data_10074 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10074 _Entry.Title ; The first C2 domain of human synaptotagmin XIII ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-27 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Nagashima . . . 10074 2 F. Hayashi . . . 10074 3 S. Yokoyama . . . 10074 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10074 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10074 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 10074 '15N chemical shifts' 126 10074 '1H chemical shifts' 861 10074 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 . . 2008-08-14 2006-12-25 original author . 10074 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFM 'BMRB Entry Tracking System' 10074 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10074 _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 first C2 domain of human synaptotagmin XIII' _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 T. Nagashima . . . 10074 1 2 F. Hayashi . . . 10074 1 3 S. Yokoyama . . . 10074 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10074 _Assembly.ID 1 _Assembly.Name 'synaptotagmin XIII' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10074 1 stop_ 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 'synaptotagmin XIII' 1 $entity_1 . . yes native no no . . . 10074 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 . PDB 1WFM . . . . . . 10074 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10074 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSWNQAPKLHYCLD YDCQKAELFVTRLEAVTSNH DGGCDCYVQGSVANRTGSVE AQTALKKRQLHTTWEEGLVL PLAEEELPTATLTLTLRTCD RFSRHSVAGELRLGLDGTSV PLGAAQWGELKTSGPSSG ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2014-05-12 loop_ _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 no PDB 1WFM . "The First C2 Domain Of Human Synaptotagmin Xiii" . . . . . 100.00 138 100.00 100.00 1.39e-94 . . . . 10074 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2 domain' . 10074 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 . 10074 1 2 . SER . 10074 1 3 . SER . 10074 1 4 . GLY . 10074 1 5 . SER . 10074 1 6 . SER . 10074 1 7 . GLY . 10074 1 8 . SER . 10074 1 9 . TRP . 10074 1 10 . ASN . 10074 1 11 . GLN . 10074 1 12 . ALA . 10074 1 13 . PRO . 10074 1 14 . LYS . 10074 1 15 . LEU . 10074 1 16 . HIS . 10074 1 17 . TYR . 10074 1 18 . CYS . 10074 1 19 . LEU . 10074 1 20 . ASP . 10074 1 21 . TYR . 10074 1 22 . ASP . 10074 1 23 . CYS . 10074 1 24 . GLN . 10074 1 25 . LYS . 10074 1 26 . ALA . 10074 1 27 . GLU . 10074 1 28 . LEU . 10074 1 29 . PHE . 10074 1 30 . VAL . 10074 1 31 . THR . 10074 1 32 . ARG . 10074 1 33 . LEU . 10074 1 34 . GLU . 10074 1 35 . ALA . 10074 1 36 . VAL . 10074 1 37 . THR . 10074 1 38 . SER . 10074 1 39 . ASN . 10074 1 40 . HIS . 10074 1 41 . ASP . 10074 1 42 . GLY . 10074 1 43 . GLY . 10074 1 44 . CYS . 10074 1 45 . ASP . 10074 1 46 . CYS . 10074 1 47 . TYR . 10074 1 48 . VAL . 10074 1 49 . GLN . 10074 1 50 . GLY . 10074 1 51 . SER . 10074 1 52 . VAL . 10074 1 53 . ALA . 10074 1 54 . ASN . 10074 1 55 . ARG . 10074 1 56 . THR . 10074 1 57 . GLY . 10074 1 58 . SER . 10074 1 59 . VAL . 10074 1 60 . GLU . 10074 1 61 . ALA . 10074 1 62 . GLN . 10074 1 63 . THR . 10074 1 64 . ALA . 10074 1 65 . LEU . 10074 1 66 . LYS . 10074 1 67 . LYS . 10074 1 68 . ARG . 10074 1 69 . GLN . 10074 1 70 . LEU . 10074 1 71 . HIS . 10074 1 72 . THR . 10074 1 73 . THR . 10074 1 74 . TRP . 10074 1 75 . GLU . 10074 1 76 . GLU . 10074 1 77 . GLY . 10074 1 78 . LEU . 10074 1 79 . VAL . 10074 1 80 . LEU . 10074 1 81 . PRO . 10074 1 82 . LEU . 10074 1 83 . ALA . 10074 1 84 . GLU . 10074 1 85 . GLU . 10074 1 86 . GLU . 10074 1 87 . LEU . 10074 1 88 . PRO . 10074 1 89 . THR . 10074 1 90 . ALA . 10074 1 91 . THR . 10074 1 92 . LEU . 10074 1 93 . THR . 10074 1 94 . LEU . 10074 1 95 . THR . 10074 1 96 . LEU . 10074 1 97 . ARG . 10074 1 98 . THR . 10074 1 99 . CYS . 10074 1 100 . ASP . 10074 1 101 . ARG . 10074 1 102 . PHE . 10074 1 103 . SER . 10074 1 104 . ARG . 10074 1 105 . HIS . 10074 1 106 . SER . 10074 1 107 . VAL . 10074 1 108 . ALA . 10074 1 109 . GLY . 10074 1 110 . GLU . 10074 1 111 . LEU . 10074 1 112 . ARG . 10074 1 113 . LEU . 10074 1 114 . GLY . 10074 1 115 . LEU . 10074 1 116 . ASP . 10074 1 117 . GLY . 10074 1 118 . THR . 10074 1 119 . SER . 10074 1 120 . VAL . 10074 1 121 . PRO . 10074 1 122 . LEU . 10074 1 123 . GLY . 10074 1 124 . ALA . 10074 1 125 . ALA . 10074 1 126 . GLN . 10074 1 127 . TRP . 10074 1 128 . GLY . 10074 1 129 . GLU . 10074 1 130 . LEU . 10074 1 131 . LYS . 10074 1 132 . THR . 10074 1 133 . SER . 10074 1 134 . GLY . 10074 1 135 . PRO . 10074 1 136 . SER . 10074 1 137 . SER . 10074 1 138 . GLY . 10074 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 10074 1 . SER 2 2 10074 1 . SER 3 3 10074 1 . GLY 4 4 10074 1 . SER 5 5 10074 1 . SER 6 6 10074 1 . GLY 7 7 10074 1 . SER 8 8 10074 1 . TRP 9 9 10074 1 . ASN 10 10 10074 1 . GLN 11 11 10074 1 . ALA 12 12 10074 1 . PRO 13 13 10074 1 . LYS 14 14 10074 1 . LEU 15 15 10074 1 . HIS 16 16 10074 1 . TYR 17 17 10074 1 . CYS 18 18 10074 1 . LEU 19 19 10074 1 . ASP 20 20 10074 1 . TYR 21 21 10074 1 . ASP 22 22 10074 1 . CYS 23 23 10074 1 . GLN 24 24 10074 1 . LYS 25 25 10074 1 . ALA 26 26 10074 1 . GLU 27 27 10074 1 . LEU 28 28 10074 1 . PHE 29 29 10074 1 . VAL 30 30 10074 1 . THR 31 31 10074 1 . ARG 32 32 10074 1 . LEU 33 33 10074 1 . GLU 34 34 10074 1 . ALA 35 35 10074 1 . VAL 36 36 10074 1 . THR 37 37 10074 1 . SER 38 38 10074 1 . ASN 39 39 10074 1 . HIS 40 40 10074 1 . ASP 41 41 10074 1 . GLY 42 42 10074 1 . GLY 43 43 10074 1 . CYS 44 44 10074 1 . ASP 45 45 10074 1 . CYS 46 46 10074 1 . TYR 47 47 10074 1 . VAL 48 48 10074 1 . GLN 49 49 10074 1 . GLY 50 50 10074 1 . SER 51 51 10074 1 . VAL 52 52 10074 1 . ALA 53 53 10074 1 . ASN 54 54 10074 1 . ARG 55 55 10074 1 . THR 56 56 10074 1 . GLY 57 57 10074 1 . SER 58 58 10074 1 . VAL 59 59 10074 1 . GLU 60 60 10074 1 . ALA 61 61 10074 1 . GLN 62 62 10074 1 . THR 63 63 10074 1 . ALA 64 64 10074 1 . LEU 65 65 10074 1 . LYS 66 66 10074 1 . LYS 67 67 10074 1 . ARG 68 68 10074 1 . GLN 69 69 10074 1 . LEU 70 70 10074 1 . HIS 71 71 10074 1 . THR 72 72 10074 1 . THR 73 73 10074 1 . TRP 74 74 10074 1 . GLU 75 75 10074 1 . GLU 76 76 10074 1 . GLY 77 77 10074 1 . LEU 78 78 10074 1 . VAL 79 79 10074 1 . LEU 80 80 10074 1 . PRO 81 81 10074 1 . LEU 82 82 10074 1 . ALA 83 83 10074 1 . GLU 84 84 10074 1 . GLU 85 85 10074 1 . GLU 86 86 10074 1 . LEU 87 87 10074 1 . PRO 88 88 10074 1 . THR 89 89 10074 1 . ALA 90 90 10074 1 . THR 91 91 10074 1 . LEU 92 92 10074 1 . THR 93 93 10074 1 . LEU 94 94 10074 1 . THR 95 95 10074 1 . LEU 96 96 10074 1 . ARG 97 97 10074 1 . THR 98 98 10074 1 . CYS 99 99 10074 1 . ASP 100 100 10074 1 . ARG 101 101 10074 1 . PHE 102 102 10074 1 . SER 103 103 10074 1 . ARG 104 104 10074 1 . HIS 105 105 10074 1 . SER 106 106 10074 1 . VAL 107 107 10074 1 . ALA 108 108 10074 1 . GLY 109 109 10074 1 . GLU 110 110 10074 1 . LEU 111 111 10074 1 . ARG 112 112 10074 1 . LEU 113 113 10074 1 . GLY 114 114 10074 1 . LEU 115 115 10074 1 . ASP 116 116 10074 1 . GLY 117 117 10074 1 . THR 118 118 10074 1 . SER 119 119 10074 1 . VAL 120 120 10074 1 . PRO 121 121 10074 1 . LEU 122 122 10074 1 . GLY 123 123 10074 1 . ALA 124 124 10074 1 . ALA 125 125 10074 1 . GLN 126 126 10074 1 . TRP 127 127 10074 1 . GLY 128 128 10074 1 . GLU 129 129 10074 1 . LEU 130 130 10074 1 . LYS 131 131 10074 1 . THR 132 132 10074 1 . SER 133 133 10074 1 . GLY 134 134 10074 1 . PRO 135 135 10074 1 . SER 136 136 10074 1 . SER 137 137 10074 1 . GLY 138 138 10074 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 10074 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10074 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 10074 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040113-87 . . . . . . 10074 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10074 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C2 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.07 . . mM . . . . 10074 1 2 d-TRIS . . . . . . buffer 20 . . mM . . . . 10074 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10074 1 4 d-DTT . . . . . . salt 5 . . mM . . . . 10074 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10074 1 6 H2O . . . . . . solvent 90 . . % . . . . 10074 1 7 D2O . . . . . . solvent 10 . . % . . . . 10074 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 10074 _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 10074 1 pH 7.0 0.05 pH 10074 1 pressure 1 0.001 atm 10074 1 temperature 298 0.1 K 10074 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10074 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 10074 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10074 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10074 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10074 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10074 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10074 _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.' . . 10074 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10074 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10074 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8992 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10074 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10074 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10074 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10074 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10074 5 refinement 10074 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 10074 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10074 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10074 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10074 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10074 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10074 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10074 _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 . . . . . . . . . 10074 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10074 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10074 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 10074 _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 13C-separated NOESY' 1 $sample_1 isotropic 10074 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10074 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 9 9 TRP HA H 1 4.641 0.030 . 1 . . . . 9 TRP HA . 10074 1 2 . 1 1 9 9 TRP HB2 H 1 3.262 0.030 . 2 . . . . 9 TRP HB2 . 10074 1 3 . 1 1 9 9 TRP HB3 H 1 3.236 0.030 . 2 . . . . 9 TRP HB3 . 10074 1 4 . 1 1 9 9 TRP HD1 H 1 7.202 0.030 . 1 . . . . 9 TRP HD1 . 10074 1 5 . 1 1 9 9 TRP HE1 H 1 10.086 0.030 . 1 . . . . 9 TRP HE1 . 10074 1 6 . 1 1 9 9 TRP HE3 H 1 7.554 0.030 . 1 . . . . 9 TRP HE3 . 10074 1 7 . 1 1 9 9 TRP HZ2 H 1 7.382 0.030 . 1 . . . . 9 TRP HZ2 . 10074 1 8 . 1 1 9 9 TRP HZ3 H 1 7.069 0.030 . 1 . . . . 9 TRP HZ3 . 10074 1 9 . 1 1 9 9 TRP HH2 H 1 7.105 0.030 . 1 . . . . 9 TRP HH2 . 10074 1 10 . 1 1 9 9 TRP CA C 13 57.489 0.300 . 1 . . . . 9 TRP CA . 10074 1 11 . 1 1 9 9 TRP CB C 13 29.454 0.300 . 1 . . . . 9 TRP CB . 10074 1 12 . 1 1 9 9 TRP CD1 C 13 127.088 0.300 . 1 . . . . 9 TRP CD1 . 10074 1 13 . 1 1 9 9 TRP CE3 C 13 120.852 0.300 . 1 . . . . 9 TRP CE3 . 10074 1 14 . 1 1 9 9 TRP CZ2 C 13 114.516 0.300 . 1 . . . . 9 TRP CZ2 . 10074 1 15 . 1 1 9 9 TRP CZ3 C 13 121.964 0.300 . 1 . . . . 9 TRP CZ3 . 10074 1 16 . 1 1 9 9 TRP CH2 C 13 124.504 0.300 . 1 . . . . 9 TRP CH2 . 10074 1 17 . 1 1 9 9 TRP NE1 N 15 129.519 0.300 . 1 . . . . 9 TRP NE1 . 10074 1 18 . 1 1 11 11 GLN HA H 1 4.181 0.030 . 1 . . . . 11 GLN HA . 10074 1 19 . 1 1 11 11 GLN HB2 H 1 2.018 0.030 . 2 . . . . 11 GLN HB2 . 10074 1 20 . 1 1 11 11 GLN HB3 H 1 1.800 0.030 . 2 . . . . 11 GLN HB3 . 10074 1 21 . 1 1 11 11 GLN HG2 H 1 2.160 0.030 . 1 . . . . 11 GLN HG2 . 10074 1 22 . 1 1 11 11 GLN HG3 H 1 2.160 0.030 . 1 . . . . 11 GLN HG3 . 10074 1 23 . 1 1 11 11 GLN HE21 H 1 7.462 0.030 . 2 . . . . 11 GLN HE21 . 10074 1 24 . 1 1 11 11 GLN HE22 H 1 6.781 0.030 . 2 . . . . 11 GLN HE22 . 10074 1 25 . 1 1 11 11 GLN C C 13 175.026 0.300 . 1 . . . . 11 GLN C . 10074 1 26 . 1 1 11 11 GLN CA C 13 55.302 0.300 . 1 . . . . 11 GLN CA . 10074 1 27 . 1 1 11 11 GLN CB C 13 29.693 0.300 . 1 . . . . 11 GLN CB . 10074 1 28 . 1 1 11 11 GLN CG C 13 33.732 0.300 . 1 . . . . 11 GLN CG . 10074 1 29 . 1 1 11 11 GLN NE2 N 15 112.588 0.300 . 1 . . . . 11 GLN NE2 . 10074 1 30 . 1 1 12 12 ALA H H 1 8.217 0.030 . 1 . . . . 12 ALA H . 10074 1 31 . 1 1 12 12 ALA HA H 1 4.542 0.030 . 1 . . . . 12 ALA HA . 10074 1 32 . 1 1 12 12 ALA HB1 H 1 1.435 0.030 . 1 . . . . 12 ALA HB . 10074 1 33 . 1 1 12 12 ALA HB2 H 1 1.435 0.030 . 1 . . . . 12 ALA HB . 10074 1 34 . 1 1 12 12 ALA HB3 H 1 1.435 0.030 . 1 . . . . 12 ALA HB . 10074 1 35 . 1 1 12 12 ALA C C 13 175.375 0.300 . 1 . . . . 12 ALA C . 10074 1 36 . 1 1 12 12 ALA CA C 13 50.810 0.300 . 1 . . . . 12 ALA CA . 10074 1 37 . 1 1 12 12 ALA CB C 13 18.039 0.300 . 1 . . . . 12 ALA CB . 10074 1 38 . 1 1 12 12 ALA N N 15 127.011 0.300 . 1 . . . . 12 ALA N . 10074 1 39 . 1 1 13 13 PRO HA H 1 4.879 0.030 . 1 . . . . 13 PRO HA . 10074 1 40 . 1 1 13 13 PRO HB2 H 1 2.389 0.030 . 2 . . . . 13 PRO HB2 . 10074 1 41 . 1 1 13 13 PRO HB3 H 1 1.869 0.030 . 2 . . . . 13 PRO HB3 . 10074 1 42 . 1 1 13 13 PRO HG2 H 1 2.147 0.030 . 2 . . . . 13 PRO HG2 . 10074 1 43 . 1 1 13 13 PRO HG3 H 1 2.084 0.030 . 2 . . . . 13 PRO HG3 . 10074 1 44 . 1 1 13 13 PRO HD2 H 1 3.894 0.030 . 2 . . . . 13 PRO HD2 . 10074 1 45 . 1 1 13 13 PRO HD3 H 1 3.766 0.030 . 2 . . . . 13 PRO HD3 . 10074 1 46 . 1 1 13 13 PRO C C 13 175.666 0.300 . 1 . . . . 13 PRO C . 10074 1 47 . 1 1 13 13 PRO CA C 13 62.880 0.300 . 1 . . . . 13 PRO CA . 10074 1 48 . 1 1 13 13 PRO CB C 13 32.364 0.300 . 1 . . . . 13 PRO CB . 10074 1 49 . 1 1 13 13 PRO CG C 13 27.283 0.300 . 1 . . . . 13 PRO CG . 10074 1 50 . 1 1 13 13 PRO CD C 13 50.379 0.300 . 1 . . . . 13 PRO CD . 10074 1 51 . 1 1 14 14 LYS H H 1 8.507 0.030 . 1 . . . . 14 LYS H . 10074 1 52 . 1 1 14 14 LYS HA H 1 5.407 0.030 . 1 . . . . 14 LYS HA . 10074 1 53 . 1 1 14 14 LYS HB2 H 1 2.092 0.030 . 2 . . . . 14 LYS HB2 . 10074 1 54 . 1 1 14 14 LYS HB3 H 1 1.724 0.030 . 2 . . . . 14 LYS HB3 . 10074 1 55 . 1 1 14 14 LYS HG2 H 1 1.506 0.030 . 2 . . . . 14 LYS HG2 . 10074 1 56 . 1 1 14 14 LYS HG3 H 1 1.396 0.030 . 2 . . . . 14 LYS HG3 . 10074 1 57 . 1 1 14 14 LYS HD2 H 1 1.403 0.030 . 2 . . . . 14 LYS HD2 . 10074 1 58 . 1 1 14 14 LYS HD3 H 1 1.217 0.030 . 2 . . . . 14 LYS HD3 . 10074 1 59 . 1 1 14 14 LYS HE2 H 1 2.504 0.030 . 2 . . . . 14 LYS HE2 . 10074 1 60 . 1 1 14 14 LYS HE3 H 1 2.318 0.030 . 2 . . . . 14 LYS HE3 . 10074 1 61 . 1 1 14 14 LYS C C 13 174.459 0.300 . 1 . . . . 14 LYS C . 10074 1 62 . 1 1 14 14 LYS CA C 13 54.949 0.300 . 1 . . . . 14 LYS CA . 10074 1 63 . 1 1 14 14 LYS CB C 13 37.926 0.300 . 1 . . . . 14 LYS CB . 10074 1 64 . 1 1 14 14 LYS CG C 13 24.683 0.300 . 1 . . . . 14 LYS CG . 10074 1 65 . 1 1 14 14 LYS CD C 13 29.513 0.300 . 1 . . . . 14 LYS CD . 10074 1 66 . 1 1 14 14 LYS CE C 13 41.836 0.300 . 1 . . . . 14 LYS CE . 10074 1 67 . 1 1 14 14 LYS N N 15 117.505 0.300 . 1 . . . . 14 LYS N . 10074 1 68 . 1 1 15 15 LEU H H 1 9.306 0.030 . 1 . . . . 15 LEU H . 10074 1 69 . 1 1 15 15 LEU HA H 1 5.706 0.030 . 1 . . . . 15 LEU HA . 10074 1 70 . 1 1 15 15 LEU HB2 H 1 1.866 0.030 . 2 . . . . 15 LEU HB2 . 10074 1 71 . 1 1 15 15 LEU HB3 H 1 1.289 0.030 . 2 . . . . 15 LEU HB3 . 10074 1 72 . 1 1 15 15 LEU HG H 1 1.906 0.030 . 1 . . . . 