72 72 LEU HD21 H 1 0.084 . . 1 . . . . 72 Leu HD2 . 15847 1 895 . 1 1 72 72 LEU HD22 H 1 0.084 . . 1 . . . . 72 Leu HD2 . 15847 1 896 . 1 1 72 72 LEU HD23 H 1 0.084 . . 1 . . . . 72 Leu HD2 . 15847 1 897 . 1 1 72 72 LEU HG H 1 1.134 . . 1 . . . . 72 Leu HG . 15847 1 898 . 1 1 72 72 LEU C C 13 174.861 . . 1 . . . . 72 Leu C . 15847 1 899 . 1 1 72 72 LEU CA C 13 53.031 . . 1 . . . . 72 Leu CA . 15847 1 900 . 1 1 72 72 LEU CB C 13 40.225 . . 1 . . . . 72 Leu CB . 15847 1 901 . 1 1 72 72 LEU CD1 C 13 25.667 . . 1 . . . . 72 Leu CD1 . 15847 1 902 . 1 1 72 72 LEU CD2 C 13 23.098 . . 1 . . . . 72 Leu CD2 . 15847 1 903 . 1 1 72 72 LEU CG C 13 26.297 . . 1 . . . . 72 Leu CG . 15847 1 904 . 1 1 72 72 LEU N N 15 127.870 . . 1 . . . . 72 Leu N . 15847 1 905 . 1 1 73 73 LEU H H 1 6.772 . . 1 . . . . 73 Leu H . 15847 1 906 . 1 1 73 73 LEU HA H 1 4.814 . . 1 . . . . 73 Leu HA . 15847 1 907 . 1 1 73 73 LEU HB2 H 1 1.717 . . 2 . . . . 73 Leu HB2 . 15847 1 908 . 1 1 73 73 LEU HB3 H 1 1.378 . . 2 . . . . 73 Leu HB3 . 15847 1 909 . 1 1 73 73 LEU HD11 H 1 0.913 . . 1 . . . . 73 Leu HD1 . 15847 1 910 . 1 1 73 73 LEU HD12 H 1 0.913 . . 1 . . . . 73 Leu HD1 . 15847 1 911 . 1 1 73 73 LEU HD13 H 1 0.913 . . 1 . . . . 73 Leu HD1 . 15847 1 912 . 1 1 73 73 LEU HD21 H 1 0.946 . . 1 . . . . 73 Leu HD2 . 15847 1 913 . 1 1 73 73 LEU HD22 H 1 0.946 . . 1 . . . . 73 Leu HD2 . 15847 1 914 . 1 1 73 73 LEU HD23 H 1 0.946 . . 1 . . . . 73 Leu HD2 . 15847 1 915 . 1 1 73 73 LEU HG H 1 1.599 . . 1 . . . . 73 Leu HG . 15847 1 916 . 1 1 73 73 LEU CA C 13 51.591 . . 1 . . . . 73 Leu CA . 15847 1 917 . 1 1 73 73 LEU CB C 13 42.970 . . 1 . . . . 73 Leu CB . 15847 1 918 . 1 1 73 73 LEU CD1 C 13 25.380 . . 1 . . . . 73 Leu CD1 . 15847 1 919 . 1 1 73 73 LEU CD2 C 13 23.270 . . 1 . . . . 73 Leu CD2 . 15847 1 920 . 1 1 73 73 LEU CG C 13 26.953 . . 1 . . . . 73 Leu CG . 15847 1 921 . 1 1 73 73 LEU N N 15 120.547 . . 1 . . . . 73 Leu N . 15847 1 922 . 1 1 74 74 PRO HA H 1 4.194 . . 1 . . . . 74 Pro HA . 15847 1 923 . 1 1 74 74 PRO HB2 H 1 2.376 . . 2 . . . . 74 Pro HB2 . 15847 1 924 . 1 1 74 74 PRO HB3 H 1 2.035 . . 2 . . . . 74 Pro HB3 . 