data_11107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11107 _Entry.Title ; The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-18 _Entry.Accession_date 2010-02-22 _Entry.Last_release_date 2011-02-18 _Entry.Original_release_date 2011-02-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 11107 2 S. Koshiba . . . 11107 3 M. Inoue . . . 11107 4 T. Kigawa . . . 11107 5 S. Yokoyama . . . 11107 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 11107 '15N chemical shifts' 115 11107 '1H chemical shifts' 792 11107 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 . . 2011-02-18 2010-02-19 original author . 11107 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIZ 'BMRB Entry Tracking System' 11107 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11107 _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 ; The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _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 N. Tochio . . . 11107 1 2 S. Koshiba . . . 11107 1 3 M. Inoue . . . 11107 1 4 T. Kigawa . . . 11107 1 5 S. Yokoyama . . . 11107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11107 _Assembly.ID 1 _Assembly.Name 'Thioredoxin domain-containing protein 5' _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 '3rd thioredoxin domain' 1 $entity_1 A . yes native no no . . . 11107 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2diz . . . . . . 11107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '3rd thioredoxin domain' _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 ; GSSGSSGTVLALTENNFDDT IAEGITFIKFYAPWCGHCKT LAPTWEELSKKEFPGLAGVK IAEVDCTAERNICSKYSVRG YPTLLLFRGGKKVSEHSGGR DLDSLHRFVLSQAKDEL ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DIZ . "The Solution Structure Of The Third Thioredoxin Domain Of Human Thioredoxin Domain-Containing Protein 5" . . . . . 100.00 117 100.00 100.00 1.93e-79 . . . . 11107 1 2 no PDB 3UJ1 . "Crystal Structure Of The Third Thioredoxin Domain Of Human Erp46" . . . . . 94.02 110 100.00 100.00 9.29e-75 . . . . 11107 1 3 no PDB 3UVT . "Crystal Structure Of The Third Catalytic Domain Of Erp46" . . . . . 90.60 111 100.00 100.00 1.20e-71 . . . . 11107 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '3rd thioredoxin domain' . 11107 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 . GLY . 11107 1 2 . SER . 11107 1 3 . SER . 11107 1 4 . GLY . 11107 1 5 . SER . 11107 1 6 . SER . 11107 1 7 . GLY . 11107 1 8 . THR . 11107 1 9 . VAL . 11107 1 10 . LEU . 11107 1 11 . ALA . 11107 1 12 . LEU . 11107 1 13 . THR . 11107 1 14 . GLU . 11107 1 15 . ASN . 11107 1 16 . ASN . 11107 1 17 . PHE . 11107 1 18 . ASP . 11107 1 19 . ASP . 11107 1 20 . THR . 11107 1 21 . ILE . 11107 1 22 . ALA . 11107 1 23 . GLU . 11107 1 24 . GLY . 11107 1 25 . ILE . 11107 1 26 . THR . 11107 1 27 . PHE . 11107 1 28 . ILE . 11107 1 29 . LYS . 11107 1 30 . PHE . 11107 1 31 . TYR . 11107 1 32 . ALA . 11107 1 33 . PRO . 11107 1 34 . TRP . 11107 1 35 . CYS . 11107 1 36 . GLY . 11107 1 37 . HIS . 11107 1 38 . CYS . 11107 1 39 . LYS . 11107 1 40 . THR . 11107 1 41 . LEU . 11107 1 42 . ALA . 11107 1 43 . PRO . 11107 1 44 . THR . 11107 1 45 . TRP . 11107 1 46 . GLU . 11107 1 47 . GLU . 11107 1 48 . LEU . 11107 1 49 . SER . 11107 1 50 . LYS . 11107 1 51 . LYS . 11107 1 52 . GLU . 11107 1 53 . PHE . 11107 1 54 . PRO . 11107 1 55 . GLY . 11107 1 56 . LEU . 11107 1 57 . ALA . 11107 1 58 . GLY . 11107 1 59 . VAL . 11107 1 60 . LYS . 11107 1 61 . ILE . 11107 1 62 . ALA . 11107 1 63 . GLU . 11107 1 64 . VAL . 11107 1 65 . ASP . 11107 1 66 . CYS . 11107 1 67 . THR . 11107 1 68 . ALA . 11107 1 69 . GLU . 11107 1 70 . ARG . 11107 1 71 . ASN . 11107 1 72 . ILE . 11107 1 73 . CYS . 11107 1 74 . SER . 11107 1 75 . LYS . 11107 1 76 . TYR . 11107 1 77 . SER . 11107 1 78 . VAL . 11107 1 79 . ARG . 11107 1 80 . GLY . 11107 1 81 . TYR . 11107 1 82 . PRO . 11107 1 83 . THR . 11107 1 84 . LEU . 11107 1 85 . LEU . 11107 1 86 . LEU . 11107 1 87 . PHE . 11107 1 88 . ARG . 11107 1 89 . GLY . 11107 1 90 . GLY . 11107 1 91 . LYS . 11107 1 92 . LYS . 11107 1 93 . VAL . 11107 1 94 . SER . 11107 1 95 . GLU . 11107 1 96 . HIS . 11107 1 97 . SER . 11107 1 98 . GLY . 11107 1 99 . GLY . 11107 1 100 . ARG . 11107 1 101 . ASP . 11107 1 102 . LEU . 11107 1 103 . ASP . 11107 1 104 . SER . 11107 1 105 . LEU . 11107 1 106 . HIS . 11107 1 107 . ARG . 11107 1 108 . PHE . 11107 1 109 . VAL . 11107 1 110 . LEU . 11107 1 111 . SER . 11107 1 112 . GLN . 11107 1 113 . ALA . 11107 1 114 . LYS . 11107 1 115 . ASP . 11107 1 116 . GLU . 11107 1 117 . LEU . 11107 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11107 1 . SER 2 2 11107 1 . SER 3 3 11107 1 . GLY 4 4 11107 1 . SER 5 5 11107 1 . SER 6 6 11107 1 . GLY 7 7 11107 1 . THR 8 8 11107 1 . VAL 9 9 11107 1 . LEU 10 10 11107 1 . ALA 11 11 11107 1 . LEU 12 12 11107 1 . THR 13 13 11107 1 . GLU 14 14 11107 1 . ASN 15 15 11107 1 . ASN 16 16 11107 1 . PHE 17 17 11107 1 . ASP 18 18 11107 1 . ASP 19 19 11107 1 . THR 20 20 11107 1 . ILE 21 21 11107 1 . ALA 22 22 11107 1 . GLU 23 23 11107 1 . GLY 24 24 11107 1 . ILE 25 25 11107 1 . THR 26 26 11107 1 . PHE 27 27 11107 1 . ILE 28 28 11107 1 . LYS 29 29 11107 1 . PHE 30 30 11107 1 . TYR 31 31 11107 1 . ALA 32 32 11107 1 . PRO 33 33 11107 1 . TRP 34 34 11107 1 . CYS 35 35 11107 1 . GLY 36 36 11107 1 . HIS 37 37 11107 1 . CYS 38 38 11107 1 . LYS 39 39 11107 1 . THR 40 40 11107 1 . LEU 41 41 11107 1 . ALA 42 42 11107 1 . PRO 43 43 11107 1 . THR 44 44 11107 1 . TRP 45 45 11107 1 . GLU 46 46 11107 1 . GLU 47 47 11107 1 . LEU 48 48 11107 1 . SER 49 49 11107 1 . LYS 50 50 11107 1 . LYS 51 51 11107 1 . GLU 52 52 11107 1 . PHE 53 53 11107 1 . PRO 54 54 11107 1 . GLY 55 55 11107 1 . LEU 56 56 11107 1 . ALA 57 57 11107 1 . GLY 58 58 11107 1 . VAL 59 59 11107 1 . LYS 60 60 11107 1 . ILE 61 61 11107 1 . ALA 62 62 11107 1 . GLU 63 63 11107 1 . VAL 64 64 11107 1 . ASP 65 65 11107 1 . CYS 66 66 11107 1 . THR 67 67 11107 1 . ALA 68 68 11107 1 . GLU 69 69 11107 1 . ARG 70 70 11107 1 . ASN 71 71 11107 1 . ILE 72 72 11107 1 . CYS 73 73 11107 1 . SER 74 74 11107 1 . LYS 75 75 11107 1 . TYR 76 76 11107 1 . SER 77 77 11107 1 . VAL 78 78 11107 1 . ARG 79 79 11107 1 . GLY 80 80 11107 1 . TYR 81 81 11107 1 . PRO 82 82 11107 1 . THR 83 83 11107 1 . LEU 84 84 11107 1 . LEU 85 85 11107 1 . LEU 86 86 11107 1 . PHE 87 87 11107 1 . ARG 88 88 11107 1 . GLY 89 89 11107 1 . GLY 90 90 11107 1 . LYS 91 91 11107 1 . LYS 92 92 11107 1 . VAL 93 93 11107 1 . SER 94 94 11107 1 . GLU 95 95 11107 1 . HIS 96 96 11107 1 . SER 97 97 11107 1 . GLY 98 98 11107 1 . GLY 99 99 11107 1 . ARG 100 100 11107 1 . ASP 101 101 11107 1 . LEU 102 102 11107 1 . ASP 103 103 11107 1 . SER 104 104 11107 1 . LEU 105 105 11107 1 . HIS 106 106 11107 1 . ARG 107 107 11107 1 . PHE 108 108 11107 1 . VAL 109 109 11107 1 . LEU 110 110 11107 1 . SER 111 111 11107 1 . GLN 112 112 11107 1 . ALA 113 113 11107 1 . LYS 114 114 11107 1 . ASP 115 115 11107 1 . GLU 116 116 11107 1 . LEU 117 117 11107 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 11107 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11107 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 11107 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P050302-28 . . . . . . 11107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11107 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Thioredoxin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11107 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11107 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11107 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11107 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11107 1 6 H2O . . . . . . solvent 90 . . % . . . . 11107 1 7 D2O . . . . . . solvent 10 . . % . . . . 11107 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11107 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11107 1 pH 7.0 0.05 pH 11107 1 pressure 1 0.001 atm 11107 1 temperature 296 0.1 K 11107 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11107 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11107 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11107 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11107 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11107 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11107 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11107 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11107 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11107 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11107 _Software.ID 4 _Software.Name Kujira _Software.Version 0.955 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11107 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11107 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11107 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11107 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11107 5 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 11107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11107 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 11107 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 11107 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11107 1 2 '3D 13C-SEPARATED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11107 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11107 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11107 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11107 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11107 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-SEPARATED NOESY' 1 $sample_1 isotropic 11107 1 2 '3D 13C-SEPARATED NOESY' 1 $sample_1 isotropic 11107 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 1 $XWINNMR . . 11107 1 2 $NMRPipe . . 11107 1 3 $NMRVIEW . . 11107 1 4 $KUJIRA . . 11107 1 5 $CYANA . . 11107 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.868 0.030 . 1 . . . . 1 GLY HA2 . 11107 1 2 . 1 1 1 1 GLY HA3 H 1 3.868 0.030 . 1 . . . . 1 GLY HA3 . 11107 1 3 . 1 1 1 1 GLY CA C 13 43.655 0.300 . 1 . . . . 1 GLY CA . 11107 1 4 . 1 1 4 4 GLY HA2 H 1 4.011 0.030 . 1 . . . . 4 GLY HA2 . 11107 1 5 . 1 1 4 4 GLY HA3 H 1 4.011 0.030 . 1 . . . . 4 GLY HA3 . 11107 1 6 . 1 1 4 4 GLY C C 13 174.236 0.300 . 1 . . . . 4 GLY C . 11107 1 7 . 1 1 4 4 GLY CA C 13 45.361 0.300 . 1 . . . . 4 GLY CA . 11107 1 8 . 1 1 5 5 SER H H 1 8.282 0.030 . 1 . . . . 5 SER H . 11107 1 9 . 1 1 5 5 SER HA H 1 4.557 0.030 . 1 . . . . 5 SER HA . 11107 1 10 . 1 1 5 5 SER HB2 H 1 3.866 0.030 . 2 . . . . 5 SER HB2 . 11107 1 11 . 1 1 5 5 SER C C 13 174.761 0.300 . 1 . . . . 5 SER C . 11107 1 12 . 1 1 5 5 SER CA C 13 58.278 0.300 . 1 . . . . 5 SER CA . 11107 1 13 . 1 1 5 5 SER CB C 13 64.144 0.300 . 1 . . . . 5 SER CB . 11107 1 14 . 1 1 5 5 SER N N 15 115.763 0.300 . 1 . . . . 5 SER N . 11107 1 15 . 1 1 6 6 SER H H 1 8.484 0.030 . 1 . . . . 6 SER H . 11107 1 16 . 1 1 6 6 SER HA H 1 4.534 0.030 . 1 . . . . 6 SER HA . 11107 1 17 . 1 1 6 6 SER HB2 H 1 3.917 0.030 . 2 . . . . 6 SER HB2 . 11107 1 18 . 1 1 6 6 SER HB3 H 1 3.871 0.030 . 2 . . . . 6 SER HB3 . 11107 1 19 . 1 1 6 6 SER C C 13 175.121 0.300 . 1 . . . . 6 SER C . 11107 1 20 . 1 1 6 6 SER CA C 13 58.624 0.300 . 1 . . . . 6 SER CA . 11107 1 21 . 1 1 6 6 SER CB C 13 63.942 0.300 . 1 . . . . 6 SER CB . 11107 1 22 . 1 1 6 6 SER N N 15 117.875 0.300 . 1 . . . . 6 SER N . 11107 1 23 . 1 1 7 7 GLY H H 1 8.505 0.030 . 1 . . . . 7 GLY H . 11107 1 24 . 1 1 7 7 GLY HA2 H 1 4.003 0.030 . 1 . . . . 7 GLY HA2 . 11107 1 25 . 1 1 7 7 GLY HA3 H 1 4.003 0.030 . 1 . . . . 7 GLY HA3 . 11107 1 26 . 1 1 7 7 GLY C C 13 173.580 0.300 . 1 . . . . 7 GLY C . 11107 1 27 . 1 1 7 7 GLY CA C 13 45.798 0.300 . 1 . . . . 7 GLY CA . 11107 1 28 . 1 1 7 7 GLY N N 15 110.861 0.300 . 1 . . . . 7 GLY N . 11107 1 29 . 1 1 8 8 THR H H 1 7.866 0.030 . 1 . . . . 8 THR H . 11107 1 30 . 1 1 8 8 THR HA H 1 4.466 0.030 . 1 . . . . 8 THR HA . 11107 1 31 . 1 1 8 8 THR HB H 1 4.154 0.030 . 1 . . . . 8 THR HB . 11107 1 32 . 1 1 8 8 THR HG21 H 1 1.075 0.030 . 1 . . . . 8 THR HG2 . 11107 1 33 . 1 1 8 8 THR HG22 H 1 1.075 0.030 . 1 . . . . 8 THR HG2 . 11107 1 34 . 1 1 8 8 THR HG23 H 1 1.075 0.030 . 1 . . . . 8 THR HG2 . 11107 1 35 . 1 1 8 8 THR C C 13 173.447 0.300 . 1 . . . . 8 THR C . 11107 1 36 . 1 1 8 8 THR CA C 13 60.796 0.300 . 1 . . . . 8 THR CA . 11107 1 37 . 1 1 8 8 THR CB C 13 70.400 0.300 . 1 . . . . 8 THR CB . 11107 1 38 . 1 1 8 8 THR CG2 C 13 21.444 0.300 . 1 . . . . 8 THR CG2 . 11107 1 39 . 1 1 8 8 THR N N 15 111.914 0.300 . 1 . . . . 8 THR N . 11107 1 40 . 1 1 9 9 VAL H H 1 8.270 0.030 . 1 . . . . 9 VAL H . 11107 1 41 . 1 1 9 9 VAL HA H 1 4.125 0.030 . 1 . . . . 9 VAL HA . 11107 1 42 . 1 1 9 9 VAL HB H 1 2.038 0.030 . 1 . . . . 9 VAL HB . 11107 1 43 . 1 1 9 9 VAL HG11 H 1 0.807 0.030 . 1 . . . . 9 VAL HG1 . 11107 1 44 . 1 1 9 9 VAL HG12 H 1 0.807 0.030 . 1 . . . . 9 VAL HG1 . 11107 1 45 . 1 1 9 9 VAL HG13 H 1 0.807 0.030 . 1 . . . . 9 VAL HG1 . 11107 1 46 . 1 1 9 9 VAL HG21 H 1 0.915 0.030 . 1 . . . . 9 VAL HG2 . 11107 1 47 . 1 1 9 9 VAL HG22 H 1 0.915 0.030 . 1 . . . . 9 VAL HG2 . 11107 1 48 . 1 1 9 9 VAL HG23 H 1 0.915 0.030 . 1 . . . . 9 VAL HG2 . 11107 1 49 . 1 1 9 9 VAL C C 13 176.767 0.300 . 1 . . . . 9 VAL C . 11107 1 50 . 1 1 9 9 VAL CA C 13 61.814 0.300 . 1 . . . . 9 VAL CA . 11107 1 51 . 1 1 9 9 VAL CB C 13 31.996 0.300 . 1 . . . . 9 VAL CB . 11107 1 52 . 1 1 9 9 VAL CG1 C 13 21.427 0.300 . 2 . . . . 9 VAL CG1 . 11107 1 53 . 1 1 9 9 VAL CG2 C 13 21.647 0.300 . 2 . . . . 9 VAL CG2 . 11107 1 54 . 1 1 9 9 VAL N N 15 122.805 0.300 . 1 . . . . 9 VAL N . 11107 1 55 . 1 1 10 10 LEU H H 1 8.886 0.030 . 1 . . . . 10 LEU H . 11107 1 56 . 1 1 10 10 LEU HA H 1 4.304 0.030 . 1 . . . . 10 LEU HA . 11107 1 57 . 1 1 10 10 LEU HB2 H 1 1.621 0.030 . 2 . . . . 10 LEU HB2 . 11107 1 58 . 1 1 10 10 LEU HB3 H 1 1.425 0.030 . 2 . . . . 10 LEU HB3 . 11107 1 59 . 1 1 10 10 LEU HD11 H 1 0.885 0.030 . 1 . . . . 10 LEU HD1 . 11107 1 60 . 1 1 10 10 LEU HD12 H 1 0.885 0.030 . 1 . . . . 10 LEU HD1 . 11107 1 61 . 1 1 10 10 LEU HD13 H 1 0.885 0.030 . 1 . . . . 10 LEU HD1 . 11107 1 62 . 1 1 10 10 LEU HD21 H 1 0.815 0.030 . 1 . . . . 10 LEU HD2 . 11107 1 63 . 1 1 10 10 LEU HD22 H 1 0.815 0.030 . 1 . . . . 10 LEU HD2 . 11107 1 64 . 1 1 10 10 LEU HD23 H 1 0.815 0.030 . 1 . . . . 10 LEU HD2 . 11107 1 65 . 1 1 10 10 LEU HG H 1 1.746 0.030 . 