15 LEU HG . 10074 1 73 . 1 1 15 15 LEU HD11 H 1 0.737 0.030 . 1 . . . . 15 LEU HD1 . 10074 1 74 . 1 1 15 15 LEU HD12 H 1 0.737 0.030 . 1 . . . . 15 LEU HD1 . 10074 1 75 . 1 1 15 15 LEU HD13 H 1 0.737 0.030 . 1 . . . . 15 LEU HD1 . 10074 1 76 . 1 1 15 15 LEU HD21 H 1 0.998 0.030 . 1 . . . . 15 LEU HD2 . 10074 1 77 . 1 1 15 15 LEU HD22 H 1 0.998 0.030 . 1 . . . . 15 LEU HD2 . 10074 1 78 . 1 1 15 15 LEU HD23 H 1 0.998 0.030 . 1 . . . . 15 LEU HD2 . 10074 1 79 . 1 1 15 15 LEU C C 13 173.945 0.300 . 1 . . . . 15 LEU C . 10074 1 80 . 1 1 15 15 LEU CA C 13 53.137 0.300 . 1 . . . . 15 LEU CA . 10074 1 81 . 1 1 15 15 LEU CB C 13 48.081 0.300 . 1 . . . . 15 LEU CB . 10074 1 82 . 1 1 15 15 LEU CG C 13 26.942 0.300 . 1 . . . . 15 LEU CG . 10074 1 83 . 1 1 15 15 LEU CD1 C 13 27.445 0.300 . 2 . . . . 15 LEU CD1 . 10074 1 84 . 1 1 15 15 LEU CD2 C 13 25.009 0.300 . 2 . . . . 15 LEU CD2 . 10074 1 85 . 1 1 15 15 LEU N N 15 122.874 0.300 . 1 . . . . 15 LEU N . 10074 1 86 . 1 1 16 16 HIS H H 1 9.504 0.030 . 1 . . . . 16 HIS H . 10074 1 87 . 1 1 16 16 HIS HA H 1 4.786 0.030 . 1 . . . . 16 HIS HA . 10074 1 88 . 1 1 16 16 HIS HB2 H 1 2.241 0.030 . 2 . . . . 16 HIS HB2 . 10074 1 89 . 1 1 16 16 HIS HB3 H 1 0.391 0.030 . 2 . . . . 16 HIS HB3 . 10074 1 90 . 1 1 16 16 HIS HD2 H 1 4.671 0.030 . 1 . . . . 16 HIS HD2 . 10074 1 91 . 1 1 16 16 HIS HE1 H 1 7.258 0.030 . 1 . . . . 16 HIS HE1 . 10074 1 92 . 1 1 16 16 HIS C C 13 173.457 0.300 . 1 . . . . 16 HIS C . 10074 1 93 . 1 1 16 16 HIS CA C 13 54.650 0.300 . 1 . . . . 16 HIS CA . 10074 1 94 . 1 1 16 16 HIS CB C 13 29.123 0.300 . 1 . . . . 16 HIS CB . 10074 1 95 . 1 1 16 16 HIS CD2 C 13 125.457 0.300 . 1 . . . . 16 HIS CD2 . 10074 1 96 . 1 1 16 16 HIS CE1 C 13 135.386 0.300 . 1 . . . . 16 HIS CE1 . 10074 1 97 . 1 1 16 16 HIS N N 15 130.219 0.300 . 1 . . . . 16 HIS N . 10074 1 98 . 1 1 17 17 TYR H H 1 7.540 0.030 . 1 . . . . 17 TYR H . 10074 1 99 . 1 1 17 17 TYR HA H 1 4.696 0.030 . 1 . . . . 17 TYR HA . 10074 1 100 . 1 1 17 17 TYR HB2 H 1 2.828 0.030 . 2 . . . . 17 TYR HB2 . 10074 1 101 . 1 1 17 17 TYR HB3 H 1 2.323 0.030 . 2 . . . . 17 TYR HB3 . 10074 1 102 . 1 1 17 17 TYR HD1 H 1 6.453 0.030 . 1 . . . . 17 TYR HD1 . 10074 1 103 . 1 1 17 17 TYR HD2 H 1 6.453 0.030 . 1 . . . . 17 TYR HD2 . 10074 1 104 . 1 1 17 17 TYR HE1 H 1 6.344 0.030 . 1 . . . . 17 TYR HE1 . 10074 1 105 . 1 1 17 17 TYR HE2 H 1 6.344 0.030 . 1 . . . . 17 TYR HE2 . 10074 1 106 . 1 1 17 17 TYR C C 13 172.149 0.300 . 1 . . . . 17 TYR C . 10074 1 107 . 1 1 17 17 TYR CA C 13 56.588 0.300 . 1 . . . . 17 TYR CA . 10074 1 108 . 1 1 17 17 TYR CB C 13 40.604 0.300 . 1 . . . . 17 TYR CB . 10074 1 109 . 1 1 17 17 TYR CD1 C 13 132.640 0.300 . 1 . . . . 17 TYR CD1 . 10074 1 110 . 1 1 17 17 TYR CD2 C 13 132.640 0.300 . 1 . . . . 17 TYR CD2 . 10074 1 111 . 1 1 17 17 TYR CE1 C 13 117.568 0.300 . 1 . . . . 17 TYR CE1 . 10074 1 112 . 1 1 17 17 TYR CE2 C 13 117.568 0.300 . 1 . . . . 17 TYR CE2 . 10074 1 113 . 1 1 17 17 TYR N N 15 116.530 0.300 . 1 . . . . 17 TYR N . 10074 1 114 . 1 1 18 18 CYS H H 1 7.964 0.030 . 1 . . . . 18 CYS H . 10074 1 115 . 1 1 18 18 CYS HA H 1 4.204 0.030 . 1 . . . . 18 CYS HA . 10074 1 116 . 1 1 18 18 CYS HB2 H 1 2.890 0.030 . 2 . . . . 18 CYS HB2 . 10074 1 117 . 1 1 18 18 CYS HB3 H 1 1.844 0.030 . 2 . . . . 18 CYS HB3 . 10074 1 118 . 1 1 18 18 CYS C C 13 172.575 0.300 . 1 . . . . 18 CYS C . 10074 1 119 . 1 1 18 18 CYS CA C 13 58.588 0.300 . 1 . . . . 18 CYS CA . 10074 1 120 . 1 1 18 18 CYS CB C 13 28.274 0.300 . 1 . . . . 18 CYS CB . 10074 1 121 . 1 1 18 18 CYS N N 15 118.927 0.300 . 1 . . . . 18 CYS N . 10074 1 122 . 1 1 19 19 LEU H H 1 9.221 0.030 . 1 . . . . 19 LEU H . 10074 1 123 . 1 1 19 19 LEU HA H 1 5.394 0.030 . 1 . . . . 19 LEU HA . 10074 1 124 . 1 1 19 19 LEU HB2 H 1 2.017 0.030 . 2 . . . . 19 LEU HB2 . 10074 1 125 . 1 1 19 19 LEU HB3 H 1 1.192 0.030 . 2 . . . . 19 LEU HB3 . 10074 1 126 . 1 1 19 19 LEU HG H 1 1.897 0.030 . 1 . . . . 19 LEU HG . 10074 1 127 . 1 1 19 19 LEU HD11 H 1 0.800 0.030 . 1 . . . . 19 LEU HD1 . 10074 1 128 . 1 1 19 19 LEU HD12 H 1 0.800 0.030 . 1 . . . . 19 LEU HD1 . 10074 1 129 . 1 1 19 19 LEU HD13 H 1 0.800 0.030 . 1 . . . . 19 LEU HD1 . 10074 1 130 . 1 1 19 19 LEU HD21 H 1 0.770 0.030 . 1 . . . . 19 LEU HD2 . 10074 1 131 . 1 1 19 19 LEU HD22 H 1 0.770 0.030 . 1 . . . . 19 LEU HD2 . 10074 1 132 . 1 1 19 19 LEU HD23 H 1 0.770 0.030 . 1 . . . . 19 LEU HD2 . 10074 1 133 . 1 1 19 19 LEU C C 13 175.259 0.300 . 1 . . . . 19 LEU C . 10074 1 134 . 1 1 19 19 LEU CA C 13 53.253 0.300 . 1 . . . . 19 LEU CA . 10074 1 135 . 1 1 19 19 LEU CB C 13 44.701 0.300 . 1 . . . . 19 LEU CB . 10074 1 136 . 1 1 19 19 LEU CG C 13 26.857 0.300 . 1 . . . . 19 LEU CG . 10074 1 137 . 1 1 19 19 LEU CD1 C 13 25.686 0.300 . 2 . . . . 19 LEU CD1 . 10074 1 138 . 1 1 19 19 LEU CD2 C 13 25.047 0.300 . 2 . . . . 19 LEU CD2 . 10074 1 139 . 1 1 19 19 LEU N N 15 129.248 0.300 . 1 . . . . 19 LEU N . 10074 1 140 . 1 1 20 20 ASP H H 1 8.917 0.030 . 1 . . . . 20 ASP H . 10074 1 141 . 1 1 20 20 ASP HA H 1 5.059 0.030 . 1 . . . . 20 ASP HA . 10074 1 142 . 1 1 20 20 ASP HB2 H 1 2.567 0.030 . 2 . . . . 20 ASP HB2 . 10074 1 143 . 1 1 20 20 ASP HB3 H 1 2.548 0.030 . 2 . . . . 20 ASP HB3 . 10074 1 144 . 1 1 20 20 ASP C C 13 173.490 0.300 . 1 . . . . 20 ASP C . 10074 1 145 . 1 1 20 20 ASP CA C 13 54.007 0.300 . 1 . . . . 20 ASP CA . 10074 1 146 . 1 1 20 20 ASP CB C 13 45.476 0.300 . 1 . . . . 20 ASP CB . 10074 1 147 . 1 1 20 20 ASP N N 15 120.456 0.300 . 1 . . . . 20 ASP N . 10074 1 148 . 1 1 21 21 TYR H H 1 9.152 0.030 . 1 . . . . 21 TYR H . 10074 1 149 . 1 1 21 21 TYR HA H 1 5.184 0.030 . 1 . . . . 21 TYR HA . 10074 1 150 . 1 1 21 21 TYR HB2 H 1 2.806 0.030 . 2 . . . . 21 TYR HB2 . 10074 1 151 . 1 1 21 21 TYR HB3 H 1 2.679 0.030 . 2 . . . . 21 TYR HB3 . 10074 1 152 . 1 1 21 21 TYR HD1 H 1 6.821 0.030 . 1 . . . . 21 TYR HD1 . 10074 1 153 . 1 1 21 21 TYR HD2 H 1 6.821 0.030 . 1 . . . . 21 TYR HD2 . 10074 1 154 . 1 1 21 21 TYR HE1 H 1 6.655 0.030 . 1 . . . . 21 TYR HE1 . 10074 1 155 . 1 1 21 21 TYR HE2 H 1 6.655 0.030 . 1 . . . . 21 TYR HE2 . 10074 1 156 . 1 1 21 21 TYR C C 13 173.529 0.300 . 1 . . . . 21 TYR C . 10074 1 157 . 1 1 21 21 TYR CA C 13 57.674 0.300 . 1 . . . . 21 TYR CA . 10074 1 158 . 1 1 21 21 TYR CB C 13 41.959 0.300 . 1 . . . . 21 TYR CB . 10074 1 159 . 1 1 21 21 TYR CD1 C 13 132.816 0.300 . 1 . . . . 21 TYR CD1 . 10074 1 160 . 1 1 21 21 TYR CD2 C 13 132.816 0.300 . 1 . . . . 21 TYR CD2 . 10074 1 161 . 1 1 21 21 TYR CE1 C 13 116.989 0.300 . 1 . . . . 21 TYR CE1 . 10074 1 162 . 1 1 21 21 TYR CE2 C 13 116.989 0.300 . 1 . . . . 21 TYR CE2 . 10074 1 163 . 1 1 21 21 TYR N N 15 122.077 0.300 . 1 . . . . 21 TYR N . 10074 1 164 . 1 1 22 22 ASP H H 1 8.116 0.030 . 1 . . . . 22 ASP H . 10074 1 165 . 1 1 22 22 ASP HA H 1 4.788 0.030 . 1 . . . . 22 ASP HA . 10074 1 166 . 1 1 22 22 ASP HB2 H 1 2.784 0.030 . 2 . . . . 22 ASP HB2 . 10074 1 167 . 1 1 22 22 ASP HB3 H 1 2.449 0.030 . 2 . . . . 22 ASP HB3 . 10074 1 168 . 1 1 22 22 ASP C C 13 175.880 0.300 . 1 . . . . 22 ASP C . 10074 1 169 . 1 1 22 22 ASP CA C 13 52.139 0.300 . 1 . . . . 22 ASP CA . 10074 1 170 . 1 1 22 22 ASP CB C 13 43.361 0.300 . 1 . . . . 22 ASP CB . 10074 1 171 . 1 1 22 22 ASP N N 15 128.831 0.300 . 1 . . . . 22 ASP N . 10074 1 172 . 1 1 23 23 CYS H H 1 8.753 0.030 . 1 . . . . 23 CYS H . 10074 1 173 . 1 1 23 23 CYS HA H 1 4.199 0.030 . 1 . . . . 23 CYS HA . 10074 1 174 . 1 1 23 23 CYS HB2 H 1 3.140 0.030 . 2 . . . . 23 CYS HB2 . 10074 1 175 . 1 1 23 23 CYS HB3 H 1 3.086 0.030 . 2 . . . . 23 CYS HB3 . 10074 1 176 . 1 1 23 23 CYS C C 13 175.893 0.300 . 1 . . . . 23 CYS C . 10074 1 177 . 1 1 23 23 CYS CA C 13 60.248 0.300 . 1 . . . . 23 CYS CA . 10074 1 178 . 1 1 23 23 CYS CB C 13 27.492 0.300 . 1 . . . . 23 CYS CB . 10074 1 179 . 1 1 23 23 CYS N N 15 123.026 0.300 . 1 . . . . 23 CYS N . 10074 1 180 . 1 1 24 24 GLN H H 1 8.311 0.030 . 1 . . . . 24 GLN H . 10074 1 181 . 1 1 24 24 GLN HA H 1 4.177 0.030 . 1 . . . . 24 GLN HA . 10074 1 182 . 1 1 24 24 GLN HB2 H 1 2.255 0.030 . 2 . . . . 24 GLN HB2 . 10074 1 183 . 1 1 24 24 GLN HB3 H 1 2.167 0.030 . 2 . . . . 24 GLN HB3 . 10074 1 184 . 1 1 24 24 GLN HG2 H 1 2.465 0.030 . 2 . . . . 24 GLN HG2 . 10074 1 185 . 1 1 24 24 GLN HG3 H 1 2.367 0.030 . 2 . . . . 24 GLN HG3 . 10074 1 186 . 1 1 24 24 GLN HE21 H 1 7.575 0.030 . 2 . . . . 24 GLN HE21 . 10074 1 187 . 1 1 24 24 GLN HE22 H 1 6.849 0.030 . 2 . . . . 24 GLN HE22 . 10074 1 188 . 1 1 24 24 GLN C C 13 178.186 0.300 . 1 . . . . 24 GLN C . 10074 1 189 . 1 1 24 24 GLN CA C 13 58.589 0.300 . 1 . . . . 24 GLN CA . 10074 1 190 . 1 1 24 24 GLN CB C 13 28.354 0.300 . 1 . . . . 24 GLN CB . 10074 1 191 . 1 1 24 24 GLN CG C 13 34.546 0.300 . 1 . . . . 24 GLN CG . 10074 1 192 . 1 1 24 24 GLN N N 15 121.267 0.300 . 1 . . . . 24 GLN N . 10074 1 193 . 1 1 24 24 GLN NE2 N 15 112.496 0.300 . 1 . . . . 24 GLN NE2 . 10074 1 194 . 1 1 25 25 LYS H H 1 7.759 0.030 . 1 . . . . 25 LYS H . 10074 1 195 . 1 1 25 25 LYS HA H 1 4.035 0.030 . 1 . . . . 25 LYS HA . 10074 1 196 . 1 1 25 25 LYS HB2 H 1 1.807 0.030 . 2 . . . . 25 LYS HB2 . 10074 1 197 . 1 1 25 25 LYS HB3 H 1 1.254 0.030 . 2 . . . . 25 LYS HB3 . 10074 1 198 . 1 1 25 25 LYS HG2 H 1 1.451 0.030 . 2 . . . . 25 LYS HG2 . 10074 1 199 . 1 1 25 25 LYS HG3 H 1 1.274 0.030 . 2 . . . . 25 LYS HG3 . 10074 1 200 . 1 1 25 25 LYS HD2 H 1 1.737 0.030 . 2 . . . . 25 LYS HD2 . 10074 1 201 . 1 1 25 25 LYS HD3 H 1 1.614 0.030 . 2 . . . . 25 LYS HD3 . 10074 1 202 . 1 1 25 25 LYS HE2 H 1 2.969 0.030 . 1 . . . . 25 LYS HE2 . 10074 1 203 . 1 1 25 25 LYS HE3 H 1 2.969 0.030 . 1 . . . . 25 LYS HE3 . 10074 1 204 . 1 1 25 25 LYS C C 13 175.627 0.300 . 1 . . . . 25 LYS C . 10074 1 205 . 1 1 25 25 LYS CA C 13 56.551 0.300 . 1 . . . . 25 LYS CA . 10074 1 206 . 1 1 25 25 LYS CB C 13 33.454 0.300 . 1 . . . . 25 LYS CB . 10074 1 207 . 1 1 25 25 LYS CG C 13 25.781 0.300 . 1 . . . . 25 LYS CG . 10074 1 208 . 1 1 25 25 LYS CD C 13 28.980 0.300 . 1 . . . . 25 LYS CD . 10074 1 209 . 1 1 25 25 LYS CE C 13 42.022 0.300 . 1 . . . . 25 LYS CE . 10074 1 210 . 1 1 25 25 LYS N N 15 117.645 0.300 . 1 . . . . 25 LYS N . 10074 1 211 . 1 1 26 26 ALA H H 1 7.864 0.030 . 1 . . . . 26 ALA H . 10074 1 212 . 1 1 26 26 ALA HA H 1 4.010 0.030 . 1 . . . . 26 ALA HA . 10074 1 213 . 1 1 26 26 ALA HB1 H 1 1.403 0.030 . 1 . . . . 26 ALA HB . 10074 1 214 . 1 1 26 26 ALA HB2 H 1 1.403 0.030 . 1 . . . . 26 ALA HB . 10074 1 215 . 1 1 26 26 ALA HB3 H 1 1.403 0.030 . 1 . . . . 26 ALA HB . 10074 1 216 . 1 1 26 26 ALA C C 13 176.303 0.300 . 1 . . . . 26 ALA C . 10074 1 217 . 1 1 26 26 ALA CA C 13 52.387 0.300 . 1 . . . . 26 ALA CA . 10074 1 218 . 1 1 26 26 ALA CB C 13 16.207 0.300 . 1 . . . . 26 ALA CB . 10074 1 219 . 1 1 26 26 ALA N N 15 121.847 0.300 . 1 . . . . 26 ALA N . 10074 1 220 . 1 1 27 27 GLU H H 1 6.976 0.030 . 1 . . . . 27 GLU H . 10074 1 221 . 1 1 27 27 GLU HA H 1 4.590 0.030 . 1 . . . . 27 GLU HA . 10074 1 222 . 1 1 27 27 GLU HB2 H 1 1.420 0.030 . 2 . . . . 27 GLU HB2 . 10074 1 223 . 1 1 27 27 GLU HB3 H 1 1.237 0.030 . 2 . . . . 27 GLU HB3 . 10074 1 224 . 1 1 27 27 GLU HG2 H 1 2.101 0.030 . 2 . . . . 27 GLU HG2 . 10074 1 225 . 1 1 27 27 GLU HG3 H 1 1.661 0.030 . 2 . . . . 27 GLU HG3 . 10074 1 226 . 1 1 27 27 GLU C C 13 172.462 0.300 . 1 . . . . 27 GLU C . 10074 1 227 . 1 1 27 27 GLU CA C 13 54.921 0.300 . 1 . . . . 27 GLU CA . 10074 1 228 . 1 1 27 27 GLU CB C 13 35.298 0.300 . 1 . . . . 27 GLU CB . 10074 1 229 . 1 1 27 27 GLU CG C 13 36.317 0.300 . 1 . . . . 27 GLU CG . 10074 1 230 . 1 1 27 27 GLU N N 15 116.383 0.300 . 1 . . . . 27 GLU N . 10074 1 231 . 1 1 28 28 LEU H H 1 8.979 0.030 . 1 . . . . 28 LEU H . 10074 1 232 . 1 1 28 28 LEU HA H 1 4.902 0.030 . 1 . . . . 28 LEU HA . 10074 1 233 . 1 1 28 28 LEU HB2 H 1 2.063 0.030 . 2 . . . . 28 LEU HB2 . 10074 1 234 . 1 1 28 28 LEU HB3 H 1 1.323 0.030 . 2 . . . . 28 LEU HB3 . 10074 1 235 . 1 1 28 28 LEU HG H 1 1.546 0.030 . 1 . . . . 28 LEU HG . 10074 1 236 . 1 1 28 28 LEU HD11 H 1 0.804 0.030 . 1 . . . . 28 LEU HD1 . 10074 1 237 . 1 1 28 28 LEU HD12 H 1 0.804 0.030 . 1 . . . . 28 LEU HD1 . 10074 1 238 . 1 1 28 28 LEU HD13 H 1 0.804 0.030 . 1 . . . . 28 LEU HD1 . 10074 1 239 . 1 1 28 28 LEU HD21 H 1 0.985 0.030 . 1 . . . . 28 LEU HD2 . 10074 1 240 . 1 1 28 28 LEU HD22 H 1 0.985 0.030 . 1 . . . . 28 LEU HD2 . 10074 1 241 . 1 1 28 28 LEU HD23 H 1 0.985 0.030 . 1 . . . . 28 LEU HD2 . 10074 1 242 . 1 1 28 28 LEU C C 13 173.937 0.300 . 1 . . . . 28 LEU C . 10074 1 243 . 1 1 28 28 LEU CA C 13 53.403 0.300 . 1 . . . . 28 LEU CA . 10074 1 244 . 1 1 28 28 LEU CB C 13 45.078 0.300 . 1 . . . . 28 LEU CB . 10074 1 245 . 1 1 28 28 LEU CG C 13 27.333 0.300 . 1 . . . . 28 LEU CG . 10074 1 246 . 1 1 28 28 LEU CD1 C 13 27.717 0.300 . 2 . . . . 28 LEU CD1 . 10074 1 247 . 1 1 28 28 LEU CD2 C 13 23.829 0.300 . 2 . . . . 28 LEU CD2 . 10074 1 248 . 1 1 28 28 LEU N N 15 123.878 0.300 . 1 . . . . 28 LEU N . 10074 1 249 . 1 1 29 29 PHE H H 1 9.364 0.030 . 1 . . . . 29 PHE H . 10074 1 250 . 1 1 29 29 PHE HA H 1 5.466 0.030 . 1 . . . . 29 PHE HA . 10074 1 251 . 1 1 29 29 PHE HB2 H 1 3.002 0.030 . 2 . . . . 29 PHE HB2 . 10074 1 252 . 1 1 29 29 PHE HB3 H 1 2.980 0.030 . 2 . . . . 29 PHE HB3 . 10074 1 253 . 1 1 29 29 PHE HD1 H 1 7.114 0.030 . 1 . . . . 29 PHE HD1 . 10074 1 254 . 1 1 29 29 PHE HD2 H 1 7.114 0.030 . 1 . . . . 29 PHE HD2 . 10074 1 255 . 1 1 29 29 PHE HE1 H 1 7.279 0.030 . 1 . . . . 29 PHE HE1 . 10074 1 256 . 1 1 29 29 PHE HE2 H 1 7.279 0.030 . 1 . . . . 29 PHE HE2 . 10074 1 257 . 1 1 29 29 PHE HZ H 1 7.261 0.030 . 1 . . . . 29 PHE HZ . 10074 1 258 . 1 1 29 29 PHE C C 13 175.873 0.300 . 1 . . . . 29 PHE C . 10074 1 259 . 1 1 29 29 PHE CA C 13 55.351 0.300 . 1 . . . . 29 PHE CA . 10074 1 260 . 1 1 29 29 PHE CB C 13 41.547 0.300 . 1 . . . . 29 PHE CB . 10074 1 261 . 1 1 29 29 PHE CD1 C 13 131.081 0.300 . 1 . . . . 29 PHE CD1 . 10074 1 262 . 1 1 29 29 PHE CD2 C 13 131.081 0.300 . 1 . . . . 29 PHE CD2 . 10074 1 263 . 1 1 29 29 PHE CE1 C 13 131.696 0.300 . 1 . . . . 29 PHE CE1 . 10074 1 264 . 1 1 29 29 PHE CE2 C 13 131.696 0.300 . 1 . . . . 29 PHE CE2 . 10074 1 265 . 1 1 29 29 PHE CZ C 13 129.983 0.300 . 1 . . . . 29 PHE CZ . 10074 1 266 . 1 1 29 29 PHE N N 15 125.479 0.300 . 1 . . . . 29 PHE N . 10074 1 267 . 1 1 30 30 VAL H H 1 8.963 0.030 . 1 . . . . 30 VAL H . 10074 1 268 . 1 1 30 30 VAL HA H 1 5.077 0.030 . 1 . . . . 30 VAL HA . 10074 1 269 . 1 1 30 30 VAL HB H 1 2.033 0.030 . 1 . . . . 30 VAL HB . 10074 1 270 . 1 1 30 30 VAL HG11 H 1 0.945 0.030 . 1 . . . . 30 VAL HG1 . 10074 1 271 . 1 1 30 30 VAL HG12 H 1 0.945 0.030 . 1 . . . . 30 VAL HG1 . 10074 1 272 . 1 1 30 30 VAL HG13 H 1 0.945 0.030 . 1 . . . . 30 VAL HG1 . 10074 1 273 . 1 1 30 30 VAL HG21 H 1 0.752 0.030 . 1 . . . . 30 VAL HG2 . 10074 1 274 . 1 1 30 30 VAL HG22 H 1 0.752 0.030 . 1 . . . . 30 VAL HG2 . 10074 1 275 . 1 1 30 30 VAL HG23 H 1 0.752 0.030 . 1 . . . . 30 VAL HG2 . 10074 1 276 . 1 1 30 30 VAL C C 13 175.682 0.300 . 1 . . . . 30 VAL C . 10074 1 277 . 1 1 30 30 VAL CA C 13 60.826 0.300 . 1 . . . . 30 VAL CA . 10074 1 278 . 1 1 30 30 VAL CB C 13 32.331 0.300 . 1 . . . . 30 VAL CB . 10074 1 279 . 1 1 30 30 VAL CG1 C 13 22.188 0.300 . 2 . . . . 30 VAL CG1 . 10074 1 280 . 1 1 30 30 VAL CG2 C 13 19.880 0.300 . 2 . . . . 30 VAL CG2 . 10074 1 281 . 1 1 30 30 VAL N N 15 124.963 0.300 . 1 . . . . 30 VAL N . 10074 1 282 . 1 1 31 31 THR H H 1 9.065 0.030 . 1 . . . . 31 THR H . 10074 1 283 . 1 1 31 31 THR HA H 1 4.828 0.030 . 1 . . . . 31 THR HA . 10074 1 284 . 1 1 31 31 THR HB H 1 4.366 0.030 . 1 . . . . 31 THR HB . 10074 1 285 . 1 1 31 31 THR HG21 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 10074 1 286 . 