data_10334 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10334 _Entry.Title ; Solution structure of the 19th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-14 _Entry.Accession_date 2009-04-14 _Entry.Last_release_date 2010-04-14 _Entry.Original_release_date 2010-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10334 2 S. Koshiba . . . 10334 3 M. Inoue . . . 10334 4 T. Kigawa . . . 10334 5 S. Yokoyama . . . 10334 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10334 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10334 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 10334 '15N chemical shifts' 98 10334 '1H chemical shifts' 683 10334 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 . . 2010-04-14 2009-04-14 original author . 10334 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DI8 'BMRB Entry Tracking System' 10334 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10334 _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 'Solution structure of the 19th filamin domain from human Filamin-B' _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. Tomizawa . . . 10334 1 2 S. Koshiba . . . 10334 1 3 M. Inoue . . . 10334 1 4 T. Kigawa . . . 10334 1 5 S. Yokoyama . . . 10334 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10334 _Assembly.ID 1 _Assembly.Name Filamin-B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10334 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 2DI8 . . . . . . 10334 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10334 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGIGDARRAKVYGRG LSEGRTFEMSDFIVDTRDAG YGGISLAVEGPSKVDIQTED LEDGTCKVSYFPTVPGVYIV STKFADEHVPGSPFTVKISG EGRVKSGPSSG ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DI8 . "Solution Structure Of The 19th Filamin Domain From Human Filamin-B" . . . . . 100.00 111 100.00 100.00 4.91e-70 . . . . 10334 1 2 no GB AAL68448 . "filamin B variant 1 [Mus musculus]" . . . . . 59.46 151 98.48 100.00 4.56e-37 . . . . 10334 1 3 no REF XP_006040268 . "PREDICTED: filamin-B-like, partial [Bubalus bubalis]" . . . . . 90.99 154 98.02 98.02 5.34e-62 . . . . 10334 1 4 no REF XP_006040269 . "PREDICTED: filamin-B-like, partial [Bubalus bubalis]" . . . . . 58.56 137 100.00 100.00 8.32e-37 . . . . 10334 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10334 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 . 10334 1 2 . SER . 10334 1 3 . SER . 10334 1 4 . GLY . 10334 1 5 . SER . 10334 1 6 . SER . 10334 1 7 . GLY . 10334 1 8 . ILE . 10334 1 9 . GLY . 10334 1 10 . ASP . 10334 1 11 . ALA . 10334 1 12 . ARG . 10334 1 13 . ARG . 10334 1 14 . ALA . 10334 1 15 . LYS . 10334 1 16 . VAL . 10334 1 17 . TYR . 10334 1 18 . GLY . 10334 1 19 . ARG . 10334 1 20 . GLY . 10334 1 21 . LEU . 10334 1 22 . SER . 10334 1 23 . GLU . 10334 1 24 . GLY . 10334 1 25 . ARG . 10334 1 26 . THR . 10334 1 27 . PHE . 10334 1 28 . GLU . 10334 1 29 . MET . 10334 1 30 . SER . 10334 1 31 . ASP . 10334 1 32 . PHE . 10334 1 33 . ILE . 10334 1 34 . VAL . 10334 1 35 . ASP . 10334 1 36 . THR . 10334 1 37 . ARG . 10334 1 38 . ASP . 10334 1 39 . ALA . 10334 1 40 . GLY . 10334 1 41 . TYR . 10334 1 42 . GLY . 10334 1 43 . GLY . 10334 1 44 . ILE . 10334 1 45 . SER . 10334 1 46 . LEU . 10334 1 47 . ALA . 10334 1 48 . VAL . 10334 1 49 . GLU . 10334 1 50 . GLY . 10334 1 51 . PRO . 10334 1 52 . SER . 10334 1 53 . LYS . 10334 1 54 . VAL . 10334 1 55 . ASP . 10334 1 56 . ILE . 10334 1 57 . GLN . 10334 1 58 . THR . 10334 1 59 . GLU . 10334 1 60 . ASP . 10334 1 61 . LEU . 10334 1 62 . GLU . 10334 1 63 . ASP . 10334 1 64 . GLY . 10334 1 65 . THR . 10334 1 66 . CYS . 10334 1 67 . LYS . 10334 1 68 . VAL . 10334 1 69 . SER . 10334 1 70 . TYR . 10334 1 71 . PHE . 10334 1 72 . PRO . 10334 1 73 . THR . 10334 1 74 . VAL . 10334 1 75 . PRO . 10334 1 76 . GLY . 10334 1 77 . VAL . 10334 1 78 . TYR . 10334 1 79 . ILE . 10334 1 80 . VAL . 10334 1 81 . SER . 10334 1 82 . THR . 10334 1 83 . LYS . 10334 1 84 . PHE . 10334 1 85 . ALA . 10334 1 86 . ASP . 10334 1 87 . GLU . 10334 1 88 . HIS . 10334 1 89 . VAL . 10334 1 90 . PRO . 10334 1 91 . GLY . 10334 1 92 . SER . 10334 1 93 . PRO . 10334 1 94 . PHE . 10334 1 95 . THR . 10334 1 96 . VAL . 10334 1 97 . LYS . 10334 1 98 . ILE . 10334 1 99 . SER . 10334 1 100 . GLY . 10334 1 101 . GLU . 10334 1 102 . GLY . 10334 1 103 . ARG . 10334 1 104 . VAL . 10334 1 105 . LYS . 10334 1 106 . SER . 10334 1 107 . GLY . 10334 1 108 . PRO . 10334 1 109 . SER . 10334 1 110 . SER . 10334 1 111 . GLY . 10334 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 10334 1 . SER 2 2 10334 1 . SER 3 3 10334 1 . GLY 4 4 10334 1 . SER 5 5 10334 1 . SER 6 6 10334 1 . GLY 7 7 10334 1 . ILE 8 8 10334 1 . GLY 9 9 10334 1 . ASP 10 10 10334 1 . ALA 11 11 10334 1 . ARG 12 12 10334 1 . ARG 13 13 10334 1 . ALA 14 14 10334 1 . LYS 15 15 10334 1 . VAL 16 16 10334 1 . TYR 17 17 10334 1 . GLY 18 18 10334 1 . ARG 19 19 10334 1 . GLY 20 20 10334 1 . LEU 21 21 10334 1 . SER 22 22 10334 1 . GLU 23 23 10334 1 . GLY 24 24 10334 1 . ARG 25 25 10334 1 . THR 26 26 10334 1 . PHE 27 27 10334 1 . GLU 28 28 10334 1 . MET 29 29 10334 1 . SER 30 30 10334 1 . ASP 31 31 10334 1 . PHE 32 32 10334 1 . ILE 33 33 10334 1 . VAL 34 34 10334 1 . ASP 35 35 10334 1 . THR 36 36 10334 1 . ARG 37 37 10334 1 . ASP 38 38 10334 1 . ALA 39 39 10334 1 . GLY 40 40 10334 1 . TYR 41 41 10334 1 . GLY 42 42 10334 1 . GLY 43 43 10334 1 . ILE 44 44 10334 1 . SER 45 45 10334 1 . LEU 46 46 10334 1 . ALA 47 47 10334 1 . VAL 48 48 10334 1 . GLU 49 49 10334 1 . GLY 50 50 10334 1 . PRO 51 51 10334 1 . SER 52 52 10334 1 . LYS 53 53 10334 1 . VAL 54 54 10334 1 . ASP 55 55 10334 1 . ILE 56 56 10334 1 . GLN 57 57 10334 1 . THR 58 58 10334 1 . GLU 59 59 10334 1 . ASP 60 60 10334 1 . LEU 61 61 10334 1 . GLU 62 62 10334 1 . ASP 63 63 10334 1 . GLY 64 64 10334 1 . THR 65 65 10334 1 . CYS 66 66 10334 1 . LYS 67 67 10334 1 . VAL 68 68 10334 1 . SER 69 69 10334 1 . TYR 70 70 10334 1 . PHE 71 71 10334 1 . PRO 72 72 10334 1 . THR 73 73 10334 1 . VAL 74 74 10334 1 . PRO 75 75 10334 1 . GLY 76 76 10334 1 . VAL 77 77 10334 1 . TYR 78 78 10334 1 . ILE 79 79 10334 1 . VAL 80 80 10334 1 . SER 81 81 10334 1 . THR 82 82 10334 1 . LYS 83 83 10334 1 . PHE 84 84 10334 1 . ALA 85 85 10334 1 . ASP 86 86 10334 1 . GLU 87 87 10334 1 . HIS 88 88 10334 1 . VAL 89 89 10334 1 . PRO 90 90 10334 1 . GLY 91 91 10334 1 . SER 92 92 10334 1 . PRO 93 93 10334 1 . PHE 94 94 10334 1 . THR 95 95 10334 1 . VAL 96 96 10334 1 . LYS 97 97 10334 1 . ILE 98 98 10334 1 . SER 99 99 10334 1 . GLY 100 100 10334 1 . GLU 101 101 10334 1 . GLY 102 102 10334 1 . ARG 103 103 10334 1 . VAL 104 104 10334 1 . LYS 105 105 10334 1 . SER 106 106 10334 1 . GLY 107 107 10334 1 . PRO 108 108 10334 1 . SER 109 109 10334 1 . SER 110 110 10334 1 . GLY 111 111 10334 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 10334 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10334 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 10334 _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 . . P050919-18 . . . . . . 10334 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10334 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.80 . . mM . . . . 10334 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10334 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10334 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10334 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10334 1 6 H2O . . . . . . solvent 90 . . % . . . . 10334 1 7 D2O . . . . . . solvent 10 . . % . . . . 10334 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 10334 _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 10334 1 pH 7.0 0.05 pH 10334 1 pressure 1 0.001 atm 10334 1 temperature 296 0.1 K 10334 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10334 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10334 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10334 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10334 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10334 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10334 _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.' . . 10334 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10334 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10334 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10334 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10334 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10334 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10334 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10334 5 'structure solution' 10334 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 10334 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10334 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10334 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10334 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10334 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10334 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10334 _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 . . . . . . . . . 10334 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10334 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10334 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 10334 _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 10334 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10334 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.865 0.300 . 1 . . . . 1 GLY HA2 . 10334 1 2 . 1 1 1 1 GLY HA3 H 1 3.865 0.300 . 1 . . . . 1 GLY HA3 . 10334 1 3 . 1 1 1 1 GLY CA C 13 43.727 0.300 . 1 . . . . 1 GLY CA . 10334 1 4 . 1 1 4 4 GLY HA2 H 1 4.009 0.300 . 1 . . . . 4 GLY HA2 . 10334 1 5 . 1 1 4 4 GLY HA3 H 1 4.009 0.300 . 1 . . . . 4 GLY HA3 . 10334 1 6 . 1 1 4 4 GLY CA C 13 45.425 0.300 . 1 . . . . 4 GLY CA . 10334 1 7 . 1 1 6 6 SER HA H 1 4.411 0.300 . 1 . . . . 6 SER HA . 10334 1 8 . 1 1 6 6 SER HB2 H 1 3.842 0.300 . 1 . . . . 6 SER HB2 . 10334 1 9 . 1 1 6 6 SER HB3 H 1 3.842 0.300 . 1 . . . . 6 SER HB3 . 10334 1 10 . 1 1 6 6 SER C C 13 174.683 0.300 . 1 . . . . 6 SER C . 10334 1 11 . 1 1 6 6 SER CA C 13 58.558 0.300 . 1 . . . . 6 SER CA . 10334 1 12 . 1 1 6 6 SER CB C 13 63.878 0.300 . 1 . . . . 6 SER CB . 10334 1 13 . 1 1 7 7 GLY H H 1 8.212 0.300 . 1 . . . . 7 GLY H . 10334 1 14 . 1 1 7 7 GLY HA2 H 1 3.918 0.300 . 1 . . . . 7 GLY HA2 . 10334 1 15 . 1 1 7 7 GLY HA3 H 1 3.918 0.300 . 1 . . . . 7 GLY HA3 . 10334 1 16 . 1 1 7 7 GLY C C 13 173.519 0.300 . 1 . . . . 7 GLY C . 10334 1 17 . 1 1 7 7 GLY CA C 13 45.220 0.300 . 1 . . . . 7 GLY CA . 10334 1 18 . 1 1 7 7 GLY N N 15 110.316 0.300 . 1 . . . . 7 GLY N . 10334 1 19 . 1 1 8 8 ILE H H 1 8.040 0.300 . 1 . . . . 8 ILE H . 10334 1 20 . 1 1 8 8 ILE HA H 1 4.324 0.300 . 1 . . . . 8 ILE HA . 10334 1 21 . 1 1 8 8 ILE HB H 1 1.922 0.300 . 1 . . . . 8 ILE HB . 10334 1 22 . 1 1 8 8 ILE HD11 H 1 0.884 0.300 . 1 . . . . 8 ILE HD1 . 10334 1 23 . 1 1 8 8 ILE HD12 H 1 0.884 0.300 . 1 . . . . 8 ILE HD1 . 10334 1 24 . 1 1 8 8 ILE HD13 H 1 0.884 0.300 . 1 . . . . 8 ILE HD1 . 10334 1 25 . 1 1 8 8 ILE HG12 H 1 1.236 0.300 . 2 . . . . 8 ILE HG12 . 10334 1 26 . 1 1 8 8 ILE HG13 H 1 1.530 0.300 . 2 . . . . 8 ILE HG13 . 10334 1 27 . 1 1 8 8 ILE HG21 H 1 0.992 0.300 . 1 . . . . 8 ILE HG2 . 10334 1 28 . 1 1 8 8 ILE HG22 H 1 0.992 0.300 . 1 . . . . 8 ILE HG2 . 10334 1 29 . 1 1 8 8 ILE HG23 H 1 0.992 0.300 . 1 . . . . 8 ILE HG2 . 10334 1 30 . 1 1 8 8 ILE C C 13 176.492 0.300 . 1 . . . . 8 ILE C . 10334 1 31 . 1 1 8 8 ILE CA C 13 61.183 0.300 . 1 . . . . 8 ILE CA . 10334 1 32 . 1 1 8 8 ILE CB C 13 39.128 0.300 . 1 . . . . 8 ILE CB . 10334 1 33 . 1 1 8 8 ILE CD1 C 13 13.001 0.300 . 1 . . . . 8 ILE CD1 . 10334 1 34 . 1 1 8 8 ILE CG1 C 13 27.300 0.300 . 1 . . . . 8 ILE CG1 . 10334 1 35 . 1 1 8 8 ILE CG2 C 13 17.615 0.300 . 1 . . . . 8 ILE CG2 . 10334 1 36 . 1 1 8 8 ILE N N 15 119.844 0.300 . 1 . . . . 8 ILE N . 10334 1 37 . 1 1 9 9 GLY H H 1 8.544 0.300 . 1 . . . . 9 GLY H . 10334 1 38 . 1 1 9 9 GLY HA2 H 1 4.026 0.300 . 2 . . . . 9 GLY HA2 . 10334 1 39 . 1 1 9 9 GLY HA3 H 1 4.689 0.300 . 2 . . . . 9 GLY HA3 . 10334 1 40 . 1 1 9 9 GLY C C 13 173.148 0.300 . 1 . . . . 9 GLY C . 10334 1 41 . 1 1 9 9 GLY CA C 13 45.628 0.300 . 1 . . . . 9 GLY CA . 10334 1 42 . 1 1 9 9 GLY N N 15 114.526 0.300 . 1 . . . . 9 GLY N . 10334 1 43 . 1 1 10 10 ASP H H 1 8.599 0.300 . 1 . . . . 10 ASP H . 10334 1 44 . 1 1 10 10 ASP HA H 1 4.936 0.300 . 1 . . . . 10 ASP HA . 