1 . . . . 10 LEU HG . 11107 1 66 . 1 1 10 10 LEU C C 13 175.243 0.300 . 1 . . . . 10 LEU C . 11107 1 67 . 1 1 10 10 LEU CA C 13 55.027 0.300 . 1 . . . . 10 LEU CA . 11107 1 68 . 1 1 10 10 LEU CB C 13 42.499 0.300 . 1 . . . . 10 LEU CB . 11107 1 69 . 1 1 10 10 LEU CD1 C 13 25.348 0.300 . 2 . . . . 10 LEU CD1 . 11107 1 70 . 1 1 10 10 LEU CD2 C 13 23.222 0.300 . 2 . . . . 10 LEU CD2 . 11107 1 71 . 1 1 10 10 LEU CG C 13 26.917 0.300 . 1 . . . . 10 LEU CG . 11107 1 72 . 1 1 10 10 LEU N N 15 130.812 0.300 . 1 . . . . 10 LEU N . 11107 1 73 . 1 1 11 11 ALA H H 1 8.676 0.030 . 1 . . . . 11 ALA H . 11107 1 74 . 1 1 11 11 ALA HA H 1 4.799 0.030 . 1 . . . . 11 ALA HA . 11107 1 75 . 1 1 11 11 ALA HB1 H 1 1.450 0.030 . 1 . . . . 11 ALA HB . 11107 1 76 . 1 1 11 11 ALA HB2 H 1 1.450 0.030 . 1 . . . . 11 ALA HB . 11107 1 77 . 1 1 11 11 ALA HB3 H 1 1.450 0.030 . 1 . . . . 11 ALA HB . 11107 1 78 . 1 1 11 11 ALA C C 13 177.463 0.300 . 1 . . . . 11 ALA C . 11107 1 79 . 1 1 11 11 ALA CA C 13 51.604 0.300 . 1 . . . . 11 ALA CA . 11107 1 80 . 1 1 11 11 ALA CB C 13 18.637 0.300 . 1 . . . . 11 ALA CB . 11107 1 81 . 1 1 11 11 ALA N N 15 128.817 0.300 . 1 . . . . 11 ALA N . 11107 1 82 . 1 1 12 12 LEU H H 1 8.721 0.030 . 1 . . . . 12 LEU H . 11107 1 83 . 1 1 12 12 LEU HA H 1 5.270 0.030 . 1 . . . . 12 LEU HA . 11107 1 84 . 1 1 12 12 LEU HB2 H 1 1.984 0.030 . 2 . . . . 12 LEU HB2 . 11107 1 85 . 1 1 12 12 LEU HB3 H 1 1.363 0.030 . 2 . . . . 12 LEU HB3 . 11107 1 86 . 1 1 12 12 LEU HD11 H 1 0.436 0.030 . 1 . . . . 12 LEU HD1 . 11107 1 87 . 1 1 12 12 LEU HD12 H 1 0.436 0.030 . 1 . . . . 12 LEU HD1 . 11107 1 88 . 1 1 12 12 LEU HD13 H 1 0.436 0.030 . 1 . . . . 12 LEU HD1 . 11107 1 89 . 1 1 12 12 LEU HD21 H 1 0.643 0.030 . 1 . . . . 12 LEU HD2 . 11107 1 90 . 1 1 12 12 LEU HD22 H 1 0.643 0.030 . 1 . . . . 12 LEU HD2 . 11107 1 91 . 1 1 12 12 LEU HD23 H 1 0.643 0.030 . 1 . . . . 12 LEU HD2 . 11107 1 92 . 1 1 12 12 LEU HG H 1 1.649 0.030 . 1 . . . . 12 LEU HG . 11107 1 93 . 1 1 12 12 LEU C C 13 175.736 0.300 . 1 . . . . 12 LEU C . 11107 1 94 . 1 1 12 12 LEU CA C 13 53.369 0.300 . 1 . . . . 12 LEU CA . 11107 1 95 . 1 1 12 12 LEU CB C 13 42.949 0.300 . 1 . . . . 12 LEU CB . 11107 1 96 . 1 1 12 12 LEU CD1 C 13 26.613 0.300 . 2 . . . . 12 LEU CD1 . 11107 1 97 . 1 1 12 12 LEU CD2 C 13 23.117 0.300 . 2 . . . . 12 LEU CD2 . 11107 1 98 . 1 1 12 12 LEU CG C 13 27.100 0.300 . 1 . . . . 12 LEU CG . 11107 1 99 . 1 1 12 12 LEU N N 15 123.860 0.300 . 1 . . . . 12 LEU N . 11107 1 100 . 1 1 13 13 THR H H 1 9.073 0.030 . 1 . . . . 13 THR H . 11107 1 101 . 1 1 13 13 THR HA H 1 4.630 0.030 . 1 . . . . 13 THR HA . 11107 1 102 . 1 1 13 13 THR HB H 1 4.578 0.030 . 1 . . . . 13 THR HB . 11107 1 103 . 1 1 13 13 THR HG21 H 1 1.146 0.030 . 1 . . . . 13 THR HG2 . 11107 1 104 . 1 1 13 13 THR HG22 H 1 1.146 0.030 . 1 . . . . 13 THR HG2 . 11107 1 105 . 1 1 13 13 THR HG23 H 1 1.146 0.030 . 1 . . . . 13 THR HG2 . 11107 1 106 . 1 1 13 13 THR C C 13 175.596 0.300 . 1 . . . . 13 THR C . 11107 1 107 . 1 1 13 13 THR CA C 13 58.837 0.300 . 1 . . . . 13 THR CA . 11107 1 108 . 1 1 13 13 THR CB C 13 73.595 0.300 . 1 . . . . 13 THR CB . 11107 1 109 . 1 1 13 13 THR CG2 C 13 21.115 0.300 . 1 . . . . 13 THR CG2 . 11107 1 110 . 1 1 13 13 THR N N 15 111.111 0.300 . 1 . . . . 13 THR N . 11107 1 111 . 1 1 14 14 GLU H H 1 8.706 0.030 . 1 . . . . 14 GLU H . 11107 1 112 . 1 1 14 14 GLU HA H 1 4.023 0.030 . 1 . . . . 14 GLU HA . 11107 1 113 . 1 1 14 14 GLU HB2 H 1 2.201 0.030 . 2 . . . . 14 GLU HB2 . 11107 1 114 . 1 1 14 14 GLU HB3 H 1 2.138 0.030 . 2 . . . . 14 GLU HB3 . 11107 1 115 . 1 1 14 14 GLU HG2 H 1 2.476 0.030 . 2 . . . . 14 GLU HG2 . 11107 1 116 . 1 1 14 14 GLU HG3 H 1 2.390 0.030 . 2 . . . . 14 GLU HG3 . 11107 1 117 . 1 1 14 14 GLU C C 13 177.930 0.300 . 1 . . . . 14 GLU C . 11107 1 118 . 1 1 14 14 GLU CA C 13 59.864 0.300 . 1 . . . . 14 GLU CA . 11107 1 119 . 1 1 14 14 GLU CB C 13 29.641 0.300 . 1 . . . . 14 GLU CB . 11107 1 120 . 1 1 14 14 GLU CG C 13 36.697 0.300 . 1 . . . . 14 GLU CG . 11107 1 121 . 1 1 14 14 GLU N N 15 120.122 0.300 . 1 . . . . 14 GLU N . 11107 1 122 . 1 1 15 15 ASN H H 1 8.112 0.030 . 1 . . . . 15 ASN H . 11107 1 123 . 1 1 15 15 ASN HA H 1 4.647 0.030 . 1 . . . . 15 ASN HA . 11107 1 124 . 1 1 15 15 ASN HB2 H 1 2.721 0.030 . 2 . . . . 15 ASN HB2 . 11107 1 125 . 1 1 15 15 ASN HB3 H 1 2.633 0.030 . 2 . . . . 15 ASN HB3 . 11107 1 126 . 1 1 15 15 ASN HD21 H 1 7.654 0.030 . 2 . . . . 15 ASN HD21 . 11107 1 127 . 1 1 15 15 ASN HD22 H 1 7.041 0.030 . 2 . . . . 15 ASN HD22 . 11107 1 128 . 1 1 15 15 ASN C C 13 175.932 0.300 . 1 . . . . 15 ASN C . 11107 1 129 . 1 1 15 15 ASN CA C 13 55.347 0.300 . 1 . . . . 15 ASN CA . 11107 1 130 . 1 1 15 15 ASN CB C 13 39.401 0.300 . 1 . . . . 15 ASN CB . 11107 1 131 . 1 1 15 15 ASN N N 15 113.874 0.300 . 1 . . . . 15 ASN N . 11107 1 132 . 1 1 15 15 ASN ND2 N 15 113.293 0.300 . 1 . . . . 15 ASN ND2 . 11107 1 133 . 1 1 16 16 ASN H H 1 7.672 0.030 . 1 . . . . 16 ASN H . 11107 1 134 . 1 1 16 16 ASN HA H 1 5.144 0.030 . 1 . . . . 16 ASN HA . 11107 1 135 . 1 1 16 16 ASN HB2 H 1 3.158 0.030 . 2 . . . . 16 ASN HB2 . 11107 1 136 . 1 1 16 16 ASN HB3 H 1 2.687 0.030 . 2 . . . . 16 ASN HB3 . 11107 1 137 . 1 1 16 16 ASN HD21 H 1 7.477 0.030 . 2 . . . . 16 ASN HD21 . 11107 1 138 . 1 1 16 16 ASN HD22 H 1 6.396 0.030 . 2 . . . . 16 ASN HD22 . 11107 1 139 . 1 1 16 16 ASN C C 13 178.224 0.300 . 1 . . . . 16 ASN C . 11107 1 140 . 1 1 16 16 ASN CA C 13 52.824 0.300 . 1 . . . . 16 ASN CA . 11107 1 141 . 1 1 16 16 ASN CB C 13 39.509 0.300 . 1 . . . . 16 ASN CB . 11107 1 142 . 1 1 16 16 ASN N N 15 114.797 0.300 . 1 . . . . 16 ASN N . 11107 1 143 . 1 1 16 16 ASN ND2 N 15 106.365 0.300 . 1 . . . . 16 ASN ND2 . 11107 1 144 . 1 1 17 17 PHE H H 1 8.478 0.030 . 1 . . . . 17 PHE H . 11107 1 145 . 1 1 17 17 PHE HA H 1 3.740 0.030 . 1 . . . . 17 PHE HA . 11107 1 146 . 1 1 17 17 PHE HB2 H 1 3.133 0.030 . 1 . . . . 17 PHE HB2 . 11107 1 147 . 1 1 17 17 PHE HB3 H 1 3.133 0.030 . 1 . . . . 17 PHE HB3 . 11107 1 148 . 1 1 17 17 PHE HD1 H 1 6.996 0.030 . 1 . . . . 17 PHE HD1 . 11107 1 149 . 1 1 17 17 PHE HD2 H 1 6.996 0.030 . 1 . . . . 17 PHE HD2 . 11107 1 150 . 1 1 17 17 PHE HE1 H 1 6.968 0.030 . 1 . . . . 17 PHE HE1 . 11107 1 151 . 1 1 17 17 PHE HE2 H 1 6.968 0.030 . 1 . . . . 17 PHE HE2 . 11107 1 152 . 1 1 17 17 PHE HZ H 1 6.268 0.030 . 1 . . . . 17 PHE HZ . 11107 1 153 . 1 1 17 17 PHE C C 13 176.241 0.300 . 1 . . . . 17 PHE C . 11107 1 154 . 1 1 17 17 PHE CA C 13 64.306 0.300 . 1 . . . . 17 PHE CA . 11107 1 155 . 1 1 17 17 PHE CB C 13 39.814 0.300 . 1 . . . . 17 PHE CB . 11107 1 156 . 1 1 17 17 PHE CD1 C 13 131.790 0.300 . 1 . . . . 17 PHE CD1 . 11107 1 157 . 1 1 17 17 PHE CD2 C 13 131.790 0.300 . 1 . . . . 17 PHE CD2 . 11107 1 158 . 1 1 17 17 PHE CE1 C 13 131.378 0.300 . 1 . . . . 17 PHE CE1 . 11107 1 159 . 1 1 17 17 PHE CE2 C 13 131.378 0.300 . 1 . . . . 17 PHE CE2 . 11107 1 160 . 1 1 17 17 PHE CZ C 13 129.321 0.300 . 1 . . . . 17 PHE CZ . 11107 1 161 . 1 1 17 17 PHE N N 15 125.791 0.300 . 1 . . . . 17 PHE N . 11107 1 162 . 1 1 18 18 ASP H H 1 8.645 0.030 . 1 . . . . 18 ASP H . 11107 1 163 . 1 1 18 18 ASP HA H 1 4.256 0.030 . 1 . . . . 18 ASP HA . 11107 1 164 . 1 1 18 18 ASP HB2 H 1 2.600 0.030 . 1 . . . . 18 ASP HB2 . 11107 1 165 . 1 1 18 18 ASP HB3 H 1 2.600 0.030 . 1 . . . . 18 ASP HB3 . 11107 1 166 . 1 1 18 18 ASP C C 13 179.158 0.300 . 1 . . . . 18 ASP C . 11107 1 167 . 1 1 18 18 ASP CA C 13 57.893 0.300 . 1 . . . . 18 ASP CA . 11107 1 168 . 1 1 18 18 ASP CB C 13 40.057 0.300 . 1 . . . . 18 ASP CB . 11107 1 169 . 1 1 18 18 ASP N N 15 119.292 0.300 . 1 . . . . 18 ASP N . 11107 1 170 . 1 1 19 19 ASP H H 1 8.671 0.030 . 1 . . . . 19 ASP H . 11107 1 171 . 1 1 19 19 ASP HA H 1 4.261 0.030 . 1 . . . . 19 ASP HA . 11107 1 172 . 1 1 19 19 ASP HB2 H 1 2.564 0.030 . 2 . . . . 19 ASP HB2 . 11107 1 173 . 1 1 19 19 ASP HB3 H 1 2.445 0.030 . 2 . . . . 19 ASP HB3 . 11107 1 174 . 1 1 19 19 ASP C C 13 178.546 0.300 . 1 . . . . 19 ASP C . 11107 1 175 . 1 1 19 19 ASP CA C 13 56.712 0.300 . 1 . . . . 19 ASP CA . 11107 1 176 . 1 1 19 19 ASP CB C 13 40.643 0.300 . 1 . . . . 19 ASP CB . 11107 1 177 . 1 1 19 19 ASP N N 15 118.473 0.300 . 1 . . . . 19 ASP N . 11107 1 178 . 1 1 20 20 THR H H 1 7.603 0.030 . 1 . . . . 20 THR H . 11107 1 179 . 1 1 20 20 THR HA H 1 3.838 0.030 . 1 . . . . 20 THR HA . 11107 1 180 . 1 1 20 20 THR HB H 1 3.951 0.030 . 1 . . . . 20 THR HB . 11107 1 181 . 1 1 20 20 THR HG21 H 1 0.948 0.030 . 1 . . . . 20 THR HG2 . 11107 1 182 . 1 1 20 20 THR HG22 H 1 0.948 0.030 . 1 . . . . 20 THR HG2 . 11107 1 183 . 1 1 20 20 THR HG23 H 1 0.948 0.030 . 1 . . . . 20 THR HG2 . 11107 1 184 . 1 1 20 20 THR C C 13 175.533 0.300 . 1 . . . . 20 THR C . 11107 1 185 . 1 1 20 20 THR CA C 13 67.074 0.300 . 1 . . . . 20 THR CA . 11107 1 186 . 1 1 20 20 THR CB C 13 67.935 0.300 . 1 . . . . 20 THR CB . 11107 1 187 . 1 1 20 20 THR CG2 C 13 20.936 0.300 . 1 . . . . 20 THR CG2 . 11107 1 188 . 1 1 20 20 THR N N 15 115.238 0.300 . 1 . . . . 20 THR N . 11107 1 189 . 1 1 21 21 ILE H H 1 7.475 0.030 . 1 . . . . 21 ILE H . 11107 1 190 . 1 1 21 21 ILE HA H 1 4.043 0.030 . 1 . . . . 21 ILE HA . 11107 1 191 . 1 1 21 21 ILE HB H 1 1.388 0.030 . 1 . . . . 21 ILE HB . 11107 1 192 . 1 1 21 21 ILE HD11 H 1 0.476 0.030 . 1 . . . . 21 ILE HD1 . 11107 1 193 . 1 1 21 21 ILE HD12 H 1 0.476 0.030 . 1 . . . . 21 ILE HD1 . 11107 1 194 . 1 1 21 21 ILE HD13 H 1 0.476 0.030 . 1 . . . . 21 ILE HD1 . 11107 1 195 . 1 1 21 21 ILE HG12 H 1 1.011 0.030 . 1 . . . . 21 ILE HG12 . 11107 1 196 . 1 1 21 21 ILE HG13 H 1 1.011 0.030 . 1 . . . . 21 ILE HG13 . 11107 1 197 . 1 1 21 21 ILE HG21 H 1 -0.311 0.030 . 1 . . . . 21 ILE HG2 . 11107 1 198 . 1 1 21 21 ILE HG22 H 1 -0.311 0.030 . 1 . . . . 21 ILE HG2 . 11107 1 199 . 1 1 21 21 ILE HG23 H 1 -0.311 0.030 . 1 . . . . 21 ILE HG2 . 11107 1 200 . 1 1 21 21 ILE C C 13 178.507 0.300 . 1 . . . . 21 ILE C . 11107 1 201 . 1 1 21 21 ILE CA C 13 62.649 0.300 . 1 . . . . 21 ILE CA . 11107 1 202 . 1 1 21 21 ILE CB C 13 39.147 0.300 . 1 . . . . 21 ILE CB . 11107 1 203 . 1 1 21 21 ILE CD1 C 13 16.501 0.300 . 1 . . . . 21 ILE CD1 . 11107 1 204 . 1 1 21 21 ILE CG1 C 13 26.086 0.300 . 1 . . . . 21 ILE CG1 . 11107 1 205 . 1 1 21 21 ILE CG2 C 13 16.906 0.300 . 1 . . . . 21 ILE CG2 . 11107 1 206 . 1 1 21 21 ILE N N 15 109.490 0.300 . 1 . . . . 21 ILE N . 11107 1 207 . 1 1 22 22 ALA H H 1 7.057 0.030 . 1 . . . . 22 ALA H . 11107 1 208 . 1 1 22 22 ALA HA H 1 3.705 0.030 . 1 . . . . 22 ALA HA . 11107 1 209 . 1 1 22 22 ALA HB1 H 1 1.461 0.030 . 1 . . . . 22 ALA HB . 11107 1 210 . 1 1 22 22 ALA HB2 H 1 1.461 0.030 . 1 . . . . 22 ALA HB . 11107 1 211 . 1 1 22 22 ALA HB3 H 1 1.461 0.030 . 1 . . . . 22 ALA HB . 11107 1 212 . 1 1 22 22 ALA C C 13 176.390 0.300 . 1 . . . . 22 ALA C . 11107 1 213 . 1 1 22 22 ALA CA C 13 55.201 0.300 . 1 . . . . 22 ALA CA . 11107 1 214 . 1 1 22 22 ALA CB C 13 19.615 0.300 . 1 . . . . 22 ALA CB . 11107 1 215 . 1 1 22 22 ALA N N 15 123.359 0.300 . 1 . . . . 22 ALA N . 11107 1 216 . 1 1 23 23 GLU H H 1 7.164 0.030 . 1 . . . . 23 GLU H . 11107 1 217 . 1 1 23 23 GLU HA H 1 4.689 0.030 . 1 . . . . 23 GLU HA . 11107 1 218 . 1 1 23 23 GLU HB2 H 1 1.943 0.030 . 2 . . . . 23 GLU HB2 . 11107 1 219 . 1 1 23 23 GLU HB3 H 1 1.800 0.030 . 2 . . . . 23 GLU HB3 . 11107 1 220 . 1 1 23 23 GLU HG2 H 1 2.168 0.030 . 2 . . . . 23 GLU HG2 . 11107 1 221 . 1 1 23 23 GLU HG3 H 1 2.135 0.030 . 2 . . . . 23 GLU HG3 . 11107 1 222 . 1 1 23 23 GLU C C 13 176.098 0.300 . 1 . . . . 23 GLU C . 11107 1 223 . 1 1 23 23 GLU CA C 13 53.868 0.300 . 1 . . . . 23 GLU CA . 11107 1 224 . 1 1 23 23 GLU CB C 13 32.951 0.300 . 1 . . . . 23 GLU CB . 11107 1 225 . 1 1 23 23 GLU CG C 13 36.023 0.300 . 1 . . . . 23 GLU CG . 11107 1 226 . 1 1 23 23 GLU N N 15 112.658 0.300 . 1 . . . . 23 GLU N . 11107 1 227 . 1 1 24 24 GLY H H 1 8.889 0.030 . 1 . . . . 24 GLY H . 11107 1 228 . 1 1 24 24 GLY HA2 H 1 4.056 0.030 . 2 . . . . 24 GLY HA2 . 11107 1 229 . 1 1 24 24 GLY HA3 H 1 3.871 0.030 . 2 . . . . 24 GLY HA3 . 11107 1 230 . 1 1 24 24 GLY C C 13 173.874 0.300 . 1 . . . . 24 GLY C . 11107 1 231 . 1 1 24 24 GLY CA C 13 45.602 0.300 . 1 . . . . 24 GLY CA . 11107 1 232 . 1 1 24 24 GLY N N 15 110.664 0.300 . 1 . . . . 24 GLY N . 11107 1 233 . 1 1 25 25 ILE H H 1 8.210 0.030 . 1 . . . . 25 ILE H . 11107 1 234 . 1 1 25 25 ILE HA H 1 4.888 0.030 . 1 . . . . 25 ILE HA . 11107 1 235 . 1 1 25 25 ILE HB H 1 1.533 0.030 . 1 . . . . 25 ILE HB . 11107 1 236 . 1 1 25 25 ILE HD11 H 1 0.765 0.030 . 1 . . . . 25 ILE HD1 . 11107 1 237 . 1 1 25 25 ILE HD12 H 1 0.765 0.030 . 1 . . . . 25 ILE HD1 . 11107 1 238 . 1 1 25 25 ILE HD13 H 1 0.765 0.030 . 1 . . . . 25 ILE HD1 . 11107 1 239 . 1 1 25 25 ILE HG12 H 1 0.881 0.030 . 2 . . . . 25 ILE HG12 . 11107 1 240 . 1 1 25 25 ILE HG13 H 1 1.617 0.030 . 2 . . . . 25 ILE HG13 . 11107 1 241 . 1 1 25 25 ILE HG21 H 1 0.743 0.030 . 1 . . . . 25 ILE HG2 . 11107 1 242 . 1 1 25 25 ILE HG22 H 1 0.743 0.030 . 1 . . . . 25 ILE HG2 . 11107 1 243 . 1 1 25 25 ILE HG23 H 1 0.743 0.030 . 1 . . . . 25 ILE HG2 . 11107 1 244 . 1 1 25 25 ILE C C 13 174.824 0.300 . 1 . . . . 25 ILE C . 11107 1 245 . 1 1 25 25 ILE CA C 13 60.270 0.300 . 1 . . . . 25 ILE CA . 11107 1 246 . 1 1 25 25 ILE CB C 13 40.808 0.300 . 1 . . . . 25 ILE CB . 11107 1 247 . 1 1 25 25 ILE CD1 C 13 14.391 0.300 . 1 . . . . 25 ILE CD1 . 11107 1 248 . 1 1 25 25 ILE CG1 C 13 28.360 0.300 . 1 . . . . 25 ILE CG1 . 11107 1 249 . 1 1 25 25 ILE CG2 C 13 17.810 0.300 . 1 . . . . 25 ILE CG2 . 11107 1 250 . 1 1 25 25 ILE N N 15 124.660 0.300 . 1 . . . . 25 ILE N . 11107 1 251 . 1 1 26 26 THR H H 1 8.864 0.030 . 1 . . . . 26 THR H . 11107 1 252 . 1 1 26 26 THR HA H 1 5.270 0.030 . 1 . . . . 26 THR HA . 11107 1 253 . 1 1 26 26 THR HB H 1 3.718 0.030 . 1 . . . . 26 THR HB . 11107 1 254 . 1 1 26 26 THR HG21 H 1 0.762 0.030 . 1 . . . . 26 THR HG2 . 11107 1 255 . 1 1 26 26 THR HG22 H 1 0.762 0.030 . 1 . . . . 26 THR HG2 . 11107 1 256 . 1 1 26 26 THR HG23 H 1 0.762 0.030 . 1 . . . . 26 THR HG2 . 11107 1 257 . 1 1 26 26 THR C C 13 172.860 0.300 . 1 . . . . 26 THR C . 11107 1 258 . 1 1 26 26 THR CA C 13 61.463 0.300 . 1 . . . . 26 THR CA . 11107 1 259 . 1 1 26 26 THR CB C 13 69.402 0.300 . 1 . . . . 26 THR CB . 11107 1 260 . 1 1 26 26 THR CG2 C 13 21.550 0.300 . 1 . . . . 26 THR CG2 . 11107 1 261 . 1 1 26 26 THR N N 15 124.248 0.300 . 1 . . . . 26 THR N . 