1 1 31 31 THR HG22 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 10074 1 287 . 1 1 31 31 THR HG23 H 1 1.172 0.030 . 1 . . . . 31 THR HG2 . 10074 1 288 . 1 1 31 31 THR C C 13 172.852 0.300 . 1 . . . . 31 THR C . 10074 1 289 . 1 1 31 31 THR CA C 13 59.675 0.300 . 1 . . . . 31 THR CA . 10074 1 290 . 1 1 31 31 THR CB C 13 73.026 0.300 . 1 . . . . 31 THR CB . 10074 1 291 . 1 1 31 31 THR CG2 C 13 21.912 0.300 . 1 . . . . 31 THR CG2 . 10074 1 292 . 1 1 31 31 THR N N 15 115.652 0.300 . 1 . . . . 31 THR N . 10074 1 293 . 1 1 32 32 ARG H H 1 8.593 0.030 . 1 . . . . 32 ARG H . 10074 1 294 . 1 1 32 32 ARG HA H 1 3.982 0.030 . 1 . . . . 32 ARG HA . 10074 1 295 . 1 1 32 32 ARG HB2 H 1 1.992 0.030 . 2 . . . . 32 ARG HB2 . 10074 1 296 . 1 1 32 32 ARG HB3 H 1 1.813 0.030 . 2 . . . . 32 ARG HB3 . 10074 1 297 . 1 1 32 32 ARG HG2 H 1 1.618 0.030 . 1 . . . . 32 ARG HG2 . 10074 1 298 . 1 1 32 32 ARG HG3 H 1 1.618 0.030 . 1 . . . . 32 ARG HG3 . 10074 1 299 . 1 1 32 32 ARG HD2 H 1 3.131 0.030 . 1 . . . . 32 ARG HD2 . 10074 1 300 . 1 1 32 32 ARG HD3 H 1 3.131 0.030 . 1 . . . . 32 ARG HD3 . 10074 1 301 . 1 1 32 32 ARG HE H 1 7.261 0.030 . 1 . . . . 32 ARG HE . 10074 1 302 . 1 1 32 32 ARG C C 13 176.036 0.300 . 1 . . . . 32 ARG C . 10074 1 303 . 1 1 32 32 ARG CA C 13 55.484 0.300 . 1 . . . . 32 ARG CA . 10074 1 304 . 1 1 32 32 ARG CB C 13 26.314 0.300 . 1 . . . . 32 ARG CB . 10074 1 305 . 1 1 32 32 ARG CG C 13 26.358 0.300 . 1 . . . . 32 ARG CG . 10074 1 306 . 1 1 32 32 ARG CD C 13 43.017 0.300 . 1 . . . . 32 ARG CD . 10074 1 307 . 1 1 32 32 ARG N N 15 110.997 0.300 . 1 . . . . 32 ARG N . 10074 1 308 . 1 1 33 33 LEU H H 1 8.558 0.030 . 1 . . . . 33 LEU H . 10074 1 309 . 1 1 33 33 LEU HA H 1 5.123 0.030 . 1 . . . . 33 LEU HA . 10074 1 310 . 1 1 33 33 LEU HB2 H 1 2.216 0.030 . 2 . . . . 33 LEU HB2 . 10074 1 311 . 1 1 33 33 LEU HB3 H 1 1.217 0.030 . 2 . . . . 33 LEU HB3 . 10074 1 312 . 1 1 33 33 LEU HG H 1 1.539 0.030 . 1 . . . . 33 LEU HG . 10074 1 313 . 1 1 33 33 LEU HD11 H 1 0.645 0.030 . 1 . . . . 33 LEU HD1 . 10074 1 314 . 1 1 33 33 LEU HD12 H 1 0.645 0.030 . 1 . . . . 33 LEU HD1 . 10074 1 315 . 1 1 33 33 LEU HD13 H 1 0.645 0.030 . 1 . . . . 33 LEU HD1 . 10074 1 316 . 1 1 33 33 LEU HD21 H 1 0.975 0.030 . 1 . . . . 33 LEU HD2 . 10074 1 317 . 1 1 33 33 LEU HD22 H 1 0.975 0.030 . 1 . . . . 33 LEU HD2 . 10074 1 318 . 1 1 33 33 LEU HD23 H 1 0.975 0.030 . 1 . . . . 33 LEU HD2 . 10074 1 319 . 1 1 33 33 LEU C C 13 178.338 0.300 . 1 . . . . 33 LEU C . 10074 1 320 . 1 1 33 33 LEU CA C 13 55.852 0.300 . 1 . . . . 33 LEU CA . 10074 1 321 . 1 1 33 33 LEU CB C 13 43.586 0.300 . 1 . . . . 33 LEU CB . 10074 1 322 . 1 1 33 33 LEU CG C 13 27.398 0.300 . 1 . . . . 33 LEU CG . 10074 1 323 . 1 1 33 33 LEU CD1 C 13 25.940 0.300 . 2 . . . . 33 LEU CD1 . 10074 1 324 . 1 1 33 33 LEU CD2 C 13 23.997 0.300 . 2 . . . . 33 LEU CD2 . 10074 1 325 . 1 1 33 33 LEU N N 15 118.274 0.300 . 1 . . . . 33 LEU N . 10074 1 326 . 1 1 34 34 GLU H H 1 8.182 0.030 . 1 . . . . 34 GLU H . 10074 1 327 . 1 1 34 34 GLU HA H 1 5.514 0.030 . 1 . . . . 34 GLU HA . 10074 1 328 . 1 1 34 34 GLU HB2 H 1 2.160 0.030 . 2 . . . . 34 GLU HB2 . 10074 1 329 . 1 1 34 34 GLU HB3 H 1 1.913 0.030 . 2 . . . . 34 GLU HB3 . 10074 1 330 . 1 1 34 34 GLU HG2 H 1 2.287 0.030 . 1 . . . . 34 GLU HG2 . 10074 1 331 . 1 1 34 34 GLU HG3 H 1 2.287 0.030 . 1 . . . . 34 GLU HG3 . 10074 1 332 . 1 1 34 34 GLU C C 13 174.580 0.300 . 1 . . . . 34 GLU C . 10074 1 333 . 1 1 34 34 GLU CA C 13 54.113 0.300 . 1 . . . . 34 GLU CA . 10074 1 334 . 1 1 34 34 GLU CB C 13 34.362 0.300 . 1 . . . . 34 GLU CB . 10074 1 335 . 1 1 34 34 GLU CG C 13 35.451 0.300 . 1 . . . . 34 GLU CG . 10074 1 336 . 1 1 34 34 GLU N N 15 120.650 0.300 . 1 . . . . 34 GLU N . 10074 1 337 . 1 1 35 35 ALA H H 1 9.913 0.030 . 1 . . . . 35 ALA H . 10074 1 338 . 1 1 35 35 ALA HA H 1 6.052 0.030 . 1 . . . . 35 ALA HA . 10074 1 339 . 1 1 35 35 ALA HB1 H 1 1.606 0.030 . 1 . . . . 35 ALA HB . 10074 1 340 . 1 1 35 35 ALA HB2 H 1 1.606 0.030 . 1 . . . . 35 ALA HB . 10074 1 341 . 1 1 35 35 ALA HB3 H 1 1.606 0.030 . 1 . . . . 35 ALA HB . 10074 1 342 . 1 1 35 35 ALA C C 13 177.135 0.300 . 1 . . . . 35 ALA C . 10074 1 343 . 1 1 35 35 ALA CA C 13 51.096 0.300 . 1 . . . . 35 ALA CA . 10074 1 344 . 1 1 35 35 ALA CB C 13 23.627 0.300 . 1 . . . . 35 ALA CB . 10074 1 345 . 1 1 35 35 ALA N N 15 123.214 0.300 . 1 . . . . 35 ALA N . 10074 1 346 . 1 1 36 36 VAL H H 1 9.262 0.030 . 1 . . . . 36 VAL H . 10074 1 347 . 1 1 36 36 VAL HA H 1 5.461 0.030 . 1 . . . . 36 VAL HA . 10074 1 348 . 1 1 36 36 VAL HB H 1 1.755 0.030 . 1 . . . . 36 VAL HB . 10074 1 349 . 1 1 36 36 VAL HG11 H 1 0.678 0.030 . 1 . . . . 36 VAL HG1 . 10074 1 350 . 1 1 36 36 VAL HG12 H 1 0.678 0.030 . 1 . . . . 36 VAL HG1 . 10074 1 351 . 1 1 36 36 VAL HG13 H 1 0.678 0.030 . 1 . . . . 36 VAL HG1 . 10074 1 352 . 1 1 36 36 VAL HG21 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 10074 1 353 . 1 1 36 36 VAL HG22 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 10074 1 354 . 1 1 36 36 VAL HG23 H 1 0.701 0.030 . 1 . . . . 36 VAL HG2 . 10074 1 355 . 1 1 36 36 VAL C C 13 175.709 0.300 . 1 . . . . 36 VAL C . 10074 1 356 . 1 1 36 36 VAL CA C 13 61.172 0.300 . 1 . . . . 36 VAL CA . 10074 1 357 . 1 1 36 36 VAL CB C 13 34.066 0.300 . 1 . . . . 36 VAL CB . 10074 1 358 . 1 1 36 36 VAL CG1 C 13 21.680 0.300 . 2 . . . . 36 VAL CG1 . 10074 1 359 . 1 1 36 36 VAL CG2 C 13 20.807 0.300 . 2 . . . . 36 VAL CG2 . 10074 1 360 . 1 1 36 36 VAL N N 15 125.374 0.300 . 1 . . . . 36 VAL N . 10074 1 361 . 1 1 37 37 THR H H 1 8.838 0.030 . 1 . . . . 37 THR H . 10074 1 362 . 1 1 37 37 THR HA H 1 4.770 0.030 . 1 . . . . 37 THR HA . 10074 1 363 . 1 1 37 37 THR HB H 1 4.328 0.030 . 1 . . . . 37 THR HB . 10074 1 364 . 1 1 37 37 THR HG21 H 1 1.149 0.030 . 1 . . . . 37 THR HG2 . 10074 1 365 . 1 1 37 37 THR HG22 H 1 1.149 0.030 . 1 . . . . 37 THR HG2 . 10074 1 366 . 1 1 37 37 THR HG23 H 1 1.149 0.030 . 1 . . . . 37 THR HG2 . 10074 1 367 . 1 1 37 37 THR C C 13 173.036 0.300 . 1 . . . . 37 THR C . 10074 1 368 . 1 1 37 37 THR CA C 13 59.575 0.300 . 1 . . . . 37 THR CA . 10074 1 369 . 1 1 37 37 THR CB C 13 71.339 0.300 . 1 . . . . 37 THR CB . 10074 1 370 . 1 1 37 37 THR CG2 C 13 21.167 0.300 . 1 . . . . 37 THR CG2 . 10074 1 371 . 1 1 37 37 THR N N 15 117.739 0.300 . 1 . . . . 37 THR N . 10074 1 372 . 1 1 38 38 SER H H 1 8.711 0.030 . 1 . . . . 38 SER H . 10074 1 373 . 1 1 38 38 SER HA H 1 4.465 0.030 . 1 . . . . 38 SER HA . 10074 1 374 . 1 1 38 38 SER HB2 H 1 3.906 0.030 . 2 . . . . 38 SER HB2 . 10074 1 375 . 1 1 38 38 SER HB3 H 1 3.824 0.030 . 2 . . . . 38 SER HB3 . 10074 1 376 . 1 1 38 38 SER C C 13 174.508 0.300 . 1 . . . . 38 SER C . 10074 1 377 . 1 1 38 38 SER CA C 13 58.427 0.300 . 1 . . . . 38 SER CA . 10074 1 378 . 1 1 38 38 SER CB C 13 64.235 0.300 . 1 . . . . 38 SER CB . 10074 1 379 . 1 1 38 38 SER N N 15 115.635 0.300 . 1 . . . . 38 SER N . 10074 1 380 . 1 1 40 40 HIS HA H 1 4.526 0.030 . 1 . . . . 40 HIS HA . 10074 1 381 . 1 1 40 40 HIS HB2 H 1 3.018 0.030 . 1 . . . . 40 HIS HB2 . 10074 1 382 . 1 1 40 40 HIS HB3 H 1 3.018 0.030 . 1 . . . . 40 HIS HB3 . 10074 1 383 . 1 1 40 40 HIS HD2 H 1 6.921 0.030 . 1 . . . . 40 HIS HD2 . 10074 1 384 . 1 1 40 40 HIS HE1 H 1 7.754 0.030 . 1 . . . . 40 HIS HE1 . 10074 1 385 . 1 1 40 40 HIS CA C 13 56.480 0.300 . 1 . . . . 40 HIS CA . 10074 1 386 . 1 1 40 40 HIS CB C 13 31.086 0.300 . 1 . . . . 40 HIS CB . 10074 1 387 . 1 1 40 40 HIS CD2 C 13 119.929 0.300 . 1 . . . . 40 HIS CD2 . 10074 1 388 . 1 1 40 40 HIS CE1 C 13 138.551 0.300 . 1 . . . . 40 HIS CE1 . 10074 1 389 . 1 1 41 41 ASP HA H 1 4.575 0.030 . 1 . . . . 41 ASP HA . 10074 1 390 . 1 1 41 41 ASP HB2 H 1 2.650 0.030 . 1 . . . . 41 ASP HB2 . 10074 1 391 . 1 1 41 41 ASP HB3 H 1 2.650 0.030 . 1 . . . . 41 ASP HB3 . 10074 1 392 . 1 1 41 41 ASP C C 13 176.546 0.300 . 1 . . . . 41 ASP C . 10074 1 393 . 1 1 41 41 ASP CA C 13 54.442 0.300 . 1 . . . . 41 ASP CA . 10074 1 394 . 1 1 41 41 ASP CB C 13 41.318 0.300 . 1 . . . . 41 ASP CB . 10074 1 395 . 1 1 42 42 GLY H H 1 8.327 0.030 . 1 . . . . 42 GLY H . 10074 1 396 . 1 1 42 42 GLY HA2 H 1 4.000 0.030 . 1 . . . . 42 GLY HA2 . 10074 1 397 . 1 1 42 42 GLY HA3 H 1 4.000 0.030 . 1 . . . . 42 GLY HA3 . 10074 1 398 . 1 1 42 42 GLY C C 13 174.851 0.300 . 1 . . . . 42 GLY C . 10074 1 399 . 1 1 42 42 GLY CA C 13 45.422 0.300 . 1 . . . . 42 GLY CA . 10074 1 400 . 1 1 42 42 GLY N N 15 109.191 0.300 . 1 . . . . 42 GLY N . 10074 1 401 . 1 1 43 43 GLY H H 1 8.527 0.030 . 1 . . . . 43 GLY H . 10074 1 402 . 1 1 43 43 GLY HA2 H 1 4.091 0.030 . 2 . . . . 43 GLY HA2 . 10074 1 403 . 1 1 43 43 GLY HA3 H 1 3.847 0.030 . 2 . . . . 43 GLY HA3 . 10074 1 404 . 1 1 43 43 GLY C C 13 174.004 0.300 . 1 . . . . 43 GLY C . 10074 1 405 . 1 1 43 43 GLY CA C 13 46.005 0.300 . 1 . . . . 43 GLY CA . 10074 1 406 . 1 1 43 43 GLY N N 15 108.821 0.300 . 1 . . . . 43 GLY N . 10074 1 407 . 1 1 44 44 CYS H H 1 8.053 0.030 . 1 . . . . 44 CYS H . 10074 1 408 . 1 1 44 44 CYS HA H 1 4.779 0.030 . 1 . . . . 44 CYS HA . 10074 1 409 . 1 1 44 44 CYS HB2 H 1 3.031 0.030 . 1 . . . . 44 CYS HB2 . 10074 1 410 . 1 1 44 44 CYS HB3 H 1 3.031 0.030 . 1 . . . . 44 CYS HB3 . 10074 1 411 . 1 1 44 44 CYS C C 13 173.386 0.300 . 1 . . . . 44 CYS C . 10074 1 412 . 1 1 44 44 CYS CA C 13 58.097 0.300 . 1 . . . . 44 CYS CA . 10074 1 413 . 1 1 44 44 CYS CB C 13 29.611 0.300 . 1 . . . . 44 CYS CB . 10074 1 414 . 1 1 44 44 CYS N N 15 117.416 0.300 . 1 . . . . 44 CYS N . 10074 1 415 . 1 1 45 45 ASP H H 1 8.314 0.030 . 1 . . . . 45 ASP H . 10074 1 416 . 1 1 45 45 ASP HA H 1 5.608 0.030 . 1 . . . . 45 ASP HA . 10074 1 417 . 1 1 45 45 ASP HB2 H 1 2.523 0.030 . 1 . . . . 45 ASP HB2 . 10074 1 418 . 1 1 45 45 ASP HB3 H 1 2.523 0.030 . 1 . . . . 45 ASP HB3 . 10074 1 419 . 1 1 45 45 ASP C C 13 176.203 0.300 . 1 . . . . 45 ASP C . 10074 1 420 . 1 1 45 45 ASP CA C 13 53.888 0.300 . 1 . . . . 45 ASP CA . 10074 1 421 . 1 1 45 45 ASP CB C 13 45.096 0.300 . 1 . . . . 45 ASP CB . 10074 1 422 . 1 1 45 45 ASP N N 15 120.919 0.300 . 1 . . . . 45 ASP N . 10074 1 423 . 1 1 46 46 CYS H H 1 10.071 0.030 . 1 . . . . 46 CYS H . 10074 1 424 . 1 1 46 46 CYS HA H 1 5.947 0.030 . 1 . . . . 46 CYS HA . 10074 1 425 . 1 1 46 46 CYS HB2 H 1 3.077 0.030 . 1 . . . . 46 CYS HB2 . 10074 1 426 . 1 1 46 46 CYS HB3 H 1 3.077 0.030 . 1 . . . . 46 CYS HB3 . 10074 1 427 . 1 1 46 46 CYS C C 13 171.791 0.300 . 1 . . . . 46 CYS C . 10074 1 428 . 1 1 46 46 CYS CA C 13 56.564 0.300 . 1 . . . . 46 CYS CA . 10074 1 429 . 1 1 46 46 CYS CB C 13 32.724 0.300 . 1 . . . . 46 CYS CB . 10074 1 430 . 1 1 46 46 CYS N N 15 114.519 0.300 . 1 . . . . 46 CYS N . 10074 1 431 . 1 1 47 47 TYR H H 1 8.971 0.030 . 1 . . . . 47 TYR H . 10074 1 432 . 1 1 47 47 TYR HA H 1 4.727 0.030 . 1 . . . . 47 TYR HA . 10074 1 433 . 1 1 47 47 TYR HB2 H 1 3.136 0.030 . 2 . . . . 47 TYR HB2 . 10074 1 434 . 1 1 47 47 TYR HB3 H 1 2.686 0.030 . 2 . . . . 47 TYR HB3 . 10074 1 435 . 1 1 47 47 TYR HD1 H 1 6.584 0.030 . 1 . . . . 47 TYR HD1 . 10074 1 436 . 1 1 47 47 TYR HD2 H 1 6.584 0.030 . 1 . . . . 47 TYR HD2 . 10074 1 437 . 1 1 47 47 TYR HE1 H 1 6.522 0.030 . 1 . . . . 47 TYR HE1 . 10074 1 438 . 1 1 47 47 TYR HE2 H 1 6.522 0.030 . 1 . . . . 47 TYR HE2 . 10074 1 439 . 1 1 47 47 TYR C C 13 171.172 0.300 . 1 . . . . 47 TYR C . 10074 1 440 . 1 1 47 47 TYR CA C 13 56.444 0.300 . 1 . . . . 47 TYR CA . 10074 1 441 . 1 1 47 47 TYR CB C 13 39.370 0.300 . 1 . . . . 47 TYR CB . 10074 1 442 . 1 1 47 47 TYR CD1 C 13 133.743 0.300 . 1 . . . . 47 TYR CD1 . 10074 1 443 . 1 1 47 47 TYR CD2 C 13 133.743 0.300 . 1 . . . . 47 TYR CD2 . 10074 1 444 . 1 1 47 47 TYR CE1 C 13 118.019 0.300 . 1 . . . . 47 TYR CE1 . 10074 1 445 . 1 1 47 47 TYR CE2 C 13 118.019 0.300 . 1 . . . . 47 TYR CE2 . 10074 1 446 . 1 1 47 47 TYR N N 15 116.137 0.300 . 1 . . . . 47 TYR N . 10074 1 447 . 1 1 48 48 VAL H H 1 7.740 0.030 . 1 . . . . 48 VAL H . 10074 1 448 . 1 1 48 48 VAL HA H 1 4.666 0.030 . 1 . . . . 48 VAL HA . 10074 1 449 . 1 1 48 48 VAL HB H 1 1.236 0.030 . 1 . . . . 48 VAL HB . 10074 1 450 . 1 1 48 48 VAL HG11 H 1 0.591 0.030 . 1 . . . . 48 VAL HG1 . 10074 1 451 . 1 1 48 48 VAL HG12 H 1 0.591 0.030 . 1 . . . . 48 VAL HG1 . 10074 1 452 . 1 1 48 48 VAL HG13 H 1 0.591 0.030 . 1 . . . . 48 VAL HG1 . 10074 1 453 . 1 1 48 48 VAL HG21 H 1 -0.114 0.030 . 1 . . . . 48 VAL HG2 . 10074 1 454 . 1 1 48 48 VAL HG22 H 1 -0.114 0.030 . 1 . . . . 48 VAL HG2 . 10074 1 455 . 1 1 48 48 VAL HG23 H 1 -0.114 0.030 . 1 . . . . 48 VAL HG2 . 10074 1 456 . 1 1 48 48 VAL C C 13 174.553 0.300 . 1 . . . . 48 VAL C . 10074 1 457 . 1 1 48 48 VAL CA C 13 60.292 0.300 . 1 . . . . 48 VAL CA . 10074 1 458 . 1 1 48 48 VAL CB C 13 33.467 0.300 . 1 . . . . 48 VAL CB . 10074 1 459 . 1 1 48 48 VAL CG1 C 13 21.500 0.300 . 2 . . . . 48 VAL CG1 . 10074 1 460 . 1 1 48 48 VAL CG2 C 13 21.456 0.300 . 2 . . . . 48 VAL CG2 . 10074 1 461 . 1 1 48 48 VAL N N 15 118.993 0.300 . 1 . . . . 48 VAL N . 10074 1 462 . 1 1 49 49 GLN H H 1 8.987 0.030 . 1 . . . . 49 GLN H . 10074 1 463 . 1 1 49 49 GLN HA H 1 5.207 0.030 . 1 . . . . 49 GLN HA . 10074 1 464 . 1 1 49 49 GLN HB2 H 1 2.077 0.030 . 2 . . . . 49 GLN HB2 . 10074 1 465 . 1 1 49 49 GLN HB3 H 1 1.784 0.030 . 2 . . . . 49 GLN HB3 . 10074 1 466 . 1 1 49 49 GLN HG2 H 1 2.445 0.030 . 2 . . . . 49 GLN HG2 . 10074 1 467 . 1 1 49 49 GLN HG3 H 1 2.258 0.030 . 2 . . . . 49 GLN HG3 . 10074 1 468 . 1 1 49 49 GLN HE21 H 1 7.244 0.030 . 2 . . . . 49 GLN HE21 . 10074 1 469 . 1 1 49 49 GLN HE22 H 1 6.729 0.030 . 2 . . . . 49 GLN HE22 . 10074 1 470 . 1 1 49 49 GLN C C 13 174.223 0.300 . 1 . . . . 49 GLN C . 10074 1 471 . 1 1 49 49 GLN CA C 13 53.574 0.300 . 1 . . . . 49 GLN CA . 10074 1 472 . 1 1 49 49 GLN CB C 13 32.412 0.300 . 1 . . . . 49 GLN CB . 10074 1 473 . 1 1 49 49 GLN CG C 13 33.810 0.300 . 1 . . . . 49 GLN CG . 10074 1 474 . 1 1 49 49 GLN N N 15 127.233 0.300 . 1 . . . . 49 GLN N . 10074 1 475 . 1 1 49 49 GLN NE2 N 15 110.818 0.300 . 1 . . . . 49 GLN NE2 . 10074 1 476 . 1 1 50 50 GLY H H 1 9.325 0.030 . 1 . . . . 50 GLY H . 10074 1 477 . 1 1 50 50 GLY HA2 H 1 5.418 0.030 . 2 . . . . 50 GLY HA2 . 10074 1 478 . 1 1 50 50 GLY HA3 H 1 2.957 0.030 . 2 . . . . 50 GLY HA3 . 10074 1 479 . 1 1 50 50 GLY C C 13 171.075 0.300 . 1 . . . . 50 GLY C . 10074 1 480 . 1 1 50 50 GLY CA C 13 44.296 0.300 . 1 . . . . 50 GLY CA . 10074 1 481 . 1 1 50 50 GLY N N 15 113.122 0.300 . 1 . . . . 50 GLY N . 10074 1 482 . 1 1 51 51 SER H H 1 8.554 0.030 . 1 . . . . 51 SER H . 10074 1 483 . 1 1 51 51 SER HA H 1 5.581 0.030 . 1 . . . . 51 SER HA . 10074 1 484 . 1 1 51 51 SER HB2 H 1 3.703 0.030 . 2 . . . . 51 SER HB2 . 10074 1 485 . 1 1 51 51 SER HB3 H 1 3.658 0.030 . 2 . . . . 51 SER HB3 . 10074 1 486 . 1 1 51 51 SER C C 13 174.294 0.300 . 1 . . . . 51 SER C . 10074 1 487 . 1 1 51 51 SER CA C 13 56.015 0.300 . 1 . . . . 51 SER CA . 10074 1 488 . 1 1 51 51 SER CB C 13 65.224 0.300 . 1 . . . . 51 SER CB . 10074 1 489 . 1 1 51 51 SER N N 15 115.865 0.300 . 1 . . . . 51 SER N . 10074 1 490 . 1 1 52 52 VAL H H 1 9.146 0.030 . 1 . . . . 52 VAL H . 10074 1 491 . 1 1 52 52 VAL HA H 1 5.008 0.030 . 1 . . . . 52 VAL HA . 10074 1 492 . 1 1 52 52 VAL HB H 1 1.882 0.030 . 1 . . . . 52 VAL HB . 10074 1 493 . 1 1 52 52 VAL HG11 H 1 0.834 0.030 . 1 . . . . 52 VAL HG1 . 10074 1 494 . 1 1 52 52 VAL HG12 H 1 0.834 0.030 . 1 . . . . 52 VAL HG1 . 10074 1 495 . 1 1 52 52 VAL HG13 H 1 0.834 0.030 . 1 . . . . 52 VAL HG1 . 10074 1 496 . 1 1 52 52 VAL HG21 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 10074 1 497 . 1 1 52 52 VAL HG22 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 10074 1 498 . 