10334 1 45 . 1 1 10 10 ASP HB2 H 1 2.538 0.300 . 2 . . . . 10 ASP HB2 . 10334 1 46 . 1 1 10 10 ASP HB3 H 1 2.735 0.300 . 2 . . . . 10 ASP HB3 . 10334 1 47 . 1 1 10 10 ASP C C 13 176.273 0.300 . 1 . . . . 10 ASP C . 10334 1 48 . 1 1 10 10 ASP CA C 13 52.931 0.300 . 1 . . . . 10 ASP CA . 10334 1 49 . 1 1 10 10 ASP CB C 13 42.527 0.300 . 1 . . . . 10 ASP CB . 10334 1 50 . 1 1 10 10 ASP N N 15 120.213 0.300 . 1 . . . . 10 ASP N . 10334 1 51 . 1 1 11 11 ALA H H 1 9.294 0.300 . 1 . . . . 11 ALA H . 10334 1 52 . 1 1 11 11 ALA HA H 1 3.828 0.300 . 1 . . . . 11 ALA HA . 10334 1 53 . 1 1 11 11 ALA HB1 H 1 1.672 0.300 . 1 . . . . 11 ALA HB . 10334 1 54 . 1 1 11 11 ALA HB2 H 1 1.672 0.300 . 1 . . . . 11 ALA HB . 10334 1 55 . 1 1 11 11 ALA HB3 H 1 1.672 0.300 . 1 . . . . 11 ALA HB . 10334 1 56 . 1 1 11 11 ALA C C 13 178.561 0.300 . 1 . . . . 11 ALA C . 10334 1 57 . 1 1 11 11 ALA CA C 13 55.186 0.300 . 1 . . . . 11 ALA CA . 10334 1 58 . 1 1 11 11 ALA CB C 13 19.862 0.300 . 1 . . . . 11 ALA CB . 10334 1 59 . 1 1 11 11 ALA N N 15 127.994 0.300 . 1 . . . . 11 ALA N . 10334 1 60 . 1 1 12 12 ARG H H 1 8.191 0.300 . 1 . . . . 12 ARG H . 10334 1 61 . 1 1 12 12 ARG HA H 1 4.042 0.300 . 1 . . . . 12 ARG HA . 10334 1 62 . 1 1 12 12 ARG HB2 H 1 1.931 0.300 . 1 . . . . 12 ARG HB2 . 10334 1 63 . 1 1 12 12 ARG HB3 H 1 1.931 0.300 . 1 . . . . 12 ARG HB3 . 10334 1 64 . 1 1 12 12 ARG HD2 H 1 3.215 0.300 . 2 . . . . 12 ARG HD2 . 10334 1 65 . 1 1 12 12 ARG HD3 H 1 3.331 0.300 . 2 . . . . 12 ARG HD3 . 10334 1 66 . 1 1 12 12 ARG HG2 H 1 1.779 0.300 . 2 . . . . 12 ARG HG2 . 10334 1 67 . 1 1 12 12 ARG HG3 H 1 1.850 0.300 . 2 . . . . 12 ARG HG3 . 10334 1 68 . 1 1 12 12 ARG C C 13 177.901 0.300 . 1 . . . . 12 ARG C . 10334 1 69 . 1 1 12 12 ARG CA C 13 57.912 0.300 . 1 . . . . 12 ARG CA . 10334 1 70 . 1 1 12 12 ARG CB C 13 29.636 0.300 . 1 . . . . 12 ARG CB . 10334 1 71 . 1 1 12 12 ARG CD C 13 43.371 0.300 . 1 . . . . 12 ARG CD . 10334 1 72 . 1 1 12 12 ARG CG C 13 27.232 0.300 . 1 . . . . 12 ARG CG . 10334 1 73 . 1 1 12 12 ARG N N 15 112.724 0.300 . 1 . . . . 12 ARG N . 10334 1 74 . 1 1 13 13 ARG H H 1 7.693 0.300 . 1 . . . . 13 ARG H . 10334 1 75 . 1 1 13 13 ARG HA H 1 4.301 0.300 . 1 . . . . 13 ARG HA . 10334 1 76 . 1 1 13 13 ARG HB2 H 1 1.506 0.300 . 2 . . . . 13 ARG HB2 . 10334 1 77 . 1 1 13 13 ARG HB3 H 1 1.925 0.300 . 2 . . . . 13 ARG HB3 . 10334 1 78 . 1 1 13 13 ARG HD2 H 1 3.226 0.300 . 1 . . . . 13 ARG HD2 . 10334 1 79 . 1 1 13 13 ARG HD3 H 1 3.226 0.300 . 1 . . . . 13 ARG HD3 . 10334 1 80 . 1 1 13 13 ARG HG2 H 1 1.480 0.300 . 2 . . . . 13 ARG HG2 . 10334 1 81 . 1 1 13 13 ARG HG3 H 1 1.591 0.300 . 2 . . . . 13 ARG HG3 . 10334 1 82 . 1 1 13 13 ARG C C 13 176.690 0.300 . 1 . . . . 13 ARG C . 10334 1 83 . 1 1 13 13 ARG CA C 13 55.280 0.300 . 1 . . . . 13 ARG CA . 10334 1 84 . 1 1 13 13 ARG CB C 13 31.540 0.300 . 1 . . . . 13 ARG CB . 10334 1 85 . 1 1 13 13 ARG CD C 13 43.392 0.300 . 1 . . . . 13 ARG CD . 10334 1 86 . 1 1 13 13 ARG CG C 13 27.858 0.300 . 1 . . . . 13 ARG CG . 10334 1 87 . 1 1 13 13 ARG N N 15 114.963 0.300 . 1 . . . . 13 ARG N . 10334 1 88 . 1 1 14 14 ALA H H 1 7.533 0.300 . 1 . . . . 14 ALA H . 10334 1 89 . 1 1 14 14 ALA HA H 1 4.242 0.300 . 1 . . . . 14 ALA HA . 10334 1 90 . 1 1 14 14 ALA HB1 H 1 1.074 0.300 . 1 . . . . 14 ALA HB . 10334 1 91 . 1 1 14 14 ALA HB2 H 1 1.074 0.300 . 1 . . . . 14 ALA HB . 10334 1 92 . 1 1 14 14 ALA HB3 H 1 1.074 0.300 . 1 . . . . 14 ALA HB . 10334 1 93 . 1 1 14 14 ALA C C 13 175.064 0.300 . 1 . . . . 14 ALA C . 10334 1 94 . 1 1 14 14 ALA CA C 13 51.743 0.300 . 1 . . . . 14 ALA CA . 10334 1 95 . 1 1 14 14 ALA CB C 13 19.538 0.300 . 1 . . . . 14 ALA CB . 10334 1 96 . 1 1 14 14 ALA N N 15 123.904 0.300 . 1 . . . . 14 ALA N . 10334 1 97 . 1 1 15 15 LYS H H 1 8.351 0.300 . 1 . . . . 15 LYS H . 10334 1 98 . 1 1 15 15 LYS HA H 1 4.860 0.300 . 1 . . . . 15 LYS HA . 10334 1 99 . 1 1 15 15 LYS HB2 H 1 2.026 0.300 . 2 . . . . 15 LYS HB2 . 10334 1 100 . 1 1 15 15 LYS HB3 H 1 1.902 0.300 . 2 . . . . 15 LYS HB3 . 10334 1 101 . 1 1 15 15 LYS HD2 H 1 1.709 0.300 . 1 . . . . 15 LYS HD2 . 10334 1 102 . 1 1 15 15 LYS HD3 H 1 1.709 0.300 . 1 . . . . 15 LYS HD3 . 10334 1 103 . 1 1 15 15 LYS HE2 H 1 2.963 0.300 . 1 . . . . 15 LYS HE2 . 10334 1 104 . 1 1 15 15 LYS HE3 H 1 2.963 0.300 . 1 . . . . 15 LYS HE3 . 10334 1 105 . 1 1 15 15 LYS HG2 H 1 1.451 0.300 . 1 . . . . 15 LYS HG2 . 10334 1 106 . 1 1 15 15 LYS HG3 H 1 1.451 0.300 . 1 . . . . 15 LYS HG3 . 10334 1 107 . 1 1 15 15 LYS C C 13 174.618 0.300 . 1 . . . . 15 LYS C . 10334 1 108 . 1 1 15 15 LYS CA C 13 55.341 0.300 . 1 . . . . 15 LYS CA . 10334 1 109 . 1 1 15 15 LYS CB C 13 36.062 0.300 . 1 . . . . 15 LYS CB . 10334 1 110 . 1 1 15 15 LYS CD C 13 29.352 0.300 . 1 . . . . 15 LYS CD . 10334 1 111 . 1 1 15 15 LYS CE C 13 42.142 0.300 . 1 . . . . 15 LYS CE . 10334 1 112 . 1 1 15 15 LYS CG C 13 24.854 0.300 . 1 . . . . 15 LYS CG . 10334 1 113 . 1 1 15 15 LYS N N 15 120.060 0.300 . 1 . . . . 15 LYS N . 10334 1 114 . 1 1 16 16 VAL H H 1 8.317 0.300 . 1 . . . . 16 VAL H . 10334 1 115 . 1 1 16 16 VAL HA H 1 5.601 0.300 . 1 . . . . 16 VAL HA . 10334 1 116 . 1 1 16 16 VAL HB H 1 2.042 0.300 . 1 . . . . 16 VAL HB . 10334 1 117 . 1 1 16 16 VAL HG11 H 1 1.047 0.300 . 1 . . . . 16 VAL HG1 . 10334 1 118 . 1 1 16 16 VAL HG12 H 1 1.047 0.300 . 1 . . . . 16 VAL HG1 . 10334 1 119 . 1 1 16 16 VAL HG13 H 1 1.047 0.300 . 1 . . . . 16 VAL HG1 . 10334 1 120 . 1 1 16 16 VAL HG21 H 1 1.006 0.300 . 1 . . . . 16 VAL HG2 . 10334 1 121 . 1 1 16 16 VAL HG22 H 1 1.006 0.300 . 1 . . . . 16 VAL HG2 . 10334 1 122 . 1 1 16 16 VAL HG23 H 1 1.006 0.300 . 1 . . . . 16 VAL HG2 . 10334 1 123 . 1 1 16 16 VAL C C 13 174.999 0.300 . 1 . . . . 16 VAL C . 10334 1 124 . 1 1 16 16 VAL CA C 13 59.257 0.300 . 1 . . . . 16 VAL CA . 10334 1 125 . 1 1 16 16 VAL CB C 13 35.157 0.300 . 1 . . . . 16 VAL CB . 10334 1 126 . 1 1 16 16 VAL CG1 C 13 22.980 0.300 . 2 . . . . 16 VAL CG1 . 10334 1 127 . 1 1 16 16 VAL CG2 C 13 21.611 0.300 . 2 . . . . 16 VAL CG2 . 10334 1 128 . 1 1 16 16 VAL N N 15 118.786 0.300 . 1 . . . . 16 VAL N . 10334 1 129 . 1 1 17 17 TYR H H 1 8.385 0.300 . 1 . . . . 17 TYR H . 10334 1 130 . 1 1 17 17 TYR HA H 1 4.799 0.300 . 1 . . . . 17 TYR HA . 10334 1 131 . 1 1 17 17 TYR HB2 H 1 2.866 0.300 . 2 . . . . 17 TYR HB2 . 10334 1 132 . 1 1 17 17 TYR HB3 H 1 3.272 0.300 . 2 . . . . 17 TYR HB3 . 10334 1 133 . 1 1 17 17 TYR HD1 H 1 6.819 0.300 . 1 . . . . 17 TYR HD1 . 10334 1 134 . 1 1 17 17 TYR HD2 H 1 6.819 0.300 . 1 . . . . 17 TYR HD2 . 10334 1 135 . 1 1 17 17 TYR HE1 H 1 6.708 0.300 . 1 . . . . 17 TYR HE1 . 10334 1 136 . 1 1 17 17 TYR HE2 H 1 6.708 0.300 . 1 . . . . 17 TYR HE2 . 10334 1 137 . 1 1 17 17 TYR C C 13 173.552 0.300 . 1 . . . . 17 TYR C . 10334 1 138 . 1 1 17 17 TYR CA C 13 56.487 0.300 . 1 . . . . 17 TYR CA . 10334 1 139 . 1 1 17 17 TYR CB C 13 38.759 0.300 . 1 . . . . 17 TYR CB . 10334 1 140 . 1 1 17 17 TYR CD1 C 13 133.997 0.300 . 1 . . . . 17 TYR CD1 . 10334 1 141 . 1 1 17 17 TYR CD2 C 13 133.997 0.300 . 1 . . . . 17 TYR CD2 . 10334 1 142 . 1 1 17 17 TYR CE1 C 13 117.384 0.300 . 1 . . . . 17 TYR CE1 . 10334 1 143 . 1 1 17 17 TYR CE2 C 13 117.384 0.300 . 1 . . . . 17 TYR CE2 . 10334 1 144 . 1 1 17 17 TYR N N 15 119.392 0.300 . 1 . . . . 17 TYR N . 10334 1 145 . 1 1 18 18 GLY H H 1 8.666 0.300 . 1 . . . . 18 GLY H . 10334 1 146 . 1 1 18 18 GLY HA2 H 1 4.095 0.300 . 1 . . . . 18 GLY HA2 . 10334 1 147 . 1 1 18 18 GLY HA3 H 1 4.095 0.300 . 1 . . . . 18 GLY HA3 . 10334 1 148 . 1 1 18 18 GLY C C 13 175.052 0.300 . 1 . . . . 18 GLY C . 10334 1 149 . 1 1 18 18 GLY CA C 13 44.728 0.300 . 1 . . . . 18 GLY CA . 10334 1 150 . 1 1 18 18 GLY N N 15 108.979 0.300 . 1 . . . . 18 GLY N . 10334 1 151 . 1 1 19 19 ARG HA H 1 4.176 0.300 . 1 . . . . 19 ARG HA . 10334 1 152 . 1 1 19 19 ARG HB2 H 1 2.095 0.300 . 2 . . . . 19 ARG HB2 . 10334 1 153 . 1 1 19 19 ARG HB3 H 1 2.027 0.300 . 2 . . . . 19 ARG HB3 . 10334 1 154 . 1 1 19 19 ARG HD2 H 1 3.270 0.300 . 2 . . . . 19 ARG HD2 . 10334 1 155 . 1 1 19 19 ARG HD3 H 1 3.319 0.300 . 2 . . . . 19 ARG HD3 . 10334 1 156 . 1 1 19 19 ARG HG2 H 1 1.910 0.300 . 1 . . . . 19 ARG HG2 . 10334 1 157 . 1 1 19 19 ARG HG3 H 1 1.910 0.300 . 1 . . . . 19 ARG HG3 . 10334 1 158 . 1 1 19 19 ARG C C 13 178.056 0.300 . 1 . . . . 19 ARG C . 10334 1 159 . 1 1 19 19 ARG CA C 13 59.610 0.300 . 1 . . . . 19 ARG CA . 10334 1 160 . 1 1 19 19 ARG CB C 13 30.040 0.300 . 1 . . . . 19 ARG CB . 10334 1 161 . 1 1 19 19 ARG CD C 13 43.521 0.300 . 1 . . . . 19 ARG CD . 10334 1 162 . 1 1 19 19 ARG CG C 13 27.710 0.300 . 1 . . . . 19 ARG CG . 10334 1 163 . 1 1 20 20 GLY H H 1 8.720 0.300 . 1 . . . . 20 GLY H . 10334 1 164 . 1 1 20 20 GLY HA2 H 1 3.513 0.300 . 2 . . . . 20 GLY HA2 . 10334 1 165 . 1 1 20 20 GLY HA3 H 1 4.280 0.300 . 2 . . . . 20 GLY HA3 . 10334 1 166 . 1 1 20 20 GLY C C 13 172.240 0.300 . 1 . . . . 20 GLY C . 10334 1 167 . 1 1 20 20 GLY CA C 13 46.267 0.300 . 1 . . . . 20 GLY CA . 10334 1 168 . 1 1 20 20 GLY N N 15 103.738 0.300 . 1 . . . . 20 GLY N . 10334 1 169 . 1 1 21 21 LEU H H 1 6.969 0.300 . 1 . . . . 21 LEU H . 10334 1 170 . 1 1 21 21 LEU HA H 1 3.906 0.300 . 1 . . . . 21 LEU HA . 10334 1 171 . 1 1 21 21 LEU HB2 H 1 0.835 0.300 . 2 . . . . 21 LEU HB2 . 10334 1 172 . 1 1 21 21 LEU HB3 H 1 1.225 0.300 . 2 . . . . 21 LEU HB3 . 10334 1 173 . 1 1 21 21 LEU HD11 H 1 -0.102 0.300 . 1 . . . . 21 LEU HD1 . 10334 1 174 . 1 1 21 21 LEU HD12 H 1 -0.102 0.300 . 1 . . . . 21 LEU HD1 . 10334 1 175 . 1 1 21 21 LEU HD13 H 1 -0.102 0.300 . 1 . . . . 21 LEU HD1 . 10334 1 176 . 1 1 21 21 LEU HD21 H 1 -1.071 0.300 . 1 . . . . 21 LEU HD2 . 10334 1 177 . 1 1 21 21 LEU HD22 H 1 -1.071 0.300 . 1 . . . . 21 LEU HD2 . 10334 1 178 . 1 1 21 21 LEU HD23 H 1 -1.071 0.300 . 1 . . . . 21 LEU HD2 . 10334 1 179 . 1 1 21 21 LEU HG H 1 0.437 0.300 . 1 . . . . 21 LEU HG . 10334 1 180 . 1 1 21 21 LEU C C 13 175.873 0.300 . 1 . . . . 21 LEU C . 10334 1 181 . 1 1 21 21 LEU CA C 13 54.040 0.300 . 1 . . . . 21 LEU CA . 10334 1 182 . 1 1 21 21 LEU CB C 13 40.712 0.300 . 1 . . . . 21 LEU CB . 10334 1 183 . 1 1 21 21 LEU CD1 C 13 24.467 0.300 . 2 . . . . 21 LEU CD1 . 10334 1 184 . 1 1 21 21 LEU CD2 C 13 19.029 0.300 . 2 . . . . 21 LEU CD2 . 10334 1 185 . 1 1 21 21 LEU CG C 13 25.631 0.300 . 1 . . . . 21 LEU CG . 10334 1 186 . 1 1 21 21 LEU N N 15 115.705 0.300 . 1 . . . . 21 LEU N . 10334 1 187 . 1 1 22 22 SER H H 1 8.176 0.300 . 1 . . . . 22 SER H . 10334 1 188 . 1 1 22 22 SER HA H 1 4.851 0.300 . 1 . . . . 22 SER HA . 10334 1 189 . 1 1 22 22 SER HB2 H 1 3.897 0.300 . 1 . . . . 22 SER HB2 . 10334 1 190 . 1 1 22 22 SER HB3 H 1 3.897 0.300 . 1 . . . . 22 SER HB3 . 10334 1 191 . 1 1 22 22 SER C C 13 173.805 0.300 . 1 . . . . 22 SER C . 10334 1 192 . 1 1 22 22 SER CA C 13 60.163 0.300 . 1 . . . . 22 SER CA . 10334 1 193 . 1 1 22 22 SER CB C 13 65.312 0.300 . 1 . . . . 22 SER CB . 10334 1 194 . 1 1 22 22 SER N N 15 111.482 0.300 . 1 . . . . 22 SER N . 10334 1 195 . 1 1 23 23 GLU H H 1 8.436 0.300 . 1 . . . . 23 GLU H . 10334 1 196 . 1 1 23 23 GLU HA H 1 5.318 0.300 . 1 . . . . 23 GLU HA . 10334 1 197 . 1 1 23 23 GLU HB2 H 1 2.087 0.300 . 2 . . . . 23 GLU HB2 . 10334 1 198 . 1 1 23 23 GLU HB3 H 1 2.253 0.300 . 2 . . . . 23 GLU HB3 . 10334 1 199 . 1 1 23 23 GLU HG2 H 1 2.184 0.300 . 2 . . . . 23 GLU HG2 . 10334 1 200 . 1 1 23 23 GLU HG3 H 1 2.293 0.300 . 2 . . . . 23 GLU HG3 . 10334 1 201 . 1 1 23 23 GLU C C 13 173.655 0.300 . 1 . . . . 23 GLU C . 10334 1 202 . 1 1 23 23 GLU CA C 13 55.423 0.300 . 1 . . . . 23 GLU CA . 10334 1 203 . 1 1 23 23 GLU CB C 13 33.122 0.300 . 1 . . . . 23 GLU CB . 10334 1 204 . 1 1 23 23 GLU CG C 13 35.551 0.300 . 1 . . . . 23 GLU CG . 10334 1 205 . 1 1 23 23 GLU N N 15 120.898 0.300 . 1 . . . . 23 GLU N . 10334 1 206 . 1 1 24 24 GLY H H 1 7.940 0.300 . 1 . . . . 24 GLY H . 10334 1 207 . 1 1 24 24 GLY HA2 H 1 3.674 0.300 . 2 . . . . 24 GLY HA2 . 10334 1 208 . 1 1 24 24 GLY HA3 H 1 4.171 0.300 . 2 . . . . 24 GLY HA3 . 10334 1 209 . 1 1 24 24 GLY C C 13 171.496 0.300 . 1 . . . . 24 GLY C . 10334 1 210 . 1 1 24 24 GLY CA C 13 45.119 0.300 . 1 . . . . 24 GLY CA . 10334 1 211 . 1 1 24 24 GLY N N 15 106.317 0.300 . 1 . . . . 24 GLY N . 10334 1 212 . 1 1 25 25 ARG H H 1 8.839 0.300 . 1 . . . . 25 ARG H . 10334 1 213 . 1 1 25 25 ARG HA H 1 5.369 0.300 . 1 . . . . 25 ARG HA . 10334 1 214 . 1 1 25 25 ARG HB2 H 1 1.444 0.300 . 2 . . . . 25 ARG HB2 . 10334 1 215 . 1 1 25 25 ARG HB3 H 1 1.692 0.300 . 2 . . . . 25 ARG HB3 . 10334 1 216 . 