data_19703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19703 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments and structure of Iron-sulfur cluster binding protein from Ehrlichia chaffeensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-23 _Entry.Accession_date 2013-12-23 _Entry.Last_release_date 2014-01-14 _Entry.Original_release_date 2014-01-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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 'Ravi Pratap' Barnwal . . . 19703 2 Gabriele Varani . . . 19703 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 19703 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ehrlichia chaffeensis' . 19703 'Iron-sulfur cluster binding protein' . 19703 NMR . 19703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 19703 '15N chemical shifts' 98 19703 '1H chemical shifts' 563 19703 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-01-14 2013-12-23 original author . 19703 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJ3 'BMRB Entry Tracking System' 19703 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19703 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C, and 15N Chemical Shift Assignments and structure of Iron-sulfur cluster binding protein from Ehrlichia chaffeensis' _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 'Ravi Pratap' Barnwal . . . 19703 1 2 Gabriele Varani . . . 19703 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19703 _Assembly.ID 1 _Assembly.Name 'Iron-sulfur cluster binding protein from Ehrlichia chaffeensis' _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 'Iron-sulfur cluster binding protein' 1 $Iron-sulfur_cluster_binding_protein A . yes native no no . . . 19703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Iron-sulfur_cluster_binding_protein _Entity.Sf_category entity _Entity.Sf_framecode Iron-sulfur_cluster_binding_protein _Entity.Entry_ID 19703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Iron-sulfur_cluster_binding_protein _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 ; MPLITFISPDGSRKTYEAYD GETLLSLAHRNNVDLEGACE GSLACSTCHVIIDPSWYDIV EQHNEISDEENDMLDLAFGL TDTSRLGCQIILTKELDGLC VILPTETRNISFVKNS ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12862.470 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MJ3 . "Backbone 1h, 13c, And 15n Chemical Shift Assignments And Structure Of Iron-sulfur Cluster Binding Protein From Ehrlichia Chaffe" . . . . . 100.00 116 100.00 100.00 1.98e-78 . . . . 19703 1 2 no EMBL CEI85472 . "Ferredoxin [Ehrlichia mineirensis]" . . . . . 99.14 116 99.13 100.00 1.49e-77 . . . . 19703 1 3 no GB AAZ68448 . "Ferredoxin [Ehrlichia canis str. Jake]" . . . . . 99.14 116 98.26 100.00 6.31e-77 . . . . 19703 1 4 no GB ABD45498 . "iron-sulfur cluster binding protein [Ehrlichia chaffeensis str. Arkansas]" . . . . . 100.00 116 100.00 100.00 1.98e-78 . . . . 19703 1 5 no GB AHX03715 . "2Fe-2S iron-sulfur cluster binding domain protein [Ehrlichia chaffeensis str. Heartland]" . . . . . 100.00 116 100.00 100.00 1.98e-78 . . . . 19703 1 6 no GB AHX04894 . "2Fe-2S iron-sulfur cluster binding domain protein [Ehrlichia sp. HF]" . . . . . 100.00 116 97.41 99.14 1.04e-76 . . . . 19703 1 7 no GB AHX05564 . "2Fe-2S iron-sulfur cluster binding domain protein [Ehrlichia chaffeensis str. Jax]" . . . . . 100.00 116 100.00 100.00 1.98e-78 . . . . 19703 1 8 no REF WP_006011527 . "(2Fe-2S) ferredoxin [Ehrlichia chaffeensis]" . . . . . 100.00 116 100.00 100.00 1.98e-78 . . . . 19703 1 9 no REF WP_011304526 . "(2Fe-2S) ferredoxin [Ehrlichia canis]" . . . . . 99.14 116 98.26 100.00 6.31e-77 . . . . 19703 1 10 no REF WP_044194855 . "(2Fe-2S) ferredoxin [Ehrlichia sp. HF]" . . . . . 100.00 116 97.41 99.14 1.04e-76 . . . . 19703 1 11 no REF WP_045171525 . "(2Fe-2S) ferredoxin [Ehrlichia mineirensis]" . . . . . 99.14 116 99.13 100.00 1.49e-77 . . . . 19703 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 . 19703 1 2 . PRO . 19703 1 3 . LEU . 19703 1 4 . ILE . 19703 1 5 . THR . 19703 1 6 . PHE . 19703 1 7 . ILE . 19703 1 8 . SER . 19703 1 9 . PRO . 19703 1 10 . ASP . 19703 1 11 . GLY . 19703 1 12 . SER . 19703 1 13 . ARG . 19703 1 14 . LYS . 19703 1 15 . THR . 19703 1 16 . TYR . 19703 1 17 . GLU . 19703 1 18 . ALA . 19703 1 19 . TYR . 19703 1 20 . ASP . 19703 1 21 . GLY . 19703 1 22 . GLU . 19703 1 23 . THR . 19703 1 24 . LEU . 19703 1 25 . LEU . 19703 1 26 . SER . 19703 1 27 . LEU . 19703 1 28 . ALA . 19703 1 29 . HIS . 19703 1 30 . ARG . 19703 1 31 . ASN . 19703 1 32 . ASN . 19703 1 33 . VAL . 19703 1 34 . ASP . 19703 1 35 . LEU . 19703 1 36 . GLU . 19703 1 37 . GLY . 19703 1 38 . ALA . 19703 1 39 . CYS . 19703 1 40 . GLU . 19703 1 41 . GLY . 19703 1 42 . SER . 19703 1 43 . LEU . 19703 1 44 . ALA . 19703 1 45 . CYS . 19703 1 46 . SER . 19703 1 47 . THR . 19703 1 48 . CYS . 19703 1 49 . HIS . 19703 1 50 . VAL . 19703 1 51 . ILE . 19703 1 52 . ILE . 19703 1 53 . ASP . 19703 1 54 . PRO . 19703 1 55 . SER . 19703 1 56 . TRP . 19703 1 57 . TYR . 19703 1 58 . ASP . 19703 1 59 . ILE . 19703 1 60 . VAL . 19703 1 61 . GLU . 19703 1 62 . GLN . 19703 1 63 . HIS . 19703 1 64 . ASN . 19703 1 65 . GLU . 19703 1 66 . ILE . 19703 1 67 . SER . 19703 1 68 . ASP . 19703 1 69 . GLU . 19703 1 70 . GLU . 19703 1 71 . ASN . 19703 1 72 . ASP . 19703 1 73 . MET . 19703 1 74 . LEU . 19703 1 75 . ASP . 19703 1 76 . LEU . 19703 1 77 . ALA . 19703 1 78 . PHE . 19703 1 79 . GLY . 19703 1 80 . LEU . 19703 1 81 . THR . 19703 1 82 . ASP . 19703 1 83 . THR . 19703 1 84 . SER . 19703 1 85 . ARG . 19703 1 86 . LEU . 19703 1 87 . GLY . 19703 1 88 . CYS . 19703 1 89 . GLN . 19703 1 90 . ILE . 19703 1 91 . ILE . 19703 1 92 . LEU . 19703 1 93 . THR . 19703 1 94 . LYS . 19703 1 95 . GLU . 19703 1 96 . LEU . 19703 1 97 . ASP . 19703 1 98 . GLY . 19703 1 99 . LEU . 19703 1 100 . CYS . 19703 1 101 . VAL . 19703 1 102 . ILE . 19703 1 103 . LEU . 19703 1 104 . PRO . 19703 1 105 . THR . 19703 1 106 . GLU . 19703 1 107 . THR . 19703 1 108 . ARG . 19703 1 109 . ASN . 19703 1 110 . ILE . 19703 1 111 . SER . 19703 1 112 . PHE . 19703 1 113 . VAL . 19703 1 114 . LYS . 19703 1 115 . ASN . 19703 1 116 . SER . 19703 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 19703 1 . PRO 2 2 19703 1 . LEU 3 3 19703 1 . ILE 4 4 19703 1 . THR 5 5 19703 1 . PHE 6 6 19703 1 . ILE 7 7 19703 1 . SER 8 8 19703 1 . PRO 9 9 19703 1 . ASP 10 10 19703 1 . GLY 11 11 19703 1 . SER 12 12 19703 1 . ARG 13 13 19703 1 . LYS 14 14 19703 1 . THR 15 15 19703 1 . TYR 16 16 19703 1 . GLU 17 17 19703 1 . ALA 18 18 19703 1 . TYR 19 19 19703 1 . ASP 20 20 19703 1 . GLY 21 21 19703 1 . GLU 22 22 19703 1 . THR 23 23 19703 1 . LEU 24 24 19703 1 . LEU 25 25 19703 1 . SER 26 26 19703 1 . LEU 27 27 19703 1 . ALA 28 28 19703 1 . HIS 29 29 19703 1 . ARG 30 30 19703 1 . ASN 31 31 19703 1 . ASN 32 32 19703 1 . VAL 33 33 19703 1 . ASP 34 34 19703 1 . LEU 35 35 19703 1 . GLU 36 36 19703 1 . GLY 37 37 19703 1 . ALA 38 38 19703 1 . CYS 39 39 19703 1 . GLU 40 40 19703 1 . GLY 41 41 19703 1 . SER 42 42 19703 1 . LEU 43 43 19703 1 . ALA 44 44 19703 1 . CYS 45 45 19703 1 . SER 46 46 19703 1 . THR 47 47 19703 1 . CYS 48 48 19703 1 . HIS 49 49 19703 1 . VAL 50 50 19703 1 . ILE 51 51 19703 1 . ILE 52 52 19703 1 . ASP 53 53 19703 1 . PRO 54 54 19703 1 . SER 55 55 19703 1 . TRP 56 56 19703 1 . TYR 57 57 19703 1 . ASP 58 58 19703 1 . ILE 59 59 19703 1 . VAL 60 60 19703 1 . GLU 61 61 19703 1 . GLN 62 62 19703 1 . HIS 63 63 19703 1 . ASN 64 64 19703 1 . GLU 65 65 19703 1 . ILE 66 66 19703 1 . SER 67 67 19703 1 . ASP 68 68 19703 1 . GLU 69 69 19703 1 . GLU 70 70 19703 1 . ASN 71 71 19703 1 . ASP 72 72 19703 1 . MET 73 73 19703 1 . LEU 74 74 19703 1 . ASP 75 75 19703 1 . LEU 76 76 19703 1 . ALA 77 77 19703 1 . PHE 78 78 19703 1 . GLY 79 79 19703 1 . LEU 80 80 19703 1 . THR 81 81 19703 1 . ASP 82 82 19703 1 . THR 83 83 19703 1 . SER 84 84 19703 1 . ARG 85 85 19703 1 . LEU 86 86 19703 1 . GLY 87 87 19703 1 . CYS 88 88 19703 1 . GLN 89 89 19703 1 . ILE 90 90 19703 1 . ILE 91 91 19703 1 . LEU 92 92 19703 1 . THR 93 93 19703 1 . LYS 94 94 19703 1 . GLU 95 95 19703 1 . LEU 96 96 19703 1 . ASP 97 97 19703 1 . GLY 98 98 19703 1 . LEU 99 99 19703 1 . CYS 100 100 19703 1 . VAL 101 101 19703 1 . ILE 102 102 19703 1 . LEU 103 103 19703 1 . PRO 104 104 19703 1 . THR 105 105 19703 1 . GLU 106 106 19703 1 . THR 107 107 19703 1 . ARG 108 108 19703 1 . ASN 109 109 19703 1 . ILE 110 110 19703 1 . SER 111 111 19703 1 . PHE 112 112 19703 1 . VAL 113 113 19703 1 . LYS 114 114 19703 1 . ASN 115 115 19703 1 . SER 116 116 19703 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 19703 _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 $Iron-sulfur_cluster_binding_protein . 945 organism . 'Ehrlichia chaffeensis' 'Ehrlichia chaffeensis' . . Bacteria . Ehrlichia chaffeensis . . . . . . . . . . . . . . . . . . . . . 19703 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 19703 _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 $Iron-sulfur_cluster_binding_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-AVA . . . . . . 19703 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19703 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Iron-sulfur cluster binding protein' '[U-95% 15N]' . . 1 $Iron-sulfur_cluster_binding_protein . . 1.2 . . mM . . . . 19703 1 2 'Iron-sulfur cluster binding protein' '[U-95% 13C; U-95% 15N]' . . 1 $Iron-sulfur_cluster_binding_protein . . 1.1 . . mM . . . . 19703 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19703 _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 pH 7 . pH 19703 1 pressure 1 . atm 19703 1 temperature 298 . K 19703 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19703 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19703 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19703 1 processing 19703 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19703 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19703 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19703 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 19703 _Software.ID 3 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19703 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19703 3 'data analysis' 19703 3 'peak picking' 19703 3 refinement 19703 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19703 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19703 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19703 4 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 19703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19703 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19703 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19703 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 500 . . . 19703 1 2 spectrometer_2 Bruker Avance . 600 . . . 19703 1 3 spectrometer_3 Bruker Avance . 800 . . . 19703 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 19703 _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 . . . . . . . . . . . . . . . . 