1 1 52 52 VAL HG23 H 1 0.868 0.030 . 1 . . . . 52 VAL HG2 . 10074 1 499 . 1 1 52 52 VAL C C 13 173.980 0.300 . 1 . . . . 52 VAL C . 10074 1 500 . 1 1 52 52 VAL CA C 13 60.105 0.300 . 1 . . . . 52 VAL CA . 10074 1 501 . 1 1 52 52 VAL CB C 13 34.208 0.300 . 1 . . . . 52 VAL CB . 10074 1 502 . 1 1 52 52 VAL CG1 C 13 23.498 0.300 . 2 . . . . 52 VAL CG1 . 10074 1 503 . 1 1 52 52 VAL CG2 C 13 22.091 0.300 . 2 . . . . 52 VAL CG2 . 10074 1 504 . 1 1 52 52 VAL N N 15 126.649 0.300 . 1 . . . . 52 VAL N . 10074 1 505 . 1 1 53 53 ALA H H 1 8.505 0.030 . 1 . . . . 53 ALA H . 10074 1 506 . 1 1 53 53 ALA HA H 1 4.926 0.030 . 1 . . . . 53 ALA HA . 10074 1 507 . 1 1 53 53 ALA HB1 H 1 1.401 0.030 . 1 . . . . 53 ALA HB . 10074 1 508 . 1 1 53 53 ALA HB2 H 1 1.401 0.030 . 1 . . . . 53 ALA HB . 10074 1 509 . 1 1 53 53 ALA HB3 H 1 1.401 0.030 . 1 . . . . 53 ALA HB . 10074 1 510 . 1 1 53 53 ALA C C 13 176.491 0.300 . 1 . . . . 53 ALA C . 10074 1 511 . 1 1 53 53 ALA CA C 13 51.085 0.300 . 1 . . . . 53 ALA CA . 10074 1 512 . 1 1 53 53 ALA CB C 13 20.179 0.300 . 1 . . . . 53 ALA CB . 10074 1 513 . 1 1 53 53 ALA N N 15 130.287 0.300 . 1 . . . . 53 ALA N . 10074 1 514 . 1 1 54 54 ASN H H 1 8.547 0.030 . 1 . . . . 54 ASN H . 10074 1 515 . 1 1 54 54 ASN HA H 1 5.032 0.030 . 1 . . . . 54 ASN HA . 10074 1 516 . 1 1 54 54 ASN HB2 H 1 3.455 0.030 . 2 . . . . 54 ASN HB2 . 10074 1 517 . 1 1 54 54 ASN HB3 H 1 2.485 0.030 . 2 . . . . 54 ASN HB3 . 10074 1 518 . 1 1 54 54 ASN HD21 H 1 7.056 0.030 . 2 . . . . 54 ASN HD21 . 10074 1 519 . 1 1 54 54 ASN HD22 H 1 6.783 0.030 . 2 . . . . 54 ASN HD22 . 10074 1 520 . 1 1 54 54 ASN C C 13 175.598 0.300 . 1 . . . . 54 ASN C . 10074 1 521 . 1 1 54 54 ASN CA C 13 51.475 0.300 . 1 . . . . 54 ASN CA . 10074 1 522 . 1 1 54 54 ASN CB C 13 39.889 0.300 . 1 . . . . 54 ASN CB . 10074 1 523 . 1 1 54 54 ASN N N 15 121.526 0.300 . 1 . . . . 54 ASN N . 10074 1 524 . 1 1 54 54 ASN ND2 N 15 111.833 0.300 . 1 . . . . 54 ASN ND2 . 10074 1 525 . 1 1 55 55 ARG H H 1 8.586 0.030 . 1 . . . . 55 ARG H . 10074 1 526 . 1 1 55 55 ARG HA H 1 4.112 0.030 . 1 . . . . 55 ARG HA . 10074 1 527 . 1 1 55 55 ARG HB2 H 1 2.006 0.030 . 2 . . . . 55 ARG HB2 . 10074 1 528 . 1 1 55 55 ARG HB3 H 1 1.889 0.030 . 2 . . . . 55 ARG HB3 . 10074 1 529 . 1 1 55 55 ARG HG2 H 1 1.780 0.030 . 2 . . . . 55 ARG HG2 . 10074 1 530 . 1 1 55 55 ARG HG3 H 1 1.725 0.030 . 2 . . . . 55 ARG HG3 . 10074 1 531 . 1 1 55 55 ARG HD2 H 1 3.223 0.030 . 2 . . . . 55 ARG HD2 . 10074 1 532 . 1 1 55 55 ARG HD3 H 1 3.174 0.030 . 2 . . . . 55 ARG HD3 . 10074 1 533 . 1 1 55 55 ARG C C 13 178.044 0.300 . 1 . . . . 55 ARG C . 10074 1 534 . 1 1 55 55 ARG CA C 13 59.633 0.300 . 1 . . . . 55 ARG CA . 10074 1 535 . 1 1 55 55 ARG CB C 13 30.496 0.300 . 1 . . . . 55 ARG CB . 10074 1 536 . 1 1 55 55 ARG CG C 13 27.490 0.300 . 1 . . . . 55 ARG CG . 10074 1 537 . 1 1 55 55 ARG CD C 13 43.515 0.300 . 1 . . . . 55 ARG CD . 10074 1 538 . 1 1 55 55 ARG N N 15 117.514 0.300 . 1 . . . . 55 ARG N . 10074 1 539 . 1 1 56 56 THR H H 1 8.092 0.030 . 1 . . . . 56 THR H . 10074 1 540 . 1 1 56 56 THR HA H 1 4.481 0.030 . 1 . . . . 56 THR HA . 10074 1 541 . 1 1 56 56 THR HB H 1 4.389 0.030 . 1 . . . . 56 THR HB . 10074 1 542 . 1 1 56 56 THR HG21 H 1 1.124 0.030 . 1 . . . . 56 THR HG2 . 10074 1 543 . 1 1 56 56 THR HG22 H 1 1.124 0.030 . 1 . . . . 56 THR HG2 . 10074 1 544 . 1 1 56 56 THR HG23 H 1 1.124 0.030 . 1 . . . . 56 THR HG2 . 10074 1 545 . 1 1 56 56 THR C C 13 174.411 0.300 . 1 . . . . 56 THR C . 10074 1 546 . 1 1 56 56 THR CA C 13 61.630 0.300 . 1 . . . . 56 THR CA . 10074 1 547 . 1 1 56 56 THR CB C 13 69.921 0.300 . 1 . . . . 56 THR CB . 10074 1 548 . 1 1 56 56 THR CG2 C 13 21.721 0.300 . 1 . . . . 56 THR CG2 . 10074 1 549 . 1 1 56 56 THR N N 15 107.377 0.300 . 1 . . . . 56 THR N . 10074 1 550 . 1 1 57 57 GLY H H 1 7.810 0.030 . 1 . . . . 57 GLY H . 10074 1 551 . 1 1 57 57 GLY HA2 H 1 4.272 0.030 . 2 . . . . 57 GLY HA2 . 10074 1 552 . 1 1 57 57 GLY HA3 H 1 3.929 0.030 . 2 . . . . 57 GLY HA3 . 10074 1 553 . 1 1 57 57 GLY C C 13 171.468 0.300 . 1 . . . . 57 GLY C . 10074 1 554 . 1 1 57 57 GLY CA C 13 45.942 0.300 . 1 . . . . 57 GLY CA . 10074 1 555 . 1 1 57 57 GLY N N 15 111.983 0.300 . 1 . . . . 57 GLY N . 10074 1 556 . 1 1 58 58 SER H H 1 8.307 0.030 . 1 . . . . 58 SER H . 10074 1 557 . 1 1 58 58 SER HA H 1 5.558 0.030 . 1 . . . . 58 SER HA . 10074 1 558 . 1 1 58 58 SER HB2 H 1 3.714 0.030 . 1 . . . . 58 SER HB2 . 10074 1 559 . 1 1 58 58 SER HB3 H 1 3.714 0.030 . 1 . . . . 58 SER HB3 . 10074 1 560 . 1 1 58 58 SER C C 13 173.548 0.300 . 1 . . . . 58 SER C . 10074 1 561 . 1 1 58 58 SER CA C 13 57.357 0.300 . 1 . . . . 58 SER CA . 10074 1 562 . 1 1 58 58 SER CB C 13 65.867 0.300 . 1 . . . . 58 SER CB . 10074 1 563 . 1 1 58 58 SER N N 15 116.137 0.300 . 1 . . . . 58 SER N . 10074 1 564 . 1 1 59 59 VAL H H 1 8.408 0.030 . 1 . . . . 59 VAL H . 10074 1 565 . 1 1 59 59 VAL HA H 1 4.554 0.030 . 1 . . . . 59 VAL HA . 10074 1 566 . 1 1 59 59 VAL HB H 1 2.104 0.030 . 1 . . . . 59 VAL HB . 10074 1 567 . 1 1 59 59 VAL HG11 H 1 1.031 0.030 . 1 . . . . 59 VAL HG1 . 10074 1 568 . 1 1 59 59 VAL HG12 H 1 1.031 0.030 . 1 . . . . 59 VAL HG1 . 10074 1 569 . 1 1 59 59 VAL HG13 H 1 1.031 0.030 . 1 . . . . 59 VAL HG1 . 10074 1 570 . 1 1 59 59 VAL HG21 H 1 1.045 0.030 . 1 . . . . 59 VAL HG2 . 10074 1 571 . 1 1 59 59 VAL HG22 H 1 1.045 0.030 . 1 . . . . 59 VAL HG2 . 10074 1 572 . 1 1 59 59 VAL HG23 H 1 1.045 0.030 . 1 . . . . 59 VAL HG2 . 10074 1 573 . 1 1 59 59 VAL C C 13 173.798 0.300 . 1 . . . . 59 VAL C . 10074 1 574 . 1 1 59 59 VAL CA C 13 60.760 0.300 . 1 . . . . 59 VAL CA . 10074 1 575 . 1 1 59 59 VAL CB C 13 34.842 0.300 . 1 . . . . 59 VAL CB . 10074 1 576 . 1 1 59 59 VAL CG1 C 13 21.583 0.300 . 2 . . . . 59 VAL CG1 . 10074 1 577 . 1 1 59 59 VAL CG2 C 13 20.242 0.300 . 2 . . . . 59 VAL CG2 . 10074 1 578 . 1 1 59 59 VAL N N 15 119.209 0.300 . 1 . . . . 59 VAL N . 10074 1 579 . 1 1 60 60 GLU H H 1 8.339 0.030 . 1 . . . . 60 GLU H . 10074 1 580 . 1 1 60 60 GLU HA H 1 5.664 0.030 . 1 . . . . 60 GLU HA . 10074 1 581 . 1 1 60 60 GLU HB2 H 1 1.963 0.030 . 1 . . . . 60 GLU HB2 . 10074 1 582 . 1 1 60 60 GLU HB3 H 1 1.963 0.030 . 1 . . . . 60 GLU HB3 . 10074 1 583 . 1 1 60 60 GLU HG2 H 1 2.210 0.030 . 2 . . . . 60 GLU HG2 . 10074 1 584 . 1 1 60 60 GLU HG3 H 1 2.081 0.030 . 2 . . . . 60 GLU HG3 . 10074 1 585 . 1 1 60 60 GLU C C 13 175.419 0.300 . 1 . . . . 60 GLU C . 10074 1 586 . 1 1 60 60 GLU CA C 13 54.889 0.300 . 1 . . . . 60 GLU CA . 10074 1 587 . 1 1 60 60 GLU CB C 13 34.527 0.300 . 1 . . . . 60 GLU CB . 10074 1 588 . 1 1 60 60 GLU CG C 13 36.402 0.300 . 1 . . . . 60 GLU CG . 10074 1 589 . 1 1 60 60 GLU N N 15 121.107 0.300 . 1 . . . . 60 GLU N . 10074 1 590 . 1 1 61 61 ALA H H 1 8.818 0.030 . 1 . . . . 61 ALA H . 10074 1 591 . 1 1 61 61 ALA HA H 1 4.678 0.030 . 1 . . . . 61 ALA HA . 10074 1 592 . 1 1 61 61 ALA HB1 H 1 1.440 0.030 . 1 . . . . 61 ALA HB . 10074 1 593 . 1 1 61 61 ALA HB2 H 1 1.440 0.030 . 1 . . . . 61 ALA HB . 10074 1 594 . 1 1 61 61 ALA HB3 H 1 1.440 0.030 . 1 . . . . 61 ALA HB . 10074 1 595 . 1 1 61 61 ALA C C 13 175.026 0.300 . 1 . . . . 61 ALA C . 10074 1 596 . 1 1 61 61 ALA CA C 13 51.862 0.300 . 1 . . . . 61 ALA CA . 10074 1 597 . 1 1 61 61 ALA CB C 13 23.733 0.300 . 1 . . . . 61 ALA CB . 10074 1 598 . 1 1 61 61 ALA N N 15 122.056 0.300 . 1 . . . . 61 ALA N . 10074 1 599 . 1 1 62 62 GLN H H 1 8.779 0.030 . 1 . . . . 62 GLN H . 10074 1 600 . 1 1 62 62 GLN HA H 1 5.653 0.030 . 1 . . . . 62 GLN HA . 10074 1 601 . 1 1 62 62 GLN HB2 H 1 2.219 0.030 . 2 . . . . 62 GLN HB2 . 10074 1 602 . 1 1 62 62 GLN HB3 H 1 2.135 0.030 . 2 . . . . 62 GLN HB3 . 10074 1 603 . 1 1 62 62 GLN HG2 H 1 2.253 0.030 . 2 . . . . 62 GLN HG2 . 10074 1 604 . 1 1 62 62 GLN HG3 H 1 2.226 0.030 . 2 . . . . 62 GLN HG3 . 10074 1 605 . 1 1 62 62 GLN HE21 H 1 7.405 0.030 . 2 . . . . 62 GLN HE21 . 10074 1 606 . 1 1 62 62 GLN HE22 H 1 6.410 0.030 . 2 . . . . 62 GLN HE22 . 10074 1 607 . 1 1 62 62 GLN C C 13 175.928 0.300 . 1 . . . . 62 GLN C . 10074 1 608 . 1 1 62 62 GLN CA C 13 54.374 0.300 . 1 . . . . 62 GLN CA . 10074 1 609 . 1 1 62 62 GLN CB C 13 33.347 0.300 . 1 . . . . 62 GLN CB . 10074 1 610 . 1 1 62 62 GLN CG C 13 32.805 0.300 . 1 . . . . 62 GLN CG . 10074 1 611 . 1 1 62 62 GLN N N 15 115.589 0.300 . 1 . . . . 62 GLN N . 10074 1 612 . 1 1 62 62 GLN NE2 N 15 111.585 0.300 . 1 . . . . 62 GLN NE2 . 10074 1 613 . 1 1 63 63 THR H H 1 8.576 0.030 . 1 . . . . 63 THR H . 10074 1 614 . 1 1 63 63 THR HA H 1 4.425 0.030 . 1 . . . . 63 THR HA . 10074 1 615 . 1 1 63 63 THR HB H 1 4.642 0.030 . 1 . . . . 63 THR HB . 10074 1 616 . 1 1 63 63 THR HG21 H 1 0.788 0.030 . 1 . . . . 63 THR HG2 . 10074 1 617 . 1 1 63 63 THR HG22 H 1 0.788 0.030 . 1 . . . . 63 THR HG2 . 10074 1 618 . 1 1 63 63 THR HG23 H 1 0.788 0.030 . 1 . . . . 63 THR HG2 . 10074 1 619 . 1 1 63 63 THR C C 13 173.956 0.300 . 1 . . . . 63 THR C . 10074 1 620 . 1 1 63 63 THR CA C 13 60.970 0.300 . 1 . . . . 63 THR CA . 10074 1 621 . 1 1 63 63 THR CB C 13 72.974 0.300 . 1 . . . . 63 THR CB . 10074 1 622 . 1 1 63 63 THR CG2 C 13 21.004 0.300 . 1 . . . . 63 THR CG2 . 10074 1 623 . 1 1 63 63 THR N N 15 112.395 0.300 . 1 . . . . 63 THR N . 10074 1 624 . 1 1 64 64 ALA H H 1 8.619 0.030 . 1 . . . . 64 ALA H . 10074 1 625 . 1 1 64 64 ALA HA H 1 4.357 0.030 . 1 . . . . 64 ALA HA . 10074 1 626 . 1 1 64 64 ALA HB1 H 1 1.625 0.030 . 1 . . . . 64 ALA HB . 10074 1 627 . 1 1 64 64 ALA HB2 H 1 1.625 0.030 . 1 . . . . 64 ALA HB . 10074 1 628 . 1 1 64 64 ALA HB3 H 1 1.625 0.030 . 1 . . . . 64 ALA HB . 10074 1 629 . 1 1 64 64 ALA C C 13 177.827 0.300 . 1 . . . . 64 ALA C . 10074 1 630 . 1 1 64 64 ALA CA C 13 52.185 0.300 . 1 . . . . 64 ALA CA . 10074 1 631 . 1 1 64 64 ALA CB C 13 20.077 0.300 . 1 . . . . 64 ALA CB . 10074 1 632 . 1 1 64 64 ALA N N 15 119.557 0.300 . 1 . . . . 64 ALA N . 10074 1 633 . 1 1 65 65 LEU H H 1 8.317 0.030 . 1 . . . . 65 LEU H . 10074 1 634 . 1 1 65 65 LEU HA H 1 4.797 0.030 . 1 . . . . 65 LEU HA . 10074 1 635 . 1 1 65 65 LEU HB2 H 1 1.642 0.030 . 2 . . . . 65 LEU HB2 . 10074 1 636 . 1 1 65 65 LEU HB3 H 1 1.489 0.030 . 2 . . . . 65 LEU HB3 . 10074 1 637 . 1 1 65 65 LEU HG H 1 1.548 0.030 . 1 . . . . 65 LEU HG . 10074 1 638 . 1 1 65 65 LEU HD11 H 1 0.751 0.030 . 1 . . . . 65 LEU HD1 . 10074 1 639 . 1 1 65 65 LEU HD12 H 1 0.751 0.030 . 1 . . . . 65 LEU HD1 . 10074 1 640 . 1 1 65 65 LEU HD13 H 1 0.751 0.030 . 1 . . . . 65 LEU HD1 . 10074 1 641 . 1 1 65 65 LEU HD21 H 1 0.684 0.030 . 1 . . . . 65 LEU HD2 . 10074 1 642 . 1 1 65 65 LEU HD22 H 1 0.684 0.030 . 1 . . . . 65 LEU HD2 . 10074 1 643 . 1 1 65 65 LEU HD23 H 1 0.684 0.030 . 1 . . . . 65 LEU HD2 . 10074 1 644 . 1 1 65 65 LEU C C 13 177.764 0.300 . 1 . . . . 65 LEU C . 10074 1 645 . 1 1 65 65 LEU CA C 13 56.218 0.300 . 1 . . . . 65 LEU CA . 10074 1 646 . 1 1 65 65 LEU CB C 13 43.039 0.300 . 1 . . . . 65 LEU CB . 10074 1 647 . 1 1 65 65 LEU CG C 13 29.130 0.300 . 1 . . . . 65 LEU CG . 10074 1 648 . 1 1 65 65 LEU CD1 C 13 25.782 0.300 . 2 . . . . 65 LEU CD1 . 10074 1 649 . 1 1 65 65 LEU CD2 C 13 24.663 0.300 . 2 . . . . 65 LEU CD2 . 10074 1 650 . 1 1 65 65 LEU N N 15 121.454 0.300 . 1 . . . . 65 LEU N . 10074 1 651 . 1 1 66 66 LYS H H 1 9.214 0.030 . 1 . . . . 66 LYS H . 10074 1 652 . 1 1 66 66 LYS HA H 1 4.709 0.030 . 1 . . . . 66 LYS HA . 10074 1 653 . 1 1 66 66 LYS HB2 H 1 1.651 0.030 . 2 . . . . 66 LYS HB2 . 10074 1 654 . 1 1 66 66 LYS HB3 H 1 1.314 0.030 . 2 . . . . 66 LYS HB3 . 10074 1 655 . 1 1 66 66 LYS HG2 H 1 1.247 0.030 . 2 . . . . 66 LYS HG2 . 10074 1 656 . 1 1 66 66 LYS HG3 H 1 1.084 0.030 . 2 . . . . 66 LYS HG3 . 10074 1 657 . 1 1 66 66 LYS HD2 H 1 1.464 0.030 . 2 . . . . 66 LYS HD2 . 10074 1 658 . 1 1 66 66 LYS HD3 H 1 1.432 0.030 . 2 . . . . 66 LYS HD3 . 10074 1 659 . 1 1 66 66 LYS HE2 H 1 3.024 0.030 . 2 . . . . 66 LYS HE2 . 10074 1 660 . 1 1 66 66 LYS HE3 H 1 2.990 0.030 . 2 . . . . 66 LYS HE3 . 10074 1 661 . 1 1 66 66 LYS C C 13 175.673 0.300 . 1 . . . . 66 LYS C . 10074 1 662 . 1 1 66 66 LYS CA C 13 53.977 0.300 . 1 . . . . 66 LYS CA . 10074 1 663 . 1 1 66 66 LYS CB C 13 36.992 0.300 . 1 . . . . 66 LYS CB . 10074 1 664 . 1 1 66 66 LYS CG C 13 24.916 0.300 . 1 . . . . 66 LYS CG . 10074 1 665 . 1 1 66 66 LYS CD C 13 28.651 0.300 . 1 . . . . 66 LYS CD . 10074 1 666 . 1 1 66 66 LYS CE C 13 42.098 0.300 . 1 . . . . 66 LYS CE . 10074 1 667 . 1 1 66 66 LYS N N 15 121.843 0.300 . 1 . . . . 66 LYS N . 10074 1 668 . 1 1 67 67 LYS H H 1 8.317 0.030 . 1 . . . . 67 LYS H . 10074 1 669 . 1 1 67 67 LYS HA H 1 4.597 0.030 . 1 . . . . 67 LYS HA . 10074 1 670 . 1 1 67 67 LYS HB2 H 1 1.805 0.030 . 2 . . . . 67 LYS HB2 . 10074 1 671 . 1 1 67 67 LYS HB3 H 1 1.666 0.030 . 2 . . . . 67 LYS HB3 . 10074 1 672 . 1 1 67 67 LYS HG2 H 1 1.523 0.030 . 2 . . . . 67 LYS HG2 . 10074 1 673 . 1 1 67 67 LYS HG3 H 1 1.403 0.030 . 2 . . . . 67 LYS HG3 . 10074 1 674 . 1 1 67 67 LYS HD2 H 1 1.702 0.030 . 2 . . . . 67 LYS HD2 . 10074 1 675 . 1 1 67 67 LYS HD3 H 1 1.687 0.030 . 2 . . . . 67 LYS HD3 . 10074 1 676 . 1 1 67 67 LYS HE2 H 1 3.005 0.030 . 1 . . . . 67 LYS HE2 . 10074 1 677 . 1 1 67 67 LYS HE3 H 1 3.005 0.030 . 1 . . . . 67 LYS HE3 . 10074 1 678 . 1 1 67 67 LYS C C 13 176.763 0.300 . 1 . . . . 67 LYS C . 10074 1 679 . 1 1 67 67 LYS CA C 13 56.789 0.300 . 1 . . . . 67 LYS CA . 10074 1 680 . 1 1 67 67 LYS CB C 13 32.250 0.300 . 1 . . . . 67 LYS CB . 10074 1 681 . 1 1 67 67 LYS CG C 13 24.516 0.300 . 1 . . . . 67 LYS CG . 10074 1 682 . 1 1 67 67 LYS CD C 13 28.737 0.300 . 1 . . . . 67 LYS CD . 10074 1 683 . 1 1 67 67 LYS CE C 13 42.060 0.300 . 1 . . . . 67 LYS CE . 10074 1 684 . 1 1 67 67 LYS N N 15 122.549 0.300 . 1 . . . . 67 LYS N . 10074 1 685 . 1 1 68 68 ARG H H 1 8.665 0.030 . 1 . . . . 68 ARG H . 10074 1 686 . 1 1 68 68 ARG HA H 1 4.107 0.030 . 1 . . . . 68 ARG HA . 10074 1 687 . 1 1 68 68 ARG HB2 H 1 1.943 0.030 . 2 . . . . 68 ARG HB2 . 10074 1 688 . 1 1 68 68 ARG HB3 H 1 1.395 0.030 . 2 . . . . 68 ARG HB3 . 10074 1 689 . 1 1 68 68 ARG HG2 H 1 1.655 0.030 . 2 . . . . 68 ARG HG2 . 10074 1 690 . 1 1 68 68 ARG HG3 H 1 1.462 0.030 . 2 . . . . 68 ARG HG3 . 10074 1 691 . 1 1 68 68 ARG HD2 H 1 3.095 0.030 . 2 . . . . 68 ARG HD2 . 10074 1 692 . 1 1 68 68 ARG HD3 H 1 2.907 0.030 . 2 . . . . 68 ARG HD3 . 10074 1 693 . 1 1 68 68 ARG C C 13 175.485 0.300 . 1 . . . . 68 ARG C . 10074 1 694 . 1 1 68 68 ARG CA C 13 58.284 0.300 . 1 . . . . 68 ARG CA . 10074 1 695 . 1 1 68 68 ARG CB C 13 30.774 0.300 . 1 . . . . 68 ARG CB . 10074 1 696 . 1 1 68 68 ARG CG C 13 26.711 0.300 . 1 . . . . 68 ARG CG . 10074 1 697 . 1 1 68 68 ARG CD C 13 44.030 0.300 . 1 . . . . 68 ARG CD . 10074 1 698 . 1 1 68 68 ARG N N 15 125.374 0.300 . 1 . . . . 68 ARG N . 10074 1 699 . 1 1 69 69 GLN H H 1 7.703 0.030 . 1 . . . . 69 GLN H . 10074 1 700 . 1 1 69 69 GLN HA H 1 4.632 0.030 . 1 . . . . 69 GLN HA . 10074 1 701 . 1 1 69 69 GLN HB2 H 1 2.262 0.030 . 2 . . . . 69 GLN HB2 . 10074 1 702 . 1 1 69 69 GLN HB3 H 1 1.750 0.030 . 2 . . . . 69 GLN HB3 . 10074 1 703 . 1 1 69 69 GLN HG2 H 1 2.248 0.030 . 1 . . . . 69 GLN HG2 . 10074 1 704 . 1 1 69 69 GLN HG3 H 1 2.248 0.030 . 1 . . . . 69 GLN HG3 . 10074 1 705 . 1 1 69 69 GLN HE21 H 1 7.560 0.030 . 2 . . . . 69 GLN HE21 . 10074 1 706 . 1 1 69 69 GLN HE22 H 1 6.915 0.030 . 2 . . . . 69 GLN HE22 . 10074 1 707 . 1 1 69 69 GLN C C 13 175.166 0.300 . 1 . . . . 69 GLN C . 10074 1 708 . 1 1 69 69 GLN CA C 13 53.750 0.300 . 1 . . . . 69 GLN CA . 10074 1 709 . 1 1 69 69 GLN CB C 13 31.816 0.300 . 1 . . . . 69 GLN CB . 10074 1 710 . 1 1 69 69 GLN CG C 13 33.850 0.300 . 1 . . . . 69 GLN CG . 10074 1 711 . 