1 1 25 25 ARG HD2 H 1 3.105 0.300 . 2 . . . . 25 ARG HD2 . 10334 1 217 . 1 1 25 25 ARG HD3 H 1 3.148 0.300 . 2 . . . . 25 ARG HD3 . 10334 1 218 . 1 1 25 25 ARG HG2 H 1 1.573 0.300 . 2 . . . . 25 ARG HG2 . 10334 1 219 . 1 1 25 25 ARG HG3 H 1 1.502 0.300 . 2 . . . . 25 ARG HG3 . 10334 1 220 . 1 1 25 25 ARG C C 13 175.687 0.300 . 1 . . . . 25 ARG C . 10334 1 221 . 1 1 25 25 ARG CA C 13 53.944 0.300 . 1 . . . . 25 ARG CA . 10334 1 222 . 1 1 25 25 ARG CB C 13 33.772 0.300 . 1 . . . . 25 ARG CB . 10334 1 223 . 1 1 25 25 ARG CD C 13 43.191 0.300 . 1 . . . . 25 ARG CD . 10334 1 224 . 1 1 25 25 ARG CG C 13 27.098 0.300 . 1 . . . . 25 ARG CG . 10334 1 225 . 1 1 25 25 ARG N N 15 120.763 0.300 . 1 . . . . 25 ARG N . 10334 1 226 . 1 1 26 26 THR H H 1 8.025 0.300 . 1 . . . . 26 THR H . 10334 1 227 . 1 1 26 26 THR HA H 1 3.417 0.300 . 1 . . . . 26 THR HA . 10334 1 228 . 1 1 26 26 THR HB H 1 3.618 0.300 . 1 . . . . 26 THR HB . 10334 1 229 . 1 1 26 26 THR HG21 H 1 0.546 0.300 . 1 . . . . 26 THR HG2 . 10334 1 230 . 1 1 26 26 THR HG22 H 1 0.546 0.300 . 1 . . . . 26 THR HG2 . 10334 1 231 . 1 1 26 26 THR HG23 H 1 0.546 0.300 . 1 . . . . 26 THR HG2 . 10334 1 232 . 1 1 26 26 THR C C 13 174.465 0.300 . 1 . . . . 26 THR C . 10334 1 233 . 1 1 26 26 THR CA C 13 61.477 0.300 . 1 . . . . 26 THR CA . 10334 1 234 . 1 1 26 26 THR CB C 13 68.640 0.300 . 1 . . . . 26 THR CB . 10334 1 235 . 1 1 26 26 THR CG2 C 13 23.943 0.300 . 1 . . . . 26 THR CG2 . 10334 1 236 . 1 1 26 26 THR N N 15 111.192 0.300 . 1 . . . . 26 THR N . 10334 1 237 . 1 1 27 27 PHE H H 1 7.984 0.300 . 1 . . . . 27 PHE H . 10334 1 238 . 1 1 27 27 PHE HA H 1 2.959 0.300 . 1 . . . . 27 PHE HA . 10334 1 239 . 1 1 27 27 PHE HB2 H 1 3.392 0.300 . 2 . . . . 27 PHE HB2 . 10334 1 240 . 1 1 27 27 PHE HB3 H 1 3.114 0.300 . 2 . . . . 27 PHE HB3 . 10334 1 241 . 1 1 27 27 PHE HD1 H 1 7.189 0.300 . 1 . . . . 27 PHE HD1 . 10334 1 242 . 1 1 27 27 PHE HD2 H 1 7.189 0.300 . 1 . . . . 27 PHE HD2 . 10334 1 243 . 1 1 27 27 PHE HE1 H 1 7.438 0.300 . 1 . . . . 27 PHE HE1 . 10334 1 244 . 1 1 27 27 PHE HE2 H 1 7.438 0.300 . 1 . . . . 27 PHE HE2 . 10334 1 245 . 1 1 27 27 PHE HZ H 1 7.387 0.300 . 1 . . . . 27 PHE HZ . 10334 1 246 . 1 1 27 27 PHE C C 13 173.075 0.300 . 1 . . . . 27 PHE C . 10334 1 247 . 1 1 27 27 PHE CA C 13 60.613 0.300 . 1 . . . . 27 PHE CA . 10334 1 248 . 1 1 27 27 PHE CB C 13 35.342 0.300 . 1 . . . . 27 PHE CB . 10334 1 249 . 1 1 27 27 PHE CD1 C 13 131.625 0.300 . 1 . . . . 27 PHE CD1 . 10334 1 250 . 1 1 27 27 PHE CD2 C 13 131.625 0.300 . 1 . . . . 27 PHE CD2 . 10334 1 251 . 1 1 27 27 PHE CE1 C 13 131.657 0.300 . 1 . . . . 27 PHE CE1 . 10334 1 252 . 1 1 27 27 PHE CE2 C 13 131.657 0.300 . 1 . . . . 27 PHE CE2 . 10334 1 253 . 1 1 27 27 PHE CZ C 13 129.871 0.300 . 1 . . . . 27 PHE CZ . 10334 1 254 . 1 1 27 27 PHE N N 15 109.619 0.300 . 1 . . . . 27 PHE N . 10334 1 255 . 1 1 28 28 GLU H H 1 7.103 0.300 . 1 . . . . 28 GLU H . 10334 1 256 . 1 1 28 28 GLU HA H 1 4.579 0.300 . 1 . . . . 28 GLU HA . 10334 1 257 . 1 1 28 28 GLU HB2 H 1 1.685 0.300 . 2 . . . . 28 GLU HB2 . 10334 1 258 . 1 1 28 28 GLU HB3 H 1 1.923 0.300 . 2 . . . . 28 GLU HB3 . 10334 1 259 . 1 1 28 28 GLU HG2 H 1 2.194 0.300 . 2 . . . . 28 GLU HG2 . 10334 1 260 . 1 1 28 28 GLU HG3 H 1 2.124 0.300 . 2 . . . . 28 GLU HG3 . 10334 1 261 . 1 1 28 28 GLU C C 13 175.132 0.300 . 1 . . . . 28 GLU C . 10334 1 262 . 1 1 28 28 GLU CA C 13 54.531 0.300 . 1 . . . . 28 GLU CA . 10334 1 263 . 1 1 28 28 GLU CB C 13 33.047 0.300 . 1 . . . . 28 GLU CB . 10334 1 264 . 1 1 28 28 GLU CG C 13 36.249 0.300 . 1 . . . . 28 GLU CG . 10334 1 265 . 1 1 28 28 GLU N N 15 115.464 0.300 . 1 . . . . 28 GLU N . 10334 1 266 . 1 1 29 29 MET H H 1 8.877 0.300 . 1 . . . . 29 MET H . 10334 1 267 . 1 1 29 29 MET HA H 1 4.655 0.300 . 1 . . . . 29 MET HA . 10334 1 268 . 1 1 29 29 MET HB2 H 1 1.997 0.300 . 2 . . . . 29 MET HB2 . 10334 1 269 . 1 1 29 29 MET HB3 H 1 2.062 0.300 . 2 . . . . 29 MET HB3 . 10334 1 270 . 1 1 29 29 MET HE1 H 1 1.916 0.300 . 1 . . . . 29 MET HE . 10334 1 271 . 1 1 29 29 MET HE2 H 1 1.916 0.300 . 1 . . . . 29 MET HE . 10334 1 272 . 1 1 29 29 MET HE3 H 1 1.916 0.300 . 1 . . . . 29 MET HE . 10334 1 273 . 1 1 29 29 MET HG2 H 1 2.603 0.300 . 2 . . . . 29 MET HG2 . 10334 1 274 . 1 1 29 29 MET HG3 H 1 2.538 0.300 . 2 . . . . 29 MET HG3 . 10334 1 275 . 1 1 29 29 MET C C 13 177.139 0.300 . 1 . . . . 29 MET C . 10334 1 276 . 1 1 29 29 MET CA C 13 55.799 0.300 . 1 . . . . 29 MET CA . 10334 1 277 . 1 1 29 29 MET CB C 13 32.774 0.300 . 1 . . . . 29 MET CB . 10334 1 278 . 1 1 29 29 MET CE C 13 16.811 0.300 . 1 . . . . 29 MET CE . 10334 1 279 . 1 1 29 29 MET CG C 13 32.451 0.300 . 1 . . . . 29 MET CG . 10334 1 280 . 1 1 29 29 MET N N 15 122.826 0.300 . 1 . . . . 29 MET N . 10334 1 281 . 1 1 30 30 SER H H 1 8.785 0.300 . 1 . . . . 30 SER H . 10334 1 282 . 1 1 30 30 SER HA H 1 4.558 0.300 . 1 . . . . 30 SER HA . 10334 1 283 . 1 1 30 30 SER HB2 H 1 3.187 0.300 . 2 . . . . 30 SER HB2 . 10334 1 284 . 1 1 30 30 SER HB3 H 1 2.389 0.300 . 2 . . . . 30 SER HB3 . 10334 1 285 . 1 1 30 30 SER C C 13 172.350 0.300 . 1 . . . . 30 SER C . 10334 1 286 . 1 1 30 30 SER CA C 13 59.486 0.300 . 1 . . . . 30 SER CA . 10334 1 287 . 1 1 30 30 SER CB C 13 66.192 0.300 . 1 . . . . 30 SER CB . 10334 1 288 . 1 1 30 30 SER N N 15 124.746 0.300 . 1 . . . . 30 SER N . 10334 1 289 . 1 1 31 31 ASP H H 1 8.576 0.300 . 1 . . . . 31 ASP H . 10334 1 290 . 1 1 31 31 ASP HA H 1 5.948 0.300 . 1 . . . . 31 ASP HA . 10334 1 291 . 1 1 31 31 ASP HB2 H 1 2.532 0.300 . 2 . . . . 31 ASP HB2 . 10334 1 292 . 1 1 31 31 ASP HB3 H 1 2.458 0.300 . 2 . . . . 31 ASP HB3 . 10334 1 293 . 1 1 31 31 ASP C C 13 175.298 0.300 . 1 . . . . 31 ASP C . 10334 1 294 . 1 1 31 31 ASP CA C 13 52.781 0.300 . 1 . . . . 31 ASP CA . 10334 1 295 . 1 1 31 31 ASP CB C 13 45.752 0.300 . 1 . . . . 31 ASP CB . 10334 1 296 . 1 1 31 31 ASP N N 15 117.791 0.300 . 1 . . . . 31 ASP N . 10334 1 297 . 1 1 32 32 PHE H H 1 8.797 0.300 . 1 . . . . 32 PHE H . 10334 1 298 . 1 1 32 32 PHE HA H 1 4.854 0.300 . 1 . . . . 32 PHE HA . 10334 1 299 . 1 1 32 32 PHE HB2 H 1 2.690 0.300 . 2 . . . . 32 PHE HB2 . 10334 1 300 . 1 1 32 32 PHE HB3 H 1 2.835 0.300 . 2 . . . . 32 PHE HB3 . 10334 1 301 . 1 1 32 32 PHE HD1 H 1 6.604 0.300 . 1 . . . . 32 PHE HD1 . 10334 1 302 . 1 1 32 32 PHE HD2 H 1 6.604 0.300 . 1 . . . . 32 PHE HD2 . 10334 1 303 . 1 1 32 32 PHE HE1 H 1 6.818 0.300 . 1 . . . . 32 PHE HE1 . 10334 1 304 . 1 1 32 32 PHE HE2 H 1 6.818 0.300 . 1 . . . . 32 PHE HE2 . 10334 1 305 . 1 1 32 32 PHE HZ H 1 6.696 0.300 . 1 . . . . 32 PHE HZ . 10334 1 306 . 1 1 32 32 PHE C C 13 171.202 0.300 . 1 . . . . 32 PHE C . 10334 1 307 . 1 1 32 32 PHE CA C 13 56.996 0.300 . 1 . . . . 32 PHE CA . 10334 1 308 . 1 1 32 32 PHE CB C 13 40.005 0.300 . 1 . . . . 32 PHE CB . 10334 1 309 . 1 1 32 32 PHE CD1 C 13 132.514 0.300 . 1 . . . . 32 PHE CD1 . 10334 1 310 . 1 1 32 32 PHE CD2 C 13 132.514 0.300 . 1 . . . . 32 PHE CD2 . 10334 1 311 . 1 1 32 32 PHE CE1 C 13 130.203 0.300 . 1 . . . . 32 PHE CE1 . 10334 1 312 . 1 1 32 32 PHE CE2 C 13 130.203 0.300 . 1 . . . . 32 PHE CE2 . 10334 1 313 . 1 1 32 32 PHE CZ C 13 129.095 0.300 . 1 . . . . 32 PHE CZ . 10334 1 314 . 1 1 32 32 PHE N N 15 112.710 0.300 . 1 . . . . 32 PHE N . 10334 1 315 . 1 1 33 33 ILE H H 1 8.921 0.300 . 1 . . . . 33 ILE H . 10334 1 316 . 1 1 33 33 ILE HA H 1 4.866 0.300 . 1 . . . . 33 ILE HA . 10334 1 317 . 1 1 33 33 ILE HB H 1 1.031 0.300 . 1 . . . . 33 ILE HB . 10334 1 318 . 1 1 33 33 ILE HD11 H 1 0.681 0.300 . 1 . . . . 33 ILE HD1 . 10334 1 319 . 1 1 33 33 ILE HD12 H 1 0.681 0.300 . 1 . . . . 33 ILE HD1 . 10334 1 320 . 1 1 33 33 ILE HD13 H 1 0.681 0.300 . 1 . . . . 33 ILE HD1 . 10334 1 321 . 1 1 33 33 ILE HG12 H 1 1.322 0.300 . 2 . . . . 33 ILE HG12 . 10334 1 322 . 1 1 33 33 ILE HG13 H 1 1.273 0.300 . 2 . . . . 33 ILE HG13 . 10334 1 323 . 1 1 33 33 ILE HG21 H 1 0.679 0.300 . 1 . . . . 33 ILE HG2 . 10334 1 324 . 1 1 33 33 ILE HG22 H 1 0.679 0.300 . 1 . . . . 33 ILE HG2 . 10334 1 325 . 1 1 33 33 ILE HG23 H 1 0.679 0.300 . 1 . . . . 33 ILE HG2 . 10334 1 326 . 1 1 33 33 ILE C C 13 175.058 0.300 . 1 . . . . 33 ILE C . 10334 1 327 . 1 1 33 33 ILE CA C 13 57.611 0.300 . 1 . . . . 33 ILE CA . 10334 1 328 . 1 1 33 33 ILE CB C 13 39.047 0.300 . 1 . . . . 33 ILE CB . 10334 1 329 . 1 1 33 33 ILE CD1 C 13 10.455 0.300 . 1 . . . . 33 ILE CD1 . 10334 1 330 . 1 1 33 33 ILE CG1 C 13 27.249 0.300 . 1 . . . . 33 ILE CG1 . 10334 1 331 . 1 1 33 33 ILE CG2 C 13 17.612 0.300 . 1 . . . . 33 ILE CG2 . 10334 1 332 . 1 1 33 33 ILE N N 15 120.196 0.300 . 1 . . . . 33 ILE N . 10334 1 333 . 1 1 34 34 VAL H H 1 9.096 0.300 . 1 . . . . 34 VAL H . 10334 1 334 . 1 1 34 34 VAL HA H 1 4.559 0.300 . 1 . . . . 34 VAL HA . 10334 1 335 . 1 1 34 34 VAL HB H 1 2.019 0.300 . 1 . . . . 34 VAL HB . 10334 1 336 . 1 1 34 34 VAL HG11 H 1 0.907 0.300 . 1 . . . . 34 VAL HG1 . 10334 1 337 . 1 1 34 34 VAL HG12 H 1 0.907 0.300 . 1 . . . . 34 VAL HG1 . 10334 1 338 . 1 1 34 34 VAL HG13 H 1 0.907 0.300 . 1 . . . . 34 VAL HG1 . 10334 1 339 . 1 1 34 34 VAL HG21 H 1 1.048 0.300 . 1 . . . . 34 VAL HG2 . 10334 1 340 . 1 1 34 34 VAL HG22 H 1 1.048 0.300 . 1 . . . . 34 VAL HG2 . 10334 1 341 . 1 1 34 34 VAL HG23 H 1 1.048 0.300 . 1 . . . . 34 VAL HG2 . 10334 1 342 . 1 1 34 34 VAL C C 13 174.604 0.300 . 1 . . . . 34 VAL C . 10334 1 343 . 1 1 34 34 VAL CA C 13 61.096 0.300 . 1 . . . . 34 VAL CA . 10334 1 344 . 1 1 34 34 VAL CB C 13 33.916 0.300 . 1 . . . . 34 VAL CB . 10334 1 345 . 1 1 34 34 VAL CG1 C 13 21.344 0.300 . 2 . . . . 34 VAL CG1 . 10334 1 346 . 1 1 34 34 VAL CG2 C 13 21.927 0.300 . 2 . . . . 34 VAL CG2 . 10334 1 347 . 1 1 34 34 VAL N N 15 123.246 0.300 . 1 . . . . 34 VAL N . 10334 1 348 . 1 1 35 35 ASP H H 1 9.441 0.300 . 1 . . . . 35 ASP H . 10334 1 349 . 1 1 35 35 ASP HA H 1 5.155 0.300 . 1 . . . . 35 ASP HA . 10334 1 350 . 1 1 35 35 ASP HB2 H 1 2.490 0.300 . 2 . . . . 35 ASP HB2 . 10334 1 351 . 1 1 35 35 ASP HB3 H 1 3.318 0.300 . 2 . . . . 35 ASP HB3 . 10334 1 352 . 1 1 35 35 ASP C C 13 177.548 0.300 . 1 . . . . 35 ASP C . 10334 1 353 . 1 1 35 35 ASP CA C 13 52.090 0.300 . 1 . . . . 35 ASP CA . 10334 1 354 . 1 1 35 35 ASP CB C 13 42.595 0.300 . 1 . . . . 35 ASP CB . 10334 1 355 . 1 1 35 35 ASP N N 15 126.769 0.300 . 1 . . . . 35 ASP N . 10334 1 356 . 1 1 36 36 THR H H 1 9.330 0.300 . 1 . . . . 36 THR H . 10334 1 357 . 1 1 36 36 THR HA H 1 4.162 0.300 . 1 . . . . 36 THR HA . 10334 1 358 . 1 1 36 36 THR HB H 1 4.236 0.300 . 1 . . . . 36 THR HB . 10334 1 359 . 1 1 36 36 THR HG21 H 1 0.819 0.300 . 1 . . . . 36 THR HG2 . 10334 1 360 . 1 1 36 36 THR HG22 H 1 0.819 0.300 . 1 . . . . 36 THR HG2 . 10334 1 361 . 1 1 36 36 THR HG23 H 1 0.819 0.300 . 1 . . . . 36 THR HG2 . 10334 1 362 . 1 1 36 36 THR C C 13 176.349 0.300 . 1 . . . . 36 THR C . 10334 1 363 . 1 1 36 36 THR CA C 13 60.461 0.300 . 1 . . . . 36 THR CA . 10334 1 364 . 1 1 36 36 THR CB C 13 67.531 0.300 . 1 . . . . 36 THR CB . 10334 1 365 . 1 1 36 36 THR CG2 C 13 22.123 0.300 . 1 . . . . 36 THR CG2 . 10334 1 366 . 1 1 36 36 THR N N 15 117.519 0.300 . 1 . . . . 36 THR N . 10334 1 367 . 1 1 37 37 ARG H H 1 8.477 0.300 . 1 . . . . 37 ARG H . 10334 1 368 . 1 1 37 37 ARG HA H 1 4.016 0.300 . 1 . . . . 37 ARG HA . 10334 1 369 . 1 1 37 37 ARG HB2 H 1 1.858 0.300 . 2 . . . . 37 ARG HB2 . 10334 1 370 . 1 1 37 37 ARG HB3 H 1 1.999 0.300 . 2 . . . . 37 ARG HB3 . 10334 1 371 . 1 1 37 37 ARG HD2 H 1 3.165 0.300 . 2 . . . . 37 ARG HD2 . 10334 1 372 . 1 1 37 37 ARG HD3 H 1 3.486 0.300 . 2 . . . . 37 ARG HD3 . 10334 1 373 . 1 1 37 37 ARG HE H 1 7.769 0.300 . 1 . . . . 37 ARG HE . 10334 1 374 . 1 1 37 37 ARG HG2 H 1 1.863 0.300 . 2 . . . . 37 ARG HG2 . 10334 1 375 . 1 1 37 37 ARG HG3 H 1 1.820 0.300 . 2 . . . . 37 ARG HG3 . 10334 1 376 . 1 1 37 37 ARG C C 13 177.883 0.300 . 1 . . . . 37 ARG C . 10334 1 377 . 1 1 37 37 ARG CA C 13 60.136 0.300 . 1 . . . . 37 ARG CA . 10334 1 378 . 1 1 37 37 ARG CB C 13 30.444 0.300 . 1 . . . . 37 ARG CB . 10334 1 379 . 1 1 37 37 ARG CD C 13 43.364 0.300 . 1 . . . . 37 ARG CD . 10334 1 380 . 1 1 37 37 ARG CG C 13 26.971 0.300 . 1 . . . . 37 ARG CG . 10334 1 381 . 1 1 37 37 ARG N N 15 123.952 0.300 . 1 . . . . 37 ARG N . 10334 1 382 . 1 1 37 37 ARG NE N 15 84.920 0.300 . 1 . . . . 37 ARG NE . 10334 1 383 . 1 1 38 38 ASP H H 1 8.638 0.300 . 1 . . . . 38 ASP H . 10334 1 384 . 1 1 38 38 ASP HA H 1 4.931 0.300 . 1 . . . . 38 ASP HA . 10334 1 385 . 1 1 38 38 ASP HB2 H 1 2.375 0.300 . 2 . . . . 38 ASP HB2 . 10334 1 386 . 1 1 38 38 ASP HB3 H 1 2.755 0.300 . 2 . . . . 