19703 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19703 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19703 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19703 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19703 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 19703 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19703 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19703 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19703 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 19703 _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' . . . 19703 1 2 '2D 1H-13C HSQC' . . . 19703 1 3 '3D CBCA(CO)NH' . . . 19703 1 4 '3D HNCO' . . . 19703 1 5 '3D HNCACB' . . . 19703 1 6 '3D HBHA(CO)NH' . . . 19703 1 12 '3D 1H-13C NOESY aliphatic' . . . 19703 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CCPNMR . . 19703 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.138 0.004 . . . . . A 2 PRO HA . 19703 1 2 . 1 1 2 2 PRO HB2 H 1 1.611 0.000 . . . . . A 2 PRO HB2 . 19703 1 3 . 1 1 2 2 PRO HB3 H 1 1.720 0.010 . . . . . A 2 PRO HB3 . 19703 1 4 . 1 1 2 2 PRO HG2 H 1 1.462 0.000 . . . . . A 2 PRO HG2 . 19703 1 5 . 1 1 2 2 PRO HG3 H 1 1.359 0.001 . . . . . A 2 PRO HG3 . 19703 1 6 . 1 1 2 2 PRO HD3 H 1 3.525 0.000 . . . . . A 2 PRO HD3 . 19703 1 7 . 1 1 2 2 PRO C C 13 174.711 0.000 . . . . . A 2 PRO C . 19703 1 8 . 1 1 2 2 PRO CA C 13 61.918 0.088 . . . . . A 2 PRO CA . 19703 1 9 . 1 1 2 2 PRO CB C 13 31.604 0.000 . . . . . A 2 PRO CB . 19703 1 10 . 1 1 2 2 PRO CG C 13 27.252 0.000 . . . . . A 2 PRO CG . 19703 1 11 . 1 1 2 2 PRO CD C 13 49.749 0.000 . . . . . A 2 PRO CD . 19703 1 12 . 1 1 3 3 LEU H H 1 8.745 0.017 . . . . . A 3 LEU H . 19703 1 13 . 1 1 3 3 LEU HA H 1 4.840 0.005 . . . . . A 3 LEU HA . 19703 1 14 . 1 1 3 3 LEU HB2 H 1 0.889 0.008 . . . . . A 3 LEU HB2 . 19703 1 15 . 1 1 3 3 LEU HB3 H 1 1.668 0.010 . . . . . A 3 LEU HB3 . 19703 1 16 . 1 1 3 3 LEU HG H 1 0.771 0.000 . . . . . A 3 LEU HG . 19703 1 17 . 1 1 3 3 LEU HD11 H 1 0.629 0.002 . . . . . A 3 LEU HD11 . 19703 1 18 . 1 1 3 3 LEU HD12 H 1 0.629 0.002 . . . . . A 3 LEU HD12 . 19703 1 19 . 1 1 3 3 LEU HD13 H 1 0.629 0.002 . . . . . A 3 LEU HD13 . 19703 1 20 . 1 1 3 3 LEU C C 13 176.954 0.000 . . . . . A 3 LEU C . 19703 1 21 . 1 1 3 3 LEU CA C 13 53.697 0.074 . . . . . A 3 LEU CA . 19703 1 22 . 1 1 3 3 LEU CB C 13 42.404 0.060 . . . . . A 3 LEU CB . 19703 1 23 . 1 1 3 3 LEU CG C 13 26.401 0.000 . . . . . A 3 LEU CG . 19703 1 24 . 1 1 3 3 LEU CD1 C 13 23.929 0.076 . . . . . A 3 LEU CD1 . 19703 1 25 . 1 1 3 3 LEU CD2 C 13 25.286 0.000 . . . . . A 3 LEU CD2 . 19703 1 26 . 1 1 3 3 LEU N N 15 122.430 0.054 . . . . . A 3 LEU N . 19703 1 27 . 1 1 4 4 ILE H H 1 8.824 0.016 . . . . . A 4 ILE H . 19703 1 28 . 1 1 4 4 ILE HA H 1 4.465 0.005 . . . . . A 4 ILE HA . 19703 1 29 . 1 1 4 4 ILE HB H 1 1.788 0.003 . . . . . A 4 ILE HB . 19703 1 30 . 1 1 4 4 ILE HG12 H 1 0.991 0.000 . . . . . A 4 ILE HG12 . 19703 1 31 . 1 1 4 4 ILE HG13 H 1 1.355 0.000 . . . . . A 4 ILE HG13 . 19703 1 32 . 1 1 4 4 ILE HG21 H 1 0.223 0.008 . . . . . A 4 ILE HG21 . 19703 1 33 . 1 1 4 4 ILE HG22 H 1 0.223 0.008 . . . . . A 4 ILE HG22 . 19703 1 34 . 1 1 4 4 ILE HG23 H 1 0.223 0.008 . . . . . A 4 ILE HG23 . 19703 1 35 . 1 1 4 4 ILE HD11 H 1 0.450 0.008 . . . . . A 4 ILE HD11 . 19703 1 36 . 1 1 4 4 ILE HD12 H 1 0.450 0.008 . . . . . A 4 ILE HD12 . 19703 1 37 . 1 1 4 4 ILE HD13 H 1 0.450 0.008 . . . . . A 4 ILE HD13 . 19703 1 38 . 1 1 4 4 ILE C C 13 174.949 0.000 . . . . . A 4 ILE C . 19703 1 39 . 1 1 4 4 ILE CA C 13 57.967 0.047 . . . . . A 4 ILE CA . 19703 1 40 . 1 1 4 4 ILE CB C 13 38.795 0.042 . . . . . A 4 ILE CB . 19703 1 41 . 1 1 4 4 ILE CG1 C 13 28.509 0.000 . . . . . A 4 ILE CG1 . 19703 1 42 . 1 1 4 4 ILE CG2 C 13 17.784 0.064 . . . . . A 4 ILE CG2 . 19703 1 43 . 1 1 4 4 ILE CD1 C 13 12.137 0.077 . . . . . A 4 ILE CD1 . 19703 1 44 . 1 1 4 4 ILE N N 15 125.237 0.029 . . . . . A 4 ILE N . 19703 1 45 . 1 1 5 5 THR H H 1 8.802 0.007 . . . . . A 5 THR H . 19703 1 46 . 1 1 5 5 THR HA H 1 5.133 0.005 . . . . . A 5 THR HA . 19703 1 47 . 1 1 5 5 THR HB H 1 3.843 0.005 . . . . . A 5 THR HB . 19703 1 48 . 1 1 5 5 THR HG21 H 1 0.949 0.000 . . . . . A 5 THR HG21 . 19703 1 49 . 1 1 5 5 THR HG22 H 1 0.949 0.000 . . . . . A 5 THR HG22 . 19703 1 50 . 1 1 5 5 THR HG23 H 1 0.949 0.000 . . . . . A 5 THR HG23 . 19703 1 51 . 1 1 5 5 THR C C 13 172.705 0.000 . . . . . A 5 THR C . 19703 1 52 . 1 1 5 5 THR CA C 13 61.945 0.087 . . . . . A 5 THR CA . 19703 1 53 . 1 1 5 5 THR CB C 13 70.736 0.068 . . . . . A 5 THR CB . 19703 1 54 . 1 1 5 5 THR CG2 C 13 21.373 0.000 . . . . . A 5 THR CG2 . 19703 1 55 . 1 1 5 5 THR N N 15 124.237 0.016 . . . . . A 5 THR N . 19703 1 56 . 1 1 6 6 PHE H H 1 9.239 0.019 . . . . . A 6 PHE H . 19703 1 57 . 1 1 6 6 PHE HA H 1 5.244 0.008 . . . . . A 6 PHE HA . 19703 1 58 . 1 1 6 6 PHE HB2 H 1 3.007 0.001 . . . . . A 6 PHE HB2 . 19703 1 59 . 1 1 6 6 PHE HB3 H 1 2.635 0.002 . . . . . A 6 PHE HB3 . 19703 1 60 . 1 1 6 6 PHE HD1 H 1 7.098 0.000 . . . . . A 6 PHE HD1 . 19703 1 61 . 1 1 6 6 PHE HD2 H 1 7.098 0.000 . . . . . A 6 PHE HD2 . 19703 1 62 . 1 1 6 6 PHE HE1 H 1 6.835 0.000 . . . . . A 6 PHE HE1 . 19703 1 63 . 1 1 6 6 PHE HE2 H 1 6.835 0.000 . . . . . A 6 PHE HE2 . 19703 1 64 . 1 1 6 6 PHE C C 13 176.172 0.003 . . . . . A 6 PHE C . 19703 1 65 . 1 1 6 6 PHE CA C 13 56.309 0.060 . . . . . A 6 PHE CA . 19703 1 66 . 1 1 6 6 PHE CB C 13 42.111 0.083 . . . . . A 6 PHE CB . 19703 1 67 . 1 1 6 6 PHE N N 15 124.358 0.087 . . . . . A 6 PHE N . 19703 1 68 . 1 1 7 7 ILE H H 1 9.509 0.011 . . . . . A 7 ILE H . 19703 1 69 . 1 1 7 7 ILE HA H 1 4.847 0.002 . . . . . A 7 ILE HA . 19703 1 70 . 1 1 7 7 ILE HB H 1 1.893 0.003 . . . . . A 7 ILE HB . 19703 1 71 . 1 1 7 7 ILE HG13 H 1 1.433 0.000 . . . . . A 7 ILE HG13 . 19703 1 72 . 1 1 7 7 ILE HG21 H 1 0.906 0.000 . . . . . A 7 ILE HG21 . 19703 1 73 . 1 1 7 7 ILE HG22 H 1 0.906 0.000 . . . . . A 7 ILE HG22 . 19703 1 74 . 1 1 7 7 ILE HG23 H 1 0.906 0.000 . . . . . A 7 ILE HG23 . 19703 1 75 . 1 1 7 7 ILE HD11 H 1 0.760 0.007 . . . . . A 7 ILE HD11 . 19703 1 76 . 1 1 7 7 ILE HD12 H 1 0.760 0.007 . . . . . A 7 ILE HD12 . 19703 1 77 . 1 1 7 7 ILE HD13 H 1 0.760 0.007 . . . . . A 7 ILE HD13 . 19703 1 78 . 1 1 7 7 ILE C C 13 176.608 0.011 . . . . . A 7 ILE C . 19703 1 79 . 1 1 7 7 ILE CA C 13 60.317 0.077 . . . . . A 7 ILE CA . 19703 1 80 . 1 1 7 7 ILE CB C 13 38.252 0.056 . . . . . A 7 ILE CB . 19703 1 81 . 1 1 7 7 ILE CG1 C 13 28.017 0.000 . . . . . A 7 ILE CG1 . 19703 1 82 . 1 1 7 7 ILE CG2 C 13 17.057 0.000 . . . . . A 7 ILE CG2 . 19703 1 83 . 1 1 7 7 ILE CD1 C 13 13.122 0.093 . . . . . A 7 ILE CD1 . 19703 1 84 . 1 1 7 7 ILE N N 15 126.251 0.041 . . . . . A 7 ILE N . 19703 1 85 . 1 1 8 8 SER H H 1 8.880 0.009 . . . . . A 8 SER H . 19703 1 86 . 1 1 8 8 SER C C 13 174.143 0.000 . . . . . A 8 SER C . 19703 1 87 . 1 1 8 8 SER CA C 13 59.506 0.000 . . . . . A 8 SER CA . 19703 1 88 . 1 1 8 8 SER CB C 13 62.938 0.000 . . . . . A 8 SER CB . 19703 1 89 . 1 1 8 8 SER N N 15 124.211 0.038 . . . . . A 8 SER N . 19703 1 90 . 1 1 9 9 PRO HA H 1 4.326 0.005 . . . . . A 9 PRO HA . 19703 1 91 . 1 1 9 9 PRO HB2 H 1 1.880 0.001 . . . . . A 9 PRO HB2 . 19703 1 92 . 1 1 9 9 PRO HB3 H 1 2.354 0.002 . . . . . A 9 PRO HB3 . 19703 1 93 . 1 1 9 9 PRO HG2 H 1 2.010 0.000 . . . . . A 9 PRO HG2 . 19703 1 94 . 1 1 9 9 PRO HD3 H 1 3.815 0.005 . . . . . A 9 PRO HD3 . 19703 1 95 . 1 1 9 9 PRO C C 13 176.530 0.000 . . . . . A 9 PRO C . 19703 1 96 . 1 1 9 9 PRO CA C 13 65.685 0.084 . . . . . A 9 PRO CA . 19703 1 97 . 1 1 9 9 PRO CB C 13 31.920 0.050 . . . . . A 9 PRO CB . 19703 1 98 . 1 1 9 9 PRO CG C 13 27.711 0.000 . . . . . A 9 PRO CG . 19703 1 99 . 1 1 9 9 PRO CD C 13 51.348 0.000 . . . . . A 9 PRO CD . 19703 1 100 . 1 1 10 10 ASP H H 1 7.667 0.009 . . . . . A 10 ASP H . 19703 1 101 . 1 1 10 10 ASP HA H 1 4.413 0.008 . . . . . A 10 ASP HA . 19703 1 102 . 1 1 10 10 ASP HB2 H 1 2.579 0.000 . . . . . A 10 ASP HB2 . 19703 1 103 . 1 1 10 10 ASP HB3 H 1 2.989 0.000 . . . . . A 10 ASP HB3 . 19703 1 104 . 1 1 10 10 ASP C C 13 177.083 0.005 . . . . . A 10 ASP C . 19703 1 105 . 1 1 10 10 ASP CA C 13 53.302 0.077 . . . . . A 10 ASP CA . 19703 1 106 . 1 1 10 10 ASP CB C 13 39.571 0.016 . . . . . A 10 ASP CB . 19703 1 107 . 1 1 10 10 ASP N N 15 113.865 0.028 . . . . . A 10 ASP N . 19703 1 108 . 1 1 11 11 GLY H H 1 8.538 0.012 . . . . . A 11 GLY H . 19703 1 109 . 1 1 11 11 GLY HA2 H 1 4.275 0.008 . . . . . A 11 GLY HA2 . 19703 1 110 . 1 1 11 11 GLY HA3 H 1 3.483 0.001 . . . . . A 11 GLY HA3 . 19703 1 111 . 1 1 11 11 GLY C C 13 174.638 0.000 . . . . . A 11 GLY C . 19703 1 112 . 1 1 11 11 GLY CA C 13 44.844 0.054 . . . . . A 11 GLY CA . 19703 1 113 . 1 1 11 11 GLY N N 15 109.808 0.030 . . . . . A 11 GLY N . 19703 1 114 . 1 1 12 12 SER H H 1 8.233 0.009 . . . . . A 12 SER H . 19703 1 115 . 1 1 12 12 SER HA H 1 4.224 0.010 . . . . . A 12 SER HA . 19703 1 116 . 1 1 12 12 SER HB3 H 1 3.863 0.000 . . . . . A 12 SER HB3 . 19703 1 117 . 1 1 12 12 SER C C 13 172.370 0.014 . . . . . A 12 SER C . 19703 1 118 . 1 1 12 12 SER CA C 13 59.344 0.043 . . . . . A 12 SER CA . 19703 1 119 . 1 1 12 12 SER CB C 13 63.909 0.051 . . . . . A 12 SER CB . 19703 1 120 . 1 1 12 12 SER N N 15 118.381 0.042 . . . . . A 12 SER N . 19703 1 121 . 1 1 13 13 ARG H H 1 8.386 0.010 . . . . . A 13 ARG H . 19703 1 122 . 1 1 13 13 ARG HA H 1 5.322 0.004 . . . . . A 13 ARG HA . 19703 1 123 . 1 1 13 13 ARG HB2 H 1 1.550 0.004 . . . . . A 13 ARG HB2 . 19703 1 124 . 1 1 13 13 ARG HG3 H 1 1.410 0.000 . . . . . A 13 ARG HG3 . 19703 1 125 . 1 1 13 13 ARG HD2 H 1 3.097 0.000 . . . . . A 13 ARG HD2 . 19703 1 126 . 1 1 13 13 ARG C C 13 175.622 0.006 . . . . . A 13 ARG C . 19703 1 127 . 1 1 13 13 ARG CA C 13 54.652 0.132 . . . . . A 13 ARG CA . 19703 1 128 . 1 1 13 13 ARG CB C 13 33.616 0.065 . . . . . A 13 ARG CB . 19703 1 129 . 1 1 13 13 ARG CG C 13 26.876 0.000 . . . . . A 13 ARG CG . 19703 1 130 . 1 1 13 13 ARG CD C 13 43.901 0.000 . . . . . A 13 ARG CD . 19703 1 131 . 1 1 13 13 ARG N N 15 119.429 0.100 . . . . . A 13 ARG N . 19703 1 132 . 1 1 14 14 LYS H H 1 8.313 0.013 . . . . . A 14 LYS H . 19703 1 133 . 1 1 14 14 LYS HA H 1 4.409 0.007 . . . . . A 14 LYS HA . 19703 1 134 . 1 1 14 14 LYS HB2 H 1 1.547 0.009 . . . . . A 14 LYS HB2 . 19703 1 135 . 1 1 14 14 LYS HB3 H 1 1.413 0.006 . . . . . A 14 LYS HB3 . 19703 1 136 . 1 1 14 14 LYS HG3 H 1 1.217 0.000 . . . . . A 14 LYS HG3 . 19703 1 137 . 1 1 14 14 LYS HD3 H 1 1.320 0.000 . . . . . A 14 LYS HD3 . 19703 1 138 . 1 1 14 14 LYS HE3 H 1 2.910 0.000 . . . . . A 14 LYS HE3 . 19703 1 139 . 1 1 14 14 LYS C C 13 173.900 0.010 . . . . . A 14 LYS C . 19703 1 140 . 1 1 14 14 LYS CA C 13 55.236 0.057 . . . . . A 14 LYS CA . 19703 1 141 . 1 1 14 14 LYS CB C 13 37.200 0.018 . . . . . A 14 LYS CB . 19703 1 142 . 1 1 14 14 LYS CG C 13 25.180 0.000 . . . . . A 14 LYS CG . 19703 1 143 . 1 1 14 14 LYS CD C 13 28.826 0.000 . . . . . A 14 LYS CD . 19703 1 144 . 1 1 14 14 LYS CE C 13 42.440 0.000 . . . . . A 14 LYS CE . 19703 1 145 . 1 1 14 14 LYS N N 15 122.872 0.036 . . . . . A 14 LYS N . 19703 1 146 . 1 1 15 15 THR H H 1 8.058 0.010 . . . . . A 15 THR H . 19703 1 147 . 1 1 15 15 THR HA H 1 5.021 0.005 . . . . . A 15 THR HA . 19703 1 148 . 