data_10330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10330 _Entry.Title ; Solution structure of the 17th Filamin domain from human Filamin C ; _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 . . . 10330 2 T. Kigawa . . . 10330 3 S. Koshiba . . . 10330 4 M. Inoue . . . 10330 5 S. Yokoyama . . . 10330 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' 10330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 10330 '15N chemical shifts' 99 10330 '1H chemical shifts' 668 10330 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 . 10330 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D7O 'BMRB Entry Tracking System' 10330 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10330 _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 17th Filamin domain from human Filamin C' _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 . . . 10330 1 2 T. Kigawa . . . 10330 1 3 S. Koshiba . . . 10330 1 4 M. Inoue . . . 10330 1 5 S. Yokoyama . . . 10330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10330 _Assembly.ID 1 _Assembly.Name Filamin-C _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 . . . 10330 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 2D7O . . . . . . 10330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10330 _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 ; GSSGSSGAINSRHVSAYGPG LSHGMVNKPATFTIVTKDAG EGGLSLAVEGPSKAEITCKD NKDGTCTVSYLPTAPGDYSI IVRFDDKHIPGSPFTAKITG DDSMRSGPSSG ; _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2D7O . "Solution Structure Of The 17th Filamin Domain From Human Filamin C" . . . . . 100.00 111 100.00 100.00 3.55e-72 . . . . 10330 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10330 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 . 10330 1 2 . SER . 10330 1 3 . SER . 10330 1 4 . GLY . 10330 1 5 . SER . 10330 1 6 . SER . 10330 1 7 . GLY . 10330 1 8 . ALA . 10330 1 9 . ILE . 10330 1 10 . ASN . 10330 1 11 . SER . 10330 1 12 . ARG . 10330 1 13 . HIS . 10330 1 14 . VAL . 10330 1 15 . SER . 10330 1 16 . ALA . 10330 1 17 . TYR . 10330 1 18 . GLY . 10330 1 19 . PRO . 10330 1 20 . GLY . 10330 1 21 . LEU . 10330 1 22 . SER . 10330 1 23 . HIS . 10330 1 24 . GLY . 10330 1 25 . MET . 10330 1 26 . VAL . 10330 1 27 . ASN . 10330 1 28 . LYS . 10330 1 29 . PRO . 10330 1 30 . ALA . 10330 1 31 . THR . 10330 1 32 . PHE . 10330 1 33 . THR . 10330 1 34 . ILE . 10330 1 35 . VAL . 10330 1 36 . THR . 10330 1 37 . LYS . 10330 1 38 . ASP . 10330 1 39 . ALA . 10330 1 40 . GLY . 10330 1 41 . GLU . 10330 1 42 . GLY . 10330 1 43 . GLY . 10330 1 44 . LEU . 10330 1 45 . SER . 10330 1 46 . LEU . 10330 1 47 . ALA . 10330 1 48 . VAL . 10330 1 49 . GLU . 10330 1 50 . GLY . 10330 1 51 . PRO . 10330 1 52 . SER . 10330 1 53 . LYS . 10330 1 54 . ALA . 10330 1 55 . GLU . 10330 1 56 . ILE . 10330 1 57 . THR . 10330 1 58 . CYS . 10330 1 59 . LYS . 10330 1 60 . ASP . 10330 1 61 . ASN . 10330 1 62 . LYS . 10330 1 63 . ASP . 10330 1 64 . GLY . 10330 1 65 . THR . 10330 1 66 . CYS . 10330 1 67 . THR . 10330 1 68 . VAL . 10330 1 69 . SER . 10330 1 70 . TYR . 10330 1 71 . LEU . 10330 1 72 . PRO . 10330 1 73 . THR . 10330 1 74 . ALA . 10330 1 75 . PRO . 10330 1 76 . GLY . 10330 1 77 . ASP . 10330 1 78 . TYR . 10330 1 79 . SER . 10330 1 80 . ILE . 10330 1 81 . ILE . 10330 1 82 . VAL . 10330 1 83 . ARG . 10330 1 84 . PHE . 10330 1 85 . ASP . 10330 1 86 . ASP . 10330 1 87 . LYS . 10330 1 88 . HIS . 10330 1 89 . ILE . 10330 1 90 . PRO . 10330 1 91 . GLY . 10330 1 92 . SER . 10330 1 93 . PRO . 10330 1 94 . PHE . 10330 1 95 . THR . 10330 1 96 . ALA . 10330 1 97 . LYS . 10330 1 98 . ILE . 10330 1 99 . THR . 10330 1 100 . GLY . 10330 1 101 . ASP . 10330 1 102 . ASP . 10330 1 103 . SER . 10330 1 104 . MET . 10330 1 105 . ARG . 10330 1 106 . SER . 10330 1 107 . GLY . 10330 1 108 . PRO . 10330 1 109 . SER . 10330 1 110 . SER . 10330 1 111 . GLY . 10330 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 10330 1 . SER 2 2 10330 1 . SER 3 3 10330 1 . GLY 4 4 10330 1 . SER 5 5 10330 1 . SER 6 6 10330 1 . GLY 7 7 10330 1 . ALA 8 8 10330 1 . ILE 9 9 10330 1 . ASN 10 10 10330 1 . SER 11 11 10330 1 . ARG 12 12 10330 1 . HIS 13 13 10330 1 . VAL 14 14 10330 1 . SER 15 15 10330 1 . ALA 16 16 10330 1 . TYR 17 17 10330 1 . GLY 18 18 10330 1 . PRO 19 19 10330 1 . GLY 20 20 10330 1 . LEU 21 21 10330 1 . SER 22 22 10330 1 . HIS 23 23 10330 1 . GLY 24 24 10330 1 . MET 25 25 10330 1 . VAL 26 26 10330 1 . ASN 27 27 10330 1 . LYS 28 28 10330 1 . PRO 29 29 10330 1 . ALA 30 30 10330 1 . THR 31 31 10330 1 . PHE 32 32 10330 1 . THR 33 33 10330 1 . ILE 34 34 10330 1 . VAL 35 35 10330 1 . THR 36 36 10330 1 . LYS 37 37 10330 1 . ASP 38 38 10330 1 . ALA 39 39 10330 1 . GLY 40 40 10330 1 . GLU 41 41 10330 1 . GLY 42 42 10330 1 . GLY 43 43 10330 1 . LEU 44 44 10330 1 . SER 45 45 10330 1 . LEU 46 46 10330 1 . ALA 47 47 10330 1 . VAL 48 48 10330 1 . GLU 49 49 10330 1 . GLY 50 50 10330 1 . PRO 51 51 10330 1 . SER 52 52 10330 1 . LYS 53 53 10330 1 . ALA 54 54 10330 1 . GLU 55 55 10330 1 . ILE 56 56 10330 1 . THR 57 57 10330 1 . CYS 58 58 10330 1 . LYS 59 59 10330 1 . ASP 60 60 10330 1 . ASN 61 61 10330 1 . LYS 62 62 10330 1 . ASP 63 63 10330 1 . GLY 64 64 10330 1 . THR 65 65 10330 1 . CYS 66 66 10330 1 . THR 67 67 10330 1 . VAL 68 68 10330 1 . SER 69 69 10330 1 . TYR 70 70 10330 1 . LEU 71 71 10330 1 . PRO 72 72 10330 1 . THR 73 73 10330 1 . ALA 74 74 10330 1 . PRO 75 75 10330 1 . GLY 76 76 10330 1 . ASP 77 77 10330 1 . TYR 78 78 10330 1 . SER 79 79 10330 1 . ILE 80 80 10330 1 . ILE 81 81 10330 1 . VAL 82 82 10330 1 . ARG 83 83 10330 1 . PHE 84 84 10330 1 . ASP 85 85 10330 1 . ASP 86 86 10330 1 . LYS 87 87 10330 1 . HIS 88 88 10330 1 . ILE 89 89 10330 1 . PRO 90 90 10330 1 . GLY 91 91 10330 1 . SER 92 92 10330 1 . PRO 93 93 10330 1 . PHE 94 94 10330 1 . THR 95 95 10330 1 . ALA 96 96 10330 1 . LYS 97 97 10330 1 . ILE 98 98 10330 1 . THR 99 99 10330 1 . GLY 100 100 10330 1 . ASP 101 101 10330 1 . ASP 102 102 10330 1 . SER 103 103 10330 1 . MET 104 104 10330 1 . ARG 105 105 10330 1 . SER 106 106 10330 1 . GLY 107 107 10330 1 . PRO 108 108 10330 1 . SER 109 109 10330 1 . SER 110 110 10330 1 . GLY 111 111 10330 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 10330 _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 . . . . . . . . . . . . . . . . . . . . . 10330 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 10330 _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 . . P050404-10 . . . . . . 10330 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10330 _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 1.16 . . mM . . . . 10330 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10330 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10330 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10330 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10330 1 6 H2O . . . . . . solvent 90 . . % . . . . 10330 1 7 D2O . . . . . . solvent 10 . . % . . . . 10330 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 10330 _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 10330 1 pH 7.0 0.05 pH 10330 1 pressure 1 0.001 atm 10330 1 temperature 298 0.1 K 10330 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10330 _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 . . 10330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10330 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10330 _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.' . . 10330 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10330 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10330 _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.' . . 10330 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10330 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10330 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10330 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10330 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10330 _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.' . . 10330 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10330 5 'structure solution' 10330 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 10330 _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 10330 _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 . . . 10330 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 10330 _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 . . . . . . . . . . . . . . . . 10330 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10330 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 10330 _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 . . . . . . . . . 10330 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10330 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10330 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 10330 _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 10330 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10330 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 3.838 0.030 . 1 . . . . 1 GLY HA2 . 10330 1 2 . 1 1 1 1 GLY HA3 H 1 3.838 0.030 . 1 . . . . 1 GLY HA3 . 10330 1 3 . 1 1 1 1 GLY CA C 13 43.695 0.300 . 1 . . . . 1 GLY CA . 10330 1 4 . 1 1 4 4 GLY HA2 H 1 4.003 0.030 . 