11107 1 262 . 1 1 27 27 PHE H H 1 9.450 0.030 . 1 . . . . 27 PHE H . 11107 1 263 . 1 1 27 27 PHE HA H 1 6.080 0.030 . 1 . . . . 27 PHE HA . 11107 1 264 . 1 1 27 27 PHE HB2 H 1 3.537 0.030 . 2 . . . . 27 PHE HB2 . 11107 1 265 . 1 1 27 27 PHE HB3 H 1 2.649 0.030 . 2 . . . . 27 PHE HB3 . 11107 1 266 . 1 1 27 27 PHE HD1 H 1 7.227 0.030 . 1 . . . . 27 PHE HD1 . 11107 1 267 . 1 1 27 27 PHE HD2 H 1 7.227 0.030 . 1 . . . . 27 PHE HD2 . 11107 1 268 . 1 1 27 27 PHE HE1 H 1 7.173 0.030 . 1 . . . . 27 PHE HE1 . 11107 1 269 . 1 1 27 27 PHE HE2 H 1 7.173 0.030 . 1 . . . . 27 PHE HE2 . 11107 1 270 . 1 1 27 27 PHE HZ H 1 6.897 0.030 . 1 . . . . 27 PHE HZ . 11107 1 271 . 1 1 27 27 PHE C C 13 174.073 0.300 . 1 . . . . 27 PHE C . 11107 1 272 . 1 1 27 27 PHE CA C 13 52.112 0.300 . 1 . . . . 27 PHE CA . 11107 1 273 . 1 1 27 27 PHE CB C 13 39.997 0.300 . 1 . . . . 27 PHE CB . 11107 1 274 . 1 1 27 27 PHE CE1 C 13 131.454 0.300 . 1 . . . . 27 PHE CE1 . 11107 1 275 . 1 1 27 27 PHE CE2 C 13 131.454 0.300 . 1 . . . . 27 PHE CE2 . 11107 1 276 . 1 1 27 27 PHE CZ C 13 129.461 0.300 . 1 . . . . 27 PHE CZ . 11107 1 277 . 1 1 27 27 PHE N N 15 131.600 0.300 . 1 . . . . 27 PHE N . 11107 1 278 . 1 1 28 28 ILE H H 1 9.760 0.030 . 1 . . . . 28 ILE H . 11107 1 279 . 1 1 28 28 ILE HA H 1 4.418 0.030 . 1 . . . . 28 ILE HA . 11107 1 280 . 1 1 28 28 ILE HB H 1 1.918 0.030 . 1 . . . . 28 ILE HB . 11107 1 281 . 1 1 28 28 ILE HD11 H 1 0.283 0.030 . 1 . . . . 28 ILE HD1 . 11107 1 282 . 1 1 28 28 ILE HD12 H 1 0.283 0.030 . 1 . . . . 28 ILE HD1 . 11107 1 283 . 1 1 28 28 ILE HD13 H 1 0.283 0.030 . 1 . . . . 28 ILE HD1 . 11107 1 284 . 1 1 28 28 ILE HG12 H 1 1.789 0.030 . 2 . . . . 28 ILE HG12 . 11107 1 285 . 1 1 28 28 ILE HG13 H 1 0.520 0.030 . 2 . . . . 28 ILE HG13 . 11107 1 286 . 1 1 28 28 ILE HG21 H 1 -0.087 0.030 . 1 . . . . 28 ILE HG2 . 11107 1 287 . 1 1 28 28 ILE HG22 H 1 -0.087 0.030 . 1 . . . . 28 ILE HG2 . 11107 1 288 . 1 1 28 28 ILE HG23 H 1 -0.087 0.030 . 1 . . . . 28 ILE HG2 . 11107 1 289 . 1 1 28 28 ILE C C 13 172.944 0.300 . 1 . . . . 28 ILE C . 11107 1 290 . 1 1 28 28 ILE CA C 13 61.814 0.300 . 1 . . . . 28 ILE CA . 11107 1 291 . 1 1 28 28 ILE CB C 13 40.741 0.300 . 1 . . . . 28 ILE CB . 11107 1 292 . 1 1 28 28 ILE CD1 C 13 15.445 0.300 . 1 . . . . 28 ILE CD1 . 11107 1 293 . 1 1 28 28 ILE CG1 C 13 28.215 0.300 . 1 . . . . 28 ILE CG1 . 11107 1 294 . 1 1 28 28 ILE CG2 C 13 17.942 0.300 . 1 . . . . 28 ILE CG2 . 11107 1 295 . 1 1 28 28 ILE N N 15 126.326 0.300 . 1 . . . . 28 ILE N . 11107 1 296 . 1 1 29 29 LYS H H 1 7.917 0.030 . 1 . . . . 29 LYS H . 11107 1 297 . 1 1 29 29 LYS HA H 1 4.142 0.030 . 1 . . . . 29 LYS HA . 11107 1 298 . 1 1 29 29 LYS HB2 H 1 0.749 0.030 . 2 . . . . 29 LYS HB2 . 11107 1 299 . 1 1 29 29 LYS HB3 H 1 -0.661 0.030 . 2 . . . . 29 LYS HB3 . 11107 1 300 . 1 1 29 29 LYS HD2 H 1 0.887 0.030 . 2 . . . . 29 LYS HD2 . 11107 1 301 . 1 1 29 29 LYS HD3 H 1 0.498 0.030 . 2 . . . . 29 LYS HD3 . 11107 1 302 . 1 1 29 29 LYS HE2 H 1 2.157 0.030 . 2 . . . . 29 LYS HE2 . 11107 1 303 . 1 1 29 29 LYS HE3 H 1 1.778 0.030 . 2 . . . . 29 LYS HE3 . 11107 1 304 . 1 1 29 29 LYS HG2 H 1 0.492 0.030 . 1 . . . . 29 LYS HG2 . 11107 1 305 . 1 1 29 29 LYS HG3 H 1 0.492 0.030 . 1 . . . . 29 LYS HG3 . 11107 1 306 . 1 1 29 29 LYS C C 13 174.240 0.300 . 1 . . . . 29 LYS C . 11107 1 307 . 1 1 29 29 LYS CA C 13 54.268 0.300 . 1 . . . . 29 LYS CA . 11107 1 308 . 1 1 29 29 LYS CB C 13 29.368 0.300 . 1 . . . . 29 LYS CB . 11107 1 309 . 1 1 29 29 LYS CD C 13 28.617 0.300 . 1 . . . . 29 LYS CD . 11107 1 310 . 1 1 29 29 LYS CE C 13 41.931 0.300 . 1 . . . . 29 LYS CE . 11107 1 311 . 1 1 29 29 LYS CG C 13 23.186 0.300 . 1 . . . . 29 LYS CG . 11107 1 312 . 1 1 29 29 LYS N N 15 127.815 0.300 . 1 . . . . 29 LYS N . 11107 1 313 . 1 1 30 30 PHE H H 1 9.623 0.030 . 1 . . . . 30 PHE H . 11107 1 314 . 1 1 30 30 PHE HA H 1 5.245 0.030 . 1 . . . . 30 PHE HA . 11107 1 315 . 1 1 30 30 PHE HB2 H 1 3.429 0.030 . 2 . . . . 30 PHE HB2 . 11107 1 316 . 1 1 30 30 PHE HB3 H 1 3.253 0.030 . 2 . . . . 30 PHE HB3 . 11107 1 317 . 1 1 30 30 PHE HD1 H 1 7.552 0.030 . 1 . . . . 30 PHE HD1 . 11107 1 318 . 1 1 30 30 PHE HD2 H 1 7.552 0.030 . 1 . . . . 30 PHE HD2 . 11107 1 319 . 1 1 30 30 PHE HE1 H 1 7.249 0.030 . 1 . . . . 30 PHE HE1 . 11107 1 320 . 1 1 30 30 PHE HE2 H 1 7.249 0.030 . 1 . . . . 30 PHE HE2 . 11107 1 321 . 1 1 30 30 PHE HZ H 1 7.018 0.030 . 1 . . . . 30 PHE HZ . 11107 1 322 . 1 1 30 30 PHE C C 13 175.939 0.300 . 1 . . . . 30 PHE C . 11107 1 323 . 1 1 30 30 PHE CA C 13 58.179 0.300 . 1 . . . . 30 PHE CA . 11107 1 324 . 1 1 30 30 PHE CB C 13 39.057 0.300 . 1 . . . . 30 PHE CB . 11107 1 325 . 1 1 30 30 PHE CD1 C 13 133.149 0.300 . 1 . . . . 30 PHE CD1 . 11107 1 326 . 1 1 30 30 PHE CD2 C 13 133.149 0.300 . 1 . . . . 30 PHE CD2 . 11107 1 327 . 1 1 30 30 PHE CE1 C 13 130.515 0.300 . 1 . . . . 30 PHE CE1 . 11107 1 328 . 1 1 30 30 PHE CE2 C 13 130.515 0.300 . 1 . . . . 30 PHE CE2 . 11107 1 329 . 1 1 30 30 PHE CZ C 13 127.874 0.300 . 1 . . . . 30 PHE CZ . 11107 1 330 . 1 1 30 30 PHE N N 15 131.563 0.300 . 1 . . . . 30 PHE N . 11107 1 331 . 1 1 31 31 TYR H H 1 9.093 0.030 . 1 . . . . 31 TYR H . 11107 1 332 . 1 1 31 31 TYR HA H 1 5.153 0.030 . 1 . . . . 31 TYR HA . 11107 1 333 . 1 1 31 31 TYR HB2 H 1 2.793 0.030 . 2 . . . . 31 TYR HB2 . 11107 1 334 . 1 1 31 31 TYR HB3 H 1 2.306 0.030 . 2 . . . . 31 TYR HB3 . 11107 1 335 . 1 1 31 31 TYR HD1 H 1 6.645 0.030 . 1 . . . . 31 TYR HD1 . 11107 1 336 . 1 1 31 31 TYR HD2 H 1 6.645 0.030 . 1 . . . . 31 TYR HD2 . 11107 1 337 . 1 1 31 31 TYR HE1 H 1 6.336 0.030 . 1 . . . . 31 TYR HE1 . 11107 1 338 . 1 1 31 31 TYR HE2 H 1 6.336 0.030 . 1 . . . . 31 TYR HE2 . 11107 1 339 . 1 1 31 31 TYR C C 13 170.103 0.300 . 1 . . . . 31 TYR C . 11107 1 340 . 1 1 31 31 TYR CA C 13 54.893 0.300 . 1 . . . . 31 TYR CA . 11107 1 341 . 1 1 31 31 TYR CB C 13 43.473 0.300 . 1 . . . . 31 TYR CB . 11107 1 342 . 1 1 31 31 TYR CD1 C 13 133.476 0.300 . 1 . . . . 31 TYR CD1 . 11107 1 343 . 1 1 31 31 TYR CD2 C 13 133.476 0.300 . 1 . . . . 31 TYR CD2 . 11107 1 344 . 1 1 31 31 TYR CE1 C 13 117.143 0.300 . 1 . . . . 31 TYR CE1 . 11107 1 345 . 1 1 31 31 TYR CE2 C 13 117.143 0.300 . 1 . . . . 31 TYR CE2 . 11107 1 346 . 1 1 31 31 TYR N N 15 121.325 0.300 . 1 . . . . 31 TYR N . 11107 1 347 . 1 1 32 32 ALA H H 1 6.856 0.030 . 1 . . . . 32 ALA H . 11107 1 348 . 1 1 32 32 ALA HA H 1 4.199 0.030 . 1 . . . . 32 ALA HA . 11107 1 349 . 1 1 32 32 ALA HB1 H 1 -0.449 0.030 . 1 . . . . 32 ALA HB . 11107 1 350 . 1 1 32 32 ALA HB2 H 1 -0.449 0.030 . 1 . . . . 32 ALA HB . 11107 1 351 . 1 1 32 32 ALA HB3 H 1 -0.449 0.030 . 1 . . . . 32 ALA HB . 11107 1 352 . 1 1 32 32 ALA C C 13 176.725 0.300 . 1 . . . . 32 ALA C . 11107 1 353 . 1 1 32 32 ALA CA C 13 48.055 0.300 . 1 . . . . 32 ALA CA . 11107 1 354 . 1 1 32 32 ALA CB C 13 19.881 0.300 . 1 . . . . 32 ALA CB . 11107 1 355 . 1 1 32 32 ALA N N 15 119.346 0.300 . 1 . . . . 32 ALA N . 11107 1 356 . 1 1 33 33 PRO HA H 1 4.252 0.030 . 1 . . . . 33 PRO HA . 11107 1 357 . 1 1 33 33 PRO HB2 H 1 2.415 0.030 . 2 . . . . 33 PRO HB2 . 11107 1 358 . 1 1 33 33 PRO HB3 H 1 1.983 0.030 . 2 . . . . 33 PRO HB3 . 11107 1 359 . 1 1 33 33 PRO HD2 H 1 3.402 0.030 . 2 . . . . 33 PRO HD2 . 11107 1 360 . 1 1 33 33 PRO HD3 H 1 3.327 0.030 . 2 . . . . 33 PRO HD3 . 11107 1 361 . 1 1 33 33 PRO HG2 H 1 2.049 0.030 . 2 . . . . 33 PRO HG2 . 11107 1 362 . 1 1 33 33 PRO HG3 H 1 1.976 0.030 . 2 . . . . 33 PRO HG3 . 11107 1 363 . 1 1 33 33 PRO C C 13 175.838 0.300 . 1 . . . . 33 PRO C . 11107 1 364 . 1 1 33 33 PRO CA C 13 64.610 0.300 . 1 . . . . 33 PRO CA . 11107 1 365 . 1 1 33 33 PRO CB C 13 32.162 0.300 . 1 . . . . 33 PRO CB . 11107 1 366 . 1 1 33 33 PRO CD C 13 51.637 0.300 . 1 . . . . 33 PRO CD . 11107 1 367 . 1 1 33 33 PRO CG C 13 27.688 0.300 . 1 . . . . 33 PRO CG . 11107 1 368 . 1 1 34 34 TRP H H 1 6.068 0.030 . 1 . . . . 34 TRP H . 11107 1 369 . 1 1 34 34 TRP HA H 1 4.533 0.030 . 1 . . . . 34 TRP HA . 11107 1 370 . 1 1 34 34 TRP HB2 H 1 3.582 0.030 . 2 . . . . 34 TRP HB2 . 11107 1 371 . 1 1 34 34 TRP HB3 H 1 3.182 0.030 . 2 . . . . 34 TRP HB3 . 11107 1 372 . 1 1 34 34 TRP HD1 H 1 7.361 0.030 . 1 . . . . 34 TRP HD1 . 11107 1 373 . 1 1 34 34 TRP HE1 H 1 10.198 0.030 . 1 . . . . 34 TRP HE1 . 11107 1 374 . 1 1 34 34 TRP HE3 H 1 7.359 0.030 . 1 . . . . 34 TRP HE3 . 11107 1 375 . 1 1 34 34 TRP HH2 H 1 7.410 0.030 . 1 . . . . 34 TRP HH2 . 11107 1 376 . 1 1 34 34 TRP HZ2 H 1 7.509 0.030 . 1 . . . . 34 TRP HZ2 . 11107 1 377 . 1 1 34 34 TRP HZ3 H 1 7.308 0.030 . 1 . . . . 34 TRP HZ3 . 11107 1 378 . 1 1 34 34 TRP C C 13 176.214 0.300 . 1 . . . . 34 TRP C . 11107 1 379 . 1 1 34 34 TRP CA C 13 53.977 0.300 . 1 . . . . 34 TRP CA . 11107 1 380 . 1 1 34 34 TRP CB C 13 29.373 0.300 . 1 . . . . 34 TRP CB . 11107 1 381 . 1 1 34 34 TRP CD1 C 13 128.144 0.300 . 1 . . . . 34 TRP CD1 . 11107 1 382 . 1 1 34 34 TRP CE3 C 13 121.116 0.300 . 1 . . . . 34 TRP CE3 . 11107 1 383 . 1 1 34 34 TRP CH2 C 13 125.428 0.300 . 1 . . . . 34 TRP CH2 . 11107 1 384 . 1 1 34 34 TRP CZ2 C 13 114.773 0.300 . 1 . . . . 34 TRP CZ2 . 11107 1 385 . 1 1 34 34 TRP CZ3 C 13 122.182 0.300 . 1 . . . . 34 TRP CZ3 . 11107 1 386 . 1 1 34 34 TRP N N 15 109.456 0.300 . 1 . . . . 34 TRP N . 11107 1 387 . 1 1 34 34 TRP NE1 N 15 130.649 0.300 . 1 . . . . 34 TRP NE1 . 11107 1 388 . 1 1 35 35 CYS H H 1 6.771 0.030 . 1 . . . . 35 CYS H . 11107 1 389 . 1 1 35 35 CYS HA H 1 4.372 0.030 . 1 . . . . 35 CYS HA . 11107 1 390 . 1 1 35 35 CYS HB2 H 1 2.678 0.030 . 2 . . . . 35 CYS HB2 . 11107 1 391 . 1 1 35 35 CYS HB3 H 1 2.134 0.030 . 2 . . . . 35 CYS HB3 . 11107 1 392 . 1 1 35 35 CYS C C 13 178.175 0.300 . 1 . . . . 35 CYS C . 11107 1 393 . 1 1 35 35 CYS CA C 13 60.250 0.300 . 1 . . . . 35 CYS CA . 11107 1 394 . 1 1 35 35 CYS CB C 13 29.487 0.300 . 1 . . . . 35 CYS CB . 11107 1 395 . 1 1 35 35 CYS N N 15 126.372 0.300 . 1 . . . . 35 CYS N . 11107 1 396 . 1 1 36 36 GLY H H 1 9.073 0.030 . 1 . . . . 36 GLY H . 11107 1 397 . 1 1 36 36 GLY HA2 H 1 3.998 0.030 . 2 . . . . 36 GLY HA2 . 11107 1 398 . 1 1 36 36 GLY HA3 H 1 3.824 0.030 . 2 . . . . 36 GLY HA3 . 11107 1 399 . 1 1 36 36 GLY C C 13 176.918 0.300 . 1 . . . . 36 GLY C . 11107 1 400 . 1 1 36 36 GLY CA C 13 47.767 0.300 . 1 . . . . 36 GLY CA . 11107 1 401 . 1 1 36 36 GLY N N 15 119.478 0.300 . 1 . . . . 36 GLY N . 11107 1 402 . 1 1 37 37 HIS H H 1 9.282 0.030 . 1 . . . . 37 HIS H . 11107 1 403 . 1 1 37 37 HIS HA H 1 4.635 0.030 . 1 . . . . 37 HIS HA . 11107 1 404 . 1 1 37 37 HIS HB2 H 1 3.370 0.030 . 2 . . . . 37 HIS HB2 . 11107 1 405 . 1 1 37 37 HIS HB3 H 1 2.965 0.030 . 2 . . . . 37 HIS HB3 . 11107 1 406 . 1 1 37 37 HIS HD2 H 1 7.287 0.030 . 1 . . . . 37 HIS HD2 . 11107 1 407 . 1 1 37 37 HIS HE1 H 1 7.846 0.030 . 1 . . . . 37 HIS HE1 . 11107 1 408 . 1 1 37 37 HIS C C 13 180.388 0.300 . 1 . . . . 37 HIS C . 11107 1 409 . 1 1 37 37 HIS CA C 13 59.121 0.300 . 1 . . . . 37 HIS CA . 11107 1 410 . 1 1 37 37 HIS CB C 13 30.938 0.300 . 1 . . . . 37 HIS CB . 11107 1 411 . 1 1 37 37 HIS CD2 C 13 119.824 0.300 . 1 . . . . 37 HIS CD2 . 11107 1 412 . 1 1 37 37 HIS CE1 C 13 139.255 0.300 . 1 . . . . 37 HIS CE1 . 11107 1 413 . 1 1 37 37 HIS N N 15 126.545 0.300 . 1 . . . . 37 HIS N . 11107 1 414 . 1 1 38 38 CYS H H 1 9.569 0.030 . 1 . . . . 38 CYS H . 11107 1 415 . 1 1 38 38 CYS HA H 1 3.865 0.030 . 1 . . . . 38 CYS HA . 11107 1 416 . 1 1 38 38 CYS HB2 H 1 3.501 0.030 . 2 . . . . 38 CYS HB2 . 11107 1 417 . 1 1 38 38 CYS HB3 H 1 2.750 0.030 . 2 . . . . 38 CYS HB3 . 11107 1 418 . 1 1 38 38 CYS C C 13 178.273 0.300 . 1 . . . . 38 CYS C . 11107 1 419 . 1 1 38 38 CYS CA C 13 64.789 0.300 . 1 . . . . 38 CYS CA . 11107 1 420 . 1 1 38 38 CYS CB C 13 28.509 0.300 . 1 . . . . 38 CYS CB . 11107 1 421 . 1 1 38 38 CYS N N 15 127.901 0.300 . 1 . . . . 38 CYS N . 11107 1 422 . 1 1 39 39 LYS H H 1 8.511 0.030 . 1 . . . . 39 LYS H . 11107 1 423 . 1 1 39 39 LYS HA H 1 3.968 0.030 . 1 . . . . 39 LYS HA . 11107 1 424 . 1 1 39 39 LYS HB2 H 1 1.934 0.030 . 1 . . . . 39 LYS HB2 . 11107 1 425 . 1 1 39 39 LYS HB3 H 1 1.934 0.030 . 1 . . . . 39 LYS HB3 . 11107 1 426 . 1 1 39 39 LYS HD2 H 1 1.669 0.030 . 1 . . . . 39 LYS HD2 . 11107 1 427 . 1 1 39 39 LYS HD3 H 1 1.669 0.030 . 1 . . . . 39 LYS HD3 . 11107 1 428 . 1 1 39 39 LYS HE2 H 1 2.961 0.030 . 1 . . . . 39 LYS HE2 . 11107 1 429 . 1 1 39 39 LYS HE3 H 1 2.961 0.030 . 1 . . . . 39 LYS HE3 . 11107 1 430 . 1 1 39 39 LYS HG2 H 1 1.564 0.030 . 2 . . . . 39 LYS HG2 . 11107 1 431 . 1 1 39 39 LYS HG3 H 1 1.394 0.030 . 2 . . . . 39 LYS HG3 . 11107 1 432 . 1 1 39 39 LYS C C 13 179.629 0.300 . 1 . . . . 39 LYS C . 11107 1 433 . 1 1 39 39 LYS CA C 13 60.233 0.300 . 1 . . . . 39 LYS CA . 11107 1 434 . 1 1 39 39 LYS CB C 13 32.322 0.300 . 1 . . . . 39 LYS CB . 11107 1 435 . 1 1 39 39 LYS CD C 13 29.314 0.300 . 1 . . . . 39 LYS CD . 11107 1 436 . 1 1 39 39 LYS CE C 13 42.155 0.300 . 1 . . . . 39 LYS CE . 11107 1 437 . 1 1 39 39 LYS CG C 13 25.260 0.300 . 1 . . . . 39 LYS CG . 11107 1 438 . 1 1 39 39 LYS N N 15 123.914 0.300 . 1 . . . . 39 LYS N . 11107 1 439 . 1 1 40 40 THR H H 1 7.913 0.030 . 1 . . . . 40 THR H . 11107 1 440 . 1 1 40 40 THR HA H 1 3.994 0.030 . 1 . . . . 40 THR HA . 11107 1 441 . 1 1 40 40 THR HB H 1 4.281 0.030 . 1 . . . . 40 THR HB . 11107 1 442 . 1 1 40 40 THR HG21 H 1 1.319 0.030 . 1 . . . . 40 THR HG2 . 11107 1 443 . 1 1 40 40 THR HG22 H 1 1.319 0.030 . 1 . . . . 40 THR HG2 . 11107 1 444 . 1 1 40 40 THR HG23 H 1 1.319 0.030 . 1 . . . . 40 THR HG2 . 11107 1 445 . 1 1 40 40 THR C C 13 175.591 0.300 . 1 . . . . 40 THR C . 11107 1 446 . 1 1 40 40 THR CA C 13 65.888 0.300 . 1 . . . . 40 THR CA . 11107 1 447 . 1 1 40 40 THR CB C 13 68.852 0.300 . 1 . . . . 40 THR CB . 11107 1 448 . 1 1 40 40 THR CG2 C 13 22.074 0.300 . 1 . . . . 40 THR CG2 . 11107 1 449 . 1 1 40 40 THR N N 15 115.028 0.300 . 1 . . . . 40 THR N . 11107 1 450 . 1 1 41 41 LEU H H 1 7.261 0.030 . 1 . . . . 41 LEU H . 11107 1 451 . 1 1 41 41 LEU HA H 1 4.485 0.030 . 1 . . . . 41 LEU HA . 11107 1 452 . 1 1 41 41 LEU HB2 H 1 1.747 0.030 . 2 . . . . 41 LEU HB2 . 11107 1 453 . 1 1 41 41 LEU HB3 H 1 1.677 0.030 . 2 . . . . 41 LEU HB3 . 11107 1 454 . 1 1 41 41 LEU HD11 H 1 1.224 0.030 . 1 . . . . 41 LEU HD1 . 11107 1 455 . 1 1 41 41 LEU HD12 H 1 1.224 0.030 . 1 . . . . 41 LEU HD1 . 11107 1 456 . 1 1 41 41 LEU HD13 H 1 1.224 0.030 . 1 . . . . 41 LEU HD1 . 11107 1 457 . 1 1 41 41 LEU HD21 H 1 0.611 0.030 . 1 . . . . 