1 1 15 15 THR HB H 1 3.460 0.002 . . . . . A 15 THR HB . 19703 1 149 . 1 1 15 15 THR HG21 H 1 0.936 0.000 . . . . . A 15 THR HG21 . 19703 1 150 . 1 1 15 15 THR HG22 H 1 0.936 0.000 . . . . . A 15 THR HG22 . 19703 1 151 . 1 1 15 15 THR HG23 H 1 0.936 0.000 . . . . . A 15 THR HG23 . 19703 1 152 . 1 1 15 15 THR C C 13 173.125 0.000 . . . . . A 15 THR C . 19703 1 153 . 1 1 15 15 THR CA C 13 61.744 0.075 . . . . . A 15 THR CA . 19703 1 154 . 1 1 15 15 THR CB C 13 70.674 0.052 . . . . . A 15 THR CB . 19703 1 155 . 1 1 15 15 THR CG2 C 13 22.923 0.000 . . . . . A 15 THR CG2 . 19703 1 156 . 1 1 15 15 THR N N 15 119.577 0.029 . . . . . A 15 THR N . 19703 1 157 . 1 1 16 16 TYR H H 1 9.192 0.013 . . . . . A 16 TYR H . 19703 1 158 . 1 1 16 16 TYR HA H 1 4.793 0.001 . . . . . A 16 TYR HA . 19703 1 159 . 1 1 16 16 TYR HB2 H 1 2.249 0.000 . . . . . A 16 TYR HB2 . 19703 1 160 . 1 1 16 16 TYR HB3 H 1 3.023 0.000 . . . . . A 16 TYR HB3 . 19703 1 161 . 1 1 16 16 TYR HD1 H 1 6.876 0.000 . . . . . A 16 TYR HD1 . 19703 1 162 . 1 1 16 16 TYR HD2 H 1 6.876 0.000 . . . . . A 16 TYR HD2 . 19703 1 163 . 1 1 16 16 TYR HE1 H 1 6.439 0.000 . . . . . A 16 TYR HE1 . 19703 1 164 . 1 1 16 16 TYR HE2 H 1 6.439 0.000 . . . . . A 16 TYR HE2 . 19703 1 165 . 1 1 16 16 TYR C C 13 174.110 0.000 . . . . . A 16 TYR C . 19703 1 166 . 1 1 16 16 TYR CA C 13 56.177 0.047 . . . . . A 16 TYR CA . 19703 1 167 . 1 1 16 16 TYR CB C 13 43.856 0.027 . . . . . A 16 TYR CB . 19703 1 168 . 1 1 16 16 TYR N N 15 124.739 0.040 . . . . . A 16 TYR N . 19703 1 169 . 1 1 17 17 GLU H H 1 8.485 0.015 . . . . . A 17 GLU H . 19703 1 170 . 1 1 17 17 GLU HA H 1 4.402 0.004 . . . . . A 17 GLU HA . 19703 1 171 . 1 1 17 17 GLU HB2 H 1 1.774 0.013 . . . . . A 17 GLU HB2 . 19703 1 172 . 1 1 17 17 GLU HB3 H 1 1.689 0.011 . . . . . A 17 GLU HB3 . 19703 1 173 . 1 1 17 17 GLU HG2 H 1 2.084 0.000 . . . . . A 17 GLU HG2 . 19703 1 174 . 1 1 17 17 GLU HG3 H 1 1.977 0.000 . . . . . A 17 GLU HG3 . 19703 1 175 . 1 1 17 17 GLU C C 13 175.431 0.000 . . . . . A 17 GLU C . 19703 1 176 . 1 1 17 17 GLU CA C 13 55.885 0.058 . . . . . A 17 GLU CA . 19703 1 177 . 1 1 17 17 GLU CB C 13 30.772 0.048 . . . . . A 17 GLU CB . 19703 1 178 . 1 1 17 17 GLU CG C 13 36.705 0.000 . . . . . A 17 GLU CG . 19703 1 179 . 1 1 17 17 GLU N N 15 120.492 0.052 . . . . . A 17 GLU N . 19703 1 180 . 1 1 18 18 ALA H H 1 8.394 0.012 . . . . . A 18 ALA H . 19703 1 181 . 1 1 18 18 ALA HA H 1 4.289 0.001 . . . . . A 18 ALA HA . 19703 1 182 . 1 1 18 18 ALA HB1 H 1 1.163 0.000 . . . . . A 18 ALA HB1 . 19703 1 183 . 1 1 18 18 ALA HB2 H 1 1.163 0.000 . . . . . A 18 ALA HB2 . 19703 1 184 . 1 1 18 18 ALA HB3 H 1 1.163 0.000 . . . . . A 18 ALA HB3 . 19703 1 185 . 1 1 18 18 ALA C C 13 176.561 0.016 . . . . . A 18 ALA C . 19703 1 186 . 1 1 18 18 ALA CA C 13 50.368 0.049 . . . . . A 18 ALA CA . 19703 1 187 . 1 1 18 18 ALA CB C 13 22.174 0.034 . . . . . A 18 ALA CB . 19703 1 188 . 1 1 18 18 ALA N N 15 127.314 0.031 . . . . . A 18 ALA N . 19703 1 189 . 1 1 19 19 TYR H H 1 8.588 0.008 . . . . . A 19 TYR H . 19703 1 190 . 1 1 19 19 TYR HA H 1 4.698 0.007 . . . . . A 19 TYR HA . 19703 1 191 . 1 1 19 19 TYR HB2 H 1 2.615 0.000 . . . . . A 19 TYR HB2 . 19703 1 192 . 1 1 19 19 TYR HB3 H 1 2.856 0.000 . . . . . A 19 TYR HB3 . 19703 1 193 . 1 1 19 19 TYR HD1 H 1 6.942 0.000 . . . . . A 19 TYR HD1 . 19703 1 194 . 1 1 19 19 TYR HD2 H 1 6.942 0.000 . . . . . A 19 TYR HD2 . 19703 1 195 . 1 1 19 19 TYR HE1 H 1 6.616 0.000 . . . . . A 19 TYR HE1 . 19703 1 196 . 1 1 19 19 TYR HE2 H 1 6.616 0.000 . . . . . A 19 TYR HE2 . 19703 1 197 . 1 1 19 19 TYR C C 13 175.697 0.005 . . . . . A 19 TYR C . 19703 1 198 . 1 1 19 19 TYR CA C 13 55.217 0.051 . . . . . A 19 TYR CA . 19703 1 199 . 1 1 19 19 TYR CB C 13 38.407 0.042 . . . . . A 19 TYR CB . 19703 1 200 . 1 1 19 19 TYR N N 15 118.845 0.044 . . . . . A 19 TYR N . 19703 1 201 . 1 1 20 20 ASP H H 1 8.280 0.014 . . . . . A 20 ASP H . 19703 1 202 . 1 1 20 20 ASP HA H 1 4.176 0.002 . . . . . A 20 ASP HA . 19703 1 203 . 1 1 20 20 ASP HB3 H 1 2.550 0.000 . . . . . A 20 ASP HB3 . 19703 1 204 . 1 1 20 20 ASP C C 13 176.460 0.000 . . . . . A 20 ASP C . 19703 1 205 . 1 1 20 20 ASP CA C 13 55.993 0.097 . . . . . A 20 ASP CA . 19703 1 206 . 1 1 20 20 ASP CB C 13 41.290 0.005 . . . . . A 20 ASP CB . 19703 1 207 . 1 1 20 20 ASP N N 15 121.106 0.043 . . . . . A 20 ASP N . 19703 1 208 . 1 1 21 21 GLY H H 1 9.011 0.016 . . . . . A 21 GLY H . 19703 1 209 . 1 1 21 21 GLY HA2 H 1 3.345 0.002 . . . . . A 21 GLY HA2 . 19703 1 210 . 1 1 21 21 GLY HA3 H 1 4.216 0.008 . . . . . A 21 GLY HA3 . 19703 1 211 . 1 1 21 21 GLY C C 13 173.948 0.000 . . . . . A 21 GLY C . 19703 1 212 . 1 1 21 21 GLY CA C 13 45.288 0.078 . . . . . A 21 GLY CA . 19703 1 213 . 1 1 21 21 GLY N N 15 115.001 0.023 . . . . . A 21 GLY N . 19703 1 214 . 1 1 22 22 GLU H H 1 7.856 0.013 . . . . . A 22 GLU H . 19703 1 215 . 1 1 22 22 GLU HA H 1 4.517 0.003 . . . . . A 22 GLU HA . 19703 1 216 . 1 1 22 22 GLU HB2 H 1 2.000 0.000 . . . . . A 22 GLU HB2 . 19703 1 217 . 1 1 22 22 GLU HB3 H 1 1.811 0.005 . . . . . A 22 GLU HB3 . 19703 1 218 . 1 1 22 22 GLU HG2 H 1 2.246 0.000 . . . . . A 22 GLU HG2 . 19703 1 219 . 1 1 22 22 GLU HG3 H 1 2.864 0.000 . . . . . A 22 GLU HG3 . 19703 1 220 . 1 1 22 22 GLU C C 13 175.114 0.000 . . . . . A 22 GLU C . 19703 1 221 . 1 1 22 22 GLU CA C 13 55.077 0.003 . . . . . A 22 GLU CA . 19703 1 222 . 1 1 22 22 GLU CB C 13 30.747 0.086 . . . . . A 22 GLU CB . 19703 1 223 . 1 1 22 22 GLU CG C 13 35.408 0.000 . . . . . A 22 GLU CG . 19703 1 224 . 1 1 22 22 GLU N N 15 121.980 0.036 . . . . . A 22 GLU N . 19703 1 225 . 1 1 23 23 THR H H 1 8.234 0.013 . . . . . A 23 THR H . 19703 1 226 . 1 1 23 23 THR HA H 1 5.382 0.007 . . . . . A 23 THR HA . 19703 1 227 . 1 1 23 23 THR HB H 1 4.452 0.006 . . . . . A 23 THR HB . 19703 1 228 . 1 1 23 23 THR HG21 H 1 1.221 0.000 . . . . . A 23 THR HG21 . 19703 1 229 . 1 1 23 23 THR HG22 H 1 1.221 0.000 . . . . . A 23 THR HG22 . 19703 1 230 . 1 1 23 23 THR HG23 H 1 1.221 0.000 . . . . . A 23 THR HG23 . 19703 1 231 . 1 1 23 23 THR C C 13 176.857 0.018 . . . . . A 23 THR C . 19703 1 232 . 1 1 23 23 THR CA C 13 60.549 0.054 . . . . . A 23 THR CA . 19703 1 233 . 1 1 23 23 THR CB C 13 72.554 0.013 . . . . . A 23 THR CB . 19703 1 234 . 1 1 23 23 THR CG2 C 13 21.950 0.000 . . . . . A 23 THR CG2 . 19703 1 235 . 1 1 23 23 THR N N 15 110.390 0.036 . . . . . A 23 THR N . 19703 1 236 . 1 1 24 24 LEU H H 1 8.410 0.014 . . . . . A 24 LEU H . 19703 1 237 . 1 1 24 24 LEU HA H 1 4.022 0.016 . . . . . A 24 LEU HA . 19703 1 238 . 1 1 24 24 LEU HB3 H 1 2.148 0.014 . . . . . A 24 LEU HB3 . 19703 1 239 . 1 1 24 24 LEU HG H 1 1.453 0.000 . . . . . A 24 LEU HG . 19703 1 240 . 1 1 24 24 LEU HD11 H 1 0.760 0.000 . . . . . A 24 LEU HD11 . 19703 1 241 . 1 1 24 24 LEU HD12 H 1 0.760 0.000 . . . . . A 24 LEU HD12 . 19703 1 242 . 1 1 24 24 LEU HD13 H 1 0.760 0.000 . . . . . A 24 LEU HD13 . 19703 1 243 . 1 1 24 24 LEU C C 13 178.102 0.000 . . . . . A 24 LEU C . 19703 1 244 . 1 1 24 24 LEU CA C 13 58.076 0.062 . . . . . A 24 LEU CA . 19703 1 245 . 1 1 24 24 LEU CB C 13 41.982 0.016 . . . . . A 24 LEU CB . 19703 1 246 . 1 1 24 24 LEU CG C 13 27.276 0.000 . . . . . A 24 LEU CG . 19703 1 247 . 1 1 24 24 LEU CD2 C 13 26.621 0.000 . . . . . A 24 LEU CD2 . 19703 1 248 . 1 1 24 24 LEU N N 15 120.243 0.039 . . . . . A 24 LEU N . 19703 1 249 . 1 1 25 25 LEU H H 1 6.645 0.018 . . . . . A 25 LEU H . 19703 1 250 . 1 1 25 25 LEU HA H 1 3.772 0.000 . . . . . A 25 LEU HA . 19703 1 251 . 1 1 25 25 LEU HB2 H 1 2.517 0.000 . . . . . A 25 LEU HB2 . 19703 1 252 . 1 1 25 25 LEU HB3 H 1 2.652 0.000 . . . . . A 25 LEU HB3 . 19703 1 253 . 1 1 25 25 LEU C C 13 176.517 0.000 . . . . . A 25 LEU C . 19703 1 254 . 1 1 25 25 LEU CA C 13 57.593 0.073 . . . . . A 25 LEU CA . 19703 1 255 . 1 1 25 25 LEU CB C 13 42.559 0.013 . . . . . A 25 LEU CB . 19703 1 256 . 1 1 25 25 LEU N N 15 116.005 0.034 . . . . . A 25 LEU N . 19703 1 257 . 1 1 26 26 SER H H 1 7.847 0.025 . . . . . A 26 SER H . 19703 1 258 . 1 1 26 26 SER HA H 1 4.061 0.000 . . . . . A 26 SER HA . 19703 1 259 . 1 1 26 26 SER C C 13 177.287 0.000 . . . . . A 26 SER C . 19703 1 260 . 1 1 26 26 SER CA C 13 61.413 0.098 . . . . . A 26 SER CA . 19703 1 261 . 1 1 26 26 SER CB C 13 62.377 0.003 . . . . . A 26 SER CB . 19703 1 262 . 1 1 26 26 SER N N 15 115.141 0.190 . . . . . A 26 SER N . 19703 1 263 . 1 1 27 27 LEU H H 1 7.869 0.019 . . . . . A 27 LEU H . 19703 1 264 . 1 1 27 27 LEU HA H 1 3.837 0.004 . . . . . A 27 LEU HA . 19703 1 265 . 1 1 27 27 LEU HB2 H 1 1.433 0.004 . . . . . A 27 LEU HB2 . 19703 1 266 . 1 1 27 27 LEU HB3 H 1 1.853 0.005 . . . . . A 27 LEU HB3 . 19703 1 267 . 1 1 27 27 LEU HG H 1 1.209 0.000 . . . . . A 27 LEU HG . 19703 1 268 . 1 1 27 27 LEU HD11 H 1 0.646 0.000 . . . . . A 27 LEU HD11 . 19703 1 269 . 1 1 27 27 LEU HD12 H 1 0.646 0.000 . . . . . A 27 LEU HD12 . 19703 1 270 . 1 1 27 27 LEU HD13 H 1 0.646 0.000 . . . . . A 27 LEU HD13 . 19703 1 271 . 1 1 27 27 LEU HD21 H 1 0.744 0.000 . . . . . A 27 LEU HD21 . 19703 1 272 . 1 1 27 27 LEU HD22 H 1 0.744 0.000 . . . . . A 27 LEU HD22 . 19703 1 273 . 1 1 27 27 LEU HD23 H 1 0.744 0.000 . . . . . A 27 LEU HD23 . 19703 1 274 . 1 1 27 27 LEU C C 13 179.116 0.000 . . . . . A 27 LEU C . 19703 1 275 . 1 1 27 27 LEU CA C 13 58.435 0.034 . . . . . A 27 LEU CA . 19703 1 276 . 1 1 27 27 LEU CB C 13 41.586 0.034 . . . . . A 27 LEU CB . 19703 1 277 . 1 1 27 27 LEU CG C 13 26.985 0.000 . . . . . A 27 LEU CG . 19703 1 278 . 1 1 27 27 LEU CD1 C 13 25.440 0.000 . . . . . A 27 LEU CD1 . 19703 1 279 . 1 1 27 27 LEU CD2 C 13 24.329 0.000 . . . . . A 27 LEU CD2 . 19703 1 280 . 1 1 27 27 LEU N N 15 122.244 0.064 . . . . . A 27 LEU N . 19703 1 281 . 1 1 28 28 ALA H H 1 8.002 0.032 . . . . . A 28 ALA H . 19703 1 282 . 1 1 28 28 ALA HA H 1 3.278 0.004 . . . . . A 28 ALA HA . 19703 1 283 . 1 1 28 28 ALA HB1 H 1 1.252 0.001 . . . . . A 28 ALA HB1 . 19703 1 284 . 1 1 28 28 ALA HB2 H 1 1.252 0.001 . . . . . A 28 ALA HB2 . 19703 1 285 . 1 1 28 28 ALA HB3 H 1 1.252 0.001 . . . . . A 28 ALA HB3 . 19703 1 286 . 1 1 28 28 ALA C C 13 179.545 0.000 . . . . . A 28 ALA C . 19703 1 287 . 1 1 28 28 ALA CA C 13 54.696 0.039 . . . . . A 28 ALA CA . 19703 1 288 . 1 1 28 28 ALA CB C 13 18.423 0.028 . . . . . A 28 ALA CB . 19703 1 289 . 1 1 28 28 ALA N N 15 120.875 0.051 . . . . . A 28 ALA N . 19703 1 290 . 1 1 29 29 HIS H H 1 8.587 0.016 . . . . . A 29 HIS H . 19703 1 291 . 1 1 29 29 HIS HA H 1 4.538 0.013 . . . . . A 29 HIS HA . 19703 1 292 . 1 1 29 29 HIS HB2 H 1 3.212 0.000 . . . . . A 29 HIS HB2 . 19703 1 293 . 1 1 29 29 HIS HB3 H 1 3.147 0.000 . . . . . A 29 HIS HB3 . 19703 1 294 . 1 1 29 29 HIS C C 13 178.985 0.009 . . . . . A 29 HIS C . 19703 1 295 . 1 1 29 29 HIS CA C 13 57.620 0.079 . . . . . A 29 HIS CA . 19703 1 296 . 1 1 29 29 HIS CB C 13 28.961 0.035 . . . . . A 29 HIS CB . 19703 1 297 . 1 1 29 29 HIS N N 15 117.818 0.651 . . . . . A 29 HIS N . 19703 1 298 . 1 1 30 30 ARG H H 1 8.264 0.017 . . . . . A 30 ARG H . 19703 1 299 . 1 1 30 30 ARG HA H 1 4.111 0.010 . . . . . A 30 ARG HA . 19703 1 300 . 1 1 30 30 ARG HB2 H 1 1.870 0.007 . . . . . A 30 ARG HB2 . 19703 1 301 . 