15847 1 925 . 1 1 74 74 PRO HD2 H 1 3.873 . . 2 . . . . 74 Pro HD2 . 15847 1 926 . 1 1 74 74 PRO HD3 H 1 4.010 . . 2 . . . . 74 Pro HD3 . 15847 1 927 . 1 1 74 74 PRO HG2 H 1 2.314 . . 2 . . . . 74 Pro HG2 . 15847 1 928 . 1 1 74 74 PRO HG3 H 1 1.976 . . 2 . . . . 74 Pro HG3 . 15847 1 929 . 1 1 74 74 PRO C C 13 179.017 . . 1 . . . . 74 Pro C . 15847 1 930 . 1 1 74 74 PRO CA C 13 65.848 . . 1 . . . . 74 Pro CA . 15847 1 931 . 1 1 74 74 PRO CB C 13 31.937 . . 1 . . . . 74 Pro CB . 15847 1 932 . 1 1 74 74 PRO CD C 13 50.664 . . 1 . . . . 74 Pro CD . 15847 1 933 . 1 1 74 74 PRO CG C 13 27.936 . . 1 . . . . 74 Pro CG . 15847 1 934 . 1 1 75 75 GLU H H 1 9.706 . . 1 . . . . 75 Glu H . 15847 1 935 . 1 1 75 75 GLU HA H 1 4.055 . . 1 . . . . 75 Glu HA . 15847 1 936 . 1 1 75 75 GLU HB2 H 1 2.116 . . 2 . . . . 75 Glu HB2 . 15847 1 937 . 1 1 75 75 GLU HB3 H 1 2.041 . . 2 . . . . 75 Glu HB3 . 15847 1 938 . 1 1 75 75 GLU HG2 H 1 2.402 . . 2 . . . . 75 Glu HG2 . 15847 1 939 . 1 1 75 75 GLU HG3 H 1 2.212 . . 2 . . . . 75 Glu HG3 . 15847 1 940 . 1 1 75 75 GLU C C 13 174.975 . . 1 . . . . 75 Glu C . 15847 1 941 . 1 1 75 75 GLU CA C 13 59.493 . . 1 . . . . 75 Glu CA . 15847 1 942 . 1 1 75 75 GLU CB C 13 29.110 . . 1 . . . . 75 Glu CB . 15847 1 943 . 1 1 75 75 GLU CG C 13 36.451 . . 1 . . . . 75 Glu CG . 15847 1 944 . 1 1 75 75 GLU N N 15 116.655 . . 1 . . . . 75 Glu N . 15847 1 945 . 1 1 76 76 GLU H H 1 7.338 . . 1 . . . . 76 Glu H . 15847 1 946 . 1 1 76 76 GLU HA H 1 4.431 . . 1 . . . . 76 Glu HA . 15847 1 947 . 1 1 76 76 GLU HB2 H 1 2.499 . . 2 . . . . 76 Glu HB2 . 15847 1 948 . 1 1 76 76 GLU HB3 H 1 1.763 . . 2 . . . . 76 Glu HB3 . 15847 1 949 . 1 1 76 76 GLU HG2 H 1 2.208 . . 2 . . . . 76 Glu HG2 . 15847 1 950 . 1 1 76 76 GLU HG3 H 1 2.083 . . 2 . . . . 76 Glu HG3 . 15847 1 951 . 1 1 76 76 GLU C C 13 176.167 . . 1 . . . . 76 Glu C . 15847 1 952 . 1 1 76 76 GLU CA C 13 54.823 . . 1 . . . . 76 Glu CA . 15847 1 953 . 1 1 76 76 GLU CB C 13 29.794 . . 1 . . . . 76 Glu CB . 15847 1 954 . 1 1 76 76 GLU CG C 13 36.040 . . 1 . . . . 76 Glu CG . 15847 1 955 . 1 1 76 76 GLU N N 15 112.340 . . 1 . . . . 76 Glu N . 