38 ASP HB3 . 10334 1 387 . 1 1 38 38 ASP C C 13 175.737 0.300 . 1 . . . . 38 ASP C . 10334 1 388 . 1 1 38 38 ASP CA C 13 53.726 0.300 . 1 . . . . 38 ASP CA . 10334 1 389 . 1 1 38 38 ASP CB C 13 41.913 0.300 . 1 . . . . 38 ASP CB . 10334 1 390 . 1 1 38 38 ASP N N 15 116.170 0.300 . 1 . . . . 38 ASP N . 10334 1 391 . 1 1 39 39 ALA H H 1 7.331 0.300 . 1 . . . . 39 ALA H . 10334 1 392 . 1 1 39 39 ALA HA H 1 4.144 0.300 . 1 . . . . 39 ALA HA . 10334 1 393 . 1 1 39 39 ALA HB1 H 1 0.564 0.300 . 1 . . . . 39 ALA HB . 10334 1 394 . 1 1 39 39 ALA HB2 H 1 0.564 0.300 . 1 . . . . 39 ALA HB . 10334 1 395 . 1 1 39 39 ALA HB3 H 1 0.564 0.300 . 1 . . . . 39 ALA HB . 10334 1 396 . 1 1 39 39 ALA C C 13 175.867 0.300 . 1 . . . . 39 ALA C . 10334 1 397 . 1 1 39 39 ALA CA C 13 52.307 0.300 . 1 . . . . 39 ALA CA . 10334 1 398 . 1 1 39 39 ALA CB C 13 19.877 0.300 . 1 . . . . 39 ALA CB . 10334 1 399 . 1 1 39 39 ALA N N 15 121.039 0.300 . 1 . . . . 39 ALA N . 10334 1 400 . 1 1 40 40 GLY H H 1 8.030 0.300 . 1 . . . . 40 GLY H . 10334 1 401 . 1 1 40 40 GLY HA2 H 1 3.621 0.300 . 2 . . . . 40 GLY HA2 . 10334 1 402 . 1 1 40 40 GLY HA3 H 1 4.276 0.300 . 2 . . . . 40 GLY HA3 . 10334 1 403 . 1 1 40 40 GLY C C 13 173.373 0.300 . 1 . . . . 40 GLY C . 10334 1 404 . 1 1 40 40 GLY CA C 13 44.801 0.300 . 1 . . . . 40 GLY CA . 10334 1 405 . 1 1 40 40 GLY N N 15 106.401 0.300 . 1 . . . . 40 GLY N . 10334 1 406 . 1 1 41 41 TYR H H 1 8.341 0.300 . 1 . . . . 41 TYR H . 10334 1 407 . 1 1 41 41 TYR HA H 1 4.591 0.300 . 1 . . . . 41 TYR HA . 10334 1 408 . 1 1 41 41 TYR HB2 H 1 2.866 0.300 . 1 . . . . 41 TYR HB2 . 10334 1 409 . 1 1 41 41 TYR HB3 H 1 2.866 0.300 . 1 . . . . 41 TYR HB3 . 10334 1 410 . 1 1 41 41 TYR HD1 H 1 7.110 0.300 . 1 . . . . 41 TYR HD1 . 10334 1 411 . 1 1 41 41 TYR HD2 H 1 7.110 0.300 . 1 . . . . 41 TYR HD2 . 10334 1 412 . 1 1 41 41 TYR HE1 H 1 6.814 0.300 . 1 . . . . 41 TYR HE1 . 10334 1 413 . 1 1 41 41 TYR HE2 H 1 6.814 0.300 . 1 . . . . 41 TYR HE2 . 10334 1 414 . 1 1 41 41 TYR C C 13 175.036 0.300 . 1 . . . . 41 TYR C . 10334 1 415 . 1 1 41 41 TYR CA C 13 58.303 0.300 . 1 . . . . 41 TYR CA . 10334 1 416 . 1 1 41 41 TYR CB C 13 39.439 0.300 . 1 . . . . 41 TYR CB . 10334 1 417 . 1 1 41 41 TYR CD1 C 13 133.255 0.300 . 1 . . . . 41 TYR CD1 . 10334 1 418 . 1 1 41 41 TYR CD2 C 13 133.255 0.300 . 1 . . . . 41 TYR CD2 . 10334 1 419 . 1 1 41 41 TYR CE1 C 13 118.151 0.300 . 1 . . . . 41 TYR CE1 . 10334 1 420 . 1 1 41 41 TYR CE2 C 13 118.151 0.300 . 1 . . . . 41 TYR CE2 . 10334 1 421 . 1 1 41 41 TYR N N 15 122.424 0.300 . 1 . . . . 41 TYR N . 10334 1 422 . 1 1 42 42 GLY H H 1 7.657 0.300 . 1 . . . . 42 GLY H . 10334 1 423 . 1 1 42 42 GLY HA2 H 1 3.260 0.300 . 1 . . . . 42 GLY HA2 . 10334 1 424 . 1 1 42 42 GLY HA3 H 1 3.260 0.300 . 1 . . . . 42 GLY HA3 . 10334 1 425 . 1 1 42 42 GLY C C 13 171.526 0.300 . 1 . . . . 42 GLY C . 10334 1 426 . 1 1 42 42 GLY CA C 13 44.468 0.300 . 1 . . . . 42 GLY CA . 10334 1 427 . 1 1 42 42 GLY N N 15 111.878 0.300 . 1 . . . . 42 GLY N . 10334 1 428 . 1 1 43 43 GLY H H 1 7.913 0.300 . 1 . . . . 43 GLY H . 10334 1 429 . 1 1 43 43 GLY HA2 H 1 4.357 0.300 . 2 . . . . 43 GLY HA2 . 10334 1 430 . 1 1 43 43 GLY HA3 H 1 3.515 0.300 . 2 . . . . 43 GLY HA3 . 10334 1 431 . 1 1 43 43 GLY C C 13 173.470 0.300 . 1 . . . . 43 GLY C . 10334 1 432 . 1 1 43 43 GLY CA C 13 43.690 0.300 . 1 . . . . 43 GLY CA . 10334 1 433 . 1 1 43 43 GLY N N 15 106.173 0.300 . 1 . . . . 43 GLY N . 10334 1 434 . 1 1 44 44 ILE H H 1 8.539 0.300 . 1 . . . . 44 ILE H . 10334 1 435 . 1 1 44 44 ILE HA H 1 5.153 0.300 . 1 . . . . 44 ILE HA . 10334 1 436 . 1 1 44 44 ILE HB H 1 1.830 0.300 . 1 . . . . 44 ILE HB . 10334 1 437 . 1 1 44 44 ILE HD11 H 1 0.910 0.300 . 1 . . . . 44 ILE HD1 . 10334 1 438 . 1 1 44 44 ILE HD12 H 1 0.910 0.300 . 1 . . . . 44 ILE HD1 . 10334 1 439 . 1 1 44 44 ILE HD13 H 1 0.910 0.300 . 1 . . . . 44 ILE HD1 . 10334 1 440 . 1 1 44 44 ILE HG12 H 1 1.704 0.300 . 2 . . . . 44 ILE HG12 . 10334 1 441 . 1 1 44 44 ILE HG13 H 1 1.198 0.300 . 2 . . . . 44 ILE HG13 . 10334 1 442 . 1 1 44 44 ILE HG21 H 1 0.920 0.300 . 1 . . . . 44 ILE HG2 . 10334 1 443 . 1 1 44 44 ILE HG22 H 1 0.920 0.300 . 1 . . . . 44 ILE HG2 . 10334 1 444 . 1 1 44 44 ILE HG23 H 1 0.920 0.300 . 1 . . . . 44 ILE HG2 . 10334 1 445 . 1 1 44 44 ILE C C 13 176.276 0.300 . 1 . . . . 44 ILE C . 10334 1 446 . 1 1 44 44 ILE CA C 13 59.228 0.300 . 1 . . . . 44 ILE CA . 10334 1 447 . 1 1 44 44 ILE CB C 13 40.308 0.300 . 1 . . . . 44 ILE CB . 10334 1 448 . 1 1 44 44 ILE CD1 C 13 13.654 0.300 . 1 . . . . 44 ILE CD1 . 10334 1 449 . 1 1 44 44 ILE CG1 C 13 27.878 0.300 . 1 . . . . 44 ILE CG1 . 10334 1 450 . 1 1 44 44 ILE CG2 C 13 17.867 0.300 . 1 . . . . 44 ILE CG2 . 10334 1 451 . 1 1 44 44 ILE N N 15 121.667 0.300 . 1 . . . . 44 ILE N . 10334 1 452 . 1 1 45 45 SER H H 1 8.970 0.300 . 1 . . . . 45 SER H . 10334 1 453 . 1 1 45 45 SER HA H 1 4.798 0.300 . 1 . . . . 45 SER HA . 10334 1 454 . 1 1 45 45 SER HB2 H 1 3.645 0.300 . 1 . . . . 45 SER HB2 . 10334 1 455 . 1 1 45 45 SER HB3 H 1 3.645 0.300 . 1 . . . . 45 SER HB3 . 10334 1 456 . 1 1 45 45 SER C C 13 172.951 0.300 . 1 . . . . 45 SER C . 10334 1 457 . 1 1 45 45 SER CA C 13 56.963 0.300 . 1 . . . . 45 SER CA . 10334 1 458 . 1 1 45 45 SER CB C 13 65.012 0.300 . 1 . . . . 45 SER CB . 10334 1 459 . 1 1 45 45 SER N N 15 121.574 0.300 . 1 . . . . 45 SER N . 10334 1 460 . 1 1 46 46 LEU H H 1 8.692 0.300 . 1 . . . . 46 LEU H . 10334 1 461 . 1 1 46 46 LEU HA H 1 5.330 0.300 . 1 . . . . 46 LEU HA . 10334 1 462 . 1 1 46 46 LEU HB2 H 1 1.264 0.300 . 2 . . . . 46 LEU HB2 . 10334 1 463 . 1 1 46 46 LEU HB3 H 1 1.745 0.300 . 2 . . . . 46 LEU HB3 . 10334 1 464 . 1 1 46 46 LEU HD11 H 1 0.824 0.300 . 1 . . . . 46 LEU HD1 . 10334 1 465 . 1 1 46 46 LEU HD12 H 1 0.824 0.300 . 1 . . . . 46 LEU HD1 . 10334 1 466 . 1 1 46 46 LEU HD13 H 1 0.824 0.300 . 1 . . . . 46 LEU HD1 . 10334 1 467 . 1 1 46 46 LEU HD21 H 1 1.012 0.300 . 1 . . . . 46 LEU HD2 . 10334 1 468 . 1 1 46 46 LEU HD22 H 1 1.012 0.300 . 1 . . . . 46 LEU HD2 . 10334 1 469 . 1 1 46 46 LEU HD23 H 1 1.012 0.300 . 1 . . . . 46 LEU HD2 . 10334 1 470 . 1 1 46 46 LEU HG H 1 1.540 0.300 . 1 . . . . 46 LEU HG . 10334 1 471 . 1 1 46 46 LEU C C 13 176.056 0.300 . 1 . . . . 46 LEU C . 10334 1 472 . 1 1 46 46 LEU CA C 13 53.401 0.300 . 1 . . . . 46 LEU CA . 10334 1 473 . 1 1 46 46 LEU CB C 13 46.824 0.300 . 1 . . . . 46 LEU CB . 10334 1 474 . 1 1 46 46 LEU CD1 C 13 26.812 0.300 . 2 . . . . 46 LEU CD1 . 10334 1 475 . 1 1 46 46 LEU CD2 C 13 25.668 0.300 . 2 . . . . 46 LEU CD2 . 10334 1 476 . 1 1 46 46 LEU CG C 13 27.140 0.300 . 1 . . . . 46 LEU CG . 10334 1 477 . 1 1 46 46 LEU N N 15 126.721 0.300 . 1 . . . . 46 LEU N . 10334 1 478 . 1 1 47 47 ALA H H 1 8.462 0.300 . 1 . . . . 47 ALA H . 10334 1 479 . 1 1 47 47 ALA HA H 1 4.547 0.300 . 1 . . . . 47 ALA HA . 10334 1 480 . 1 1 47 47 ALA HB1 H 1 1.385 0.300 . 1 . . . . 47 ALA HB . 10334 1 481 . 1 1 47 47 ALA HB2 H 1 1.385 0.300 . 1 . . . . 47 ALA HB . 10334 1 482 . 1 1 47 47 ALA HB3 H 1 1.385 0.300 . 1 . . . . 47 ALA HB . 10334 1 483 . 1 1 47 47 ALA C C 13 175.013 0.300 . 1 . . . . 47 ALA C . 10334 1 484 . 1 1 47 47 ALA CA C 13 52.216 0.300 . 1 . . . . 47 ALA CA . 10334 1 485 . 1 1 47 47 ALA CB C 13 22.431 0.300 . 1 . . . . 47 ALA CB . 10334 1 486 . 1 1 47 47 ALA N N 15 122.986 0.300 . 1 . . . . 47 ALA N . 10334 1 487 . 1 1 48 48 VAL H H 1 8.589 0.300 . 1 . . . . 48 VAL H . 10334 1 488 . 1 1 48 48 VAL HA H 1 4.812 0.300 . 1 . . . . 48 VAL HA . 10334 1 489 . 1 1 48 48 VAL HB H 1 1.706 0.300 . 1 . . . . 48 VAL HB . 10334 1 490 . 1 1 48 48 VAL HG11 H 1 0.539 0.300 . 1 . . . . 48 VAL HG1 . 10334 1 491 . 1 1 48 48 VAL HG12 H 1 0.539 0.300 . 1 . . . . 48 VAL HG1 . 10334 1 492 . 1 1 48 48 VAL HG13 H 1 0.539 0.300 . 1 . . . . 48 VAL HG1 . 10334 1 493 . 1 1 48 48 VAL HG21 H 1 0.472 0.300 . 1 . . . . 48 VAL HG2 . 10334 1 494 . 1 1 48 48 VAL HG22 H 1 0.472 0.300 . 1 . . . . 48 VAL HG2 . 10334 1 495 . 1 1 48 48 VAL HG23 H 1 0.472 0.300 . 1 . . . . 48 VAL HG2 . 10334 1 496 . 1 1 48 48 VAL C C 13 174.703 0.300 . 1 . . . . 48 VAL C . 10334 1 497 . 1 1 48 48 VAL CA C 13 61.721 0.300 . 1 . . . . 48 VAL CA . 10334 1 498 . 1 1 48 48 VAL CB C 13 33.829 0.300 . 1 . . . . 48 VAL CB . 10334 1 499 . 1 1 48 48 VAL CG1 C 13 21.642 0.300 . 2 . . . . 48 VAL CG1 . 10334 1 500 . 1 1 48 48 VAL CG2 C 13 20.281 0.300 . 2 . . . . 48 VAL CG2 . 10334 1 501 . 1 1 48 48 VAL N N 15 120.930 0.300 . 1 . . . . 48 VAL N . 10334 1 502 . 1 1 49 49 GLU H H 1 8.896 0.300 . 1 . . . . 49 GLU H . 10334 1 503 . 1 1 49 49 GLU HA H 1 4.891 0.300 . 1 . . . . 49 GLU HA . 10334 1 504 . 1 1 49 49 GLU HB2 H 1 1.902 0.300 . 2 . . . . 49 GLU HB2 . 10334 1 505 . 1 1 49 49 GLU HB3 H 1 2.047 0.300 . 2 . . . . 49 GLU HB3 . 10334 1 506 . 1 1 49 49 GLU HG2 H 1 2.190 0.300 . 1 . . . . 49 GLU HG2 . 10334 1 507 . 1 1 49 49 GLU HG3 H 1 2.190 0.300 . 1 . . . . 49 GLU HG3 . 10334 1 508 . 1 1 49 49 GLU C C 13 175.281 0.300 . 1 . . . . 49 GLU C . 10334 1 509 . 1 1 49 49 GLU CA C 13 54.283 0.300 . 1 . . . . 49 GLU CA . 10334 1 510 . 1 1 49 49 GLU CB C 13 33.084 0.300 . 1 . . . . 49 GLU CB . 10334 1 511 . 1 1 49 49 GLU CG C 13 36.263 0.300 . 1 . . . . 49 GLU CG . 10334 1 512 . 1 1 49 49 GLU N N 15 126.991 0.300 . 1 . . . . 49 GLU N . 10334 1 513 . 1 1 50 50 GLY H H 1 8.513 0.300 . 1 . . . . 50 GLY H . 10334 1 514 . 1 1 50 50 GLY HA2 H 1 3.616 0.300 . 2 . . . . 50 GLY HA2 . 10334 1 515 . 1 1 50 50 GLY HA3 H 1 3.899 0.300 . 2 . . . . 50 GLY HA3 . 10334 1 516 . 1 1 50 50 GLY C C 13 171.695 0.300 . 1 . . . . 50 GLY C . 10334 1 517 . 1 1 50 50 GLY CA C 13 45.651 0.300 . 1 . . . . 50 GLY CA . 10334 1 518 . 1 1 50 50 GLY N N 15 111.703 0.300 . 1 . . . . 50 GLY N . 10334 1 519 . 1 1 51 51 PRO HA H 1 4.307 0.300 . 1 . . . . 51 PRO HA . 10334 1 520 . 1 1 51 51 PRO HB2 H 1 1.865 0.300 . 2 . . . . 51 PRO HB2 . 10334 1 521 . 1 1 51 51 PRO HB3 H 1 2.188 0.300 . 2 . . . . 51 PRO HB3 . 10334 1 522 . 1 1 51 51 PRO HD2 H 1 2.917 0.300 . 2 . . . . 51 PRO HD2 . 10334 1 523 . 1 1 51 51 PRO HD3 H 1 1.679 0.300 . 2 . . . . 51 PRO HD3 . 10334 1 524 . 1 1 51 51 PRO HG2 H 1 1.721 0.300 . 2 . . . . 51 PRO HG2 . 10334 1 525 . 1 1 51 51 PRO HG3 H 1 1.457 0.300 . 2 . . . . 51 PRO HG3 . 10334 1 526 . 1 1 51 51 PRO C C 13 175.703 0.300 . 1 . . . . 51 PRO C . 10334 1 527 . 1 1 51 51 PRO CA C 13 63.914 0.300 . 1 . . . . 51 PRO CA . 10334 1 528 . 1 1 51 51 PRO CB C 13 32.225 0.300 . 1 . . . . 51 PRO CB . 10334 1 529 . 1 1 51 51 PRO CD C 13 49.406 0.300 . 1 . . . . 51 PRO CD . 10334 1 530 . 1 1 51 51 PRO CG C 13 26.585 0.300 . 1 . . . . 51 PRO CG . 10334 1 531 . 1 1 52 52 SER H H 1 7.031 0.300 . 1 . . . . 52 SER H . 10334 1 532 . 1 1 52 52 SER HA H 1 4.524 0.300 . 1 . . . . 52 SER HA . 10334 1 533 . 1 1 52 52 SER HB2 H 1 3.785 0.300 . 2 . . . . 52 SER HB2 . 10334 1 534 . 1 1 52 52 SER HB3 H 1 3.672 0.300 . 2 . . . . 52 SER HB3 . 10334 1 535 . 1 1 52 52 SER C C 13 172.910 0.300 . 1 . . . . 52 SER C . 10334 1 536 . 1 1 52 52 SER CA C 13 56.927 0.300 . 1 . . . . 52 SER CA . 10334 1 537 . 1 1 52 52 SER CB C 13 65.921 0.300 . 1 . . . . 52 SER CB . 10334 1 538 . 1 1 52 52 SER N N 15 110.153 0.300 . 1 . . . . 52 SER N . 10334 1 539 . 1 1 53 53 LYS H H 1 8.428 0.300 . 1 . . . . 53 LYS H . 10334 1 540 . 1 1 53 53 LYS HA H 1 4.446 0.300 . 1 . . . . 53 LYS HA . 10334 1 541 . 1 1 53 53 LYS HB2 H 1 1.846 0.300 . 1 . . . . 53 LYS HB2 . 10334 1 542 . 1 1 53 53 LYS HB3 H 1 1.846 0.300 . 1 . . . . 53 LYS HB3 . 10334 1 543 . 1 1 53 53 LYS HD2 H 1 1.732 0.300 . 1 . . . . 53 LYS HD2 . 10334 1 544 . 1 1 53 53 LYS HD3 H 1 1.732 0.300 . 1 . . . . 53 LYS HD3 . 10334 1 545 . 1 1 53 53 LYS HE2 H 1 3.042 0.300 . 1 . . . . 53 LYS HE2 . 10334 1 546 . 1 1 53 53 LYS HE3 H 1 3.042 0.300 . 1 . . . . 53 LYS HE3 . 10334 1 547 . 1 1 53 53 LYS HG2 H 1 1.514 0.300 . 2 . . . . 53 LYS HG2 . 10334 1 548 . 1 1 53 53 LYS HG3 H 1 1.426 0.300 . 2 . . . . 53 LYS HG3 . 10334 1 549 . 1 1 53 53 LYS C C 13 176.723 0.300 . 1 . . . . 53 LYS C . 10334 1 550 . 1 1 53 53 LYS CA C 13 56.559 0.300 . 1 . . . . 53 LYS CA . 10334 1 551 . 1 1 53 53 LYS CB C 13 32.481 0.300 . 1 . . . . 53 LYS CB . 10334 1 552 . 1 1 53 53 LYS CD C 13 29.197 0.300 . 1 . . . . 53 LYS CD . 10334 1 553 . 1 1 53 53 LYS CE C 13 42.150 0.300 . 1 . . . . 53 LYS CE . 10334 1 554 . 1 1 53 53 LYS CG C 13 24.713 0.300 . 1 . . . . 53 LYS CG . 10334 1 555 . 1 1 53 53 LYS N N 15 122.930 0.300 . 1 . . . . 53 LYS N . 10334 1 556 . 1 1 54 54 VAL H H 1 8.522 0.300 . 1 . . . . 54 VAL H . 10334 1 557 . 