1 1 30 30 ARG HB3 H 1 1.704 0.005 . . . . . A 30 ARG HB3 . 19703 1 302 . 1 1 30 30 ARG HG3 H 1 1.581 0.000 . . . . . A 30 ARG HG3 . 19703 1 303 . 1 1 30 30 ARG HD2 H 1 3.191 0.000 . . . . . A 30 ARG HD2 . 19703 1 304 . 1 1 30 30 ARG C C 13 176.361 0.002 . . . . . A 30 ARG C . 19703 1 305 . 1 1 30 30 ARG CA C 13 58.818 0.040 . . . . . A 30 ARG CA . 19703 1 306 . 1 1 30 30 ARG CB C 13 30.001 0.091 . . . . . A 30 ARG CB . 19703 1 307 . 1 1 30 30 ARG CG C 13 28.313 0.000 . . . . . A 30 ARG CG . 19703 1 308 . 1 1 30 30 ARG CD C 13 43.022 0.000 . . . . . A 30 ARG CD . 19703 1 309 . 1 1 30 30 ARG N N 15 118.408 0.072 . . . . . A 30 ARG N . 19703 1 310 . 1 1 31 31 ASN H H 1 6.906 0.012 . . . . . A 31 ASN H . 19703 1 311 . 1 1 31 31 ASN HA H 1 4.578 0.008 . . . . . A 31 ASN HA . 19703 1 312 . 1 1 31 31 ASN HB2 H 1 1.479 0.000 . . . . . A 31 ASN HB2 . 19703 1 313 . 1 1 31 31 ASN HB3 H 1 2.125 0.000 . . . . . A 31 ASN HB3 . 19703 1 314 . 1 1 31 31 ASN C C 13 172.703 0.006 . . . . . A 31 ASN C . 19703 1 315 . 1 1 31 31 ASN CA C 13 53.405 0.074 . . . . . A 31 ASN CA . 19703 1 316 . 1 1 31 31 ASN CB C 13 40.339 0.006 . . . . . A 31 ASN CB . 19703 1 317 . 1 1 31 31 ASN N N 15 114.401 0.083 . . . . . A 31 ASN N . 19703 1 318 . 1 1 32 32 ASN H H 1 7.637 0.012 . . . . . A 32 ASN H . 19703 1 319 . 1 1 32 32 ASN HA H 1 4.232 0.002 . . . . . A 32 ASN HA . 19703 1 320 . 1 1 32 32 ASN HB2 H 1 2.900 0.000 . . . . . A 32 ASN HB2 . 19703 1 321 . 1 1 32 32 ASN HB3 H 1 2.627 0.002 . . . . . A 32 ASN HB3 . 19703 1 322 . 1 1 32 32 ASN HD21 H 1 6.709 0.005 . . . . . A 32 ASN HD21 . 19703 1 323 . 1 1 32 32 ASN HD22 H 1 7.439 0.007 . . . . . A 32 ASN HD22 . 19703 1 324 . 1 1 32 32 ASN C C 13 174.118 0.001 . . . . . A 32 ASN C . 19703 1 325 . 1 1 32 32 ASN CA C 13 54.845 0.053 . . . . . A 32 ASN CA . 19703 1 326 . 1 1 32 32 ASN CB C 13 36.966 0.037 . . . . . A 32 ASN CB . 19703 1 327 . 1 1 32 32 ASN N N 15 114.697 0.029 . . . . . A 32 ASN N . 19703 1 328 . 1 1 32 32 ASN ND2 N 15 112.385 0.048 . . . . . A 32 ASN ND2 . 19703 1 329 . 1 1 33 33 VAL H H 1 8.003 0.008 . . . . . A 33 VAL H . 19703 1 330 . 1 1 33 33 VAL HA H 1 3.508 0.007 . . . . . A 33 VAL HA . 19703 1 331 . 1 1 33 33 VAL HB H 1 1.258 0.001 . . . . . A 33 VAL HB . 19703 1 332 . 1 1 33 33 VAL HG11 H 1 0.179 0.002 . . . . . A 33 VAL HG11 . 19703 1 333 . 1 1 33 33 VAL HG12 H 1 0.179 0.002 . . . . . A 33 VAL HG12 . 19703 1 334 . 1 1 33 33 VAL HG13 H 1 0.179 0.002 . . . . . A 33 VAL HG13 . 19703 1 335 . 1 1 33 33 VAL C C 13 176.639 0.004 . . . . . A 33 VAL C . 19703 1 336 . 1 1 33 33 VAL CA C 13 62.163 0.091 . . . . . A 33 VAL CA . 19703 1 337 . 1 1 33 33 VAL CB C 13 31.566 0.044 . . . . . A 33 VAL CB . 19703 1 338 . 1 1 33 33 VAL CG1 C 13 20.627 0.009 . . . . . A 33 VAL CG1 . 19703 1 339 . 1 1 33 33 VAL CG2 C 13 21.994 0.000 . . . . . A 33 VAL CG2 . 19703 1 340 . 1 1 33 33 VAL N N 15 119.649 0.068 . . . . . A 33 VAL N . 19703 1 341 . 1 1 34 34 ASP H H 1 8.469 0.017 . . . . . A 34 ASP H . 19703 1 342 . 1 1 34 34 ASP HA H 1 4.381 0.004 . . . . . A 34 ASP HA . 19703 1 343 . 1 1 34 34 ASP HB2 H 1 2.738 0.000 . . . . . A 34 ASP HB2 . 19703 1 344 . 1 1 34 34 ASP HB3 H 1 2.353 0.000 . . . . . A 34 ASP HB3 . 19703 1 345 . 1 1 34 34 ASP C C 13 172.933 0.022 . . . . . A 34 ASP C . 19703 1 346 . 1 1 34 34 ASP CA C 13 54.311 0.081 . . . . . A 34 ASP CA . 19703 1 347 . 1 1 34 34 ASP CB C 13 39.063 0.017 . . . . . A 34 ASP CB . 19703 1 348 . 1 1 34 34 ASP N N 15 128.347 0.051 . . . . . A 34 ASP N . 19703 1 349 . 1 1 35 35 LEU H H 1 7.864 0.009 . . . . . A 35 LEU H . 19703 1 350 . 1 1 35 35 LEU HA H 1 4.391 0.000 . . . . . A 35 LEU HA . 19703 1 351 . 1 1 35 35 LEU C C 13 174.747 0.000 . . . . . A 35 LEU C . 19703 1 352 . 1 1 35 35 LEU CA C 13 54.105 0.163 . . . . . A 35 LEU CA . 19703 1 353 . 1 1 35 35 LEU N N 15 127.456 0.056 . . . . . A 35 LEU N . 19703 1 354 . 1 1 49 49 HIS HA H 1 4.857 0.000 . . . . . A 49 HIS HA . 19703 1 355 . 1 1 49 49 HIS HB2 H 1 3.080 0.000 . . . . . A 49 HIS HB2 . 19703 1 356 . 1 1 49 49 HIS C C 13 173.176 0.000 . . . . . A 49 HIS C . 19703 1 357 . 1 1 49 49 HIS CA C 13 55.342 0.000 . . . . . A 49 HIS CA . 19703 1 358 . 1 1 49 49 HIS CB C 13 29.958 0.000 . . . . . A 49 HIS CB . 19703 1 359 . 1 1 50 50 VAL H H 1 9.210 0.008 . . . . . A 50 VAL H . 19703 1 360 . 1 1 50 50 VAL HA H 1 4.327 0.010 . . . . . A 50 VAL HA . 19703 1 361 . 1 1 50 50 VAL HB H 1 1.771 0.002 . . . . . A 50 VAL HB . 19703 1 362 . 1 1 50 50 VAL HG11 H 1 0.557 0.000 . . . . . A 50 VAL HG11 . 19703 1 363 . 1 1 50 50 VAL HG12 H 1 0.557 0.000 . . . . . A 50 VAL HG12 . 19703 1 364 . 1 1 50 50 VAL HG13 H 1 0.557 0.000 . . . . . A 50 VAL HG13 . 19703 1 365 . 1 1 50 50 VAL HG21 H 1 0.865 0.000 . . . . . A 50 VAL HG21 . 19703 1 366 . 1 1 50 50 VAL HG22 H 1 0.865 0.000 . . . . . A 50 VAL HG22 . 19703 1 367 . 1 1 50 50 VAL HG23 H 1 0.865 0.000 . . . . . A 50 VAL HG23 . 19703 1 368 . 1 1 50 50 VAL C C 13 172.122 0.000 . . . . . A 50 VAL C . 19703 1 369 . 1 1 50 50 VAL CA C 13 59.245 0.051 . . . . . A 50 VAL CA . 19703 1 370 . 1 1 50 50 VAL CB C 13 35.976 0.065 . . . . . A 50 VAL CB . 19703 1 371 . 1 1 50 50 VAL CG1 C 13 21.847 0.000 . . . . . A 50 VAL CG1 . 19703 1 372 . 1 1 50 50 VAL CG2 C 13 23.176 0.000 . . . . . A 50 VAL CG2 . 19703 1 373 . 1 1 50 50 VAL N N 15 119.554 0.016 . . . . . A 50 VAL N . 19703 1 374 . 1 1 51 51 ILE H H 1 8.279 0.018 . . . . . A 51 ILE H . 19703 1 375 . 1 1 51 51 ILE HA H 1 4.021 0.001 . . . . . A 51 ILE HA . 19703 1 376 . 1 1 51 51 ILE HB H 1 1.740 0.001 . . . . . A 51 ILE HB . 19703 1 377 . 1 1 51 51 ILE HG12 H 1 1.108 0.000 . . . . . A 51 ILE HG12 . 19703 1 378 . 1 1 51 51 ILE HG13 H 1 0.967 0.004 . . . . . A 51 ILE HG13 . 19703 1 379 . 1 1 51 51 ILE HG21 H 1 0.662 0.000 . . . . . A 51 ILE HG21 . 19703 1 380 . 1 1 51 51 ILE HG22 H 1 0.662 0.000 . . . . . A 51 ILE HG22 . 19703 1 381 . 1 1 51 51 ILE HG23 H 1 0.662 0.000 . . . . . A 51 ILE HG23 . 19703 1 382 . 1 1 51 51 ILE HD11 H 1 0.670 0.002 . . . . . A 51 ILE HD11 . 19703 1 383 . 1 1 51 51 ILE HD12 H 1 0.670 0.002 . . . . . A 51 ILE HD12 . 19703 1 384 . 1 1 51 51 ILE HD13 H 1 0.670 0.002 . . . . . A 51 ILE HD13 . 19703 1 385 . 1 1 51 51 ILE C C 13 175.868 0.080 . . . . . A 51 ILE C . 19703 1 386 . 1 1 51 51 ILE CA C 13 61.108 0.085 . . . . . A 51 ILE CA . 19703 1 387 . 1 1 51 51 ILE CB C 13 39.340 0.069 . . . . . A 51 ILE CB . 19703 1 388 . 1 1 51 51 ILE CG1 C 13 27.900 0.000 . . . . . A 51 ILE CG1 . 19703 1 389 . 1 1 51 51 ILE CG2 C 13 17.032 0.000 . . . . . A 51 ILE CG2 . 19703 1 390 . 1 1 51 51 ILE CD1 C 13 14.884 0.048 . . . . . A 51 ILE CD1 . 19703 1 391 . 1 1 51 51 ILE N N 15 121.739 0.053 . . . . . A 51 ILE N . 19703 1 392 . 1 1 52 52 ILE H H 1 8.454 0.012 . . . . . A 52 ILE H . 19703 1 393 . 1 1 52 52 ILE HA H 1 4.027 0.005 . . . . . A 52 ILE HA . 19703 1 394 . 1 1 52 52 ILE HB H 1 2.526 0.005 . . . . . A 52 ILE HB . 19703 1 395 . 1 1 52 52 ILE HG12 H 1 2.040 0.000 . . . . . A 52 ILE HG12 . 19703 1 396 . 1 1 52 52 ILE HG21 H 1 1.220 0.000 . . . . . A 52 ILE HG21 . 19703 1 397 . 1 1 52 52 ILE HG22 H 1 1.220 0.000 . . . . . A 52 ILE HG22 . 19703 1 398 . 1 1 52 52 ILE HG23 H 1 1.220 0.000 . . . . . A 52 ILE HG23 . 19703 1 399 . 1 1 52 52 ILE HD11 H 1 0.553 0.007 . . . . . A 52 ILE HD11 . 19703 1 400 . 1 1 52 52 ILE HD12 H 1 0.553 0.007 . . . . . A 52 ILE HD12 . 19703 1 401 . 1 1 52 52 ILE HD13 H 1 0.553 0.007 . . . . . A 52 ILE HD13 . 19703 1 402 . 1 1 52 52 ILE C C 13 176.343 0.000 . . . . . A 52 ILE C . 19703 1 403 . 1 1 52 52 ILE CA C 13 58.856 0.033 . . . . . A 52 ILE CA . 19703 1 404 . 1 1 52 52 ILE CB C 13 35.576 0.089 . . . . . A 52 ILE CB . 19703 1 405 . 1 1 52 52 ILE CG1 C 13 27.540 0.000 . . . . . A 52 ILE CG1 . 19703 1 406 . 1 1 52 52 ILE CG2 C 13 18.508 0.000 . . . . . A 52 ILE CG2 . 19703 1 407 . 1 1 52 52 ILE CD1 C 13 9.098 0.090 . . . . . A 52 ILE CD1 . 19703 1 408 . 1 1 52 52 ILE N N 15 126.048 0.022 . . . . . A 52 ILE N . 19703 1 409 . 1 1 53 53 ASP H H 1 7.698 0.012 . . . . . A 53 ASP H . 19703 1 410 . 1 1 53 53 ASP C C 13 176.811 0.000 . . . . . A 53 ASP C . 19703 1 411 . 1 1 53 53 ASP CA C 13 54.125 0.000 . . . . . A 53 ASP CA . 19703 1 412 . 1 1 53 53 ASP CB C 13 44.609 0.000 . . . . . A 53 ASP CB . 19703 1 413 . 1 1 53 53 ASP N N 15 127.679 0.038 . . . . . A 53 ASP N . 19703 1 414 . 1 1 54 54 PRO HA H 1 4.188 0.004 . . . . . A 54 PRO HA . 19703 1 415 . 1 1 54 54 PRO HB2 H 1 2.011 0.006 . . . . . A 54 PRO HB2 . 19703 1 416 . 1 1 54 54 PRO HB3 H 1 2.368 0.002 . . . . . A 54 PRO HB3 . 19703 1 417 . 1 1 54 54 PRO HG2 H 1 2.106 0.000 . . . . . A 54 PRO HG2 . 19703 1 418 . 1 1 54 54 PRO HD3 H 1 3.786 0.000 . . . . . A 54 PRO HD3 . 19703 1 419 . 1 1 54 54 PRO C C 13 178.175 0.000 . . . . . A 54 PRO C . 19703 1 420 . 1 1 54 54 PRO CA C 13 66.346 0.043 . . . . . A 54 PRO CA . 19703 1 421 . 1 1 54 54 PRO CB C 13 32.210 0.000 . . . . . A 54 PRO CB . 19703 1 422 . 1 1 54 54 PRO CG C 13 27.587 0.000 . . . . . A 54 PRO CG . 19703 1 423 . 1 1 54 54 PRO CD C 13 51.423 0.000 . . . . . A 54 PRO CD . 19703 1 424 . 1 1 55 55 SER H H 1 8.853 0.010 . . . . . A 55 SER H . 19703 1 425 . 1 1 55 55 SER HA H 1 4.282 0.001 . . . . . A 55 SER HA . 19703 1 426 . 1 1 55 55 SER HB3 H 1 3.770 0.000 . . . . . A 55 SER HB3 . 19703 1 427 . 1 1 55 55 SER C C 13 174.884 0.010 . . . . . A 55 SER C . 19703 1 428 . 1 1 55 55 SER CA C 13 61.090 0.051 . . . . . A 55 SER CA . 19703 1 429 . 1 1 55 55 SER CB C 13 62.971 0.018 . . . . . A 55 SER CB . 19703 1 430 . 1 1 55 55 SER N N 15 113.470 0.026 . . . . . A 55 SER N . 19703 1 431 . 1 1 56 56 TRP H H 1 8.656 0.015 . . . . . A 56 TRP H . 19703 1 432 . 1 1 56 56 TRP HA H 1 4.467 0.005 . . . . . A 56 TRP HA . 19703 1 433 . 1 1 56 56 TRP HB2 H 1 3.009 0.000 . . . . . A 56 TRP HB2 . 19703 1 434 . 1 1 56 56 TRP HB3 H 1 3.341 0.000 . . . . . A 56 TRP HB3 . 19703 1 435 . 1 1 56 56 TRP HD1 H 1 7.301 0.000 . . . . . A 56 TRP HD1 . 19703 1 436 . 1 1 56 56 TRP HE1 H 1 10.605 0.015 . . . . . A 56 TRP HE1 . 19703 1 437 . 1 1 56 56 TRP C C 13 176.386 0.026 . . . . . A 56 TRP C . 19703 1 438 . 1 1 56 56 TRP CA C 13 58.465 0.047 . . . . . A 56 TRP CA . 19703 1 439 . 1 1 56 56 TRP CB C 13 33.371 0.024 . . . . . A 56 TRP CB . 19703 1 440 . 1 1 56 56 TRP N N 15 120.568 0.030 . . . . . A 56 TRP N . 19703 1 441 . 1 1 56 56 TRP NE1 N 15 121.969 0.000 . . . . . A 56 TRP NE1 . 19703 1 442 . 1 1 57 57 TYR H H 1 7.329 0.022 . . . . . A 57 TYR H . 19703 1 443 . 1 1 57 57 TYR HA H 1 3.716 0.000 . . . . . A 57 TYR HA . 19703 1 444 . 1 1 57 57 TYR HB2 H 1 2.735 0.000 . . . . . A 57 TYR HB2 . 19703 1 445 . 1 1 57 57 TYR HB3 H 1 3.091 0.000 . . . . . A 57 TYR HB3 . 19703 1 446 . 1 1 57 57 TYR HD1 H 1 7.319 0.000 . . . . . A 57 TYR HD1 . 19703 1 447 . 1 1 57 57 TYR HD2 H 1 7.319 0.000 . . . . . A 57 TYR HD2 . 19703 1 448 . 1 1 57 57 TYR HE1 H 1 7.213 0.000 . . . . . A 57 TYR HE1 . 19703 1 449 . 1 1 57 57 TYR HE2 H 1 7.213 0.000 . . . . . A 57 TYR HE2 . 19703 1 450 . 1 1 57 57 TYR C C 13 176.621 0.005 . . . . . A 57 TYR C . 19703 1 451 . 1 1 57 57 TYR CA C 13 64.137 0.052 . . . . . A 57 TYR CA . 19703 1 452 . 1 1 57 57 TYR CB C 13 38.967 0.049 . . . . . A 57 TYR CB . 19703 1 453 . 