15847 1 956 . 1 1 77 77 ALA H H 1 7.153 . . 1 . . . . 77 Ala H . 15847 1 957 . 1 1 77 77 ALA HA H 1 3.838 . . 1 . . . . 77 Ala HA . 15847 1 958 . 1 1 77 77 ALA HB1 H 1 0.962 . . 1 . . . . 77 Ala HB . 15847 1 959 . 1 1 77 77 ALA HB2 H 1 0.962 . . 1 . . . . 77 Ala HB . 15847 1 960 . 1 1 77 77 ALA HB3 H 1 0.962 . . 1 . . . . 77 Ala HB . 15847 1 961 . 1 1 77 77 ALA C C 13 176.350 . . 1 . . . . 77 Ala C . 15847 1 962 . 1 1 77 77 ALA CA C 13 52.040 . . 1 . . . . 77 Ala CA . 15847 1 963 . 1 1 77 77 ALA CB C 13 20.390 . . 1 . . . . 77 Ala CB . 15847 1 964 . 1 1 77 77 ALA N N 15 123.408 . . 1 . . . . 77 Ala N . 15847 1 965 . 1 1 78 78 ILE H H 1 8.701 . . 1 . . . . 78 Ile H . 15847 1 966 . 1 1 78 78 ILE HA H 1 4.055 . . 1 . . . . 78 Ile HA . 15847 1 967 . 1 1 78 78 ILE HB H 1 1.325 . . 1 . . . . 78 Ile HB . 15847 1 968 . 1 1 78 78 ILE HD11 H 1 0.628 . . 1 . . . . 78 Ile HD1 . 15847 1 969 . 1 1 78 78 ILE HD12 H 1 0.628 . . 1 . . . . 78 Ile HD1 . 15847 1 970 . 1 1 78 78 ILE HD13 H 1 0.628 . . 1 . . . . 78 Ile HD1 . 15847 1 971 . 1 1 78 78 ILE HG12 H 1 1.639 . . 2 . . . . 78 Ile HG12 . 15847 1 972 . 1 1 78 78 ILE HG13 H 1 1.639 . . 2 . . . . 78 Ile HG13 . 15847 1 973 . 1 1 78 78 ILE HG21 H 1 0.396 . . 1 . . . . 78 Ile HG2 . 15847 1 974 . 1 1 78 78 ILE HG22 H 1 0.396 . . 1 . . . . 78 Ile HG2 . 15847 1 975 . 1 1 78 78 ILE HG23 H 1 0.396 . . 1 . . . . 78 Ile HG2 . 15847 1 976 . 1 1 78 78 ILE C C 13 175.027 . . 1 . . . . 78 Ile C . 15847 1 977 . 1 1 78 78 ILE CA C 13 60.295 . . 1 . . . . 78 Ile CA . 15847 1 978 . 1 1 78 78 ILE CB C 13 41.312 . . 1 . . . . 78 Ile CB . 15847 1 979 . 1 1 78 78 ILE CD1 C 13 13.816 . . 1 . . . . 78 Ile CD1 . 15847 1 980 . 1 1 78 78 ILE CG1 C 13 28.001 . . 1 . . . . 78 Ile CG1 . 15847 1 981 . 1 1 78 78 ILE CG2 C 13 16.989 . . 1 . . . . 78 Ile CG2 . 15847 1 982 . 1 1 78 78 ILE N N 15 119.048 . . 1 . . . . 78 Ile N . 15847 1 983 . 1 1 79 79 ALA H H 1 9.104 . . 1 . . . . 79 Ala H . 15847 1 984 . 1 1 79 79 ALA HA H 1 4.755 . . 1 . . . . 79 Ala HA . 15847 1 985 . 1 1 79 79 ALA HB1 H 1 1.485 . . 1 . . . . 79 Ala HB . 15847 1 986 . 1 1 79 79 ALA HB2 H 1 1.485 . . 1 . . . . 