41 LEU HD2 . 11107 1 458 . 1 1 41 41 LEU HD22 H 1 0.611 0.030 . 1 . . . . 41 LEU HD2 . 11107 1 459 . 1 1 41 41 LEU HD23 H 1 0.611 0.030 . 1 . . . . 41 LEU HD2 . 11107 1 460 . 1 1 41 41 LEU HG H 1 1.634 0.030 . 1 . . . . 41 LEU HG . 11107 1 461 . 1 1 41 41 LEU C C 13 177.267 0.300 . 1 . . . . 41 LEU C . 11107 1 462 . 1 1 41 41 LEU CA C 13 55.618 0.300 . 1 . . . . 41 LEU CA . 11107 1 463 . 1 1 41 41 LEU CB C 13 42.872 0.300 . 1 . . . . 41 LEU CB . 11107 1 464 . 1 1 41 41 LEU CD1 C 13 23.983 0.300 . 2 . . . . 41 LEU CD1 . 11107 1 465 . 1 1 41 41 LEU CD2 C 13 28.112 0.300 . 2 . . . . 41 LEU CD2 . 11107 1 466 . 1 1 41 41 LEU CG C 13 27.766 0.300 . 1 . . . . 41 LEU CG . 11107 1 467 . 1 1 41 41 LEU N N 15 119.518 0.300 . 1 . . . . 41 LEU N . 11107 1 468 . 1 1 42 42 ALA H H 1 7.418 0.030 . 1 . . . . 42 ALA H . 11107 1 469 . 1 1 42 42 ALA HA H 1 3.926 0.030 . 1 . . . . 42 ALA HA . 11107 1 470 . 1 1 42 42 ALA HB1 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 11107 1 471 . 1 1 42 42 ALA HB2 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 11107 1 472 . 1 1 42 42 ALA HB3 H 1 1.528 0.030 . 1 . . . . 42 ALA HB . 11107 1 473 . 1 1 42 42 ALA C C 13 176.340 0.300 . 1 . . . . 42 ALA C . 11107 1 474 . 1 1 42 42 ALA CA C 13 57.562 0.300 . 1 . . . . 42 ALA CA . 11107 1 475 . 1 1 42 42 ALA CB C 13 15.557 0.300 . 1 . . . . 42 ALA CB . 11107 1 476 . 1 1 42 42 ALA N N 15 120.238 0.300 . 1 . . . . 42 ALA N . 11107 1 477 . 1 1 43 43 PRO HA H 1 4.497 0.030 . 1 . . . . 43 PRO HA . 11107 1 478 . 1 1 43 43 PRO HB2 H 1 2.353 0.030 . 2 . . . . 43 PRO HB2 . 11107 1 479 . 1 1 43 43 PRO HB3 H 1 2.001 0.030 . 2 . . . . 43 PRO HB3 . 11107 1 480 . 1 1 43 43 PRO HD2 H 1 3.971 0.030 . 2 . . . . 43 PRO HD2 . 11107 1 481 . 1 1 43 43 PRO HD3 H 1 3.721 0.030 . 2 . . . . 43 PRO HD3 . 11107 1 482 . 1 1 43 43 PRO HG2 H 1 2.094 0.030 . 1 . . . . 43 PRO HG2 . 11107 1 483 . 1 1 43 43 PRO HG3 H 1 2.094 0.030 . 1 . . . . 43 PRO HG3 . 11107 1 484 . 1 1 43 43 PRO C C 13 179.714 0.300 . 1 . . . . 43 PRO C . 11107 1 485 . 1 1 43 43 PRO CA C 13 65.834 0.300 . 1 . . . . 43 PRO CA . 11107 1 486 . 1 1 43 43 PRO CB C 13 30.805 0.300 . 1 . . . . 43 PRO CB . 11107 1 487 . 1 1 43 43 PRO CD C 13 50.076 0.300 . 1 . . . . 43 PRO CD . 11107 1 488 . 1 1 43 43 PRO CG C 13 28.420 0.300 . 1 . . . . 43 PRO CG . 11107 1 489 . 1 1 44 44 THR H H 1 7.222 0.030 . 1 . . . . 44 THR H . 11107 1 490 . 1 1 44 44 THR HA H 1 4.053 0.030 . 1 . . . . 44 THR HA . 11107 1 491 . 1 1 44 44 THR HB H 1 4.446 0.030 . 1 . . . . 44 THR HB . 11107 1 492 . 1 1 44 44 THR HG21 H 1 1.377 0.030 . 1 . . . . 44 THR HG2 . 11107 1 493 . 1 1 44 44 THR HG22 H 1 1.377 0.030 . 1 . . . . 44 THR HG2 . 11107 1 494 . 1 1 44 44 THR HG23 H 1 1.377 0.030 . 1 . . . . 44 THR HG2 . 11107 1 495 . 1 1 44 44 THR C C 13 175.433 0.300 . 1 . . . . 44 THR C . 11107 1 496 . 1 1 44 44 THR CA C 13 65.970 0.300 . 1 . . . . 44 THR CA . 11107 1 497 . 1 1 44 44 THR CB C 13 68.725 0.300 . 1 . . . . 44 THR CB . 11107 1 498 . 1 1 44 44 THR CG2 C 13 22.708 0.300 . 1 . . . . 44 THR CG2 . 11107 1 499 . 1 1 44 44 THR N N 15 117.872 0.300 . 1 . . . . 44 THR N . 11107 1 500 . 1 1 45 45 TRP H H 1 8.495 0.030 . 1 . . . . 45 TRP H . 11107 1 501 . 1 1 45 45 TRP HA H 1 4.016 0.030 . 1 . . . . 45 TRP HA . 11107 1 502 . 1 1 45 45 TRP HB2 H 1 3.624 0.030 . 2 . . . . 45 TRP HB2 . 11107 1 503 . 1 1 45 45 TRP HB3 H 1 2.798 0.030 . 2 . . . . 45 TRP HB3 . 11107 1 504 . 1 1 45 45 TRP HD1 H 1 6.903 0.030 . 1 . . . . 45 TRP HD1 . 11107 1 505 . 1 1 45 45 TRP HE1 H 1 8.954 0.030 . 1 . . . . 45 TRP HE1 . 11107 1 506 . 1 1 45 45 TRP HE3 H 1 7.011 0.030 . 1 . . . . 45 TRP HE3 . 11107 1 507 . 1 1 45 45 TRP HH2 H 1 6.387 0.030 . 1 . . . . 45 TRP HH2 . 11107 1 508 . 1 1 45 45 TRP HZ2 H 1 7.347 0.030 . 1 . . . . 45 TRP HZ2 . 11107 1 509 . 1 1 45 45 TRP HZ3 H 1 6.387 0.030 . 1 . . . . 45 TRP HZ3 . 11107 1 510 . 1 1 45 45 TRP C C 13 177.008 0.300 . 1 . . . . 45 TRP C . 11107 1 511 . 1 1 45 45 TRP CA C 13 60.027 0.300 . 1 . . . . 45 TRP CA . 11107 1 512 . 1 1 45 45 TRP CB C 13 29.385 0.300 . 1 . . . . 45 TRP CB . 11107 1 513 . 1 1 45 45 TRP CD1 C 13 124.355 0.300 . 1 . . . . 45 TRP CD1 . 11107 1 514 . 1 1 45 45 TRP CE3 C 13 117.788 0.300 . 1 . . . . 45 TRP CE3 . 11107 1 515 . 1 1 45 45 TRP CH2 C 13 122.708 0.300 . 1 . . . . 45 TRP CH2 . 11107 1 516 . 1 1 45 45 TRP CZ2 C 13 116.356 0.300 . 1 . . . . 45 TRP CZ2 . 11107 1 517 . 1 1 45 45 TRP CZ3 C 13 122.708 0.300 . 1 . . . . 45 TRP CZ3 . 11107 1 518 . 1 1 45 45 TRP N N 15 124.419 0.300 . 1 . . . . 45 TRP N . 11107 1 519 . 1 1 45 45 TRP NE1 N 15 127.215 0.300 . 1 . . . . 45 TRP NE1 . 11107 1 520 . 1 1 46 46 GLU H H 1 7.725 0.030 . 1 . . . . 46 GLU H . 11107 1 521 . 1 1 46 46 GLU HA H 1 3.789 0.030 . 1 . . . . 46 GLU HA . 11107 1 522 . 1 1 46 46 GLU HB2 H 1 2.126 0.030 . 2 . . . . 46 GLU HB2 . 11107 1 523 . 1 1 46 46 GLU HB3 H 1 2.055 0.030 . 2 . . . . 46 GLU HB3 . 11107 1 524 . 1 1 46 46 GLU HG2 H 1 2.303 0.030 . 2 . . . . 46 GLU HG2 . 11107 1 525 . 1 1 46 46 GLU HG3 H 1 2.162 0.030 . 2 . . . . 46 GLU HG3 . 11107 1 526 . 1 1 46 46 GLU C C 13 180.764 0.300 . 1 . . . . 46 GLU C . 11107 1 527 . 1 1 46 46 GLU CA C 13 59.406 0.300 . 1 . . . . 46 GLU CA . 11107 1 528 . 1 1 46 46 GLU CB C 13 29.249 0.300 . 1 . . . . 46 GLU CB . 11107 1 529 . 1 1 46 46 GLU CG C 13 36.432 0.300 . 1 . . . . 46 GLU CG . 11107 1 530 . 1 1 46 46 GLU N N 15 115.212 0.300 . 1 . . . . 46 GLU N . 11107 1 531 . 1 1 47 47 GLU H H 1 7.985 0.030 . 1 . . . . 47 GLU H . 11107 1 532 . 1 1 47 47 GLU HA H 1 3.851 0.030 . 1 . . . . 47 GLU HA . 11107 1 533 . 1 1 47 47 GLU HB2 H 1 2.276 0.030 . 2 . . . . 47 GLU HB2 . 11107 1 534 . 1 1 47 47 GLU HB3 H 1 2.035 0.030 . 2 . . . . 47 GLU HB3 . 11107 1 535 . 1 1 47 47 GLU HG2 H 1 2.388 0.030 . 2 . . . . 47 GLU HG2 . 11107 1 536 . 1 1 47 47 GLU HG3 H 1 2.270 0.030 . 2 . . . . 47 GLU HG3 . 11107 1 537 . 1 1 47 47 GLU C C 13 180.002 0.300 . 1 . . . . 47 GLU C . 11107 1 538 . 1 1 47 47 GLU CA C 13 59.822 0.300 . 1 . . . . 47 GLU CA . 11107 1 539 . 1 1 47 47 GLU CB C 13 29.361 0.300 . 1 . . . . 47 GLU CB . 11107 1 540 . 1 1 47 47 GLU CG C 13 36.471 0.300 . 1 . . . . 47 GLU CG . 11107 1 541 . 1 1 47 47 GLU N N 15 121.432 0.300 . 1 . . . . 47 GLU N . 11107 1 542 . 1 1 48 48 LEU H H 1 8.356 0.030 . 1 . . . . 48 LEU H . 11107 1 543 . 1 1 48 48 LEU HA H 1 3.775 0.030 . 1 . . . . 48 LEU HA . 11107 1 544 . 1 1 48 48 LEU HB2 H 1 1.925 0.030 . 2 . . . . 48 LEU HB2 . 11107 1 545 . 1 1 48 48 LEU HB3 H 1 1.123 0.030 . 2 . . . . 48 LEU HB3 . 11107 1 546 . 1 1 48 48 LEU HD11 H 1 0.992 0.030 . 1 . . . . 48 LEU HD1 . 11107 1 547 . 1 1 48 48 LEU HD12 H 1 0.992 0.030 . 1 . . . . 48 LEU HD1 . 11107 1 548 . 1 1 48 48 LEU HD13 H 1 0.992 0.030 . 1 . . . . 48 LEU HD1 . 11107 1 549 . 1 1 48 48 LEU HD21 H 1 0.313 0.030 . 1 . . . . 48 LEU HD2 . 11107 1 550 . 1 1 48 48 LEU HD22 H 1 0.313 0.030 . 1 . . . . 48 LEU HD2 . 11107 1 551 . 1 1 48 48 LEU HD23 H 1 0.313 0.030 . 1 . . . . 48 LEU HD2 . 11107 1 552 . 1 1 48 48 LEU HG H 1 1.434 0.030 . 1 . . . . 48 LEU HG . 11107 1 553 . 1 1 48 48 LEU C C 13 177.739 0.300 . 1 . . . . 48 LEU C . 11107 1 554 . 1 1 48 48 LEU CA C 13 57.888 0.300 . 1 . . . . 48 LEU CA . 11107 1 555 . 1 1 48 48 LEU CB C 13 40.880 0.300 . 1 . . . . 48 LEU CB . 11107 1 556 . 1 1 48 48 LEU CD1 C 13 22.929 0.300 . 2 . . . . 48 LEU CD1 . 11107 1 557 . 1 1 48 48 LEU CD2 C 13 27.550 0.300 . 2 . . . . 48 LEU CD2 . 11107 1 558 . 1 1 48 48 LEU CG C 13 26.724 0.300 . 1 . . . . 48 LEU CG . 11107 1 559 . 1 1 48 48 LEU N N 15 122.651 0.300 . 1 . . . . 48 LEU N . 11107 1 560 . 1 1 49 49 SER H H 1 7.245 0.030 . 1 . . . . 49 SER H . 11107 1 561 . 1 1 49 49 SER HA H 1 4.001 0.030 . 1 . . . . 49 SER HA . 11107 1 562 . 1 1 49 49 SER HB2 H 1 3.511 0.030 . 2 . . . . 49 SER HB2 . 11107 1 563 . 1 1 49 49 SER HB3 H 1 3.788 0.030 . 2 . . . . 49 SER HB3 . 11107 1 564 . 1 1 49 49 SER C C 13 174.318 0.300 . 1 . . . . 49 SER C . 11107 1 565 . 1 1 49 49 SER CA C 13 61.008 0.300 . 1 . . . . 49 SER CA . 11107 1 566 . 1 1 49 49 SER CB C 13 63.499 0.300 . 1 . . . . 49 SER CB . 11107 1 567 . 1 1 49 49 SER N N 15 111.137 0.300 . 1 . . . . 49 SER N . 11107 1 568 . 1 1 50 50 LYS H H 1 7.256 0.030 . 1 . . . . 50 LYS H . 11107 1 569 . 1 1 50 50 LYS HA H 1 4.417 0.030 . 1 . . . . 50 LYS HA . 11107 1 570 . 1 1 50 50 LYS HB2 H 1 2.056 0.030 . 2 . . . . 50 LYS HB2 . 11107 1 571 . 1 1 50 50 LYS HB3 H 1 1.668 0.030 . 2 . . . . 50 LYS HB3 . 11107 1 572 . 1 1 50 50 LYS HD2 H 1 1.647 0.030 . 2 . . . . 50 LYS HD2 . 11107 1 573 . 1 1 50 50 LYS HD3 H 1 1.554 0.030 . 2 . . . . 50 LYS HD3 . 11107 1 574 . 1 1 50 50 LYS HE2 H 1 2.865 0.030 . 1 . . . . 50 LYS HE2 . 11107 1 575 . 1 1 50 50 LYS HE3 H 1 2.865 0.030 . 1 . . . . 50 LYS HE3 . 11107 1 576 . 1 1 50 50 LYS HG2 H 1 1.478 0.030 . 2 . . . . 50 LYS HG2 . 11107 1 577 . 1 1 50 50 LYS HG3 H 1 1.366 0.030 . 2 . . . . 50 LYS HG3 . 11107 1 578 . 1 1 50 50 LYS C C 13 177.066 0.300 . 1 . . . . 50 LYS C . 11107 1 579 . 1 1 50 50 LYS CA C 13 55.855 0.300 . 1 . . . . 50 LYS CA . 11107 1 580 . 1 1 50 50 LYS CB C 13 33.215 0.300 . 1 . . . . 50 LYS CB . 11107 1 581 . 1 1 50 50 LYS CD C 13 29.285 0.300 . 1 . . . . 50 LYS CD . 11107 1 582 . 1 1 50 50 LYS CE C 13 42.434 0.300 . 1 . . . . 50 LYS CE . 11107 1 583 . 1 1 50 50 LYS CG C 13 25.296 0.300 . 1 . . . . 50 LYS CG . 11107 1 584 . 1 1 50 50 LYS N N 15 120.314 0.300 . 1 . . . . 50 LYS N . 11107 1 585 . 1 1 51 51 LYS H H 1 7.288 0.030 . 1 . . . . 51 LYS H . 11107 1 586 . 1 1 51 51 LYS HA H 1 4.015 0.030 . 1 . . . . 51 LYS HA . 11107 1 587 . 1 1 51 51 LYS HB2 H 1 1.666 0.030 . 2 . . . . 51 LYS HB2 . 11107 1 588 . 1 1 51 51 LYS HB3 H 1 1.117 0.030 . 2 . . . . 51 LYS HB3 . 11107 1 589 . 1 1 51 51 LYS HD2 H 1 1.351 0.030 . 2 . . . . 51 LYS HD2 . 11107 1 590 . 1 1 51 51 LYS HD3 H 1 1.195 0.030 . 2 . . . . 51 LYS HD3 . 11107 1 591 . 1 1 51 51 LYS HE2 H 1 2.261 0.030 . 2 . . . . 51 LYS HE2 . 11107 1 592 . 1 1 51 51 LYS HE3 H 1 2.185 0.030 . 2 . . . . 51 LYS HE3 . 11107 1 593 . 1 1 51 51 LYS HG2 H 1 1.553 0.030 . 2 . . . . 51 LYS HG2 . 11107 1 594 . 1 1 51 51 LYS HG3 H 1 0.960 0.030 . 2 . . . . 51 LYS HG3 . 11107 1 595 . 1 1 51 51 LYS C C 13 175.166 0.300 . 1 . . . . 51 LYS C . 11107 1 596 . 1 1 51 51 LYS CA C 13 54.692 0.300 . 1 . . . . 51 LYS CA . 11107 1 597 . 1 1 51 51 LYS CB C 13 31.990 0.300 . 1 . . . . 51 LYS CB . 11107 1 598 . 1 1 51 51 LYS CD C 13 27.658 0.300 . 1 . . . . 51 LYS CD . 11107 1 599 . 1 1 51 51 LYS CE C 13 41.146 0.300 . 1 . . . . 51 LYS CE . 11107 1 600 . 1 1 51 51 LYS CG C 13 24.477 0.300 . 1 . . . . 51 LYS CG . 11107 1 601 . 1 1 51 51 LYS N N 15 119.897 0.300 . 1 . . . . 51 LYS N . 11107 1 602 . 1 1 52 52 GLU H H 1 7.992 0.030 . 1 . . . . 52 GLU H . 11107 1 603 . 1 1 52 52 GLU HA H 1 4.346 0.030 . 1 . . . . 52 GLU HA . 11107 1 604 . 1 1 52 52 GLU HB2 H 1 1.931 0.030 . 2 . . . . 52 GLU HB2 . 11107 1 605 . 1 1 52 52 GLU HB3 H 1 1.848 0.030 . 2 . . . . 52 GLU HB3 . 11107 1 606 . 1 1 52 52 GLU HG2 H 1 2.292 0.030 . 2 . . . . 52 GLU HG2 . 11107 1 607 . 1 1 52 52 GLU HG3 H 1 2.163 0.030 . 2 . . . . 52 GLU HG3 . 11107 1 608 . 1 1 52 52 GLU C C 13 176.459 0.300 . 1 . . . . 52 GLU C . 11107 1 609 . 1 1 52 52 GLU CA C 13 55.601 0.300 . 1 . . . . 52 GLU CA . 11107 1 610 . 1 1 52 52 GLU CB C 13 31.028 0.300 . 1 . . . . 52 GLU CB . 11107 1 611 . 1 1 52 52 GLU CG C 13 36.444 0.300 . 1 . . . . 52 GLU CG . 11107 1 612 . 1 1 52 52 GLU N N 15 117.548 0.300 . 1 . . . . 52 GLU N . 11107 1 613 . 1 1 53 53 PHE H H 1 9.106 0.030 . 1 . . . . 53 PHE H . 11107 1 614 . 1 1 53 53 PHE HA H 1 4.772 0.030 . 1 . . . . 53 PHE HA . 11107 1 615 . 1 1 53 53 PHE HB2 H 1 2.994 0.030 . 2 . . . . 53 PHE HB2 . 11107 1 616 . 1 1 53 53 PHE HB3 H 1 2.673 0.030 . 2 . . . . 53 PHE HB3 . 11107 1 617 . 1 1 53 53 PHE HD1 H 1 6.990 0.030 . 1 . . . . 53 PHE HD1 . 11107 1 618 . 1 1 53 53 PHE HD2 H 1 6.990 0.030 . 1 . . . . 53 PHE HD2 . 11107 1 619 . 1 1 53 53 PHE HE1 H 1 7.173 0.030 . 1 . . . . 53 PHE HE1 . 11107 1 620 . 1 1 53 53 PHE HE2 H 1 7.173 0.030 . 1 . . . . 53 PHE HE2 . 11107 1 621 . 1 1 53 53 PHE HZ H 1 7.016 0.030 . 1 . . . . 53 PHE HZ . 11107 1 622 . 1 1 53 53 PHE C C 13 172.063 0.300 . 1 . . . . 53 PHE C . 11107 1 623 . 1 1 53 53 PHE CA C 13 55.633 0.300 . 1 . . . . 53 PHE CA . 11107 1 624 . 1 1 53 53 PHE CB C 13 39.839 0.300 . 1 . . . . 53 PHE CB . 11107 1 625 . 1 1 53 53 PHE CD1 C 13 132.181 0.300 . 1 . . . . 53 PHE CD1 . 11107 1 626 . 1 1 53 53 PHE CD2 C 13 132.181 0.300 . 1 . . . . 53 PHE CD2 . 11107 1 627 . 1 1 53 53 PHE CE1 C 13 131.498 0.300 . 1 . . . . 53 PHE CE1 . 11107 1 628 . 1 1 53 53 PHE CE2 C 13 131.498 0.300 . 1 . . . . 53 PHE CE2 . 11107 1 629 . 1 1 53 53 PHE CZ C 13 128.744 0.300 . 1 . . . . 53 PHE CZ . 11107 1 630 . 1 1 53 53 PHE N N 15 123.088 0.300 . 1 . . . . 53 PHE N . 11107 1 631 . 1 1 54 54 PRO HA H 1 4.291 0.030 . 1 . . . . 54 PRO HA . 11107 1 632 . 1 1 54 54 PRO HB2 H 1 2.264 0.030 . 2 . . . . 54 PRO HB2 . 11107 1 633 . 1 1 54 54 PRO HB3 H 1 1.898 0.030 . 2 . . . . 54 PRO HB3 . 11107 1 634 . 1 1 54 54 PRO HD2 H 1 3.618 0.030 . 2 . . . . 54 PRO HD2 . 11107 1 635 . 1 1 54 54 PRO HD3 H 1 3.551 0.030 . 2 . . . . 54 PRO HD3 . 11107 1 636 . 1 1 54 54 PRO HG2 H 1 2.083 0.030 . 2 . . . . 54 PRO HG2 . 11107 1 637 . 1 1 54 54 PRO HG3 H 1 1.928 0.030 . 2 . . . . 54 PRO HG3 . 11107 1 638 . 1 1 54 54 PRO C C 13 177.429 0.300 . 1 . . . . 54 PRO C . 11107 1 639 . 1 1 54 54 PRO CA C 13 63.970 0.300 . 1 . . . . 54 PRO CA . 11107 1 640 . 1 1 54 54 PRO CB C 13 31.583 0.300 . 1 . . . . 54 PRO CB . 11107 1 641 . 1 1 54 54 PRO CD C 13 50.743 0.300 . 1 . . . . 54 PRO CD . 11107 1 642 . 1 1 54 54 PRO CG C 13 27.724 0.300 . 1 . . . . 54 PRO CG . 11107 1 643 . 1 1 55 55 GLY H H 1 8.648 0.030 . 1 . . . . 55 GLY H . 11107 1 644 . 1 1 55 55 GLY HA2 H 1 4.120 0.030 . 2 . . . . 55 GLY HA2 . 11107 1 645 . 1 1 55 55 GLY HA3 H 1 3.661 0.030 . 2 . . . . 55 GLY HA3 . 11107 1 646 . 1 1 55 55 GLY C C 13 173.891 0.300 . 1 . . . . 55 GLY C . 11107 1 647 . 1 1 55 55 GLY CA C 13 45.386 0.300 . 1 . . . . 55 GLY CA . 11107 1 648 . 1 1 55 55 GLY N N 15 110.894 0.300 . 1 . . . . 55 GLY N . 11107 1 649 . 1 1 56 56 LEU H H 1 7.869 0.030 . 1 . . . . 56 LEU H . 11107 1 650 . 1 1 56 56 LEU HA H 1 4.637 0.030 . 1 . . . . 56 LEU HA . 11107 1 651 . 1 1 56 56 LEU HB2 H 1 1.579 0.030 . 2 . . . . 56 LEU HB2 . 11107 1 652 . 1 1 56 56 LEU HB3 H 1 1.200 0.030 . 2 . . . . 56 LEU HB3 . 11107 1 653 . 