1 . . . . 4 GLY HA2 . 10330 1 5 . 1 1 4 4 GLY HA3 H 1 4.003 0.030 . 1 . . . . 4 GLY HA3 . 10330 1 6 . 1 1 4 4 GLY CA C 13 45.380 0.300 . 1 . . . . 4 GLY CA . 10330 1 7 . 1 1 7 7 GLY HA2 H 1 3.945 0.030 . 1 . . . . 7 GLY HA2 . 10330 1 8 . 1 1 7 7 GLY HA3 H 1 3.945 0.030 . 1 . . . . 7 GLY HA3 . 10330 1 9 . 1 1 7 7 GLY C C 13 173.875 0.300 . 1 . . . . 7 GLY C . 10330 1 10 . 1 1 7 7 GLY CA C 13 45.338 0.300 . 1 . . . . 7 GLY CA . 10330 1 11 . 1 1 8 8 ALA H H 1 8.115 0.030 . 1 . . . . 8 ALA H . 10330 1 12 . 1 1 8 8 ALA HA H 1 4.315 0.030 . 1 . . . . 8 ALA HA . 10330 1 13 . 1 1 8 8 ALA HB1 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 10330 1 14 . 1 1 8 8 ALA HB2 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 10330 1 15 . 1 1 8 8 ALA HB3 H 1 1.361 0.030 . 1 . . . . 8 ALA HB . 10330 1 16 . 1 1 8 8 ALA C C 13 177.952 0.300 . 1 . . . . 8 ALA C . 10330 1 17 . 1 1 8 8 ALA CA C 13 52.573 0.300 . 1 . . . . 8 ALA CA . 10330 1 18 . 1 1 8 8 ALA CB C 13 19.250 0.300 . 1 . . . . 8 ALA CB . 10330 1 19 . 1 1 8 8 ALA N N 15 123.836 0.300 . 1 . . . . 8 ALA N . 10330 1 20 . 1 1 9 9 ILE H H 1 8.139 0.030 . 1 . . . . 9 ILE H . 10330 1 21 . 1 1 9 9 ILE HA H 1 4.148 0.030 . 1 . . . . 9 ILE HA . 10330 1 22 . 1 1 9 9 ILE HB H 1 1.843 0.030 . 1 . . . . 9 ILE HB . 10330 1 23 . 1 1 9 9 ILE HD11 H 1 0.826 0.030 . 1 . . . . 9 ILE HD1 . 10330 1 24 . 1 1 9 9 ILE HD12 H 1 0.826 0.030 . 1 . . . . 9 ILE HD1 . 10330 1 25 . 1 1 9 9 ILE HD13 H 1 0.826 0.030 . 1 . . . . 9 ILE HD1 . 10330 1 26 . 1 1 9 9 ILE HG12 H 1 1.161 0.030 . 2 . . . . 9 ILE HG12 . 10330 1 27 . 1 1 9 9 ILE HG13 H 1 1.460 0.030 . 2 . . . . 9 ILE HG13 . 10330 1 28 . 1 1 9 9 ILE HG21 H 1 0.878 0.030 . 1 . . . . 9 ILE HG2 . 10330 1 29 . 1 1 9 9 ILE HG22 H 1 0.878 0.030 . 1 . . . . 9 ILE HG2 . 10330 1 30 . 1 1 9 9 ILE HG23 H 1 0.878 0.030 . 1 . . . . 9 ILE HG2 . 10330 1 31 . 1 1 9 9 ILE C C 13 176.310 0.300 . 1 . . . . 9 ILE C . 10330 1 32 . 1 1 9 9 ILE CA C 13 61.327 0.300 . 1 . . . . 9 ILE CA . 10330 1 33 . 1 1 9 9 ILE CB C 13 38.637 0.300 . 1 . . . . 9 ILE CB . 10330 1 34 . 1 1 9 9 ILE CD1 C 13 12.982 0.300 . 1 . . . . 9 ILE CD1 . 10330 1 35 . 1 1 9 9 ILE CG1 C 13 27.382 0.300 . 1 . . . . 9 ILE CG1 . 10330 1 36 . 1 1 9 9 ILE CG2 C 13 17.552 0.300 . 1 . . . . 9 ILE CG2 . 10330 1 37 . 1 1 9 9 ILE N N 15 119.944 0.300 . 1 . . . . 9 ILE N . 10330 1 38 . 1 1 10 10 ASN H H 1 8.554 0.030 . 1 . . . . 10 ASN H . 10330 1 39 . 1 1 10 10 ASN HA H 1 4.742 0.030 . 1 . . . . 10 ASN HA . 10330 1 40 . 1 1 10 10 ASN HB2 H 1 2.863 0.030 . 2 . . . . 10 ASN HB2 . 10330 1 41 . 1 1 10 10 ASN HB3 H 1 2.775 0.030 . 2 . . . . 10 ASN HB3 . 10330 1 42 . 1 1 10 10 ASN HD21 H 1 7.628 0.030 . 2 . . . . 10 ASN HD21 . 10330 1 43 . 1 1 10 10 ASN HD22 H 1 6.948 0.030 . 2 . . . . 10 ASN HD22 . 10330 1 44 . 1 1 10 10 ASN C C 13 175.424 0.300 . 1 . . . . 10 ASN C . 10330 1 45 . 1 1 10 10 ASN CA C 13 53.485 0.300 . 1 . . . . 10 ASN CA . 10330 1 46 . 1 1 10 10 ASN CB C 13 38.926 0.300 . 1 . . . . 10 ASN CB . 10330 1 47 . 1 1 10 10 ASN N N 15 122.513 0.300 . 1 . . . . 10 ASN N . 10330 1 48 . 1 1 10 10 ASN ND2 N 15 112.814 0.300 . 1 . . . . 10 ASN ND2 . 10330 1 49 . 1 1 11 11 SER H H 1 8.328 0.030 . 1 . . . . 11 SER H . 10330 1 50 . 1 1 11 11 SER HA H 1 4.296 0.030 . 1 . . . . 11 SER HA . 10330 1 51 . 1 1 11 11 SER HB2 H 1 3.910 0.030 . 1 . . . . 11 SER HB2 . 10330 1 52 . 1 1 11 11 SER HB3 H 1 3.910 0.030 . 1 . . . . 11 SER HB3 . 10330 1 53 . 1 1 11 11 SER C C 13 174.426 0.300 . 1 . . . . 11 SER C . 10330 1 54 . 1 1 11 11 SER CA C 13 59.187 0.300 . 1 . . . . 11 SER CA . 10330 1 55 . 1 1 11 11 SER CB C 13 63.557 0.300 . 1 . . . . 11 SER CB . 10330 1 56 . 1 1 11 11 SER N N 15 116.458 0.300 . 1 . . . . 11 SER N . 10330 1 57 . 1 1 12 12 ARG H H 1 8.107 0.030 . 1 . . . . 12 ARG H . 10330 1 58 . 1 1 12 12 ARG HA H 1 4.356 0.030 . 1 . . . . 12 ARG HA . 10330 1 59 . 1 1 12 12 ARG HB2 H 1 1.778 0.030 . 1 . . . . 12 ARG HB2 . 10330 1 60 . 1 1 12 12 ARG HB3 H 1 1.778 0.030 . 1 . . . . 12 ARG HB3 . 10330 1 61 . 1 1 12 12 ARG HD2 H 1 3.155 0.030 . 1 . . . . 12 ARG HD2 . 10330 1 62 . 1 1 12 12 ARG HD3 H 1 3.155 0.030 . 1 . . . . 12 ARG HD3 . 10330 1 63 . 1 1 12 12 ARG HG2 H 1 1.562 0.030 . 1 . . . . 12 ARG HG2 . 10330 1 64 . 1 1 12 12 ARG HG3 H 1 1.562 0.030 . 1 . . . . 12 ARG HG3 . 10330 1 65 . 1 1 12 12 ARG C C 13 175.760 0.300 . 1 . . . . 12 ARG C . 10330 1 66 . 1 1 12 12 ARG CA C 13 56.120 0.300 . 1 . . . . 12 ARG CA . 10330 1 67 . 1 1 12 12 ARG CB C 13 30.256 0.300 . 1 . . . . 12 ARG CB . 10330 1 68 . 1 1 12 12 ARG CD C 13 43.432 0.300 . 1 . . . . 12 ARG CD . 10330 1 69 . 1 1 12 12 ARG CG C 13 26.792 0.300 . 1 . . . . 12 ARG CG . 10330 1 70 . 1 1 12 12 ARG N N 15 121.224 0.300 . 1 . . . . 12 ARG N . 10330 1 71 . 1 1 13 13 HIS H H 1 7.945 0.030 . 1 . . . . 13 HIS H . 10330 1 72 . 1 1 13 13 HIS HA H 1 4.651 0.030 . 1 . . . . 13 HIS HA . 10330 1 73 . 1 1 13 13 HIS HB2 H 1 3.130 0.030 . 2 . . . . 13 HIS HB2 . 10330 1 74 . 1 1 13 13 HIS HB3 H 1 2.926 0.030 . 2 . . . . 13 HIS HB3 . 10330 1 75 . 1 1 13 13 HIS HD2 H 1 6.942 0.030 . 1 . . . . 13 HIS HD2 . 10330 1 76 . 1 1 13 13 HIS HE1 H 1 7.871 0.030 . 1 . . . . 13 HIS HE1 . 10330 1 77 . 1 1 13 13 HIS C C 13 174.167 0.300 . 1 . . . . 13 HIS C . 10330 1 78 . 1 1 13 13 HIS CA C 13 55.774 0.300 . 1 . . . . 13 HIS CA . 10330 1 79 . 1 1 13 13 HIS CB C 13 31.202 0.300 . 1 . . . . 13 HIS CB . 10330 1 80 . 1 1 13 13 HIS CD2 C 13 120.605 0.300 . 1 . . . . 13 HIS CD2 . 10330 1 81 . 1 1 13 13 HIS CE1 C 13 138.242 0.300 . 1 . . . . 13 HIS CE1 . 10330 1 82 . 1 1 13 13 HIS N N 15 118.914 0.300 . 1 . . . . 13 HIS N . 10330 1 83 . 1 1 14 14 VAL H H 1 7.805 0.030 . 1 . . . . 14 VAL H . 10330 1 84 . 1 1 14 14 VAL HA H 1 4.216 0.030 . 1 . . . . 14 VAL HA . 10330 1 85 . 1 1 14 14 VAL HB H 1 1.747 0.030 . 1 . . . . 14 VAL HB . 10330 1 86 . 1 1 14 14 VAL HG11 H 1 0.668 0.030 . 1 . . . . 14 VAL HG1 . 10330 1 87 . 1 1 14 14 VAL HG12 H 1 0.668 0.030 . 1 . . . . 14 VAL HG1 . 10330 1 88 . 1 1 14 14 VAL HG13 H 1 0.668 0.030 . 1 . . . . 14 VAL HG1 . 10330 1 89 . 1 1 14 14 VAL HG21 H 1 0.253 0.030 . 1 . . . . 14 VAL HG2 . 10330 1 90 . 1 1 14 14 VAL HG22 H 1 0.253 0.030 . 1 . . . . 14 VAL HG2 . 10330 1 91 . 1 1 14 14 VAL HG23 H 1 0.253 0.030 . 1 . . . . 14 VAL HG2 . 10330 1 92 . 1 1 14 14 VAL C C 13 174.505 0.300 . 1 . . . . 14 VAL C . 10330 1 93 . 1 1 14 14 VAL CA C 13 61.910 0.300 . 1 . . . . 14 VAL CA . 10330 1 94 . 1 1 14 14 VAL CB C 13 33.310 0.300 . 1 . . . . 14 VAL CB . 10330 1 95 . 1 1 14 14 VAL CG1 C 13 22.044 0.300 . 2 . . . . 14 VAL CG1 . 10330 1 96 . 1 1 14 14 VAL CG2 C 13 21.536 0.300 . 2 . . . . 14 VAL CG2 . 10330 1 97 . 1 1 14 14 VAL N N 15 121.630 0.300 . 1 . . . . 14 VAL N . 10330 1 98 . 1 1 15 15 SER H H 1 7.825 0.030 . 1 . . . . 15 SER H . 10330 1 99 . 1 1 15 15 SER HA H 1 5.016 0.030 . 1 . . . . 15 SER HA . 10330 1 100 . 1 1 15 15 SER HB2 H 1 3.882 0.030 . 1 . . . . 15 SER HB2 . 10330 1 101 . 1 1 15 15 SER HB3 H 1 3.882 0.030 . 1 . . . . 15 SER HB3 . 10330 1 102 . 1 1 15 15 SER C C 13 171.852 0.300 . 1 . . . . 15 SER C . 10330 1 103 . 1 1 15 15 SER CA C 13 56.905 0.300 . 1 . . . . 15 SER CA . 10330 1 104 . 1 1 15 15 SER CB C 13 66.252 0.300 . 1 . . . . 15 SER CB . 10330 1 105 . 1 1 15 15 SER N N 15 117.930 0.300 . 1 . . . . 15 SER N . 10330 1 106 . 1 1 16 16 ALA H H 1 8.472 0.030 . 1 . . . . 16 ALA H . 10330 1 107 . 1 1 16 16 ALA HA H 1 5.648 0.030 . 1 . . . . 16 ALA HA . 10330 1 108 . 1 1 16 16 ALA HB1 H 1 1.169 0.030 . 1 . . . . 16 ALA HB . 10330 1 109 . 1 1 16 16 ALA HB2 H 1 1.169 0.030 . 1 . . . . 16 ALA HB . 10330 1 110 . 1 1 16 16 ALA HB3 H 1 1.169 0.030 . 1 . . . . 16 ALA HB . 10330 1 111 . 1 1 16 16 ALA C C 13 175.508 0.300 . 1 . . . . 16 ALA C . 10330 1 112 . 1 1 16 16 ALA CA C 13 50.639 0.300 . 1 . . . . 16 ALA CA . 10330 1 113 . 1 1 16 16 ALA CB C 13 23.372 0.300 . 1 . . . . 16 ALA CB . 10330 1 114 . 1 1 16 16 ALA N N 15 122.038 0.300 . 1 . . . . 16 ALA N . 10330 1 115 . 1 1 17 17 TYR H H 1 8.788 0.030 . 1 . . . . 17 TYR H . 10330 1 116 . 1 1 17 17 TYR HA H 1 4.762 0.030 . 1 . . . . 17 TYR HA . 10330 1 117 . 1 1 17 17 TYR HB2 H 1 2.979 0.030 . 2 . . . . 17 TYR HB2 . 10330 1 118 . 1 1 17 17 TYR HB3 H 1 3.128 0.030 . 2 . . . . 17 TYR HB3 . 10330 1 119 . 1 1 17 17 TYR HD1 H 1 6.876 0.030 . 1 . . . . 17 TYR HD1 . 10330 1 120 . 1 1 17 17 TYR HD2 H 1 6.876 0.030 . 1 . . . . 17 TYR HD2 . 10330 1 121 . 1 1 17 17 TYR HE1 H 1 6.688 0.030 . 1 . . . . 17 TYR HE1 . 10330 1 122 . 1 1 17 17 TYR HE2 H 1 6.688 0.030 . 1 . . . . 17 TYR HE2 . 10330 1 123 . 1 1 17 17 TYR C C 13 173.068 0.300 . 1 . . . . 17 TYR C . 10330 1 124 . 1 1 17 17 TYR CA C 13 56.863 0.300 . 1 . . . . 17 TYR CA . 10330 1 125 . 1 1 17 17 TYR CB C 13 39.998 0.300 . 1 . . . . 17 TYR CB . 10330 1 126 . 1 1 17 17 TYR CD1 C 13 133.831 0.300 . 1 . . . . 17 TYR CD1 . 10330 1 127 . 1 1 17 17 TYR CD2 C 13 133.831 0.300 . 1 . . . . 17 TYR CD2 . 10330 1 128 . 1 1 17 17 TYR CE1 C 13 117.648 0.300 . 1 . . . . 17 TYR CE1 . 10330 1 129 . 1 1 17 17 TYR CE2 C 13 117.648 0.300 . 1 . . . . 17 TYR CE2 . 10330 1 130 . 1 1 17 17 TYR N N 15 116.586 0.300 . 1 . . . . 17 TYR N . 10330 1 131 . 1 1 18 18 GLY H H 1 8.769 0.030 . 1 . . . . 18 GLY H . 10330 1 132 . 1 1 18 18 GLY HA2 H 1 4.168 0.030 . 2 . . . . 18 GLY HA2 . 10330 1 133 . 