79 Ala HB . 15847 1 987 . 1 1 79 79 ALA HB3 H 1 1.485 . . 1 . . . . 79 Ala HB . 15847 1 988 . 1 1 79 79 ALA C C 13 179.763 . . 1 . . . . 79 Ala C . 15847 1 989 . 1 1 79 79 ALA CA C 13 51.863 . . 1 . . . . 79 Ala CA . 15847 1 990 . 1 1 79 79 ALA CB C 13 18.493 . . 1 . . . . 79 Ala CB . 15847 1 991 . 1 1 79 79 ALA N N 15 130.917 . . 1 . . . . 79 Ala N . 15847 1 992 . 1 1 80 80 THR H H 1 8.052 . . 1 . . . . 80 Thr H . 15847 1 993 . 1 1 80 80 THR HA H 1 3.391 . . 1 . . . . 80 Thr HA . 15847 1 994 . 1 1 80 80 THR HB H 1 3.122 . . 1 . . . . 80 Thr HB . 15847 1 995 . 1 1 80 80 THR HG21 H 1 0.404 . . 1 . . . . 80 Thr HG2 . 15847 1 996 . 1 1 80 80 THR HG22 H 1 0.404 . . 1 . . . . 80 Thr HG2 . 15847 1 997 . 1 1 80 80 THR HG23 H 1 0.404 . . 1 . . . . 80 Thr HG2 . 15847 1 998 . 1 1 80 80 THR C C 13 177.152 . . 1 . . . . 80 Thr C . 15847 1 999 . 1 1 80 80 THR CA C 13 63.389 . . 1 . . . . 80 Thr CA . 15847 1 1000 . 1 1 80 80 THR CB C 13 68.191 . . 1 . . . . 80 Thr CB . 15847 1 1001 . 1 1 80 80 THR CG2 C 13 22.387 . . 1 . . . . 80 Thr CG2 . 15847 1 1002 . 1 1 80 80 THR N N 15 115.882 . . 1 . . . . 80 Thr N . 15847 1 1003 . 1 1 81 81 ILE H H 1 8.325 . . 1 . . . . 81 Ile H . 15847 1 1004 . 1 1 81 81 ILE HA H 1 4.134 . . 1 . . . . 81 Ile HA . 15847 1 1005 . 1 1 81 81 ILE HB H 1 1.942 . . 1 . . . . 81 Ile HB . 15847 1 1006 . 1 1 81 81 ILE HD11 H 1 0.893 . . 1 . . . . 81 Ile HD1 . 15847 1 1007 . 1 1 81 81 ILE HD12 H 1 0.893 . . 1 . . . . 81 Ile HD1 . 15847 1 1008 . 1 1 81 81 ILE HD13 H 1 0.893 . . 1 . . . . 81 Ile HD1 . 15847 1 1009 . 1 1 81 81 ILE HG12 H 1 1.431 . . 2 . . . . 81 Ile HG12 . 15847 1 1010 . 1 1 81 81 ILE HG13 H 1 1.264 . . 2 . . . . 81 Ile HG13 . 15847 1 1011 . 1 1 81 81 ILE HG21 H 1 0.840 . . 1 . . . . 81 Ile HG2 . 15847 1 1012 . 1 1 81 81 ILE HG22 H 1 0.840 . . 1 . . . . 81 Ile HG2 . 15847 1 1013 . 1 1 81 81 ILE HG23 H 1 0.840 . . 1 . . . . 81 Ile HG2 . 15847 1 1014 . 1 1 81 81 ILE C C 13 175.118 . . 1 . . . . 81 Ile C . 15847 1 1015 . 1 1 81 81 ILE CA C 13 62.011 . . 1 . . . . 81 Ile CA . 15847 1 1016 . 1 1 81 81 ILE CB C 13 37.813 . . 1 . . . . 81 Ile CB . 15847 1 1017 . 1 1 81 81 ILE CD1 C 13 14.132 . . 