1 1 54 54 VAL HA H 1 4.576 0.300 . 1 . . . . 54 VAL HA . 10334 1 558 . 1 1 54 54 VAL HB H 1 2.019 0.300 . 1 . . . . 54 VAL HB . 10334 1 559 . 1 1 54 54 VAL HG11 H 1 0.864 0.300 . 1 . . . . 54 VAL HG1 . 10334 1 560 . 1 1 54 54 VAL HG12 H 1 0.864 0.300 . 1 . . . . 54 VAL HG1 . 10334 1 561 . 1 1 54 54 VAL HG13 H 1 0.864 0.300 . 1 . . . . 54 VAL HG1 . 10334 1 562 . 1 1 54 54 VAL HG21 H 1 0.802 0.300 . 1 . . . . 54 VAL HG2 . 10334 1 563 . 1 1 54 54 VAL HG22 H 1 0.802 0.300 . 1 . . . . 54 VAL HG2 . 10334 1 564 . 1 1 54 54 VAL HG23 H 1 0.802 0.300 . 1 . . . . 54 VAL HG2 . 10334 1 565 . 1 1 54 54 VAL C C 13 174.570 0.300 . 1 . . . . 54 VAL C . 10334 1 566 . 1 1 54 54 VAL CA C 13 60.061 0.300 . 1 . . . . 54 VAL CA . 10334 1 567 . 1 1 54 54 VAL CB C 13 34.125 0.300 . 1 . . . . 54 VAL CB . 10334 1 568 . 1 1 54 54 VAL CG1 C 13 22.378 0.300 . 2 . . . . 54 VAL CG1 . 10334 1 569 . 1 1 54 54 VAL CG2 C 13 20.463 0.300 . 2 . . . . 54 VAL CG2 . 10334 1 570 . 1 1 54 54 VAL N N 15 121.598 0.300 . 1 . . . . 54 VAL N . 10334 1 571 . 1 1 55 55 ASP H H 1 8.414 0.300 . 1 . . . . 55 ASP H . 10334 1 572 . 1 1 55 55 ASP HA H 1 4.795 0.300 . 1 . . . . 55 ASP HA . 10334 1 573 . 1 1 55 55 ASP HB2 H 1 2.579 0.300 . 2 . . . . 55 ASP HB2 . 10334 1 574 . 1 1 55 55 ASP HB3 H 1 2.686 0.300 . 2 . . . . 55 ASP HB3 . 10334 1 575 . 1 1 55 55 ASP C C 13 175.507 0.300 . 1 . . . . 55 ASP C . 10334 1 576 . 1 1 55 55 ASP CA C 13 54.155 0.300 . 1 . . . . 55 ASP CA . 10334 1 577 . 1 1 55 55 ASP CB C 13 41.669 0.300 . 1 . . . . 55 ASP CB . 10334 1 578 . 1 1 55 55 ASP N N 15 124.560 0.300 . 1 . . . . 55 ASP N . 10334 1 579 . 1 1 56 56 ILE H H 1 8.436 0.300 . 1 . . . . 56 ILE H . 10334 1 580 . 1 1 56 56 ILE HA H 1 4.609 0.300 . 1 . . . . 56 ILE HA . 10334 1 581 . 1 1 56 56 ILE HB H 1 1.643 0.300 . 1 . . . . 56 ILE HB . 10334 1 582 . 1 1 56 56 ILE HD11 H 1 0.746 0.300 . 1 . . . . 56 ILE HD1 . 10334 1 583 . 1 1 56 56 ILE HD12 H 1 0.746 0.300 . 1 . . . . 56 ILE HD1 . 10334 1 584 . 1 1 56 56 ILE HD13 H 1 0.746 0.300 . 1 . . . . 56 ILE HD1 . 10334 1 585 . 1 1 56 56 ILE HG12 H 1 0.751 0.300 . 2 . . . . 56 ILE HG12 . 10334 1 586 . 1 1 56 56 ILE HG13 H 1 1.635 0.300 . 2 . . . . 56 ILE HG13 . 10334 1 587 . 1 1 56 56 ILE HG21 H 1 0.747 0.300 . 1 . . . . 56 ILE HG2 . 10334 1 588 . 1 1 56 56 ILE HG22 H 1 0.747 0.300 . 1 . . . . 56 ILE HG2 . 10334 1 589 . 1 1 56 56 ILE HG23 H 1 0.747 0.300 . 1 . . . . 56 ILE HG2 . 10334 1 590 . 1 1 56 56 ILE C C 13 175.532 0.300 . 1 . . . . 56 ILE C . 10334 1 591 . 1 1 56 56 ILE CA C 13 60.929 0.300 . 1 . . . . 56 ILE CA . 10334 1 592 . 1 1 56 56 ILE CB C 13 40.233 0.300 . 1 . . . . 56 ILE CB . 10334 1 593 . 1 1 56 56 ILE CD1 C 13 14.170 0.300 . 1 . . . . 56 ILE CD1 . 10334 1 594 . 1 1 56 56 ILE CG1 C 13 27.928 0.300 . 1 . . . . 56 ILE CG1 . 10334 1 595 . 1 1 56 56 ILE CG2 C 13 17.904 0.300 . 1 . . . . 56 ILE CG2 . 10334 1 596 . 1 1 56 56 ILE N N 15 123.250 0.300 . 1 . . . . 56 ILE N . 10334 1 597 . 1 1 57 57 GLN H H 1 9.114 0.300 . 1 . . . . 57 GLN H . 10334 1 598 . 1 1 57 57 GLN HA H 1 4.792 0.300 . 1 . . . . 57 GLN HA . 10334 1 599 . 1 1 57 57 GLN HB2 H 1 2.074 0.300 . 2 . . . . 57 GLN HB2 . 10334 1 600 . 1 1 57 57 GLN HB3 H 1 1.914 0.300 . 2 . . . . 57 GLN HB3 . 10334 1 601 . 1 1 57 57 GLN HE21 H 1 7.408 0.300 . 2 . . . . 57 GLN HE21 . 10334 1 602 . 1 1 57 57 GLN HE22 H 1 6.656 0.300 . 2 . . . . 57 GLN HE22 . 10334 1 603 . 1 1 57 57 GLN HG2 H 1 2.258 0.300 . 1 . . . . 57 GLN HG2 . 10334 1 604 . 1 1 57 57 GLN HG3 H 1 2.258 0.300 . 1 . . . . 57 GLN HG3 . 10334 1 605 . 1 1 57 57 GLN C C 13 174.482 0.300 . 1 . . . . 57 GLN C . 10334 1 606 . 1 1 57 57 GLN CA C 13 54.194 0.300 . 1 . . . . 57 GLN CA . 10334 1 607 . 1 1 57 57 GLN CB C 13 31.755 0.300 . 1 . . . . 57 GLN CB . 10334 1 608 . 1 1 57 57 GLN CG C 13 33.676 0.300 . 1 . . . . 57 GLN CG . 10334 1 609 . 1 1 57 57 GLN N N 15 127.026 0.300 . 1 . . . . 57 GLN N . 10334 1 610 . 1 1 57 57 GLN NE2 N 15 111.693 0.300 . 1 . . . . 57 GLN NE2 . 10334 1 611 . 1 1 58 58 THR H H 1 8.338 0.300 . 1 . . . . 58 THR H . 10334 1 612 . 1 1 58 58 THR HA H 1 5.263 0.300 . 1 . . . . 58 THR HA . 10334 1 613 . 1 1 58 58 THR HB H 1 3.868 0.300 . 1 . . . . 58 THR HB . 10334 1 614 . 1 1 58 58 THR HG21 H 1 0.956 0.300 . 1 . . . . 58 THR HG2 . 10334 1 615 . 1 1 58 58 THR HG22 H 1 0.956 0.300 . 1 . . . . 58 THR HG2 . 10334 1 616 . 1 1 58 58 THR HG23 H 1 0.956 0.300 . 1 . . . . 58 THR HG2 . 10334 1 617 . 1 1 58 58 THR C C 13 173.858 0.300 . 1 . . . . 58 THR C . 10334 1 618 . 1 1 58 58 THR CA C 13 59.547 0.300 . 1 . . . . 58 THR CA . 10334 1 619 . 1 1 58 58 THR CB C 13 71.643 0.300 . 1 . . . . 58 THR CB . 10334 1 620 . 1 1 58 58 THR CG2 C 13 21.968 0.300 . 1 . . . . 58 THR CG2 . 10334 1 621 . 1 1 58 58 THR N N 15 111.333 0.300 . 1 . . . . 58 THR N . 10334 1 622 . 1 1 59 59 GLU H H 1 8.729 0.300 . 1 . . . . 59 GLU H . 10334 1 623 . 1 1 59 59 GLU HA H 1 4.514 0.300 . 1 . . . . 59 GLU HA . 10334 1 624 . 1 1 59 59 GLU HB2 H 1 1.911 0.300 . 2 . . . . 59 GLU HB2 . 10334 1 625 . 1 1 59 59 GLU HB3 H 1 1.840 0.300 . 2 . . . . 59 GLU HB3 . 10334 1 626 . 1 1 59 59 GLU HG2 H 1 2.012 0.300 . 2 . . . . 59 GLU HG2 . 10334 1 627 . 1 1 59 59 GLU HG3 H 1 2.143 0.300 . 2 . . . . 59 GLU HG3 . 10334 1 628 . 1 1 59 59 GLU C C 13 174.130 0.300 . 1 . . . . 59 GLU C . 10334 1 629 . 1 1 59 59 GLU CA C 13 54.979 0.300 . 1 . . . . 59 GLU CA . 10334 1 630 . 1 1 59 59 GLU CB C 13 33.643 0.300 . 1 . . . . 59 GLU CB . 10334 1 631 . 1 1 59 59 GLU CG C 13 36.064 0.300 . 1 . . . . 59 GLU CG . 10334 1 632 . 1 1 59 59 GLU N N 15 122.812 0.300 . 1 . . . . 59 GLU N . 10334 1 633 . 1 1 60 60 ASP H H 1 8.745 0.300 . 1 . . . . 60 ASP H . 10334 1 634 . 1 1 60 60 ASP HA H 1 4.842 0.300 . 1 . . . . 60 ASP HA . 10334 1 635 . 1 1 60 60 ASP HB2 H 1 2.541 0.300 . 2 . . . . 60 ASP HB2 . 10334 1 636 . 1 1 60 60 ASP HB3 H 1 2.741 0.300 . 2 . . . . 60 ASP HB3 . 10334 1 637 . 1 1 60 60 ASP C C 13 175.994 0.300 . 1 . . . . 60 ASP C . 10334 1 638 . 1 1 60 60 ASP CA C 13 54.954 0.300 . 1 . . . . 60 ASP CA . 10334 1 639 . 1 1 60 60 ASP CB C 13 40.682 0.300 . 1 . . . . 60 ASP CB . 10334 1 640 . 1 1 60 60 ASP N N 15 126.842 0.300 . 1 . . . . 60 ASP N . 10334 1 641 . 1 1 61 61 LEU H H 1 8.668 0.300 . 1 . . . . 61 LEU H . 10334 1 642 . 1 1 61 61 LEU HA H 1 4.599 0.300 . 1 . . . . 61 LEU HA . 10334 1 643 . 1 1 61 61 LEU HB2 H 1 1.453 0.300 . 2 . . . . 61 LEU HB2 . 10334 1 644 . 1 1 61 61 LEU HB3 H 1 2.002 0.300 . 2 . . . . 61 LEU HB3 . 10334 1 645 . 1 1 61 61 LEU HD11 H 1 0.849 0.300 . 1 . . . . 61 LEU HD1 . 10334 1 646 . 1 1 61 61 LEU HD12 H 1 0.849 0.300 . 1 . . . . 61 LEU HD1 . 10334 1 647 . 1 1 61 61 LEU HD13 H 1 0.849 0.300 . 1 . . . . 61 LEU HD1 . 10334 1 648 . 1 1 61 61 LEU HD21 H 1 0.733 0.300 . 1 . . . . 61 LEU HD2 . 10334 1 649 . 1 1 61 61 LEU HD22 H 1 0.733 0.300 . 1 . . . . 61 LEU HD2 . 10334 1 650 . 1 1 61 61 LEU HD23 H 1 0.733 0.300 . 1 . . . . 61 LEU HD2 . 10334 1 651 . 1 1 61 61 LEU HG H 1 1.612 0.300 . 1 . . . . 61 LEU HG . 10334 1 652 . 1 1 61 61 LEU C C 13 179.683 0.300 . 1 . . . . 61 LEU C . 10334 1 653 . 1 1 61 61 LEU CA C 13 54.146 0.300 . 1 . . . . 61 LEU CA . 10334 1 654 . 1 1 61 61 LEU CB C 13 42.055 0.300 . 1 . . . . 61 LEU CB . 10334 1 655 . 1 1 61 61 LEU CD1 C 13 25.481 0.300 . 2 . . . . 61 LEU CD1 . 10334 1 656 . 1 1 61 61 LEU CD2 C 13 22.280 0.300 . 2 . . . . 61 LEU CD2 . 10334 1 657 . 1 1 61 61 LEU CG C 13 27.074 0.300 . 1 . . . . 61 LEU CG . 10334 1 658 . 1 1 61 61 LEU N N 15 125.071 0.300 . 1 . . . . 61 LEU N . 10334 1 659 . 1 1 62 62 GLU H H 1 8.928 0.300 . 1 . . . . 62 GLU H . 10334 1 660 . 1 1 62 62 GLU HA H 1 4.046 0.300 . 1 . . . . 62 GLU HA . 10334 1 661 . 1 1 62 62 GLU HB2 H 1 2.078 0.300 . 1 . . . . 62 GLU HB2 . 10334 1 662 . 1 1 62 62 GLU HB3 H 1 2.078 0.300 . 1 . . . . 62 GLU HB3 . 10334 1 663 . 1 1 62 62 GLU HG2 H 1 2.314 0.300 . 1 . . . . 62 GLU HG2 . 10334 1 664 . 1 1 62 62 GLU HG3 H 1 2.314 0.300 . 1 . . . . 62 GLU HG3 . 10334 1 665 . 1 1 62 62 GLU C C 13 176.507 0.300 . 1 . . . . 62 GLU C . 10334 1 666 . 1 1 62 62 GLU CA C 13 58.854 0.300 . 1 . . . . 62 GLU CA . 10334 1 667 . 1 1 62 62 GLU CB C 13 29.330 0.300 . 1 . . . . 62 GLU CB . 10334 1 668 . 1 1 62 62 GLU CG C 13 36.256 0.300 . 1 . . . . 62 GLU CG . 10334 1 669 . 1 1 62 62 GLU N N 15 120.832 0.300 . 1 . . . . 62 GLU N . 10334 1 670 . 1 1 63 63 ASP H H 1 7.586 0.300 . 1 . . . . 63 ASP H . 10334 1 671 . 1 1 63 63 ASP HA H 1 4.461 0.300 . 1 . . . . 63 ASP HA . 10334 1 672 . 1 1 63 63 ASP HB2 H 1 2.581 0.300 . 2 . . . . 63 ASP HB2 . 10334 1 673 . 1 1 63 63 ASP HB3 H 1 3.045 0.300 . 2 . . . . 63 ASP HB3 . 10334 1 674 . 1 1 63 63 ASP C C 13 176.892 0.300 . 1 . . . . 63 ASP C . 10334 1 675 . 1 1 63 63 ASP CA C 13 53.298 0.300 . 1 . . . . 63 ASP CA . 10334 1 676 . 1 1 63 63 ASP CB C 13 39.915 0.300 . 1 . . . . 63 ASP CB . 10334 1 677 . 1 1 63 63 ASP N N 15 116.070 0.300 . 1 . . . . 63 ASP N . 10334 1 678 . 1 1 64 64 GLY H H 1 8.080 0.300 . 1 . . . . 64 GLY H . 10334 1 679 . 1 1 64 64 GLY HA2 H 1 3.857 0.300 . 2 . . . . 64 GLY HA2 . 10334 1 680 . 1 1 64 64 GLY HA3 H 1 4.344 0.300 . 2 . . . . 64 GLY HA3 . 10334 1 681 . 1 1 64 64 GLY C C 13 175.274 0.300 . 1 . . . . 64 GLY C . 10334 1 682 . 1 1 64 64 GLY CA C 13 45.433 0.300 . 1 . . . . 64 GLY CA . 10334 1 683 . 1 1 64 64 GLY N N 15 106.698 0.300 . 1 . . . . 64 GLY N . 10334 1 684 . 1 1 65 65 THR H H 1 7.916 0.300 . 1 . . . . 65 THR H . 10334 1 685 . 1 1 65 65 THR HA H 1 4.835 0.300 . 1 . . . . 65 THR HA . 10334 1 686 . 1 1 65 65 THR HB H 1 4.181 0.300 . 1 . . . . 65 THR HB . 10334 1 687 . 1 1 65 65 THR HG21 H 1 1.018 0.300 . 1 . . . . 65 THR HG2 . 10334 1 688 . 1 1 65 65 THR HG22 H 1 1.018 0.300 . 1 . . . . 65 THR HG2 . 10334 1 689 . 1 1 65 65 THR HG23 H 1 1.018 0.300 . 1 . . . . 65 THR HG2 . 10334 1 690 . 1 1 65 65 THR C C 13 172.265 0.300 . 1 . . . . 65 THR C . 10334 1 691 . 1 1 65 65 THR CA C 13 61.853 0.300 . 1 . . . . 65 THR CA . 10334 1 692 . 1 1 65 65 THR CB C 13 70.720 0.300 . 1 . . . . 65 THR CB . 10334 1 693 . 1 1 65 65 THR CG2 C 13 21.135 0.300 . 1 . . . . 65 THR CG2 . 10334 1 694 . 1 1 65 65 THR N N 15 111.872 0.300 . 1 . . . . 65 THR N . 10334 1 695 . 1 1 66 66 CYS H H 1 8.527 0.300 . 1 . . . . 66 CYS H . 10334 1 696 . 1 1 66 66 CYS HA H 1 5.247 0.300 . 1 . . . . 66 CYS HA . 10334 1 697 . 1 1 66 66 CYS HB2 H 1 2.721 0.300 . 2 . . . . 66 CYS HB2 . 10334 1 698 . 1 1 66 66 CYS HB3 H 1 2.960 0.300 . 2 . . . . 66 CYS HB3 . 10334 1 699 . 1 1 66 66 CYS C C 13 172.797 0.300 . 1 . . . . 66 CYS C . 10334 1 700 . 1 1 66 66 CYS CA C 13 56.923 0.300 . 1 . . . . 66 CYS CA . 10334 1 701 . 1 1 66 66 CYS CB C 13 29.678 0.300 . 1 . . . . 66 CYS CB . 10334 1 702 . 1 1 66 66 CYS N N 15 118.706 0.300 . 1 . . . . 66 CYS N . 10334 1 703 . 1 1 67 67 LYS H H 1 9.233 0.300 . 1 . . . . 67 LYS H . 10334 1 704 . 1 1 67 67 LYS HA H 1 4.841 0.300 . 1 . . . . 67 LYS HA . 10334 1 705 . 1 1 67 67 LYS HB2 H 1 1.797 0.300 . 2 . . . . 67 LYS HB2 . 10334 1 706 . 1 1 67 67 LYS HB3 H 1 1.498 0.300 . 2 . . . . 67 LYS HB3 . 10334 1 707 . 1 1 67 67 LYS HD2 H 1 1.555 0.300 . 1 . . . . 67 LYS HD2 . 10334 1 708 . 1 1 67 67 LYS HD3 H 1 1.555 0.300 . 1 . . . . 67 LYS HD3 . 10334 1 709 . 1 1 67 67 LYS HE2 H 1 2.708 0.300 . 1 . . . . 67 LYS HE2 . 10334 1 710 . 1 1 67 67 LYS HE3 H 1 2.708 0.300 . 1 . . . . 67 LYS HE3 . 10334 1 711 . 1 1 67 67 LYS HG2 H 1 1.233 0.300 . 2 . . . . 67 LYS HG2 . 10334 1 712 . 1 1 67 67 LYS HG3 H 1 1.084 0.300 . 2 . . . . 67 LYS HG3 . 10334 1 713 . 1 1 67 67 LYS C C 13 174.919 0.300 . 1 . . . . 67 LYS C . 10334 1 714 . 1 1 67 67 LYS CA C 13 55.181 0.300 . 1 . . . . 67 LYS CA . 10334 1 715 . 1 1 67 67 LYS CB C 13 34.712 0.300 . 1 . . . . 67 LYS CB . 10334 1 716 . 1 1 67 67 LYS CD C 13 29.631 0.300 . 1 . . . . 67 LYS CD . 10334 1 717 . 1 1 67 67 LYS CE C 13 41.885 0.300 . 1 . . . . 67 LYS CE . 10334 1 718 . 1 1 67 67 LYS CG C 13 24.927 0.300 . 1 . . . . 67 LYS CG . 10334 1 719 . 1 1 67 67 LYS N N 15 128.599 0.300 . 1 . . . . 67 LYS N . 10334 1 720 . 1 1 68 68 VAL H H 1 9.206 0.300 . 1 . . . . 68 VAL H . 10334 1 721 . 1 1 68 68 VAL HA H 1 4.402 0.300 . 1 . . . . 68 VAL HA . 10334 1 722 . 1 1 68 68 VAL HB H 1 0.077 0.300 . 1 . . . . 68 VAL HB . 10334 1 723 . 1 1 68 68 VAL HG11 H 1 0.498 0.300 . 1 . . . . 68 VAL HG1 . 10334 1 724 . 1 1 68 68 VAL HG12 H 1 0.498 0.300 . 1 . . . . 68 VAL HG1 . 10334 1 725 . 1 1 68 68 VAL HG13 H 1 0.498 0.300 . 1 . . . . 68 VAL HG1 . 10334 1 726 . 1 1 68 68 VAL HG21 H 1 0.487 0.300 . 1 . . . . 68 VAL HG2 . 10334 1 727 . 1 1 68 68 VAL HG22 H 1 0.487 0.300 . 1 . . . . 