1 1 57 57 TYR N N 15 121.686 0.037 . . . . . A 57 TYR N . 19703 1 454 . 1 1 58 58 ASP H H 1 9.033 0.011 . . . . . A 58 ASP H . 19703 1 455 . 1 1 58 58 ASP HA H 1 4.390 0.000 . . . . . A 58 ASP HA . 19703 1 456 . 1 1 58 58 ASP HB2 H 1 2.985 0.000 . . . . . A 58 ASP HB2 . 19703 1 457 . 1 1 58 58 ASP HB3 H 1 2.625 0.000 . . . . . A 58 ASP HB3 . 19703 1 458 . 1 1 58 58 ASP C C 13 178.509 0.000 . . . . . A 58 ASP C . 19703 1 459 . 1 1 58 58 ASP CA C 13 57.914 0.009 . . . . . A 58 ASP CA . 19703 1 460 . 1 1 58 58 ASP CB C 13 39.741 0.003 . . . . . A 58 ASP CB . 19703 1 461 . 1 1 58 58 ASP N N 15 119.983 0.048 . . . . . A 58 ASP N . 19703 1 462 . 1 1 59 59 ILE H H 1 7.894 0.009 . . . . . A 59 ILE H . 19703 1 463 . 1 1 59 59 ILE HA H 1 3.809 0.013 . . . . . A 59 ILE HA . 19703 1 464 . 1 1 59 59 ILE HB H 1 1.887 0.001 . . . . . A 59 ILE HB . 19703 1 465 . 1 1 59 59 ILE HG12 H 1 1.531 0.000 . . . . . A 59 ILE HG12 . 19703 1 466 . 1 1 59 59 ILE HG21 H 1 1.109 0.002 . . . . . A 59 ILE HG21 . 19703 1 467 . 1 1 59 59 ILE HG22 H 1 1.109 0.002 . . . . . A 59 ILE HG22 . 19703 1 468 . 1 1 59 59 ILE HG23 H 1 1.109 0.002 . . . . . A 59 ILE HG23 . 19703 1 469 . 1 1 59 59 ILE HD11 H 1 0.627 0.007 . . . . . A 59 ILE HD11 . 19703 1 470 . 1 1 59 59 ILE HD12 H 1 0.627 0.007 . . . . . A 59 ILE HD12 . 19703 1 471 . 1 1 59 59 ILE HD13 H 1 0.627 0.007 . . . . . A 59 ILE HD13 . 19703 1 472 . 1 1 59 59 ILE C C 13 178.418 0.008 . . . . . A 59 ILE C . 19703 1 473 . 1 1 59 59 ILE CA C 13 64.650 0.060 . . . . . A 59 ILE CA . 19703 1 474 . 1 1 59 59 ILE CB C 13 38.514 0.031 . . . . . A 59 ILE CB . 19703 1 475 . 1 1 59 59 ILE CG1 C 13 29.353 0.000 . . . . . A 59 ILE CG1 . 19703 1 476 . 1 1 59 59 ILE CG2 C 13 18.283 0.028 . . . . . A 59 ILE CG2 . 19703 1 477 . 1 1 59 59 ILE CD1 C 13 13.382 0.031 . . . . . A 59 ILE CD1 . 19703 1 478 . 1 1 59 59 ILE N N 15 122.534 0.014 . . . . . A 59 ILE N . 19703 1 479 . 1 1 60 60 VAL H H 1 8.265 0.016 . . . . . A 60 VAL H . 19703 1 480 . 1 1 60 60 VAL HA H 1 3.459 0.009 . . . . . A 60 VAL HA . 19703 1 481 . 1 1 60 60 VAL HB H 1 2.081 0.005 . . . . . A 60 VAL HB . 19703 1 482 . 1 1 60 60 VAL HG11 H 1 1.172 0.000 . . . . . A 60 VAL HG11 . 19703 1 483 . 1 1 60 60 VAL HG12 H 1 1.172 0.000 . . . . . A 60 VAL HG12 . 19703 1 484 . 1 1 60 60 VAL HG13 H 1 1.172 0.000 . . . . . A 60 VAL HG13 . 19703 1 485 . 1 1 60 60 VAL HG21 H 1 0.823 0.000 . . . . . A 60 VAL HG21 . 19703 1 486 . 1 1 60 60 VAL HG22 H 1 0.823 0.000 . . . . . A 60 VAL HG22 . 19703 1 487 . 1 1 60 60 VAL HG23 H 1 0.823 0.000 . . . . . A 60 VAL HG23 . 19703 1 488 . 1 1 60 60 VAL C C 13 178.294 0.000 . . . . . A 60 VAL C . 19703 1 489 . 1 1 60 60 VAL CA C 13 67.819 0.047 . . . . . A 60 VAL CA . 19703 1 490 . 1 1 60 60 VAL CB C 13 31.268 0.079 . . . . . A 60 VAL CB . 19703 1 491 . 1 1 60 60 VAL CG1 C 13 26.514 0.000 . . . . . A 60 VAL CG1 . 19703 1 492 . 1 1 60 60 VAL CG2 C 13 23.111 0.000 . . . . . A 60 VAL CG2 . 19703 1 493 . 1 1 60 60 VAL N N 15 118.811 0.121 . . . . . A 60 VAL N . 19703 1 494 . 1 1 61 61 GLU H H 1 8.036 0.019 . . . . . A 61 GLU H . 19703 1 495 . 1 1 61 61 GLU HA H 1 3.625 0.003 . . . . . A 61 GLU HA . 19703 1 496 . 1 1 61 61 GLU HB2 H 1 1.951 0.000 . . . . . A 61 GLU HB2 . 19703 1 497 . 1 1 61 61 GLU HB3 H 1 1.647 0.000 . . . . . A 61 GLU HB3 . 19703 1 498 . 1 1 61 61 GLU HG3 H 1 2.106 0.001 . . . . . A 61 GLU HG3 . 19703 1 499 . 1 1 61 61 GLU C C 13 177.407 0.000 . . . . . A 61 GLU C . 19703 1 500 . 1 1 61 61 GLU CA C 13 59.055 0.018 . . . . . A 61 GLU CA . 19703 1 501 . 1 1 61 61 GLU CB C 13 28.425 0.037 . . . . . A 61 GLU CB . 19703 1 502 . 1 1 61 61 GLU CG C 13 36.198 0.000 . . . . . A 61 GLU CG . 19703 1 503 . 1 1 61 61 GLU N N 15 121.332 0.073 . . . . . A 61 GLU N . 19703 1 504 . 1 1 62 62 GLN H H 1 7.912 0.016 . . . . . A 62 GLN H . 19703 1 505 . 1 1 62 62 GLN HA H 1 3.734 0.004 . . . . . A 62 GLN HA . 19703 1 506 . 1 1 62 62 GLN HB2 H 1 1.938 0.000 . . . . . A 62 GLN HB2 . 19703 1 507 . 1 1 62 62 GLN HB3 H 1 1.795 0.000 . . . . . A 62 GLN HB3 . 19703 1 508 . 1 1 62 62 GLN HG2 H 1 2.185 0.000 . . . . . A 62 GLN HG2 . 19703 1 509 . 1 1 62 62 GLN HG3 H 1 2.000 0.000 . . . . . A 62 GLN HG3 . 19703 1 510 . 1 1 62 62 GLN HE21 H 1 7.264 0.014 . . . . . A 62 GLN HE21 . 19703 1 511 . 1 1 62 62 GLN HE22 H 1 6.594 0.018 . . . . . A 62 GLN HE22 . 19703 1 512 . 1 1 62 62 GLN C C 13 177.586 0.000 . . . . . A 62 GLN C . 19703 1 513 . 1 1 62 62 GLN CA C 13 58.476 0.044 . . . . . A 62 GLN CA . 19703 1 514 . 1 1 62 62 GLN CB C 13 28.100 0.056 . . . . . A 62 GLN CB . 19703 1 515 . 1 1 62 62 GLN CG C 13 33.505 0.000 . . . . . A 62 GLN CG . 19703 1 516 . 1 1 62 62 GLN N N 15 117.653 0.213 . . . . . A 62 GLN N . 19703 1 517 . 1 1 62 62 GLN NE2 N 15 111.062 0.042 . . . . . A 62 GLN NE2 . 19703 1 518 . 1 1 63 63 HIS H H 1 6.929 0.018 . . . . . A 63 HIS H . 19703 1 519 . 1 1 63 63 HIS HA H 1 4.438 0.014 . . . . . A 63 HIS HA . 19703 1 520 . 1 1 63 63 HIS HB2 H 1 3.472 0.000 . . . . . A 63 HIS HB2 . 19703 1 521 . 1 1 63 63 HIS C C 13 177.626 0.000 . . . . . A 63 HIS C . 19703 1 522 . 1 1 63 63 HIS CA C 13 56.824 0.078 . . . . . A 63 HIS CA . 19703 1 523 . 1 1 63 63 HIS CB C 13 31.805 0.029 . . . . . A 63 HIS CB . 19703 1 524 . 1 1 63 63 HIS N N 15 113.347 0.139 . . . . . A 63 HIS N . 19703 1 525 . 1 1 64 64 ASN H H 1 7.875 0.018 . . . . . A 64 ASN H . 19703 1 526 . 1 1 64 64 ASN HA H 1 5.081 0.004 . . . . . A 64 ASN HA . 19703 1 527 . 1 1 64 64 ASN HB2 H 1 2.516 0.000 . . . . . A 64 ASN HB2 . 19703 1 528 . 1 1 64 64 ASN HB3 H 1 2.810 0.000 . . . . . A 64 ASN HB3 . 19703 1 529 . 1 1 64 64 ASN C C 13 172.577 0.000 . . . . . A 64 ASN C . 19703 1 530 . 1 1 64 64 ASN CA C 13 52.317 0.027 . . . . . A 64 ASN CA . 19703 1 531 . 1 1 64 64 ASN CB C 13 40.113 0.011 . . . . . A 64 ASN CB . 19703 1 532 . 1 1 64 64 ASN N N 15 121.506 0.090 . . . . . A 64 ASN N . 19703 1 533 . 1 1 65 65 GLU H H 1 8.791 0.018 . . . . . A 65 GLU H . 19703 1 534 . 1 1 65 65 GLU HA H 1 4.132 0.006 . . . . . A 65 GLU HA . 19703 1 535 . 1 1 65 65 GLU HB3 H 1 1.906 0.004 . . . . . A 65 GLU HB3 . 19703 1 536 . 1 1 65 65 GLU HG3 H 1 2.135 0.012 . . . . . A 65 GLU HG3 . 19703 1 537 . 1 1 65 65 GLU C C 13 176.297 0.000 . . . . . A 65 GLU C . 19703 1 538 . 1 1 65 65 GLU CA C 13 57.575 0.053 . . . . . A 65 GLU CA . 19703 1 539 . 1 1 65 65 GLU CB C 13 30.195 0.050 . . . . . A 65 GLU CB . 19703 1 540 . 1 1 65 65 GLU CG C 13 36.042 0.000 . . . . . A 65 GLU CG . 19703 1 541 . 1 1 65 65 GLU N N 15 126.101 0.038 . . . . . A 65 GLU N . 19703 1 542 . 1 1 66 66 ILE H H 1 8.973 0.007 . . . . . A 66 ILE H . 19703 1 543 . 1 1 66 66 ILE HA H 1 3.995 0.003 . . . . . A 66 ILE HA . 19703 1 544 . 1 1 66 66 ILE HB H 1 1.707 0.001 . . . . . A 66 ILE HB . 19703 1 545 . 1 1 66 66 ILE HG12 H 1 1.604 0.000 . . . . . A 66 ILE HG12 . 19703 1 546 . 1 1 66 66 ILE HG21 H 1 0.800 0.000 . . . . . A 66 ILE HG21 . 19703 1 547 . 1 1 66 66 ILE HG22 H 1 0.800 0.000 . . . . . A 66 ILE HG22 . 19703 1 548 . 1 1 66 66 ILE HG23 H 1 0.800 0.000 . . . . . A 66 ILE HG23 . 19703 1 549 . 1 1 66 66 ILE HD11 H 1 0.644 0.000 . . . . . A 66 ILE HD11 . 19703 1 550 . 1 1 66 66 ILE HD12 H 1 0.644 0.000 . . . . . A 66 ILE HD12 . 19703 1 551 . 1 1 66 66 ILE HD13 H 1 0.644 0.000 . . . . . A 66 ILE HD13 . 19703 1 552 . 1 1 66 66 ILE C C 13 176.257 0.000 . . . . . A 66 ILE C . 19703 1 553 . 1 1 66 66 ILE CA C 13 62.046 0.057 . . . . . A 66 ILE CA . 19703 1 554 . 1 1 66 66 ILE CB C 13 37.899 0.025 . . . . . A 66 ILE CB . 19703 1 555 . 1 1 66 66 ILE CG1 C 13 27.796 0.000 . . . . . A 66 ILE CG1 . 19703 1 556 . 1 1 66 66 ILE CG2 C 13 17.117 0.000 . . . . . A 66 ILE CG2 . 19703 1 557 . 1 1 66 66 ILE CD1 C 13 14.361 0.000 . . . . . A 66 ILE CD1 . 19703 1 558 . 1 1 66 66 ILE N N 15 125.274 0.020 . . . . . A 66 ILE N . 19703 1 559 . 1 1 67 67 SER H H 1 8.585 0.008 . . . . . A 67 SER H . 19703 1 560 . 1 1 67 67 SER HA H 1 4.439 0.009 . . . . . A 67 SER HA . 19703 1 561 . 1 1 67 67 SER HB2 H 1 4.100 0.008 . . . . . A 67 SER HB2 . 19703 1 562 . 1 1 67 67 SER HB3 H 1 4.314 0.000 . . . . . A 67 SER HB3 . 19703 1 563 . 1 1 67 67 SER C C 13 174.736 0.000 . . . . . A 67 SER C . 19703 1 564 . 1 1 67 67 SER CA C 13 58.127 0.071 . . . . . A 67 SER CA . 19703 1 565 . 1 1 67 67 SER CB C 13 66.057 0.013 . . . . . A 67 SER CB . 19703 1 566 . 1 1 67 67 SER N N 15 125.487 0.047 . . . . . A 67 SER N . 19703 1 567 . 1 1 68 68 ASP H H 1 8.929 0.010 . . . . . A 68 ASP H . 19703 1 568 . 1 1 68 68 ASP HA H 1 4.309 0.006 . . . . . A 68 ASP HA . 19703 1 569 . 1 1 68 68 ASP HB2 H 1 2.456 0.000 . . . . . A 68 ASP HB2 . 19703 1 570 . 1 1 68 68 ASP HB3 H 1 2.739 0.000 . . . . . A 68 ASP HB3 . 19703 1 571 . 1 1 68 68 ASP C C 13 178.298 0.000 . . . . . A 68 ASP C . 19703 1 572 . 1 1 68 68 ASP CA C 13 57.596 0.000 . . . . . A 68 ASP CA . 19703 1 573 . 1 1 68 68 ASP CB C 13 40.548 0.076 . . . . . A 68 ASP CB . 19703 1 574 . 1 1 68 68 ASP N N 15 122.043 0.045 . . . . . A 68 ASP N . 19703 1 575 . 1 1 69 69 GLU H H 1 8.852 0.017 . . . . . A 69 GLU H . 19703 1 576 . 1 1 69 69 GLU HA H 1 3.960 0.004 . . . . . A 69 GLU HA . 19703 1 577 . 1 1 69 69 GLU HB2 H 1 1.912 0.005 . . . . . A 69 GLU HB2 . 19703 1 578 . 1 1 69 69 GLU HB3 H 1 2.045 0.000 . . . . . A 69 GLU HB3 . 19703 1 579 . 1 1 69 69 GLU HG2 H 1 2.486 0.002 . . . . . A 69 GLU HG2 . 19703 1 580 . 1 1 69 69 GLU HG3 H 1 2.269 0.000 . . . . . A 69 GLU HG3 . 19703 1 581 . 1 1 69 69 GLU C C 13 178.938 0.000 . . . . . A 69 GLU C . 19703 1 582 . 1 1 69 69 GLU CA C 13 60.728 0.077 . . . . . A 69 GLU CA . 19703 1 583 . 1 1 69 69 GLU CB C 13 29.492 0.063 . . . . . A 69 GLU CB . 19703 1 584 . 1 1 69 69 GLU CG C 13 37.837 0.046 . . . . . A 69 GLU CG . 19703 1 585 . 1 1 69 69 GLU N N 15 118.225 0.026 . . . . . A 69 GLU N . 19703 1 586 . 1 1 70 70 GLU H H 1 7.923 0.006 . . . . . A 70 GLU H . 19703 1 587 . 1 1 70 70 GLU HA H 1 3.820 0.000 . . . . . A 70 GLU HA . 19703 1 588 . 1 1 70 70 GLU HB2 H 1 1.893 0.000 . . . . . A 70 GLU HB2 . 19703 1 589 . 1 1 70 70 GLU HB3 H 1 2.236 0.000 . . . . . A 70 GLU HB3 . 19703 1 590 . 1 1 70 70 GLU HG3 H 1 2.189 0.000 . . . . . A 70 GLU HG3 . 19703 1 591 . 1 1 70 70 GLU C C 13 177.857 0.000 . . . . . A 70 GLU C . 19703 1 592 . 1 1 70 70 GLU CA C 13 59.443 0.057 . . . . . A 70 GLU CA . 19703 1 593 . 1 1 70 70 GLU CB C 13 28.344 0.029 . . . . . A 70 GLU CB . 19703 1 594 . 1 1 70 70 GLU CG C 13 35.743 0.000 . . . . . A 70 GLU CG . 19703 1 595 . 1 1 70 70 GLU N N 15 121.051 0.048 . . . . . A 70 GLU N . 19703 1 596 . 1 1 71 71 ASN H H 1 7.988 0.023 . . . . . A 71 ASN H . 19703 1 597 . 1 1 71 71 ASN HA H 1 4.360 0.008 . . . . . A 71 ASN HA . 19703 1 598 . 1 1 71 71 ASN HB2 H 1 2.756 0.000 . . . . . A 71 ASN HB2 . 19703 1 599 . 1 1 71 71 ASN HB3 H 1 2.831 0.000 . . . . . A 71 ASN HB3 . 19703 1 600 . 1 1 71 71 ASN C C 13 177.621 0.000 . . . . . A 71 ASN C . 19703 1 601 . 1 1 71 71 ASN CA C 13 56.919 0.024 . . . . . A 71 ASN CA . 19703 1 602 . 1 1 71 71 ASN CB C 13 38.688 0.029 . . . . . A 71 ASN CB . 19703 1 603 . 1 1 71 71 ASN N N 15 118.461 0.024 . . . . . A 71 ASN N . 19703 1 604 . 1 1 72 72 ASP H H 1 8.129 0.009 . . . . . A 72 ASP H . 19703 1 605 . 1 1 72 72 ASP HA H 1 4.249 0.004 . . . . . A 72 ASP HA . 19703 1 606 . 