1 . . . . 81 Ile CD1 . 15847 1 1018 . 1 1 81 81 ILE CG1 C 13 28.454 . . 1 . . . . 81 Ile CG1 . 15847 1 1019 . 1 1 81 81 ILE CG2 C 13 17.246 . . 1 . . . . 81 Ile CG2 . 15847 1 1020 . 1 1 81 81 ILE N N 15 121.883 . . 1 . . . . 81 Ile N . 15847 1 1021 . 1 1 82 82 GLN H H 1 6.527 . . 1 . . . . 82 Gln H . 15847 1 1022 . 1 1 82 82 GLN HA H 1 4.313 . . 1 . . . . 82 Gln HA . 15847 1 1023 . 1 1 82 82 GLN HB2 H 1 2.218 . . 2 . . . . 82 Gln HB2 . 15847 1 1024 . 1 1 82 82 GLN HB3 H 1 2.024 . . 2 . . . . 82 Gln HB3 . 15847 1 1025 . 1 1 82 82 GLN HE21 H 1 7.562 . . 2 . . . . 82 Gln HE21 . 15847 1 1026 . 1 1 82 82 GLN HE22 H 1 6.969 . . 2 . . . . 82 Gln HE22 . 15847 1 1027 . 1 1 82 82 GLN HG2 H 1 2.417 . . 2 . . . . 82 Gln HG2 . 15847 1 1028 . 1 1 82 82 GLN HG3 H 1 2.417 . . 2 . . . . 82 Gln HG3 . 15847 1 1029 . 1 1 82 82 GLN C C 13 174.781 . . 1 . . . . 82 Gln C . 15847 1 1030 . 1 1 82 82 GLN CA C 13 55.990 . . 1 . . . . 82 Gln CA . 15847 1 1031 . 1 1 82 82 GLN CB C 13 30.708 . . 1 . . . . 82 Gln CB . 15847 1 1032 . 1 1 82 82 GLN CG C 13 33.796 . . 1 . . . . 82 Gln CG . 15847 1 1033 . 1 1 82 82 GLN N N 15 115.863 . . 1 . . . . 82 Gln N . 15847 1 1034 . 1 1 82 82 GLN NE2 N 15 113.083 . . 1 . . . . 82 Gln NE2 . 15847 1 1035 . 1 1 83 83 ILE H H 1 7.773 . . 1 . . . . 83 Ile H . 15847 1 1036 . 1 1 83 83 ILE HA H 1 3.869 . . 1 . . . . 83 Ile HA . 15847 1 1037 . 1 1 83 83 ILE HB H 1 2.127 . . 1 . . . . 83 Ile HB . 15847 1 1038 . 1 1 83 83 ILE HD11 H 1 0.580 . . 1 . . . . 83 Ile HD1 . 15847 1 1039 . 1 1 83 83 ILE HD12 H 1 0.580 . . 1 . . . . 83 Ile HD1 . 15847 1 1040 . 1 1 83 83 ILE HD13 H 1 0.580 . . 1 . . . . 83 Ile HD1 . 15847 1 1041 . 1 1 83 83 ILE HG12 H 1 1.180 . . 2 . . . . 83 Ile HG12 . 15847 1 1042 . 1 1 83 83 ILE HG13 H 1 0.983 . . 2 . . . . 83 Ile HG13 . 15847 1 1043 . 1 1 83 83 ILE HG21 H 1 0.886 . . 1 . . . . 83 Ile HG2 . 15847 1 1044 . 1 1 83 83 ILE HG22 H 1 0.886 . . 1 . . . . 83 Ile HG2 . 15847 1 1045 . 1 1 83 83 ILE HG23 H 1 0.886 . . 1 . . . . 83 Ile HG2 . 15847 1 1046 . 1 1 83 83 ILE C C 13 174.775 . . 1 . . . . 83 Ile C . 15847 1 1047 . 1 1 83 83 ILE CA C 13 59.628 . . 