68 VAL HG2 . 10334 1 728 . 1 1 68 68 VAL HG23 H 1 0.487 0.300 . 1 . . . . 68 VAL HG2 . 10334 1 729 . 1 1 68 68 VAL C C 13 174.167 0.300 . 1 . . . . 68 VAL C . 10334 1 730 . 1 1 68 68 VAL CA C 13 60.861 0.300 . 1 . . . . 68 VAL CA . 10334 1 731 . 1 1 68 68 VAL CB C 13 31.942 0.300 . 1 . . . . 68 VAL CB . 10334 1 732 . 1 1 68 68 VAL CG1 C 13 23.000 0.300 . 2 . . . . 68 VAL CG1 . 10334 1 733 . 1 1 68 68 VAL CG2 C 13 22.038 0.300 . 2 . . . . 68 VAL CG2 . 10334 1 734 . 1 1 68 68 VAL N N 15 133.212 0.300 . 1 . . . . 68 VAL N . 10334 1 735 . 1 1 69 69 SER H H 1 8.809 0.300 . 1 . . . . 69 SER H . 10334 1 736 . 1 1 69 69 SER HA H 1 5.702 0.300 . 1 . . . . 69 SER HA . 10334 1 737 . 1 1 69 69 SER HB2 H 1 3.518 0.300 . 2 . . . . 69 SER HB2 . 10334 1 738 . 1 1 69 69 SER HB3 H 1 3.866 0.300 . 2 . . . . 69 SER HB3 . 10334 1 739 . 1 1 69 69 SER C C 13 172.641 0.300 . 1 . . . . 69 SER C . 10334 1 740 . 1 1 69 69 SER CA C 13 56.475 0.300 . 1 . . . . 69 SER CA . 10334 1 741 . 1 1 69 69 SER CB C 13 66.412 0.300 . 1 . . . . 69 SER CB . 10334 1 742 . 1 1 69 69 SER N N 15 118.789 0.300 . 1 . . . . 69 SER N . 10334 1 743 . 1 1 70 70 TYR H H 1 8.849 0.300 . 1 . . . . 70 TYR H . 10334 1 744 . 1 1 70 70 TYR HA H 1 5.240 0.300 . 1 . . . . 70 TYR HA . 10334 1 745 . 1 1 70 70 TYR HB2 H 1 2.827 0.300 . 2 . . . . 70 TYR HB2 . 10334 1 746 . 1 1 70 70 TYR HB3 H 1 2.654 0.300 . 2 . . . . 70 TYR HB3 . 10334 1 747 . 1 1 70 70 TYR HD1 H 1 6.463 0.300 . 1 . . . . 70 TYR HD1 . 10334 1 748 . 1 1 70 70 TYR HD2 H 1 6.463 0.300 . 1 . . . . 70 TYR HD2 . 10334 1 749 . 1 1 70 70 TYR HE1 H 1 6.202 0.300 . 1 . . . . 70 TYR HE1 . 10334 1 750 . 1 1 70 70 TYR HE2 H 1 6.202 0.300 . 1 . . . . 70 TYR HE2 . 10334 1 751 . 1 1 70 70 TYR C C 13 172.766 0.300 . 1 . . . . 70 TYR C . 10334 1 752 . 1 1 70 70 TYR CA C 13 56.507 0.300 . 1 . . . . 70 TYR CA . 10334 1 753 . 1 1 70 70 TYR CB C 13 40.720 0.300 . 1 . . . . 70 TYR CB . 10334 1 754 . 1 1 70 70 TYR CD1 C 13 132.733 0.300 . 1 . . . . 70 TYR CD1 . 10334 1 755 . 1 1 70 70 TYR CD2 C 13 132.733 0.300 . 1 . . . . 70 TYR CD2 . 10334 1 756 . 1 1 70 70 TYR CE1 C 13 116.223 0.300 . 1 . . . . 70 TYR CE1 . 10334 1 757 . 1 1 70 70 TYR CE2 C 13 116.223 0.300 . 1 . . . . 70 TYR CE2 . 10334 1 758 . 1 1 70 70 TYR N N 15 117.847 0.300 . 1 . . . . 70 TYR N . 10334 1 759 . 1 1 71 71 PHE H H 1 8.315 0.300 . 1 . . . . 71 PHE H . 10334 1 760 . 1 1 71 71 PHE HA H 1 5.211 0.300 . 1 . . . . 71 PHE HA . 10334 1 761 . 1 1 71 71 PHE HB2 H 1 2.915 0.300 . 2 . . . . 71 PHE HB2 . 10334 1 762 . 1 1 71 71 PHE HB3 H 1 3.233 0.300 . 2 . . . . 71 PHE HB3 . 10334 1 763 . 1 1 71 71 PHE HD1 H 1 7.056 0.300 . 1 . . . . 71 PHE HD1 . 10334 1 764 . 1 1 71 71 PHE HD2 H 1 7.056 0.300 . 1 . . . . 71 PHE HD2 . 10334 1 765 . 1 1 71 71 PHE HE1 H 1 7.114 0.300 . 1 . . . . 71 PHE HE1 . 10334 1 766 . 1 1 71 71 PHE HE2 H 1 7.114 0.300 . 1 . . . . 71 PHE HE2 . 10334 1 767 . 1 1 71 71 PHE HZ H 1 7.256 0.300 . 1 . . . . 71 PHE HZ . 10334 1 768 . 1 1 71 71 PHE C C 13 171.674 0.300 . 1 . . . . 71 PHE C . 10334 1 769 . 1 1 71 71 PHE CA C 13 54.952 0.300 . 1 . . . . 71 PHE CA . 10334 1 770 . 1 1 71 71 PHE CB C 13 41.025 0.300 . 1 . . . . 71 PHE CB . 10334 1 771 . 1 1 71 71 PHE CD1 C 13 132.488 0.300 . 1 . . . . 71 PHE CD1 . 10334 1 772 . 1 1 71 71 PHE CD2 C 13 132.488 0.300 . 1 . . . . 71 PHE CD2 . 10334 1 773 . 1 1 71 71 PHE CE1 C 13 130.623 0.300 . 1 . . . . 71 PHE CE1 . 10334 1 774 . 1 1 71 71 PHE CE2 C 13 130.623 0.300 . 1 . . . . 71 PHE CE2 . 10334 1 775 . 1 1 71 71 PHE CZ C 13 129.020 0.300 . 1 . . . . 71 PHE CZ . 10334 1 776 . 1 1 71 71 PHE N N 15 123.189 0.300 . 1 . . . . 71 PHE N . 10334 1 777 . 1 1 72 72 PRO HA H 1 4.590 0.300 . 1 . . . . 72 PRO HA . 10334 1 778 . 1 1 72 72 PRO HB2 H 1 1.391 0.300 . 1 . . . . 72 PRO HB2 . 10334 1 779 . 1 1 72 72 PRO HB3 H 1 1.391 0.300 . 1 . . . . 72 PRO HB3 . 10334 1 780 . 1 1 72 72 PRO HD2 H 1 4.024 0.300 . 2 . . . . 72 PRO HD2 . 10334 1 781 . 1 1 72 72 PRO HD3 H 1 3.539 0.300 . 2 . . . . 72 PRO HD3 . 10334 1 782 . 1 1 72 72 PRO HG2 H 1 1.897 0.300 . 2 . . . . 72 PRO HG2 . 10334 1 783 . 1 1 72 72 PRO HG3 H 1 1.522 0.300 . 2 . . . . 72 PRO HG3 . 10334 1 784 . 1 1 72 72 PRO C C 13 177.354 0.300 . 1 . . . . 72 PRO C . 10334 1 785 . 1 1 72 72 PRO CA C 13 61.964 0.300 . 1 . . . . 72 PRO CA . 10334 1 786 . 1 1 72 72 PRO CB C 13 32.495 0.300 . 1 . . . . 72 PRO CB . 10334 1 787 . 1 1 72 72 PRO CD C 13 49.924 0.300 . 1 . . . . 72 PRO CD . 10334 1 788 . 1 1 72 72 PRO CG C 13 26.896 0.300 . 1 . . . . 72 PRO CG . 10334 1 789 . 1 1 73 73 THR H H 1 8.477 0.300 . 1 . . . . 73 THR H . 10334 1 790 . 1 1 73 73 THR HA H 1 3.333 0.300 . 1 . . . . 73 THR HA . 10334 1 791 . 1 1 73 73 THR HB H 1 4.151 0.300 . 1 . . . . 73 THR HB . 10334 1 792 . 1 1 73 73 THR HG21 H 1 0.831 0.300 . 1 . . . . 73 THR HG2 . 10334 1 793 . 1 1 73 73 THR HG22 H 1 0.831 0.300 . 1 . . . . 73 THR HG2 . 10334 1 794 . 1 1 73 73 THR HG23 H 1 0.831 0.300 . 1 . . . . 73 THR HG2 . 10334 1 795 . 1 1 73 73 THR C C 13 172.814 0.300 . 1 . . . . 73 THR C . 10334 1 796 . 1 1 73 73 THR CA C 13 60.925 0.300 . 1 . . . . 73 THR CA . 10334 1 797 . 1 1 73 73 THR CB C 13 69.913 0.300 . 1 . . . . 73 THR CB . 10334 1 798 . 1 1 73 73 THR CG2 C 13 21.739 0.300 . 1 . . . . 73 THR CG2 . 10334 1 799 . 1 1 73 73 THR N N 15 108.629 0.300 . 1 . . . . 73 THR N . 10334 1 800 . 1 1 74 74 VAL H H 1 6.654 0.300 . 1 . . . . 74 VAL H . 10334 1 801 . 1 1 74 74 VAL HA H 1 4.570 0.300 . 1 . . . . 74 VAL HA . 10334 1 802 . 1 1 74 74 VAL HB H 1 1.609 0.300 . 1 . . . . 74 VAL HB . 10334 1 803 . 1 1 74 74 VAL HG11 H 1 1.095 0.300 . 1 . . . . 74 VAL HG1 . 10334 1 804 . 1 1 74 74 VAL HG12 H 1 1.095 0.300 . 1 . . . . 74 VAL HG1 . 10334 1 805 . 1 1 74 74 VAL HG13 H 1 1.095 0.300 . 1 . . . . 74 VAL HG1 . 10334 1 806 . 1 1 74 74 VAL HG21 H 1 0.988 0.300 . 1 . . . . 74 VAL HG2 . 10334 1 807 . 1 1 74 74 VAL HG22 H 1 0.988 0.300 . 1 . . . . 74 VAL HG2 . 10334 1 808 . 1 1 74 74 VAL HG23 H 1 0.988 0.300 . 1 . . . . 74 VAL HG2 . 10334 1 809 . 1 1 74 74 VAL C C 13 174.150 0.300 . 1 . . . . 74 VAL C . 10334 1 810 . 1 1 74 74 VAL CA C 13 58.651 0.300 . 1 . . . . 74 VAL CA . 10334 1 811 . 1 1 74 74 VAL CB C 13 36.595 0.300 . 1 . . . . 74 VAL CB . 10334 1 812 . 1 1 74 74 VAL CG1 C 13 20.236 0.300 . 2 . . . . 74 VAL CG1 . 10334 1 813 . 1 1 74 74 VAL CG2 C 13 21.807 0.300 . 2 . . . . 74 VAL CG2 . 10334 1 814 . 1 1 74 74 VAL N N 15 120.420 0.300 . 1 . . . . 74 VAL N . 10334 1 815 . 1 1 75 75 PRO HA H 1 4.175 0.300 . 1 . . . . 75 PRO HA . 10334 1 816 . 1 1 75 75 PRO HB2 H 1 2.051 0.300 . 2 . . . . 75 PRO HB2 . 10334 1 817 . 1 1 75 75 PRO HB3 H 1 2.096 0.300 . 2 . . . . 75 PRO HB3 . 10334 1 818 . 1 1 75 75 PRO HD2 H 1 3.860 0.300 . 2 . . . . 75 PRO HD2 . 10334 1 819 . 1 1 75 75 PRO HD3 H 1 3.639 0.300 . 2 . . . . 75 PRO HD3 . 10334 1 820 . 1 1 75 75 PRO HG2 H 1 2.048 0.300 . 2 . . . . 75 PRO HG2 . 10334 1 821 . 1 1 75 75 PRO HG3 H 1 1.969 0.300 . 2 . . . . 75 PRO HG3 . 10334 1 822 . 1 1 75 75 PRO C C 13 174.422 0.300 . 1 . . . . 75 PRO C . 10334 1 823 . 1 1 75 75 PRO CA C 13 63.018 0.300 . 1 . . . . 75 PRO CA . 10334 1 824 . 1 1 75 75 PRO CB C 13 32.662 0.300 . 1 . . . . 75 PRO CB . 10334 1 825 . 1 1 75 75 PRO CD C 13 51.167 0.300 . 1 . . . . 75 PRO CD . 10334 1 826 . 1 1 75 75 PRO CG C 13 26.849 0.300 . 1 . . . . 75 PRO CG . 10334 1 827 . 1 1 76 76 GLY H H 1 8.900 0.300 . 1 . . . . 76 GLY H . 10334 1 828 . 1 1 76 76 GLY HA2 H 1 4.391 0.300 . 2 . . . . 76 GLY HA2 . 10334 1 829 . 1 1 76 76 GLY HA3 H 1 3.804 0.300 . 2 . . . . 76 GLY HA3 . 10334 1 830 . 1 1 76 76 GLY C C 13 171.407 0.300 . 1 . . . . 76 GLY C . 10334 1 831 . 1 1 76 76 GLY CA C 13 44.515 0.300 . 1 . . . . 76 GLY CA . 10334 1 832 . 1 1 76 76 GLY N N 15 105.724 0.300 . 1 . . . . 76 GLY N . 10334 1 833 . 1 1 77 77 VAL H H 1 8.313 0.300 . 1 . . . . 77 VAL H . 10334 1 834 . 1 1 77 77 VAL HA H 1 4.743 0.300 . 1 . . . . 77 VAL HA . 10334 1 835 . 1 1 77 77 VAL HB H 1 1.789 0.300 . 1 . . . . 77 VAL HB . 10334 1 836 . 1 1 77 77 VAL HG11 H 1 0.818 0.300 . 1 . . . . 77 VAL HG1 . 10334 1 837 . 1 1 77 77 VAL HG12 H 1 0.818 0.300 . 1 . . . . 77 VAL HG1 . 10334 1 838 . 1 1 77 77 VAL HG13 H 1 0.818 0.300 . 1 . . . . 77 VAL HG1 . 10334 1 839 . 1 1 77 77 VAL HG21 H 1 0.907 0.300 . 1 . . . . 77 VAL HG2 . 10334 1 840 . 1 1 77 77 VAL HG22 H 1 0.907 0.300 . 1 . . . . 77 VAL HG2 . 10334 1 841 . 1 1 77 77 VAL HG23 H 1 0.907 0.300 . 1 . . . . 77 VAL HG2 . 10334 1 842 . 1 1 77 77 VAL C C 13 175.375 0.300 . 1 . . . . 77 VAL C . 10334 1 843 . 1 1 77 77 VAL CA C 13 62.199 0.300 . 1 . . . . 77 VAL CA . 10334 1 844 . 1 1 77 77 VAL CB C 13 32.493 0.300 . 1 . . . . 77 VAL CB . 10334 1 845 . 1 1 77 77 VAL CG1 C 13 22.068 0.300 . 2 . . . . 77 VAL CG1 . 10334 1 846 . 1 1 77 77 VAL CG2 C 13 21.651 0.300 . 2 . . . . 77 VAL CG2 . 10334 1 847 . 1 1 77 77 VAL N N 15 122.393 0.300 . 1 . . . . 77 VAL N . 10334 1 848 . 1 1 78 78 TYR H H 1 9.442 0.300 . 1 . . . . 78 TYR H . 10334 1 849 . 1 1 78 78 TYR HA H 1 5.092 0.300 . 1 . . . . 78 TYR HA . 10334 1 850 . 1 1 78 78 TYR HB2 H 1 2.399 0.300 . 2 . . . . 78 TYR HB2 . 10334 1 851 . 1 1 78 78 TYR HB3 H 1 2.633 0.300 . 2 . . . . 78 TYR HB3 . 10334 1 852 . 1 1 78 78 TYR HD1 H 1 6.929 0.300 . 1 . . . . 78 TYR HD1 . 10334 1 853 . 1 1 78 78 TYR HD2 H 1 6.929 0.300 . 1 . . . . 78 TYR HD2 . 10334 1 854 . 1 1 78 78 TYR HE1 H 1 6.730 0.300 . 1 . . . . 78 TYR HE1 . 10334 1 855 . 1 1 78 78 TYR HE2 H 1 6.730 0.300 . 1 . . . . 78 TYR HE2 . 10334 1 856 . 1 1 78 78 TYR C C 13 173.719 0.300 . 1 . . . . 78 TYR C . 10334 1 857 . 1 1 78 78 TYR CA C 13 55.732 0.300 . 1 . . . . 78 TYR CA . 10334 1 858 . 1 1 78 78 TYR CB C 13 40.420 0.300 . 1 . . . . 78 TYR CB . 10334 1 859 . 1 1 78 78 TYR CD1 C 13 133.835 0.300 . 1 . . . . 78 TYR CD1 . 10334 1 860 . 1 1 78 78 TYR CD2 C 13 133.835 0.300 . 1 . . . . 78 TYR CD2 . 10334 1 861 . 1 1 78 78 TYR CE1 C 13 116.369 0.300 . 1 . . . . 78 TYR CE1 . 10334 1 862 . 1 1 78 78 TYR CE2 C 13 116.369 0.300 . 1 . . . . 78 TYR CE2 . 10334 1 863 . 1 1 78 78 TYR N N 15 127.591 0.300 . 1 . . . . 78 TYR N . 10334 1 864 . 1 1 79 79 ILE H H 1 9.191 0.300 . 1 . . . . 79 ILE H . 10334 1 865 . 1 1 79 79 ILE HA H 1 5.185 0.300 . 1 . . . . 79 ILE HA . 10334 1 866 . 1 1 79 79 ILE HB H 1 1.880 0.300 . 1 . . . . 79 ILE HB . 10334 1 867 . 1 1 79 79 ILE HD11 H 1 0.712 0.300 . 1 . . . . 79 ILE HD1 . 10334 1 868 . 1 1 79 79 ILE HD12 H 1 0.712 0.300 . 1 . . . . 79 ILE HD1 . 10334 1 869 . 1 1 79 79 ILE HD13 H 1 0.712 0.300 . 1 . . . . 79 ILE HD1 . 10334 1 870 . 1 1 79 79 ILE HG12 H 1 1.378 0.300 . 2 . . . . 79 ILE HG12 . 10334 1 871 . 1 1 79 79 ILE HG13 H 1 1.276 0.300 . 2 . . . . 79 ILE HG13 . 10334 1 872 . 1 1 79 79 ILE HG21 H 1 0.768 0.300 . 1 . . . . 79 ILE HG2 . 10334 1 873 . 1 1 79 79 ILE HG22 H 1 0.768 0.300 . 1 . . . . 79 ILE HG2 . 10334 1 874 . 1 1 79 79 ILE HG23 H 1 0.768 0.300 . 1 . . . . 79 ILE HG2 . 10334 1 875 . 1 1 79 79 ILE C C 13 177.433 0.300 . 1 . . . . 79 ILE C . 10334 1 876 . 1 1 79 79 ILE CA C 13 58.484 0.300 . 1 . . . . 79 ILE CA . 10334 1 877 . 1 1 79 79 ILE CB C 13 38.302 0.300 . 1 . . . . 79 ILE CB . 10334 1 878 . 1 1 79 79 ILE CD1 C 13 11.643 0.300 . 1 . . . . 79 ILE CD1 . 10334 1 879 . 1 1 79 79 ILE CG1 C 13 26.784 0.300 . 1 . . . . 79 ILE CG1 . 10334 1 880 . 1 1 79 79 ILE CG2 C 13 18.481 0.300 . 1 . . . . 79 ILE CG2 . 10334 1 881 . 1 1 79 79 ILE N N 15 121.250 0.300 . 1 . . . . 79 ILE N . 10334 1 882 . 1 1 80 80 VAL H H 1 9.550 0.300 . 1 . . . . 80 VAL H . 10334 1 883 . 1 1 80 80 VAL HA H 1 4.749 0.300 . 1 . . . . 80 VAL HA . 10334 1 884 . 1 1 80 80 VAL HB H 1 1.946 0.300 . 1 . . . . 80 VAL HB . 10334 1 885 . 1 1 80 80 VAL HG11 H 1 0.602 0.300 . 1 . . . . 80 VAL HG1 . 10334 1 886 . 1 1 80 80 VAL HG12 H 1 0.602 0.300 . 1 . . . . 80 VAL HG1 . 10334 1 887 . 1 1 80 80 VAL HG13 H 1 0.602 0.300 . 1 . . . . 80 VAL HG1 . 10334 1 888 . 1 1 80 80 VAL HG21 H 1 0.719 0.300 . 1 . . . . 80 VAL HG2 . 10334 1 889 . 1 1 80 80 VAL HG22 H 1 0.719 0.300 . 1 . . . . 80 VAL HG2 . 10334 1 890 . 1 1 80 80 VAL HG23 H 1 0.719 0.300 . 1 . . . . 80 VAL HG2 . 10334 1 891 . 1 1 80 80 VAL C C 13 175.363 0.300 . 1 . . . . 80 VAL C . 10334 1 892 . 1 1 80 80 VAL CA C 13 61.449 0.300 . 1 . . . . 80 VAL CA . 10334 1 893 . 1 1 80 80 VAL CB C 13 33.725 0.300 . 1 . . . . 80 VAL CB . 10334 1 894 . 1 1 80 80 VAL CG1 C 13 20.642 0.300 . 2 . . . . 80 VAL CG1 . 10334 1 895 . 1 1 80 80 VAL CG2 C 13 20.880 0.300 . 2 . . . . 80 VAL CG2 . 10334 1 896 . 1 1 80 80 VAL N N 15 131.573 0.300 . 1 . . . . 80 VAL N . 10334 1 897 . 1 1 81 81 SER H H 1 9.425 0.300 . 