1 1 18 18 GLY HA3 H 1 5.090 0.030 . 2 . . . . 18 GLY HA3 . 10330 1 134 . 1 1 18 18 GLY C C 13 173.871 0.300 . 1 . . . . 18 GLY C . 10330 1 135 . 1 1 18 18 GLY CA C 13 44.557 0.300 . 1 . . . . 18 GLY CA . 10330 1 136 . 1 1 18 18 GLY N N 15 109.060 0.300 . 1 . . . . 18 GLY N . 10330 1 137 . 1 1 19 19 PRO HA H 1 4.332 0.030 . 1 . . . . 19 PRO HA . 10330 1 138 . 1 1 19 19 PRO HB2 H 1 2.350 0.030 . 2 . . . . 19 PRO HB2 . 10330 1 139 . 1 1 19 19 PRO HB3 H 1 2.050 0.030 . 2 . . . . 19 PRO HB3 . 10330 1 140 . 1 1 19 19 PRO HD2 H 1 3.675 0.030 . 2 . . . . 19 PRO HD2 . 10330 1 141 . 1 1 19 19 PRO HD3 H 1 3.865 0.030 . 2 . . . . 19 PRO HD3 . 10330 1 142 . 1 1 19 19 PRO HG2 H 1 2.142 0.030 . 2 . . . . 19 PRO HG2 . 10330 1 143 . 1 1 19 19 PRO HG3 H 1 2.382 0.030 . 2 . . . . 19 PRO HG3 . 10330 1 144 . 1 1 19 19 PRO C C 13 178.204 0.300 . 1 . . . . 19 PRO C . 10330 1 145 . 1 1 19 19 PRO CA C 13 65.631 0.300 . 1 . . . . 19 PRO CA . 10330 1 146 . 1 1 19 19 PRO CB C 13 31.561 0.300 . 1 . . . . 19 PRO CB . 10330 1 147 . 1 1 19 19 PRO CD C 13 50.120 0.300 . 1 . . . . 19 PRO CD . 10330 1 148 . 1 1 19 19 PRO CG C 13 27.497 0.300 . 1 . . . . 19 PRO CG . 10330 1 149 . 1 1 20 20 GLY H H 1 8.833 0.030 . 1 . . . . 20 GLY H . 10330 1 150 . 1 1 20 20 GLY HA2 H 1 4.290 0.030 . 2 . . . . 20 GLY HA2 . 10330 1 151 . 1 1 20 20 GLY HA3 H 1 3.313 0.030 . 2 . . . . 20 GLY HA3 . 10330 1 152 . 1 1 20 20 GLY C C 13 172.776 0.300 . 1 . . . . 20 GLY C . 10330 1 153 . 1 1 20 20 GLY CA C 13 46.233 0.300 . 1 . . . . 20 GLY CA . 10330 1 154 . 1 1 20 20 GLY N N 15 102.659 0.300 . 1 . . . . 20 GLY N . 10330 1 155 . 1 1 21 21 LEU H H 1 6.944 0.030 . 1 . . . . 21 LEU H . 10330 1 156 . 1 1 21 21 LEU HA H 1 3.742 0.030 . 1 . . . . 21 LEU HA . 10330 1 157 . 1 1 21 21 LEU HB2 H 1 1.349 0.030 . 2 . . . . 21 LEU HB2 . 10330 1 158 . 1 1 21 21 LEU HB3 H 1 0.948 0.030 . 2 . . . . 21 LEU HB3 . 10330 1 159 . 1 1 21 21 LEU HD11 H 1 -0.099 0.030 . 1 . . . . 21 LEU HD1 . 10330 1 160 . 1 1 21 21 LEU HD12 H 1 -0.099 0.030 . 1 . . . . 21 LEU HD1 . 10330 1 161 . 1 1 21 21 LEU HD13 H 1 -0.099 0.030 . 1 . . . . 21 LEU HD1 . 10330 1 162 . 1 1 21 21 LEU HD21 H 1 -1.224 0.030 . 1 . . . . 21 LEU HD2 . 10330 1 163 . 1 1 21 21 LEU HD22 H 1 -1.224 0.030 . 1 . . . . 21 LEU HD2 . 10330 1 164 . 1 1 21 21 LEU HD23 H 1 -1.224 0.030 . 1 . . . . 21 LEU HD2 . 10330 1 165 . 1 1 21 21 LEU HG H 1 0.472 0.030 . 1 . . . . 21 LEU HG . 10330 1 166 . 1 1 21 21 LEU C C 13 175.991 0.300 . 1 . . . . 21 LEU C . 10330 1 167 . 1 1 21 21 LEU CA C 13 55.339 0.300 . 1 . . . . 21 LEU CA . 10330 1 168 . 1 1 21 21 LEU CB C 13 41.377 0.300 . 1 . . . . 21 LEU CB . 10330 1 169 . 1 1 21 21 LEU CD1 C 13 23.666 0.300 . 2 . . . . 21 LEU CD1 . 10330 1 170 . 1 1 21 21 LEU CD2 C 13 18.976 0.300 . 2 . . . . 21 LEU CD2 . 10330 1 171 . 1 1 21 21 LEU CG C 13 25.816 0.300 . 1 . . . . 21 LEU CG . 10330 1 172 . 1 1 21 21 LEU N N 15 115.729 0.300 . 1 . . . . 21 LEU N . 10330 1 173 . 1 1 22 22 SER H H 1 8.015 0.030 . 1 . . . . 22 SER H . 10330 1 174 . 1 1 22 22 SER HA H 1 5.136 0.030 . 1 . . . . 22 SER HA . 10330 1 175 . 1 1 22 22 SER HB2 H 1 4.036 0.030 . 2 . . . . 22 SER HB2 . 10330 1 176 . 1 1 22 22 SER HB3 H 1 3.841 0.030 . 2 . . . . 22 SER HB3 . 10330 1 177 . 1 1 22 22 SER C C 13 175.681 0.300 . 1 . . . . 22 SER C . 10330 1 178 . 1 1 22 22 SER CA C 13 59.286 0.300 . 1 . . . . 22 SER CA . 10330 1 179 . 1 1 22 22 SER CB C 13 66.677 0.300 . 1 . . . . 22 SER CB . 10330 1 180 . 1 1 22 22 SER N N 15 106.925 0.300 . 1 . . . . 22 SER N . 10330 1 181 . 1 1 23 23 HIS H H 1 8.799 0.030 . 1 . . . . 23 HIS H . 10330 1 182 . 1 1 23 23 HIS HA H 1 5.596 0.030 . 1 . . . . 23 HIS HA . 10330 1 183 . 1 1 23 23 HIS HB2 H 1 3.402 0.030 . 2 . . . . 23 HIS HB2 . 10330 1 184 . 1 1 23 23 HIS HB3 H 1 3.250 0.030 . 2 . . . . 23 HIS HB3 . 10330 1 185 . 1 1 23 23 HIS HD2 H 1 7.129 0.030 . 1 . . . . 23 HIS HD2 . 10330 1 186 . 1 1 23 23 HIS HE1 H 1 8.020 0.030 . 1 . . . . 23 HIS HE1 . 10330 1 187 . 1 1 23 23 HIS C C 13 172.125 0.300 . 1 . . . . 23 HIS C . 10330 1 188 . 1 1 23 23 HIS CA C 13 55.992 0.300 . 1 . . . . 23 HIS CA . 10330 1 189 . 1 1 23 23 HIS CB C 13 32.477 0.300 . 1 . . . . 23 HIS CB . 10330 1 190 . 1 1 23 23 HIS CD2 C 13 121.689 0.300 . 1 . . . . 23 HIS CD2 . 10330 1 191 . 1 1 23 23 HIS CE1 C 13 137.754 0.300 . 1 . . . . 23 HIS CE1 . 10330 1 192 . 1 1 23 23 HIS N N 15 122.401 0.300 . 1 . . . . 23 HIS N . 10330 1 193 . 1 1 24 24 GLY H H 1 7.633 0.030 . 1 . . . . 24 GLY H . 10330 1 194 . 1 1 24 24 GLY HA2 H 1 3.917 0.030 . 1 . . . . 24 GLY HA2 . 10330 1 195 . 1 1 24 24 GLY HA3 H 1 3.917 0.030 . 1 . . . . 24 GLY HA3 . 10330 1 196 . 1 1 24 24 GLY C C 13 170.903 0.300 . 1 . . . . 24 GLY C . 10330 1 197 . 1 1 24 24 GLY CA C 13 45.101 0.300 . 1 . . . . 24 GLY CA . 10330 1 198 . 1 1 24 24 GLY N N 15 105.132 0.300 . 1 . . . . 24 GLY N . 10330 1 199 . 1 1 25 25 MET H H 1 9.154 0.030 . 1 . . . . 25 MET H . 10330 1 200 . 1 1 25 25 MET HA H 1 5.211 0.030 . 1 . . . . 25 MET HA . 10330 1 201 . 1 1 25 25 MET HB2 H 1 1.839 0.030 . 2 . . . . 25 MET HB2 . 10330 1 202 . 1 1 25 25 MET HB3 H 1 1.745 0.030 . 2 . . . . 25 MET HB3 . 10330 1 203 . 1 1 25 25 MET HE1 H 1 2.062 0.030 . 1 . . . . 25 MET HE . 10330 1 204 . 1 1 25 25 MET HE2 H 1 2.062 0.030 . 1 . . . . 25 MET HE . 10330 1 205 . 1 1 25 25 MET HE3 H 1 2.062 0.030 . 1 . . . . 25 MET HE . 10330 1 206 . 1 1 25 25 MET HG2 H 1 2.459 0.030 . 2 . . . . 25 MET HG2 . 10330 1 207 . 1 1 25 25 MET HG3 H 1 2.537 0.030 . 2 . . . . 25 MET HG3 . 10330 1 208 . 1 1 25 25 MET C C 13 174.919 0.300 . 1 . . . . 25 MET C . 10330 1 209 . 1 1 25 25 MET CA C 13 54.068 0.300 . 1 . . . . 25 MET CA . 10330 1 210 . 1 1 25 25 MET CB C 13 36.434 0.300 . 1 . . . . 25 MET CB . 10330 1 211 . 1 1 25 25 MET CE C 13 16.950 0.300 . 1 . . . . 25 MET CE . 10330 1 212 . 1 1 25 25 MET CG C 13 31.762 0.300 . 1 . . . . 25 MET CG . 10330 1 213 . 1 1 25 25 MET N N 15 120.891 0.300 . 1 . . . . 25 MET N . 10330 1 214 . 1 1 26 26 VAL H H 1 7.946 0.030 . 1 . . . . 26 VAL H . 10330 1 215 . 1 1 26 26 VAL HA H 1 3.207 0.030 . 1 . . . . 26 VAL HA . 10330 1 216 . 1 1 26 26 VAL HB H 1 1.707 0.030 . 1 . . . . 26 VAL HB . 10330 1 217 . 1 1 26 26 VAL HG11 H 1 0.745 0.030 . 1 . . . . 26 VAL HG1 . 10330 1 218 . 1 1 26 26 VAL HG12 H 1 0.745 0.030 . 1 . . . . 26 VAL HG1 . 10330 1 219 . 1 1 26 26 VAL HG13 H 1 0.745 0.030 . 1 . . . . 26 VAL HG1 . 10330 1 220 . 1 1 26 26 VAL HG21 H 1 0.699 0.030 . 1 . . . . 26 VAL HG2 . 10330 1 221 . 1 1 26 26 VAL HG22 H 1 0.699 0.030 . 1 . . . . 26 VAL HG2 . 10330 1 222 . 1 1 26 26 VAL HG23 H 1 0.699 0.030 . 1 . . . . 26 VAL HG2 . 10330 1 223 . 1 1 26 26 VAL C C 13 174.431 0.300 . 1 . . . . 26 VAL C . 10330 1 224 . 1 1 26 26 VAL CA C 13 63.604 0.300 . 1 . . . . 26 VAL CA . 10330 1 225 . 1 1 26 26 VAL CB C 13 32.091 0.300 . 1 . . . . 26 VAL CB . 10330 1 226 . 1 1 26 26 VAL CG1 C 13 21.087 0.300 . 2 . . . . 26 VAL CG1 . 10330 1 227 . 1 1 26 26 VAL CG2 C 13 21.403 0.300 . 2 . . . . 26 VAL CG2 . 10330 1 228 . 1 1 26 26 VAL N N 15 119.959 0.300 . 1 . . . . 26 VAL N . 10330 1 229 . 1 1 27 27 ASN H H 1 8.744 0.030 . 1 . . . . 27 ASN H . 10330 1 230 . 1 1 27 27 ASN HA H 1 4.020 0.030 . 1 . . . . 27 ASN HA . 10330 1 231 . 1 1 27 27 ASN HB2 H 1 3.016 0.030 . 2 . . . . 27 ASN HB2 . 10330 1 232 . 1 1 27 27 ASN HB3 H 1 2.970 0.030 . 2 . . . . 27 ASN HB3 . 10330 1 233 . 1 1 27 27 ASN HD21 H 1 6.847 0.030 . 2 . . . . 27 ASN HD21 . 10330 1 234 . 1 1 27 27 ASN HD22 H 1 7.623 0.030 . 2 . . . . 27 ASN HD22 . 10330 1 235 . 1 1 27 27 ASN C C 13 173.206 0.300 . 1 . . . . 27 ASN C . 10330 1 236 . 1 1 27 27 ASN CA C 13 55.211 0.300 . 1 . . . . 27 ASN CA . 10330 1 237 . 1 1 27 27 ASN CB C 13 36.960 0.300 . 1 . . . . 27 ASN CB . 10330 1 238 . 1 1 27 27 ASN N N 15 114.852 0.300 . 1 . . . . 27 ASN N . 10330 1 239 . 1 1 27 27 ASN ND2 N 15 113.419 0.300 . 1 . . . . 27 ASN ND2 . 10330 1 240 . 1 1 28 28 LYS H H 1 7.808 0.030 . 1 . . . . 28 LYS H . 10330 1 241 . 1 1 28 28 LYS HA H 1 4.783 0.030 . 1 . . . . 28 LYS HA . 10330 1 242 . 1 1 28 28 LYS HB2 H 1 1.622 0.030 . 2 . . . . 28 LYS HB2 . 10330 1 243 . 1 1 28 28 LYS HB3 H 1 1.667 0.030 . 2 . . . . 28 LYS HB3 . 10330 1 244 . 1 1 28 28 LYS HD2 H 1 1.671 0.030 . 1 . . . . 28 LYS HD2 . 10330 1 245 . 1 1 28 28 LYS HD3 H 1 1.671 0.030 . 1 . . . . 28 LYS HD3 . 10330 1 246 . 1 1 28 28 LYS HE2 H 1 2.969 0.030 . 1 . . . . 28 LYS HE2 . 10330 1 247 . 1 1 28 28 LYS HE3 H 1 2.969 0.030 . 1 . . . . 28 LYS HE3 . 10330 1 248 . 1 1 28 28 LYS HG2 H 1 1.265 0.030 . 2 . . . . 28 LYS HG2 . 10330 1 249 . 1 1 28 28 LYS HG3 H 1 1.356 0.030 . 2 . . . . 28 LYS HG3 . 10330 1 250 . 1 1 28 28 LYS C C 13 173.580 0.300 . 1 . . . . 28 LYS C . 10330 1 251 . 1 1 28 28 LYS CA C 13 52.388 0.300 . 1 . . . . 28 LYS CA . 10330 1 252 . 1 1 28 28 LYS CB C 13 33.732 0.300 . 1 . . . . 28 LYS CB . 10330 1 253 . 1 1 28 28 LYS CD C 13 28.902 0.300 . 1 . . . . 28 LYS CD . 10330 1 254 . 1 1 28 28 LYS CE C 13 42.454 0.300 . 1 . . . . 28 LYS CE . 10330 1 255 . 1 1 28 28 LYS CG C 13 24.581 0.300 . 1 . . . . 28 LYS CG . 10330 1 256 . 1 1 28 28 LYS N N 15 119.229 0.300 . 1 . . . . 28 LYS N . 10330 1 257 . 1 1 29 29 PRO HA H 1 4.200 0.030 . 1 . . . . 29 PRO HA . 10330 1 258 . 1 1 29 29 PRO HB2 H 1 1.950 0.030 . 2 . . . . 29 PRO HB2 . 10330 1 259 . 1 1 29 29 PRO HB3 H 1 1.608 0.030 . 