1 1 69 69 GLN N N 15 126.586 0.300 . 1 . . . . 69 GLN N . 10074 1 712 . 1 1 69 69 GLN NE2 N 15 112.103 0.300 . 1 . . . . 69 GLN NE2 . 10074 1 713 . 1 1 70 70 LEU H H 1 8.459 0.030 . 1 . . . . 70 LEU H . 10074 1 714 . 1 1 70 70 LEU HA H 1 4.140 0.030 . 1 . . . . 70 LEU HA . 10074 1 715 . 1 1 70 70 LEU HB2 H 1 1.650 0.030 . 1 . . . . 70 LEU HB2 . 10074 1 716 . 1 1 70 70 LEU HB3 H 1 1.650 0.030 . 1 . . . . 70 LEU HB3 . 10074 1 717 . 1 1 70 70 LEU HG H 1 1.630 0.030 . 1 . . . . 70 LEU HG . 10074 1 718 . 1 1 70 70 LEU HD11 H 1 0.863 0.030 . 1 . . . . 70 LEU HD1 . 10074 1 719 . 1 1 70 70 LEU HD12 H 1 0.863 0.030 . 1 . . . . 70 LEU HD1 . 10074 1 720 . 1 1 70 70 LEU HD13 H 1 0.863 0.030 . 1 . . . . 70 LEU HD1 . 10074 1 721 . 1 1 70 70 LEU HD21 H 1 0.769 0.030 . 1 . . . . 70 LEU HD2 . 10074 1 722 . 1 1 70 70 LEU HD22 H 1 0.769 0.030 . 1 . . . . 70 LEU HD2 . 10074 1 723 . 1 1 70 70 LEU HD23 H 1 0.769 0.030 . 1 . . . . 70 LEU HD2 . 10074 1 724 . 1 1 70 70 LEU C C 13 176.323 0.300 . 1 . . . . 70 LEU C . 10074 1 725 . 1 1 70 70 LEU CA C 13 58.983 0.300 . 1 . . . . 70 LEU CA . 10074 1 726 . 1 1 70 70 LEU CB C 13 41.008 0.300 . 1 . . . . 70 LEU CB . 10074 1 727 . 1 1 70 70 LEU CG C 13 27.173 0.300 . 1 . . . . 70 LEU CG . 10074 1 728 . 1 1 70 70 LEU CD1 C 13 24.985 0.300 . 2 . . . . 70 LEU CD1 . 10074 1 729 . 1 1 70 70 LEU CD2 C 13 24.036 0.300 . 2 . . . . 70 LEU CD2 . 10074 1 730 . 1 1 70 70 LEU N N 15 123.210 0.300 . 1 . . . . 70 LEU N . 10074 1 731 . 1 1 71 71 HIS H H 1 7.834 0.030 . 1 . . . . 71 HIS H . 10074 1 732 . 1 1 71 71 HIS HA H 1 5.522 0.030 . 1 . . . . 71 HIS HA . 10074 1 733 . 1 1 71 71 HIS HB2 H 1 3.164 0.030 . 2 . . . . 71 HIS HB2 . 10074 1 734 . 1 1 71 71 HIS HB3 H 1 2.826 0.030 . 2 . . . . 71 HIS HB3 . 10074 1 735 . 1 1 71 71 HIS HD2 H 1 6.790 0.030 . 1 . . . . 71 HIS HD2 . 10074 1 736 . 1 1 71 71 HIS HE1 H 1 7.832 0.030 . 1 . . . . 71 HIS HE1 . 10074 1 737 . 1 1 71 71 HIS C C 13 174.784 0.300 . 1 . . . . 71 HIS C . 10074 1 738 . 1 1 71 71 HIS CA C 13 53.423 0.300 . 1 . . . . 71 HIS CA . 10074 1 739 . 1 1 71 71 HIS CB C 13 32.336 0.300 . 1 . . . . 71 HIS CB . 10074 1 740 . 1 1 71 71 HIS CD2 C 13 115.801 0.300 . 1 . . . . 71 HIS CD2 . 10074 1 741 . 1 1 71 71 HIS CE1 C 13 138.075 0.300 . 1 . . . . 71 HIS CE1 . 10074 1 742 . 1 1 71 71 HIS N N 15 115.214 0.300 . 1 . . . . 71 HIS N . 10074 1 743 . 1 1 72 72 THR H H 1 9.009 0.030 . 1 . . . . 72 THR H . 10074 1 744 . 1 1 72 72 THR HA H 1 4.274 0.030 . 1 . . . . 72 THR HA . 10074 1 745 . 1 1 72 72 THR HB H 1 3.508 0.030 . 1 . . . . 72 THR HB . 10074 1 746 . 1 1 72 72 THR HG21 H 1 0.246 0.030 . 1 . . . . 72 THR HG2 . 10074 1 747 . 1 1 72 72 THR HG22 H 1 0.246 0.030 . 1 . . . . 72 THR HG2 . 10074 1 748 . 1 1 72 72 THR HG23 H 1 0.246 0.030 . 1 . . . . 72 THR HG2 . 10074 1 749 . 1 1 72 72 THR C C 13 172.680 0.300 . 1 . . . . 72 THR C . 10074 1 750 . 1 1 72 72 THR CA C 13 62.418 0.300 . 1 . . . . 72 THR CA . 10074 1 751 . 1 1 72 72 THR CB C 13 70.696 0.300 . 1 . . . . 72 THR CB . 10074 1 752 . 1 1 72 72 THR CG2 C 13 21.728 0.300 . 1 . . . . 72 THR CG2 . 10074 1 753 . 1 1 72 72 THR N N 15 124.182 0.300 . 1 . . . . 72 THR N . 10074 1 754 . 1 1 73 73 THR H H 1 8.211 0.030 . 1 . . . . 73 THR H . 10074 1 755 . 1 1 73 73 THR HA H 1 4.747 0.030 . 1 . . . . 73 THR HA . 10074 1 756 . 1 1 73 73 THR HB H 1 4.012 0.030 . 1 . . . . 73 THR HB . 10074 1 757 . 1 1 73 73 THR HG21 H 1 0.830 0.030 . 1 . . . . 73 THR HG2 . 10074 1 758 . 1 1 73 73 THR HG22 H 1 0.830 0.030 . 1 . . . . 73 THR HG2 . 10074 1 759 . 1 1 73 73 THR HG23 H 1 0.830 0.030 . 1 . . . . 73 THR HG2 . 10074 1 760 . 1 1 73 73 THR C C 13 171.856 0.300 . 1 . . . . 73 THR C . 10074 1 761 . 1 1 73 73 THR CA C 13 60.557 0.300 . 1 . . . . 73 THR CA . 10074 1 762 . 1 1 73 73 THR CB C 13 70.999 0.300 . 1 . . . . 73 THR CB . 10074 1 763 . 1 1 73 73 THR CG2 C 13 21.108 0.300 . 1 . . . . 73 THR CG2 . 10074 1 764 . 1 1 73 73 THR N N 15 117.653 0.300 . 1 . . . . 73 THR N . 10074 1 765 . 1 1 74 74 TRP H H 1 8.027 0.030 . 1 . . . . 74 TRP H . 10074 1 766 . 1 1 74 74 TRP HA H 1 4.650 0.030 . 1 . . . . 74 TRP HA . 10074 1 767 . 1 1 74 74 TRP HB2 H 1 3.445 0.030 . 2 . . . . 74 TRP HB2 . 10074 1 768 . 1 1 74 74 TRP HB3 H 1 3.192 0.030 . 2 . . . . 74 TRP HB3 . 10074 1 769 . 1 1 74 74 TRP HD1 H 1 7.462 0.030 . 1 . . . . 74 TRP HD1 . 10074 1 770 . 1 1 74 74 TRP HE1 H 1 9.364 0.030 . 1 . . . . 74 TRP HE1 . 10074 1 771 . 1 1 74 74 TRP HE3 H 1 7.369 0.030 . 1 . . . . 74 TRP HE3 . 10074 1 772 . 1 1 74 74 TRP HZ2 H 1 7.441 0.030 . 1 . . . . 74 TRP HZ2 . 10074 1 773 . 1 1 74 74 TRP HZ3 H 1 6.596 0.030 . 1 . . . . 74 TRP HZ3 . 10074 1 774 . 1 1 74 74 TRP HH2 H 1 6.731 0.030 . 1 . . . . 74 TRP HH2 . 10074 1 775 . 1 1 74 74 TRP C C 13 176.166 0.300 . 1 . . . . 74 TRP C . 10074 1 776 . 1 1 74 74 TRP CA C 13 59.700 0.300 . 1 . . . . 74 TRP CA . 10074 1 777 . 1 1 74 74 TRP CB C 13 31.491 0.300 . 1 . . . . 74 TRP CB . 10074 1 778 . 1 1 74 74 TRP CD1 C 13 126.806 0.300 . 1 . . . . 74 TRP CD1 . 10074 1 779 . 1 1 74 74 TRP CE3 C 13 120.779 0.300 . 1 . . . . 74 TRP CE3 . 10074 1 780 . 1 1 74 74 TRP CZ2 C 13 114.302 0.300 . 1 . . . . 74 TRP CZ2 . 10074 1 781 . 1 1 74 74 TRP CZ3 C 13 120.888 0.300 . 1 . . . . 74 TRP CZ3 . 10074 1 782 . 1 1 74 74 TRP CH2 C 13 123.345 0.300 . 1 . . . . 74 TRP CH2 . 10074 1 783 . 1 1 74 74 TRP N N 15 121.038 0.300 . 1 . . . . 74 TRP N . 10074 1 784 . 1 1 74 74 TRP NE1 N 15 126.929 0.300 . 1 . . . . 74 TRP NE1 . 10074 1 785 . 1 1 75 75 GLU HA H 1 4.260 0.030 . 1 . . . . 75 GLU HA . 10074 1 786 . 1 1 75 75 GLU HB2 H 1 2.115 0.030 . 1 . . . . 75 GLU HB2 . 10074 1 787 . 1 1 75 75 GLU HB3 H 1 2.115 0.030 . 1 . . . . 75 GLU HB3 . 10074 1 788 . 1 1 75 75 GLU HG2 H 1 2.429 0.030 . 2 . . . . 75 GLU HG2 . 10074 1 789 . 1 1 75 75 GLU HG3 H 1 2.303 0.030 . 2 . . . . 75 GLU HG3 . 10074 1 790 . 1 1 75 75 GLU C C 13 176.956 0.300 . 1 . . . . 75 GLU C . 10074 1 791 . 1 1 75 75 GLU CA C 13 58.813 0.300 . 1 . . . . 75 GLU CA . 10074 1 792 . 1 1 75 75 GLU CB C 13 29.831 0.300 . 1 . . . . 75 GLU CB . 10074 1 793 . 1 1 75 75 GLU CG C 13 37.027 0.300 . 1 . . . . 75 GLU CG . 10074 1 794 . 1 1 76 76 GLU H H 1 8.597 0.030 . 1 . . . . 76 GLU H . 10074 1 795 . 1 1 76 76 GLU HA H 1 4.548 0.030 . 1 . . . . 76 GLU HA . 10074 1 796 . 1 1 76 76 GLU HB2 H 1 2.181 0.030 . 1 . . . . 76 GLU HB2 . 10074 1 797 . 1 1 76 76 GLU HB3 H 1 2.181 0.030 . 1 . . . . 76 GLU HB3 . 10074 1 798 . 1 1 76 76 GLU HG2 H 1 2.441 0.030 . 2 . . . . 76 GLU HG2 . 10074 1 799 . 1 1 76 76 GLU HG3 H 1 2.357 0.030 . 2 . . . . 76 GLU HG3 . 10074 1 800 . 1 1 76 76 GLU C C 13 176.223 0.300 . 1 . . . . 76 GLU C . 10074 1 801 . 1 1 76 76 GLU CA C 13 56.085 0.300 . 1 . . . . 76 GLU CA . 10074 1 802 . 1 1 76 76 GLU CB C 13 31.126 0.300 . 1 . . . . 76 GLU CB . 10074 1 803 . 1 1 76 76 GLU CG C 13 36.487 0.300 . 1 . . . . 76 GLU CG . 10074 1 804 . 1 1 76 76 GLU N N 15 118.987 0.300 . 1 . . . . 76 GLU N . 10074 1 805 . 1 1 77 77 GLY H H 1 8.374 0.030 . 1 . . . . 77 GLY H . 10074 1 806 . 1 1 77 77 GLY HA2 H 1 4.526 0.030 . 2 . . . . 77 GLY HA2 . 10074 1 807 . 1 1 77 77 GLY HA3 H 1 3.919 0.030 . 2 . . . . 77 GLY HA3 . 10074 1 808 . 1 1 77 77 GLY C C 13 173.322 0.300 . 1 . . . . 77 GLY C . 10074 1 809 . 1 1 77 77 GLY CA C 13 44.052 0.300 . 1 . . . . 77 GLY CA . 10074 1 810 . 1 1 77 77 GLY N N 15 110.122 0.300 . 1 . . . . 77 GLY N . 10074 1 811 . 1 1 78 78 LEU H H 1 8.969 0.030 . 1 . . . . 78 LEU H . 10074 1 812 . 1 1 78 78 LEU HA H 1 4.703 0.030 . 1 . . . . 78 LEU HA . 10074 1 813 . 1 1 78 78 LEU HB2 H 1 1.569 0.030 . 2 . . . . 78 LEU HB2 . 10074 1 814 . 1 1 78 78 LEU HB3 H 1 1.078 0.030 . 2 . . . . 78 LEU HB3 . 10074 1 815 . 1 1 78 78 LEU HG H 1 1.421 0.030 . 1 . . . . 78 LEU HG . 10074 1 816 . 1 1 78 78 LEU HD11 H 1 0.541 0.030 . 1 . . . . 78 LEU HD1 . 10074 1 817 . 1 1 78 78 LEU HD12 H 1 0.541 0.030 . 1 . . . . 78 LEU HD1 . 10074 1 818 . 1 1 78 78 LEU HD13 H 1 0.541 0.030 . 1 . . . . 78 LEU HD1 . 10074 1 819 . 1 1 78 78 LEU HD21 H 1 0.590 0.030 . 1 . . . . 78 LEU HD2 . 10074 1 820 . 1 1 78 78 LEU HD22 H 1 0.590 0.030 . 1 . . . . 78 LEU HD2 . 10074 1 821 . 1 1 78 78 LEU HD23 H 1 0.590 0.030 . 1 . . . . 78 LEU HD2 . 10074 1 822 . 1 1 78 78 LEU C C 13 176.133 0.300 . 1 . . . . 78 LEU C . 10074 1 823 . 1 1 78 78 LEU CA C 13 53.133 0.300 . 1 . . . . 78 LEU CA . 10074 1 824 . 1 1 78 78 LEU CB C 13 44.592 0.300 . 1 . . . . 78 LEU CB . 10074 1 825 . 1 1 78 78 LEU CG C 13 26.317 0.300 . 1 . . . . 78 LEU CG . 10074 1 826 . 1 1 78 78 LEU CD1 C 13 25.312 0.300 . 2 . . . . 78 LEU CD1 . 10074 1 827 . 1 1 78 78 LEU CD2 C 13 22.666 0.300 . 2 . . . . 78 LEU CD2 . 10074 1 828 . 1 1 78 78 LEU N N 15 118.152 0.300 . 1 . . . . 78 LEU N . 10074 1 829 . 1 1 79 79 VAL H H 1 8.257 0.030 . 1 . . . . 79 VAL H . 10074 1 830 . 1 1 79 79 VAL HA H 1 4.573 0.030 . 1 . . . . 79 VAL HA . 10074 1 831 . 1 1 79 79 VAL HB H 1 1.792 0.030 . 1 . . . . 79 VAL HB . 10074 1 832 . 1 1 79 79 VAL HG11 H 1 0.704 0.030 . 1 . . . . 79 VAL HG1 . 10074 1 833 . 1 1 79 79 VAL HG12 H 1 0.704 0.030 . 1 . . . . 79 VAL HG1 . 10074 1 834 . 1 1 79 79 VAL HG13 H 1 0.704 0.030 . 1 . . . . 79 VAL HG1 . 10074 1 835 . 1 1 79 79 VAL HG21 H 1 0.542 0.030 . 1 . . . . 79 VAL HG2 . 10074 1 836 . 1 1 79 79 VAL HG22 H 1 0.542 0.030 . 1 . . . . 79 VAL HG2 . 10074 1 837 . 1 1 79 79 VAL HG23 H 1 0.542 0.030 . 1 . . . . 79 VAL HG2 . 10074 1 838 . 1 1 79 79 VAL C C 13 174.981 0.300 . 1 . . . . 79 VAL C . 10074 1 839 . 1 1 79 79 VAL CA C 13 61.744 0.300 . 1 . . . . 79 VAL CA . 10074 1 840 . 1 1 79 79 VAL CB C 13 33.371 0.300 . 1 . . . . 79 VAL CB . 10074 1 841 . 1 1 79 79 VAL CG1 C 13 21.154 0.300 . 2 . . . . 79 VAL CG1 . 10074 1 842 . 1 1 79 79 VAL CG2 C 13 20.856 0.300 . 2 . . . . 79 VAL CG2 . 10074 1 843 . 1 1 79 79 VAL N N 15 123.146 0.300 . 1 . . . . 79 VAL N . 10074 1 844 . 1 1 80 80 LEU H H 1 9.091 0.030 . 1 . . . . 80 LEU H . 10074 1 845 . 1 1 80 80 LEU HA H 1 4.939 0.030 . 1 . . . . 80 LEU HA . 10074 1 846 . 1 1 80 80 LEU HB2 H 1 1.542 0.030 . 2 . . . . 80 LEU HB2 . 10074 1 847 . 1 1 80 80 LEU HB3 H 1 1.218 0.030 . 2 . . . . 80 LEU HB3 . 10074 1 848 . 1 1 80 80 LEU HG H 1 1.323 0.030 . 1 . . . . 80 LEU HG . 10074 1 849 . 1 1 80 80 LEU HD11 H 1 0.621 0.030 . 1 . . . . 80 LEU HD1 . 10074 1 850 . 1 1 80 80 LEU HD12 H 1 0.621 0.030 . 1 . . . . 80 LEU HD1 . 10074 1 851 . 1 1 80 80 LEU HD13 H 1 0.621 0.030 . 1 . . . . 80 LEU HD1 . 10074 1 852 . 1 1 80 80 LEU HD21 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10074 1 853 . 1 1 80 80 LEU HD22 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10074 1 854 . 1 1 80 80 LEU HD23 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10074 1 855 . 1 1 80 80 LEU C C 13 172.836 0.300 . 1 . . . . 80 LEU C . 10074 1 856 . 1 1 80 80 LEU CA C 13 50.909 0.300 . 1 . . . . 80 LEU CA . 10074 1 857 . 1 1 80 80 LEU CB C 13 44.289 0.300 . 1 . . . . 80 LEU CB . 10074 1 858 . 1 1 80 80 LEU CG C 13 26.866 0.300 . 1 . . . . 80 LEU CG . 10074 1 859 . 1 1 80 80 LEU CD1 C 13 26.653 0.300 . 2 . . . . 80 LEU CD1 . 10074 1 860 . 1 1 80 80 LEU CD2 C 13 25.354 0.300 . 2 . . . . 80 LEU CD2 . 10074 1 861 . 1 1 80 80 LEU N N 15 127.981 0.300 . 1 . . . . 80 LEU N . 10074 1 862 . 1 1 81 81 PRO HA H 1 4.634 0.030 . 1 . . . . 81 PRO HA . 10074 1 863 . 1 1 81 81 PRO HB2 H 1 2.373 0.030 . 2 . . . . 81 PRO HB2 . 10074 1 864 . 1 1 81 81 PRO HB3 H 1 1.973 0.030 . 2 . . . . 81 PRO HB3 . 10074 1 865 . 1 1 81 81 PRO HG2 H 1 2.240 0.030 . 2 . . . . 81 PRO HG2 . 10074 1 866 . 1 1 81 81 PRO HG3 H 1 2.063 0.030 . 2 . . . . 81 PRO HG3 . 10074 1 867 . 1 1 81 81 PRO HD2 H 1 3.760 0.030 . 2 . . . . 81 PRO HD2 . 10074 1 868 . 1 1 81 81 PRO HD3 H 1 3.621 0.030 . 2 . . . . 81 PRO HD3 . 10074 1 869 . 1 1 81 81 PRO C C 13 175.994 0.300 . 1 . . . . 81 PRO C . 10074 1 870 . 1 1 81 81 PRO CA C 13 63.044 0.300 . 1 . . . . 81 PRO CA . 10074 1 871 . 1 1 81 81 PRO CB C 13 32.103 0.300 . 1 . . . . 81 PRO CB . 10074 1 872 . 1 1 81 81 PRO CG C 13 27.656 0.300 . 1 . . . . 81 PRO CG . 10074 1 873 . 1 1 81 81 PRO CD C 13 50.690 0.300 . 1 . . . . 81 PRO CD . 10074 1 874 . 1 1 82 82 LEU H H 1 8.036 0.030 . 1 . . . . 82 LEU H . 10074 1 875 . 1 1 82 82 LEU HA H 1 4.302 0.030 . 1 . . . . 82 LEU HA . 10074 1 876 . 1 1 82 82 LEU HB2 H 1 1.568 0.030 . 2 . . . . 82 LEU HB2 . 10074 1 877 . 1 1 82 82 LEU HB3 H 1 1.452 0.030 . 2 . . . . 82 LEU HB3 . 10074 1 878 . 1 1 82 82 LEU HG H 1 1.430 0.030 . 1 . . . . 82 LEU HG . 10074 1 879 . 1 1 82 82 LEU HD11 H 1 0.608 0.030 . 1 . . . . 82 LEU HD1 . 10074 1 880 . 1 1 82 82 LEU HD12 H 1 0.608 0.030 . 1 . . . . 82 LEU HD1 . 10074 1 881 . 1 1 82 82 LEU HD13 H 1 0.608 0.030 . 1 . . . . 82 LEU HD1 . 10074 1 882 . 1 1 82 82 LEU HD21 H 1 0.761 0.030 . 1 . . . . 82 LEU HD2 . 10074 1 883 . 1 1 82 82 LEU HD22 H 1 0.761 0.030 . 1 . . . . 82 LEU HD2 . 10074 1 884 . 1 1 82 82 LEU HD23 H 1 0.761 0.030 . 1 . . . . 82 LEU HD2 . 10074 1 885 . 1 1 82 82 LEU C C 13 173.714 0.300 . 1 . . . . 82 LEU C . 10074 1 886 . 1 1 82 82 LEU CA C 13 55.233 0.300 . 1 . . . . 82 LEU CA . 10074 1 887 . 1 1 82 82 LEU CB C 13 44.519 0.300 . 1 . . . . 82 LEU CB . 10074 1 888 . 1 1 82 82 LEU CG C 13 26.466 0.300 . 1 . . . . 82 LEU CG . 10074 1 889 . 1 1 82 82 LEU CD1 C 13 28.145 0.300 . 2 . . . . 82 LEU CD1 . 10074 1 890 . 1 1 82 82 LEU CD2 C 13 23.908 0.300 . 2 . . . . 82 LEU CD2 . 10074 1 891 . 1 1 82 82 LEU N N 15 122.397 0.300 . 1 . . . . 82 LEU N . 10074 1 892 . 1 1 83 83 ALA H H 1 9.035 0.030 . 1 . . . . 83 ALA H . 10074 1 893 . 1 1 83 83 ALA HA H 1 4.346 0.030 . 1 . . . . 83 ALA HA . 10074 1 894 . 1 1 83 83 ALA HB1 H 1 1.477 0.030 . 1 . . . . 83 ALA HB . 10074 1 895 . 1 1 83 83 ALA HB2 H 1 1.477 0.030 . 1 . . . . 83 ALA HB . 10074 1 896 . 1 1 83 83 ALA HB3 H 1 1.477 0.030 . 1 . . . . 83 ALA HB . 10074 1 897 . 1 1 83 83 ALA C C 13 178.353 0.300 . 1 . . . . 83 ALA C . 10074 1 898 . 1 1 83 83 ALA CA C 13 52.322 0.300 . 1 . . . . 83 ALA CA . 10074 1 899 . 1 1 83 83 ALA CB C 13 19.140 0.300 . 1 . . . . 83 ALA CB . 10074 1 900 . 1 1 83 83 ALA N N 15 132.091 0.300 . 1 . . . . 83 ALA N . 10074 1 901 . 1 1 84 84 GLU H H 1 8.958 0.030 . 1 . . . . 84 GLU H . 10074 1 902 . 1 1 84 84 GLU HA H 1 3.723 0.030 . 1 . . . . 84 GLU HA . 10074 1 903 . 1 1 84 84 GLU HB2 H 1 2.392 0.030 . 2 . . . . 84 GLU HB2 . 10074 1 904 . 1 1 84 84 GLU HB3 H 1 2.066 0.030 . 2 . . . . 84 GLU HB3 . 10074 1 905 . 1 1 84 84 GLU HG2 H 1 2.333 0.030 . 2 . . . . 84 GLU HG2 . 10074 1 906 . 1 1 84 84 GLU HG3 H 1 2.281 0.030 . 2 . . . . 84 GLU HG3 . 10074 1 907 . 1 1 84 84 GLU C C 13 179.666 0.300 . 1 . . . . 84 GLU C . 10074 1 908 . 1 1 84 84 GLU CA C 13 60.089 0.300 . 1 . . . . 84 GLU CA . 10074 1 909 . 1 1 84 84 GLU CB C 13 29.992 0.300 . 1 . . . . 84 GLU CB . 10074 1 910 . 1 1 84 84 GLU CG C 13 36.467 0.300 . 1 . . . . 84 GLU CG . 10074 1 911 . 1 1 84 84 GLU N N 15 126.521 0.300 . 1 . . . . 84 GLU N . 10074 1 912 . 1 1 85 85 GLU H H 1 9.214 0.030 . 1 . . . . 85 GLU H . 10074 1 913 . 1 1 85 85 GLU HA H 1 4.124 0.030 . 1 . . . . 85 GLU HA . 10074 1 914 . 1 1 85 85 GLU HB2 H 1 2.048 0.030 . 1 . . . . 85 GLU HB2 . 10074 1 915 . 1 1 85 85 GLU HB3 H 1 2.048 0.030 . 1 . . . . 85 GLU HB3 . 10074 1 916 . 1 1 85 85 GLU HG2 H 1 2.246 0.030 . 1 . . . . 85 GLU HG2 . 10074 1 917 . 1 1 85 85 GLU HG3 H 1 2.246 0.030 . 1 . . . . 85 GLU HG3 . 10074 1 918 . 1 1 85 85 GLU C C 13 177.185 0.300 . 1 . . . . 85 GLU C . 10074 1 919 . 1 1 85 85 GLU CA C 13 58.187 0.300 . 1 . . . . 85 GLU CA . 10074 1 920 . 1 1 85 85 GLU CB C 13 28.749 0.300 . 1 . . . . 85 GLU CB . 10074 1 921 . 1 1 85 85 GLU CG C 13 35.990 0.300 . 1 . . . . 85 GLU CG . 10074 1 922 . 1 1 85 85 GLU N N 15 116.526 0.300 . 1 . . . . 85 GLU N . 10074 1 923 . 