1 1 56 56 LEU HD11 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 11107 1 654 . 1 1 56 56 LEU HD12 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 11107 1 655 . 1 1 56 56 LEU HD13 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 11107 1 656 . 1 1 56 56 LEU HD21 H 1 0.684 0.030 . 1 . . . . 56 LEU HD2 . 11107 1 657 . 1 1 56 56 LEU HD22 H 1 0.684 0.030 . 1 . . . . 56 LEU HD2 . 11107 1 658 . 1 1 56 56 LEU HD23 H 1 0.684 0.030 . 1 . . . . 56 LEU HD2 . 11107 1 659 . 1 1 56 56 LEU HG H 1 1.395 0.030 . 1 . . . . 56 LEU HG . 11107 1 660 . 1 1 56 56 LEU C C 13 175.561 0.300 . 1 . . . . 56 LEU C . 11107 1 661 . 1 1 56 56 LEU CA C 13 53.486 0.300 . 1 . . . . 56 LEU CA . 11107 1 662 . 1 1 56 56 LEU CB C 13 44.125 0.300 . 1 . . . . 56 LEU CB . 11107 1 663 . 1 1 56 56 LEU CD1 C 13 26.358 0.300 . 2 . . . . 56 LEU CD1 . 11107 1 664 . 1 1 56 56 LEU CD2 C 13 23.996 0.300 . 2 . . . . 56 LEU CD2 . 11107 1 665 . 1 1 56 56 LEU CG C 13 26.742 0.300 . 1 . . . . 56 LEU CG . 11107 1 666 . 1 1 56 56 LEU N N 15 120.734 0.300 . 1 . . . . 56 LEU N . 11107 1 667 . 1 1 57 57 ALA H H 1 8.317 0.030 . 1 . . . . 57 ALA H . 11107 1 668 . 1 1 57 57 ALA HA H 1 4.508 0.030 . 1 . . . . 57 ALA HA . 11107 1 669 . 1 1 57 57 ALA HB1 H 1 1.351 0.030 . 1 . . . . 57 ALA HB . 11107 1 670 . 1 1 57 57 ALA HB2 H 1 1.351 0.030 . 1 . . . . 57 ALA HB . 11107 1 671 . 1 1 57 57 ALA HB3 H 1 1.351 0.030 . 1 . . . . 57 ALA HB . 11107 1 672 . 1 1 57 57 ALA C C 13 178.097 0.300 . 1 . . . . 57 ALA C . 11107 1 673 . 1 1 57 57 ALA CA C 13 51.778 0.300 . 1 . . . . 57 ALA CA . 11107 1 674 . 1 1 57 57 ALA CB C 13 20.049 0.300 . 1 . . . . 57 ALA CB . 11107 1 675 . 1 1 57 57 ALA N N 15 124.515 0.300 . 1 . . . . 57 ALA N . 11107 1 676 . 1 1 58 58 GLY H H 1 8.407 0.030 . 1 . . . . 58 GLY H . 11107 1 677 . 1 1 58 58 GLY HA2 H 1 3.822 0.030 . 1 . . . . 58 GLY HA2 . 11107 1 678 . 1 1 58 58 GLY HA3 H 1 3.822 0.030 . 1 . . . . 58 GLY HA3 . 11107 1 679 . 1 1 58 58 GLY C C 13 174.825 0.300 . 1 . . . . 58 GLY C . 11107 1 680 . 1 1 58 58 GLY CA C 13 47.229 0.300 . 1 . . . . 58 GLY CA . 11107 1 681 . 1 1 58 58 GLY N N 15 108.573 0.300 . 1 . . . . 58 GLY N . 11107 1 682 . 1 1 59 59 VAL H H 1 8.169 0.030 . 1 . . . . 59 VAL H . 11107 1 683 . 1 1 59 59 VAL HA H 1 3.982 0.030 . 1 . . . . 59 VAL HA . 11107 1 684 . 1 1 59 59 VAL HB H 1 1.556 0.030 . 1 . . . . 59 VAL HB . 11107 1 685 . 1 1 59 59 VAL HG11 H 1 -0.143 0.030 . 1 . . . . 59 VAL HG1 . 11107 1 686 . 1 1 59 59 VAL HG12 H 1 -0.143 0.030 . 1 . . . . 59 VAL HG1 . 11107 1 687 . 1 1 59 59 VAL HG13 H 1 -0.143 0.030 . 1 . . . . 59 VAL HG1 . 11107 1 688 . 1 1 59 59 VAL HG21 H 1 0.408 0.030 . 1 . . . . 59 VAL HG2 . 11107 1 689 . 1 1 59 59 VAL HG22 H 1 0.408 0.030 . 1 . . . . 59 VAL HG2 . 11107 1 690 . 1 1 59 59 VAL HG23 H 1 0.408 0.030 . 1 . . . . 59 VAL HG2 . 11107 1 691 . 1 1 59 59 VAL C C 13 176.027 0.300 . 1 . . . . 59 VAL C . 11107 1 692 . 1 1 59 59 VAL CA C 13 63.613 0.300 . 1 . . . . 59 VAL CA . 11107 1 693 . 1 1 59 59 VAL CB C 13 31.746 0.300 . 1 . . . . 59 VAL CB . 11107 1 694 . 1 1 59 59 VAL CG1 C 13 20.644 0.300 . 2 . . . . 59 VAL CG1 . 11107 1 695 . 1 1 59 59 VAL CG2 C 13 22.646 0.300 . 2 . . . . 59 VAL CG2 . 11107 1 696 . 1 1 59 59 VAL N N 15 121.325 0.300 . 1 . . . . 59 VAL N . 11107 1 697 . 1 1 60 60 LYS H H 1 8.795 0.030 . 1 . . . . 60 LYS H . 11107 1 698 . 1 1 60 60 LYS HA H 1 4.468 0.030 . 1 . . . . 60 LYS HA . 11107 1 699 . 1 1 60 60 LYS HB2 H 1 1.853 0.030 . 2 . . . . 60 LYS HB2 . 11107 1 700 . 1 1 60 60 LYS HB3 H 1 1.429 0.030 . 2 . . . . 60 LYS HB3 . 11107 1 701 . 1 1 60 60 LYS HD2 H 1 1.769 0.030 . 2 . . . . 60 LYS HD2 . 11107 1 702 . 1 1 60 60 LYS HD3 H 1 1.279 0.030 . 2 . . . . 60 LYS HD3 . 11107 1 703 . 1 1 60 60 LYS HE2 H 1 3.195 0.030 . 2 . . . . 60 LYS HE2 . 11107 1 704 . 1 1 60 60 LYS HE3 H 1 2.970 0.030 . 2 . . . . 60 LYS HE3 . 11107 1 705 . 1 1 60 60 LYS HG2 H 1 1.594 0.030 . 2 . . . . 60 LYS HG2 . 11107 1 706 . 1 1 60 60 LYS HG3 H 1 1.291 0.030 . 2 . . . . 60 LYS HG3 . 11107 1 707 . 1 1 60 60 LYS C C 13 173.349 0.300 . 1 . . . . 60 LYS C . 11107 1 708 . 1 1 60 60 LYS CA C 13 55.346 0.300 . 1 . . . . 60 LYS CA . 11107 1 709 . 1 1 60 60 LYS CB C 13 34.585 0.300 . 1 . . . . 60 LYS CB . 11107 1 710 . 1 1 60 60 LYS CD C 13 28.352 0.300 . 1 . . . . 60 LYS CD . 11107 1 711 . 1 1 60 60 LYS CE C 13 41.010 0.300 . 1 . . . . 60 LYS CE . 11107 1 712 . 1 1 60 60 LYS CG C 13 24.100 0.300 . 1 . . . . 60 LYS CG . 11107 1 713 . 1 1 60 60 LYS N N 15 128.973 0.300 . 1 . . . . 60 LYS N . 11107 1 714 . 1 1 61 61 ILE H H 1 9.111 0.030 . 1 . . . . 61 ILE H . 11107 1 715 . 1 1 61 61 ILE HA H 1 4.759 0.030 . 1 . . . . 61 ILE HA . 11107 1 716 . 1 1 61 61 ILE HB H 1 1.784 0.030 . 1 . . . . 61 ILE HB . 11107 1 717 . 1 1 61 61 ILE HD11 H 1 0.570 0.030 . 1 . . . . 61 ILE HD1 . 11107 1 718 . 1 1 61 61 ILE HD12 H 1 0.570 0.030 . 1 . . . . 61 ILE HD1 . 11107 1 719 . 1 1 61 61 ILE HD13 H 1 0.570 0.030 . 1 . . . . 61 ILE HD1 . 11107 1 720 . 1 1 61 61 ILE HG12 H 1 1.628 0.030 . 2 . . . . 61 ILE HG12 . 11107 1 721 . 1 1 61 61 ILE HG13 H 1 0.808 0.030 . 2 . . . . 61 ILE HG13 . 11107 1 722 . 1 1 61 61 ILE HG21 H 1 0.175 0.030 . 1 . . . . 61 ILE HG2 . 11107 1 723 . 1 1 61 61 ILE HG22 H 1 0.175 0.030 . 1 . . . . 61 ILE HG2 . 11107 1 724 . 1 1 61 61 ILE HG23 H 1 0.175 0.030 . 1 . . . . 61 ILE HG2 . 11107 1 725 . 1 1 61 61 ILE C C 13 175.277 0.300 . 1 . . . . 61 ILE C . 11107 1 726 . 1 1 61 61 ILE CA C 13 58.131 0.300 . 1 . . . . 61 ILE CA . 11107 1 727 . 1 1 61 61 ILE CB C 13 35.756 0.300 . 1 . . . . 61 ILE CB . 11107 1 728 . 1 1 61 61 ILE CD1 C 13 9.730 0.300 . 1 . . . . 61 ILE CD1 . 11107 1 729 . 1 1 61 61 ILE CG1 C 13 26.874 0.300 . 1 . . . . 61 ILE CG1 . 11107 1 730 . 1 1 61 61 ILE CG2 C 13 16.888 0.300 . 1 . . . . 61 ILE CG2 . 11107 1 731 . 1 1 61 61 ILE N N 15 124.975 0.300 . 1 . . . . 61 ILE N . 11107 1 732 . 1 1 62 62 ALA H H 1 9.147 0.030 . 1 . . . . 62 ALA H . 11107 1 733 . 1 1 62 62 ALA HA H 1 5.763 0.030 . 1 . . . . 62 ALA HA . 11107 1 734 . 1 1 62 62 ALA HB1 H 1 1.255 0.030 . 1 . . . . 62 ALA HB . 11107 1 735 . 1 1 62 62 ALA HB2 H 1 1.255 0.030 . 1 . . . . 62 ALA HB . 11107 1 736 . 1 1 62 62 ALA HB3 H 1 1.255 0.030 . 1 . . . . 62 ALA HB . 11107 1 737 . 1 1 62 62 ALA C C 13 176.985 0.300 . 1 . . . . 62 ALA C . 11107 1 738 . 1 1 62 62 ALA CA C 13 50.701 0.300 . 1 . . . . 62 ALA CA . 11107 1 739 . 1 1 62 62 ALA CB C 13 25.560 0.300 . 1 . . . . 62 ALA CB . 11107 1 740 . 1 1 62 62 ALA N N 15 128.091 0.300 . 1 . . . . 62 ALA N . 11107 1 741 . 1 1 63 63 GLU H H 1 9.212 0.030 . 1 . . . . 63 GLU H . 11107 1 742 . 1 1 63 63 GLU HA H 1 5.208 0.030 . 1 . . . . 63 GLU HA . 11107 1 743 . 1 1 63 63 GLU HB2 H 1 2.018 0.030 . 2 . . . . 63 GLU HB2 . 11107 1 744 . 1 1 63 63 GLU HB3 H 1 2.186 0.030 . 2 . . . . 63 GLU HB3 . 11107 1 745 . 1 1 63 63 GLU HG2 H 1 2.361 0.030 . 2 . . . . 63 GLU HG2 . 11107 1 746 . 1 1 63 63 GLU HG3 H 1 1.707 0.030 . 2 . . . . 63 GLU HG3 . 11107 1 747 . 1 1 63 63 GLU C C 13 172.497 0.300 . 1 . . . . 63 GLU C . 11107 1 748 . 1 1 63 63 GLU CA C 13 54.768 0.300 . 1 . . . . 63 GLU CA . 11107 1 749 . 1 1 63 63 GLU CB C 13 33.768 0.300 . 1 . . . . 63 GLU CB . 11107 1 750 . 1 1 63 63 GLU CG C 13 33.773 0.300 . 1 . . . . 63 GLU CG . 11107 1 751 . 1 1 63 63 GLU N N 15 119.303 0.300 . 1 . . . . 63 GLU N . 11107 1 752 . 1 1 64 64 VAL H H 1 8.371 0.030 . 1 . . . . 64 VAL H . 11107 1 753 . 1 1 64 64 VAL HA H 1 4.244 0.030 . 1 . . . . 64 VAL HA . 11107 1 754 . 1 1 64 64 VAL HB H 1 1.350 0.030 . 1 . . . . 64 VAL HB . 11107 1 755 . 1 1 64 64 VAL HG11 H 1 0.685 0.030 . 1 . . . . 64 VAL HG1 . 11107 1 756 . 1 1 64 64 VAL HG12 H 1 0.685 0.030 . 1 . . . . 64 VAL HG1 . 11107 1 757 . 1 1 64 64 VAL HG13 H 1 0.685 0.030 . 1 . . . . 64 VAL HG1 . 11107 1 758 . 1 1 64 64 VAL HG21 H 1 0.673 0.030 . 1 . . . . 64 VAL HG2 . 11107 1 759 . 1 1 64 64 VAL HG22 H 1 0.673 0.030 . 1 . . . . 64 VAL HG2 . 11107 1 760 . 1 1 64 64 VAL HG23 H 1 0.673 0.030 . 1 . . . . 64 VAL HG2 . 11107 1 761 . 1 1 64 64 VAL C C 13 172.545 0.300 . 1 . . . . 64 VAL C . 11107 1 762 . 1 1 64 64 VAL CA C 13 61.149 0.300 . 1 . . . . 64 VAL CA . 11107 1 763 . 1 1 64 64 VAL CB C 13 36.726 0.300 . 1 . . . . 64 VAL CB . 11107 1 764 . 1 1 64 64 VAL CG1 C 13 22.074 0.300 . 2 . . . . 64 VAL CG1 . 11107 1 765 . 1 1 64 64 VAL CG2 C 13 22.557 0.300 . 2 . . . . 64 VAL CG2 . 11107 1 766 . 1 1 64 64 VAL N N 15 119.499 0.300 . 1 . . . . 64 VAL N . 11107 1 767 . 1 1 65 65 ASP H H 1 8.618 0.030 . 1 . . . . 65 ASP H . 11107 1 768 . 1 1 65 65 ASP HA H 1 3.213 0.030 . 1 . . . . 65 ASP HA . 11107 1 769 . 1 1 65 65 ASP HB2 H 1 2.786 0.030 . 2 . . . . 65 ASP HB2 . 11107 1 770 . 1 1 65 65 ASP HB3 H 1 2.410 0.030 . 2 . . . . 65 ASP HB3 . 11107 1 771 . 1 1 65 65 ASP C C 13 177.223 0.300 . 1 . . . . 65 ASP C . 11107 1 772 . 1 1 65 65 ASP CA C 13 51.545 0.300 . 1 . . . . 65 ASP CA . 11107 1 773 . 1 1 65 65 ASP CB C 13 39.432 0.300 . 1 . . . . 65 ASP CB . 11107 1 774 . 1 1 65 65 ASP N N 15 126.202 0.300 . 1 . . . . 65 ASP N . 11107 1 775 . 1 1 66 66 CYS H H 1 8.850 0.030 . 1 . . . . 66 CYS H . 11107 1 776 . 1 1 66 66 CYS HA H 1 4.597 0.030 . 1 . . . . 66 CYS HA . 11107 1 777 . 1 1 66 66 CYS HB2 H 1 2.424 0.030 . 2 . . . . 66 CYS HB2 . 11107 1 778 . 1 1 66 66 CYS HB3 H 1 3.357 0.030 . 2 . . . . 66 CYS HB3 . 11107 1 779 . 1 1 66 66 CYS C C 13 176.254 0.300 . 1 . . . . 66 CYS C . 11107 1 780 . 1 1 66 66 CYS CA C 13 54.605 0.300 . 1 . . . . 66 CYS CA . 11107 1 781 . 1 1 66 66 CYS CB C 13 38.968 0.300 . 1 . . . . 66 CYS CB . 11107 1 782 . 1 1 66 66 CYS N N 15 124.365 0.300 . 1 . . . . 66 CYS N . 11107 1 783 . 1 1 67 67 THR H H 1 8.871 0.030 . 1 . . . . 67 THR H . 11107 1 784 . 1 1 67 67 THR HA H 1 4.312 0.030 . 1 . . . . 67 THR HA . 11107 1 785 . 1 1 67 67 THR HB H 1 4.326 0.030 . 1 . . . . 67 THR HB . 11107 1 786 . 1 1 67 67 THR HG21 H 1 1.268 0.030 . 1 . . . . 67 THR HG2 . 11107 1 787 . 1 1 67 67 THR HG22 H 1 1.268 0.030 . 1 . . . . 67 THR HG2 . 11107 1 788 . 1 1 67 67 THR HG23 H 1 1.268 0.030 . 1 . . . . 67 THR HG2 . 11107 1 789 . 1 1 67 67 THR C C 13 174.767 0.300 . 1 . . . . 67 THR C . 11107 1 790 . 1 1 67 67 THR CA C 13 63.645 0.300 . 1 . . . . 67 THR CA . 11107 1 791 . 1 1 67 67 THR CB C 13 68.440 0.300 . 1 . . . . 67 THR CB . 11107 1 792 . 1 1 67 67 THR CG2 C 13 23.412 0.300 . 1 . . . . 67 THR CG2 . 11107 1 793 . 1 1 67 67 THR N N 15 112.082 0.300 . 1 . . . . 67 THR N . 11107 1 794 . 1 1 68 68 ALA H H 1 6.867 0.030 . 1 . . . . 68 ALA H . 11107 1 795 . 1 1 68 68 ALA HA H 1 4.540 0.030 . 1 . . . . 68 ALA HA . 11107 1 796 . 1 1 68 68 ALA HB1 H 1 1.458 0.030 . 1 . . . . 68 ALA HB . 11107 1 797 . 1 1 68 68 ALA HB2 H 1 1.458 0.030 . 1 . . . . 68 ALA HB . 11107 1 798 . 1 1 68 68 ALA HB3 H 1 1.458 0.030 . 1 . . . . 68 ALA HB . 11107 1 799 . 1 1 68 68 ALA C C 13 178.284 0.300 . 1 . . . . 68 ALA C . 11107 1 800 . 1 1 68 68 ALA CA C 13 52.791 0.300 . 1 . . . . 68 ALA CA . 11107 1 801 . 1 1 68 68 ALA CB C 13 21.427 0.300 . 1 . . . . 68 ALA CB . 11107 1 802 . 1 1 68 68 ALA N N 15 124.929 0.300 . 1 . . . . 68 ALA N . 11107 1 803 . 1 1 69 69 GLU H H 1 8.354 0.030 . 1 . . . . 69 GLU H . 11107 1 804 . 1 1 69 69 GLU HA H 1 4.894 0.030 . 1 . . . . 69 GLU HA . 11107 1 805 . 1 1 69 69 GLU HB2 H 1 2.061 0.030 . 2 . . . . 69 GLU HB2 . 11107 1 806 . 1 1 69 69 GLU HB3 H 1 1.740 0.030 . 2 . . . . 69 GLU HB3 . 11107 1 807 . 1 1 69 69 GLU HG2 H 1 2.539 0.030 . 2 . . . . 69 GLU HG2 . 11107 1 808 . 1 1 69 69 GLU HG3 H 1 2.425 0.030 . 2 . . . . 69 GLU HG3 . 11107 1 809 . 1 1 69 69 GLU C C 13 176.727 0.300 . 1 . . . . 69 GLU C . 11107 1 810 . 1 1 69 69 GLU CA C 13 52.726 0.300 . 1 . . . . 69 GLU CA . 11107 1 811 . 1 1 69 69 GLU CB C 13 26.922 0.300 . 1 . . . . 69 GLU CB . 11107 1 812 . 1 1 69 69 GLU CG C 13 34.608 0.300 . 1 . . . . 69 GLU CG . 11107 1 813 . 1 1 69 69 GLU N N 15 120.187 0.300 . 1 . . . . 69 GLU N . 11107 1 814 . 1 1 70 70 ARG H H 1 7.410 0.030 . 1 . . . . 70 ARG H . 11107 1 815 . 1 1 70 70 ARG HA H 1 3.953 0.030 . 1 . . . . 70 ARG HA . 11107 1 816 . 1 1 70 70 ARG HB2 H 1 1.810 0.030 . 1 . . . . 70 ARG HB2 . 11107 1 817 . 1 1 70 70 ARG HB3 H 1 1.810 0.030 . 1 . . . . 70 ARG HB3 . 11107 1 818 . 1 1 70 70 ARG HD2 H 1 3.221 0.030 . 1 . . . . 70 ARG HD2 . 11107 1 819 . 1 1 70 70 ARG HD3 H 1 3.221 0.030 . 1 . . . . 70 ARG HD3 . 11107 1 820 . 1 1 70 70 ARG HG2 H 1 1.672 0.030 . 2 . . . . 70 ARG HG2 . 11107 1 821 . 1 1 70 70 ARG HG3 H 1 1.592 0.030 . 2 . . . . 70 ARG HG3 . 11107 1 822 . 1 1 70 70 ARG C C 13 179.627 0.300 . 1 . . . . 70 ARG C . 11107 1 823 . 1 1 70 70 ARG CA C 13 59.605 0.300 . 1 . . . . 70 ARG CA . 11107 1 824 . 1 1 70 70 ARG CB C 13 30.054 0.300 . 1 . . . . 70 ARG CB . 11107 1 825 . 1 1 70 70 ARG CD C 13 43.317 0.300 . 1 . . . . 70 ARG CD . 11107 1 826 . 1 1 70 70 ARG CG C 13 27.156 0.300 . 1 . . . . 70 ARG CG . 11107 1 827 . 1 1 70 70 ARG N N 15 119.196 0.300 . 1 . . . . 70 ARG N . 11107 1 828 . 1 1 71 71 ASN H H 1 8.740 0.030 . 1 . . . . 71 ASN H . 11107 1 829 . 1 1 71 71 ASN HA H 1 4.441 0.030 . 1 . . . . 71 ASN HA . 11107 1 830 . 1 1 71 71 ASN HB2 H 1 2.806 0.030 . 2 . . . . 71 ASN HB2 . 11107 1 831 . 1 1 71 71 ASN HB3 H 1 2.736 0.030 . 2 . . . . 71 ASN HB3 . 11107 1 832 . 1 1 71 71 ASN HD21 H 1 8.260 0.030 . 2 . . . . 71 ASN HD21 . 11107 1 833 . 1 1 71 71 ASN HD22 H 1 6.930 0.030 . 2 . . . . 71 ASN HD22 . 11107 1 834 . 1 1 71 71 ASN C C 13 178.468 0.300 . 1 . . . . 71 ASN C . 11107 1 835 . 1 1 71 71 ASN CA C 13 56.165 0.300 . 1 . . . . 71 ASN CA . 11107 1 836 . 1 1 71 71 ASN CB C 13 37.413 0.300 . 1 . . . . 71 ASN CB . 11107 1 837 . 1 1 71 71 ASN N N 15 117.008 0.300 . 1 . . . . 71 ASN N . 11107 1 838 . 1 1 71 71 ASN ND2 N 15 114.759 0.300 . 1 . . . . 71 ASN ND2 . 11107 1 839 . 1 1 72 72 ILE H H 1 7.749 0.030 . 1 . . . . 72 ILE H . 11107 1 840 . 1 1 72 72 ILE HA H 1 3.530 0.030 . 1 . . . . 72 ILE HA . 11107 1 841 . 1 1 72 72 ILE HB H 1 1.732 0.030 . 1 . . . . 72 ILE HB . 11107 1 842 . 1 1 72 72 ILE HD11 H 1 0.537 0.030 . 1 . . . . 72 ILE HD1 . 11107 1 843 . 1 1 72 72 ILE HD12 H 1 0.537 0.030 . 1 . . . . 72 ILE HD1 . 11107 1 844 . 1 1 72 72 ILE HD13 H 1 0.537 0.030 . 1 . . . . 72 ILE HD1 . 11107 1 845 . 1 1 72 72 ILE HG12 H 1 1.588 0.030 . 2 . . . . 72 ILE HG12 . 11107 1 846 . 1 1 72 72 ILE HG13 H 1 0.768 0.030 . 2 . . . . 72 ILE HG13 . 11107 1 847 . 1 1 72 72 ILE HG21 H 1 0.424 0.030 . 1 . . . . 72 ILE HG2 . 11107 1 848 . 1 1 72 72 ILE HG22 H 1 0.424 0.030 . 1 . . . . 72 ILE HG2 . 11107 1 849 . 1 1 72 72 ILE HG23 H 1 0.424 0.030 . 