1 1 72 72 ASP HB2 H 1 2.714 0.000 . . . . . A 72 ASP HB2 . 19703 1 607 . 1 1 72 72 ASP HB3 H 1 2.481 0.000 . . . . . A 72 ASP HB3 . 19703 1 608 . 1 1 72 72 ASP C C 13 178.772 0.000 . . . . . A 72 ASP C . 19703 1 609 . 1 1 72 72 ASP CA C 13 57.507 0.003 . . . . . A 72 ASP CA . 19703 1 610 . 1 1 72 72 ASP CB C 13 40.932 0.041 . . . . . A 72 ASP CB . 19703 1 611 . 1 1 72 72 ASP N N 15 118.807 0.040 . . . . . A 72 ASP N . 19703 1 612 . 1 1 73 73 MET H H 1 7.523 0.010 . . . . . A 73 MET H . 19703 1 613 . 1 1 73 73 MET HA H 1 4.415 0.004 . . . . . A 73 MET HA . 19703 1 614 . 1 1 73 73 MET HB2 H 1 2.361 0.000 . . . . . A 73 MET HB2 . 19703 1 615 . 1 1 73 73 MET C C 13 180.694 0.000 . . . . . A 73 MET C . 19703 1 616 . 1 1 73 73 MET CA C 13 56.144 0.070 . . . . . A 73 MET CA . 19703 1 617 . 1 1 73 73 MET CB C 13 34.126 0.040 . . . . . A 73 MET CB . 19703 1 618 . 1 1 73 73 MET N N 15 117.610 0.029 . . . . . A 73 MET N . 19703 1 619 . 1 1 74 74 LEU H H 1 8.850 0.000 . . . . . A 74 LEU H . 19703 1 620 . 1 1 74 74 LEU HA H 1 3.768 0.000 . . . . . A 74 LEU HA . 19703 1 621 . 1 1 74 74 LEU HB2 H 1 1.377 0.006 . . . . . A 74 LEU HB2 . 19703 1 622 . 1 1 74 74 LEU HB3 H 1 1.973 0.013 . . . . . A 74 LEU HB3 . 19703 1 623 . 1 1 74 74 LEU HG H 1 1.680 0.000 . . . . . A 74 LEU HG . 19703 1 624 . 1 1 74 74 LEU HD11 H 1 0.872 0.000 . . . . . A 74 LEU HD11 . 19703 1 625 . 1 1 74 74 LEU HD12 H 1 0.872 0.000 . . . . . A 74 LEU HD12 . 19703 1 626 . 1 1 74 74 LEU HD13 H 1 0.872 0.000 . . . . . A 74 LEU HD13 . 19703 1 627 . 1 1 74 74 LEU HD21 H 1 0.529 0.003 . . . . . A 74 LEU HD21 . 19703 1 628 . 1 1 74 74 LEU HD22 H 1 0.529 0.003 . . . . . A 74 LEU HD22 . 19703 1 629 . 1 1 74 74 LEU HD23 H 1 0.529 0.003 . . . . . A 74 LEU HD23 . 19703 1 630 . 1 1 74 74 LEU C C 13 178.471 0.000 . . . . . A 74 LEU C . 19703 1 631 . 1 1 74 74 LEU CA C 13 57.865 0.060 . . . . . A 74 LEU CA . 19703 1 632 . 1 1 74 74 LEU CB C 13 41.013 0.049 . . . . . A 74 LEU CB . 19703 1 633 . 1 1 74 74 LEU CG C 13 27.016 0.000 . . . . . A 74 LEU CG . 19703 1 634 . 1 1 74 74 LEU CD1 C 13 25.875 0.000 . . . . . A 74 LEU CD1 . 19703 1 635 . 1 1 74 74 LEU CD2 C 13 22.788 0.032 . . . . . A 74 LEU CD2 . 19703 1 636 . 1 1 74 74 LEU N N 15 123.258 0.013 . . . . . A 74 LEU N . 19703 1 637 . 1 1 75 75 ASP H H 1 7.439 0.016 . . . . . A 75 ASP H . 19703 1 638 . 1 1 75 75 ASP HA H 1 4.320 0.004 . . . . . A 75 ASP HA . 19703 1 639 . 1 1 75 75 ASP HB2 H 1 2.484 0.000 . . . . . A 75 ASP HB2 . 19703 1 640 . 1 1 75 75 ASP HB3 H 1 2.698 0.000 . . . . . A 75 ASP HB3 . 19703 1 641 . 1 1 75 75 ASP C C 13 177.521 0.000 . . . . . A 75 ASP C . 19703 1 642 . 1 1 75 75 ASP CA C 13 57.000 0.046 . . . . . A 75 ASP CA . 19703 1 643 . 1 1 75 75 ASP CB C 13 41.163 0.000 . . . . . A 75 ASP CB . 19703 1 644 . 1 1 75 75 ASP N N 15 115.491 0.046 . . . . . A 75 ASP N . 19703 1 645 . 1 1 76 76 LEU H H 1 7.039 0.017 . . . . . A 76 LEU H . 19703 1 646 . 1 1 76 76 LEU HA H 1 4.280 0.004 . . . . . A 76 LEU HA . 19703 1 647 . 1 1 76 76 LEU HB2 H 1 1.584 0.006 . . . . . A 76 LEU HB2 . 19703 1 648 . 1 1 76 76 LEU HB3 H 1 1.707 0.017 . . . . . A 76 LEU HB3 . 19703 1 649 . 1 1 76 76 LEU HD11 H 1 0.736 0.001 . . . . . A 76 LEU HD11 . 19703 1 650 . 1 1 76 76 LEU HD12 H 1 0.736 0.001 . . . . . A 76 LEU HD12 . 19703 1 651 . 1 1 76 76 LEU HD13 H 1 0.736 0.001 . . . . . A 76 LEU HD13 . 19703 1 652 . 1 1 76 76 LEU HD21 H 1 0.830 0.000 . . . . . A 76 LEU HD21 . 19703 1 653 . 1 1 76 76 LEU HD22 H 1 0.830 0.000 . . . . . A 76 LEU HD22 . 19703 1 654 . 1 1 76 76 LEU HD23 H 1 0.830 0.000 . . . . . A 76 LEU HD23 . 19703 1 655 . 1 1 76 76 LEU C C 13 177.224 0.000 . . . . . A 76 LEU C . 19703 1 656 . 1 1 76 76 LEU CA C 13 54.067 0.013 . . . . . A 76 LEU CA . 19703 1 657 . 1 1 76 76 LEU CB C 13 42.211 0.000 . . . . . A 76 LEU CB . 19703 1 658 . 1 1 76 76 LEU CG C 13 26.643 0.000 . . . . . A 76 LEU CG . 19703 1 659 . 1 1 76 76 LEU CD1 C 13 22.511 0.045 . . . . . A 76 LEU CD1 . 19703 1 660 . 1 1 76 76 LEU CD2 C 13 25.519 0.000 . . . . . A 76 LEU CD2 . 19703 1 661 . 1 1 76 76 LEU N N 15 116.660 0.054 . . . . . A 76 LEU N . 19703 1 662 . 1 1 77 77 ALA H H 1 7.736 0.017 . . . . . A 77 ALA H . 19703 1 663 . 1 1 77 77 ALA HA H 1 4.074 0.007 . . . . . A 77 ALA HA . 19703 1 664 . 1 1 77 77 ALA HB1 H 1 0.958 0.003 . . . . . A 77 ALA HB1 . 19703 1 665 . 1 1 77 77 ALA HB2 H 1 0.958 0.003 . . . . . A 77 ALA HB2 . 19703 1 666 . 1 1 77 77 ALA HB3 H 1 0.958 0.003 . . . . . A 77 ALA HB3 . 19703 1 667 . 1 1 77 77 ALA C C 13 177.216 0.007 . . . . . A 77 ALA C . 19703 1 668 . 1 1 77 77 ALA CA C 13 52.304 0.021 . . . . . A 77 ALA CA . 19703 1 669 . 1 1 77 77 ALA CB C 13 18.204 0.050 . . . . . A 77 ALA CB . 19703 1 670 . 1 1 77 77 ALA N N 15 123.914 0.029 . . . . . A 77 ALA N . 19703 1 671 . 1 1 78 78 PHE H H 1 8.310 0.007 . . . . . A 78 PHE H . 19703 1 672 . 1 1 78 78 PHE HA H 1 4.415 0.000 . . . . . A 78 PHE HA . 19703 1 673 . 1 1 78 78 PHE HB3 H 1 2.929 0.000 . . . . . A 78 PHE HB3 . 19703 1 674 . 1 1 78 78 PHE HD1 H 1 7.146 0.000 . . . . . A 78 PHE HD1 . 19703 1 675 . 1 1 78 78 PHE HD2 H 1 7.146 0.000 . . . . . A 78 PHE HD2 . 19703 1 676 . 1 1 78 78 PHE C C 13 176.460 0.010 . . . . . A 78 PHE C . 19703 1 677 . 1 1 78 78 PHE CA C 13 57.752 0.069 . . . . . A 78 PHE CA . 19703 1 678 . 1 1 78 78 PHE CB C 13 39.221 0.037 . . . . . A 78 PHE CB . 19703 1 679 . 1 1 78 78 PHE N N 15 122.688 0.026 . . . . . A 78 PHE N . 19703 1 680 . 1 1 79 79 GLY H H 1 8.383 0.008 . . . . . A 79 GLY H . 19703 1 681 . 1 1 79 79 GLY HA2 H 1 3.468 0.009 . . . . . A 79 GLY HA2 . 19703 1 682 . 1 1 79 79 GLY HA3 H 1 3.653 0.011 . . . . . A 79 GLY HA3 . 19703 1 683 . 1 1 79 79 GLY C C 13 174.510 0.014 . . . . . A 79 GLY C . 19703 1 684 . 1 1 79 79 GLY CA C 13 46.279 0.098 . . . . . A 79 GLY CA . 19703 1 685 . 1 1 79 79 GLY N N 15 112.822 0.019 . . . . . A 79 GLY N . 19703 1 686 . 1 1 80 80 LEU H H 1 6.978 0.013 . . . . . A 80 LEU H . 19703 1 687 . 1 1 80 80 LEU HA H 1 3.754 0.008 . . . . . A 80 LEU HA . 19703 1 688 . 1 1 80 80 LEU HB2 H 1 1.390 0.000 . . . . . A 80 LEU HB2 . 19703 1 689 . 1 1 80 80 LEU HB3 H 1 1.483 0.002 . . . . . A 80 LEU HB3 . 19703 1 690 . 1 1 80 80 LEU HG H 1 0.870 0.000 . . . . . A 80 LEU HG . 19703 1 691 . 1 1 80 80 LEU HD11 H 1 0.809 0.000 . . . . . A 80 LEU HD11 . 19703 1 692 . 1 1 80 80 LEU HD12 H 1 0.809 0.000 . . . . . A 80 LEU HD12 . 19703 1 693 . 1 1 80 80 LEU HD13 H 1 0.809 0.000 . . . . . A 80 LEU HD13 . 19703 1 694 . 1 1 80 80 LEU C C 13 176.528 0.004 . . . . . A 80 LEU C . 19703 1 695 . 1 1 80 80 LEU CA C 13 56.497 0.073 . . . . . A 80 LEU CA . 19703 1 696 . 1 1 80 80 LEU CB C 13 42.808 0.018 . . . . . A 80 LEU CB . 19703 1 697 . 1 1 80 80 LEU CG C 13 26.323 0.000 . . . . . A 80 LEU CG . 19703 1 698 . 1 1 80 80 LEU CD1 C 13 23.350 0.000 . . . . . A 80 LEU CD1 . 19703 1 699 . 1 1 80 80 LEU CD2 C 13 24.898 0.000 . . . . . A 80 LEU CD2 . 19703 1 700 . 1 1 80 80 LEU N N 15 118.988 0.056 . . . . . A 80 LEU N . 19703 1 701 . 1 1 81 81 THR H H 1 9.176 0.011 . . . . . A 81 THR H . 19703 1 702 . 1 1 81 81 THR HA H 1 4.857 0.004 . . . . . A 81 THR HA . 19703 1 703 . 1 1 81 81 THR HB H 1 4.375 0.008 . . . . . A 81 THR HB . 19703 1 704 . 1 1 81 81 THR HG21 H 1 1.208 0.000 . . . . . A 81 THR HG21 . 19703 1 705 . 1 1 81 81 THR HG22 H 1 1.208 0.000 . . . . . A 81 THR HG22 . 19703 1 706 . 1 1 81 81 THR HG23 H 1 1.208 0.000 . . . . . A 81 THR HG23 . 19703 1 707 . 1 1 81 81 THR C C 13 175.739 0.003 . . . . . A 81 THR C . 19703 1 708 . 1 1 81 81 THR CA C 13 60.194 0.060 . . . . . A 81 THR CA . 19703 1 709 . 1 1 81 81 THR CB C 13 73.868 0.058 . . . . . A 81 THR CB . 19703 1 710 . 1 1 81 81 THR CG2 C 13 21.994 0.000 . . . . . A 81 THR CG2 . 19703 1 711 . 1 1 81 81 THR N N 15 118.057 0.042 . . . . . A 81 THR N . 19703 1 712 . 1 1 82 82 ASP H H 1 8.679 0.008 . . . . . A 82 ASP H . 19703 1 713 . 1 1 82 82 ASP HA H 1 4.379 0.008 . . . . . A 82 ASP HA . 19703 1 714 . 1 1 82 82 ASP HB2 H 1 2.544 0.000 . . . . . A 82 ASP HB2 . 19703 1 715 . 1 1 82 82 ASP HB3 H 1 2.626 0.000 . . . . . A 82 ASP HB3 . 19703 1 716 . 1 1 82 82 ASP C C 13 176.700 0.007 . . . . . A 82 ASP C . 19703 1 717 . 1 1 82 82 ASP CA C 13 55.835 0.037 . . . . . A 82 ASP CA . 19703 1 718 . 1 1 82 82 ASP CB C 13 40.675 0.011 . . . . . A 82 ASP CB . 19703 1 719 . 1 1 82 82 ASP N N 15 118.080 0.125 . . . . . A 82 ASP N . 19703 1 720 . 1 1 83 83 THR H H 1 7.893 0.011 . . . . . A 83 THR H . 19703 1 721 . 1 1 83 83 THR HA H 1 4.253 0.009 . . . . . A 83 THR HA . 19703 1 722 . 1 1 83 83 THR HB H 1 4.532 0.002 . . . . . A 83 THR HB . 19703 1 723 . 1 1 83 83 THR HG21 H 1 0.570 0.002 . . . . . A 83 THR HG21 . 19703 1 724 . 1 1 83 83 THR HG22 H 1 0.570 0.002 . . . . . A 83 THR HG22 . 19703 1 725 . 1 1 83 83 THR HG23 H 1 0.570 0.002 . . . . . A 83 THR HG23 . 19703 1 726 . 1 1 83 83 THR C C 13 174.494 0.001 . . . . . A 83 THR C . 19703 1 727 . 1 1 83 83 THR CA C 13 59.749 0.105 . . . . . A 83 THR CA . 19703 1 728 . 1 1 83 83 THR CB C 13 66.801 0.040 . . . . . A 83 THR CB . 19703 1 729 . 1 1 83 83 THR CG2 C 13 21.176 0.039 . . . . . A 83 THR CG2 . 19703 1 730 . 1 1 83 83 THR N N 15 107.059 0.024 . . . . . A 83 THR N . 19703 1 731 . 1 1 84 84 SER H H 1 6.993 0.022 . . . . . A 84 SER H . 19703 1 732 . 1 1 84 84 SER HA H 1 5.080 0.002 . . . . . A 84 SER HA . 19703 1 733 . 1 1 84 84 SER HB2 H 1 4.115 0.004 . . . . . A 84 SER HB2 . 19703 1 734 . 1 1 84 84 SER HB3 H 1 3.831 0.000 . . . . . A 84 SER HB3 . 19703 1 735 . 1 1 84 84 SER C C 13 173.561 0.008 . . . . . A 84 SER C . 19703 1 736 . 1 1 84 84 SER CA C 13 61.844 0.077 . . . . . A 84 SER CA . 19703 1 737 . 1 1 84 84 SER CB C 13 64.933 0.011 . . . . . A 84 SER CB . 19703 1 738 . 1 1 84 84 SER N N 15 121.526 0.028 . . . . . A 84 SER N . 19703 1 739 . 1 1 85 85 ARG H H 1 9.358 0.012 . . . . . A 85 ARG H . 19703 1 740 . 1 1 85 85 ARG HA H 1 4.809 0.004 . . . . . A 85 ARG HA . 19703 1 741 . 1 1 85 85 ARG HB2 H 1 1.909 0.000 . . . . . A 85 ARG HB2 . 19703 1 742 . 1 1 85 85 ARG HG3 H 1 1.264 0.000 . . . . . A 85 ARG HG3 . 19703 1 743 . 1 1 85 85 ARG C C 13 175.213 0.011 . . . . . A 85 ARG C . 19703 1 744 . 1 1 85 85 ARG CA C 13 52.209 0.012 . . . . . A 85 ARG CA . 19703 1 745 . 1 1 85 85 ARG CB C 13 35.685 0.027 . . . . . A 85 ARG CB . 19703 1 746 . 1 1 85 85 ARG N N 15 118.632 0.018 . . . . . A 85 ARG N . 19703 1 747 . 1 1 86 86 LEU H H 1 9.122 0.007 . . . . . A 86 LEU H . 19703 1 748 . 1 1 86 86 LEU N N 15 120.203 0.034 . . . . . A 86 LEU N . 19703 1 749 . 1 1 89 89 GLN HA H 1 4.188 0.003 . . . . . A 89 GLN HA . 19703 1 750 . 1 1 89 89 GLN HB3 H 1 2.197 0.000 . . . . . A 89 GLN HB3 . 19703 1 751 . 1 1 89 89 GLN HG3 H 1 2.672 0.000 . . . . . A 89 GLN HG3 . 19703 1 752 . 1 1 89 89 GLN C C 13 173.992 0.000 . . . . . A 89 GLN C . 19703 1 753 . 1 1 89 89 GLN CA C 13 53.850 0.000 . . . . . A 89 GLN CA . 19703 1 754 . 1 1 89 89 GLN CB C 13 29.721 0.000 . . . . . A 89 GLN CB . 19703 1 755 . 1 1 90 90 ILE H H 1 6.736 0.017 . . . . . A 90 ILE H . 19703 1 756 . 1 1 90 90 ILE HA H 1 3.787 0.011 . . . . . A 90 ILE HA . 19703 1 757 . 1 1 90 90 ILE HB H 1 1.826 0.001 . . . . . A 90 ILE HB . 19703 1 758 . 1 1 90 90 ILE HG12 H 1 1.116 0.000 . . . . . A 90 ILE HG12 . 