1 1 86 86 GLU H H 1 7.746 0.030 . 1 . . . . 86 GLU H . 10074 1 924 . 1 1 86 86 GLU HA H 1 4.232 0.030 . 1 . . . . 86 GLU HA . 10074 1 925 . 1 1 86 86 GLU HB2 H 1 2.209 0.030 . 2 . . . . 86 GLU HB2 . 10074 1 926 . 1 1 86 86 GLU HB3 H 1 2.047 0.030 . 2 . . . . 86 GLU HB3 . 10074 1 927 . 1 1 86 86 GLU HG2 H 1 2.344 0.030 . 2 . . . . 86 GLU HG2 . 10074 1 928 . 1 1 86 86 GLU HG3 H 1 2.121 0.030 . 2 . . . . 86 GLU HG3 . 10074 1 929 . 1 1 86 86 GLU C C 13 176.754 0.300 . 1 . . . . 86 GLU C . 10074 1 930 . 1 1 86 86 GLU CA C 13 56.079 0.300 . 1 . . . . 86 GLU CA . 10074 1 931 . 1 1 86 86 GLU CB C 13 30.390 0.300 . 1 . . . . 86 GLU CB . 10074 1 932 . 1 1 86 86 GLU CG C 13 37.047 0.300 . 1 . . . . 86 GLU CG . 10074 1 933 . 1 1 86 86 GLU N N 15 115.903 0.300 . 1 . . . . 86 GLU N . 10074 1 934 . 1 1 87 87 LEU H H 1 7.238 0.030 . 1 . . . . 87 LEU H . 10074 1 935 . 1 1 87 87 LEU HA H 1 3.804 0.030 . 1 . . . . 87 LEU HA . 10074 1 936 . 1 1 87 87 LEU HB2 H 1 1.532 0.030 . 2 . . . . 87 LEU HB2 . 10074 1 937 . 1 1 87 87 LEU HB3 H 1 1.435 0.030 . 2 . . . . 87 LEU HB3 . 10074 1 938 . 1 1 87 87 LEU HG H 1 1.346 0.030 . 1 . . . . 87 LEU HG . 10074 1 939 . 1 1 87 87 LEU HD11 H 1 0.332 0.030 . 1 . . . . 87 LEU HD1 . 10074 1 940 . 1 1 87 87 LEU HD12 H 1 0.332 0.030 . 1 . . . . 87 LEU HD1 . 10074 1 941 . 1 1 87 87 LEU HD13 H 1 0.332 0.030 . 1 . . . . 87 LEU HD1 . 10074 1 942 . 1 1 87 87 LEU HD21 H 1 0.332 0.030 . 1 . . . . 87 LEU HD2 . 10074 1 943 . 1 1 87 87 LEU HD22 H 1 0.332 0.030 . 1 . . . . 87 LEU HD2 . 10074 1 944 . 1 1 87 87 LEU HD23 H 1 0.332 0.030 . 1 . . . . 87 LEU HD2 . 10074 1 945 . 1 1 87 87 LEU C C 13 174.554 0.300 . 1 . . . . 87 LEU C . 10074 1 946 . 1 1 87 87 LEU CA C 13 60.381 0.300 . 1 . . . . 87 LEU CA . 10074 1 947 . 1 1 87 87 LEU CB C 13 39.379 0.300 . 1 . . . . 87 LEU CB . 10074 1 948 . 1 1 87 87 LEU CG C 13 26.917 0.300 . 1 . . . . 87 LEU CG . 10074 1 949 . 1 1 87 87 LEU CD1 C 13 24.894 0.300 . 2 . . . . 87 LEU CD1 . 10074 1 950 . 1 1 87 87 LEU CD2 C 13 23.590 0.300 . 2 . . . . 87 LEU CD2 . 10074 1 951 . 1 1 87 87 LEU N N 15 121.048 0.300 . 1 . . . . 87 LEU N . 10074 1 952 . 1 1 88 88 PRO HA H 1 4.192 0.030 . 1 . . . . 88 PRO HA . 10074 1 953 . 1 1 88 88 PRO HB2 H 1 2.413 0.030 . 2 . . . . 88 PRO HB2 . 10074 1 954 . 1 1 88 88 PRO HB3 H 1 1.815 0.030 . 2 . . . . 88 PRO HB3 . 10074 1 955 . 1 1 88 88 PRO HG2 H 1 2.016 0.030 . 2 . . . . 88 PRO HG2 . 10074 1 956 . 1 1 88 88 PRO HG3 H 1 1.921 0.030 . 2 . . . . 88 PRO HG3 . 10074 1 957 . 1 1 88 88 PRO HD2 H 1 3.643 0.030 . 2 . . . . 88 PRO HD2 . 10074 1 958 . 1 1 88 88 PRO HD3 H 1 3.434 0.030 . 2 . . . . 88 PRO HD3 . 10074 1 959 . 1 1 88 88 PRO C C 13 177.661 0.300 . 1 . . . . 88 PRO C . 10074 1 960 . 1 1 88 88 PRO CA C 13 65.818 0.300 . 1 . . . . 88 PRO CA . 10074 1 961 . 1 1 88 88 PRO CB C 13 31.824 0.300 . 1 . . . . 88 PRO CB . 10074 1 962 . 1 1 88 88 PRO CG C 13 28.192 0.300 . 1 . . . . 88 PRO CG . 10074 1 963 . 1 1 88 88 PRO CD C 13 50.237 0.300 . 1 . . . . 88 PRO CD . 10074 1 964 . 1 1 89 89 THR H H 1 7.190 0.030 . 1 . . . . 89 THR H . 10074 1 965 . 1 1 89 89 THR HA H 1 4.519 0.030 . 1 . . . . 89 THR HA . 10074 1 966 . 1 1 89 89 THR HB H 1 4.455 0.030 . 1 . . . . 89 THR HB . 10074 1 967 . 1 1 89 89 THR HG21 H 1 1.106 0.030 . 1 . . . . 89 THR HG2 . 10074 1 968 . 1 1 89 89 THR HG22 H 1 1.106 0.030 . 1 . . . . 89 THR HG2 . 10074 1 969 . 1 1 89 89 THR HG23 H 1 1.106 0.030 . 1 . . . . 89 THR HG2 . 10074 1 970 . 1 1 89 89 THR C C 13 174.416 0.300 . 1 . . . . 89 THR C . 10074 1 971 . 1 1 89 89 THR CA C 13 60.363 0.300 . 1 . . . . 89 THR CA . 10074 1 972 . 1 1 89 89 THR CB C 13 69.887 0.300 . 1 . . . . 89 THR CB . 10074 1 973 . 1 1 89 89 THR CG2 C 13 21.724 0.300 . 1 . . . . 89 THR CG2 . 10074 1 974 . 1 1 89 89 THR N N 15 102.282 0.300 . 1 . . . . 89 THR N . 10074 1 975 . 1 1 90 90 ALA H H 1 7.873 0.030 . 1 . . . . 90 ALA H . 10074 1 976 . 1 1 90 90 ALA HA H 1 4.760 0.030 . 1 . . . . 90 ALA HA . 10074 1 977 . 1 1 90 90 ALA HB1 H 1 1.348 0.030 . 1 . . . . 90 ALA HB . 10074 1 978 . 1 1 90 90 ALA HB2 H 1 1.348 0.030 . 1 . . . . 90 ALA HB . 10074 1 979 . 1 1 90 90 ALA HB3 H 1 1.348 0.030 . 1 . . . . 90 ALA HB . 10074 1 980 . 1 1 90 90 ALA C C 13 177.137 0.300 . 1 . . . . 90 ALA C . 10074 1 981 . 1 1 90 90 ALA CA C 13 52.622 0.300 . 1 . . . . 90 ALA CA . 10074 1 982 . 1 1 90 90 ALA CB C 13 21.349 0.300 . 1 . . . . 90 ALA CB . 10074 1 983 . 1 1 90 90 ALA N N 15 126.509 0.300 . 1 . . . . 90 ALA N . 10074 1 984 . 1 1 91 91 THR H H 1 8.071 0.030 . 1 . . . . 91 THR H . 10074 1 985 . 1 1 91 91 THR HA H 1 4.772 0.030 . 1 . . . . 91 THR HA . 10074 1 986 . 1 1 91 91 THR HB H 1 3.852 0.030 . 1 . . . . 91 THR HB . 10074 1 987 . 1 1 91 91 THR HG21 H 1 1.006 0.030 . 1 . . . . 91 THR HG2 . 10074 1 988 . 1 1 91 91 THR HG22 H 1 1.006 0.030 . 1 . . . . 91 THR HG2 . 10074 1 989 . 1 1 91 91 THR HG23 H 1 1.006 0.030 . 1 . . . . 91 THR HG2 . 10074 1 990 . 1 1 91 91 THR C C 13 173.279 0.300 . 1 . . . . 91 THR C . 10074 1 991 . 1 1 91 91 THR CA C 13 61.391 0.300 . 1 . . . . 91 THR CA . 10074 1 992 . 1 1 91 91 THR CB C 13 71.864 0.300 . 1 . . . . 91 THR CB . 10074 1 993 . 1 1 91 91 THR CG2 C 13 21.335 0.300 . 1 . . . . 91 THR CG2 . 10074 1 994 . 1 1 91 91 THR N N 15 112.964 0.300 . 1 . . . . 91 THR N . 10074 1 995 . 1 1 92 92 LEU H H 1 9.253 0.030 . 1 . . . . 92 LEU H . 10074 1 996 . 1 1 92 92 LEU HA H 1 5.105 0.030 . 1 . . . . 92 LEU HA . 10074 1 997 . 1 1 92 92 LEU HB2 H 1 1.831 0.030 . 2 . . . . 92 LEU HB2 . 10074 1 998 . 1 1 92 92 LEU HB3 H 1 1.125 0.030 . 2 . . . . 92 LEU HB3 . 10074 1 999 . 1 1 92 92 LEU HG H 1 1.174 0.030 . 1 . . . . 92 LEU HG . 10074 1 1000 . 1 1 92 92 LEU HD11 H 1 0.695 0.030 . 1 . . . . 92 LEU HD1 . 10074 1 1001 . 1 1 92 92 LEU HD12 H 1 0.695 0.030 . 1 . . . . 92 LEU HD1 . 10074 1 1002 . 1 1 92 92 LEU HD13 H 1 0.695 0.030 . 1 . . . . 92 LEU HD1 . 10074 1 1003 . 1 1 92 92 LEU HD21 H 1 0.611 0.030 . 1 . . . . 92 LEU HD2 . 10074 1 1004 . 1 1 92 92 LEU HD22 H 1 0.611 0.030 . 1 . . . . 92 LEU HD2 . 10074 1 1005 . 1 1 92 92 LEU HD23 H 1 0.611 0.030 . 1 . . . . 92 LEU HD2 . 10074 1 1006 . 1 1 92 92 LEU C C 13 174.197 0.300 . 1 . . . . 92 LEU C . 10074 1 1007 . 1 1 92 92 LEU CA C 13 53.131 0.300 . 1 . . . . 92 LEU CA . 10074 1 1008 . 1 1 92 92 LEU CB C 13 45.233 0.300 . 1 . . . . 92 LEU CB . 10074 1 1009 . 1 1 92 92 LEU CG C 13 27.804 0.300 . 1 . . . . 92 LEU CG . 10074 1 1010 . 1 1 92 92 LEU CD1 C 13 28.527 0.300 . 2 . . . . 92 LEU CD1 . 10074 1 1011 . 1 1 92 92 LEU CD2 C 13 23.352 0.300 . 2 . . . . 92 LEU CD2 . 10074 1 1012 . 1 1 92 92 LEU N N 15 129.160 0.300 . 1 . . . . 92 LEU N . 10074 1 1013 . 1 1 93 93 THR H H 1 9.432 0.030 . 1 . . . . 93 THR H . 10074 1 1014 . 1 1 93 93 THR HA H 1 5.123 0.030 . 1 . . . . 93 THR HA . 10074 1 1015 . 1 1 93 93 THR HB H 1 3.951 0.030 . 1 . . . . 93 THR HB . 10074 1 1016 . 1 1 93 93 THR HG21 H 1 1.020 0.030 . 1 . . . . 93 THR HG2 . 10074 1 1017 . 1 1 93 93 THR HG22 H 1 1.020 0.030 . 1 . . . . 93 THR HG2 . 10074 1 1018 . 1 1 93 93 THR HG23 H 1 1.020 0.030 . 1 . . . . 93 THR HG2 . 10074 1 1019 . 1 1 93 93 THR C C 13 175.026 0.300 . 1 . . . . 93 THR C . 10074 1 1020 . 1 1 93 93 THR CA C 13 61.849 0.300 . 1 . . . . 93 THR CA . 10074 1 1021 . 1 1 93 93 THR CB C 13 69.597 0.300 . 1 . . . . 93 THR CB . 10074 1 1022 . 1 1 93 93 THR CG2 C 13 21.500 0.300 . 1 . . . . 93 THR CG2 . 10074 1 1023 . 1 1 93 93 THR N N 15 123.913 0.300 . 1 . . . . 93 THR N . 10074 1 1024 . 1 1 94 94 LEU H H 1 9.271 0.030 . 1 . . . . 94 LEU H . 10074 1 1025 . 1 1 94 94 LEU HA H 1 5.218 0.030 . 1 . . . . 94 LEU HA . 10074 1 1026 . 1 1 94 94 LEU HB2 H 1 1.511 0.030 . 2 . . . . 94 LEU HB2 . 10074 1 1027 . 1 1 94 94 LEU HB3 H 1 0.867 0.030 . 2 . . . . 94 LEU HB3 . 10074 1 1028 . 1 1 94 94 LEU HG H 1 1.235 0.030 . 1 . . . . 94 LEU HG . 10074 1 1029 . 1 1 94 94 LEU HD11 H 1 0.295 0.030 . 1 . . . . 94 LEU HD1 . 10074 1 1030 . 1 1 94 94 LEU HD12 H 1 0.295 0.030 . 1 . . . . 94 LEU HD1 . 10074 1 1031 . 1 1 94 94 LEU HD13 H 1 0.295 0.030 . 1 . . . . 94 LEU HD1 . 10074 1 1032 . 1 1 94 94 LEU HD21 H 1 0.650 0.030 . 1 . . . . 94 LEU HD2 . 10074 1 1033 . 1 1 94 94 LEU HD22 H 1 0.650 0.030 . 1 . . . . 94 LEU HD2 . 10074 1 1034 . 1 1 94 94 LEU HD23 H 1 0.650 0.030 . 1 . . . . 94 LEU HD2 . 10074 1 1035 . 1 1 94 94 LEU C C 13 175.267 0.300 . 1 . . . . 94 LEU C . 10074 1 1036 . 1 1 94 94 LEU CA C 13 52.955 0.300 . 1 . . . . 94 LEU CA . 10074 1 1037 . 1 1 94 94 LEU CB C 13 44.134 0.300 . 1 . . . . 94 LEU CB . 10074 1 1038 . 1 1 94 94 LEU CG C 13 26.708 0.300 . 1 . . . . 94 LEU CG . 10074 1 1039 . 1 1 94 94 LEU CD1 C 13 25.542 0.300 . 2 . . . . 94 LEU CD1 . 10074 1 1040 . 1 1 94 94 LEU CD2 C 13 24.038 0.300 . 2 . . . . 94 LEU CD2 . 10074 1 1041 . 1 1 94 94 LEU N N 15 129.597 0.300 . 1 . . . . 94 LEU N . 10074 1 1042 . 1 1 95 95 THR H H 1 9.308 0.030 . 1 . . . . 95 THR H . 10074 1 1043 . 1 1 95 95 THR HA H 1 5.038 0.030 . 1 . . . . 95 THR HA . 10074 1 1044 . 1 1 95 95 THR HB H 1 3.876 0.030 . 1 . . . . 95 THR HB . 10074 1 1045 . 1 1 95 95 THR HG21 H 1 1.227 0.030 . 1 . . . . 95 THR HG2 . 10074 1 1046 . 1 1 95 95 THR HG22 H 1 1.227 0.030 . 1 . . . . 95 THR HG2 . 10074 1 1047 . 1 1 95 95 THR HG23 H 1 1.227 0.030 . 1 . . . . 95 THR HG2 . 10074 1 1048 . 1 1 95 95 THR C C 13 173.098 0.300 . 1 . . . . 95 THR C . 10074 1 1049 . 1 1 95 95 THR CA C 13 59.765 0.300 . 1 . . . . 95 THR CA . 10074 1 1050 . 1 1 95 95 THR CB C 13 71.307 0.300 . 1 . . . . 95 THR CB . 10074 1 1051 . 1 1 95 95 THR CG2 C 13 23.679 0.300 . 1 . . . . 95 THR CG2 . 10074 1 1052 . 1 1 95 95 THR N N 15 114.411 0.300 . 1 . . . . 95 THR N . 10074 1 1053 . 1 1 96 96 LEU H H 1 8.196 0.030 . 1 . . . . 96 LEU H . 10074 1 1054 . 1 1 96 96 LEU HA H 1 4.703 0.030 . 1 . . . . 96 LEU HA . 10074 1 1055 . 1 1 96 96 LEU HB2 H 1 1.756 0.030 . 2 . . . . 96 LEU HB2 . 10074 1 1056 . 1 1 96 96 LEU HB3 H 1 1.001 0.030 . 2 . . . . 96 LEU HB3 . 10074 1 1057 . 1 1 96 96 LEU HG H 1 1.312 0.030 . 1 . . . . 96 LEU HG . 10074 1 1058 . 1 1 96 96 LEU HD11 H 1 0.761 0.030 . 1 . . . . 96 LEU HD1 . 10074 1 1059 . 1 1 96 96 LEU HD12 H 1 0.761 0.030 . 1 . . . . 96 LEU HD1 . 10074 1 1060 . 1 1 96 96 LEU HD13 H 1 0.761 0.030 . 1 . . . . 96 LEU HD1 . 10074 1 1061 . 1 1 96 96 LEU HD21 H 1 0.908 0.030 . 1 . . . . 96 LEU HD2 . 10074 1 1062 . 1 1 96 96 LEU HD22 H 1 0.908 0.030 . 1 . . . . 96 LEU HD2 . 10074 1 1063 . 1 1 96 96 LEU HD23 H 1 0.908 0.030 . 1 . . . . 96 LEU HD2 . 10074 1 1064 . 1 1 96 96 LEU C C 13 174.370 0.300 . 1 . . . . 96 LEU C . 10074 1 1065 . 1 1 96 96 LEU CA C 13 53.544 0.300 . 1 . . . . 96 LEU CA . 10074 1 1066 . 1 1 96 96 LEU CB C 13 44.239 0.300 . 1 . . . . 96 LEU CB . 10074 1 1067 . 1 1 96 96 LEU CG C 13 27.742 0.300 . 1 . . . . 96 LEU CG . 10074 1 1068 . 1 1 96 96 LEU CD1 C 13 26.365 0.300 . 2 . . . . 96 LEU CD1 . 10074 1 1069 . 1 1 96 96 LEU CD2 C 13 23.931 0.300 . 2 . . . . 96 LEU CD2 . 10074 1 1070 . 1 1 96 96 LEU N N 15 125.854 0.300 . 1 . . . . 96 LEU N . 10074 1 1071 . 1 1 97 97 ARG H H 1 8.990 0.030 . 1 . . . . 97 ARG H . 10074 1 1072 . 1 1 97 97 ARG HA H 1 5.136 0.030 . 1 . . . . 97 ARG HA . 10074 1 1073 . 1 1 97 97 ARG HB2 H 1 1.335 0.030 . 2 . . . . 97 ARG HB2 . 10074 1 1074 . 1 1 97 97 ARG HB3 H 1 0.066 0.030 . 2 . . . . 97 ARG HB3 . 10074 1 1075 . 1 1 97 97 ARG HG2 H 1 1.244 0.030 . 1 . . . . 97 ARG HG2 . 10074 1 1076 . 1 1 97 97 ARG HG3 H 1 1.244 0.030 . 1 . . . . 97 ARG HG3 . 10074 1 1077 . 1 1 97 97 ARG HD2 H 1 2.979 0.030 . 2 . . . . 97 ARG HD2 . 10074 1 1078 . 1 1 97 97 ARG HD3 H 1 2.889 0.030 . 2 . . . . 97 ARG HD3 . 10074 1 1079 . 1 1 97 97 ARG C C 13 174.682 0.300 . 1 . . . . 97 ARG C . 10074 1 1080 . 1 1 97 97 ARG CA C 13 54.475 0.300 . 1 . . . . 97 ARG CA . 10074 1 1081 . 1 1 97 97 ARG CB C 13 32.251 0.300 . 1 . . . . 97 ARG CB . 10074 1 1082 . 1 1 97 97 ARG CG C 13 29.130 0.300 . 1 . . . . 97 ARG CG . 10074 1 1083 . 1 1 97 97 ARG CD C 13 43.426 0.300 . 1 . . . . 97 ARG CD . 10074 1 1084 . 1 1 97 97 ARG N N 15 128.291 0.300 . 1 . . . . 97 ARG N . 10074 1 1085 . 1 1 98 98 THR H H 1 8.724 0.030 . 1 . . . . 98 THR H . 10074 1 1086 . 1 1 98 98 THR HA H 1 5.288 0.030 . 1 . . . . 98 THR HA . 10074 1 1087 . 1 1 98 98 THR HB H 1 4.231 0.030 . 1 . . . . 98 THR HB . 10074 1 1088 . 1 1 98 98 THR HG21 H 1 1.028 0.030 . 1 . . . . 98 THR HG2 . 10074 1 1089 . 1 1 98 98 THR HG22 H 1 1.028 0.030 . 1 . . . . 98 THR HG2 . 10074 1 1090 . 1 1 98 98 THR HG23 H 1 1.028 0.030 . 1 . . . . 98 THR HG2 . 10074 1 1091 . 1 1 98 98 THR C C 13 173.529 0.300 . 1 . . . . 98 THR C . 10074 1 1092 . 1 1 98 98 THR CA C 13 59.123 0.300 . 1 . . . . 98 THR CA . 10074 1 1093 . 1 1 98 98 THR CB C 13 71.690 0.300 . 1 . . . . 98 THR CB . 10074 1 1094 . 1 1 98 98 THR CG2 C 13 21.562 0.300 . 1 . . . . 98 THR CG2 . 10074 1 1095 . 1 1 98 98 THR N N 15 109.692 0.300 . 1 . . . . 98 THR N . 10074 1 1096 . 1 1 99 99 CYS H H 1 8.587 0.030 . 1 . . . . 99 CYS H . 10074 1 1097 . 1 1 99 99 CYS HA H 1 5.083 0.030 . 1 . . . . 99 CYS HA . 10074 1 1098 . 1 1 99 99 CYS HB2 H 1 2.615 0.030 . 2 . . . . 99 CYS HB2 . 10074 1 1099 . 1 1 99 99 CYS HB3 H 1 2.188 0.030 . 2 . . . . 99 CYS HB3 . 10074 1 1100 . 1 1 99 99 CYS C C 13 173.935 0.300 . 1 . . . . 99 CYS C . 10074 1 1101 . 1 1 99 99 CYS CA C 13 57.183 0.300 . 1 . . . . 99 CYS CA . 10074 1 1102 . 1 1 99 99 CYS CB C 13 29.574 0.300 . 1 . . . . 99 CYS CB . 10074 1 1103 . 1 1 99 99 CYS N N 15 119.518 0.300 . 1 . . . . 99 CYS N . 10074 1 1104 . 1 1 100 100 ASP H H 1 8.153 0.030 . 1 . . . . 100 ASP H . 10074 1 1105 . 1 1 100 100 ASP HA H 1 4.993 0.030 . 1 . . . . 100 ASP HA . 10074 1 1106 . 1 1 100 100 ASP HB2 H 1 3.430 0.030 . 2 . . . . 100 ASP HB2 . 10074 1 1107 . 1 1 100 100 ASP HB3 H 1 2.852 0.030 . 2 . . . . 100 ASP HB3 . 10074 1 1108 . 1 1 100 100 ASP C C 13 177.962 0.300 . 1 . . . . 100 ASP C . 10074 1 1109 . 1 1 100 100 ASP CA C 13 53.105 0.300 . 1 . . . . 100 ASP CA . 10074 1 1110 . 1 1 100 100 ASP CB C 13 42.472 0.300 . 1 . . . . 100 ASP CB . 10074 1 1111 . 1 1 100 100 ASP N N 15 126.406 0.300 . 1 . . . . 100 ASP N . 10074 1 1112 . 1 1 101 101 ARG H H 1 8.358 0.030 . 1 . . . . 101 ARG H . 10074 1 1113 . 1 1 101 101 ARG HA H 1 4.133 0.030 . 1 . . . . 101 ARG HA . 10074 1 1114 . 1 1 101 101 ARG HB2 H 1 1.617 0.030 . 2 . . . . 101 ARG HB2 . 10074 1 1115 . 1 1 101 101 ARG HB3 H 1 1.524 0.030 . 2 . . . . 101 ARG HB3 . 10074 1 1116 . 1 1 101 101 ARG HG2 H 1 1.241 0.030 . 2 . . . . 101 ARG HG2 . 10074 1 1117 . 1 1 101 101 ARG HG3 H 1 0.750 0.030 . 2 . . . . 101 ARG HG3 . 10074 1 1118 . 1 1 101 101 ARG HD2 H 1 2.965 0.030 . 1 . . . . 101 ARG HD2 . 10074 1 1119 . 1 1 101 101 ARG HD3 H 1 2.965 0.030 . 1 . . . . 101 ARG HD3 . 10074 1 1120 . 1 1 101 101 ARG C C 13 176.368 0.300 . 1 . . . . 101 ARG C . 10074 1 1121 . 1 1 101 101 ARG CA C 13 57.584 0.300 . 1 . . . . 101 ARG CA . 10074 1 1122 . 1 1 101 101 ARG CB C 13 29.058 0.300 . 1 . . . . 101 ARG CB . 10074 1 1123 . 1 1 101 101 ARG CG C 13 26.039 0.300 . 1 . . . . 101 ARG CG . 10074 1 1124 . 1 1 101 101 ARG CD C 13 43.266 0.300 . 1 . . . . 101 ARG CD . 10074 1 1125 . 1 1 101 101 ARG N N 15 116.396 0.300 . 1 . . . . 101 ARG N . 10074 1 1126 . 1 1 102 102 PHE H H 1 8.314 0.030 . 1 . . . . 102 PHE H . 10074 1 1127 . 1 1 102 102 PHE HA H 1 4.748 0.030 . 1 . . . . 102 PHE HA . 10074 1 1128 . 1 1 102 102 PHE HB2 H 1 3.478 0.030 . 2 . . . . 102 PHE HB2 . 10074 1 1129 . 1 1 102 102 PHE HB3 H 1 2.955 0.030 . 2 . . . . 102 PHE HB3 . 10074 1 1130 . 1 1 102 102 PHE HD1 H 1 7.250 0.030 . 1 . . . . 102 PHE HD1 . 10074 1 1131 . 1 1 102 102 PHE HD2 H 1 7.250 0.030 . 1 . . . . 102 PHE HD2 . 10074 1 1132 . 1 1 102 102 PHE HE1 H 1 7.344 0.030 . 1 . . . . 102 PHE HE1 . 10074 1 1133 . 