1 . . . . 72 ILE HG2 . 11107 1 850 . 1 1 72 72 ILE C C 13 177.414 0.300 . 1 . . . . 72 ILE C . 11107 1 851 . 1 1 72 72 ILE CA C 13 64.983 0.300 . 1 . . . . 72 ILE CA . 11107 1 852 . 1 1 72 72 ILE CB C 13 37.680 0.300 . 1 . . . . 72 ILE CB . 11107 1 853 . 1 1 72 72 ILE CD1 C 13 12.242 0.300 . 1 . . . . 72 ILE CD1 . 11107 1 854 . 1 1 72 72 ILE CG1 C 13 28.111 0.300 . 1 . . . . 72 ILE CG1 . 11107 1 855 . 1 1 72 72 ILE CG2 C 13 17.815 0.300 . 1 . . . . 72 ILE CG2 . 11107 1 856 . 1 1 72 72 ILE N N 15 120.734 0.300 . 1 . . . . 72 ILE N . 11107 1 857 . 1 1 73 73 CYS H H 1 7.474 0.030 . 1 . . . . 73 CYS H . 11107 1 858 . 1 1 73 73 CYS HA H 1 4.280 0.030 . 1 . . . . 73 CYS HA . 11107 1 859 . 1 1 73 73 CYS HB2 H 1 3.780 0.030 . 2 . . . . 73 CYS HB2 . 11107 1 860 . 1 1 73 73 CYS HB3 H 1 3.041 0.030 . 2 . . . . 73 CYS HB3 . 11107 1 861 . 1 1 73 73 CYS C C 13 175.828 0.300 . 1 . . . . 73 CYS C . 11107 1 862 . 1 1 73 73 CYS CA C 13 61.826 0.300 . 1 . . . . 73 CYS CA . 11107 1 863 . 1 1 73 73 CYS CB C 13 43.285 0.300 . 1 . . . . 73 CYS CB . 11107 1 864 . 1 1 73 73 CYS N N 15 114.543 0.300 . 1 . . . . 73 CYS N . 11107 1 865 . 1 1 74 74 SER H H 1 8.348 0.030 . 1 . . . . 74 SER H . 11107 1 866 . 1 1 74 74 SER HA H 1 4.292 0.030 . 1 . . . . 74 SER HA . 11107 1 867 . 1 1 74 74 SER HB2 H 1 3.906 0.030 . 1 . . . . 74 SER HB2 . 11107 1 868 . 1 1 74 74 SER HB3 H 1 3.906 0.030 . 1 . . . . 74 SER HB3 . 11107 1 869 . 1 1 74 74 SER C C 13 178.073 0.300 . 1 . . . . 74 SER C . 11107 1 870 . 1 1 74 74 SER CA C 13 61.199 0.300 . 1 . . . . 74 SER CA . 11107 1 871 . 1 1 74 74 SER CB C 13 62.666 0.300 . 1 . . . . 74 SER CB . 11107 1 872 . 1 1 74 74 SER N N 15 114.662 0.300 . 1 . . . . 74 SER N . 11107 1 873 . 1 1 75 75 LYS H H 1 7.803 0.030 . 1 . . . . 75 LYS H . 11107 1 874 . 1 1 75 75 LYS HA H 1 3.791 0.030 . 1 . . . . 75 LYS HA . 11107 1 875 . 1 1 75 75 LYS HB2 H 1 1.717 0.030 . 2 . . . . 75 LYS HB2 . 11107 1 876 . 1 1 75 75 LYS HB3 H 1 1.594 0.030 . 2 . . . . 75 LYS HB3 . 11107 1 877 . 1 1 75 75 LYS HD2 H 1 1.454 0.030 . 2 . . . . 75 LYS HD2 . 11107 1 878 . 1 1 75 75 LYS HD3 H 1 1.391 0.030 . 2 . . . . 75 LYS HD3 . 11107 1 879 . 1 1 75 75 LYS HE2 H 1 2.789 0.030 . 1 . . . . 75 LYS HE2 . 11107 1 880 . 1 1 75 75 LYS HE3 H 1 2.789 0.030 . 1 . . . . 75 LYS HE3 . 11107 1 881 . 1 1 75 75 LYS HG2 H 1 0.974 0.030 . 2 . . . . 75 LYS HG2 . 11107 1 882 . 1 1 75 75 LYS HG3 H 1 0.396 0.030 . 2 . . . . 75 LYS HG3 . 11107 1 883 . 1 1 75 75 LYS C C 13 177.711 0.300 . 1 . . . . 75 LYS C . 11107 1 884 . 1 1 75 75 LYS CA C 13 59.481 0.300 . 1 . . . . 75 LYS CA . 11107 1 885 . 1 1 75 75 LYS CB C 13 31.737 0.300 . 1 . . . . 75 LYS CB . 11107 1 886 . 1 1 75 75 LYS CD C 13 29.806 0.300 . 1 . . . . 75 LYS CD . 11107 1 887 . 1 1 75 75 LYS CE C 13 42.086 0.300 . 1 . . . . 75 LYS CE . 11107 1 888 . 1 1 75 75 LYS CG C 13 24.674 0.300 . 1 . . . . 75 LYS CG . 11107 1 889 . 1 1 75 75 LYS N N 15 124.756 0.300 . 1 . . . . 75 LYS N . 11107 1 890 . 1 1 76 76 TYR H H 1 6.852 0.030 . 1 . . . . 76 TYR H . 11107 1 891 . 1 1 76 76 TYR HA H 1 4.495 0.030 . 1 . . . . 76 TYR HA . 11107 1 892 . 1 1 76 76 TYR HB2 H 1 3.240 0.030 . 2 . . . . 76 TYR HB2 . 11107 1 893 . 1 1 76 76 TYR HB3 H 1 2.020 0.030 . 2 . . . . 76 TYR HB3 . 11107 1 894 . 1 1 76 76 TYR HD1 H 1 7.281 0.030 . 1 . . . . 76 TYR HD1 . 11107 1 895 . 1 1 76 76 TYR HD2 H 1 7.281 0.030 . 1 . . . . 76 TYR HD2 . 11107 1 896 . 1 1 76 76 TYR HE1 H 1 6.831 0.030 . 1 . . . . 76 TYR HE1 . 11107 1 897 . 1 1 76 76 TYR HE2 H 1 6.831 0.030 . 1 . . . . 76 TYR HE2 . 11107 1 898 . 1 1 76 76 TYR C C 13 173.203 0.300 . 1 . . . . 76 TYR C . 11107 1 899 . 1 1 76 76 TYR CA C 13 58.794 0.300 . 1 . . . . 76 TYR CA . 11107 1 900 . 1 1 76 76 TYR CB C 13 37.262 0.300 . 1 . . . . 76 TYR CB . 11107 1 901 . 1 1 76 76 TYR CD1 C 13 132.925 0.300 . 1 . . . . 76 TYR CD1 . 11107 1 902 . 1 1 76 76 TYR CD2 C 13 132.925 0.300 . 1 . . . . 76 TYR CD2 . 11107 1 903 . 1 1 76 76 TYR CE1 C 13 118.328 0.300 . 1 . . . . 76 TYR CE1 . 11107 1 904 . 1 1 76 76 TYR CE2 C 13 118.328 0.300 . 1 . . . . 76 TYR CE2 . 11107 1 905 . 1 1 76 76 TYR N N 15 113.643 0.300 . 1 . . . . 76 TYR N . 11107 1 906 . 1 1 77 77 SER H H 1 7.695 0.030 . 1 . . . . 77 SER H . 11107 1 907 . 1 1 77 77 SER HA H 1 3.855 0.030 . 1 . . . . 77 SER HA . 11107 1 908 . 1 1 77 77 SER HB2 H 1 3.953 0.030 . 2 . . . . 77 SER HB2 . 11107 1 909 . 1 1 77 77 SER HB3 H 1 3.866 0.030 . 2 . . . . 77 SER HB3 . 11107 1 910 . 1 1 77 77 SER C C 13 173.624 0.300 . 1 . . . . 77 SER C . 11107 1 911 . 1 1 77 77 SER CA C 13 58.233 0.300 . 1 . . . . 77 SER CA . 11107 1 912 . 1 1 77 77 SER CB C 13 61.024 0.300 . 1 . . . . 77 SER CB . 11107 1 913 . 1 1 77 77 SER N N 15 112.106 0.300 . 1 . . . . 77 SER N . 11107 1 914 . 1 1 78 78 VAL H H 1 7.879 0.030 . 1 . . . . 78 VAL H . 11107 1 915 . 1 1 78 78 VAL HA H 1 3.669 0.030 . 1 . . . . 78 VAL HA . 11107 1 916 . 1 1 78 78 VAL HB H 1 1.890 0.030 . 1 . . . . 78 VAL HB . 11107 1 917 . 1 1 78 78 VAL HG11 H 1 0.927 0.030 . 1 . . . . 78 VAL HG1 . 11107 1 918 . 1 1 78 78 VAL HG12 H 1 0.927 0.030 . 1 . . . . 78 VAL HG1 . 11107 1 919 . 1 1 78 78 VAL HG13 H 1 0.927 0.030 . 1 . . . . 78 VAL HG1 . 11107 1 920 . 1 1 78 78 VAL HG21 H 1 0.400 0.030 . 1 . . . . 78 VAL HG2 . 11107 1 921 . 1 1 78 78 VAL HG22 H 1 0.400 0.030 . 1 . . . . 78 VAL HG2 . 11107 1 922 . 1 1 78 78 VAL HG23 H 1 0.400 0.030 . 1 . . . . 78 VAL HG2 . 11107 1 923 . 1 1 78 78 VAL C C 13 176.937 0.300 . 1 . . . . 78 VAL C . 11107 1 924 . 1 1 78 78 VAL CA C 13 63.857 0.300 . 1 . . . . 78 VAL CA . 11107 1 925 . 1 1 78 78 VAL CB C 13 30.842 0.300 . 1 . . . . 78 VAL CB . 11107 1 926 . 1 1 78 78 VAL CG1 C 13 22.038 0.300 . 2 . . . . 78 VAL CG1 . 11107 1 927 . 1 1 78 78 VAL CG2 C 13 21.126 0.300 . 2 . . . . 78 VAL CG2 . 11107 1 928 . 1 1 78 78 VAL N N 15 119.048 0.300 . 1 . . . . 78 VAL N . 11107 1 929 . 1 1 79 79 ARG H H 1 8.911 0.030 . 1 . . . . 79 ARG H . 11107 1 930 . 1 1 79 79 ARG HA H 1 4.318 0.030 . 1 . . . . 79 ARG HA . 11107 1 931 . 1 1 79 79 ARG HB2 H 1 1.816 0.030 . 2 . . . . 79 ARG HB2 . 11107 1 932 . 1 1 79 79 ARG HB3 H 1 1.564 0.030 . 2 . . . . 79 ARG HB3 . 11107 1 933 . 1 1 79 79 ARG HD2 H 1 3.085 0.030 . 1 . . . . 79 ARG HD2 . 11107 1 934 . 1 1 79 79 ARG HD3 H 1 3.085 0.030 . 1 . . . . 79 ARG HD3 . 11107 1 935 . 1 1 79 79 ARG HG2 H 1 1.485 0.030 . 1 . . . . 79 ARG HG2 . 11107 1 936 . 1 1 79 79 ARG HG3 H 1 1.485 0.030 . 1 . . . . 79 ARG HG3 . 11107 1 937 . 1 1 79 79 ARG C C 13 174.834 0.300 . 1 . . . . 79 ARG C . 11107 1 938 . 1 1 79 79 ARG CA C 13 55.483 0.300 . 1 . . . . 79 ARG CA . 11107 1 939 . 1 1 79 79 ARG CB C 13 31.496 0.300 . 1 . . . . 79 ARG CB . 11107 1 940 . 1 1 79 79 ARG CD C 13 43.155 0.300 . 1 . . . . 79 ARG CD . 11107 1 941 . 1 1 79 79 ARG CG C 13 26.950 0.300 . 1 . . . . 79 ARG CG . 11107 1 942 . 1 1 79 79 ARG N N 15 129.563 0.300 . 1 . . . . 79 ARG N . 11107 1 943 . 1 1 80 80 GLY H H 1 7.131 0.030 . 1 . . . . 80 GLY H . 11107 1 944 . 1 1 80 80 GLY HA2 H 1 3.553 0.030 . 2 . . . . 80 GLY HA2 . 11107 1 945 . 1 1 80 80 GLY HA3 H 1 3.401 0.030 . 2 . . . . 80 GLY HA3 . 11107 1 946 . 1 1 80 80 GLY C C 13 171.062 0.300 . 1 . . . . 80 GLY C . 11107 1 947 . 1 1 80 80 GLY CA C 13 43.710 0.300 . 1 . . . . 80 GLY CA . 11107 1 948 . 1 1 80 80 GLY N N 15 107.371 0.300 . 1 . . . . 80 GLY N . 11107 1 949 . 1 1 81 81 TYR H H 1 8.206 0.030 . 1 . . . . 81 TYR H . 11107 1 950 . 1 1 81 81 TYR HA H 1 5.046 0.030 . 1 . . . . 81 TYR HA . 11107 1 951 . 1 1 81 81 TYR HB2 H 1 2.883 0.030 . 2 . . . . 81 TYR HB2 . 11107 1 952 . 1 1 81 81 TYR HB3 H 1 2.825 0.030 . 2 . . . . 81 TYR HB3 . 11107 1 953 . 1 1 81 81 TYR HD1 H 1 6.705 0.030 . 1 . . . . 81 TYR HD1 . 11107 1 954 . 1 1 81 81 TYR HD2 H 1 6.705 0.030 . 1 . . . . 81 TYR HD2 . 11107 1 955 . 1 1 81 81 TYR HE1 H 1 6.663 0.030 . 1 . . . . 81 TYR HE1 . 11107 1 956 . 1 1 81 81 TYR HE2 H 1 6.663 0.030 . 1 . . . . 81 TYR HE2 . 11107 1 957 . 1 1 81 81 TYR C C 13 173.178 0.300 . 1 . . . . 81 TYR C . 11107 1 958 . 1 1 81 81 TYR CA C 13 53.571 0.300 . 1 . . . . 81 TYR CA . 11107 1 959 . 1 1 81 81 TYR CB C 13 41.029 0.300 . 1 . . . . 81 TYR CB . 11107 1 960 . 1 1 81 81 TYR CD1 C 13 133.045 0.300 . 1 . . . . 81 TYR CD1 . 11107 1 961 . 1 1 81 81 TYR CD2 C 13 133.045 0.300 . 1 . . . . 81 TYR CD2 . 11107 1 962 . 1 1 81 81 TYR CE1 C 13 117.774 0.300 . 1 . . . . 81 TYR CE1 . 11107 1 963 . 1 1 81 81 TYR CE2 C 13 117.774 0.300 . 1 . . . . 81 TYR CE2 . 11107 1 964 . 1 1 81 81 TYR N N 15 117.456 0.300 . 1 . . . . 81 TYR N . 11107 1 965 . 1 1 82 82 PRO HA H 1 5.172 0.030 . 1 . . . . 82 PRO HA . 11107 1 966 . 1 1 82 82 PRO HB2 H 1 2.395 0.030 . 2 . . . . 82 PRO HB2 . 11107 1 967 . 1 1 82 82 PRO HB3 H 1 1.564 0.030 . 2 . . . . 82 PRO HB3 . 11107 1 968 . 1 1 82 82 PRO HD2 H 1 3.723 0.030 . 2 . . . . 82 PRO HD2 . 11107 1 969 . 1 1 82 82 PRO HD3 H 1 3.337 0.030 . 2 . . . . 82 PRO HD3 . 11107 1 970 . 1 1 82 82 PRO HG2 H 1 1.827 0.030 . 2 . . . . 82 PRO HG2 . 11107 1 971 . 1 1 82 82 PRO HG3 H 1 1.740 0.030 . 2 . . . . 82 PRO HG3 . 11107 1 972 . 1 1 82 82 PRO C C 13 176.847 0.300 . 1 . . . . 82 PRO C . 11107 1 973 . 1 1 82 82 PRO CA C 13 62.865 0.300 . 1 . . . . 82 PRO CA . 11107 1 974 . 1 1 82 82 PRO CB C 13 33.883 0.300 . 1 . . . . 82 PRO CB . 11107 1 975 . 1 1 82 82 PRO CD C 13 49.545 0.300 . 1 . . . . 82 PRO CD . 11107 1 976 . 1 1 82 82 PRO CG C 13 24.463 0.300 . 1 . . . . 82 PRO CG . 11107 1 977 . 1 1 83 83 THR H H 1 8.722 0.030 . 1 . . . . 83 THR H . 11107 1 978 . 1 1 83 83 THR HA H 1 4.559 0.030 . 1 . . . . 83 THR HA . 11107 1 979 . 1 1 83 83 THR HB H 1 4.024 0.030 . 1 . . . . 83 THR HB . 11107 1 980 . 1 1 83 83 THR HG21 H 1 1.186 0.030 . 1 . . . . 83 THR HG2 . 11107 1 981 . 1 1 83 83 THR HG22 H 1 1.186 0.030 . 1 . . . . 83 THR HG2 . 11107 1 982 . 1 1 83 83 THR HG23 H 1 1.186 0.030 . 1 . . . . 83 THR HG2 . 11107 1 983 . 1 1 83 83 THR C C 13 172.366 0.300 . 1 . . . . 83 THR C . 11107 1 984 . 1 1 83 83 THR CA C 13 63.661 0.300 . 1 . . . . 83 THR CA . 11107 1 985 . 1 1 83 83 THR CB C 13 71.808 0.300 . 1 . . . . 83 THR CB . 11107 1 986 . 1 1 83 83 THR CG2 C 13 20.600 0.300 . 1 . . . . 83 THR CG2 . 11107 1 987 . 1 1 83 83 THR N N 15 117.989 0.300 . 1 . . . . 83 THR N . 11107 1 988 . 1 1 84 84 LEU H H 1 9.622 0.030 . 1 . . . . 84 LEU H . 11107 1 989 . 1 1 84 84 LEU HA H 1 5.555 0.030 . 1 . . . . 84 LEU HA . 11107 1 990 . 1 1 84 84 LEU HB2 H 1 2.348 0.030 . 2 . . . . 84 LEU HB2 . 11107 1 991 . 1 1 84 84 LEU HB3 H 1 1.347 0.030 . 2 . . . . 84 LEU HB3 . 11107 1 992 . 1 1 84 84 LEU HD11 H 1 0.880 0.030 . 1 . . . . 84 LEU HD1 . 11107 1 993 . 1 1 84 84 LEU HD12 H 1 0.880 0.030 . 1 . . . . 84 LEU HD1 . 11107 1 994 . 1 1 84 84 LEU HD13 H 1 0.880 0.030 . 1 . . . . 84 LEU HD1 . 11107 1 995 . 1 1 84 84 LEU HD21 H 1 0.298 0.030 . 1 . . . . 84 LEU HD2 . 11107 1 996 . 1 1 84 84 LEU HD22 H 1 0.298 0.030 . 1 . . . . 84 LEU HD2 . 11107 1 997 . 1 1 84 84 LEU HD23 H 1 0.298 0.030 . 1 . . . . 84 LEU HD2 . 11107 1 998 . 1 1 84 84 LEU HG H 1 1.521 0.030 . 1 . . . . 84 LEU HG . 11107 1 999 . 1 1 84 84 LEU C C 13 175.419 0.300 . 1 . . . . 84 LEU C . 11107 1 1000 . 1 1 84 84 LEU CA C 13 53.060 0.300 . 1 . . . . 84 LEU CA . 11107 1 1001 . 1 1 84 84 LEU CB C 13 41.738 0.300 . 1 . . . . 84 LEU CB . 11107 1 1002 . 1 1 84 84 LEU CD1 C 13 26.042 0.300 . 2 . . . . 84 LEU CD1 . 11107 1 1003 . 1 1 84 84 LEU CD2 C 13 24.381 0.300 . 2 . . . . 84 LEU CD2 . 11107 1 1004 . 1 1 84 84 LEU CG C 13 27.261 0.300 . 1 . . . . 84 LEU CG . 11107 1 1005 . 1 1 84 84 LEU N N 15 130.779 0.300 . 1 . . . . 84 LEU N . 11107 1 1006 . 1 1 85 85 LEU H H 1 8.919 0.030 . 1 . . . . 85 LEU H . 11107 1 1007 . 1 1 85 85 LEU HA H 1 5.440 0.030 . 1 . . . . 85 LEU HA . 11107 1 1008 . 1 1 85 85 LEU HB2 H 1 2.310 0.030 . 2 . . . . 85 LEU HB2 . 11107 1 1009 . 1 1 85 85 LEU HB3 H 1 1.293 0.030 . 2 . . . . 85 LEU HB3 . 11107 1 1010 . 1 1 85 85 LEU HD11 H 1 0.736 0.030 . 1 . . . . 85 LEU HD1 . 11107 1 1011 . 1 1 85 85 LEU HD12 H 1 0.736 0.030 . 1 . . . . 85 LEU HD1 . 11107 1 1012 . 1 1 85 85 LEU HD13 H 1 0.736 0.030 . 1 . . . . 85 LEU HD1 . 11107 1 1013 . 1 1 85 85 LEU HD21 H 1 0.885 0.030 . 1 . . . . 85 LEU HD2 . 11107 1 1014 . 1 1 85 85 LEU HD22 H 1 0.885 0.030 . 1 . . . . 85 LEU HD2 . 11107 1 1015 . 1 1 85 85 LEU HD23 H 1 0.885 0.030 . 1 . . . . 85 LEU HD2 . 11107 1 1016 . 1 1 85 85 LEU HG H 1 1.719 0.030 . 1 . . . . 85 LEU HG . 11107 1 1017 . 1 1 85 85 LEU C C 13 174.689 0.300 . 1 . . . . 85 LEU C . 11107 1 1018 . 1 1 85 85 LEU CA C 13 53.587 0.300 . 1 . . . . 85 LEU CA . 11107 1 1019 . 1 1 85 85 LEU CB C 13 47.064 0.300 . 1 . . . . 85 LEU CB . 11107 1 1020 . 1 1 85 85 LEU CD1 C 13 24.815 0.300 . 2 . . . . 85 LEU CD1 . 11107 1 1021 . 1 1 85 85 LEU CD2 C 13 23.498 0.300 . 2 . . . . 85 LEU CD2 . 11107 1 1022 . 1 1 85 85 LEU CG C 13 26.969 0.300 . 1 . . . . 85 LEU CG . 11107 1 1023 . 1 1 85 85 LEU N N 15 121.205 0.300 . 1 . . . . 85 LEU N . 11107 1 1024 . 1 1 86 86 LEU H H 1 9.154 0.030 . 1 . . . . 86 LEU H . 11107 1 1025 . 1 1 86 86 LEU HA H 1 5.500 0.030 . 1 . . . . 86 LEU HA . 11107 1 1026 . 1 1 86 86 LEU HB2 H 1 2.013 0.030 . 2 . . . . 86 LEU HB2 . 11107 1 1027 . 1 1 86 86 LEU HB3 H 1 1.368 0.030 . 2 . . . . 86 LEU HB3 . 11107 1 1028 . 1 1 86 86 LEU HD11 H 1 0.541 0.030 . 1 . . . . 86 LEU HD1 . 11107 1 1029 . 1 1 86 86 LEU HD12 H 1 0.541 0.030 . 1 . . . . 86 LEU HD1 . 11107 1 1030 . 1 1 86 86 LEU HD13 H 1 0.541 0.030 . 1 . . . . 86 LEU HD1 . 11107 1 1031 . 1 1 86 86 LEU HD21 H 1 0.450 0.030 . 1 . . . . 86 LEU HD2 . 11107 1 1032 . 1 1 86 86 LEU HD22 H 1 0.450 0.030 . 1 . . . . 86 LEU HD2 . 11107 1 1033 . 1 1 86 86 LEU HD23 H 1 0.450 0.030 . 1 . . . . 86 LEU HD2 . 11107 1 1034 . 1 1 86 86 LEU HG H 1 1.410 0.030 . 1 . . . . 86 LEU HG . 11107 1 1035 . 1 1 86 86 LEU C C 13 174.424 0.300 . 1 . . . . 86 LEU C . 11107 1 1036 . 1 1 86 86 LEU CA C 13 54.059 0.300 . 1 . . . . 86 LEU CA . 11107 1 1037 . 1 1 86 86 LEU CB C 13 45.543 0.300 . 1 . . . . 86 LEU CB . 11107 1 1038 . 1 1 86 86 LEU CD1 C 13 24.743 0.300 . 2 . . . . 86 LEU CD1 . 11107 1 1039 . 1 1 86 86 LEU CD2 C 13 25.665 0.300 . 2 . . . . 86 LEU CD2 . 11107 1 1040 . 1 1 86 86 LEU CG C 13 27.551 0.300 . 1 . . . . 86 LEU CG . 11107 1 1041 . 1 1 86 86 LEU N N 15 125.698 0.300 . 1 . . . . 86 LEU N . 11107 1 1042 . 1 1 87 87 PHE H H 1 9.741 0.030 . 1 . . . . 87 PHE H . 11107 1 1043 . 1 1 87 87 PHE HA H 1 5.338 0.030 . 1 . . . . 87 PHE HA . 11107 1 1044 . 1 1 87 87 PHE HB2 H 1 3.102 0.030 . 2 . . . . 