19703 1 759 . 1 1 90 90 ILE HG13 H 1 1.209 0.000 . . . . . A 90 ILE HG13 . 19703 1 760 . 1 1 90 90 ILE HG21 H 1 0.484 0.001 . . . . . A 90 ILE HG21 . 19703 1 761 . 1 1 90 90 ILE HG22 H 1 0.484 0.001 . . . . . A 90 ILE HG22 . 19703 1 762 . 1 1 90 90 ILE HG23 H 1 0.484 0.001 . . . . . A 90 ILE HG23 . 19703 1 763 . 1 1 90 90 ILE HD11 H 1 0.467 0.010 . . . . . A 90 ILE HD11 . 19703 1 764 . 1 1 90 90 ILE HD12 H 1 0.467 0.010 . . . . . A 90 ILE HD12 . 19703 1 765 . 1 1 90 90 ILE HD13 H 1 0.467 0.010 . . . . . A 90 ILE HD13 . 19703 1 766 . 1 1 90 90 ILE C C 13 173.762 0.008 . . . . . A 90 ILE C . 19703 1 767 . 1 1 90 90 ILE CA C 13 58.765 0.075 . . . . . A 90 ILE CA . 19703 1 768 . 1 1 90 90 ILE CB C 13 37.268 0.040 . . . . . A 90 ILE CB . 19703 1 769 . 1 1 90 90 ILE CG1 C 13 26.068 0.000 . . . . . A 90 ILE CG1 . 19703 1 770 . 1 1 90 90 ILE CG2 C 13 16.954 0.010 . . . . . A 90 ILE CG2 . 19703 1 771 . 1 1 90 90 ILE CD1 C 13 11.389 0.047 . . . . . A 90 ILE CD1 . 19703 1 772 . 1 1 90 90 ILE N N 15 117.060 0.042 . . . . . A 90 ILE N . 19703 1 773 . 1 1 91 91 ILE H H 1 8.157 0.016 . . . . . A 91 ILE H . 19703 1 774 . 1 1 91 91 ILE HA H 1 3.895 0.007 . . . . . A 91 ILE HA . 19703 1 775 . 1 1 91 91 ILE HB H 1 1.934 0.006 . . . . . A 91 ILE HB . 19703 1 776 . 1 1 91 91 ILE HG12 H 1 1.396 0.003 . . . . . A 91 ILE HG12 . 19703 1 777 . 1 1 91 91 ILE HG13 H 1 1.100 0.005 . . . . . A 91 ILE HG13 . 19703 1 778 . 1 1 91 91 ILE HD11 H 1 0.682 0.008 . . . . . A 91 ILE HD11 . 19703 1 779 . 1 1 91 91 ILE HD12 H 1 0.682 0.008 . . . . . A 91 ILE HD12 . 19703 1 780 . 1 1 91 91 ILE HD13 H 1 0.682 0.008 . . . . . A 91 ILE HD13 . 19703 1 781 . 1 1 91 91 ILE C C 13 175.955 0.014 . . . . . A 91 ILE C . 19703 1 782 . 1 1 91 91 ILE CA C 13 60.160 0.080 . . . . . A 91 ILE CA . 19703 1 783 . 1 1 91 91 ILE CB C 13 37.104 0.055 . . . . . A 91 ILE CB . 19703 1 784 . 1 1 91 91 ILE CG1 C 13 27.893 0.039 . . . . . A 91 ILE CG1 . 19703 1 785 . 1 1 91 91 ILE CG2 C 13 17.442 0.000 . . . . . A 91 ILE CG2 . 19703 1 786 . 1 1 91 91 ILE CD1 C 13 11.976 0.030 . . . . . A 91 ILE CD1 . 19703 1 787 . 1 1 91 91 ILE N N 15 128.173 0.043 . . . . . A 91 ILE N . 19703 1 788 . 1 1 92 92 LEU H H 1 8.979 0.012 . . . . . A 92 LEU H . 19703 1 789 . 1 1 92 92 LEU HA H 1 4.105 0.004 . . . . . A 92 LEU HA . 19703 1 790 . 1 1 92 92 LEU HB3 H 1 2.038 0.004 . . . . . A 92 LEU HB3 . 19703 1 791 . 1 1 92 92 LEU HG H 1 1.680 0.000 . . . . . A 92 LEU HG . 19703 1 792 . 1 1 92 92 LEU HD11 H 1 0.488 0.009 . . . . . A 92 LEU HD11 . 19703 1 793 . 1 1 92 92 LEU HD12 H 1 0.488 0.009 . . . . . A 92 LEU HD12 . 19703 1 794 . 1 1 92 92 LEU HD13 H 1 0.488 0.009 . . . . . A 92 LEU HD13 . 19703 1 795 . 1 1 92 92 LEU HD21 H 1 0.691 0.000 . . . . . A 92 LEU HD21 . 19703 1 796 . 1 1 92 92 LEU HD22 H 1 0.691 0.000 . . . . . A 92 LEU HD22 . 19703 1 797 . 1 1 92 92 LEU HD23 H 1 0.691 0.000 . . . . . A 92 LEU HD23 . 19703 1 798 . 1 1 92 92 LEU C C 13 174.391 0.014 . . . . . A 92 LEU C . 19703 1 799 . 1 1 92 92 LEU CA C 13 54.805 0.060 . . . . . A 92 LEU CA . 19703 1 800 . 1 1 92 92 LEU CB C 13 40.594 0.038 . . . . . A 92 LEU CB . 19703 1 801 . 1 1 92 92 LEU CG C 13 28.120 0.000 . . . . . A 92 LEU CG . 19703 1 802 . 1 1 92 92 LEU CD1 C 13 23.077 0.038 . . . . . A 92 LEU CD1 . 19703 1 803 . 1 1 92 92 LEU CD2 C 13 26.206 0.000 . . . . . A 92 LEU CD2 . 19703 1 804 . 1 1 92 92 LEU N N 15 127.403 0.038 . . . . . A 92 LEU N . 19703 1 805 . 1 1 93 93 THR H H 1 6.270 0.017 . . . . . A 93 THR H . 19703 1 806 . 1 1 93 93 THR HA H 1 4.760 0.005 . . . . . A 93 THR HA . 19703 1 807 . 1 1 93 93 THR HB H 1 4.538 0.009 . . . . . A 93 THR HB . 19703 1 808 . 1 1 93 93 THR HG21 H 1 1.075 0.002 . . . . . A 93 THR HG21 . 19703 1 809 . 1 1 93 93 THR HG22 H 1 1.075 0.002 . . . . . A 93 THR HG22 . 19703 1 810 . 1 1 93 93 THR HG23 H 1 1.075 0.002 . . . . . A 93 THR HG23 . 19703 1 811 . 1 1 93 93 THR C C 13 176.119 0.005 . . . . . A 93 THR C . 19703 1 812 . 1 1 93 93 THR CA C 13 59.059 0.080 . . . . . A 93 THR CA . 19703 1 813 . 1 1 93 93 THR CB C 13 72.517 0.019 . . . . . A 93 THR CB . 19703 1 814 . 1 1 93 93 THR CG2 C 13 21.948 0.050 . . . . . A 93 THR CG2 . 19703 1 815 . 1 1 93 93 THR N N 15 110.385 0.066 . . . . . A 93 THR N . 19703 1 816 . 1 1 94 94 LYS H H 1 9.071 0.011 . . . . . A 94 LYS H . 19703 1 817 . 1 1 94 94 LYS HA H 1 3.684 0.004 . . . . . A 94 LYS HA . 19703 1 818 . 1 1 94 94 LYS HB2 H 1 1.831 0.002 . . . . . A 94 LYS HB2 . 19703 1 819 . 1 1 94 94 LYS HB3 H 1 1.739 0.011 . . . . . A 94 LYS HB3 . 19703 1 820 . 1 1 94 94 LYS HG2 H 1 1.250 0.000 . . . . . A 94 LYS HG2 . 19703 1 821 . 1 1 94 94 LYS HG3 H 1 1.384 0.000 . . . . . A 94 LYS HG3 . 19703 1 822 . 1 1 94 94 LYS HD3 H 1 1.585 0.000 . . . . . A 94 LYS HD3 . 19703 1 823 . 1 1 94 94 LYS HE3 H 1 2.909 0.017 . . . . . A 94 LYS HE3 . 19703 1 824 . 1 1 94 94 LYS C C 13 177.634 0.009 . . . . . A 94 LYS C . 19703 1 825 . 1 1 94 94 LYS CA C 13 59.586 0.053 . . . . . A 94 LYS CA . 19703 1 826 . 1 1 94 94 LYS CB C 13 31.690 0.086 . . . . . A 94 LYS CB . 19703 1 827 . 1 1 94 94 LYS CG C 13 24.201 0.000 . . . . . A 94 LYS CG . 19703 1 828 . 1 1 94 94 LYS CD C 13 29.329 0.000 . . . . . A 94 LYS CD . 19703 1 829 . 1 1 94 94 LYS CE C 13 42.142 0.000 . . . . . A 94 LYS CE . 19703 1 830 . 1 1 94 94 LYS N N 15 120.484 0.026 . . . . . A 94 LYS N . 19703 1 831 . 1 1 95 95 GLU H H 1 8.422 0.008 . . . . . A 95 GLU H . 19703 1 832 . 1 1 95 95 GLU HA H 1 3.960 0.008 . . . . . A 95 GLU HA . 19703 1 833 . 1 1 95 95 GLU HB2 H 1 1.171 0.013 . . . . . A 95 GLU HB2 . 19703 1 834 . 1 1 95 95 GLU HB3 H 1 1.677 0.002 . . . . . A 95 GLU HB3 . 19703 1 835 . 1 1 95 95 GLU HG2 H 1 2.246 0.000 . . . . . A 95 GLU HG2 . 19703 1 836 . 1 1 95 95 GLU HG3 H 1 2.095 0.000 . . . . . A 95 GLU HG3 . 19703 1 837 . 1 1 95 95 GLU C C 13 176.639 0.009 . . . . . A 95 GLU C . 19703 1 838 . 1 1 95 95 GLU CA C 13 59.480 0.074 . . . . . A 95 GLU CA . 19703 1 839 . 1 1 95 95 GLU CB C 13 28.224 0.036 . . . . . A 95 GLU CB . 19703 1 840 . 1 1 95 95 GLU CG C 13 37.469 0.000 . . . . . A 95 GLU CG . 19703 1 841 . 1 1 95 95 GLU N N 15 118.365 0.082 . . . . . A 95 GLU N . 19703 1 842 . 1 1 96 96 LEU H H 1 7.727 0.019 . . . . . A 96 LEU H . 19703 1 843 . 1 1 96 96 LEU HA H 1 4.453 0.002 . . . . . A 96 LEU HA . 19703 1 844 . 1 1 96 96 LEU HB2 H 1 1.647 0.001 . . . . . A 96 LEU HB2 . 19703 1 845 . 1 1 96 96 LEU HB3 H 1 1.347 0.001 . . . . . A 96 LEU HB3 . 19703 1 846 . 1 1 96 96 LEU HG H 1 1.491 0.000 . . . . . A 96 LEU HG . 19703 1 847 . 1 1 96 96 LEU HD11 H 1 0.822 0.000 . . . . . A 96 LEU HD11 . 19703 1 848 . 1 1 96 96 LEU HD12 H 1 0.822 0.000 . . . . . A 96 LEU HD12 . 19703 1 849 . 1 1 96 96 LEU HD13 H 1 0.822 0.000 . . . . . A 96 LEU HD13 . 19703 1 850 . 1 1 96 96 LEU C C 13 174.106 0.015 . . . . . A 96 LEU C . 19703 1 851 . 1 1 96 96 LEU CA C 13 53.499 0.032 . . . . . A 96 LEU CA . 19703 1 852 . 1 1 96 96 LEU CB C 13 40.899 0.089 . . . . . A 96 LEU CB . 19703 1 853 . 1 1 96 96 LEU CG C 13 28.340 0.000 . . . . . A 96 LEU CG . 19703 1 854 . 1 1 96 96 LEU CD1 C 13 25.231 0.000 . . . . . A 96 LEU CD1 . 19703 1 855 . 1 1 96 96 LEU CD2 C 13 26.185 0.000 . . . . . A 96 LEU CD2 . 19703 1 856 . 1 1 96 96 LEU N N 15 116.407 0.081 . . . . . A 96 LEU N . 19703 1 857 . 1 1 97 97 ASP H H 1 7.046 0.008 . . . . . A 97 ASP H . 19703 1 858 . 1 1 97 97 ASP HA H 1 4.012 0.021 . . . . . A 97 ASP HA . 19703 1 859 . 1 1 97 97 ASP HB2 H 1 2.697 0.000 . . . . . A 97 ASP HB2 . 19703 1 860 . 1 1 97 97 ASP HB3 H 1 2.748 0.000 . . . . . A 97 ASP HB3 . 19703 1 861 . 1 1 97 97 ASP C C 13 175.803 0.002 . . . . . A 97 ASP C . 19703 1 862 . 1 1 97 97 ASP CA C 13 56.511 0.041 . . . . . A 97 ASP CA . 19703 1 863 . 1 1 97 97 ASP CB C 13 41.691 0.081 . . . . . A 97 ASP CB . 19703 1 864 . 1 1 97 97 ASP N N 15 116.722 0.055 . . . . . A 97 ASP N . 19703 1 865 . 1 1 98 98 GLY H H 1 8.957 0.015 . . . . . A 98 GLY H . 19703 1 866 . 1 1 98 98 GLY HA2 H 1 3.377 0.001 . . . . . A 98 GLY HA2 . 19703 1 867 . 1 1 98 98 GLY HA3 H 1 4.440 0.009 . . . . . A 98 GLY HA3 . 19703 1 868 . 1 1 98 98 GLY C C 13 173.481 0.018 . . . . . A 98 GLY C . 19703 1 869 . 1 1 98 98 GLY CA C 13 44.602 0.076 . . . . . A 98 GLY CA . 19703 1 870 . 1 1 98 98 GLY N N 15 117.545 0.020 . . . . . A 98 GLY N . 19703 1 871 . 1 1 99 99 LEU H H 1 7.239 0.015 . . . . . A 99 LEU H . 19703 1 872 . 1 1 99 99 LEU C C 13 173.036 0.027 . . . . . A 99 LEU C . 19703 1 873 . 1 1 99 99 LEU CA C 13 55.737 0.059 . . . . . A 99 LEU CA . 19703 1 874 . 1 1 99 99 LEU CB C 13 42.087 0.073 . . . . . A 99 LEU CB . 19703 1 875 . 1 1 99 99 LEU CG C 13 25.861 0.000 . . . . . A 99 LEU CG . 19703 1 876 . 1 1 99 99 LEU CD2 C 13 24.909 0.000 . . . . . A 99 LEU CD2 . 19703 1 877 . 1 1 99 99 LEU N N 15 122.555 0.027 . . . . . A 99 LEU N . 19703 1 878 . 1 1 100 100 CYS H H 1 5.355 0.018 . . . . . A 100 CYS H . 19703 1 879 . 1 1 100 100 CYS HA H 1 5.219 0.005 . . . . . A 100 CYS HA . 19703 1 880 . 1 1 100 100 CYS HB3 H 1 2.976 0.000 . . . . . A 100 CYS HB3 . 19703 1 881 . 1 1 100 100 CYS C C 13 172.184 0.000 . . . . . A 100 CYS C . 19703 1 882 . 1 1 100 100 CYS CA C 13 54.042 0.017 . . . . . A 100 CYS CA . 19703 1 883 . 1 1 100 100 CYS CB C 13 45.330 0.006 . . . . . A 100 CYS CB . 19703 1 884 . 1 1 100 100 CYS N N 15 121.421 0.062 . . . . . A 100 CYS N . 19703 1 885 . 1 1 101 101 VAL H H 1 8.691 0.018 . . . . . A 101 VAL H . 19703 1 886 . 1 1 101 101 VAL HA H 1 4.435 0.004 . . . . . A 101 VAL HA . 19703 1 887 . 1 1 101 101 VAL HB H 1 1.511 0.007 . . . . . A 101 VAL HB . 19703 1 888 . 1 1 101 101 VAL HG11 H 1 0.548 0.000 . . . . . A 101 VAL HG11 . 19703 1 889 . 1 1 101 101 VAL HG12 H 1 0.548 0.000 . . . . . A 101 VAL HG12 . 19703 1 890 . 1 1 101 101 VAL HG13 H 1 0.548 0.000 . . . . . A 101 VAL HG13 . 19703 1 891 . 1 1 101 101 VAL HG21 H 1 0.244 0.004 . . . . . A 101 VAL HG21 . 19703 1 892 . 1 1 101 101 VAL HG22 H 1 0.244 0.004 . . . . . A 101 VAL HG22 . 19703 1 893 . 1 1 101 101 VAL HG23 H 1 0.244 0.004 . . . . . A 101 VAL HG23 . 19703 1 894 . 1 1 101 101 VAL C C 13 172.314 0.017 . . . . . A 101 VAL C . 19703 1 895 . 1 1 101 101 VAL CA C 13 59.936 0.061 . . . . . A 101 VAL CA . 19703 1 896 . 1 1 101 101 VAL CB C 13 34.396 0.077 . . . . . A 101 VAL CB . 19703 1 897 . 1 1 101 101 VAL CG1 C 13 22.071 0.000 . . . . . A 101 VAL CG1 . 19703 1 898 . 1 1 101 101 VAL CG2 C 13 20.410 0.043 . . . . . A 101 VAL CG2 . 19703 1 899 . 1 1 101 101 VAL N N 15 121.510 0.048 . . . . . A 101 VAL N . 19703 1 900 . 1 1 102 102 ILE H H 1 9.582 0.016 . . . . . A 102 ILE H . 19703 1 901 . 1 1 102 102 ILE HA H 1 4.505 0.006 . . . . . A 102 ILE HA . 19703 1 902 . 1 1 102 102 ILE HB H 1 1.688 0.001 . . . . . A 102 ILE HB . 19703 1 903 . 1 1 102 102 ILE HG12 H 1 0.983 0.000 . . . . . A 102 ILE HG12 . 19703 1 904 . 1 1 102 102 ILE HG13 H 1 1.329 0.000 . . . . . A 102 ILE HG13 . 19703 1 905 . 1 1 102 102 ILE HG21 H 1 0.712 0.003 . . . . . A 102 ILE HG21 . 19703 1 906 . 1 1 102 102 ILE HG22 H 1 0.712 0.003 . . . . . A 102 ILE HG22 . 19703 1 907 . 1 1 102 102 ILE HG23 H 1 0.712 0.003 . . . . . A 102 ILE HG23 . 19703 1 908 . 1 1 102 102 ILE HD11 H 1 0.781 0.001 . . . . . A 102 ILE HD11 . 19703 1 909 . 