2 . . . . 29 PRO HB3 . 10330 1 260 . 1 1 29 29 PRO HD2 H 1 3.530 0.030 . 2 . . . . 29 PRO HD2 . 10330 1 261 . 1 1 29 29 PRO HD3 H 1 3.629 0.030 . 2 . . . . 29 PRO HD3 . 10330 1 262 . 1 1 29 29 PRO HG2 H 1 1.826 0.030 . 2 . . . . 29 PRO HG2 . 10330 1 263 . 1 1 29 29 PRO HG3 H 1 2.014 0.030 . 2 . . . . 29 PRO HG3 . 10330 1 264 . 1 1 29 29 PRO C C 13 175.801 0.300 . 1 . . . . 29 PRO C . 10330 1 265 . 1 1 29 29 PRO CA C 13 63.160 0.300 . 1 . . . . 29 PRO CA . 10330 1 266 . 1 1 29 29 PRO CB C 13 31.363 0.300 . 1 . . . . 29 PRO CB . 10330 1 267 . 1 1 29 29 PRO CD C 13 50.120 0.300 . 1 . . . . 29 PRO CD . 10330 1 268 . 1 1 29 29 PRO CG C 13 27.665 0.300 . 1 . . . . 29 PRO CG . 10330 1 269 . 1 1 30 30 ALA H H 1 8.812 0.030 . 1 . . . . 30 ALA H . 10330 1 270 . 1 1 30 30 ALA HA H 1 4.599 0.030 . 1 . . . . 30 ALA HA . 10330 1 271 . 1 1 30 30 ALA HB1 H 1 0.532 0.030 . 1 . . . . 30 ALA HB . 10330 1 272 . 1 1 30 30 ALA HB2 H 1 0.532 0.030 . 1 . . . . 30 ALA HB . 10330 1 273 . 1 1 30 30 ALA HB3 H 1 0.532 0.030 . 1 . . . . 30 ALA HB . 10330 1 274 . 1 1 30 30 ALA C C 13 176.458 0.300 . 1 . . . . 30 ALA C . 10330 1 275 . 1 1 30 30 ALA CA C 13 50.691 0.300 . 1 . . . . 30 ALA CA . 10330 1 276 . 1 1 30 30 ALA CB C 13 18.489 0.300 . 1 . . . . 30 ALA CB . 10330 1 277 . 1 1 30 30 ALA N N 15 132.199 0.300 . 1 . . . . 30 ALA N . 10330 1 278 . 1 1 31 31 THR H H 1 8.294 0.030 . 1 . . . . 31 THR H . 10330 1 279 . 1 1 31 31 THR HA H 1 5.673 0.030 . 1 . . . . 31 THR HA . 10330 1 280 . 1 1 31 31 THR HB H 1 3.845 0.030 . 1 . . . . 31 THR HB . 10330 1 281 . 1 1 31 31 THR HG21 H 1 1.011 0.030 . 1 . . . . 31 THR HG2 . 10330 1 282 . 1 1 31 31 THR HG22 H 1 1.011 0.030 . 1 . . . . 31 THR HG2 . 10330 1 283 . 1 1 31 31 THR HG23 H 1 1.011 0.030 . 1 . . . . 31 THR HG2 . 10330 1 284 . 1 1 31 31 THR C C 13 174.030 0.300 . 1 . . . . 31 THR C . 10330 1 285 . 1 1 31 31 THR CA C 13 60.259 0.300 . 1 . . . . 31 THR CA . 10330 1 286 . 1 1 31 31 THR CB C 13 72.110 0.300 . 1 . . . . 31 THR CB . 10330 1 287 . 1 1 31 31 THR CG2 C 13 21.187 0.300 . 1 . . . . 31 THR CG2 . 10330 1 288 . 1 1 31 31 THR N N 15 114.080 0.300 . 1 . . . . 31 THR N . 10330 1 289 . 1 1 32 32 PHE H H 1 9.042 0.030 . 1 . . . . 32 PHE H . 10330 1 290 . 1 1 32 32 PHE HA H 1 4.987 0.030 . 1 . . . . 32 PHE HA . 10330 1 291 . 1 1 32 32 PHE HB2 H 1 2.864 0.030 . 2 . . . . 32 PHE HB2 . 10330 1 292 . 1 1 32 32 PHE HB3 H 1 2.692 0.030 . 2 . . . . 32 PHE HB3 . 10330 1 293 . 1 1 32 32 PHE HD1 H 1 6.599 0.030 . 1 . . . . 32 PHE HD1 . 10330 1 294 . 1 1 32 32 PHE HD2 H 1 6.599 0.030 . 1 . . . . 32 PHE HD2 . 10330 1 295 . 1 1 32 32 PHE HE1 H 1 6.809 0.030 . 1 . . . . 32 PHE HE1 . 10330 1 296 . 1 1 32 32 PHE HE2 H 1 6.809 0.030 . 1 . . . . 32 PHE HE2 . 10330 1 297 . 1 1 32 32 PHE HZ H 1 6.697 0.030 . 1 . . . . 32 PHE HZ . 10330 1 298 . 1 1 32 32 PHE C C 13 171.197 0.300 . 1 . . . . 32 PHE C . 10330 1 299 . 1 1 32 32 PHE CA C 13 56.739 0.300 . 1 . . . . 32 PHE CA . 10330 1 300 . 1 1 32 32 PHE CB C 13 39.900 0.300 . 1 . . . . 32 PHE CB . 10330 1 301 . 1 1 32 32 PHE CD1 C 13 132.523 0.300 . 1 . . . . 32 PHE CD1 . 10330 1 302 . 1 1 32 32 PHE CD2 C 13 132.523 0.300 . 1 . . . . 32 PHE CD2 . 10330 1 303 . 1 1 32 32 PHE CE1 C 13 130.088 0.300 . 1 . . . . 32 PHE CE1 . 10330 1 304 . 1 1 32 32 PHE CE2 C 13 130.088 0.300 . 1 . . . . 32 PHE CE2 . 10330 1 305 . 1 1 32 32 PHE CZ C 13 129.179 0.300 . 1 . . . . 32 PHE CZ . 10330 1 306 . 1 1 32 32 PHE N N 15 118.767 0.300 . 1 . . . . 32 PHE N . 10330 1 307 . 1 1 33 33 THR H H 1 9.205 0.030 . 1 . . . . 33 THR H . 10330 1 308 . 1 1 33 33 THR HA H 1 4.965 0.030 . 1 . . . . 33 THR HA . 10330 1 309 . 1 1 33 33 THR HB H 1 2.796 0.030 . 1 . . . . 33 THR HB . 10330 1 310 . 1 1 33 33 THR HG21 H 1 1.017 0.030 . 1 . . . . 33 THR HG2 . 10330 1 311 . 1 1 33 33 THR HG22 H 1 1.017 0.030 . 1 . . . . 33 THR HG2 . 10330 1 312 . 1 1 33 33 THR HG23 H 1 1.017 0.030 . 1 . . . . 33 THR HG2 . 10330 1 313 . 1 1 33 33 THR C C 13 173.241 0.300 . 1 . . . . 33 THR C . 10330 1 314 . 1 1 33 33 THR CA C 13 61.999 0.300 . 1 . . . . 33 THR CA . 10330 1 315 . 1 1 33 33 THR CB C 13 71.214 0.300 . 1 . . . . 33 THR CB . 10330 1 316 . 1 1 33 33 THR CG2 C 13 21.352 0.300 . 1 . . . . 33 THR CG2 . 10330 1 317 . 1 1 33 33 THR N N 15 117.327 0.300 . 1 . . . . 33 THR N . 10330 1 318 . 1 1 34 34 ILE H H 1 8.836 0.030 . 1 . . . . 34 ILE H . 10330 1 319 . 1 1 34 34 ILE HA H 1 4.851 0.030 . 1 . . . . 34 ILE HA . 10330 1 320 . 1 1 34 34 ILE HB H 1 1.581 0.030 . 1 . . . . 34 ILE HB . 10330 1 321 . 1 1 34 34 ILE HD11 H 1 0.904 0.030 . 1 . . . . 34 ILE HD1 . 10330 1 322 . 1 1 34 34 ILE HD12 H 1 0.904 0.030 . 1 . . . . 34 ILE HD1 . 10330 1 323 . 1 1 34 34 ILE HD13 H 1 0.904 0.030 . 1 . . . . 34 ILE HD1 . 10330 1 324 . 1 1 34 34 ILE HG12 H 1 0.975 0.030 . 2 . . . . 34 ILE HG12 . 10330 1 325 . 1 1 34 34 ILE HG13 H 1 1.646 0.030 . 2 . . . . 34 ILE HG13 . 10330 1 326 . 1 1 34 34 ILE HG21 H 1 0.812 0.030 . 1 . . . . 34 ILE HG2 . 10330 1 327 . 1 1 34 34 ILE HG22 H 1 0.812 0.030 . 1 . . . . 34 ILE HG2 . 10330 1 328 . 1 1 34 34 ILE HG23 H 1 0.812 0.030 . 1 . . . . 34 ILE HG2 . 10330 1 329 . 1 1 34 34 ILE C C 13 174.943 0.300 . 1 . . . . 34 ILE C . 10330 1 330 . 1 1 34 34 ILE CA C 13 59.622 0.300 . 1 . . . . 34 ILE CA . 10330 1 331 . 1 1 34 34 ILE CB C 13 40.571 0.300 . 1 . . . . 34 ILE CB . 10330 1 332 . 1 1 34 34 ILE CD1 C 13 16.289 0.300 . 1 . . . . 34 ILE CD1 . 10330 1 333 . 1 1 34 34 ILE CG1 C 13 27.886 0.300 . 1 . . . . 34 ILE CG1 . 10330 1 334 . 1 1 34 34 ILE CG2 C 13 18.135 0.300 . 1 . . . . 34 ILE CG2 . 10330 1 335 . 1 1 34 34 ILE N N 15 122.972 0.300 . 1 . . . . 34 ILE N . 10330 1 336 . 1 1 35 35 VAL H H 1 9.291 0.030 . 1 . . . . 35 VAL H . 10330 1 337 . 1 1 35 35 VAL HA H 1 4.490 0.030 . 1 . . . . 35 VAL HA . 10330 1 338 . 1 1 35 35 VAL HB H 1 2.313 0.030 . 1 . . . . 35 VAL HB . 10330 1 339 . 1 1 35 35 VAL HG11 H 1 1.075 0.030 . 1 . . . . 35 VAL HG1 . 10330 1 340 . 1 1 35 35 VAL HG12 H 1 1.075 0.030 . 1 . . . . 35 VAL HG1 . 10330 1 341 . 1 1 35 35 VAL HG13 H 1 1.075 0.030 . 1 . . . . 35 VAL HG1 . 10330 1 342 . 1 1 35 35 VAL HG21 H 1 1.075 0.030 . 1 . . . . 35 VAL HG2 . 10330 1 343 . 1 1 35 35 VAL HG22 H 1 1.075 0.030 . 1 . . . . 35 VAL HG2 . 10330 1 344 . 1 1 35 35 VAL HG23 H 1 1.075 0.030 . 1 . . . . 35 VAL HG2 . 10330 1 345 . 1 1 35 35 VAL C C 13 176.227 0.300 . 1 . . . . 35 VAL C . 10330 1 346 . 1 1 35 35 VAL CA C 13 62.244 0.300 . 1 . . . . 35 VAL CA . 10330 1 347 . 1 1 35 35 VAL CB C 13 32.261 0.300 . 1 . . . . 35 VAL CB . 10330 1 348 . 1 1 35 35 VAL CG1 C 13 21.408 0.300 . 1 . . . . 35 VAL CG1 . 10330 1 349 . 1 1 35 35 VAL CG2 C 13 21.408 0.300 . 1 . . . . 35 VAL CG2 . 10330 1 350 . 1 1 35 35 VAL N N 15 128.403 0.300 . 1 . . . . 35 VAL N . 10330 1 351 . 1 1 36 36 THR H H 1 8.520 0.030 . 1 . . . . 36 THR H . 10330 1 352 . 1 1 36 36 THR HA H 1 4.314 0.030 . 1 . . . . 36 THR HA . 10330 1 353 . 1 1 36 36 THR HB H 1 4.353 0.030 . 1 . . . . 36 THR HB . 10330 1 354 . 1 1 36 36 THR HG21 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 10330 1 355 . 1 1 36 36 THR HG22 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 10330 1 356 . 1 1 36 36 THR HG23 H 1 0.996 0.030 . 1 . . . . 36 THR HG2 . 10330 1 357 . 1 1 36 36 THR C C 13 175.816 0.300 . 1 . . . . 36 THR C . 10330 1 358 . 1 1 36 36 THR CA C 13 61.337 0.300 . 1 . . . . 36 THR CA . 10330 1 359 . 1 1 36 36 THR CB C 13 68.803 0.300 . 1 . . . . 36 THR CB . 10330 1 360 . 1 1 36 36 THR CG2 C 13 21.954 0.300 . 1 . . . . 36 THR CG2 . 10330 1 361 . 1 1 36 36 THR N N 15 117.211 0.300 . 1 . . . . 36 THR N . 10330 1 362 . 1 1 37 37 LYS H H 1 7.679 0.030 . 1 . . . . 37 LYS H . 10330 1 363 . 1 1 37 37 LYS HA H 1 4.086 0.030 . 1 . . . . 37 LYS HA . 10330 1 364 . 1 1 37 37 LYS HB2 H 1 1.868 0.030 . 2 . . . . 37 LYS HB2 . 10330 1 365 . 1 1 37 37 LYS HB3 H 1 1.808 0.030 . 2 . . . . 37 LYS HB3 . 10330 1 366 . 1 1 37 37 LYS HD2 H 1 1.658 0.030 . 1 . . . . 37 LYS HD2 . 10330 1 367 . 1 1 37 37 LYS HD3 H 1 1.658 0.030 . 1 . . . . 37 LYS HD3 . 10330 1 368 . 1 1 37 37 LYS HE2 H 1 2.945 0.030 . 1 . . . . 37 LYS HE2 . 10330 1 369 . 1 1 37 37 LYS HE3 H 1 2.945 0.030 . 1 . . . . 37 LYS HE3 . 10330 1 370 . 1 1 37 37 LYS HG2 H 1 1.386 0.030 . 1 . . . . 37 LYS HG2 . 10330 1 371 . 1 1 37 37 LYS HG3 H 1 1.386 0.030 . 1 . . . . 37 LYS HG3 . 10330 1 372 . 1 1 37 37 LYS C C 13 176.107 0.300 . 1 . . . . 37 LYS C . 10330 1 373 . 1 1 37 37 LYS CA C 13 58.618 0.300 . 1 . . . . 37 LYS CA . 10330 1 374 . 1 1 37 37 LYS CB C 13 33.232 0.300 . 1 . . . . 37 LYS CB . 10330 1 375 . 1 1 37 37 LYS CD C 13 29.323 0.300 . 1 . . . . 37 LYS CD . 10330 1 376 . 1 1 37 37 LYS CE C 13 42.291 0.300 . 1 . . . . 37 LYS CE . 10330 1 377 . 1 1 37 37 LYS CG C 13 24.220 0.300 . 1 . . . . 37 LYS CG . 10330 1 378 . 1 1 37 37 LYS N N 15 123.222 0.300 . 1 . . . . 37 LYS N . 10330 1 379 . 1 1 38 38 ASP H H 1 8.632 0.030 . 1 . . . . 38 ASP H . 10330 1 380 . 1 1 38 38 ASP HA H 1 4.721 0.030 . 1 . . . . 38 ASP HA . 10330 1 381 . 1 1 38 38 ASP HB2 H 1 2.820 0.030 . 2 . . . . 38 ASP HB2 . 10330 1 382 . 1 1 38 38 ASP HB3 H 1 2.393 0.030 . 2 . . . . 38 ASP HB3 . 10330 1 383 . 1 1 38 38 ASP C C 13 175.654 0.300 . 1 . . . . 38 ASP C . 10330 1 384 . 1 1 38 38 ASP CA C 13 54.878 0.300 . 1 . . . . 38 ASP CA . 10330 1 385 . 