87 PHE HB2 . 11107 1 1045 . 1 1 87 87 PHE HB3 H 1 2.596 0.030 . 2 . . . . 87 PHE HB3 . 11107 1 1046 . 1 1 87 87 PHE HD1 H 1 6.954 0.030 . 1 . . . . 87 PHE HD1 . 11107 1 1047 . 1 1 87 87 PHE HD2 H 1 6.954 0.030 . 1 . . . . 87 PHE HD2 . 11107 1 1048 . 1 1 87 87 PHE HE1 H 1 7.144 0.030 . 1 . . . . 87 PHE HE1 . 11107 1 1049 . 1 1 87 87 PHE HE2 H 1 7.144 0.030 . 1 . . . . 87 PHE HE2 . 11107 1 1050 . 1 1 87 87 PHE HZ H 1 6.161 0.030 . 1 . . . . 87 PHE HZ . 11107 1 1051 . 1 1 87 87 PHE C C 13 174.514 0.300 . 1 . . . . 87 PHE C . 11107 1 1052 . 1 1 87 87 PHE CA C 13 56.452 0.300 . 1 . . . . 87 PHE CA . 11107 1 1053 . 1 1 87 87 PHE CB C 13 42.948 0.300 . 1 . . . . 87 PHE CB . 11107 1 1054 . 1 1 87 87 PHE CD1 C 13 131.815 0.300 . 1 . . . . 87 PHE CD1 . 11107 1 1055 . 1 1 87 87 PHE CD2 C 13 131.815 0.300 . 1 . . . . 87 PHE CD2 . 11107 1 1056 . 1 1 87 87 PHE CE1 C 13 131.215 0.300 . 1 . . . . 87 PHE CE1 . 11107 1 1057 . 1 1 87 87 PHE CE2 C 13 131.215 0.300 . 1 . . . . 87 PHE CE2 . 11107 1 1058 . 1 1 87 87 PHE CZ C 13 128.255 0.300 . 1 . . . . 87 PHE CZ . 11107 1 1059 . 1 1 87 87 PHE N N 15 127.193 0.300 . 1 . . . . 87 PHE N . 11107 1 1060 . 1 1 88 88 ARG H H 1 9.056 0.030 . 1 . . . . 88 ARG H . 11107 1 1061 . 1 1 88 88 ARG HA H 1 5.248 0.030 . 1 . . . . 88 ARG HA . 11107 1 1062 . 1 1 88 88 ARG HB2 H 1 1.722 0.030 . 2 . . . . 88 ARG HB2 . 11107 1 1063 . 1 1 88 88 ARG HB3 H 1 1.487 0.030 . 2 . . . . 88 ARG HB3 . 11107 1 1064 . 1 1 88 88 ARG HD2 H 1 3.096 0.030 . 2 . . . . 88 ARG HD2 . 11107 1 1065 . 1 1 88 88 ARG HD3 H 1 3.056 0.030 . 2 . . . . 88 ARG HD3 . 11107 1 1066 . 1 1 88 88 ARG HG2 H 1 1.488 0.030 . 2 . . . . 88 ARG HG2 . 11107 1 1067 . 1 1 88 88 ARG HG3 H 1 1.430 0.030 . 2 . . . . 88 ARG HG3 . 11107 1 1068 . 1 1 88 88 ARG C C 13 178.511 0.300 . 1 . . . . 88 ARG C . 11107 1 1069 . 1 1 88 88 ARG CA C 13 55.319 0.300 . 1 . . . . 88 ARG CA . 11107 1 1070 . 1 1 88 88 ARG CB C 13 34.264 0.300 . 1 . . . . 88 ARG CB . 11107 1 1071 . 1 1 88 88 ARG CD C 13 44.130 0.300 . 1 . . . . 88 ARG CD . 11107 1 1072 . 1 1 88 88 ARG CG C 13 27.116 0.300 . 1 . . . . 88 ARG CG . 11107 1 1073 . 1 1 88 88 ARG N N 15 118.849 0.300 . 1 . . . . 88 ARG N . 11107 1 1074 . 1 1 89 89 GLY H H 1 8.916 0.030 . 1 . . . . 89 GLY H . 11107 1 1075 . 1 1 89 89 GLY HA2 H 1 3.966 0.030 . 2 . . . . 89 GLY HA2 . 11107 1 1076 . 1 1 89 89 GLY HA3 H 1 3.838 0.030 . 2 . . . . 89 GLY HA3 . 11107 1 1077 . 1 1 89 89 GLY C C 13 175.654 0.300 . 1 . . . . 89 GLY C . 11107 1 1078 . 1 1 89 89 GLY CA C 13 48.370 0.300 . 1 . . . . 89 GLY CA . 11107 1 1079 . 1 1 89 89 GLY N N 15 115.932 0.300 . 1 . . . . 89 GLY N . 11107 1 1080 . 1 1 90 90 GLY H H 1 7.720 0.030 . 1 . . . . 90 GLY H . 11107 1 1081 . 1 1 90 90 GLY HA2 H 1 4.327 0.030 . 2 . . . . 90 GLY HA2 . 11107 1 1082 . 1 1 90 90 GLY HA3 H 1 3.303 0.030 . 2 . . . . 90 GLY HA3 . 11107 1 1083 . 1 1 90 90 GLY C C 13 173.242 0.300 . 1 . . . . 90 GLY C . 11107 1 1084 . 1 1 90 90 GLY CA C 13 45.347 0.300 . 1 . . . . 90 GLY CA . 11107 1 1085 . 1 1 90 90 GLY N N 15 102.203 0.300 . 1 . . . . 90 GLY N . 11107 1 1086 . 1 1 91 91 LYS H H 1 7.726 0.030 . 1 . . . . 91 LYS H . 11107 1 1087 . 1 1 91 91 LYS HA H 1 4.867 0.030 . 1 . . . . 91 LYS HA . 11107 1 1088 . 1 1 91 91 LYS HB2 H 1 1.857 0.030 . 2 . . . . 91 LYS HB2 . 11107 1 1089 . 1 1 91 91 LYS HB3 H 1 1.800 0.030 . 2 . . . . 91 LYS HB3 . 11107 1 1090 . 1 1 91 91 LYS HD2 H 1 1.723 0.030 . 1 . . . . 91 LYS HD2 . 11107 1 1091 . 1 1 91 91 LYS HD3 H 1 1.723 0.030 . 1 . . . . 91 LYS HD3 . 11107 1 1092 . 1 1 91 91 LYS HE2 H 1 3.045 0.030 . 1 . . . . 91 LYS HE2 . 11107 1 1093 . 1 1 91 91 LYS HE3 H 1 3.045 0.030 . 1 . . . . 91 LYS HE3 . 11107 1 1094 . 1 1 91 91 LYS HG2 H 1 1.454 0.030 . 1 . . . . 91 LYS HG2 . 11107 1 1095 . 1 1 91 91 LYS HG3 H 1 1.454 0.030 . 1 . . . . 91 LYS HG3 . 11107 1 1096 . 1 1 91 91 LYS C C 13 174.898 0.300 . 1 . . . . 91 LYS C . 11107 1 1097 . 1 1 91 91 LYS CA C 13 54.500 0.300 . 1 . . . . 91 LYS CA . 11107 1 1098 . 1 1 91 91 LYS CB C 13 35.599 0.300 . 1 . . . . 91 LYS CB . 11107 1 1099 . 1 1 91 91 LYS CD C 13 29.138 0.300 . 1 . . . . 91 LYS CD . 11107 1 1100 . 1 1 91 91 LYS CE C 13 42.292 0.300 . 1 . . . . 91 LYS CE . 11107 1 1101 . 1 1 91 91 LYS CG C 13 24.507 0.300 . 1 . . . . 91 LYS CG . 11107 1 1102 . 1 1 91 91 LYS N N 15 118.995 0.300 . 1 . . . . 91 LYS N . 11107 1 1103 . 1 1 92 92 LYS H H 1 8.927 0.030 . 1 . . . . 92 LYS H . 11107 1 1104 . 1 1 92 92 LYS HA H 1 3.188 0.030 . 1 . . . . 92 LYS HA . 11107 1 1105 . 1 1 92 92 LYS HB2 H 1 1.719 0.030 . 2 . . . . 92 LYS HB2 . 11107 1 1106 . 1 1 92 92 LYS HB3 H 1 1.367 0.030 . 2 . . . . 92 LYS HB3 . 11107 1 1107 . 1 1 92 92 LYS HD2 H 1 1.628 0.030 . 2 . . . . 92 LYS HD2 . 11107 1 1108 . 1 1 92 92 LYS HD3 H 1 1.539 0.030 . 2 . . . . 92 LYS HD3 . 11107 1 1109 . 1 1 92 92 LYS HE2 H 1 2.829 0.030 . 1 . . . . 92 LYS HE2 . 11107 1 1110 . 1 1 92 92 LYS HE3 H 1 2.829 0.030 . 1 . . . . 92 LYS HE3 . 11107 1 1111 . 1 1 92 92 LYS HG2 H 1 0.878 0.030 . 2 . . . . 92 LYS HG2 . 11107 1 1112 . 1 1 92 92 LYS HG3 H 1 0.774 0.030 . 2 . . . . 92 LYS HG3 . 11107 1 1113 . 1 1 92 92 LYS C C 13 176.321 0.300 . 1 . . . . 92 LYS C . 11107 1 1114 . 1 1 92 92 LYS CA C 13 57.406 0.300 . 1 . . . . 92 LYS CA . 11107 1 1115 . 1 1 92 92 LYS CB C 13 31.788 0.300 . 1 . . . . 92 LYS CB . 11107 1 1116 . 1 1 92 92 LYS CD C 13 29.787 0.300 . 1 . . . . 92 LYS CD . 11107 1 1117 . 1 1 92 92 LYS CE C 13 41.626 0.300 . 1 . . . . 92 LYS CE . 11107 1 1118 . 1 1 92 92 LYS CG C 13 24.514 0.300 . 1 . . . . 92 LYS CG . 11107 1 1119 . 1 1 92 92 LYS N N 15 125.097 0.300 . 1 . . . . 92 LYS N . 11107 1 1120 . 1 1 93 93 VAL H H 1 9.293 0.030 . 1 . . . . 93 VAL H . 11107 1 1121 . 1 1 93 93 VAL HA H 1 4.278 0.030 . 1 . . . . 93 VAL HA . 11107 1 1122 . 1 1 93 93 VAL HB H 1 1.918 0.030 . 1 . . . . 93 VAL HB . 11107 1 1123 . 1 1 93 93 VAL HG11 H 1 0.910 0.030 . 1 . . . . 93 VAL HG1 . 11107 1 1124 . 1 1 93 93 VAL HG12 H 1 0.910 0.030 . 1 . . . . 93 VAL HG1 . 11107 1 1125 . 1 1 93 93 VAL HG13 H 1 0.910 0.030 . 1 . . . . 93 VAL HG1 . 11107 1 1126 . 1 1 93 93 VAL HG21 H 1 0.807 0.030 . 1 . . . . 93 VAL HG2 . 11107 1 1127 . 1 1 93 93 VAL HG22 H 1 0.807 0.030 . 1 . . . . 93 VAL HG2 . 11107 1 1128 . 1 1 93 93 VAL HG23 H 1 0.807 0.030 . 1 . . . . 93 VAL HG2 . 11107 1 1129 . 1 1 93 93 VAL C C 13 176.206 0.300 . 1 . . . . 93 VAL C . 11107 1 1130 . 1 1 93 93 VAL CA C 13 63.359 0.300 . 1 . . . . 93 VAL CA . 11107 1 1131 . 1 1 93 93 VAL CB C 13 33.539 0.300 . 1 . . . . 93 VAL CB . 11107 1 1132 . 1 1 93 93 VAL CG1 C 13 21.507 0.300 . 2 . . . . 93 VAL CG1 . 11107 1 1133 . 1 1 93 93 VAL CG2 C 13 21.533 0.300 . 2 . . . . 93 VAL CG2 . 11107 1 1134 . 1 1 93 93 VAL N N 15 126.444 0.300 . 1 . . . . 93 VAL N . 11107 1 1135 . 1 1 94 94 SER H H 1 7.597 0.030 . 1 . . . . 94 SER H . 11107 1 1136 . 1 1 94 94 SER HA H 1 4.657 0.030 . 1 . . . . 94 SER HA . 11107 1 1137 . 1 1 94 94 SER HB2 H 1 3.935 0.030 . 2 . . . . 94 SER HB2 . 11107 1 1138 . 1 1 94 94 SER HB3 H 1 3.826 0.030 . 2 . . . . 94 SER HB3 . 11107 1 1139 . 1 1 94 94 SER C C 13 171.864 0.300 . 1 . . . . 94 SER C . 11107 1 1140 . 1 1 94 94 SER CA C 13 57.867 0.300 . 1 . . . . 94 SER CA . 11107 1 1141 . 1 1 94 94 SER CB C 13 65.075 0.300 . 1 . . . . 94 SER CB . 11107 1 1142 . 1 1 94 94 SER N N 15 110.542 0.300 . 1 . . . . 94 SER N . 11107 1 1143 . 1 1 95 95 GLU H H 1 8.577 0.030 . 1 . . . . 95 GLU H . 11107 1 1144 . 1 1 95 95 GLU HA H 1 5.154 0.030 . 1 . . . . 95 GLU HA . 11107 1 1145 . 1 1 95 95 GLU HB2 H 1 1.885 0.030 . 2 . . . . 95 GLU HB2 . 11107 1 1146 . 1 1 95 95 GLU HB3 H 1 1.835 0.030 . 2 . . . . 95 GLU HB3 . 11107 1 1147 . 1 1 95 95 GLU HG2 H 1 2.340 0.030 . 2 . . . . 95 GLU HG2 . 11107 1 1148 . 1 1 95 95 GLU HG3 H 1 1.969 0.030 . 2 . . . . 95 GLU HG3 . 11107 1 1149 . 1 1 95 95 GLU C C 13 175.550 0.300 . 1 . . . . 95 GLU C . 11107 1 1150 . 1 1 95 95 GLU CA C 13 54.232 0.300 . 1 . . . . 95 GLU CA . 11107 1 1151 . 1 1 95 95 GLU CB C 13 32.484 0.300 . 1 . . . . 95 GLU CB . 11107 1 1152 . 1 1 95 95 GLU CG C 13 35.545 0.300 . 1 . . . . 95 GLU CG . 11107 1 1153 . 1 1 95 95 GLU N N 15 122.177 0.300 . 1 . . . . 95 GLU N . 11107 1 1154 . 1 1 96 96 HIS H H 1 8.493 0.030 . 1 . . . . 96 HIS H . 11107 1 1155 . 1 1 96 96 HIS HA H 1 4.386 0.030 . 1 . . . . 96 HIS HA . 11107 1 1156 . 1 1 96 96 HIS HB2 H 1 2.748 0.030 . 2 . . . . 96 HIS HB2 . 11107 1 1157 . 1 1 96 96 HIS HB3 H 1 1.451 0.030 . 2 . . . . 96 HIS HB3 . 11107 1 1158 . 1 1 96 96 HIS HD2 H 1 6.406 0.030 . 1 . . . . 96 HIS HD2 . 11107 1 1159 . 1 1 96 96 HIS HE1 H 1 7.683 0.030 . 1 . . . . 96 HIS HE1 . 11107 1 1160 . 1 1 96 96 HIS C C 13 175.306 0.300 . 1 . . . . 96 HIS C . 11107 1 1161 . 1 1 96 96 HIS CA C 13 56.252 0.300 . 1 . . . . 96 HIS CA . 11107 1 1162 . 1 1 96 96 HIS CB C 13 31.347 0.300 . 1 . . . . 96 HIS CB . 11107 1 1163 . 1 1 96 96 HIS CD2 C 13 117.651 0.300 . 1 . . . . 96 HIS CD2 . 11107 1 1164 . 1 1 96 96 HIS CE1 C 13 138.621 0.300 . 1 . . . . 96 HIS CE1 . 11107 1 1165 . 1 1 96 96 HIS N N 15 124.706 0.300 . 1 . . . . 96 HIS N . 11107 1 1166 . 1 1 97 97 SER H H 1 8.315 0.030 . 1 . . . . 97 SER H . 11107 1 1167 . 1 1 97 97 SER HA H 1 4.539 0.030 . 1 . . . . 97 SER HA . 11107 1 1168 . 1 1 97 97 SER HB2 H 1 3.793 0.030 . 2 . . . . 97 SER HB2 . 11107 1 1169 . 1 1 97 97 SER HB3 H 1 3.712 0.030 . 2 . . . . 97 SER HB3 . 11107 1 1170 . 1 1 97 97 SER C C 13 173.558 0.300 . 1 . . . . 97 SER C . 11107 1 1171 . 1 1 97 97 SER CA C 13 57.205 0.300 . 1 . . . . 97 SER CA . 11107 1 1172 . 1 1 97 97 SER CB C 13 63.922 0.300 . 1 . . . . 97 SER CB . 11107 1 1173 . 1 1 98 98 GLY H H 1 5.741 0.030 . 1 . . . . 98 GLY H . 11107 1 1174 . 1 1 98 98 GLY HA2 H 1 4.179 0.030 . 2 . . . . 98 GLY HA2 . 11107 1 1175 . 1 1 98 98 GLY HA3 H 1 3.679 0.030 . 2 . . . . 98 GLY HA3 . 11107 1 1176 . 1 1 98 98 GLY C C 13 174.069 0.300 . 1 . . . . 98 GLY C . 11107 1 1177 . 1 1 98 98 GLY CA C 13 44.082 0.300 . 1 . . . . 98 GLY CA . 11107 1 1178 . 1 1 98 98 GLY N N 15 106.228 0.300 . 1 . . . . 98 GLY N . 11107 1 1179 . 1 1 99 99 GLY H H 1 8.742 0.030 . 1 . . . . 99 GLY H . 11107 1 1180 . 1 1 99 99 GLY HA2 H 1 4.015 0.030 . 2 . . . . 99 GLY HA2 . 11107 1 1181 . 1 1 99 99 GLY HA3 H 1 3.893 0.030 . 2 . . . . 99 GLY HA3 . 11107 1 1182 . 1 1 99 99 GLY C C 13 174.278 0.300 . 1 . . . . 99 GLY C . 11107 1 1183 . 1 1 99 99 GLY CA C 13 46.183 0.300 . 1 . . . . 99 GLY CA . 11107 1 1184 . 1 1 99 99 GLY N N 15 108.301 0.300 . 1 . . . . 99 GLY N . 11107 1 1185 . 1 1 100 100 ARG H H 1 8.755 0.030 . 1 . . . . 100 ARG H . 11107 1 1186 . 1 1 100 100 ARG HA H 1 4.491 0.030 . 1 . . . . 100 ARG HA . 11107 1 1187 . 1 1 100 100 ARG HB2 H 1 2.325 0.030 . 2 . . . . 100 ARG HB2 . 11107 1 1188 . 1 1 100 100 ARG HB3 H 1 1.665 0.030 . 2 . . . . 100 ARG HB3 . 11107 1 1189 . 1 1 100 100 ARG HD2 H 1 3.227 0.030 . 2 . . . . 100 ARG HD2 . 11107 1 1190 . 1 1 100 100 ARG HD3 H 1 3.175 0.030 . 2 . . . . 100 ARG HD3 . 11107 1 1191 . 1 1 100 100 ARG HE H 1 7.615 0.030 . 1 . . . . 100 ARG HE . 11107 1 1192 . 1 1 100 100 ARG HG2 H 1 1.841 0.030 . 2 . . . . 100 ARG HG2 . 11107 1 1193 . 1 1 100 100 ARG HG3 H 1 1.511 0.030 . 2 . . . . 100 ARG HG3 . 11107 1 1194 . 1 1 100 100 ARG C C 13 174.749 0.300 . 1 . . . . 100 ARG C . 11107 1 1195 . 1 1 100 100 ARG CA C 13 55.812 0.300 . 1 . . . . 100 ARG CA . 11107 1 1196 . 1 1 100 100 ARG CB C 13 30.248 0.300 . 1 . . . . 100 ARG CB . 11107 1 1197 . 1 1 100 100 ARG CD C 13 44.422 0.300 . 1 . . . . 100 ARG CD . 11107 1 1198 . 1 1 100 100 ARG CG C 13 29.361 0.300 . 1 . . . . 100 ARG CG . 11107 1 1199 . 1 1 100 100 ARG N N 15 120.430 0.300 . 1 . . . . 100 ARG N . 11107 1 1200 . 1 1 100 100 ARG NE N 15 84.845 0.300 . 1 . . . . 100 ARG NE . 11107 1 1201 . 1 1 101 101 ASP H H 1 8.208 0.030 . 1 . . . . 101 ASP H . 11107 1 1202 . 1 1 101 101 ASP HA H 1 4.669 0.030 . 1 . . . . 101 ASP HA . 11107 1 1203 . 1 1 101 101 ASP HB2 H 1 2.859 0.030 . 2 . . . . 101 ASP HB2 . 11107 1 1204 . 1 1 101 101 ASP HB3 H 1 2.697 0.030 . 2 . . . . 101 ASP HB3 . 11107 1 1205 . 1 1 101 101 ASP C C 13 175.343 0.300 . 1 . . . . 101 ASP C . 11107 1 1206 . 1 1 101 101 ASP CA C 13 52.574 0.300 . 1 . . . . 101 ASP CA . 11107 1 1207 . 1 1 101 101 ASP CB C 13 41.738 0.300 . 1 . . . . 101 ASP CB . 11107 1 1208 . 1 1 101 101 ASP N N 15 116.013 0.300 . 1 . . . . 101 ASP N . 11107 1 1209 . 1 1 102 102 LEU H H 1 8.860 0.030 . 1 . . . . 102 LEU H . 11107 1 1210 . 1 1 102 102 LEU HA H 1 3.771 0.030 . 1 . . . . 102 LEU HA . 11107 1 1211 . 1 1 102 102 LEU HB2 H 1 1.879 0.030 . 2 . . . . 102 LEU HB2 . 11107 1 1212 . 1 1 102 102 LEU HB3 H 1 1.613 0.030 . 2 . . . . 102 LEU HB3 . 11107 1 1213 . 1 1 102 102 LEU HD11 H 1 0.873 0.030 . 1 . . . . 102 LEU HD1 . 11107 1 1214 . 1 1 102 102 LEU HD12 H 1 0.873 0.030 . 1 . . . . 102 LEU HD1 . 11107 1 1215 . 1 1 102 102 LEU HD13 H 1 0.873 0.030 . 1 . . . . 102 LEU HD1 . 11107 1 1216 . 1 1 102 102 LEU HD21 H 1 0.885 0.030 . 1 . . . . 102 LEU HD2 . 11107 1 1217 . 1 1 102 102 LEU HD22 H 1 0.885 0.030 . 1 . . . . 102 LEU HD2 . 11107 1 1218 . 1 1 102 102 LEU HD23 H 1 0.885 0.030 . 1 . . . . 102 LEU HD2 . 11107 1 1219 . 1 1 102 102 LEU HG H 1 1.538 0.030 . 1 . . . . 102 LEU HG . 11107 1 1220 . 1 1 102 102 LEU C C 13 177.680 0.300 . 1 . . . . 102 LEU C . 11107 1 1221 . 1 1 102 102 LEU CA C 13 58.911 0.300 . 1 . . . . 102 LEU CA . 11107 1 1222 . 1 1 102 102 LEU CB C 13 42.272 0.300 . 1 . . . . 102 LEU CB . 11107 1 1223 . 1 1 102 102 LEU CD1 C 13 23.332 0.300 . 2 . . . . 102 LEU CD1 . 11107 1 1224 . 1 1 102 102 LEU CD2 C 13 26.395 0.300 . 2 . . . . 102 LEU CD2 . 11107 1 1225 . 1 1 102 102 LEU CG C 13 26.733 0.300 . 1 . . . . 102 LEU CG . 11107 1 1226 . 1 1 102 102 LEU N N 15 121.608 0.300 . 1 . . . . 102 LEU N . 11107 1 1227 . 1 1 103 103 ASP H H 1 8.216 0.030 . 1 . . . . 103 ASP H . 11107 1 1228 . 1 1 103 103 ASP HA H 1 4.455 0.030 . 1 . . . . 103 ASP HA . 11107 1 1229 . 1 1 103 103 ASP HB2 H 1 2.711 0.030 . 2 . . . . 103 ASP HB2 . 11107 1 1230 . 1 1 103 103 ASP HB3 H 1 2.653 0.030 . 2 . . . . 103 ASP HB3 . 11107 1 1231 . 1 1 103 103 ASP C C 13 178.841 0.300 . 1 . . . . 103 ASP C . 11107 1 1232 . 1 1 103 103 ASP CA C 13 58.229 0.300 . 1 . . . . 103 ASP CA . 11107 1 1233 . 1 1 103 103 ASP CB C 13 41.020 0.300 . 1 . . . . 103 ASP CB . 11107 1 1234 . 1 1 103 103 ASP N N 15 116.082 0.300 . 1 . . . . 103 ASP N . 11107 1 1235 . 1 1 104 104 SER H H 1 7.992 0.030 . 1 . . . . 104 SER H . 11107 1 1236 . 1 1 104 104 SER HA H 1 4.189 0.030 . 