1 . . . . 83 Ile CA . 15847 1 1048 . 1 1 83 83 ILE CB C 13 37.038 . . 1 . . . . 83 Ile CB . 15847 1 1049 . 1 1 83 83 ILE CD1 C 13 14.780 . . 1 . . . . 83 Ile CD1 . 15847 1 1050 . 1 1 83 83 ILE CG1 C 13 27.112 . . 1 . . . . 83 Ile CG1 . 15847 1 1051 . 1 1 83 83 ILE CG2 C 13 17.808 . . 1 . . . . 83 Ile CG2 . 15847 1 1052 . 1 1 83 83 ILE N N 15 121.948 . . 1 . . . . 83 Ile N . 15847 1 1053 . 1 1 84 84 ALA H H 1 8.742 . . 1 . . . . 84 Ala H . 15847 1 1054 . 1 1 84 84 ALA HA H 1 4.125 . . 1 . . . . 84 Ala HA . 15847 1 1055 . 1 1 84 84 ALA HB1 H 1 1.335 . . 1 . . . . 84 Ala HB . 15847 1 1056 . 1 1 84 84 ALA HB2 H 1 1.335 . . 1 . . . . 84 Ala HB . 15847 1 1057 . 1 1 84 84 ALA HB3 H 1 1.335 . . 1 . . . . 84 Ala HB . 15847 1 1058 . 1 1 84 84 ALA C C 13 178.443 . . 1 . . . . 84 Ala C . 15847 1 1059 . 1 1 84 84 ALA CA C 13 53.515 . . 1 . . . . 84 Ala CA . 15847 1 1060 . 1 1 84 84 ALA CB C 13 18.246 . . 1 . . . . 84 Ala CB . 15847 1 1061 . 1 1 84 84 ALA N N 15 132.032 . . 1 . . . . 84 Ala N . 15847 1 1062 . 1 1 85 85 ASN H H 1 9.030 . . 1 . . . . 85 Asn H . 15847 1 1063 . 1 1 85 85 ASN HA H 1 4.312 . . 1 . . . . 85 Asn HA . 15847 1 1064 . 1 1 85 85 ASN HB2 H 1 2.863 . . 2 . . . . 85 Asn HB2 . 15847 1 1065 . 1 1 85 85 ASN HB3 H 1 2.863 . . 2 . . . . 85 Asn HB3 . 15847 1 1066 . 1 1 85 85 ASN HD21 H 1 7.635 . . 2 . . . . 85 Asn HD21 . 15847 1 1067 . 1 1 85 85 ASN HD22 H 1 6.928 . . 2 . . . . 85 Asn HD22 . 15847 1 1068 . 1 1 85 85 ASN C C 13 174.199 . . 1 . . . . 85 Asn C . 15847 1 1069 . 1 1 85 85 ASN CA C 13 53.794 . . 1 . . . . 85 Asn CA . 15847 1 1070 . 1 1 85 85 ASN CB C 13 37.265 . . 1 . . . . 85 Asn CB . 15847 1 1071 . 1 1 85 85 ASN N N 15 114.876 . . 1 . . . . 85 Asn N . 15847 1 1072 . 1 1 85 85 ASN ND2 N 15 114.118 . . 1 . . . . 85 Asn ND2 . 15847 1 1073 . 1 1 86 86 PHE H H 1 7.746 . . 1 . . . . 86 Phe H . 15847 1 1074 . 1 1 86 86 PHE HA H 1 4.200 . . 1 . . . . 86 Phe HA . 15847 1 1075 . 1 1 86 86 PHE HB2 H 1 3.146 . . 2 . . . . 86 Phe HB2 . 15847 1 1076 . 1 1 86 86 PHE HB3 H 1 2.996 . . 2 . . . . 86 Phe HB3 . 15847 1 1077 . 1 1 86 86 PHE HD1 H 1 7.141 . . 2 . . . . 86 Phe HD1 . 15847 1 1078 . 