1 1 102 102 PHE HE2 H 1 7.344 0.030 . 1 . . . . 102 PHE HE2 . 10074 1 1134 . 1 1 102 102 PHE HZ H 1 7.284 0.030 . 1 . . . . 102 PHE HZ . 10074 1 1135 . 1 1 102 102 PHE C C 13 175.363 0.300 . 1 . . . . 102 PHE C . 10074 1 1136 . 1 1 102 102 PHE CA C 13 57.115 0.300 . 1 . . . . 102 PHE CA . 10074 1 1137 . 1 1 102 102 PHE CB C 13 38.501 0.300 . 1 . . . . 102 PHE CB . 10074 1 1138 . 1 1 102 102 PHE CD1 C 13 131.803 0.300 . 1 . . . . 102 PHE CD1 . 10074 1 1139 . 1 1 102 102 PHE CD2 C 13 131.803 0.300 . 1 . . . . 102 PHE CD2 . 10074 1 1140 . 1 1 102 102 PHE CE1 C 13 131.407 0.300 . 1 . . . . 102 PHE CE1 . 10074 1 1141 . 1 1 102 102 PHE CE2 C 13 131.407 0.300 . 1 . . . . 102 PHE CE2 . 10074 1 1142 . 1 1 102 102 PHE CZ C 13 129.505 0.300 . 1 . . . . 102 PHE CZ . 10074 1 1143 . 1 1 102 102 PHE N N 15 120.709 0.300 . 1 . . . . 102 PHE N . 10074 1 1144 . 1 1 103 103 SER H H 1 8.242 0.030 . 1 . . . . 103 SER H . 10074 1 1145 . 1 1 103 103 SER HA H 1 4.046 0.030 . 1 . . . . 103 SER HA . 10074 1 1146 . 1 1 103 103 SER HB2 H 1 4.187 0.030 . 2 . . . . 103 SER HB2 . 10074 1 1147 . 1 1 103 103 SER HB3 H 1 4.162 0.030 . 2 . . . . 103 SER HB3 . 10074 1 1148 . 1 1 103 103 SER C C 13 173.452 0.300 . 1 . . . . 103 SER C . 10074 1 1149 . 1 1 103 103 SER CA C 13 59.626 0.300 . 1 . . . . 103 SER CA . 10074 1 1150 . 1 1 103 103 SER CB C 13 61.937 0.300 . 1 . . . . 103 SER CB . 10074 1 1151 . 1 1 103 103 SER N N 15 112.066 0.300 . 1 . . . . 103 SER N . 10074 1 1152 . 1 1 104 104 ARG H H 1 8.490 0.030 . 1 . . . . 104 ARG H . 10074 1 1153 . 1 1 104 104 ARG HA H 1 4.601 0.030 . 1 . . . . 104 ARG HA . 10074 1 1154 . 1 1 104 104 ARG HB2 H 1 2.015 0.030 . 2 . . . . 104 ARG HB2 . 10074 1 1155 . 1 1 104 104 ARG HB3 H 1 1.850 0.030 . 2 . . . . 104 ARG HB3 . 10074 1 1156 . 1 1 104 104 ARG HG2 H 1 1.732 0.030 . 2 . . . . 104 ARG HG2 . 10074 1 1157 . 1 1 104 104 ARG HG3 H 1 1.593 0.030 . 2 . . . . 104 ARG HG3 . 10074 1 1158 . 1 1 104 104 ARG HD2 H 1 3.274 0.030 . 2 . . . . 104 ARG HD2 . 10074 1 1159 . 1 1 104 104 ARG HD3 H 1 3.215 0.030 . 2 . . . . 104 ARG HD3 . 10074 1 1160 . 1 1 104 104 ARG C C 13 177.138 0.300 . 1 . . . . 104 ARG C . 10074 1 1161 . 1 1 104 104 ARG CA C 13 55.936 0.300 . 1 . . . . 104 ARG CA . 10074 1 1162 . 1 1 104 104 ARG CB C 13 30.052 0.300 . 1 . . . . 104 ARG CB . 10074 1 1163 . 1 1 104 104 ARG CG C 13 27.408 0.300 . 1 . . . . 104 ARG CG . 10074 1 1164 . 1 1 104 104 ARG CD C 13 43.501 0.300 . 1 . . . . 104 ARG CD . 10074 1 1165 . 1 1 104 104 ARG N N 15 120.323 0.300 . 1 . . . . 104 ARG N . 10074 1 1166 . 1 1 105 105 HIS H H 1 9.126 0.030 . 1 . . . . 105 HIS H . 10074 1 1167 . 1 1 105 105 HIS HA H 1 5.626 0.030 . 1 . . . . 105 HIS HA . 10074 1 1168 . 1 1 105 105 HIS HB2 H 1 3.142 0.030 . 2 . . . . 105 HIS HB2 . 10074 1 1169 . 1 1 105 105 HIS HB3 H 1 3.071 0.030 . 2 . . . . 105 HIS HB3 . 10074 1 1170 . 1 1 105 105 HIS HD2 H 1 7.168 0.030 . 1 . . . . 105 HIS HD2 . 10074 1 1171 . 1 1 105 105 HIS HE1 H 1 7.656 0.030 . 1 . . . . 105 HIS HE1 . 10074 1 1172 . 1 1 105 105 HIS C C 13 176.108 0.300 . 1 . . . . 105 HIS C . 10074 1 1173 . 1 1 105 105 HIS CA C 13 55.690 0.300 . 1 . . . . 105 HIS CA . 10074 1 1174 . 1 1 105 105 HIS CB C 13 32.994 0.300 . 1 . . . . 105 HIS CB . 10074 1 1175 . 1 1 105 105 HIS CD2 C 13 118.334 0.300 . 1 . . . . 105 HIS CD2 . 10074 1 1176 . 1 1 105 105 HIS CE1 C 13 137.379 0.300 . 1 . . . . 105 HIS CE1 . 10074 1 1177 . 1 1 105 105 HIS N N 15 126.482 0.300 . 1 . . . . 105 HIS N . 10074 1 1178 . 1 1 106 106 SER H H 1 8.845 0.030 . 1 . . . . 106 SER H . 10074 1 1179 . 1 1 106 106 SER HA H 1 4.798 0.030 . 1 . . . . 106 SER HA . 10074 1 1180 . 1 1 106 106 SER HB2 H 1 3.742 0.030 . 2 . . . . 106 SER HB2 . 10074 1 1181 . 1 1 106 106 SER HB3 H 1 3.706 0.030 . 2 . . . . 106 SER HB3 . 10074 1 1182 . 1 1 106 106 SER C C 13 173.135 0.300 . 1 . . . . 106 SER C . 10074 1 1183 . 1 1 106 106 SER CA C 13 57.312 0.300 . 1 . . . . 106 SER CA . 10074 1 1184 . 1 1 106 106 SER CB C 13 65.464 0.300 . 1 . . . . 106 SER CB . 10074 1 1185 . 1 1 106 106 SER N N 15 116.741 0.300 . 1 . . . . 106 SER N . 10074 1 1186 . 1 1 107 107 VAL H H 1 8.710 0.030 . 1 . . . . 107 VAL H . 10074 1 1187 . 1 1 107 107 VAL HA H 1 4.130 0.030 . 1 . . . . 107 VAL HA . 10074 1 1188 . 1 1 107 107 VAL HB H 1 2.046 0.030 . 1 . . . . 107 VAL HB . 10074 1 1189 . 1 1 107 107 VAL HG11 H 1 0.871 0.030 . 1 . . . . 107 VAL HG1 . 10074 1 1190 . 1 1 107 107 VAL HG12 H 1 0.871 0.030 . 1 . . . . 107 VAL HG1 . 10074 1 1191 . 1 1 107 107 VAL HG13 H 1 0.871 0.030 . 1 . . . . 107 VAL HG1 . 10074 1 1192 . 1 1 107 107 VAL HG21 H 1 0.921 0.030 . 1 . . . . 107 VAL HG2 . 10074 1 1193 . 1 1 107 107 VAL HG22 H 1 0.921 0.030 . 1 . . . . 107 VAL HG2 . 10074 1 1194 . 1 1 107 107 VAL HG23 H 1 0.921 0.030 . 1 . . . . 107 VAL HG2 . 10074 1 1195 . 1 1 107 107 VAL C C 13 175.595 0.300 . 1 . . . . 107 VAL C . 10074 1 1196 . 1 1 107 107 VAL CA C 13 63.203 0.300 . 1 . . . . 107 VAL CA . 10074 1 1197 . 1 1 107 107 VAL CB C 13 32.722 0.300 . 1 . . . . 107 VAL CB . 10074 1 1198 . 1 1 107 107 VAL CG1 C 13 21.548 0.300 . 2 . . . . 107 VAL CG1 . 10074 1 1199 . 1 1 107 107 VAL CG2 C 13 21.467 0.300 . 2 . . . . 107 VAL CG2 . 10074 1 1200 . 1 1 107 107 VAL N N 15 123.064 0.300 . 1 . . . . 107 VAL N . 10074 1 1201 . 1 1 108 108 ALA H H 1 9.340 0.030 . 1 . . . . 108 ALA H . 10074 1 1202 . 1 1 108 108 ALA HA H 1 4.516 0.030 . 1 . . . . 108 ALA HA . 10074 1 1203 . 1 1 108 108 ALA HB1 H 1 1.274 0.030 . 1 . . . . 108 ALA HB . 10074 1 1204 . 1 1 108 108 ALA HB2 H 1 1.274 0.030 . 1 . . . . 108 ALA HB . 10074 1 1205 . 1 1 108 108 ALA HB3 H 1 1.274 0.030 . 1 . . . . 108 ALA HB . 10074 1 1206 . 1 1 108 108 ALA C C 13 177.601 0.300 . 1 . . . . 108 ALA C . 10074 1 1207 . 1 1 108 108 ALA CA C 13 52.645 0.300 . 1 . . . . 108 ALA CA . 10074 1 1208 . 1 1 108 108 ALA CB C 13 19.386 0.300 . 1 . . . . 108 ALA CB . 10074 1 1209 . 1 1 108 108 ALA N N 15 131.593 0.300 . 1 . . . . 108 ALA N . 10074 1 1210 . 1 1 109 109 GLY H H 1 7.308 0.030 . 1 . . . . 109 GLY H . 10074 1 1211 . 1 1 109 109 GLY HA2 H 1 4.176 0.030 . 2 . . . . 109 GLY HA2 . 10074 1 1212 . 1 1 109 109 GLY HA3 H 1 3.877 0.030 . 2 . . . . 109 GLY HA3 . 10074 1 1213 . 1 1 109 109 GLY C C 13 170.700 0.300 . 1 . . . . 109 GLY C . 10074 1 1214 . 1 1 109 109 GLY CA C 13 46.004 0.300 . 1 . . . . 109 GLY CA . 10074 1 1215 . 1 1 109 109 GLY N N 15 102.859 0.300 . 1 . . . . 109 GLY N . 10074 1 1216 . 1 1 110 110 GLU H H 1 8.899 0.030 . 1 . . . . 110 GLU H . 10074 1 1217 . 1 1 110 110 GLU HA H 1 5.474 0.030 . 1 . . . . 110 GLU HA . 10074 1 1218 . 1 1 110 110 GLU HB2 H 1 1.858 0.030 . 2 . . . . 110 GLU HB2 . 10074 1 1219 . 1 1 110 110 GLU HB3 H 1 1.830 0.030 . 2 . . . . 110 GLU HB3 . 10074 1 1220 . 1 1 110 110 GLU HG2 H 1 2.085 0.030 . 2 . . . . 110 GLU HG2 . 10074 1 1221 . 1 1 110 110 GLU HG3 H 1 1.959 0.030 . 2 . . . . 110 GLU HG3 . 10074 1 1222 . 1 1 110 110 GLU C C 13 174.327 0.300 . 1 . . . . 110 GLU C . 10074 1 1223 . 1 1 110 110 GLU CA C 13 54.876 0.300 . 1 . . . . 110 GLU CA . 10074 1 1224 . 1 1 110 110 GLU CB C 13 35.454 0.300 . 1 . . . . 110 GLU CB . 10074 1 1225 . 1 1 110 110 GLU CG C 13 36.252 0.300 . 1 . . . . 110 GLU CG . 10074 1 1226 . 1 1 110 110 GLU N N 15 120.153 0.300 . 1 . . . . 110 GLU N . 10074 1 1227 . 1 1 111 111 LEU H H 1 9.124 0.030 . 1 . . . . 111 LEU H . 10074 1 1228 . 1 1 111 111 LEU HA H 1 4.770 0.030 . 1 . . . . 111 LEU HA . 10074 1 1229 . 1 1 111 111 LEU HB2 H 1 1.608 0.030 . 2 . . . . 111 LEU HB2 . 10074 1 1230 . 1 1 111 111 LEU HB3 H 1 1.427 0.030 . 2 . . . . 111 LEU HB3 . 10074 1 1231 . 1 1 111 111 LEU HG H 1 1.374 0.030 . 1 . . . . 111 LEU HG . 10074 1 1232 . 1 1 111 111 LEU HD11 H 1 0.777 0.030 . 1 . . . . 111 LEU HD1 . 10074 1 1233 . 1 1 111 111 LEU HD12 H 1 0.777 0.030 . 1 . . . . 111 LEU HD1 . 10074 1 1234 . 1 1 111 111 LEU HD13 H 1 0.777 0.030 . 1 . . . . 111 LEU HD1 . 10074 1 1235 . 1 1 111 111 LEU HD21 H 1 0.914 0.030 . 1 . . . . 111 LEU HD2 . 10074 1 1236 . 1 1 111 111 LEU HD22 H 1 0.914 0.030 . 1 . . . . 111 LEU HD2 . 10074 1 1237 . 1 1 111 111 LEU HD23 H 1 0.914 0.030 . 1 . . . . 111 LEU HD2 . 10074 1 1238 . 1 1 111 111 LEU C C 13 173.996 0.300 . 1 . . . . 111 LEU C . 10074 1 1239 . 1 1 111 111 LEU CA C 13 54.588 0.300 . 1 . . . . 111 LEU CA . 10074 1 1240 . 1 1 111 111 LEU CB C 13 46.028 0.300 . 1 . . . . 111 LEU CB . 10074 1 1241 . 1 1 111 111 LEU CG C 13 27.112 0.300 . 1 . . . . 111 LEU CG . 10074 1 1242 . 1 1 111 111 LEU CD1 C 13 26.889 0.300 . 2 . . . . 111 LEU CD1 . 10074 1 1243 . 1 1 111 111 LEU CD2 C 13 24.503 0.300 . 2 . . . . 111 LEU CD2 . 10074 1 1244 . 1 1 111 111 LEU N N 15 124.874 0.300 . 1 . . . . 111 LEU N . 10074 1 1245 . 1 1 112 112 ARG H H 1 8.527 0.030 . 1 . . . . 112 ARG H . 10074 1 1246 . 1 1 112 112 ARG HA H 1 5.164 0.030 . 1 . . . . 112 ARG HA . 10074 1 1247 . 1 1 112 112 ARG HB2 H 1 1.650 0.030 . 2 . . . . 112 ARG HB2 . 10074 1 1248 . 1 1 112 112 ARG HB3 H 1 1.583 0.030 . 2 . . . . 112 ARG HB3 . 10074 1 1249 . 1 1 112 112 ARG HG2 H 1 1.538 0.030 . 2 . . . . 112 ARG HG2 . 10074 1 1250 . 1 1 112 112 ARG HG3 H 1 1.489 0.030 . 2 . . . . 112 ARG HG3 . 10074 1 1251 . 1 1 112 112 ARG HD2 H 1 3.107 0.030 . 1 . . . . 112 ARG HD2 . 10074 1 1252 . 1 1 112 112 ARG HD3 H 1 3.107 0.030 . 1 . . . . 112 ARG HD3 . 10074 1 1253 . 1 1 112 112 ARG C C 13 175.334 0.300 . 1 . . . . 112 ARG C . 10074 1 1254 . 1 1 112 112 ARG CA C 13 55.236 0.300 . 1 . . . . 112 ARG CA . 10074 1 1255 . 1 1 112 112 ARG CB C 13 32.173 0.300 . 1 . . . . 112 ARG CB . 10074 1 1256 . 1 1 112 112 ARG CG C 13 27.795 0.300 . 1 . . . . 112 ARG CG . 10074 1 1257 . 1 1 112 112 ARG CD C 13 43.593 0.300 . 1 . . . . 112 ARG CD . 10074 1 1258 . 1 1 112 112 ARG N N 15 125.060 0.300 . 1 . . . . 112 ARG N . 10074 1 1259 . 1 1 113 113 LEU H H 1 9.408 0.030 . 1 . . . . 113 LEU H . 10074 1 1260 . 1 1 113 113 LEU HA H 1 4.694 0.030 . 1 . . . . 113 LEU HA . 10074 1 1261 . 1 1 113 113 LEU HB2 H 1 1.597 0.030 . 2 . . . . 113 LEU HB2 . 10074 1 1262 . 1 1 113 113 LEU HB3 H 1 1.439 0.030 . 2 . . . . 113 LEU HB3 . 10074 1 1263 . 1 1 113 113 LEU HG H 1 1.289 0.030 . 1 . . . . 113 LEU HG . 10074 1 1264 . 1 1 113 113 LEU HD11 H 1 0.362 0.030 . 1 . . . . 113 LEU HD1 . 10074 1 1265 . 1 1 113 113 LEU HD12 H 1 0.362 0.030 . 1 . . . . 113 LEU HD1 . 10074 1 1266 . 1 1 113 113 LEU HD13 H 1 0.362 0.030 . 1 . . . . 113 LEU HD1 . 10074 1 1267 . 1 1 113 113 LEU HD21 H 1 0.788 0.030 . 1 . . . . 113 LEU HD2 . 10074 1 1268 . 1 1 113 113 LEU HD22 H 1 0.788 0.030 . 1 . . . . 113 LEU HD2 . 10074 1 1269 . 1 1 113 113 LEU HD23 H 1 0.788 0.030 . 1 . . . . 113 LEU HD2 . 10074 1 1270 . 1 1 113 113 LEU C C 13 175.692 0.300 . 1 . . . . 113 LEU C . 10074 1 1271 . 1 1 113 113 LEU CA C 13 53.797 0.300 . 1 . . . . 113 LEU CA . 10074 1 1272 . 1 1 113 113 LEU CB C 13 45.060 0.300 . 1 . . . . 113 LEU CB . 10074 1 1273 . 1 1 113 113 LEU CG C 13 26.407 0.300 . 1 . . . . 113 LEU CG . 10074 1 1274 . 1 1 113 113 LEU CD1 C 13 26.490 0.300 . 2 . . . . 113 LEU CD1 . 10074 1 1275 . 1 1 113 113 LEU CD2 C 13 23.875 0.300 . 2 . . . . 113 LEU CD2 . 10074 1 1276 . 1 1 113 113 LEU N N 15 125.580 0.300 . 1 . . . . 113 LEU N . 10074 1 1277 . 1 1 114 114 GLY H H 1 8.497 0.030 . 1 . . . . 114 GLY H . 10074 1 1278 . 1 1 114 114 GLY HA2 H 1 4.380 0.030 . 2 . . . . 114 GLY HA2 . 10074 1 1279 . 1 1 114 114 GLY HA3 H 1 3.810 0.030 . 2 . . . . 114 GLY HA3 . 10074 1 1280 . 1 1 114 114 GLY C C 13 174.390 0.300 . 1 . . . . 114 GLY C . 10074 1 1281 . 1 1 114 114 GLY CA C 13 44.666 0.300 . 1 . . . . 114 GLY CA . 10074 1 1282 . 1 1 114 114 GLY N N 15 109.764 0.300 . 1 . . . . 114 GLY N . 10074 1 1283 . 1 1 115 115 LEU H H 1 7.943 0.030 . 1 . . . . 115 LEU H . 10074 1 1284 . 1 1 115 115 LEU HA H 1 4.552 0.030 . 1 . . . . 115 LEU HA . 10074 1 1285 . 1 1 115 115 LEU HB2 H 1 1.679 0.030 . 2 . . . . 115 LEU HB2 . 10074 1 1286 . 1 1 115 115 LEU HB3 H 1 1.663 0.030 . 2 . . . . 115 LEU HB3 . 10074 1 1287 . 1 1 115 115 LEU HG H 1 1.433 0.030 . 1 . . . . 115 LEU HG . 10074 1 1288 . 1 1 115 115 LEU HD11 H 1 0.664 0.030 . 1 . . . . 115 LEU HD1 . 10074 1 1289 . 1 1 115 115 LEU HD12 H 1 0.664 0.030 . 1 . . . . 115 LEU HD1 . 10074 1 1290 . 1 1 115 115 LEU HD13 H 1 0.664 0.030 . 1 . . . . 115 LEU HD1 . 10074 1 1291 . 1 1 115 115 LEU HD21 H 1 0.668 0.030 . 1 . . . . 115 LEU HD2 . 10074 1 1292 . 1 1 115 115 LEU HD22 H 1 0.668 0.030 . 1 . . . . 115 LEU HD2 . 10074 1 1293 . 1 1 115 115 LEU HD23 H 1 0.668 0.030 . 1 . . . . 115 LEU HD2 . 10074 1 1294 . 1 1 115 115 LEU C C 13 174.637 0.300 . 1 . . . . 115 LEU C . 10074 1 1295 . 1 1 115 115 LEU CA C 13 54.191 0.300 . 1 . . . . 115 LEU CA . 10074 1 1296 . 1 1 115 115 LEU CB C 13 41.641 0.300 . 1 . . . . 115 LEU CB . 10074 1 1297 . 1 1 115 115 LEU CG C 13 26.836 0.300 . 1 . . . . 115 LEU CG . 10074 1 1298 . 1 1 115 115 LEU CD1 C 13 26.976 0.300 . 2 . . . . 115 LEU CD1 . 10074 1 1299 . 1 1 115 115 LEU CD2 C 13 23.651 0.300 . 2 . . . . 115 LEU CD2 . 10074 1 1300 . 1 1 115 115 LEU N N 15 119.558 0.300 . 1 . . . . 115 LEU N . 10074 1 1301 . 1 1 116 116 ASP H H 1 7.638 0.030 . 1 . . . . 116 ASP H . 10074 1 1302 . 1 1 116 116 ASP HA H 1 4.247 0.030 . 1 . . . . 116 ASP HA . 10074 1 1303 . 1 1 116 116 ASP HB2 H 1 2.955 0.030 . 2 . . . . 116 ASP HB2 . 10074 1 1304 . 1 1 116 116 ASP HB3 H 1 2.702 0.030 . 2 . . . . 116 ASP HB3 . 10074 1 1305 . 1 1 116 116 ASP C C 13 177.235 0.300 . 1 . . . . 116 ASP C . 10074 1 1306 . 1 1 116 116 ASP CA C 13 54.280 0.300 . 1 . . . . 116 ASP CA . 10074 1 1307 . 1 1 116 116 ASP CB C 13 41.396 0.300 . 1 . . . . 116 ASP CB . 10074 1 1308 . 1 1 116 116 ASP N N 15 114.442 0.300 . 1 . . . . 116 ASP N . 10074 1 1309 . 1 1 117 117 GLY H H 1 9.096 0.030 . 1 . . . . 117 GLY H . 10074 1 1310 . 1 1 117 117 GLY HA2 H 1 4.311 0.030 . 2 . . . . 117 GLY HA2 . 10074 1 1311 . 1 1 117 117 GLY HA3 H 1 3.724 0.030 . 2 . . . . 117 GLY HA3 . 10074 1 1312 . 1 1 117 117 GLY C C 13 174.776 0.300 . 1 . . . . 117 GLY C . 10074 1 1313 . 1 1 117 117 GLY CA C 13 45.410 0.300 . 1 . . . . 117 GLY CA . 10074 1 1314 . 1 1 117 117 GLY N N 15 109.990 0.300 . 1 . . . . 117 GLY N . 10074 1 1315 . 1 1 118 118 THR H H 1 8.334 0.030 . 1 . . . . 118 THR H . 10074 1 1316 . 1 1 118 118 THR HA H 1 4.229 0.030 . 1 . . . . 118 THR HA . 10074 1 1317 . 1 1 118 118 THR HB H 1 4.162 0.030 . 1 . . . . 118 THR HB . 10074 1 1318 . 1 1 118 118 THR HG21 H 1 1.168 0.030 . 1 . . . . 118 THR HG2 . 10074 1 1319 . 1 1 118 118 THR HG22 H 1 1.168 0.030 . 1 . . . . 118 THR HG2 . 10074 1 1320 . 1 1 118 118 THR HG23 H 1 1.168 0.030 . 1 . . . . 118 THR HG2 . 10074 1 1321 . 1 1 118 118 THR C C 13 175.479 0.300 . 1 . . . . 118 THR C . 10074 1 1322 . 1 1 118 118 THR CA C 13 63.927 0.300 . 1 . . . . 118 THR CA . 10074 1 1323 . 1 1 118 118 THR CB C 13 69.479 0.300 . 1 . . . . 118 THR CB . 10074 1 1324 . 1 1 118 118 THR CG2 C 13 21.600 0.300 . 1 . . . . 118 THR CG2 . 10074 1 1325 . 1 1 118 118 THR N N 15 114.409 0.300 . 1 . . . . 118 THR N . 10074 1 1326 . 1 1 119 119 SER H H 1 8.877 0.030 . 1 . . . . 119 SER H . 10074 1 1327 . 1 1 119 119 SER HA H 1 4.323 0.030 . 1 . . . . 119 SER HA . 10074 1 1328 . 1 1 119 119 SER HB2 H 1 4.008 0.030 . 2 . . . . 119 SER HB2 . 10074 1 1329 . 1 1 119 119 SER HB3 H 1 3.914 0.030 . 2 . . . . 119 SER HB3 . 10074 1 1330 . 1 1 119 119 SER C C 13 174.750 0.300 . 1 . . . . 119 SER C . 10074 1 1331 . 1 1 119 119 SER CA C 13 60.794 0.300 . 1 . . . . 119 SER CA . 10074 1 1332 . 1 1 119 119 SER CB C 13 62.895 0.300 . 1 . . . . 119 SER CB . 10074 1 1333 . 1 1 119 119 SER N N 15 119.343 0.300 . 1 . . . . 119 SER N . 10074 1 1334 . 1 1 120 120 VAL H H 1 7.460 0.030 . 1 . . . . 120 VAL H . 10074 1 1335 . 