1 1 38 38 ASP CB C 13 41.013 0.300 . 1 . . . . 38 ASP CB . 10330 1 386 . 1 1 38 38 ASP N N 15 118.837 0.300 . 1 . . . . 38 ASP N . 10330 1 387 . 1 1 39 39 ALA H H 1 7.829 0.030 . 1 . . . . 39 ALA H . 10330 1 388 . 1 1 39 39 ALA HA H 1 4.071 0.030 . 1 . . . . 39 ALA HA . 10330 1 389 . 1 1 39 39 ALA HB1 H 1 1.000 0.030 . 1 . . . . 39 ALA HB . 10330 1 390 . 1 1 39 39 ALA HB2 H 1 1.000 0.030 . 1 . . . . 39 ALA HB . 10330 1 391 . 1 1 39 39 ALA HB3 H 1 1.000 0.030 . 1 . . . . 39 ALA HB . 10330 1 392 . 1 1 39 39 ALA C C 13 177.730 0.300 . 1 . . . . 39 ALA C . 10330 1 393 . 1 1 39 39 ALA CA C 13 53.024 0.300 . 1 . . . . 39 ALA CA . 10330 1 394 . 1 1 39 39 ALA CB C 13 20.364 0.300 . 1 . . . . 39 ALA CB . 10330 1 395 . 1 1 39 39 ALA N N 15 121.867 0.300 . 1 . . . . 39 ALA N . 10330 1 396 . 1 1 40 40 GLY H H 1 8.152 0.030 . 1 . . . . 40 GLY H . 10330 1 397 . 1 1 40 40 GLY HA2 H 1 4.062 0.030 . 2 . . . . 40 GLY HA2 . 10330 1 398 . 1 1 40 40 GLY HA3 H 1 3.812 0.030 . 2 . . . . 40 GLY HA3 . 10330 1 399 . 1 1 40 40 GLY C C 13 173.917 0.300 . 1 . . . . 40 GLY C . 10330 1 400 . 1 1 40 40 GLY CA C 13 44.924 0.300 . 1 . . . . 40 GLY CA . 10330 1 401 . 1 1 40 40 GLY N N 15 105.991 0.300 . 1 . . . . 40 GLY N . 10330 1 402 . 1 1 41 41 GLU H H 1 8.450 0.030 . 1 . . . . 41 GLU H . 10330 1 403 . 1 1 41 41 GLU HA H 1 4.355 0.030 . 1 . . . . 41 GLU HA . 10330 1 404 . 1 1 41 41 GLU HB2 H 1 2.055 0.030 . 2 . . . . 41 GLU HB2 . 10330 1 405 . 1 1 41 41 GLU HB3 H 1 1.893 0.030 . 2 . . . . 41 GLU HB3 . 10330 1 406 . 1 1 41 41 GLU HG2 H 1 2.238 0.030 . 1 . . . . 41 GLU HG2 . 10330 1 407 . 1 1 41 41 GLU HG3 H 1 2.238 0.030 . 1 . . . . 41 GLU HG3 . 10330 1 408 . 1 1 41 41 GLU C C 13 176.797 0.300 . 1 . . . . 41 GLU C . 10330 1 409 . 1 1 41 41 GLU CA C 13 56.509 0.300 . 1 . . . . 41 GLU CA . 10330 1 410 . 1 1 41 41 GLU CB C 13 30.089 0.300 . 1 . . . . 41 GLU CB . 10330 1 411 . 1 1 41 41 GLU CG C 13 36.362 0.300 . 1 . . . . 41 GLU CG . 10330 1 412 . 1 1 41 41 GLU N N 15 120.679 0.300 . 1 . . . . 41 GLU N . 10330 1 413 . 1 1 42 42 GLY H H 1 8.217 0.030 . 1 . . . . 42 GLY H . 10330 1 414 . 1 1 42 42 GLY HA2 H 1 3.777 0.030 . 2 . . . . 42 GLY HA2 . 10330 1 415 . 1 1 42 42 GLY HA3 H 1 3.545 0.030 . 2 . . . . 42 GLY HA3 . 10330 1 416 . 1 1 42 42 GLY C C 13 173.143 0.300 . 1 . . . . 42 GLY C . 10330 1 417 . 1 1 42 42 GLY CA C 13 45.263 0.300 . 1 . . . . 42 GLY CA . 10330 1 418 . 1 1 42 42 GLY N N 15 109.749 0.300 . 1 . . . . 42 GLY N . 10330 1 419 . 1 1 43 43 GLY H H 1 8.105 0.030 . 1 . . . . 43 GLY H . 10330 1 420 . 1 1 43 43 GLY HA2 H 1 4.101 0.030 . 2 . . . . 43 GLY HA2 . 10330 1 421 . 1 1 43 43 GLY HA3 H 1 3.463 0.030 . 2 . . . . 43 GLY HA3 . 10330 1 422 . 1 1 43 43 GLY C C 13 173.325 0.300 . 1 . . . . 43 GLY C . 10330 1 423 . 1 1 43 43 GLY CA C 13 44.837 0.300 . 1 . . . . 43 GLY CA . 10330 1 424 . 1 1 43 43 GLY N N 15 106.822 0.300 . 1 . . . . 43 GLY N . 10330 1 425 . 1 1 44 44 LEU H H 1 8.453 0.030 . 1 . . . . 44 LEU H . 10330 1 426 . 1 1 44 44 LEU HA H 1 5.115 0.030 . 1 . . . . 44 LEU HA . 10330 1 427 . 1 1 44 44 LEU HB2 H 1 1.610 0.030 . 1 . . . . 44 LEU HB2 . 10330 1 428 . 1 1 44 44 LEU HB3 H 1 1.610 0.030 . 1 . . . . 44 LEU HB3 . 10330 1 429 . 1 1 44 44 LEU HD11 H 1 0.924 0.030 . 1 . . . . 44 LEU HD1 . 10330 1 430 . 1 1 44 44 LEU HD12 H 1 0.924 0.030 . 1 . . . . 44 LEU HD1 . 10330 1 431 . 1 1 44 44 LEU HD13 H 1 0.924 0.030 . 1 . . . . 44 LEU HD1 . 10330 1 432 . 1 1 44 44 LEU HD21 H 1 0.904 0.030 . 1 . . . . 44 LEU HD2 . 10330 1 433 . 1 1 44 44 LEU HD22 H 1 0.904 0.030 . 1 . . . . 44 LEU HD2 . 10330 1 434 . 1 1 44 44 LEU HD23 H 1 0.904 0.030 . 1 . . . . 44 LEU HD2 . 10330 1 435 . 1 1 44 44 LEU HG H 1 1.603 0.030 . 1 . . . . 44 LEU HG . 10330 1 436 . 1 1 44 44 LEU C C 13 176.872 0.300 . 1 . . . . 44 LEU C . 10330 1 437 . 1 1 44 44 LEU CA C 13 54.303 0.300 . 1 . . . . 44 LEU CA . 10330 1 438 . 1 1 44 44 LEU CB C 13 44.567 0.300 . 1 . . . . 44 LEU CB . 10330 1 439 . 1 1 44 44 LEU CD1 C 13 24.925 0.300 . 2 . . . . 44 LEU CD1 . 10330 1 440 . 1 1 44 44 LEU CD2 C 13 25.506 0.300 . 2 . . . . 44 LEU CD2 . 10330 1 441 . 1 1 44 44 LEU CG C 13 27.534 0.300 . 1 . . . . 44 LEU CG . 10330 1 442 . 1 1 44 44 LEU N N 15 125.718 0.300 . 1 . . . . 44 LEU N . 10330 1 443 . 1 1 45 45 SER H H 1 9.111 0.030 . 1 . . . . 45 SER H . 10330 1 444 . 1 1 45 45 SER HA H 1 4.728 0.030 . 1 . . . . 45 SER HA . 10330 1 445 . 1 1 45 45 SER HB2 H 1 3.651 0.030 . 1 . . . . 45 SER HB2 . 10330 1 446 . 1 1 45 45 SER HB3 H 1 3.651 0.030 . 1 . . . . 45 SER HB3 . 10330 1 447 . 1 1 45 45 SER C C 13 172.232 0.300 . 1 . . . . 45 SER C . 10330 1 448 . 1 1 45 45 SER CA C 13 57.447 0.300 . 1 . . . . 45 SER CA . 10330 1 449 . 1 1 45 45 SER CB C 13 65.136 0.300 . 1 . . . . 45 SER CB . 10330 1 450 . 1 1 45 45 SER N N 15 120.313 0.300 . 1 . . . . 45 SER N . 10330 1 451 . 1 1 46 46 LEU H H 1 8.468 0.030 . 1 . . . . 46 LEU H . 10330 1 452 . 1 1 46 46 LEU HA H 1 5.448 0.030 . 1 . . . . 46 LEU HA . 10330 1 453 . 1 1 46 46 LEU HB2 H 1 1.693 0.030 . 2 . . . . 46 LEU HB2 . 10330 1 454 . 1 1 46 46 LEU HB3 H 1 1.377 0.030 . 2 . . . . 46 LEU HB3 . 10330 1 455 . 1 1 46 46 LEU HD11 H 1 0.862 0.030 . 1 . . . . 46 LEU HD1 . 10330 1 456 . 1 1 46 46 LEU HD12 H 1 0.862 0.030 . 1 . . . . 46 LEU HD1 . 10330 1 457 . 1 1 46 46 LEU HD13 H 1 0.862 0.030 . 1 . . . . 46 LEU HD1 . 10330 1 458 . 1 1 46 46 LEU HD21 H 1 0.973 0.030 . 1 . . . . 46 LEU HD2 . 10330 1 459 . 1 1 46 46 LEU HD22 H 1 0.973 0.030 . 1 . . . . 46 LEU HD2 . 10330 1 460 . 1 1 46 46 LEU HD23 H 1 0.973 0.030 . 1 . . . . 46 LEU HD2 . 10330 1 461 . 1 1 46 46 LEU HG H 1 1.601 0.030 . 1 . . . . 46 LEU HG . 10330 1 462 . 1 1 46 46 LEU C C 13 176.269 0.300 . 1 . . . . 46 LEU C . 10330 1 463 . 1 1 46 46 LEU CA C 13 53.231 0.300 . 1 . . . . 46 LEU CA . 10330 1 464 . 1 1 46 46 LEU CB C 13 46.480 0.300 . 1 . . . . 46 LEU CB . 10330 1 465 . 1 1 46 46 LEU CD1 C 13 26.448 0.300 . 2 . . . . 46 LEU CD1 . 10330 1 466 . 1 1 46 46 LEU CD2 C 13 26.460 0.300 . 2 . . . . 46 LEU CD2 . 10330 1 467 . 1 1 46 46 LEU CG C 13 27.549 0.300 . 1 . . . . 46 LEU CG . 10330 1 468 . 1 1 46 46 LEU N N 15 124.908 0.300 . 1 . . . . 46 LEU N . 10330 1 469 . 1 1 47 47 ALA H H 1 8.871 0.030 . 1 . . . . 47 ALA H . 10330 1 470 . 1 1 47 47 ALA HA H 1 4.520 0.030 . 1 . . . . 47 ALA HA . 10330 1 471 . 1 1 47 47 ALA HB1 H 1 1.362 0.030 . 1 . . . . 47 ALA HB . 10330 1 472 . 1 1 47 47 ALA HB2 H 1 1.362 0.030 . 1 . . . . 47 ALA HB . 10330 1 473 . 1 1 47 47 ALA HB3 H 1 1.362 0.030 . 1 . . . . 47 ALA HB . 10330 1 474 . 1 1 47 47 ALA C C 13 174.465 0.300 . 1 . . . . 47 ALA C . 10330 1 475 . 1 1 47 47 ALA CA C 13 52.046 0.300 . 1 . . . . 47 ALA CA . 10330 1 476 . 1 1 47 47 ALA CB C 13 22.584 0.300 . 1 . . . . 47 ALA CB . 10330 1 477 . 1 1 47 47 ALA N N 15 123.908 0.300 . 1 . . . . 47 ALA N . 10330 1 478 . 1 1 48 48 VAL H H 1 8.514 0.030 . 1 . . . . 48 VAL H . 10330 1 479 . 1 1 48 48 VAL HA H 1 5.037 0.030 . 1 . . . . 48 VAL HA . 10330 1 480 . 1 1 48 48 VAL HB H 1 1.765 0.030 . 1 . . . . 48 VAL HB . 10330 1 481 . 1 1 48 48 VAL HG11 H 1 0.608 0.030 . 1 . . . . 48 VAL HG1 . 10330 1 482 . 1 1 48 48 VAL HG12 H 1 0.608 0.030 . 1 . . . . 48 VAL HG1 . 10330 1 483 . 1 1 48 48 VAL HG13 H 1 0.608 0.030 . 1 . . . . 48 VAL HG1 . 10330 1 484 . 1 1 48 48 VAL HG21 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 10330 1 485 . 1 1 48 48 VAL HG22 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 10330 1 486 . 1 1 48 48 VAL HG23 H 1 0.511 0.030 . 1 . . . . 48 VAL HG2 . 10330 1 487 . 1 1 48 48 VAL C C 13 175.492 0.300 . 1 . . . . 48 VAL C . 10330 1 488 . 1 1 48 48 VAL CA C 13 61.191 0.300 . 1 . . . . 48 VAL CA . 10330 1 489 . 1 1 48 48 VAL CB C 13 34.444 0.300 . 1 . . . . 48 VAL CB . 10330 1 490 . 1 1 48 48 VAL CG1 C 13 21.764 0.300 . 2 . . . . 48 VAL CG1 . 10330 1 491 . 1 1 48 48 VAL CG2 C 13 20.849 0.300 . 2 . . . . 48 VAL CG2 . 10330 1 492 . 1 1 48 48 VAL N N 15 119.906 0.300 . 1 . . . . 48 VAL N . 10330 1 493 . 1 1 49 49 GLU H H 1 9.323 0.030 . 1 . . . . 49 GLU H . 10330 1 494 . 1 1 49 49 GLU HA H 1 4.909 0.030 . 1 . . . . 49 GLU HA . 10330 1 495 . 1 1 49 49 GLU HB2 H 1 2.004 0.030 . 2 . . . . 49 GLU HB2 . 10330 1 496 . 1 1 49 49 GLU HB3 H 1 1.822 0.030 . 2 . . . . 49 GLU HB3 . 10330 1 497 . 1 1 49 49 GLU HG2 H 1 2.146 0.030 . 1 . . . . 49 GLU HG2 . 10330 1 498 . 1 1 49 49 GLU HG3 H 1 2.146 0.030 . 1 . . . . 49 GLU HG3 . 10330 1 499 . 1 1 49 49 GLU C C 13 175.217 0.300 . 1 . . . . 49 GLU C . 10330 1 500 . 1 1 49 49 GLU CA C 13 54.139 0.300 . 1 . . . . 49 GLU CA . 10330 1 501 . 1 1 49 49 GLU CB C 13 32.619 0.300 . 1 . . . . 49 GLU CB . 10330 1 502 . 1 1 49 49 GLU CG C 13 35.690 0.300 . 1 . . . . 49 GLU CG . 10330 1 503 . 1 1 49 49 GLU N N 15 127.950 0.300 . 1 . . . . 49 GLU N . 10330 1 504 . 1 1 50 50 GLY H H 1 8.476 0.030 . 1 . . . . 50 GLY H . 10330 1 505 . 1 1 50 50 GLY HA2 H 1 3.549 0.030 . 2 . . . . 50 GLY HA2 . 10330 1 506 . 1 1 50 50 GLY HA3 H 1 3.847 0.030 . 2 . . . . 50 GLY HA3 . 10330 1 507 . 1 1 50 50 GLY C C 13 171.612 0.300 . 1 . . . . 50 GLY C . 10330 1 508 . 1 1 50 50 GLY CA C 13 45.667 0.300 . 1 . . . . 50 GLY CA . 10330 1 509 . 1 1 50 50 GLY N N 15 111.137 0.300 . 1 . . . . 50 GLY N . 10330 1 510 . 1 1 51 51 PRO HA H 1 4.288 0.030 . 1 . . . . 51 PRO HA . 10330 1 511 . 1 1 51 51 PRO HB2 H 1 2.215 0.030 . 