1 . . . . 81 SER H . 10334 1 898 . 1 1 81 81 SER HA H 1 5.233 0.300 . 1 . . . . 81 SER HA . 10334 1 899 . 1 1 81 81 SER HB2 H 1 3.615 0.300 . 2 . . . . 81 SER HB2 . 10334 1 900 . 1 1 81 81 SER HB3 H 1 3.809 0.300 . 2 . . . . 81 SER HB3 . 10334 1 901 . 1 1 81 81 SER C C 13 174.484 0.300 . 1 . . . . 81 SER C . 10334 1 902 . 1 1 81 81 SER CA C 13 57.458 0.300 . 1 . . . . 81 SER CA . 10334 1 903 . 1 1 81 81 SER CB C 13 64.778 0.300 . 1 . . . . 81 SER CB . 10334 1 904 . 1 1 81 81 SER N N 15 123.425 0.300 . 1 . . . . 81 SER N . 10334 1 905 . 1 1 82 82 THR H H 1 9.739 0.300 . 1 . . . . 82 THR H . 10334 1 906 . 1 1 82 82 THR HA H 1 4.944 0.300 . 1 . . . . 82 THR HA . 10334 1 907 . 1 1 82 82 THR HB H 1 3.985 0.300 . 1 . . . . 82 THR HB . 10334 1 908 . 1 1 82 82 THR HG21 H 1 1.128 0.300 . 1 . . . . 82 THR HG2 . 10334 1 909 . 1 1 82 82 THR HG22 H 1 1.128 0.300 . 1 . . . . 82 THR HG2 . 10334 1 910 . 1 1 82 82 THR HG23 H 1 1.128 0.300 . 1 . . . . 82 THR HG2 . 10334 1 911 . 1 1 82 82 THR C C 13 172.903 0.300 . 1 . . . . 82 THR C . 10334 1 912 . 1 1 82 82 THR CA C 13 60.531 0.300 . 1 . . . . 82 THR CA . 10334 1 913 . 1 1 82 82 THR CB C 13 71.306 0.300 . 1 . . . . 82 THR CB . 10334 1 914 . 1 1 82 82 THR CG2 C 13 21.583 0.300 . 1 . . . . 82 THR CG2 . 10334 1 915 . 1 1 82 82 THR N N 15 120.179 0.300 . 1 . . . . 82 THR N . 10334 1 916 . 1 1 83 83 LYS H H 1 8.907 0.300 . 1 . . . . 83 LYS H . 10334 1 917 . 1 1 83 83 LYS HA H 1 5.081 0.300 . 1 . . . . 83 LYS HA . 10334 1 918 . 1 1 83 83 LYS HB2 H 1 1.047 0.300 . 2 . . . . 83 LYS HB2 . 10334 1 919 . 1 1 83 83 LYS HB3 H 1 1.539 0.300 . 2 . . . . 83 LYS HB3 . 10334 1 920 . 1 1 83 83 LYS HD2 H 1 0.910 0.300 . 2 . . . . 83 LYS HD2 . 10334 1 921 . 1 1 83 83 LYS HD3 H 1 1.124 0.300 . 2 . . . . 83 LYS HD3 . 10334 1 922 . 1 1 83 83 LYS HE2 H 1 2.139 0.300 . 2 . . . . 83 LYS HE2 . 10334 1 923 . 1 1 83 83 LYS HE3 H 1 1.955 0.300 . 2 . . . . 83 LYS HE3 . 10334 1 924 . 1 1 83 83 LYS HG2 H 1 0.117 0.300 . 2 . . . . 83 LYS HG2 . 10334 1 925 . 1 1 83 83 LYS HG3 H 1 0.902 0.300 . 2 . . . . 83 LYS HG3 . 10334 1 926 . 1 1 83 83 LYS C C 13 174.551 0.300 . 1 . . . . 83 LYS C . 10334 1 927 . 1 1 83 83 LYS CA C 13 54.051 0.300 . 1 . . . . 83 LYS CA . 10334 1 928 . 1 1 83 83 LYS CB C 13 35.892 0.300 . 1 . . . . 83 LYS CB . 10334 1 929 . 1 1 83 83 LYS CD C 13 29.388 0.300 . 1 . . . . 83 LYS CD . 10334 1 930 . 1 1 83 83 LYS CE C 13 41.272 0.300 . 1 . . . . 83 LYS CE . 10334 1 931 . 1 1 83 83 LYS CG C 13 24.473 0.300 . 1 . . . . 83 LYS CG . 10334 1 932 . 1 1 83 83 LYS N N 15 124.502 0.300 . 1 . . . . 83 LYS N . 10334 1 933 . 1 1 84 84 PHE H H 1 9.182 0.300 . 1 . . . . 84 PHE H . 10334 1 934 . 1 1 84 84 PHE HA H 1 5.036 0.300 . 1 . . . . 84 PHE HA . 10334 1 935 . 1 1 84 84 PHE HB2 H 1 2.455 0.300 . 2 . . . . 84 PHE HB2 . 10334 1 936 . 1 1 84 84 PHE HB3 H 1 2.703 0.300 . 2 . . . . 84 PHE HB3 . 10334 1 937 . 1 1 84 84 PHE HD1 H 1 6.774 0.300 . 1 . . . . 84 PHE HD1 . 10334 1 938 . 1 1 84 84 PHE HD2 H 1 6.774 0.300 . 1 . . . . 84 PHE HD2 . 10334 1 939 . 1 1 84 84 PHE HE1 H 1 7.024 0.300 . 1 . . . . 84 PHE HE1 . 10334 1 940 . 1 1 84 84 PHE HE2 H 1 7.024 0.300 . 1 . . . . 84 PHE HE2 . 10334 1 941 . 1 1 84 84 PHE HZ H 1 6.928 0.300 . 1 . . . . 84 PHE HZ . 10334 1 942 . 1 1 84 84 PHE C C 13 174.967 0.300 . 1 . . . . 84 PHE C . 10334 1 943 . 1 1 84 84 PHE CA C 13 56.303 0.300 . 1 . . . . 84 PHE CA . 10334 1 944 . 1 1 84 84 PHE CB C 13 42.596 0.300 . 1 . . . . 84 PHE CB . 10334 1 945 . 1 1 84 84 PHE CD1 C 13 130.625 0.300 . 1 . . . . 84 PHE CD1 . 10334 1 946 . 1 1 84 84 PHE CD2 C 13 130.625 0.300 . 1 . . . . 84 PHE CD2 . 10334 1 947 . 1 1 84 84 PHE CE1 C 13 131.715 0.300 . 1 . . . . 84 PHE CE1 . 10334 1 948 . 1 1 84 84 PHE CE2 C 13 131.715 0.300 . 1 . . . . 84 PHE CE2 . 10334 1 949 . 1 1 84 84 PHE CZ C 13 130.439 0.300 . 1 . . . . 84 PHE CZ . 10334 1 950 . 1 1 84 84 PHE N N 15 121.439 0.300 . 1 . . . . 84 PHE N . 10334 1 951 . 1 1 85 85 ALA H H 1 8.424 0.300 . 1 . . . . 85 ALA H . 10334 1 952 . 1 1 85 85 ALA HA H 1 3.796 0.300 . 1 . . . . 85 ALA HA . 10334 1 953 . 1 1 85 85 ALA HB1 H 1 1.102 0.300 . 1 . . . . 85 ALA HB . 10334 1 954 . 1 1 85 85 ALA HB2 H 1 1.102 0.300 . 1 . . . . 85 ALA HB . 10334 1 955 . 1 1 85 85 ALA HB3 H 1 1.102 0.300 . 1 . . . . 85 ALA HB . 10334 1 956 . 1 1 85 85 ALA C C 13 176.480 0.300 . 1 . . . . 85 ALA C . 10334 1 957 . 1 1 85 85 ALA CA C 13 53.237 0.300 . 1 . . . . 85 ALA CA . 10334 1 958 . 1 1 85 85 ALA CB C 13 16.679 0.300 . 1 . . . . 85 ALA CB . 10334 1 959 . 1 1 85 85 ALA N N 15 129.835 0.300 . 1 . . . . 85 ALA N . 10334 1 960 . 1 1 86 86 ASP H H 1 8.665 0.300 . 1 . . . . 86 ASP H . 10334 1 961 . 1 1 86 86 ASP HA H 1 3.933 0.300 . 1 . . . . 86 ASP HA . 10334 1 962 . 1 1 86 86 ASP HB2 H 1 2.892 0.300 . 2 . . . . 86 ASP HB2 . 10334 1 963 . 1 1 86 86 ASP HB3 H 1 2.749 0.300 . 2 . . . . 86 ASP HB3 . 10334 1 964 . 1 1 86 86 ASP C C 13 174.567 0.300 . 1 . . . . 86 ASP C . 10334 1 965 . 1 1 86 86 ASP CA C 13 56.220 0.300 . 1 . . . . 86 ASP CA . 10334 1 966 . 1 1 86 86 ASP CB C 13 40.376 0.300 . 1 . . . . 86 ASP CB . 10334 1 967 . 1 1 86 86 ASP N N 15 108.674 0.300 . 1 . . . . 86 ASP N . 10334 1 968 . 1 1 87 87 GLU H H 1 7.685 0.300 . 1 . . . . 87 GLU H . 10334 1 969 . 1 1 87 87 GLU HA H 1 4.714 0.300 . 1 . . . . 87 GLU HA . 10334 1 970 . 1 1 87 87 GLU HB2 H 1 2.087 0.300 . 2 . . . . 87 GLU HB2 . 10334 1 971 . 1 1 87 87 GLU HB3 H 1 1.937 0.300 . 2 . . . . 87 GLU HB3 . 10334 1 972 . 1 1 87 87 GLU HG2 H 1 2.269 0.300 . 2 . . . . 87 GLU HG2 . 10334 1 973 . 1 1 87 87 GLU HG3 H 1 2.414 0.300 . 2 . . . . 87 GLU HG3 . 10334 1 974 . 1 1 87 87 GLU C C 13 175.615 0.300 . 1 . . . . 87 GLU C . 10334 1 975 . 1 1 87 87 GLU CA C 13 54.342 0.300 . 1 . . . . 87 GLU CA . 10334 1 976 . 1 1 87 87 GLU CB C 13 32.879 0.300 . 1 . . . . 87 GLU CB . 10334 1 977 . 1 1 87 87 GLU CG C 13 35.988 0.300 . 1 . . . . 87 GLU CG . 10334 1 978 . 1 1 87 87 GLU N N 15 119.075 0.300 . 1 . . . . 87 GLU N . 10334 1 979 . 1 1 88 88 HIS H H 1 8.846 0.300 . 1 . . . . 88 HIS H . 10334 1 980 . 1 1 88 88 HIS HA H 1 4.351 0.300 . 1 . . . . 88 HIS HA . 10334 1 981 . 1 1 88 88 HIS HB2 H 1 3.116 0.300 . 2 . . . . 88 HIS HB2 . 10334 1 982 . 1 1 88 88 HIS HB3 H 1 2.858 0.300 . 2 . . . . 88 HIS HB3 . 10334 1 983 . 1 1 88 88 HIS HD2 H 1 7.134 0.300 . 1 . . . . 88 HIS HD2 . 10334 1 984 . 1 1 88 88 HIS HE1 H 1 7.518 0.300 . 1 . . . . 88 HIS HE1 . 10334 1 985 . 1 1 88 88 HIS C C 13 177.009 0.300 . 1 . . . . 88 HIS C . 10334 1 986 . 1 1 88 88 HIS CA C 13 59.143 0.300 . 1 . . . . 88 HIS CA . 10334 1 987 . 1 1 88 88 HIS CB C 13 31.898 0.300 . 1 . . . . 88 HIS CB . 10334 1 988 . 1 1 88 88 HIS CD2 C 13 118.106 0.300 . 1 . . . . 88 HIS CD2 . 10334 1 989 . 1 1 88 88 HIS CE1 C 13 137.240 0.300 . 1 . . . . 88 HIS CE1 . 10334 1 990 . 1 1 88 88 HIS N N 15 122.419 0.300 . 1 . . . . 88 HIS N . 10334 1 991 . 1 1 89 89 VAL H H 1 8.100 0.300 . 1 . . . . 89 VAL H . 10334 1 992 . 1 1 89 89 VAL HA H 1 4.410 0.300 . 1 . . . . 89 VAL HA . 10334 1 993 . 1 1 89 89 VAL HB H 1 2.379 0.300 . 1 . . . . 89 VAL HB . 10334 1 994 . 1 1 89 89 VAL HG11 H 1 1.022 0.300 . 1 . . . . 89 VAL HG1 . 10334 1 995 . 1 1 89 89 VAL HG12 H 1 1.022 0.300 . 1 . . . . 89 VAL HG1 . 10334 1 996 . 1 1 89 89 VAL HG13 H 1 1.022 0.300 . 1 . . . . 89 VAL HG1 . 10334 1 997 . 1 1 89 89 VAL HG21 H 1 1.040 0.300 . 1 . . . . 89 VAL HG2 . 10334 1 998 . 1 1 89 89 VAL HG22 H 1 1.040 0.300 . 1 . . . . 89 VAL HG2 . 10334 1 999 . 1 1 89 89 VAL HG23 H 1 1.040 0.300 . 1 . . . . 89 VAL HG2 . 10334 1 1000 . 1 1 89 89 VAL C C 13 173.227 0.300 . 1 . . . . 89 VAL C . 10334 1 1001 . 1 1 89 89 VAL CA C 13 60.150 0.300 . 1 . . . . 89 VAL CA . 10334 1 1002 . 1 1 89 89 VAL CB C 13 30.007 0.300 . 1 . . . . 89 VAL CB . 10334 1 1003 . 1 1 89 89 VAL CG1 C 13 21.921 0.300 . 2 . . . . 89 VAL CG1 . 10334 1 1004 . 1 1 89 89 VAL CG2 C 13 19.527 0.300 . 2 . . . . 89 VAL CG2 . 10334 1 1005 . 1 1 89 89 VAL N N 15 119.726 0.300 . 1 . . . . 89 VAL N . 10334 1 1006 . 1 1 90 90 PRO HA H 1 4.222 0.300 . 1 . . . . 90 PRO HA . 10334 1 1007 . 1 1 90 90 PRO HB2 H 1 2.004 0.300 . 2 . . . . 90 PRO HB2 . 10334 1 1008 . 1 1 90 90 PRO HB3 H 1 2.336 0.300 . 2 . . . . 90 PRO HB3 . 10334 1 1009 . 1 1 90 90 PRO HD2 H 1 4.206 0.300 . 2 . . . . 90 PRO HD2 . 10334 1 1010 . 1 1 90 90 PRO HD3 H 1 3.644 0.300 . 2 . . . . 90 PRO HD3 . 10334 1 1011 . 1 1 90 90 PRO HG2 H 1 2.347 0.300 . 2 . . . . 90 PRO HG2 . 10334 1 1012 . 1 1 90 90 PRO HG3 H 1 1.989 0.300 . 2 . . . . 90 PRO HG3 . 10334 1 1013 . 1 1 90 90 PRO C C 13 176.795 0.300 . 1 . . . . 90 PRO C . 10334 1 1014 . 1 1 90 90 PRO CA C 13 65.631 0.300 . 1 . . . . 90 PRO CA . 10334 1 1015 . 1 1 90 90 PRO CB C 13 31.375 0.300 . 1 . . . . 90 PRO CB . 10334 1 1016 . 1 1 90 90 PRO CD C 13 50.977 0.300 . 1 . . . . 90 PRO CD . 10334 1 1017 . 1 1 90 90 PRO CG C 13 28.454 0.300 . 1 . . . . 90 PRO CG . 10334 1 1018 . 1 1 91 91 GLY H H 1 8.254 0.300 . 1 . . . . 91 GLY H . 10334 1 1019 . 1 1 91 91 GLY HA2 H 1 3.146 0.300 . 2 . . . . 91 GLY HA2 . 10334 1 1020 . 1 1 91 91 GLY HA3 H 1 4.222 0.300 . 2 . . . . 91 GLY HA3 . 10334 1 1021 . 1 1 91 91 GLY C C 13 171.915 0.300 . 1 . . . . 91 GLY C . 10334 1 1022 . 1 1 91 91 GLY CA C 13 44.868 0.300 . 1 . . . . 91 GLY CA . 10334 1 1023 . 1 1 91 91 GLY N N 15 114.577 0.300 . 1 . . . . 91 GLY N . 10334 1 1024 . 1 1 92 92 SER H H 1 7.779 0.300 . 1 . . . . 92 SER H . 10334 1 1025 . 1 1 92 92 SER HA H 1 3.855 0.300 . 1 . . . . 92 SER HA . 10334 1 1026 . 1 1 92 92 SER HB2 H 1 3.839 0.300 . 2 . . . . 92 SER HB2 . 10334 1 1027 . 1 1 92 92 SER HB3 H 1 4.465 0.300 . 2 . . . . 92 SER HB3 . 10334 1 1028 . 1 1 92 92 SER C C 13 174.217 0.300 . 1 . . . . 92 SER C . 10334 1 1029 . 1 1 92 92 SER CA C 13 54.840 0.300 . 1 . . . . 92 SER CA . 10334 1 1030 . 1 1 92 92 SER CB C 13 62.646 0.300 . 1 . . . . 92 SER CB . 10334 1 1031 . 1 1 92 92 SER N N 15 113.024 0.300 . 1 . . . . 92 SER N . 10334 1 1032 . 1 1 93 93 PRO HA H 1 5.344 0.300 . 1 . . . . 93 PRO HA . 10334 1 1033 . 1 1 93 93 PRO HB2 H 1 1.725 0.300 . 2 . . . . 93 PRO HB2 . 10334 1 1034 . 1 1 93 93 PRO HB3 H 1 2.077 0.300 . 2 . . . . 93 PRO HB3 . 10334 1 1035 . 1 1 93 93 PRO HD2 H 1 3.158 0.300 . 2 . . . . 93 PRO HD2 . 10334 1 1036 . 1 1 93 93 PRO HD3 H 1 2.123 0.300 . 2 . . . . 93 PRO HD3 . 10334 1 1037 . 1 1 93 93 PRO HG2 H 1 1.678 0.300 . 1 . . . . 93 PRO HG2 . 10334 1 1038 . 1 1 93 93 PRO HG3 H 1 1.678 0.300 . 1 . . . . 93 PRO HG3 . 10334 1 1039 . 1 1 93 93 PRO C C 13 176.231 0.300 . 1 . . . . 93 PRO C . 10334 1 1040 . 1 1 93 93 PRO CA C 13 62.354 0.300 . 1 . . . . 93 PRO CA . 10334 1 1041 . 1 1 93 93 PRO CB C 13 34.074 0.300 . 1 . . . . 93 PRO CB . 10334 1 1042 . 1 1 93 93 PRO CD C 13 49.832 0.300 . 1 . . . . 93 PRO CD . 10334 1 1043 . 1 1 93 93 PRO CG C 13 24.362 0.300 . 1 . . . . 93 PRO CG . 10334 1 1044 . 1 1 94 94 PHE H H 1 9.595 0.300 . 1 . . . . 94 PHE H . 10334 1 1045 . 1 1 94 94 PHE HA H 1 4.581 0.300 . 1 . . . . 94 PHE HA . 10334 1 1046 . 1 1 94 94 PHE HB2 H 1 2.763 0.300 . 2 . . . . 94 PHE HB2 . 10334 1 1047 . 1 1 94 94 PHE HB3 H 1 3.203 0.300 . 2 . . . . 94 PHE HB3 . 10334 1 1048 . 1 1 94 94 PHE HD1 H 1 7.219 0.300 . 1 . . . . 94 PHE HD1 . 10334 1 1049 . 1 1 94 94 PHE HD2 H 1 7.219 0.300 . 1 . . . . 94 PHE HD2 . 10334 1 1050 . 1 1 94 94 PHE HE1 H 1 7.155 0.300 . 1 . . . . 94 PHE HE1 . 10334 1 1051 . 1 1 94 94 PHE HE2 H 1 7.155 0.300 . 1 . . . . 94 PHE HE2 . 10334 1 1052 . 1 1 94 94 PHE C C 13 175.742 0.300 . 1 . . . . 94 PHE C . 10334 1 1053 . 1 1 94 94 PHE CA C 13 57.455 0.300 . 1 . . . . 94 PHE CA . 10334 1 1054 . 1 1 94 94 PHE CB C 13 40.784 0.300 . 1 . . . . 94 PHE CB . 10334 1 1055 . 1 1 94 94 PHE CD1 C 13 132.958 0.300 . 1 . . . . 94 PHE CD1 . 10334 1 1056 . 1 1 94 94 PHE CD2 C 13 132.958 0.300 . 1 . . . . 94 PHE CD2 . 10334 1 1057 . 1 1 94 94 PHE CE1 C 13 130.662 0.300 . 1 . . . . 94 PHE CE1 . 10334 1 1058 . 1 1 94 94 PHE CE2 C 13 130.662 0.300 . 1 . . . . 94 PHE CE2 . 10334 1 1059 . 1 1 94 94 PHE N N 15 123.500 0.300 . 1 . . . . 94 PHE N . 10334 1 1060 . 1 1 95 95 THR H H 1 8.936 0.300 . 1 . . . . 95 THR H . 10334 1 1061 . 1 1 95 95 THR HA H 1 4.563 0.300 . 1 . . . . 95 THR HA . 10334 1 1062 . 1 1 95 95 THR HB H 1 4.054 0.300 . 1 . . . . 95 THR HB . 10334 1 1063 . 1 1 95 95 THR HG21 H 1 1.081 0.300 . 1 . . . . 95 THR HG2 . 10334 1 1064 . 1 1 95 95 THR HG22 H 1 1.081 0.300 . 1 . . . . 95 THR HG2 . 10334 1 1065 . 1 1 95 95 THR HG23 H 1 1.081 0.300 . 1 . . . . 95 THR HG2 . 10334 1 1066 . 1 1 95 95 THR C C 13 173.591 0.300 . 1 . . . . 95 THR C . 10334 1 1067 . 