1 1 120 120 VAL HA H 1 4.488 0.030 . 1 . . . . 120 VAL HA . 10074 1 1336 . 1 1 120 120 VAL HB H 1 2.080 0.030 . 1 . . . . 120 VAL HB . 10074 1 1337 . 1 1 120 120 VAL HG11 H 1 1.050 0.030 . 1 . . . . 120 VAL HG1 . 10074 1 1338 . 1 1 120 120 VAL HG12 H 1 1.050 0.030 . 1 . . . . 120 VAL HG1 . 10074 1 1339 . 1 1 120 120 VAL HG13 H 1 1.050 0.030 . 1 . . . . 120 VAL HG1 . 10074 1 1340 . 1 1 120 120 VAL HG21 H 1 1.050 0.030 . 1 . . . . 120 VAL HG2 . 10074 1 1341 . 1 1 120 120 VAL HG22 H 1 1.050 0.030 . 1 . . . . 120 VAL HG2 . 10074 1 1342 . 1 1 120 120 VAL HG23 H 1 1.050 0.030 . 1 . . . . 120 VAL HG2 . 10074 1 1343 . 1 1 120 120 VAL C C 13 172.790 0.300 . 1 . . . . 120 VAL C . 10074 1 1344 . 1 1 120 120 VAL CA C 13 59.284 0.300 . 1 . . . . 120 VAL CA . 10074 1 1345 . 1 1 120 120 VAL CB C 13 34.334 0.300 . 1 . . . . 120 VAL CB . 10074 1 1346 . 1 1 120 120 VAL CG1 C 13 21.413 0.300 . 2 . . . . 120 VAL CG1 . 10074 1 1347 . 1 1 120 120 VAL CG2 C 13 21.101 0.300 . 2 . . . . 120 VAL CG2 . 10074 1 1348 . 1 1 120 120 VAL N N 15 120.412 0.300 . 1 . . . . 120 VAL N . 10074 1 1349 . 1 1 121 121 PRO HA H 1 4.425 0.030 . 1 . . . . 121 PRO HA . 10074 1 1350 . 1 1 121 121 PRO HB2 H 1 2.273 0.030 . 2 . . . . 121 PRO HB2 . 10074 1 1351 . 1 1 121 121 PRO HB3 H 1 1.798 0.030 . 2 . . . . 121 PRO HB3 . 10074 1 1352 . 1 1 121 121 PRO HG2 H 1 2.041 0.030 . 2 . . . . 121 PRO HG2 . 10074 1 1353 . 1 1 121 121 PRO HG3 H 1 1.939 0.030 . 2 . . . . 121 PRO HG3 . 10074 1 1354 . 1 1 121 121 PRO HD2 H 1 3.697 0.030 . 2 . . . . 121 PRO HD2 . 10074 1 1355 . 1 1 121 121 PRO HD3 H 1 3.619 0.030 . 2 . . . . 121 PRO HD3 . 10074 1 1356 . 1 1 121 121 PRO C C 13 176.872 0.300 . 1 . . . . 121 PRO C . 10074 1 1357 . 1 1 121 121 PRO CA C 13 62.430 0.300 . 1 . . . . 121 PRO CA . 10074 1 1358 . 1 1 121 121 PRO CB C 13 31.865 0.300 . 1 . . . . 121 PRO CB . 10074 1 1359 . 1 1 121 121 PRO CG C 13 27.482 0.300 . 1 . . . . 121 PRO CG . 10074 1 1360 . 1 1 121 121 PRO CD C 13 50.915 0.300 . 1 . . . . 121 PRO CD . 10074 1 1361 . 1 1 122 122 LEU H H 1 8.584 0.030 . 1 . . . . 122 LEU H . 10074 1 1362 . 1 1 122 122 LEU HA H 1 4.408 0.030 . 1 . . . . 122 LEU HA . 10074 1 1363 . 1 1 122 122 LEU HB2 H 1 1.767 0.030 . 2 . . . . 122 LEU HB2 . 10074 1 1364 . 1 1 122 122 LEU HB3 H 1 1.678 0.030 . 2 . . . . 122 LEU HB3 . 10074 1 1365 . 1 1 122 122 LEU HG H 1 1.749 0.030 . 1 . . . . 122 LEU HG . 10074 1 1366 . 1 1 122 122 LEU HD11 H 1 0.968 0.030 . 1 . . . . 122 LEU HD1 . 10074 1 1367 . 1 1 122 122 LEU HD12 H 1 0.968 0.030 . 1 . . . . 122 LEU HD1 . 10074 1 1368 . 1 1 122 122 LEU HD13 H 1 0.968 0.030 . 1 . . . . 122 LEU HD1 . 10074 1 1369 . 1 1 122 122 LEU HD21 H 1 0.776 0.030 . 1 . . . . 122 LEU HD2 . 10074 1 1370 . 1 1 122 122 LEU HD22 H 1 0.776 0.030 . 1 . . . . 122 LEU HD2 . 10074 1 1371 . 1 1 122 122 LEU HD23 H 1 0.776 0.030 . 1 . . . . 122 LEU HD2 . 10074 1 1372 . 1 1 122 122 LEU C C 13 179.059 0.300 . 1 . . . . 122 LEU C . 10074 1 1373 . 1 1 122 122 LEU CA C 13 55.733 0.300 . 1 . . . . 122 LEU CA . 10074 1 1374 . 1 1 122 122 LEU CB C 13 41.066 0.300 . 1 . . . . 122 LEU CB . 10074 1 1375 . 1 1 122 122 LEU CG C 13 28.465 0.300 . 1 . . . . 122 LEU CG . 10074 1 1376 . 1 1 122 122 LEU CD1 C 13 25.387 0.300 . 2 . . . . 122 LEU CD1 . 10074 1 1377 . 1 1 122 122 LEU CD2 C 13 23.367 0.300 . 2 . . . . 122 LEU CD2 . 10074 1 1378 . 1 1 122 122 LEU N N 15 122.967 0.300 . 1 . . . . 122 LEU N . 10074 1 1379 . 1 1 123 123 GLY H H 1 9.531 0.030 . 1 . . . . 123 GLY H . 10074 1 1380 . 1 1 123 123 GLY HA2 H 1 4.082 0.030 . 2 . . . . 123 GLY HA2 . 10074 1 1381 . 1 1 123 123 GLY HA3 H 1 3.708 0.030 . 2 . . . . 123 GLY HA3 . 10074 1 1382 . 1 1 123 123 GLY C C 13 173.367 0.300 . 1 . . . . 123 GLY C . 10074 1 1383 . 1 1 123 123 GLY CA C 13 46.015 0.300 . 1 . . . . 123 GLY CA . 10074 1 1384 . 1 1 123 123 GLY N N 15 111.470 0.300 . 1 . . . . 123 GLY N . 10074 1 1385 . 1 1 124 124 ALA H H 1 7.299 0.030 . 1 . . . . 124 ALA H . 10074 1 1386 . 1 1 124 124 ALA HA H 1 4.628 0.030 . 1 . . . . 124 ALA HA . 10074 1 1387 . 1 1 124 124 ALA HB1 H 1 1.236 0.030 . 1 . . . . 124 ALA HB . 10074 1 1388 . 1 1 124 124 ALA HB2 H 1 1.236 0.030 . 1 . . . . 124 ALA HB . 10074 1 1389 . 1 1 124 124 ALA HB3 H 1 1.236 0.030 . 1 . . . . 124 ALA HB . 10074 1 1390 . 1 1 124 124 ALA C C 13 175.664 0.300 . 1 . . . . 124 ALA C . 10074 1 1391 . 1 1 124 124 ALA CA C 13 50.474 0.300 . 1 . . . . 124 ALA CA . 10074 1 1392 . 1 1 124 124 ALA CB C 13 20.722 0.300 . 1 . . . . 124 ALA CB . 10074 1 1393 . 1 1 124 124 ALA N N 15 122.340 0.300 . 1 . . . . 124 ALA N . 10074 1 1394 . 1 1 125 125 ALA H H 1 8.583 0.030 . 1 . . . . 125 ALA H . 10074 1 1395 . 1 1 125 125 ALA HA H 1 4.371 0.030 . 1 . . . . 125 ALA HA . 10074 1 1396 . 1 1 125 125 ALA HB1 H 1 1.139 0.030 . 1 . . . . 125 ALA HB . 10074 1 1397 . 1 1 125 125 ALA HB2 H 1 1.139 0.030 . 1 . . . . 125 ALA HB . 10074 1 1398 . 1 1 125 125 ALA HB3 H 1 1.139 0.030 . 1 . . . . 125 ALA HB . 10074 1 1399 . 1 1 125 125 ALA C C 13 176.781 0.300 . 1 . . . . 125 ALA C . 10074 1 1400 . 1 1 125 125 ALA CA C 13 51.314 0.300 . 1 . . . . 125 ALA CA . 10074 1 1401 . 1 1 125 125 ALA CB C 13 19.388 0.300 . 1 . . . . 125 ALA CB . 10074 1 1402 . 1 1 125 125 ALA N N 15 128.371 0.300 . 1 . . . . 125 ALA N . 10074 1 1403 . 1 1 126 126 GLN H H 1 7.945 0.030 . 1 . . . . 126 GLN H . 10074 1 1404 . 1 1 126 126 GLN HA H 1 4.458 0.030 . 1 . . . . 126 GLN HA . 10074 1 1405 . 1 1 126 126 GLN HB2 H 1 1.940 0.030 . 2 . . . . 126 GLN HB2 . 10074 1 1406 . 1 1 126 126 GLN HB3 H 1 1.365 0.030 . 2 . . . . 126 GLN HB3 . 10074 1 1407 . 1 1 126 126 GLN HG2 H 1 1.977 0.030 . 1 . . . . 126 GLN HG2 . 10074 1 1408 . 1 1 126 126 GLN HG3 H 1 1.977 0.030 . 1 . . . . 126 GLN HG3 . 10074 1 1409 . 1 1 126 126 GLN HE21 H 1 6.892 0.030 . 2 . . . . 126 GLN HE21 . 10074 1 1410 . 1 1 126 126 GLN HE22 H 1 6.834 0.030 . 2 . . . . 126 GLN HE22 . 10074 1 1411 . 1 1 126 126 GLN C C 13 172.426 0.300 . 1 . . . . 126 GLN C . 10074 1 1412 . 1 1 126 126 GLN CA C 13 54.046 0.300 . 1 . . . . 126 GLN CA . 10074 1 1413 . 1 1 126 126 GLN CB C 13 32.829 0.300 . 1 . . . . 126 GLN CB . 10074 1 1414 . 1 1 126 126 GLN CG C 13 32.649 0.300 . 1 . . . . 126 GLN CG . 10074 1 1415 . 1 1 126 126 GLN N N 15 119.450 0.300 . 1 . . . . 126 GLN N . 10074 1 1416 . 1 1 126 126 GLN NE2 N 15 111.957 0.300 . 1 . . . . 126 GLN NE2 . 10074 1 1417 . 1 1 127 127 TRP H H 1 8.206 0.030 . 1 . . . . 127 TRP H . 10074 1 1418 . 1 1 127 127 TRP HA H 1 5.290 0.030 . 1 . . . . 127 TRP HA . 10074 1 1419 . 1 1 127 127 TRP HB2 H 1 3.104 0.030 . 2 . . . . 127 TRP HB2 . 10074 1 1420 . 1 1 127 127 TRP HB3 H 1 3.048 0.030 . 2 . . . . 127 TRP HB3 . 10074 1 1421 . 1 1 127 127 TRP HD1 H 1 7.403 0.030 . 1 . . . . 127 TRP HD1 . 10074 1 1422 . 1 1 127 127 TRP HE1 H 1 10.367 0.030 . 1 . . . . 127 TRP HE1 . 10074 1 1423 . 1 1 127 127 TRP HE3 H 1 7.420 0.030 . 1 . . . . 127 TRP HE3 . 10074 1 1424 . 1 1 127 127 TRP HZ2 H 1 7.341 0.030 . 1 . . . . 127 TRP HZ2 . 10074 1 1425 . 1 1 127 127 TRP HZ3 H 1 6.911 0.030 . 1 . . . . 127 TRP HZ3 . 10074 1 1426 . 1 1 127 127 TRP HH2 H 1 6.862 0.030 . 1 . . . . 127 TRP HH2 . 10074 1 1427 . 1 1 127 127 TRP C C 13 177.932 0.300 . 1 . . . . 127 TRP C . 10074 1 1428 . 1 1 127 127 TRP CA C 13 56.354 0.300 . 1 . . . . 127 TRP CA . 10074 1 1429 . 1 1 127 127 TRP CB C 13 31.811 0.300 . 1 . . . . 127 TRP CB . 10074 1 1430 . 1 1 127 127 TRP CD1 C 13 127.661 0.300 . 1 . . . . 127 TRP CD1 . 10074 1 1431 . 1 1 127 127 TRP CE3 C 13 120.652 0.300 . 1 . . . . 127 TRP CE3 . 10074 1 1432 . 1 1 127 127 TRP CZ2 C 13 115.340 0.300 . 1 . . . . 127 TRP CZ2 . 10074 1 1433 . 1 1 127 127 TRP CZ3 C 13 122.174 0.300 . 1 . . . . 127 TRP CZ3 . 10074 1 1434 . 1 1 127 127 TRP CH2 C 13 124.703 0.300 . 1 . . . . 127 TRP CH2 . 10074 1 1435 . 1 1 127 127 TRP N N 15 116.204 0.300 . 1 . . . . 127 TRP N . 10074 1 1436 . 1 1 127 127 TRP NE1 N 15 130.459 0.300 . 1 . . . . 127 TRP NE1 . 10074 1 1437 . 1 1 128 128 GLY H H 1 9.916 0.030 . 1 . . . . 128 GLY H . 10074 1 1438 . 1 1 128 128 GLY HA2 H 1 4.843 0.030 . 2 . . . . 128 GLY HA2 . 10074 1 1439 . 1 1 128 128 GLY HA3 H 1 3.847 0.030 . 2 . . . . 128 GLY HA3 . 10074 1 1440 . 1 1 128 128 GLY C C 13 172.044 0.300 . 1 . . . . 128 GLY C . 10074 1 1441 . 1 1 128 128 GLY CA C 13 44.823 0.300 . 1 . . . . 128 GLY CA . 10074 1 1442 . 1 1 128 128 GLY N N 15 110.335 0.300 . 1 . . . . 128 GLY N . 10074 1 1443 . 1 1 129 129 GLU H H 1 8.761 0.030 . 1 . . . . 129 GLU H . 10074 1 1444 . 1 1 129 129 GLU HA H 1 4.551 0.030 . 1 . . . . 129 GLU HA . 10074 1 1445 . 1 1 129 129 GLU HB2 H 1 2.023 0.030 . 1 . . . . 129 GLU HB2 . 10074 1 1446 . 1 1 129 129 GLU HB3 H 1 2.023 0.030 . 1 . . . . 129 GLU HB3 . 10074 1 1447 . 1 1 129 129 GLU HG2 H 1 2.342 0.030 . 2 . . . . 129 GLU HG2 . 10074 1 1448 . 1 1 129 129 GLU HG3 H 1 2.182 0.030 . 2 . . . . 129 GLU HG3 . 10074 1 1449 . 1 1 129 129 GLU C C 13 175.782 0.300 . 1 . . . . 129 GLU C . 10074 1 1450 . 1 1 129 129 GLU CA C 13 56.517 0.300 . 1 . . . . 129 GLU CA . 10074 1 1451 . 1 1 129 129 GLU CB C 13 30.899 0.300 . 1 . . . . 129 GLU CB . 10074 1 1452 . 1 1 129 129 GLU CG C 13 37.171 0.300 . 1 . . . . 129 GLU CG . 10074 1 1453 . 1 1 129 129 GLU N N 15 123.606 0.300 . 1 . . . . 129 GLU N . 10074 1 1454 . 1 1 130 130 LEU H H 1 8.247 0.030 . 1 . . . . 130 LEU H . 10074 1 1455 . 1 1 130 130 LEU HA H 1 4.284 0.030 . 1 . . . . 130 LEU HA . 10074 1 1456 . 1 1 130 130 LEU HB2 H 1 1.666 0.030 . 2 . . . . 130 LEU HB2 . 10074 1 1457 . 1 1 130 130 LEU HB3 H 1 1.092 0.030 . 2 . . . . 130 LEU HB3 . 10074 1 1458 . 1 1 130 130 LEU HG H 1 1.562 0.030 . 1 . . . . 130 LEU HG . 10074 1 1459 . 1 1 130 130 LEU HD11 H 1 0.737 0.030 . 1 . . . . 130 LEU HD1 . 10074 1 1460 . 1 1 130 130 LEU HD12 H 1 0.737 0.030 . 1 . . . . 130 LEU HD1 . 10074 1 1461 . 1 1 130 130 LEU HD13 H 1 0.737 0.030 . 1 . . . . 130 LEU HD1 . 10074 1 1462 . 1 1 130 130 LEU HD21 H 1 0.672 0.030 . 1 . . . . 130 LEU HD2 . 10074 1 1463 . 1 1 130 130 LEU HD22 H 1 0.672 0.030 . 1 . . . . 130 LEU HD2 . 10074 1 1464 . 1 1 130 130 LEU HD23 H 1 0.672 0.030 . 1 . . . . 130 LEU HD2 . 10074 1 1465 . 1 1 130 130 LEU C C 13 176.076 0.300 . 1 . . . . 130 LEU C . 10074 1 1466 . 1 1 130 130 LEU CA C 13 54.284 0.300 . 1 . . . . 130 LEU CA . 10074 1 1467 . 1 1 130 130 LEU CB C 13 42.547 0.300 . 1 . . . . 130 LEU CB . 10074 1 1468 . 1 1 130 130 LEU CG C 13 26.556 0.300 . 1 . . . . 130 LEU CG . 10074 1 1469 . 1 1 130 130 LEU CD1 C 13 27.035 0.300 . 2 . . . . 130 LEU CD1 . 10074 1 1470 . 1 1 130 130 LEU CD2 C 13 23.630 0.300 . 2 . . . . 130 LEU CD2 . 10074 1 1471 . 1 1 130 130 LEU N N 15 124.206 0.300 . 1 . . . . 130 LEU N . 10074 1 1472 . 1 1 131 131 LYS H H 1 8.905 0.030 . 1 . . . . 131 LYS H . 10074 1 1473 . 1 1 131 131 LYS HA H 1 4.686 0.030 . 1 . . . . 131 LYS HA . 10074 1 1474 . 1 1 131 131 LYS HB2 H 1 1.963 0.030 . 1 . . . . 131 LYS HB2 . 10074 1 1475 . 1 1 131 131 LYS HB3 H 1 1.963 0.030 . 1 . . . . 131 LYS HB3 . 10074 1 1476 . 1 1 131 131 LYS HG2 H 1 1.622 0.030 . 2 . . . . 131 LYS HG2 . 10074 1 1477 . 1 1 131 131 LYS HG3 H 1 1.559 0.030 . 2 . . . . 131 LYS HG3 . 10074 1 1478 . 1 1 131 131 LYS HD2 H 1 1.765 0.030 . 1 . . . . 131 LYS HD2 . 10074 1 1479 . 1 1 131 131 LYS HD3 H 1 1.765 0.030 . 1 . . . . 131 LYS HD3 . 10074 1 1480 . 1 1 131 131 LYS HE2 H 1 3.059 0.030 . 1 . . . . 131 LYS HE2 . 10074 1 1481 . 1 1 131 131 LYS HE3 H 1 3.059 0.030 . 1 . . . . 131 LYS HE3 . 10074 1 1482 . 1 1 131 131 LYS C C 13 177.507 0.300 . 1 . . . . 131 LYS C . 10074 1 1483 . 1 1 131 131 LYS CA C 13 55.400 0.300 . 1 . . . . 131 LYS CA . 10074 1 1484 . 1 1 131 131 LYS CB C 13 33.871 0.300 . 1 . . . . 131 LYS CB . 10074 1 1485 . 1 1 131 131 LYS CG C 13 24.853 0.300 . 1 . . . . 131 LYS CG . 10074 1 1486 . 1 1 131 131 LYS CD C 13 28.933 0.300 . 1 . . . . 131 LYS CD . 10074 1 1487 . 1 1 131 131 LYS CE C 13 42.313 0.300 . 1 . . . . 131 LYS CE . 10074 1 1488 . 1 1 131 131 LYS N N 15 122.229 0.300 . 1 . . . . 131 LYS N . 10074 1 1489 . 1 1 132 132 THR H H 1 8.578 0.030 . 1 . . . . 132 THR H . 10074 1 1490 . 1 1 132 132 THR HA H 1 4.558 0.030 . 1 . . . . 132 THR HA . 10074 1 1491 . 1 1 132 132 THR HB H 1 4.353 0.030 . 1 . . . . 132 THR HB . 10074 1 1492 . 1 1 132 132 THR HG21 H 1 1.280 0.030 . 1 . . . . 132 THR HG2 . 10074 1 1493 . 1 1 132 132 THR HG22 H 1 1.280 0.030 . 1 . . . . 132 THR HG2 . 10074 1 1494 . 1 1 132 132 THR HG23 H 1 1.280 0.030 . 1 . . . . 132 THR HG2 . 10074 1 1495 . 1 1 132 132 THR C C 13 174.370 0.300 . 1 . . . . 132 THR C . 10074 1 1496 . 1 1 132 132 THR CA C 13 61.431 0.300 . 1 . . . . 132 THR CA . 10074 1 1497 . 1 1 132 132 THR CB C 13 70.202 0.300 . 1 . . . . 132 THR CB . 10074 1 1498 . 1 1 132 132 THR CG2 C 13 21.500 0.300 . 1 . . . . 132 THR CG2 . 10074 1 1499 . 1 1 132 132 THR N N 15 116.414 0.300 . 1 . . . . 132 THR N . 10074 1 1500 . 1 1 133 133 SER H H 1 8.396 0.030 . 1 . . . . 133 SER H . 10074 1 1501 . 1 1 133 133 SER HA H 1 4.516 0.030 . 1 . . . . 133 SER HA . 10074 1 1502 . 1 1 133 133 SER HB2 H 1 3.837 0.030 . 1 . . . . 133 SER HB2 . 10074 1 1503 . 1 1 133 133 SER HB3 H 1 3.837 0.030 . 1 . . . . 133 SER HB3 . 10074 1 1504 . 1 1 133 133 SER C C 13 174.613 0.300 . 1 . . . . 133 SER C . 10074 1 1505 . 1 1 133 133 SER CA C 13 58.214 0.300 . 1 . . . . 133 SER CA . 10074 1 1506 . 1 1 133 133 SER CB C 13 64.153 0.300 . 1 . . . . 133 SER CB . 10074 1 1507 . 1 1 133 133 SER N N 15 117.604 0.300 . 1 . . . . 133 SER N . 10074 1 1508 . 1 1 134 134 GLY H H 1 8.331 0.030 . 1 . . . . 134 GLY H . 10074 1 1509 . 1 1 134 134 GLY HA2 H 1 4.158 0.030 . 2 . . . . 134 GLY HA2 . 10074 1 1510 . 1 1 134 134 GLY HA3 H 1 4.103 0.030 . 2 . . . . 134 GLY HA3 . 10074 1 1511 . 1 1 134 134 GLY C C 13 171.836 0.300 . 1 . . . . 134 GLY C . 10074 1 1512 . 1 1 134 134 GLY CA C 13 44.687 0.300 . 1 . . . . 134 GLY CA . 10074 1 1513 . 1 1 134 134 GLY N N 15 111.005 0.300 . 1 . . . . 134 GLY N . 10074 1 1514 . 1 1 135 135 PRO HA H 1 4.477 0.030 . 1 . . . . 135 PRO HA . 10074 1 1515 . 1 1 135 135 PRO HB2 H 1 2.291 0.030 . 2 . . . . 135 PRO HB2 . 10074 1 1516 . 1 1 135 135 PRO HB3 H 1 1.973 0.030 . 2 . . . . 135 PRO HB3 . 10074 1 1517 . 1 1 135 135 PRO HG2 H 1 2.018 0.030 . 1 . . . . 135 PRO HG2 . 10074 1 1518 . 1 1 135 135 PRO HG3 H 1 2.018 0.030 . 1 . . . . 135 PRO HG3 . 10074 1 1519 . 1 1 135 135 PRO HD2 H 1 3.635 0.030 . 2 . . . . 135 PRO HD2 . 10074 1 1520 . 1 1 135 135 PRO HD3 H 1 3.614 0.030 . 2 . . . . 135 PRO HD3 . 10074 1 1521 . 1 1 135 135 PRO CA C 13 63.307 0.300 . 1 . . . . 135 PRO CA . 10074 1 1522 . 1 1 135 135 PRO CB C 13 32.215 0.300 . 1 . . . . 135 PRO CB . 10074 1 1523 . 1 1 135 135 PRO CG C 13 27.181 0.300 . 1 . . . . 135 PRO CG . 10074 1 1524 . 1 1 135 135 PRO CD C 13 49.832 0.300 . 1 . . . . 135 PRO CD . 10074 1 1525 . 1 1 137 137 SER HA H 1 4.508 0.030 . 1 . . . . 137 SER HA . 10074 1 1526 . 1 1 137 137 SER HB2 H 1 3.896 0.030 . 1 . . . . 137 SER HB2 . 10074 1 1527 . 1 1 137 137 SER HB3 H 1 3.896 0.030 . 1 . . . . 137 SER HB3 . 10074 1 1528 . 1 1 137 137 SER C C 13 173.926 0.300 . 1 . . . . 137 SER C . 10074 1 1529 . 1 1 137 137 SER CA C 13 58.427 0.300 . 1 . . . . 137 SER CA . 10074 1 1530 . 1 1 137 137 SER CB C 13 64.055 0.300 . 1 . . . . 137 SER CB . 10074 1 1531 . 1 1 138 138 GLY H H 1 8.041 0.030 . 1 . . . . 138 GLY H . 10074 1 1532 . 1 1 138 138 GLY HA2 H 1 3.799 0.030 . 2 . . . . 138 GLY HA2 . 10074 1 1533 . 1 1 138 138 GLY HA3 H 1 3.751 0.030 . 2 . . . . 138 GLY HA3 . 10074 1 1534 . 1 1 138 138 GLY C C 13 178.995 0.300 . 1 . . . . 138 GLY C . 10074 1 1535 . 1 1 138 138 GLY CA C 13 46.242 0.300 . 1 . . . . 138 GLY CA . 10074 1 1536 . 1 1 138 138 GLY N N 15 116.847 0.300 . 1 . . . . 138 GLY N . 10074 1 stop_ save_