2 . . . . 51 PRO HB2 . 10330 1 512 . 1 1 51 51 PRO HB3 H 1 1.846 0.030 . 2 . . . . 51 PRO HB3 . 10330 1 513 . 1 1 51 51 PRO HD2 H 1 2.942 0.030 . 2 . . . . 51 PRO HD2 . 10330 1 514 . 1 1 51 51 PRO HD3 H 1 1.763 0.030 . 2 . . . . 51 PRO HD3 . 10330 1 515 . 1 1 51 51 PRO HG2 H 1 1.541 0.030 . 2 . . . . 51 PRO HG2 . 10330 1 516 . 1 1 51 51 PRO HG3 H 1 1.782 0.030 . 2 . . . . 51 PRO HG3 . 10330 1 517 . 1 1 51 51 PRO C C 13 176.024 0.300 . 1 . . . . 51 PRO C . 10330 1 518 . 1 1 51 51 PRO CA C 13 64.016 0.300 . 1 . . . . 51 PRO CA . 10330 1 519 . 1 1 51 51 PRO CB C 13 32.059 0.300 . 1 . . . . 51 PRO CB . 10330 1 520 . 1 1 51 51 PRO CD C 13 49.461 0.300 . 1 . . . . 51 PRO CD . 10330 1 521 . 1 1 51 51 PRO CG C 13 26.792 0.300 . 1 . . . . 51 PRO CG . 10330 1 522 . 1 1 52 52 SER H H 1 7.171 0.030 . 1 . . . . 52 SER H . 10330 1 523 . 1 1 52 52 SER HA H 1 4.557 0.030 . 1 . . . . 52 SER HA . 10330 1 524 . 1 1 52 52 SER HB2 H 1 3.829 0.030 . 2 . . . . 52 SER HB2 . 10330 1 525 . 1 1 52 52 SER HB3 H 1 3.757 0.030 . 2 . . . . 52 SER HB3 . 10330 1 526 . 1 1 52 52 SER C C 13 172.931 0.300 . 1 . . . . 52 SER C . 10330 1 527 . 1 1 52 52 SER CA C 13 57.084 0.300 . 1 . . . . 52 SER CA . 10330 1 528 . 1 1 52 52 SER CB C 13 67.255 0.300 . 1 . . . . 52 SER CB . 10330 1 529 . 1 1 52 52 SER N N 15 109.852 0.300 . 1 . . . . 52 SER N . 10330 1 530 . 1 1 53 53 LYS H H 1 8.632 0.030 . 1 . . . . 53 LYS H . 10330 1 531 . 1 1 53 53 LYS HA H 1 4.397 0.030 . 1 . . . . 53 LYS HA . 10330 1 532 . 1 1 53 53 LYS HB2 H 1 1.855 0.030 . 2 . . . . 53 LYS HB2 . 10330 1 533 . 1 1 53 53 LYS HB3 H 1 1.769 0.030 . 2 . . . . 53 LYS HB3 . 10330 1 534 . 1 1 53 53 LYS HD2 H 1 1.726 0.030 . 1 . . . . 53 LYS HD2 . 10330 1 535 . 1 1 53 53 LYS HD3 H 1 1.726 0.030 . 1 . . . . 53 LYS HD3 . 10330 1 536 . 1 1 53 53 LYS HE2 H 1 3.010 0.030 . 1 . . . . 53 LYS HE2 . 10330 1 537 . 1 1 53 53 LYS HE3 H 1 3.010 0.030 . 1 . . . . 53 LYS HE3 . 10330 1 538 . 1 1 53 53 LYS HG2 H 1 1.381 0.030 . 2 . . . . 53 LYS HG2 . 10330 1 539 . 1 1 53 53 LYS HG3 H 1 1.469 0.030 . 2 . . . . 53 LYS HG3 . 10330 1 540 . 1 1 53 53 LYS C C 13 175.542 0.300 . 1 . . . . 53 LYS C . 10330 1 541 . 1 1 53 53 LYS CA C 13 55.950 0.300 . 1 . . . . 53 LYS CA . 10330 1 542 . 1 1 53 53 LYS CB C 13 31.285 0.300 . 1 . . . . 53 LYS CB . 10330 1 543 . 1 1 53 53 LYS CD C 13 29.100 0.300 . 1 . . . . 53 LYS CD . 10330 1 544 . 1 1 53 53 LYS CE C 13 42.207 0.300 . 1 . . . . 53 LYS CE . 10330 1 545 . 1 1 53 53 LYS CG C 13 24.669 0.300 . 1 . . . . 53 LYS CG . 10330 1 546 . 1 1 53 53 LYS N N 15 122.786 0.300 . 1 . . . . 53 LYS N . 10330 1 547 . 1 1 54 54 ALA H H 1 8.585 0.030 . 1 . . . . 54 ALA H . 10330 1 548 . 1 1 54 54 ALA HA H 1 4.571 0.030 . 1 . . . . 54 ALA HA . 10330 1 549 . 1 1 54 54 ALA HB1 H 1 1.170 0.030 . 1 . . . . 54 ALA HB . 10330 1 550 . 1 1 54 54 ALA HB2 H 1 1.170 0.030 . 1 . . . . 54 ALA HB . 10330 1 551 . 1 1 54 54 ALA HB3 H 1 1.170 0.030 . 1 . . . . 54 ALA HB . 10330 1 552 . 1 1 54 54 ALA C C 13 176.150 0.300 . 1 . . . . 54 ALA C . 10330 1 553 . 1 1 54 54 ALA CA C 13 51.218 0.300 . 1 . . . . 54 ALA CA . 10330 1 554 . 1 1 54 54 ALA CB C 13 20.074 0.300 . 1 . . . . 54 ALA CB . 10330 1 555 . 1 1 54 54 ALA N N 15 130.280 0.300 . 1 . . . . 54 ALA N . 10330 1 556 . 1 1 55 55 GLU H H 1 8.660 0.030 . 1 . . . . 55 GLU H . 10330 1 557 . 1 1 55 55 GLU HA H 1 4.204 0.030 . 1 . . . . 55 GLU HA . 10330 1 558 . 1 1 55 55 GLU HB2 H 1 1.952 0.030 . 1 . . . . 55 GLU HB2 . 10330 1 559 . 1 1 55 55 GLU HB3 H 1 1.952 0.030 . 1 . . . . 55 GLU HB3 . 10330 1 560 . 1 1 55 55 GLU HG2 H 1 2.329 0.030 . 2 . . . . 55 GLU HG2 . 10330 1 561 . 1 1 55 55 GLU HG3 H 1 2.205 0.030 . 2 . . . . 55 GLU HG3 . 10330 1 562 . 1 1 55 55 GLU C C 13 176.947 0.300 . 1 . . . . 55 GLU C . 10330 1 563 . 1 1 55 55 GLU CA C 13 57.028 0.300 . 1 . . . . 55 GLU CA . 10330 1 564 . 1 1 55 55 GLU CB C 13 30.407 0.300 . 1 . . . . 55 GLU CB . 10330 1 565 . 1 1 55 55 GLU CG C 13 36.179 0.300 . 1 . . . . 55 GLU CG . 10330 1 566 . 1 1 55 55 GLU N N 15 124.094 0.300 . 1 . . . . 55 GLU N . 10330 1 567 . 1 1 56 56 ILE H H 1 8.712 0.030 . 1 . . . . 56 ILE H . 10330 1 568 . 1 1 56 56 ILE HA H 1 4.906 0.030 . 1 . . . . 56 ILE HA . 10330 1 569 . 1 1 56 56 ILE HB H 1 1.607 0.030 . 1 . . . . 56 ILE HB . 10330 1 570 . 1 1 56 56 ILE HD11 H 1 0.801 0.030 . 1 . . . . 56 ILE HD1 . 10330 1 571 . 1 1 56 56 ILE HD12 H 1 0.801 0.030 . 1 . . . . 56 ILE HD1 . 10330 1 572 . 1 1 56 56 ILE HD13 H 1 0.801 0.030 . 1 . . . . 56 ILE HD1 . 10330 1 573 . 1 1 56 56 ILE HG12 H 1 1.816 0.030 . 2 . . . . 56 ILE HG12 . 10330 1 574 . 1 1 56 56 ILE HG13 H 1 0.700 0.030 . 2 . . . . 56 ILE HG13 . 10330 1 575 . 1 1 56 56 ILE HG21 H 1 0.754 0.030 . 1 . . . . 56 ILE HG2 . 10330 1 576 . 1 1 56 56 ILE HG22 H 1 0.754 0.030 . 1 . . . . 56 ILE HG2 . 10330 1 577 . 1 1 56 56 ILE HG23 H 1 0.754 0.030 . 1 . . . . 56 ILE HG2 . 10330 1 578 . 1 1 56 56 ILE C C 13 175.882 0.300 . 1 . . . . 56 ILE C . 10330 1 579 . 1 1 56 56 ILE CA C 13 60.537 0.300 . 1 . . . . 56 ILE CA . 10330 1 580 . 1 1 56 56 ILE CB C 13 41.424 0.300 . 1 . . . . 56 ILE CB . 10330 1 581 . 1 1 56 56 ILE CD1 C 13 14.695 0.300 . 1 . . . . 56 ILE CD1 . 10330 1 582 . 1 1 56 56 ILE CG1 C 13 27.997 0.300 . 1 . . . . 56 ILE CG1 . 10330 1 583 . 1 1 56 56 ILE CG2 C 13 17.443 0.300 . 1 . . . . 56 ILE CG2 . 10330 1 584 . 1 1 56 56 ILE N N 15 126.136 0.300 . 1 . . . . 56 ILE N . 10330 1 585 . 1 1 57 57 THR H H 1 9.310 0.030 . 1 . . . . 57 THR H . 10330 1 586 . 1 1 57 57 THR HA H 1 4.511 0.030 . 1 . . . . 57 THR HA . 10330 1 587 . 1 1 57 57 THR HB H 1 3.961 0.030 . 1 . . . . 57 THR HB . 10330 1 588 . 1 1 57 57 THR HG21 H 1 1.084 0.030 . 1 . . . . 57 THR HG2 . 10330 1 589 . 1 1 57 57 THR HG22 H 1 1.084 0.030 . 1 . . . . 57 THR HG2 . 10330 1 590 . 1 1 57 57 THR HG23 H 1 1.084 0.030 . 1 . . . . 57 THR HG2 . 10330 1 591 . 1 1 57 57 THR C C 13 172.485 0.300 . 1 . . . . 57 THR C . 10330 1 592 . 1 1 57 57 THR CA C 13 61.037 0.300 . 1 . . . . 57 THR CA . 10330 1 593 . 1 1 57 57 THR CB C 13 71.202 0.300 . 1 . . . . 57 THR CB . 10330 1 594 . 1 1 57 57 THR CG2 C 13 21.123 0.300 . 1 . . . . 57 THR CG2 . 10330 1 595 . 1 1 57 57 THR N N 15 122.203 0.300 . 1 . . . . 57 THR N . 10330 1 596 . 1 1 58 58 CYS H H 1 8.808 0.030 . 1 . . . . 58 CYS H . 10330 1 597 . 1 1 58 58 CYS HA H 1 4.920 0.030 . 1 . . . . 58 CYS HA . 10330 1 598 . 1 1 58 58 CYS HB2 H 1 2.767 0.030 . 2 . . . . 58 CYS HB2 . 10330 1 599 . 1 1 58 58 CYS HB3 H 1 2.357 0.030 . 2 . . . . 58 CYS HB3 . 10330 1 600 . 1 1 58 58 CYS C C 13 172.789 0.300 . 1 . . . . 58 CYS C . 10330 1 601 . 1 1 58 58 CYS CA C 13 57.282 0.300 . 1 . . . . 58 CYS CA . 10330 1 602 . 1 1 58 58 CYS CB C 13 28.601 0.300 . 1 . . . . 58 CYS CB . 10330 1 603 . 1 1 58 58 CYS N N 15 124.301 0.300 . 1 . . . . 58 CYS N . 10330 1 604 . 1 1 59 59 LYS H H 1 8.787 0.030 . 1 . . . . 59 LYS H . 10330 1 605 . 1 1 59 59 LYS HA H 1 4.565 0.030 . 1 . . . . 59 LYS HA . 10330 1 606 . 1 1 59 59 LYS HB2 H 1 1.598 0.030 . 2 . . . . 59 LYS HB2 . 10330 1 607 . 1 1 59 59 LYS HB3 H 1 1.741 0.030 . 2 . . . . 59 LYS HB3 . 10330 1 608 . 1 1 59 59 LYS HD2 H 1 1.666 0.030 . 2 . . . . 59 LYS HD2 . 10330 1 609 . 1 1 59 59 LYS HD3 H 1 1.592 0.030 . 2 . . . . 59 LYS HD3 . 10330 1 610 . 1 1 59 59 LYS HE2 H 1 2.936 0.030 . 1 . . . . 59 LYS HE2 . 10330 1 611 . 1 1 59 59 LYS HE3 H 1 2.936 0.030 . 1 . . . . 59 LYS HE3 . 10330 1 612 . 1 1 59 59 LYS HG2 H 1 1.262 0.030 . 2 . . . . 59 LYS HG2 . 10330 1 613 . 1 1 59 59 LYS HG3 H 1 1.183 0.030 . 2 . . . . 59 LYS HG3 . 10330 1 614 . 1 1 59 59 LYS C C 13 174.157 0.300 . 1 . . . . 59 LYS C . 10330 1 615 . 1 1 59 59 LYS CA C 13 54.652 0.300 . 1 . . . . 59 LYS CA . 10330 1 616 . 1 1 59 59 LYS CB C 13 35.271 0.300 . 1 . . . . 59 LYS CB . 10330 1 617 . 1 1 59 59 LYS CD C 13 29.183 0.300 . 1 . . . . 59 LYS CD . 10330 1 618 . 1 1 59 59 LYS CE C 13 42.125 0.300 . 1 . . . . 59 LYS CE . 10330 1 619 . 1 1 59 59 LYS CG C 13 24.443 0.300 . 1 . . . . 59 LYS CG . 10330 1 620 . 1 1 59 59 LYS N N 15 129.215 0.300 . 1 . . . . 59 LYS N . 10330 1 621 . 1 1 60 60 ASP H H 1 8.761 0.030 . 1 . . . . 60 ASP H . 10330 1 622 . 1 1 60 60 ASP HA H 1 4.810 0.030 . 1 . . . . 60 ASP HA . 10330 1 623 . 1 1 60 60 ASP HB2 H 1 2.820 0.030 . 2 . . . . 60 ASP HB2 . 10330 1 624 . 1 1 60 60 ASP HB3 H 1 2.621 0.030 . 2 . . . . 60 ASP HB3 . 10330 1 625 . 1 1 60 60 ASP C C 13 176.931 0.300 . 1 . . . . 60 ASP C . 10330 1 626 . 1 1 60 60 ASP CA C 13 54.157 0.300 . 1 . . . . 60 ASP CA . 10330 1 627 . 1 1 60 60 ASP CB C 13 41.038 0.300 . 1 . . . . 60 ASP CB . 10330 1 628 . 1 1 60 60 ASP N N 15 126.229 0.300 . 1 . . . . 60 ASP N . 10330 1 629 . 1 1 61 61 ASN H H 1 8.688 0.030 . 1 . . . . 61 ASN H . 10330 1 630 . 1 1 61 61 ASN HA H 1 4.656 0.030 . 1 . . . . 61 ASN HA . 10330 1 631 . 1 1 61 61 ASN HB2 H 1 2.679 0.030 . 2 . . . . 61 ASN HB2 . 10330 1 632 . 1 1 61 61 ASN HB3 H 1 2.988 0.030 . 2 . . . . 61 ASN HB3 . 10330 1 633 . 1 1 61 61 ASN HD21 H 1 7.421 0.030 . 2 . . . . 61 ASN HD21 . 10330 1 634 . 1 1 61 61 ASN HD22 H 1 7.293 0.030 . 2 . . . . 61 ASN HD22 . 10330 1 635 . 1 1 61 61 ASN C C 13 175.647 0.300 . 1 . . . . 61 ASN C . 10330 1 636 . 1 1 61 61 ASN CA C 13 54.534 0.300 . 1 . . . . 61 ASN CA . 10330 1 637 . 1 1 61 61 ASN CB C 13 38.742 0.300 . 1 . . . . 61 ASN CB . 10330 1 638 . 