1 . . . . 104 SER HA . 11107 1 1237 . 1 1 104 104 SER HB2 H 1 3.918 0.030 . 2 . . . . 104 SER HB2 . 11107 1 1238 . 1 1 104 104 SER HB3 H 1 3.782 0.030 . 2 . . . . 104 SER HB3 . 11107 1 1239 . 1 1 104 104 SER C C 13 177.749 0.300 . 1 . . . . 104 SER C . 11107 1 1240 . 1 1 104 104 SER CA C 13 62.662 0.300 . 1 . . . . 104 SER CA . 11107 1 1241 . 1 1 104 104 SER CB C 13 62.876 0.300 . 1 . . . . 104 SER CB . 11107 1 1242 . 1 1 104 104 SER N N 15 117.327 0.300 . 1 . . . . 104 SER N . 11107 1 1243 . 1 1 105 105 LEU H H 1 8.074 0.030 . 1 . . . . 105 LEU H . 11107 1 1244 . 1 1 105 105 LEU HA H 1 3.865 0.030 . 1 . . . . 105 LEU HA . 11107 1 1245 . 1 1 105 105 LEU HB2 H 1 2.153 0.030 . 2 . . . . 105 LEU HB2 . 11107 1 1246 . 1 1 105 105 LEU HB3 H 1 1.519 0.030 . 2 . . . . 105 LEU HB3 . 11107 1 1247 . 1 1 105 105 LEU HD11 H 1 0.940 0.030 . 1 . . . . 105 LEU HD1 . 11107 1 1248 . 1 1 105 105 LEU HD12 H 1 0.940 0.030 . 1 . . . . 105 LEU HD1 . 11107 1 1249 . 1 1 105 105 LEU HD13 H 1 0.940 0.030 . 1 . . . . 105 LEU HD1 . 11107 1 1250 . 1 1 105 105 LEU HD21 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 11107 1 1251 . 1 1 105 105 LEU HD22 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 11107 1 1252 . 1 1 105 105 LEU HD23 H 1 0.874 0.030 . 1 . . . . 105 LEU HD2 . 11107 1 1253 . 1 1 105 105 LEU HG H 1 2.002 0.030 . 1 . . . . 105 LEU HG . 11107 1 1254 . 1 1 105 105 LEU C C 13 177.587 0.300 . 1 . . . . 105 LEU C . 11107 1 1255 . 1 1 105 105 LEU CA C 13 58.040 0.300 . 1 . . . . 105 LEU CA . 11107 1 1256 . 1 1 105 105 LEU CB C 13 43.354 0.300 . 1 . . . . 105 LEU CB . 11107 1 1257 . 1 1 105 105 LEU CD1 C 13 26.705 0.300 . 2 . . . . 105 LEU CD1 . 11107 1 1258 . 1 1 105 105 LEU CD2 C 13 23.927 0.300 . 2 . . . . 105 LEU CD2 . 11107 1 1259 . 1 1 105 105 LEU CG C 13 25.833 0.300 . 1 . . . . 105 LEU CG . 11107 1 1260 . 1 1 105 105 LEU N N 15 122.126 0.300 . 1 . . . . 105 LEU N . 11107 1 1261 . 1 1 106 106 HIS H H 1 8.668 0.030 . 1 . . . . 106 HIS H . 11107 1 1262 . 1 1 106 106 HIS HA H 1 4.089 0.030 . 1 . . . . 106 HIS HA . 11107 1 1263 . 1 1 106 106 HIS HB2 H 1 3.312 0.030 . 2 . . . . 106 HIS HB2 . 11107 1 1264 . 1 1 106 106 HIS HB3 H 1 2.928 0.030 . 2 . . . . 106 HIS HB3 . 11107 1 1265 . 1 1 106 106 HIS HD2 H 1 6.298 0.030 . 1 . . . . 106 HIS HD2 . 11107 1 1266 . 1 1 106 106 HIS HE1 H 1 7.619 0.030 . 1 . . . . 106 HIS HE1 . 11107 1 1267 . 1 1 106 106 HIS C C 13 177.316 0.300 . 1 . . . . 106 HIS C . 11107 1 1268 . 1 1 106 106 HIS CA C 13 61.165 0.300 . 1 . . . . 106 HIS CA . 11107 1 1269 . 1 1 106 106 HIS CB C 13 32.587 0.300 . 1 . . . . 106 HIS CB . 11107 1 1270 . 1 1 106 106 HIS CD2 C 13 116.501 0.300 . 1 . . . . 106 HIS CD2 . 11107 1 1271 . 1 1 106 106 HIS CE1 C 13 137.969 0.300 . 1 . . . . 106 HIS CE1 . 11107 1 1272 . 1 1 106 106 HIS N N 15 119.745 0.300 . 1 . . . . 106 HIS N . 11107 1 1273 . 1 1 107 107 ARG H H 1 8.662 0.030 . 1 . . . . 107 ARG H . 11107 1 1274 . 1 1 107 107 ARG HA H 1 3.810 0.030 . 1 . . . . 107 ARG HA . 11107 1 1275 . 1 1 107 107 ARG HB2 H 1 2.001 0.030 . 2 . . . . 107 ARG HB2 . 11107 1 1276 . 1 1 107 107 ARG HB3 H 1 1.890 0.030 . 2 . . . . 107 ARG HB3 . 11107 1 1277 . 1 1 107 107 ARG HD2 H 1 3.274 0.030 . 2 . . . . 107 ARG HD2 . 11107 1 1278 . 1 1 107 107 ARG HD3 H 1 3.179 0.030 . 2 . . . . 107 ARG HD3 . 11107 1 1279 . 1 1 107 107 ARG HG2 H 1 1.959 0.030 . 2 . . . . 107 ARG HG2 . 11107 1 1280 . 1 1 107 107 ARG HG3 H 1 1.656 0.030 . 2 . . . . 107 ARG HG3 . 11107 1 1281 . 1 1 107 107 ARG C C 13 179.290 0.300 . 1 . . . . 107 ARG C . 11107 1 1282 . 1 1 107 107 ARG CA C 13 59.528 0.300 . 1 . . . . 107 ARG CA . 11107 1 1283 . 1 1 107 107 ARG CB C 13 30.401 0.300 . 1 . . . . 107 ARG CB . 11107 1 1284 . 1 1 107 107 ARG CD C 13 43.554 0.300 . 1 . . . . 107 ARG CD . 11107 1 1285 . 1 1 107 107 ARG CG C 13 28.596 0.300 . 1 . . . . 107 ARG CG . 11107 1 1286 . 1 1 107 107 ARG N N 15 115.945 0.300 . 1 . . . . 107 ARG N . 11107 1 1287 . 1 1 108 108 PHE H H 1 7.896 0.030 . 1 . . . . 108 PHE H . 11107 1 1288 . 1 1 108 108 PHE HA H 1 4.263 0.030 . 1 . . . . 108 PHE HA . 11107 1 1289 . 1 1 108 108 PHE HB2 H 1 3.115 0.030 . 2 . . . . 108 PHE HB2 . 11107 1 1290 . 1 1 108 108 PHE HB3 H 1 2.987 0.030 . 2 . . . . 108 PHE HB3 . 11107 1 1291 . 1 1 108 108 PHE HD1 H 1 6.831 0.030 . 1 . . . . 108 PHE HD1 . 11107 1 1292 . 1 1 108 108 PHE HD2 H 1 6.831 0.030 . 1 . . . . 108 PHE HD2 . 11107 1 1293 . 1 1 108 108 PHE HE1 H 1 6.940 0.030 . 1 . . . . 108 PHE HE1 . 11107 1 1294 . 1 1 108 108 PHE HE2 H 1 6.940 0.030 . 1 . . . . 108 PHE HE2 . 11107 1 1295 . 1 1 108 108 PHE HZ H 1 6.960 0.030 . 1 . . . . 108 PHE HZ . 11107 1 1296 . 1 1 108 108 PHE C C 13 177.564 0.300 . 1 . . . . 108 PHE C . 11107 1 1297 . 1 1 108 108 PHE CA C 13 61.327 0.300 . 1 . . . . 108 PHE CA . 11107 1 1298 . 1 1 108 108 PHE CB C 13 38.387 0.300 . 1 . . . . 108 PHE CB . 11107 1 1299 . 1 1 108 108 PHE CD1 C 13 132.596 0.300 . 1 . . . . 108 PHE CD1 . 11107 1 1300 . 1 1 108 108 PHE CD2 C 13 132.596 0.300 . 1 . . . . 108 PHE CD2 . 11107 1 1301 . 1 1 108 108 PHE CE1 C 13 131.129 0.300 . 1 . . . . 108 PHE CE1 . 11107 1 1302 . 1 1 108 108 PHE CE2 C 13 131.129 0.300 . 1 . . . . 108 PHE CE2 . 11107 1 1303 . 1 1 108 108 PHE CZ C 13 129.294 0.300 . 1 . . . . 108 PHE CZ . 11107 1 1304 . 1 1 108 108 PHE N N 15 120.491 0.300 . 1 . . . . 108 PHE N . 11107 1 1305 . 1 1 109 109 VAL H H 1 7.412 0.030 . 1 . . . . 109 VAL H . 11107 1 1306 . 1 1 109 109 VAL HA H 1 2.689 0.030 . 1 . . . . 109 VAL HA . 11107 1 1307 . 1 1 109 109 VAL HB H 1 2.049 0.030 . 1 . . . . 109 VAL HB . 11107 1 1308 . 1 1 109 109 VAL HG11 H 1 0.324 0.030 . 1 . . . . 109 VAL HG1 . 11107 1 1309 . 1 1 109 109 VAL HG12 H 1 0.324 0.030 . 1 . . . . 109 VAL HG1 . 11107 1 1310 . 1 1 109 109 VAL HG13 H 1 0.324 0.030 . 1 . . . . 109 VAL HG1 . 11107 1 1311 . 1 1 109 109 VAL HG21 H 1 0.707 0.030 . 1 . . . . 109 VAL HG2 . 11107 1 1312 . 1 1 109 109 VAL HG22 H 1 0.707 0.030 . 1 . . . . 109 VAL HG2 . 11107 1 1313 . 1 1 109 109 VAL HG23 H 1 0.707 0.030 . 1 . . . . 109 VAL HG2 . 11107 1 1314 . 1 1 109 109 VAL C C 13 177.256 0.300 . 1 . . . . 109 VAL C . 11107 1 1315 . 1 1 109 109 VAL CA C 13 67.128 0.300 . 1 . . . . 109 VAL CA . 11107 1 1316 . 1 1 109 109 VAL CB C 13 31.271 0.300 . 1 . . . . 109 VAL CB . 11107 1 1317 . 1 1 109 109 VAL CG1 C 13 21.934 0.300 . 2 . . . . 109 VAL CG1 . 11107 1 1318 . 1 1 109 109 VAL CG2 C 13 24.137 0.300 . 2 . . . . 109 VAL CG2 . 11107 1 1319 . 1 1 109 109 VAL N N 15 119.498 0.300 . 1 . . . . 109 VAL N . 11107 1 1320 . 1 1 110 110 LEU H H 1 7.666 0.030 . 1 . . . . 110 LEU H . 11107 1 1321 . 1 1 110 110 LEU HA H 1 3.789 0.030 . 1 . . . . 110 LEU HA . 11107 1 1322 . 1 1 110 110 LEU HB2 H 1 1.642 0.030 . 2 . . . . 110 LEU HB2 . 11107 1 1323 . 1 1 110 110 LEU HB3 H 1 1.443 0.030 . 2 . . . . 110 LEU HB3 . 11107 1 1324 . 1 1 110 110 LEU HD11 H 1 0.604 0.030 . 1 . . . . 110 LEU HD1 . 11107 1 1325 . 1 1 110 110 LEU HD12 H 1 0.604 0.030 . 1 . . . . 110 LEU HD1 . 11107 1 1326 . 1 1 110 110 LEU HD13 H 1 0.604 0.030 . 1 . . . . 110 LEU HD1 . 11107 1 1327 . 1 1 110 110 LEU HD21 H 1 0.822 0.030 . 1 . . . . 110 LEU HD2 . 11107 1 1328 . 1 1 110 110 LEU HD22 H 1 0.822 0.030 . 1 . . . . 110 LEU HD2 . 11107 1 1329 . 1 1 110 110 LEU HD23 H 1 0.822 0.030 . 1 . . . . 110 LEU HD2 . 11107 1 1330 . 1 1 110 110 LEU HG H 1 1.583 0.030 . 1 . . . . 110 LEU HG . 11107 1 1331 . 1 1 110 110 LEU C C 13 179.175 0.300 . 1 . . . . 110 LEU C . 11107 1 1332 . 1 1 110 110 LEU CA C 13 57.665 0.300 . 1 . . . . 110 LEU CA . 11107 1 1333 . 1 1 110 110 LEU CB C 13 41.302 0.300 . 1 . . . . 110 LEU CB . 11107 1 1334 . 1 1 110 110 LEU CD1 C 13 25.275 0.300 . 2 . . . . 110 LEU CD1 . 11107 1 1335 . 1 1 110 110 LEU CD2 C 13 23.410 0.300 . 2 . . . . 110 LEU CD2 . 11107 1 1336 . 1 1 110 110 LEU CG C 13 26.992 0.300 . 1 . . . . 110 LEU CG . 11107 1 1337 . 1 1 110 110 LEU N N 15 115.260 0.300 . 1 . . . . 110 LEU N . 11107 1 1338 . 1 1 111 111 SER H H 1 7.927 0.030 . 1 . . . . 111 SER H . 11107 1 1339 . 1 1 111 111 SER HA H 1 4.196 0.030 . 1 . . . . 111 SER HA . 11107 1 1340 . 1 1 111 111 SER HB2 H 1 3.913 0.030 . 1 . . . . 111 SER HB2 . 11107 1 1341 . 1 1 111 111 SER HB3 H 1 3.913 0.030 . 1 . . . . 111 SER HB3 . 11107 1 1342 . 1 1 111 111 SER C C 13 175.796 0.300 . 1 . . . . 111 SER C . 11107 1 1343 . 1 1 111 111 SER CA C 13 60.536 0.300 . 1 . . . . 111 SER CA . 11107 1 1344 . 1 1 111 111 SER CB C 13 63.244 0.300 . 1 . . . . 111 SER CB . 11107 1 1345 . 1 1 111 111 SER N N 15 113.107 0.300 . 1 . . . . 111 SER N . 11107 1 1346 . 1 1 112 112 GLN H H 1 7.552 0.030 . 1 . . . . 112 GLN H . 11107 1 1347 . 1 1 112 112 GLN HA H 1 3.964 0.030 . 1 . . . . 112 GLN HA . 11107 1 1348 . 1 1 112 112 GLN HB2 H 1 1.845 0.030 . 2 . . . . 112 GLN HB2 . 11107 1 1349 . 1 1 112 112 GLN HB3 H 1 1.367 0.030 . 2 . . . . 112 GLN HB3 . 11107 1 1350 . 1 1 112 112 GLN HE21 H 1 6.715 0.030 . 2 . . . . 112 GLN HE21 . 11107 1 1351 . 1 1 112 112 GLN HE22 H 1 6.571 0.030 . 2 . . . . 112 GLN HE22 . 11107 1 1352 . 1 1 112 112 GLN HG2 H 1 1.971 0.030 . 2 . . . . 112 GLN HG2 . 11107 1 1353 . 1 1 112 112 GLN HG3 H 1 1.447 0.030 . 2 . . . . 112 GLN HG3 . 11107 1 1354 . 1 1 112 112 GLN C C 13 176.341 0.300 . 1 . . . . 112 GLN C . 11107 1 1355 . 1 1 112 112 GLN CA C 13 55.456 0.300 . 1 . . . . 112 GLN CA . 11107 1 1356 . 1 1 112 112 GLN CB C 13 28.303 0.300 . 1 . . . . 112 GLN CB . 11107 1 1357 . 1 1 112 112 GLN CG C 13 33.725 0.300 . 1 . . . . 112 GLN CG . 11107 1 1358 . 1 1 112 112 GLN N N 15 118.682 0.300 . 1 . . . . 112 GLN N . 11107 1 1359 . 1 1 112 112 GLN NE2 N 15 114.020 0.300 . 1 . . . . 112 GLN NE2 . 11107 1 1360 . 1 1 113 113 ALA H H 1 7.670 0.030 . 1 . . . . 113 ALA H . 11107 1 1361 . 1 1 113 113 ALA HA H 1 4.085 0.030 . 1 . . . . 113 ALA HA . 11107 1 1362 . 1 1 113 113 ALA HB1 H 1 1.295 0.030 . 1 . . . . 113 ALA HB . 11107 1 1363 . 1 1 113 113 ALA HB2 H 1 1.295 0.030 . 1 . . . . 113 ALA HB . 11107 1 1364 . 1 1 113 113 ALA HB3 H 1 1.295 0.030 . 1 . . . . 113 ALA HB . 11107 1 1365 . 1 1 113 113 ALA C C 13 176.990 0.300 . 1 . . . . 113 ALA C . 11107 1 1366 . 1 1 113 113 ALA CA C 13 52.823 0.300 . 1 . . . . 113 ALA CA . 11107 1 1367 . 1 1 113 113 ALA CB C 13 19.391 0.300 . 1 . . . . 113 ALA CB . 11107 1 1368 . 1 1 113 113 ALA N N 15 120.502 0.300 . 1 . . . . 113 ALA N . 11107 1 1369 . 1 1 114 114 LYS H H 1 7.502 0.030 . 1 . . . . 114 LYS H . 11107 1 1370 . 1 1 114 114 LYS HA H 1 4.193 0.030 . 1 . . . . 114 LYS HA . 11107 1 1371 . 1 1 114 114 LYS HB2 H 1 1.817 0.030 . 2 . . . . 114 LYS HB2 . 11107 1 1372 . 1 1 114 114 LYS HB3 H 1 1.731 0.030 . 2 . . . . 114 LYS HB3 . 11107 1 1373 . 1 1 114 114 LYS HD2 H 1 1.644 0.030 . 1 . . . . 114 LYS HD2 . 11107 1 1374 . 1 1 114 114 LYS HD3 H 1 1.644 0.030 . 1 . . . . 114 LYS HD3 . 11107 1 1375 . 1 1 114 114 LYS HE2 H 1 2.962 0.030 . 2 . . . . 114 LYS HE2 . 11107 1 1376 . 1 1 114 114 LYS HG2 H 1 1.386 0.030 . 2 . . . . 114 LYS HG2 . 11107 1 1377 . 1 1 114 114 LYS HG3 H 1 1.361 0.030 . 2 . . . . 114 LYS HG3 . 11107 1 1378 . 1 1 114 114 LYS C C 13 175.988 0.300 . 1 . . . . 114 LYS C . 11107 1 1379 . 1 1 114 114 LYS CA C 13 56.360 0.300 . 1 . . . . 114 LYS CA . 11107 1 1380 . 1 1 114 114 LYS CB C 13 33.237 0.300 . 1 . . . . 114 LYS CB . 11107 1 1381 . 1 1 114 114 LYS CD C 13 29.131 0.300 . 1 . . . . 114 LYS CD . 11107 1 1382 . 1 1 114 114 LYS CE C 13 42.155 0.300 . 1 . . . . 114 LYS CE . 11107 1 1383 . 1 1 114 114 LYS CG C 13 24.535 0.300 . 1 . . . . 114 LYS CG . 11107 1 1384 . 1 1 114 114 LYS N N 15 117.736 0.300 . 1 . . . . 114 LYS N . 11107 1 1385 . 1 1 115 115 ASP H H 1 8.147 0.030 . 1 . . . . 115 ASP H . 11107 1 1386 . 1 1 115 115 ASP HA H 1 4.559 0.030 . 1 . . . . 115 ASP HA . 11107 1 1387 . 1 1 115 115 ASP HB2 H 1 2.663 0.030 . 2 . . . . 115 ASP HB2 . 11107 1 1388 . 1 1 115 115 ASP HB3 H 1 2.513 0.030 . 2 . . . . 115 ASP HB3 . 11107 1 1389 . 1 1 115 115 ASP C C 13 175.926 0.300 . 1 . . . . 115 ASP C . 11107 1 1390 . 1 1 115 115 ASP CA C 13 54.546 0.300 . 1 . . . . 115 ASP CA . 11107 1 1391 . 1 1 115 115 ASP CB C 13 41.316 0.300 . 1 . . . . 115 ASP CB . 11107 1 1392 . 1 1 115 115 ASP N N 15 121.068 0.300 . 1 . . . . 115 ASP N . 11107 1 1393 . 1 1 116 116 GLU H H 1 8.231 0.030 . 1 . . . . 116 GLU H . 11107 1 1394 . 1 1 116 116 GLU HA H 1 4.274 0.030 . 1 . . . . 116 GLU HA . 11107 1 1395 . 1 1 116 116 GLU HB2 H 1 2.045 0.030 . 2 . . . . 116 GLU HB2 . 11107 1 1396 . 1 1 116 116 GLU HB3 H 1 1.864 0.030 . 2 . . . . 116 GLU HB3 . 11107 1 1397 . 1 1 116 116 GLU HG2 H 1 2.241 0.030 . 2 . . . . 116 GLU HG2 . 11107 1 1398 . 1 1 116 116 GLU HG3 H 1 2.183 0.030 . 2 . . . . 116 GLU HG3 . 11107 1 1399 . 1 1 116 116 GLU C C 13 175.342 0.300 . 1 . . . . 116 GLU C . 11107 1 1400 . 1 1 116 116 GLU CA C 13 56.268 0.300 . 1 . . . . 116 GLU CA . 11107 1 1401 . 1 1 116 116 GLU CB C 13 30.518 0.300 . 1 . . . . 116 GLU CB . 11107 1 1402 . 1 1 116 116 GLU CG C 13 36.296 0.300 . 1 . . . . 116 GLU CG . 11107 1 1403 . 1 1 116 116 GLU N N 15 121.103 0.300 . 1 . . . . 116 GLU N . 11107 1 1404 . 1 1 117 117 LEU H H 1 7.882 0.030 . 1 . . . . 117 LEU H . 11107 1 1405 . 1 1 117 117 LEU HA H 1 4.133 0.030 . 1 . . . . 117 LEU HA . 11107 1 1406 . 1 1 117 117 LEU HB2 H 1 1.562 0.030 . 1 . . . . 117 LEU HB2 . 11107 1 1407 . 1 1 117 117 LEU HB3 H 1 1.562 0.030 . 1 . . . . 117 LEU HB3 . 11107 1 1408 . 1 1 117 117 LEU HD11 H 1 0.882 0.030 . 1 . . . . 117 LEU HD1 . 11107 1 1409 . 1 1 117 117 LEU HD12 H 1 0.882 0.030 . 1 . . . . 117 LEU HD1 . 11107 1 1410 . 1 1 117 117 LEU HD13 H 1 0.882 0.030 . 1 . . . . 117 LEU HD1 . 11107 1 1411 . 1 1 117 117 LEU HD21 H 1 0.833 0.030 . 1 . . . . 117 LEU HD2 . 11107 1 1412 . 1 1 117 117 LEU HD22 H 1 0.833 0.030 . 1 . . . . 117 LEU HD2 . 11107 1 1413 . 1 1 117 117 LEU HD23 H 1 0.833 0.030 . 1 . . . . 117 LEU HD2 . 11107 1 1414 . 1 1 117 117 LEU HG H 1 1.562 0.030 . 1 . . . . 117 LEU HG . 11107 1 1415 . 1 1 117 117 LEU C C 13 182.544 0.300 . 1 . . . . 117 LEU C . 11107 1 1416 . 1 1 117 117 LEU CA C 13 56.788 0.300 . 1 . . . . 117 LEU CA . 11107 1 1417 . 1 1 117 117 LEU CB C 13 43.348 0.300 . 1 . . . . 117 LEU CB . 11107 1 1418 . 1 1 117 117 LEU CD1 C 13 25.381 0.300 . 2 . . . . 117 LEU CD1 . 11107 1 1419 . 1 1 117 117 LEU CD2 C 13 23.542 0.300 . 2 . . . . 117 LEU CD2 . 11107 1 1420 . 1 1 117 117 LEU CG C 13 27.327 0.300 . 1 . . . . 117 LEU CG . 11107 1 1421 . 1 1 117 117 LEU N N 15 128.892 0.300 . 1 . . . . 117 LEU N . 11107 1 stop_ save_