1 1 86 86 PHE HD2 H 1 7.141 . . 2 . . . . 86 Phe HD2 . 15847 1 1079 . 1 1 86 86 PHE CA C 13 57.211 . . 1 . . . . 86 Phe CA . 15847 1 1080 . 1 1 86 86 PHE CB C 13 39.435 . . 1 . . . . 86 Phe CB . 15847 1 1081 . 1 1 86 86 PHE CD1 C 13 132.191 . . 2 . . . . 86 Phe CD1 . 15847 1 1082 . 1 1 86 86 PHE CD2 C 13 132.191 . . 2 . . . . 86 Phe CD2 . 15847 1 1083 . 1 1 86 86 PHE N N 15 121.694 . . 1 . . . . 86 Phe N . 15847 1 1084 . 1 1 87 87 PRO HA H 1 4.310 . . 1 . . . . 87 Pro HA . 15847 1 1085 . 1 1 87 87 PRO HB2 H 1 1.994 . . 2 . . . . 87 Pro HB2 . 15847 1 1086 . 1 1 87 87 PRO HB3 H 1 1.718 . . 2 . . . . 87 Pro HB3 . 15847 1 1087 . 1 1 87 87 PRO HD2 H 1 3.375 . . 2 . . . . 87 Pro HD2 . 15847 1 1088 . 1 1 87 87 PRO HD3 H 1 2.120 . . 2 . . . . 87 Pro HD3 . 15847 1 1089 . 1 1 87 87 PRO HG2 H 1 1.491 . . 2 . . . . 87 Pro HG2 . 15847 1 1090 . 1 1 87 87 PRO HG3 H 1 1.245 . . 2 . . . . 87 Pro HG3 . 15847 1 1091 . 1 1 87 87 PRO C C 13 175.623 . . 1 . . . . 87 Pro C . 15847 1 1092 . 1 1 87 87 PRO CA C 13 62.938 . . 1 . . . . 87 Pro CA . 15847 1 1093 . 1 1 87 87 PRO CB C 13 31.392 . . 1 . . . . 87 Pro CB . 15847 1 1094 . 1 1 87 87 PRO CD C 13 50.021 . . 1 . . . . 87 Pro CD . 15847 1 1095 . 1 1 87 87 PRO CG C 13 27.133 . . 1 . . . . 87 Pro CG . 15847 1 1096 . 1 1 88 88 ASP H H 1 8.355 . . 1 . . . . 88 Asp H . 15847 1 1097 . 1 1 88 88 ASP HA H 1 4.506 . . 1 . . . . 88 Asp HA . 15847 1 1098 . 1 1 88 88 ASP HB2 H 1 2.678 . . 2 . . . . 88 Asp HB2 . 15847 1 1099 . 1 1 88 88 ASP HB3 H 1 2.678 . . 2 . . . . 88 Asp HB3 . 15847 1 1100 . 1 1 88 88 ASP C C 13 175.807 . . 1 . . . . 88 Asp C . 15847 1 1101 . 1 1 88 88 ASP CA C 13 54.149 . . 1 . . . . 88 Asp CA . 15847 1 1102 . 1 1 88 88 ASP CB C 13 41.323 . . 1 . . . . 88 Asp CB . 15847 1 1103 . 1 1 88 88 ASP N N 15 122.480 . . 1 . . . . 88 Asp N . 15847 1 1104 . 1 1 89 89 LYS H H 1 8.278 . . 1 . . . . 89 Lys H . 15847 1 1105 . 1 1 89 89 LYS HA H 1 4.233 . . 1 . . . . 89 Lys HA . 15847 1 1106 . 1 1 89 89 LYS HB2 H 1 1.755 . . 2 . . . . 89 Lys HB2 . 15847 1 1107 . 1 1 89 89 LYS HB3 H 1 1.613 . . 2 . . . . 89 Lys HB3 . 15847 1 1108 . 1 1 89 89 LYS HD2 H 1 1.646 . . 