1 1 61 61 ASN N N 15 125.122 0.300 . 1 . . . . 61 ASN N . 10330 1 639 . 1 1 61 61 ASN ND2 N 15 114.683 0.300 . 1 . . . . 61 ASN ND2 . 10330 1 640 . 1 1 62 62 LYS H H 1 9.337 0.030 . 1 . . . . 62 LYS H . 10330 1 641 . 1 1 62 62 LYS HA H 1 3.996 0.030 . 1 . . . . 62 LYS HA . 10330 1 642 . 1 1 62 62 LYS HB2 H 1 2.125 0.030 . 2 . . . . 62 LYS HB2 . 10330 1 643 . 1 1 62 62 LYS HB3 H 1 1.989 0.030 . 2 . . . . 62 LYS HB3 . 10330 1 644 . 1 1 62 62 LYS HD2 H 1 1.582 0.030 . 2 . . . . 62 LYS HD2 . 10330 1 645 . 1 1 62 62 LYS HD3 H 1 1.661 0.030 . 2 . . . . 62 LYS HD3 . 10330 1 646 . 1 1 62 62 LYS HE2 H 1 2.961 0.030 . 1 . . . . 62 LYS HE2 . 10330 1 647 . 1 1 62 62 LYS HE3 H 1 2.961 0.030 . 1 . . . . 62 LYS HE3 . 10330 1 648 . 1 1 62 62 LYS HG2 H 1 1.333 0.030 . 2 . . . . 62 LYS HG2 . 10330 1 649 . 1 1 62 62 LYS HG3 H 1 1.235 0.030 . 2 . . . . 62 LYS HG3 . 10330 1 650 . 1 1 62 62 LYS C C 13 175.042 0.300 . 1 . . . . 62 LYS C . 10330 1 651 . 1 1 62 62 LYS CA C 13 57.667 0.300 . 1 . . . . 62 LYS CA . 10330 1 652 . 1 1 62 62 LYS CB C 13 28.482 0.300 . 1 . . . . 62 LYS CB . 10330 1 653 . 1 1 62 62 LYS CD C 13 28.573 0.300 . 1 . . . . 62 LYS CD . 10330 1 654 . 1 1 62 62 LYS CE C 13 42.207 0.300 . 1 . . . . 62 LYS CE . 10330 1 655 . 1 1 62 62 LYS CG C 13 24.731 0.300 . 1 . . . . 62 LYS CG . 10330 1 656 . 1 1 62 62 LYS N N 15 114.544 0.300 . 1 . . . . 62 LYS N . 10330 1 657 . 1 1 63 63 ASP H H 1 7.890 0.030 . 1 . . . . 63 ASP H . 10330 1 658 . 1 1 63 63 ASP HA H 1 4.742 0.030 . 1 . . . . 63 ASP HA . 10330 1 659 . 1 1 63 63 ASP HB2 H 1 2.383 0.030 . 2 . . . . 63 ASP HB2 . 10330 1 660 . 1 1 63 63 ASP HB3 H 1 3.025 0.030 . 2 . . . . 63 ASP HB3 . 10330 1 661 . 1 1 63 63 ASP C C 13 177.329 0.300 . 1 . . . . 63 ASP C . 10330 1 662 . 1 1 63 63 ASP CA C 13 52.211 0.300 . 1 . . . . 63 ASP CA . 10330 1 663 . 1 1 63 63 ASP CB C 13 41.032 0.300 . 1 . . . . 63 ASP CB . 10330 1 664 . 1 1 63 63 ASP N N 15 117.639 0.300 . 1 . . . . 63 ASP N . 10330 1 665 . 1 1 64 64 GLY H H 1 8.806 0.030 . 1 . . . . 64 GLY H . 10330 1 666 . 1 1 64 64 GLY HA2 H 1 4.290 0.030 . 2 . . . . 64 GLY HA2 . 10330 1 667 . 1 1 64 64 GLY HA3 H 1 3.651 0.030 . 2 . . . . 64 GLY HA3 . 10330 1 668 . 1 1 64 64 GLY C C 13 173.487 0.300 . 1 . . . . 64 GLY C . 10330 1 669 . 1 1 64 64 GLY CA C 13 45.310 0.300 . 1 . . . . 64 GLY CA . 10330 1 670 . 1 1 64 64 GLY N N 15 109.138 0.300 . 1 . . . . 64 GLY N . 10330 1 671 . 1 1 65 65 THR H H 1 8.018 0.030 . 1 . . . . 65 THR H . 10330 1 672 . 1 1 65 65 THR HA H 1 5.637 0.030 . 1 . . . . 65 THR HA . 10330 1 673 . 1 1 65 65 THR HB H 1 4.045 0.030 . 1 . . . . 65 THR HB . 10330 1 674 . 1 1 65 65 THR HG21 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 10330 1 675 . 1 1 65 65 THR HG22 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 10330 1 676 . 1 1 65 65 THR HG23 H 1 1.158 0.030 . 1 . . . . 65 THR HG2 . 10330 1 677 . 1 1 65 65 THR C C 13 173.570 0.300 . 1 . . . . 65 THR C . 10330 1 678 . 1 1 65 65 THR CA C 13 59.935 0.300 . 1 . . . . 65 THR CA . 10330 1 679 . 1 1 65 65 THR CB C 13 73.839 0.300 . 1 . . . . 65 THR CB . 10330 1 680 . 1 1 65 65 THR CG2 C 13 21.977 0.300 . 1 . . . . 65 THR CG2 . 10330 1 681 . 1 1 65 65 THR N N 15 110.087 0.300 . 1 . . . . 65 THR N . 10330 1 682 . 1 1 66 66 CYS H H 1 9.177 0.030 . 1 . . . . 66 CYS H . 10330 1 683 . 1 1 66 66 CYS HA H 1 5.427 0.030 . 1 . . . . 66 CYS HA . 10330 1 684 . 1 1 66 66 CYS HB2 H 1 2.695 0.030 . 2 . . . . 66 CYS HB2 . 10330 1 685 . 1 1 66 66 CYS HB3 H 1 2.627 0.030 . 2 . . . . 66 CYS HB3 . 10330 1 686 . 1 1 66 66 CYS C C 13 173.771 0.300 . 1 . . . . 66 CYS C . 10330 1 687 . 1 1 66 66 CYS CA C 13 56.589 0.300 . 1 . . . . 66 CYS CA . 10330 1 688 . 1 1 66 66 CYS CB C 13 31.103 0.300 . 1 . . . . 66 CYS CB . 10330 1 689 . 1 1 66 66 CYS N N 15 116.942 0.300 . 1 . . . . 66 CYS N . 10330 1 690 . 1 1 67 67 THR H H 1 9.120 0.030 . 1 . . . . 67 THR H . 10330 1 691 . 1 1 67 67 THR HA H 1 4.632 0.030 . 1 . . . . 67 THR HA . 10330 1 692 . 1 1 67 67 THR HB H 1 3.859 0.030 . 1 . . . . 67 THR HB . 10330 1 693 . 1 1 67 67 THR HG21 H 1 1.066 0.030 . 1 . . . . 67 THR HG2 . 10330 1 694 . 1 1 67 67 THR HG22 H 1 1.066 0.030 . 1 . . . . 67 THR HG2 . 10330 1 695 . 1 1 67 67 THR HG23 H 1 1.066 0.030 . 1 . . . . 67 THR HG2 . 10330 1 696 . 1 1 67 67 THR C C 13 173.452 0.300 . 1 . . . . 67 THR C . 10330 1 697 . 1 1 67 67 THR CA C 13 62.447 0.300 . 1 . . . . 67 THR CA . 10330 1 698 . 1 1 67 67 THR CB C 13 70.459 0.300 . 1 . . . . 67 THR CB . 10330 1 699 . 1 1 67 67 THR CG2 C 13 22.165 0.300 . 1 . . . . 67 THR CG2 . 10330 1 700 . 1 1 67 67 THR N N 15 121.599 0.300 . 1 . . . . 67 THR N . 10330 1 701 . 1 1 68 68 VAL H H 1 9.104 0.030 . 1 . . . . 68 VAL H . 10330 1 702 . 1 1 68 68 VAL HA H 1 4.532 0.030 . 1 . . . . 68 VAL HA . 10330 1 703 . 1 1 68 68 VAL HB H 1 0.057 0.030 . 1 . . . . 68 VAL HB . 10330 1 704 . 1 1 68 68 VAL HG11 H 1 0.492 0.030 . 1 . . . . 68 VAL HG1 . 10330 1 705 . 1 1 68 68 VAL HG12 H 1 0.492 0.030 . 1 . . . . 68 VAL HG1 . 10330 1 706 . 1 1 68 68 VAL HG13 H 1 0.492 0.030 . 1 . . . . 68 VAL HG1 . 10330 1 707 . 1 1 68 68 VAL HG21 H 1 0.475 0.030 . 1 . . . . 68 VAL HG2 . 10330 1 708 . 1 1 68 68 VAL HG22 H 1 0.475 0.030 . 1 . . . . 68 VAL HG2 . 10330 1 709 . 1 1 68 68 VAL HG23 H 1 0.475 0.030 . 1 . . . . 68 VAL HG2 . 10330 1 710 . 1 1 68 68 VAL C C 13 173.643 0.300 . 1 . . . . 68 VAL C . 10330 1 711 . 1 1 68 68 VAL CA C 13 60.343 0.300 . 1 . . . . 68 VAL CA . 10330 1 712 . 1 1 68 68 VAL CB C 13 32.695 0.300 . 1 . . . . 68 VAL CB . 10330 1 713 . 1 1 68 68 VAL CG1 C 13 23.050 0.300 . 2 . . . . 68 VAL CG1 . 10330 1 714 . 1 1 68 68 VAL CG2 C 13 22.210 0.300 . 2 . . . . 68 VAL CG2 . 10330 1 715 . 1 1 68 68 VAL N N 15 131.876 0.300 . 1 . . . . 68 VAL N . 10330 1 716 . 1 1 69 69 SER H H 1 8.593 0.030 . 1 . . . . 69 SER H . 10330 1 717 . 1 1 69 69 SER HA H 1 5.548 0.030 . 1 . . . . 69 SER HA . 10330 1 718 . 1 1 69 69 SER HB2 H 1 3.464 0.030 . 2 . . . . 69 SER HB2 . 10330 1 719 . 1 1 69 69 SER HB3 H 1 3.340 0.030 . 2 . . . . 69 SER HB3 . 10330 1 720 . 1 1 69 69 SER C C 13 172.815 0.300 . 1 . . . . 69 SER C . 10330 1 721 . 1 1 69 69 SER CA C 13 55.908 0.300 . 1 . . . . 69 SER CA . 10330 1 722 . 1 1 69 69 SER CB C 13 66.088 0.300 . 1 . . . . 69 SER CB . 10330 1 723 . 1 1 69 69 SER N N 15 118.958 0.300 . 1 . . . . 69 SER N . 10330 1 724 . 1 1 70 70 TYR H H 1 8.884 0.030 . 1 . . . . 70 TYR H . 10330 1 725 . 1 1 70 70 TYR HA H 1 5.801 0.030 . 1 . . . . 70 TYR HA . 10330 1 726 . 1 1 70 70 TYR HB2 H 1 2.523 0.030 . 2 . . . . 70 TYR HB2 . 10330 1 727 . 1 1 70 70 TYR HB3 H 1 2.622 0.030 . 2 . . . . 70 TYR HB3 . 10330 1 728 . 1 1 70 70 TYR HD1 H 1 6.435 0.030 . 1 . . . . 70 TYR HD1 . 10330 1 729 . 1 1 70 70 TYR HD2 H 1 6.435 0.030 . 1 . . . . 70 TYR HD2 . 10330 1 730 . 1 1 70 70 TYR HE1 H 1 5.994 0.030 . 1 . . . . 70 TYR HE1 . 10330 1 731 . 1 1 70 70 TYR HE2 H 1 5.994 0.030 . 1 . . . . 70 TYR HE2 . 10330 1 732 . 1 1 70 70 TYR C C 13 173.188 0.300 . 1 . . . . 70 TYR C . 10330 1 733 . 1 1 70 70 TYR CA C 13 54.995 0.300 . 1 . . . . 70 TYR CA . 10330 1 734 . 1 1 70 70 TYR CB C 13 41.682 0.300 . 1 . . . . 70 TYR CB . 10330 1 735 . 1 1 70 70 TYR CD1 C 13 132.444 0.300 . 1 . . . . 70 TYR CD1 . 10330 1 736 . 1 1 70 70 TYR CD2 C 13 132.444 0.300 . 1 . . . . 70 TYR CD2 . 10330 1 737 . 1 1 70 70 TYR CE1 C 13 116.893 0.300 . 1 . . . . 70 TYR CE1 . 10330 1 738 . 1 1 70 70 TYR CE2 C 13 116.893 0.300 . 1 . . . . 70 TYR CE2 . 10330 1 739 . 1 1 70 70 TYR N N 15 120.331 0.300 . 1 . . . . 70 TYR N . 10330 1 740 . 1 1 71 71 LEU H H 1 7.501 0.030 . 1 . . . . 71 LEU H . 10330 1 741 . 1 1 71 71 LEU HA H 1 4.968 0.030 . 1 . . . . 71 LEU HA . 10330 1 742 . 1 1 71 71 LEU HB2 H 1 1.935 0.030 . 2 . . . . 71 LEU HB2 . 10330 1 743 . 1 1 71 71 LEU HB3 H 1 1.164 0.030 . 2 . . . . 71 LEU HB3 . 10330 1 744 . 1 1 71 71 LEU HD11 H 1 0.463 0.030 . 1 . . . . 71 LEU HD1 . 10330 1 745 . 1 1 71 71 LEU HD12 H 1 0.463 0.030 . 1 . . . . 71 LEU HD1 . 10330 1 746 . 1 1 71 71 LEU HD13 H 1 0.463 0.030 . 1 . . . . 71 LEU HD1 . 10330 1 747 . 1 1 71 71 LEU HD21 H 1 0.655 0.030 . 1 . . . . 71 LEU HD2 . 10330 1 748 . 1 1 71 71 LEU HD22 H 1 0.655 0.030 . 1 . . . . 71 LEU HD2 . 10330 1 749 . 1 1 71 71 LEU HD23 H 1 0.655 0.030 . 1 . . . . 71 LEU HD2 . 10330 1 750 . 1 1 71 71 LEU HG H 1 1.241 0.030 . 1 . . . . 71 LEU HG . 10330 1 751 . 1 1 71 71 LEU C C 13 173.143 0.300 . 1 . . . . 71 LEU C . 10330 1 752 . 1 1 71 71 LEU CA C 13 50.441 0.300 . 1 . . . . 71 LEU CA . 10330 1 753 . 1 1 71 71 LEU CB C 13 42.881 0.300 . 1 . . . . 71 LEU CB . 10330 1 754 . 1 1 71 71 LEU CD1 C 13 23.211 0.300 . 2 . . . . 71 LEU CD1 . 10330 1 755 . 1 1 71 71 LEU CD2 C 13 24.738 0.300 . 2 . . . . 71 LEU CD2 . 10330 1 756 . 1 1 71 71 LEU CG C 13 27.659 0.300 . 1 . . . . 71 LEU CG . 10330 1 757 . 1 1 71 71 LEU N N 15 122.218 0.300 . 1 . . . . 71 LEU N . 10330 1 758 . 1 1 72 72 PRO HA H 1 4.517 0.030 . 1 . . . . 72 PRO HA . 10330 1 759 . 1 1 72 72 PRO HB2 H 1 1.668 0.030 . 2 . . . . 72 PRO HB2 . 10330 1 760 . 1 1 72 72 PRO HB3 H 1 1.253 0.030 . 2 . . . . 72 PRO HB3 . 10330 1 761 . 1 1 72 72 PRO HD2 H 1 4.118 0.030 . 2 . . . . 72 PRO HD2 . 10330 1 762 . 1 1 72 72 PRO HD3 H 1 3.430 0.030 . 2 . . . . 72 PRO HD3 . 10330 1 763 . 1 1 72 72 PRO HG2 H 1 1.509 0.030 . 2 . . . . 72 PRO HG2 . 10330 1 764 . 