1 1 102 102 ILE HD12 H 1 0.781 0.001 . . . . . A 102 ILE HD12 . 19703 1 910 . 1 1 102 102 ILE HD13 H 1 0.781 0.001 . . . . . A 102 ILE HD13 . 19703 1 911 . 1 1 102 102 ILE C C 13 175.584 0.000 . . . . . A 102 ILE C . 19703 1 912 . 1 1 102 102 ILE CA C 13 60.603 0.088 . . . . . A 102 ILE CA . 19703 1 913 . 1 1 102 102 ILE CB C 13 40.383 0.041 . . . . . A 102 ILE CB . 19703 1 914 . 1 1 102 102 ILE CG1 C 13 29.792 0.000 . . . . . A 102 ILE CG1 . 19703 1 915 . 1 1 102 102 ILE CG2 C 13 18.757 0.032 . . . . . A 102 ILE CG2 . 19703 1 916 . 1 1 102 102 ILE CD1 C 13 14.831 0.049 . . . . . A 102 ILE CD1 . 19703 1 917 . 1 1 102 102 ILE N N 15 126.427 0.049 . . . . . A 102 ILE N . 19703 1 918 . 1 1 103 103 LEU H H 1 8.321 0.015 . . . . . A 103 LEU H . 19703 1 919 . 1 1 103 103 LEU HA H 1 4.665 0.000 . . . . . A 103 LEU HA . 19703 1 920 . 1 1 103 103 LEU C C 13 174.725 0.000 . . . . . A 103 LEU C . 19703 1 921 . 1 1 103 103 LEU CA C 13 52.048 0.000 . . . . . A 103 LEU CA . 19703 1 922 . 1 1 103 103 LEU CB C 13 40.970 0.000 . . . . . A 103 LEU CB . 19703 1 923 . 1 1 103 103 LEU N N 15 127.589 0.024 . . . . . A 103 LEU N . 19703 1 924 . 1 1 104 104 PRO HA H 1 4.306 0.005 . . . . . A 104 PRO HA . 19703 1 925 . 1 1 104 104 PRO HB2 H 1 1.956 0.015 . . . . . A 104 PRO HB2 . 19703 1 926 . 1 1 104 104 PRO HB3 H 1 2.041 0.012 . . . . . A 104 PRO HB3 . 19703 1 927 . 1 1 104 104 PRO HG2 H 1 1.678 0.000 . . . . . A 104 PRO HG2 . 19703 1 928 . 1 1 104 104 PRO HG3 H 1 1.203 0.000 . . . . . A 104 PRO HG3 . 19703 1 929 . 1 1 104 104 PRO HD3 H 1 3.694 0.000 . . . . . A 104 PRO HD3 . 19703 1 930 . 1 1 104 104 PRO C C 13 176.389 0.000 . . . . . A 104 PRO C . 19703 1 931 . 1 1 104 104 PRO CA C 13 62.963 0.023 . . . . . A 104 PRO CA . 19703 1 932 . 1 1 104 104 PRO CB C 13 32.265 0.000 . . . . . A 104 PRO CB . 19703 1 933 . 1 1 104 104 PRO CG C 13 27.394 0.000 . . . . . A 104 PRO CG . 19703 1 934 . 1 1 104 104 PRO CD C 13 51.239 0.000 . . . . . A 104 PRO CD . 19703 1 935 . 1 1 105 105 THR H H 1 8.108 0.014 . . . . . A 105 THR H . 19703 1 936 . 1 1 105 105 THR HA H 1 4.139 0.007 . . . . . A 105 THR HA . 19703 1 937 . 1 1 105 105 THR HB H 1 4.105 0.000 . . . . . A 105 THR HB . 19703 1 938 . 1 1 105 105 THR HG21 H 1 1.166 0.001 . . . . . A 105 THR HG21 . 19703 1 939 . 1 1 105 105 THR HG22 H 1 1.166 0.001 . . . . . A 105 THR HG22 . 19703 1 940 . 1 1 105 105 THR HG23 H 1 1.166 0.001 . . . . . A 105 THR HG23 . 19703 1 941 . 1 1 105 105 THR C C 13 174.080 0.014 . . . . . A 105 THR C . 19703 1 942 . 1 1 105 105 THR CA C 13 62.593 0.045 . . . . . A 105 THR CA . 19703 1 943 . 1 1 105 105 THR CB C 13 69.871 0.006 . . . . . A 105 THR CB . 19703 1 944 . 1 1 105 105 THR CG2 C 13 21.799 0.020 . . . . . A 105 THR CG2 . 19703 1 945 . 1 1 105 105 THR N N 15 113.257 0.102 . . . . . A 105 THR N . 19703 1 946 . 1 1 106 106 GLU H H 1 8.291 0.009 . . . . . A 106 GLU H . 19703 1 947 . 1 1 106 106 GLU HA H 1 4.352 0.003 . . . . . A 106 GLU HA . 19703 1 948 . 1 1 106 106 GLU HB2 H 1 1.716 0.010 . . . . . A 106 GLU HB2 . 19703 1 949 . 1 1 106 106 GLU HB3 H 1 1.892 0.005 . . . . . A 106 GLU HB3 . 19703 1 950 . 1 1 106 106 GLU HG3 H 1 2.067 0.000 . . . . . A 106 GLU HG3 . 19703 1 951 . 1 1 106 106 GLU C C 13 176.012 0.022 . . . . . A 106 GLU C . 19703 1 952 . 1 1 106 106 GLU CA C 13 56.393 0.050 . . . . . A 106 GLU CA . 19703 1 953 . 1 1 106 106 GLU CB C 13 31.113 0.003 . . . . . A 106 GLU CB . 19703 1 954 . 1 1 106 106 GLU CG C 13 36.374 0.000 . . . . . A 106 GLU CG . 19703 1 955 . 1 1 106 106 GLU N N 15 122.035 0.088 . . . . . A 106 GLU N . 19703 1 956 . 1 1 107 107 THR H H 1 8.308 0.009 . . . . . A 107 THR H . 19703 1 957 . 1 1 107 107 THR HA H 1 4.240 0.018 . . . . . A 107 THR HA . 19703 1 958 . 1 1 107 107 THR HB H 1 4.094 0.012 . . . . . A 107 THR HB . 19703 1 959 . 1 1 107 107 THR HG21 H 1 0.962 0.000 . . . . . A 107 THR HG21 . 19703 1 960 . 1 1 107 107 THR HG22 H 1 0.962 0.000 . . . . . A 107 THR HG22 . 19703 1 961 . 1 1 107 107 THR HG23 H 1 0.962 0.000 . . . . . A 107 THR HG23 . 19703 1 962 . 1 1 107 107 THR C C 13 174.345 0.009 . . . . . A 107 THR C . 19703 1 963 . 1 1 107 107 THR CA C 13 61.839 0.096 . . . . . A 107 THR CA . 19703 1 964 . 1 1 107 107 THR CB C 13 70.027 0.040 . . . . . A 107 THR CB . 19703 1 965 . 1 1 107 107 THR CG2 C 13 21.738 0.000 . . . . . A 107 THR CG2 . 19703 1 966 . 1 1 107 107 THR N N 15 115.185 0.027 . . . . . A 107 THR N . 19703 1 967 . 1 1 108 108 ARG H H 1 8.289 0.007 . . . . . A 108 ARG H . 19703 1 968 . 1 1 108 108 ARG HA H 1 4.133 0.009 . . . . . A 108 ARG HA . 19703 1 969 . 1 1 108 108 ARG HB2 H 1 1.644 0.000 . . . . . A 108 ARG HB2 . 19703 1 970 . 1 1 108 108 ARG HB3 H 1 1.533 0.000 . . . . . A 108 ARG HB3 . 19703 1 971 . 1 1 108 108 ARG HG3 H 1 1.399 0.000 . . . . . A 108 ARG HG3 . 19703 1 972 . 1 1 108 108 ARG HD2 H 1 3.018 0.000 . . . . . A 108 ARG HD2 . 19703 1 973 . 1 1 108 108 ARG C C 13 175.543 0.007 . . . . . A 108 ARG C . 19703 1 974 . 1 1 108 108 ARG CA C 13 56.088 0.079 . . . . . A 108 ARG CA . 19703 1 975 . 1 1 108 108 ARG CB C 13 30.906 0.065 . . . . . A 108 ARG CB . 19703 1 976 . 1 1 108 108 ARG CG C 13 26.976 0.000 . . . . . A 108 ARG CG . 19703 1 977 . 1 1 108 108 ARG CD C 13 43.378 0.000 . . . . . A 108 ARG CD . 19703 1 978 . 1 1 108 108 ARG N N 15 122.789 0.046 . . . . . A 108 ARG N . 19703 1 979 . 1 1 109 109 ASN H H 1 8.365 0.006 . . . . . A 109 ASN H . 19703 1 980 . 1 1 109 109 ASN HA H 1 4.579 0.003 . . . . . A 109 ASN HA . 19703 1 981 . 1 1 109 109 ASN HB2 H 1 2.604 0.000 . . . . . A 109 ASN HB2 . 19703 1 982 . 1 1 109 109 ASN HB3 H 1 2.726 0.000 . . . . . A 109 ASN HB3 . 19703 1 983 . 1 1 109 109 ASN C C 13 175.106 0.000 . . . . . A 109 ASN C . 19703 1 984 . 1 1 109 109 ASN CA C 13 53.134 0.073 . . . . . A 109 ASN CA . 19703 1 985 . 1 1 109 109 ASN CB C 13 38.735 0.005 . . . . . A 109 ASN CB . 19703 1 986 . 1 1 109 109 ASN N N 15 120.177 0.133 . . . . . A 109 ASN N . 19703 1 987 . 1 1 110 110 ILE H H 1 7.983 0.011 . . . . . A 110 ILE H . 19703 1 988 . 1 1 110 110 ILE HA H 1 4.070 0.007 . . . . . A 110 ILE HA . 19703 1 989 . 1 1 110 110 ILE HB H 1 1.756 0.007 . . . . . A 110 ILE HB . 19703 1 990 . 1 1 110 110 ILE HG12 H 1 1.277 0.000 . . . . . A 110 ILE HG12 . 19703 1 991 . 1 1 110 110 ILE HG21 H 1 0.724 0.003 . . . . . A 110 ILE HG21 . 19703 1 992 . 1 1 110 110 ILE HG22 H 1 0.724 0.003 . . . . . A 110 ILE HG22 . 19703 1 993 . 1 1 110 110 ILE HG23 H 1 0.724 0.003 . . . . . A 110 ILE HG23 . 19703 1 994 . 1 1 110 110 ILE C C 13 175.914 0.007 . . . . . A 110 ILE C . 19703 1 995 . 1 1 110 110 ILE CA C 13 61.340 0.065 . . . . . A 110 ILE CA . 19703 1 996 . 1 1 110 110 ILE CB C 13 38.861 0.044 . . . . . A 110 ILE CB . 19703 1 997 . 1 1 110 110 ILE CG1 C 13 27.194 0.000 . . . . . A 110 ILE CG1 . 19703 1 998 . 1 1 110 110 ILE CG2 C 13 17.623 0.048 . . . . . A 110 ILE CG2 . 19703 1 999 . 1 1 110 110 ILE CD1 C 13 13.251 0.000 . . . . . A 110 ILE CD1 . 19703 1 1000 . 1 1 110 110 ILE N N 15 120.936 0.032 . . . . . A 110 ILE N . 19703 1 1001 . 1 1 111 111 SER H H 1 8.176 0.012 . . . . . A 111 SER H . 19703 1 1002 . 1 1 111 111 SER HA H 1 4.340 0.002 . . . . . A 111 SER HA . 19703 1 1003 . 1 1 111 111 SER HB3 H 1 3.681 0.002 . . . . . A 111 SER HB3 . 19703 1 1004 . 1 1 111 111 SER C C 13 173.977 0.001 . . . . . A 111 SER C . 19703 1 1005 . 1 1 111 111 SER CA C 13 58.315 0.000 . . . . . A 111 SER CA . 19703 1 1006 . 1 1 111 111 SER CB C 13 63.845 0.000 . . . . . A 111 SER CB . 19703 1 1007 . 1 1 111 111 SER N N 15 118.751 0.076 . . . . . A 111 SER N . 19703 1 1008 . 1 1 112 112 PHE H H 1 8.118 0.008 . . . . . A 112 PHE H . 19703 1 1009 . 1 1 112 112 PHE HA H 1 4.555 0.002 . . . . . A 112 PHE HA . 19703 1 1010 . 1 1 112 112 PHE HB2 H 1 3.022 0.000 . . . . . A 112 PHE HB2 . 19703 1 1011 . 1 1 112 112 PHE HB3 H 1 2.940 0.000 . . . . . A 112 PHE HB3 . 19703 1 1012 . 1 1 112 112 PHE HD1 H 1 7.232 0.000 . . . . . A 112 PHE HD1 . 19703 1 1013 . 1 1 112 112 PHE HD2 H 1 7.232 0.000 . . . . . A 112 PHE HD2 . 19703 1 1014 . 1 1 112 112 PHE HE1 H 1 7.137 0.000 . . . . . A 112 PHE HE1 . 19703 1 1015 . 1 1 112 112 PHE HE2 H 1 7.137 0.000 . . . . . A 112 PHE HE2 . 19703 1 1016 . 1 1 112 112 PHE C C 13 175.282 0.002 . . . . . A 112 PHE C . 19703 1 1017 . 1 1 112 112 PHE CA C 13 57.743 0.060 . . . . . A 112 PHE CA . 19703 1 1018 . 1 1 112 112 PHE CB C 13 39.708 0.066 . . . . . A 112 PHE CB . 19703 1 1019 . 1 1 112 112 PHE N N 15 122.536 0.024 . . . . . A 112 PHE N . 19703 1 1020 . 1 1 113 113 VAL H H 1 7.907 0.003 . . . . . A 113 VAL H . 19703 1 1021 . 1 1 113 113 VAL HA H 1 3.922 0.004 . . . . . A 113 VAL HA . 19703 1 1022 . 1 1 113 113 VAL HB H 1 1.878 0.000 . . . . . A 113 VAL HB . 19703 1 1023 . 1 1 113 113 VAL HG21 H 1 0.799 0.000 . . . . . A 113 VAL HG21 . 19703 1 1024 . 1 1 113 113 VAL HG22 H 1 0.799 0.000 . . . . . A 113 VAL HG22 . 19703 1 1025 . 1 1 113 113 VAL HG23 H 1 0.799 0.000 . . . . . A 113 VAL HG23 . 19703 1 1026 . 1 1 113 113 VAL C C 13 175.447 0.017 . . . . . A 113 VAL C . 19703 1 1027 . 1 1 113 113 VAL CA C 13 62.237 0.047 . . . . . A 113 VAL CA . 19703 1 1028 . 1 1 113 113 VAL CB C 13 32.899 0.048 . . . . . A 113 VAL CB . 19703 1 1029 . 1 1 113 113 VAL CG2 C 13 20.965 0.000 . . . . . A 113 VAL CG2 . 19703 1 1030 . 1 1 113 113 VAL N N 15 122.561 0.038 . . . . . A 113 VAL N . 19703 1 1031 . 1 1 114 114 LYS H H 1 8.283 0.009 . . . . . A 114 LYS H . 19703 1 1032 . 1 1 114 114 LYS HA H 1 4.208 0.003 . . . . . A 114 LYS HA . 19703 1 1033 . 1 1 114 114 LYS HB3 H 1 1.712 0.000 . . . . . A 114 LYS HB3 . 19703 1 1034 . 1 1 114 114 LYS C C 13 176.039 0.001 . . . . . A 114 LYS C . 19703 1 1035 . 1 1 114 114 LYS CA C 13 56.316 0.055 . . . . . A 114 LYS CA . 19703 1 1036 . 1 1 114 114 LYS CB C 13 33.152 0.030 . . . . . A 114 LYS CB . 19703 1 1037 . 1 1 114 114 LYS N N 15 125.629 0.150 . . . . . A 114 LYS N . 19703 1 1038 . 1 1 115 115 ASN H H 1 8.452 0.007 . . . . . A 115 ASN H . 19703 1 1039 . 1 1 115 115 ASN HA H 1 4.672 0.000 . . . . . A 115 ASN HA . 19703 1 1040 . 1 1 115 115 ASN HB2 H 1 2.703 0.000 . . . . . A 115 ASN HB2 . 19703 1 1041 . 1 1 115 115 ASN HB3 H 1 2.765 0.000 . . . . . A 115 ASN HB3 . 19703 1 1042 . 1 1 115 115 ASN HD21 H 1 7.540 0.008 . . . . . A 115 ASN HD21 . 19703 1 1043 . 1 1 115 115 ASN HD22 H 1 6.816 0.009 . . . . . A 115 ASN HD22 . 19703 1 1044 . 1 1 115 115 ASN C C 13 174.230 0.002 . . . . . A 115 ASN C . 19703 1 1045 . 1 1 115 115 ASN CA C 13 53.356 0.035 . . . . . A 115 ASN CA . 19703 1 1046 . 1 1 115 115 ASN CB C 13 39.079 0.039 . . . . . A 115 ASN CB . 19703 1 1047 . 1 1 115 115 ASN N N 15 121.240 0.024 . . . . . A 115 ASN N . 19703 1 1048 . 1 1 115 115 ASN ND2 N 15 112.801 0.031 . . . . . A 115 ASN ND2 . 19703 1 1049 . 1 1 116 116 SER H H 1 7.838 0.009 . . . . . A 116 SER H . 19703 1 1050 . 1 1 116 116 SER HA H 1 4.158 0.000 . . . . . A 116 SER HA . 19703 1 1051 . 1 1 116 116 SER C C 13 178.511 0.000 . . . . . A 116 SER C . 19703 1 1052 . 1 1 116 116 SER CA C 13 60.123 0.000 . . . . . A 116 SER CA . 19703 1 1053 . 1 1 116 116 SER CB C 13 64.807 0.000 . . . . . A 116 SER CB . 19703 1 1054 . 1 1 116 116 SER N N 15 121.260 0.009 . . . . . A 116 SER N . 19703 1 stop_ save_