2 . . . . 89 Lys HD2 . 15847 1 1109 . 1 1 89 89 LYS HD3 H 1 1.646 . . 2 . . . . 89 Lys HD3 . 15847 1 1110 . 1 1 89 89 LYS HE2 H 1 2.972 . . 2 . . . . 89 Lys HE2 . 15847 1 1111 . 1 1 89 89 LYS HE3 H 1 2.972 . . 2 . . . . 89 Lys HE3 . 15847 1 1112 . 1 1 89 89 LYS HG2 H 1 1.328 . . 2 . . . . 89 Lys HG2 . 15847 1 1113 . 1 1 89 89 LYS HG3 H 1 1.328 . . 2 . . . . 89 Lys HG3 . 15847 1 1114 . 1 1 89 89 LYS C C 13 175.780 . . 1 . . . . 89 Lys C . 15847 1 1115 . 1 1 89 89 LYS CA C 13 56.162 . . 1 . . . . 89 Lys CA . 15847 1 1116 . 1 1 89 89 LYS CB C 13 33.479 . . 1 . . . . 89 Lys CB . 15847 1 1117 . 1 1 89 89 LYS CD C 13 29.162 . . 1 . . . . 89 Lys CD . 15847 1 1118 . 1 1 89 89 LYS CE C 13 42.103 . . 1 . . . . 89 Lys CE . 15847 1 1119 . 1 1 89 89 LYS CG C 13 24.654 . . 1 . . . . 89 Lys CG . 15847 1 1120 . 1 1 89 89 LYS N N 15 119.985 . . 1 . . . . 89 Lys N . 15847 1 1121 . 1 1 90 90 LEU H H 1 8.308 . . 1 . . . . 90 Leu H . 15847 1 1122 . 1 1 90 90 LEU HA H 1 4.280 . . 1 . . . . 90 Leu HA . 15847 1 1123 . 1 1 90 90 LEU HB2 H 1 1.471 . . 2 . . . . 90 Leu HB2 . 15847 1 1124 . 1 1 90 90 LEU HB3 H 1 1.472 . . 2 . . . . 90 Leu HB3 . 15847 1 1125 . 1 1 90 90 LEU C C 13 176.912 . . 1 . . . . 90 Leu C . 15847 1 1126 . 1 1 90 90 LEU CA C 13 54.975 . . 1 . . . . 90 Leu CA . 15847 1 1127 . 1 1 90 90 LEU CB C 13 42.308 . . 1 . . . . 90 Leu CB . 15847 1 1128 . 1 1 90 90 LEU N N 15 123.806 . . 1 . . . . 90 Leu N . 15847 1 1129 . 1 1 91 91 GLU H H 1 8.386 . . 1 . . . . 91 Glu H . 15847 1 1130 . 1 1 91 91 GLU HA H 1 4.185 . . 1 . . . . 91 Glu HA . 15847 1 1131 . 1 1 91 91 GLU HB2 H 1 1.831 . . 2 . . . . 91 Glu HB2 . 15847 1 1132 . 1 1 91 91 GLU HB3 H 1 1.833 . . 2 . . . . 91 Glu HB3 . 15847 1 1133 . 1 1 91 91 GLU C C 13 175.990 . . 1 . . . . 91 Glu C . 15847 1 1134 . 1 1 91 91 GLU CA C 13 56.409 . . 1 . . . . 91 Glu CA . 15847 1 1135 . 1 1 91 91 GLU CB C 13 30.427 . . 1 . . . . 91 Glu CB . 15847 1 1136 . 1 1 91 91 GLU N N 15 122.272 . . 1 . . . . 91 Glu N . 15847 1 1137 . 1 1 92 92 HIS H H 1 8.386 . . 1 . . . . 92 His H . 15847 1 1138 . 1 1 92 92 HIS N N 15 120.494 . . 1 . . . . 92 His N . 15847 1 stop_ save_