1 1 95 95 THR CA C 13 63.225 0.300 . 1 . . . . 95 THR CA . 10334 1 1068 . 1 1 95 95 THR CB C 13 69.106 0.300 . 1 . . . . 95 THR CB . 10334 1 1069 . 1 1 95 95 THR CG2 C 13 21.715 0.300 . 1 . . . . 95 THR CG2 . 10334 1 1070 . 1 1 95 95 THR N N 15 120.247 0.300 . 1 . . . . 95 THR N . 10334 1 1071 . 1 1 96 96 VAL H H 1 9.608 0.300 . 1 . . . . 96 VAL H . 10334 1 1072 . 1 1 96 96 VAL HA H 1 4.102 0.300 . 1 . . . . 96 VAL HA . 10334 1 1073 . 1 1 96 96 VAL HB H 1 1.919 0.300 . 1 . . . . 96 VAL HB . 10334 1 1074 . 1 1 96 96 VAL HG11 H 1 0.586 0.300 . 1 . . . . 96 VAL HG1 . 10334 1 1075 . 1 1 96 96 VAL HG12 H 1 0.586 0.300 . 1 . . . . 96 VAL HG1 . 10334 1 1076 . 1 1 96 96 VAL HG13 H 1 0.586 0.300 . 1 . . . . 96 VAL HG1 . 10334 1 1077 . 1 1 96 96 VAL HG21 H 1 0.683 0.300 . 1 . . . . 96 VAL HG2 . 10334 1 1078 . 1 1 96 96 VAL HG22 H 1 0.683 0.300 . 1 . . . . 96 VAL HG2 . 10334 1 1079 . 1 1 96 96 VAL HG23 H 1 0.683 0.300 . 1 . . . . 96 VAL HG2 . 10334 1 1080 . 1 1 96 96 VAL C C 13 174.868 0.300 . 1 . . . . 96 VAL C . 10334 1 1081 . 1 1 96 96 VAL CA C 13 61.621 0.300 . 1 . . . . 96 VAL CA . 10334 1 1082 . 1 1 96 96 VAL CB C 13 34.100 0.300 . 1 . . . . 96 VAL CB . 10334 1 1083 . 1 1 96 96 VAL CG1 C 13 19.998 0.300 . 2 . . . . 96 VAL CG1 . 10334 1 1084 . 1 1 96 96 VAL CG2 C 13 20.567 0.300 . 2 . . . . 96 VAL CG2 . 10334 1 1085 . 1 1 96 96 VAL N N 15 130.250 0.300 . 1 . . . . 96 VAL N . 10334 1 1086 . 1 1 97 97 LYS H H 1 7.730 0.300 . 1 . . . . 97 LYS H . 10334 1 1087 . 1 1 97 97 LYS HA H 1 4.700 0.300 . 1 . . . . 97 LYS HA . 10334 1 1088 . 1 1 97 97 LYS HB2 H 1 1.843 0.300 . 2 . . . . 97 LYS HB2 . 10334 1 1089 . 1 1 97 97 LYS HB3 H 1 1.882 0.300 . 2 . . . . 97 LYS HB3 . 10334 1 1090 . 1 1 97 97 LYS HD2 H 1 1.704 0.300 . 1 . . . . 97 LYS HD2 . 10334 1 1091 . 1 1 97 97 LYS HD3 H 1 1.704 0.300 . 1 . . . . 97 LYS HD3 . 10334 1 1092 . 1 1 97 97 LYS HE2 H 1 2.969 0.300 . 1 . . . . 97 LYS HE2 . 10334 1 1093 . 1 1 97 97 LYS HE3 H 1 2.969 0.300 . 1 . . . . 97 LYS HE3 . 10334 1 1094 . 1 1 97 97 LYS HG2 H 1 1.309 0.300 . 2 . . . . 97 LYS HG2 . 10334 1 1095 . 1 1 97 97 LYS HG3 H 1 1.463 0.300 . 2 . . . . 97 LYS HG3 . 10334 1 1096 . 1 1 97 97 LYS C C 13 175.403 0.300 . 1 . . . . 97 LYS C . 10334 1 1097 . 1 1 97 97 LYS CA C 13 55.724 0.300 . 1 . . . . 97 LYS CA . 10334 1 1098 . 1 1 97 97 LYS CB C 13 33.072 0.300 . 1 . . . . 97 LYS CB . 10334 1 1099 . 1 1 97 97 LYS CD C 13 29.195 0.300 . 1 . . . . 97 LYS CD . 10334 1 1100 . 1 1 97 97 LYS CE C 13 42.013 0.300 . 1 . . . . 97 LYS CE . 10334 1 1101 . 1 1 97 97 LYS CG C 13 25.189 0.300 . 1 . . . . 97 LYS CG . 10334 1 1102 . 1 1 97 97 LYS N N 15 126.276 0.300 . 1 . . . . 97 LYS N . 10334 1 1103 . 1 1 98 98 ILE H H 1 9.130 0.300 . 1 . . . . 98 ILE H . 10334 1 1104 . 1 1 98 98 ILE HA H 1 4.673 0.300 . 1 . . . . 98 ILE HA . 10334 1 1105 . 1 1 98 98 ILE HB H 1 2.371 0.300 . 1 . . . . 98 ILE HB . 10334 1 1106 . 1 1 98 98 ILE HD11 H 1 0.395 0.300 . 1 . . . . 98 ILE HD1 . 10334 1 1107 . 1 1 98 98 ILE HD12 H 1 0.395 0.300 . 1 . . . . 98 ILE HD1 . 10334 1 1108 . 1 1 98 98 ILE HD13 H 1 0.395 0.300 . 1 . . . . 98 ILE HD1 . 10334 1 1109 . 1 1 98 98 ILE HG12 H 1 1.377 0.300 . 2 . . . . 98 ILE HG12 . 10334 1 1110 . 1 1 98 98 ILE HG13 H 1 0.694 0.300 . 2 . . . . 98 ILE HG13 . 10334 1 1111 . 1 1 98 98 ILE HG21 H 1 0.494 0.300 . 1 . . . . 98 ILE HG2 . 10334 1 1112 . 1 1 98 98 ILE HG22 H 1 0.494 0.300 . 1 . . . . 98 ILE HG2 . 10334 1 1113 . 1 1 98 98 ILE HG23 H 1 0.494 0.300 . 1 . . . . 98 ILE HG2 . 10334 1 1114 . 1 1 98 98 ILE C C 13 176.730 0.300 . 1 . . . . 98 ILE C . 10334 1 1115 . 1 1 98 98 ILE CA C 13 57.005 0.300 . 1 . . . . 98 ILE CA . 10334 1 1116 . 1 1 98 98 ILE CB C 13 35.576 0.300 . 1 . . . . 98 ILE CB . 10334 1 1117 . 1 1 98 98 ILE CD1 C 13 8.762 0.300 . 1 . . . . 98 ILE CD1 . 10334 1 1118 . 1 1 98 98 ILE CG1 C 13 26.495 0.300 . 1 . . . . 98 ILE CG1 . 10334 1 1119 . 1 1 98 98 ILE CG2 C 13 17.424 0.300 . 1 . . . . 98 ILE CG2 . 10334 1 1120 . 1 1 98 98 ILE N N 15 128.588 0.300 . 1 . . . . 98 ILE N . 10334 1 1121 . 1 1 99 99 SER H H 1 8.714 0.300 . 1 . . . . 99 SER H . 10334 1 1122 . 1 1 99 99 SER HA H 1 4.832 0.300 . 1 . . . . 99 SER HA . 10334 1 1123 . 1 1 99 99 SER HB2 H 1 3.979 0.300 . 2 . . . . 99 SER HB2 . 10334 1 1124 . 1 1 99 99 SER HB3 H 1 3.935 0.300 . 2 . . . . 99 SER HB3 . 10334 1 1125 . 1 1 99 99 SER C C 13 173.266 0.300 . 1 . . . . 99 SER C . 10334 1 1126 . 1 1 99 99 SER CA C 13 57.535 0.300 . 1 . . . . 99 SER CA . 10334 1 1127 . 1 1 99 99 SER CB C 13 65.314 0.300 . 1 . . . . 99 SER CB . 10334 1 1128 . 1 1 99 99 SER N N 15 124.500 0.300 . 1 . . . . 99 SER N . 10334 1 1129 . 1 1 100 100 GLY H H 1 8.592 0.300 . 1 . . . . 100 GLY H . 10334 1 1130 . 1 1 100 100 GLY HA2 H 1 4.180 0.300 . 2 . . . . 100 GLY HA2 . 10334 1 1131 . 1 1 100 100 GLY HA3 H 1 4.249 0.300 . 2 . . . . 100 GLY HA3 . 10334 1 1132 . 1 1 100 100 GLY C C 13 173.653 0.300 . 1 . . . . 100 GLY C . 10334 1 1133 . 1 1 100 100 GLY CA C 13 44.633 0.300 . 1 . . . . 100 GLY CA . 10334 1 1134 . 1 1 100 100 GLY N N 15 108.772 0.300 . 1 . . . . 100 GLY N . 10334 1 1135 . 1 1 101 101 GLU H H 1 8.380 0.300 . 1 . . . . 101 GLU H . 10334 1 1136 . 1 1 101 101 GLU HA H 1 4.360 0.300 . 1 . . . . 101 GLU HA . 10334 1 1137 . 1 1 101 101 GLU HB2 H 1 2.104 0.300 . 2 . . . . 101 GLU HB2 . 10334 1 1138 . 1 1 101 101 GLU HB3 H 1 1.940 0.300 . 2 . . . . 101 GLU HB3 . 10334 1 1139 . 1 1 101 101 GLU HG2 H 1 2.291 0.300 . 1 . . . . 101 GLU HG2 . 10334 1 1140 . 1 1 101 101 GLU HG3 H 1 2.291 0.300 . 1 . . . . 101 GLU HG3 . 10334 1 1141 . 1 1 101 101 GLU C C 13 177.253 0.300 . 1 . . . . 101 GLU C . 10334 1 1142 . 1 1 101 101 GLU CA C 13 56.385 0.300 . 1 . . . . 101 GLU CA . 10334 1 1143 . 1 1 101 101 GLU CB C 13 30.904 0.300 . 1 . . . . 101 GLU CB . 10334 1 1144 . 1 1 101 101 GLU CG C 13 36.292 0.300 . 1 . . . . 101 GLU CG . 10334 1 1145 . 1 1 101 101 GLU N N 15 119.518 0.300 . 1 . . . . 101 GLU N . 10334 1 1146 . 1 1 102 102 GLY H H 1 8.592 0.300 . 1 . . . . 102 GLY H . 10334 1 1147 . 1 1 102 102 GLY HA2 H 1 3.974 0.300 . 2 . . . . 102 GLY HA2 . 10334 1 1148 . 1 1 102 102 GLY HA3 H 1 4.180 0.300 . 2 . . . . 102 GLY HA3 . 10334 1 1149 . 1 1 102 102 GLY C C 13 173.755 0.300 . 1 . . . . 102 GLY C . 10334 1 1150 . 1 1 102 102 GLY CA C 13 45.096 0.300 . 1 . . . . 102 GLY CA . 10334 1 1151 . 1 1 102 102 GLY N N 15 109.500 0.300 . 1 . . . . 102 GLY N . 10334 1 1152 . 1 1 103 103 ARG H H 1 8.282 0.300 . 1 . . . . 103 ARG H . 10334 1 1153 . 1 1 103 103 ARG HA H 1 4.364 0.300 . 1 . . . . 103 ARG HA . 10334 1 1154 . 1 1 103 103 ARG HB2 H 1 1.812 0.300 . 2 . . . . 103 ARG HB2 . 10334 1 1155 . 1 1 103 103 ARG HB3 H 1 1.717 0.300 . 2 . . . . 103 ARG HB3 . 10334 1 1156 . 1 1 103 103 ARG HD2 H 1 3.140 0.300 . 1 . . . . 103 ARG HD2 . 10334 1 1157 . 1 1 103 103 ARG HD3 H 1 3.140 0.300 . 1 . . . . 103 ARG HD3 . 10334 1 1158 . 1 1 103 103 ARG HG2 H 1 1.572 0.300 . 1 . . . . 103 ARG HG2 . 10334 1 1159 . 1 1 103 103 ARG HG3 H 1 1.572 0.300 . 1 . . . . 103 ARG HG3 . 10334 1 1160 . 1 1 103 103 ARG C C 13 176.184 0.300 . 1 . . . . 103 ARG C . 10334 1 1161 . 1 1 103 103 ARG CA C 13 55.985 0.300 . 1 . . . . 103 ARG CA . 10334 1 1162 . 1 1 103 103 ARG CB C 13 31.220 0.300 . 1 . . . . 103 ARG CB . 10334 1 1163 . 1 1 103 103 ARG CD C 13 43.307 0.300 . 1 . . . . 103 ARG CD . 10334 1 1164 . 1 1 103 103 ARG CG C 13 27.008 0.300 . 1 . . . . 103 ARG CG . 10334 1 1165 . 1 1 103 103 ARG N N 15 120.341 0.300 . 1 . . . . 103 ARG N . 10334 1 1166 . 1 1 104 104 VAL H H 1 8.242 0.300 . 1 . . . . 104 VAL H . 10334 1 1167 . 1 1 104 104 VAL HA H 1 4.046 0.300 . 1 . . . . 104 VAL HA . 10334 1 1168 . 1 1 104 104 VAL HB H 1 2.008 0.300 . 1 . . . . 104 VAL HB . 10334 1 1169 . 1 1 104 104 VAL HG11 H 1 0.905 0.300 . 1 . . . . 104 VAL HG1 . 10334 1 1170 . 1 1 104 104 VAL HG12 H 1 0.905 0.300 . 1 . . . . 104 VAL HG1 . 10334 1 1171 . 1 1 104 104 VAL HG13 H 1 0.905 0.300 . 1 . . . . 104 VAL HG1 . 10334 1 1172 . 1 1 104 104 VAL HG21 H 1 0.912 0.300 . 1 . . . . 104 VAL HG2 . 10334 1 1173 . 1 1 104 104 VAL HG22 H 1 0.912 0.300 . 1 . . . . 104 VAL HG2 . 10334 1 1174 . 1 1 104 104 VAL HG23 H 1 0.912 0.300 . 1 . . . . 104 VAL HG2 . 10334 1 1175 . 1 1 104 104 VAL C C 13 176.063 0.300 . 1 . . . . 104 VAL C . 10334 1 1176 . 1 1 104 104 VAL CA C 13 62.271 0.300 . 1 . . . . 104 VAL CA . 10334 1 1177 . 1 1 104 104 VAL CB C 13 32.775 0.300 . 1 . . . . 104 VAL CB . 10334 1 1178 . 1 1 104 104 VAL CG1 C 13 21.158 0.300 . 2 . . . . 104 VAL CG1 . 10334 1 1179 . 1 1 104 104 VAL CG2 C 13 20.622 0.300 . 2 . . . . 104 VAL CG2 . 10334 1 1180 . 1 1 104 104 VAL N N 15 121.838 0.300 . 1 . . . . 104 VAL N . 10334 1 1181 . 1 1 105 105 LYS H H 1 8.460 0.300 . 1 . . . . 105 LYS H . 10334 1 1182 . 1 1 105 105 LYS HA H 1 4.337 0.300 . 1 . . . . 105 LYS HA . 10334 1 1183 . 1 1 105 105 LYS HB2 H 1 1.737 0.300 . 2 . . . . 105 LYS HB2 . 10334 1 1184 . 1 1 105 105 LYS HB3 H 1 1.832 0.300 . 2 . . . . 105 LYS HB3 . 10334 1 1185 . 1 1 105 105 LYS HD2 H 1 1.674 0.300 . 2 . . . . 105 LYS HD2 . 10334 1 1186 . 1 1 105 105 LYS HD3 H 1 1.735 0.300 . 2 . . . . 105 LYS HD3 . 10334 1 1187 . 1 1 105 105 LYS HE2 H 1 2.977 0.300 . 1 . . . . 105 LYS HE2 . 10334 1 1188 . 1 1 105 105 LYS HE3 H 1 2.977 0.300 . 1 . . . . 105 LYS HE3 . 10334 1 1189 . 1 1 105 105 LYS HG2 H 1 1.401 0.300 . 2 . . . . 105 LYS HG2 . 10334 1 1190 . 1 1 105 105 LYS HG3 H 1 1.446 0.300 . 2 . . . . 105 LYS HG3 . 10334 1 1191 . 1 1 105 105 LYS C C 13 176.331 0.300 . 1 . . . . 105 LYS C . 10334 1 1192 . 1 1 105 105 LYS CA C 13 56.292 0.300 . 1 . . . . 105 LYS CA . 10334 1 1193 . 1 1 105 105 LYS CB C 13 33.072 0.300 . 1 . . . . 105 LYS CB . 10334 1 1194 . 1 1 105 105 LYS CD C 13 29.172 0.300 . 1 . . . . 105 LYS CD . 10334 1 1195 . 1 1 105 105 LYS CE C 13 42.260 0.300 . 1 . . . . 105 LYS CE . 10334 1 1196 . 1 1 105 105 LYS CG C 13 24.713 0.300 . 1 . . . . 105 LYS CG . 10334 1 1197 . 1 1 105 105 LYS N N 15 125.988 0.300 . 1 . . . . 105 LYS N . 10334 1 1198 . 1 1 106 106 SER H H 1 8.366 0.300 . 1 . . . . 106 SER H . 10334 1 1199 . 1 1 106 106 SER C C 13 174.368 0.300 . 1 . . . . 106 SER C . 10334 1 1200 . 1 1 106 106 SER CA C 13 58.253 0.300 . 1 . . . . 106 SER CA . 10334 1 1201 . 1 1 106 106 SER CB C 13 64.292 0.300 . 1 . . . . 106 SER CB . 10334 1 1202 . 1 1 106 106 SER N N 15 117.876 0.300 . 1 . . . . 106 SER N . 10334 1 1203 . 1 1 107 107 GLY H H 1 8.299 0.300 . 1 . . . . 107 GLY H . 10334 1 1204 . 1 1 107 107 GLY HA2 H 1 4.152 0.300 . 1 . . . . 107 GLY HA2 . 10334 1 1205 . 1 1 107 107 GLY HA3 H 1 4.152 0.300 . 1 . . . . 107 GLY HA3 . 10334 1 1206 . 1 1 107 107 GLY CA C 13 44.657 0.300 . 1 . . . . 107 GLY CA . 10334 1 1207 . 1 1 107 107 GLY N N 15 110.764 0.300 . 1 . . . . 107 GLY N . 10334 1 1208 . 1 1 108 108 PRO HA H 1 4.473 0.300 . 1 . . . . 108 PRO HA . 10334 1 1209 . 1 1 108 108 PRO HB2 H 1 2.291 0.300 . 2 . . . . 108 PRO HB2 . 10334 1 1210 . 1 1 108 108 PRO HB3 H 1 1.977 0.300 . 2 . . . . 108 PRO HB3 . 10334 1 1211 . 1 1 108 108 PRO HD2 H 1 3.622 0.300 . 1 . . . . 108 PRO HD2 . 10334 1 1212 . 1 1 108 108 PRO HD3 H 1 3.622 0.300 . 1 . . . . 108 PRO HD3 . 10334 1 1213 . 1 1 108 108 PRO HG2 H 1 2.014 0.300 . 1 . . . . 108 PRO HG2 . 10334 1 1214 . 1 1 108 108 PRO HG3 H 1 2.014 0.300 . 1 . . . . 108 PRO HG3 . 10334 1 1215 . 1 1 108 108 PRO CA C 13 63.287 0.300 . 1 . . . . 108 PRO CA . 10334 1 1216 . 1 1 108 108 PRO CB C 13 32.215 0.300 . 1 . . . . 108 PRO CB . 10334 1 1217 . 1 1 108 108 PRO CD C 13 49.782 0.300 . 1 . . . . 108 PRO CD . 10334 1 1218 . 1 1 108 108 PRO CG C 13 27.136 0.300 . 1 . . . . 108 PRO CG . 10334 1 1219 . 1 1 110 110 SER HA H 1 4.489 0.300 . 1 . . . . 110 SER HA . 10334 1 1220 . 1 1 110 110 SER HB2 H 1 3.876 0.300 . 1 . . . . 110 SER HB2 . 10334 1 1221 . 1 1 110 110 SER HB3 H 1 3.876 0.300 . 1 . . . . 110 SER HB3 . 10334 1 1222 . 1 1 110 110 SER C C 13 173.926 0.300 . 1 . . . . 110 SER C . 10334 1 1223 . 1 1 110 110 SER CA C 13 58.381 0.300 . 1 . . . . 110 SER CA . 10334 1 1224 . 1 1 110 110 SER CB C 13 64.052 0.300 . 1 . . . . 110 SER CB . 10334 1 1225 . 1 1 111 111 GLY H H 1 8.048 0.300 . 1 . . . . 111 GLY H . 10334 1 1226 . 1 1 111 111 GLY HA2 H 1 3.794 0.300 . 2 . . . . 111 GLY HA2 . 10334 1 1227 . 1 1 111 111 GLY HA3 H 1 3.746 0.300 . 2 . . . . 111 GLY HA3 . 10334 1 1228 . 1 1 111 111 GLY C C 13 179.009 0.300 . 1 . . . . 111 GLY C . 10334 1 1229 . 1 1 111 111 GLY CA C 13 46.196 0.300 . 1 . . . . 111 GLY CA . 10334 1 1230 . 1 1 111 111 GLY N N 15 116.867 0.300 . 1 . . . . 111 GLY N . 10334 1 stop_ save_