1 1 72 72 PRO HG3 H 1 2.118 0.030 . 2 . . . . 72 PRO HG3 . 10330 1 765 . 1 1 72 72 PRO C C 13 177.779 0.300 . 1 . . . . 72 PRO C . 10330 1 766 . 1 1 72 72 PRO CA C 13 62.028 0.300 . 1 . . . . 72 PRO CA . 10330 1 767 . 1 1 72 72 PRO CB C 13 32.695 0.300 . 1 . . . . 72 PRO CB . 10330 1 768 . 1 1 72 72 PRO CD C 13 50.223 0.300 . 1 . . . . 72 PRO CD . 10330 1 769 . 1 1 72 72 PRO CG C 13 26.828 0.300 . 1 . . . . 72 PRO CG . 10330 1 770 . 1 1 73 73 THR H H 1 8.517 0.030 . 1 . . . . 73 THR H . 10330 1 771 . 1 1 73 73 THR HA H 1 4.475 0.030 . 1 . . . . 73 THR HA . 10330 1 772 . 1 1 73 73 THR HB H 1 4.610 0.030 . 1 . . . . 73 THR HB . 10330 1 773 . 1 1 73 73 THR HG21 H 1 1.175 0.030 . 1 . . . . 73 THR HG2 . 10330 1 774 . 1 1 73 73 THR HG22 H 1 1.175 0.030 . 1 . . . . 73 THR HG2 . 10330 1 775 . 1 1 73 73 THR HG23 H 1 1.175 0.030 . 1 . . . . 73 THR HG2 . 10330 1 776 . 1 1 73 73 THR C C 13 173.285 0.300 . 1 . . . . 73 THR C . 10330 1 777 . 1 1 73 73 THR CA C 13 61.209 0.300 . 1 . . . . 73 THR CA . 10330 1 778 . 1 1 73 73 THR CB C 13 68.953 0.300 . 1 . . . . 73 THR CB . 10330 1 779 . 1 1 73 73 THR CG2 C 13 20.952 0.300 . 1 . . . . 73 THR CG2 . 10330 1 780 . 1 1 73 73 THR N N 15 110.743 0.300 . 1 . . . . 73 THR N . 10330 1 781 . 1 1 74 74 ALA H H 1 7.028 0.030 . 1 . . . . 74 ALA H . 10330 1 782 . 1 1 74 74 ALA HA H 1 4.890 0.030 . 1 . . . . 74 ALA HA . 10330 1 783 . 1 1 74 74 ALA HB1 H 1 1.315 0.030 . 1 . . . . 74 ALA HB . 10330 1 784 . 1 1 74 74 ALA HB2 H 1 1.315 0.030 . 1 . . . . 74 ALA HB . 10330 1 785 . 1 1 74 74 ALA HB3 H 1 1.315 0.030 . 1 . . . . 74 ALA HB . 10330 1 786 . 1 1 74 74 ALA C C 13 174.989 0.300 . 1 . . . . 74 ALA C . 10330 1 787 . 1 1 74 74 ALA CA C 13 49.562 0.300 . 1 . . . . 74 ALA CA . 10330 1 788 . 1 1 74 74 ALA CB C 13 21.088 0.300 . 1 . . . . 74 ALA CB . 10330 1 789 . 1 1 74 74 ALA N N 15 120.850 0.300 . 1 . . . . 74 ALA N . 10330 1 790 . 1 1 75 75 PRO HA H 1 4.285 0.030 . 1 . . . . 75 PRO HA . 10330 1 791 . 1 1 75 75 PRO HB2 H 1 2.114 0.030 . 2 . . . . 75 PRO HB2 . 10330 1 792 . 1 1 75 75 PRO HB3 H 1 1.955 0.030 . 2 . . . . 75 PRO HB3 . 10330 1 793 . 1 1 75 75 PRO HD2 H 1 3.746 0.030 . 1 . . . . 75 PRO HD2 . 10330 1 794 . 1 1 75 75 PRO HD3 H 1 3.746 0.030 . 1 . . . . 75 PRO HD3 . 10330 1 795 . 1 1 75 75 PRO HG2 H 1 2.093 0.030 . 2 . . . . 75 PRO HG2 . 10330 1 796 . 1 1 75 75 PRO HG3 H 1 1.981 0.030 . 2 . . . . 75 PRO HG3 . 10330 1 797 . 1 1 75 75 PRO C C 13 174.230 0.300 . 1 . . . . 75 PRO C . 10330 1 798 . 1 1 75 75 PRO CA C 13 62.723 0.300 . 1 . . . . 75 PRO CA . 10330 1 799 . 1 1 75 75 PRO CB C 13 32.536 0.300 . 1 . . . . 75 PRO CB . 10330 1 800 . 1 1 75 75 PRO CD C 13 50.566 0.300 . 1 . . . . 75 PRO CD . 10330 1 801 . 1 1 75 75 PRO CG C 13 26.832 0.300 . 1 . . . . 75 PRO CG . 10330 1 802 . 1 1 76 76 GLY H H 1 8.908 0.030 . 1 . . . . 76 GLY H . 10330 1 803 . 1 1 76 76 GLY HA2 H 1 4.497 0.030 . 2 . . . . 76 GLY HA2 . 10330 1 804 . 1 1 76 76 GLY HA3 H 1 3.790 0.030 . 2 . . . . 76 GLY HA3 . 10330 1 805 . 1 1 76 76 GLY C C 13 171.706 0.300 . 1 . . . . 76 GLY C . 10330 1 806 . 1 1 76 76 GLY CA C 13 44.361 0.300 . 1 . . . . 76 GLY CA . 10330 1 807 . 1 1 76 76 GLY N N 15 106.202 0.300 . 1 . . . . 76 GLY N . 10330 1 808 . 1 1 77 77 ASP H H 1 8.271 0.030 . 1 . . . . 77 ASP H . 10330 1 809 . 1 1 77 77 ASP HA H 1 5.499 0.030 . 1 . . . . 77 ASP HA . 10330 1 810 . 1 1 77 77 ASP HB2 H 1 2.434 0.030 . 2 . . . . 77 ASP HB2 . 10330 1 811 . 1 1 77 77 ASP HB3 H 1 2.284 0.030 . 2 . . . . 77 ASP HB3 . 10330 1 812 . 1 1 77 77 ASP C C 13 175.988 0.300 . 1 . . . . 77 ASP C . 10330 1 813 . 1 1 77 77 ASP CA C 13 53.551 0.300 . 1 . . . . 77 ASP CA . 10330 1 814 . 1 1 77 77 ASP CB C 13 40.888 0.300 . 1 . . . . 77 ASP CB . 10330 1 815 . 1 1 77 77 ASP N N 15 120.783 0.300 . 1 . . . . 77 ASP N . 10330 1 816 . 1 1 78 78 TYR H H 1 9.602 0.030 . 1 . . . . 78 TYR H . 10330 1 817 . 1 1 78 78 TYR HA H 1 4.960 0.030 . 1 . . . . 78 TYR HA . 10330 1 818 . 1 1 78 78 TYR HB2 H 1 2.773 0.030 . 2 . . . . 78 TYR HB2 . 10330 1 819 . 1 1 78 78 TYR HB3 H 1 2.425 0.030 . 2 . . . . 78 TYR HB3 . 10330 1 820 . 1 1 78 78 TYR HD1 H 1 7.095 0.030 . 1 . . . . 78 TYR HD1 . 10330 1 821 . 1 1 78 78 TYR HD2 H 1 7.095 0.030 . 1 . . . . 78 TYR HD2 . 10330 1 822 . 1 1 78 78 TYR HE1 H 1 6.804 0.030 . 1 . . . . 78 TYR HE1 . 10330 1 823 . 1 1 78 78 TYR HE2 H 1 6.804 0.030 . 1 . . . . 78 TYR HE2 . 10330 1 824 . 1 1 78 78 TYR C C 13 174.590 0.300 . 1 . . . . 78 TYR C . 10330 1 825 . 1 1 78 78 TYR CA C 13 56.474 0.300 . 1 . . . . 78 TYR CA . 10330 1 826 . 1 1 78 78 TYR CB C 13 40.476 0.300 . 1 . . . . 78 TYR CB . 10330 1 827 . 1 1 78 78 TYR CD1 C 13 134.208 0.300 . 1 . . . . 78 TYR CD1 . 10330 1 828 . 1 1 78 78 TYR CD2 C 13 134.208 0.300 . 1 . . . . 78 TYR CD2 . 10330 1 829 . 1 1 78 78 TYR CE1 C 13 116.228 0.300 . 1 . . . . 78 TYR CE1 . 10330 1 830 . 1 1 78 78 TYR CE2 C 13 116.228 0.300 . 1 . . . . 78 TYR CE2 . 10330 1 831 . 1 1 78 78 TYR N N 15 123.547 0.300 . 1 . . . . 78 TYR N . 10330 1 832 . 1 1 79 79 SER H H 1 9.250 0.030 . 1 . . . . 79 SER H . 10330 1 833 . 1 1 79 79 SER HA H 1 5.352 0.030 . 1 . . . . 79 SER HA . 10330 1 834 . 1 1 79 79 SER HB2 H 1 3.698 0.030 . 1 . . . . 79 SER HB2 . 10330 1 835 . 1 1 79 79 SER HB3 H 1 3.698 0.030 . 1 . . . . 79 SER HB3 . 10330 1 836 . 1 1 79 79 SER C C 13 173.371 0.300 . 1 . . . . 79 SER C . 10330 1 837 . 1 1 79 79 SER CA C 13 56.585 0.300 . 1 . . . . 79 SER CA . 10330 1 838 . 1 1 79 79 SER CB C 13 64.468 0.300 . 1 . . . . 79 SER CB . 10330 1 839 . 1 1 79 79 SER N N 15 117.580 0.300 . 1 . . . . 79 SER N . 10330 1 840 . 1 1 80 80 ILE H H 1 9.559 0.030 . 1 . . . . 80 ILE H . 10330 1 841 . 1 1 80 80 ILE HA H 1 4.503 0.030 . 1 . . . . 80 ILE HA . 10330 1 842 . 1 1 80 80 ILE HB H 1 1.909 0.030 . 1 . . . . 80 ILE HB . 10330 1 843 . 1 1 80 80 ILE HD11 H 1 0.519 0.030 . 1 . . . . 80 ILE HD1 . 10330 1 844 . 1 1 80 80 ILE HD12 H 1 0.519 0.030 . 1 . . . . 80 ILE HD1 . 10330 1 845 . 1 1 80 80 ILE HD13 H 1 0.519 0.030 . 1 . . . . 80 ILE HD1 . 10330 1 846 . 1 1 80 80 ILE HG12 H 1 1.087 0.030 . 2 . . . . 80 ILE HG12 . 10330 1 847 . 1 1 80 80 ILE HG13 H 1 0.922 0.030 . 2 . . . . 80 ILE HG13 . 10330 1 848 . 1 1 80 80 ILE HG21 H 1 0.511 0.030 . 1 . . . . 80 ILE HG2 . 10330 1 849 . 1 1 80 80 ILE HG22 H 1 0.511 0.030 . 1 . . . . 80 ILE HG2 . 10330 1 850 . 1 1 80 80 ILE HG23 H 1 0.511 0.030 . 1 . . . . 80 ILE HG2 . 10330 1 851 . 1 1 80 80 ILE C C 13 174.647 0.300 . 1 . . . . 80 ILE C . 10330 1 852 . 1 1 80 80 ILE CA C 13 60.645 0.300 . 1 . . . . 80 ILE CA . 10330 1 853 . 1 1 80 80 ILE CB C 13 38.333 0.300 . 1 . . . . 80 ILE CB . 10330 1 854 . 1 1 80 80 ILE CD1 C 13 14.494 0.300 . 1 . . . . 80 ILE CD1 . 10330 1 855 . 1 1 80 80 ILE CG1 C 13 28.333 0.300 . 1 . . . . 80 ILE CG1 . 10330 1 856 . 1 1 80 80 ILE CG2 C 13 18.701 0.300 . 1 . . . . 80 ILE CG2 . 10330 1 857 . 1 1 80 80 ILE N N 15 128.178 0.300 . 1 . . . . 80 ILE N . 10330 1 858 . 1 1 81 81 ILE H H 1 9.249 0.030 . 1 . . . . 81 ILE H . 10330 1 859 . 1 1 81 81 ILE HA H 1 4.326 0.030 . 1 . . . . 81 ILE HA . 10330 1 860 . 1 1 81 81 ILE HB H 1 1.755 0.030 . 1 . . . . 81 ILE HB . 10330 1 861 . 1 1 81 81 ILE HD11 H 1 0.789 0.030 . 1 . . . . 81 ILE HD1 . 10330 1 862 . 1 1 81 81 ILE HD12 H 1 0.789 0.030 . 1 . . . . 81 ILE HD1 . 10330 1 863 . 1 1 81 81 ILE HD13 H 1 0.789 0.030 . 1 . . . . 81 ILE HD1 . 10330 1 864 . 1 1 81 81 ILE HG12 H 1 1.459 0.030 . 2 . . . . 81 ILE HG12 . 10330 1 865 . 1 1 81 81 ILE HG13 H 1 1.055 0.030 . 2 . . . . 81 ILE HG13 . 10330 1 866 . 1 1 81 81 ILE HG21 H 1 0.790 0.030 . 1 . . . . 81 ILE HG2 . 10330 1 867 . 1 1 81 81 ILE HG22 H 1 0.790 0.030 . 1 . . . . 81 ILE HG2 . 10330 1 868 . 1 1 81 81 ILE HG23 H 1 0.790 0.030 . 1 . . . . 81 ILE HG2 . 10330 1 869 . 1 1 81 81 ILE C C 13 175.282 0.300 . 1 . . . . 81 ILE C . 10330 1 870 . 1 1 81 81 ILE CA C 13 61.479 0.300 . 1 . . . . 81 ILE CA . 10330 1 871 . 1 1 81 81 ILE CB C 13 39.637 0.300 . 1 . . . . 81 ILE CB . 10330 1 872 . 1 1 81 81 ILE CD1 C 13 14.738 0.300 . 1 . . . . 81 ILE CD1 . 10330 1 873 . 1 1 81 81 ILE CG1 C 13 29.546 0.300 . 1 . . . . 81 ILE CG1 . 10330 1 874 . 1 1 81 81 ILE CG2 C 13 19.173 0.300 . 1 . . . . 81 ILE CG2 . 10330 1 875 . 1 1 81 81 ILE N N 15 129.723 0.300 . 1 . . . . 81 ILE N . 10330 1 876 . 1 1 82 82 VAL H H 1 9.082 0.030 . 1 . . . . 82 VAL H . 10330 1 877 . 1 1 82 82 VAL HA H 1 4.682 0.030 . 1 . . . . 82 VAL HA . 10330 1 878 . 1 1 82 82 VAL HB H 1 2.144 0.030 . 1 . . . . 82 VAL HB . 10330 1 879 . 1 1 82 82 VAL HG11 H 1 0.906 0.030 . 1 . . . . 82 VAL HG1 . 10330 1 880 . 1 1 82 82 VAL HG12 H 1 0.906 0.030 . 1 . . . . 82 VAL HG1 . 10330 1 881 . 1 1 82 82 VAL HG13 H 1 0.906 0.030 . 1 . . . . 82 VAL HG1 . 10330 1 882 . 1 1 82 82 VAL HG21 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 10330 1 883 . 1 1 82 82 VAL HG22 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 10330 1 884 . 1 1 82 82 VAL HG23 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 10330 1 885 . 1 1 82 82 VAL C C 13 173.971 0.300 . 1 . . . . 82 VAL C . 10330 1 886 . 1 1 82 82 VAL CA C 13 61.209 0.300 . 1 . . . . 82 VAL CA . 10330 1 887 . 1 1 82 82 VAL CB C 13 33.856 0.300 . 1 . . . . 82 VAL CB . 10330 1 888 . 1 1 82 82 VAL CG1 C 13 22.151 0.300 . 2 . . . . 82 VAL CG1 . 10330 1 889 . 1 1 82 82 VAL CG2 C 13 19.996 0.300 . 2 . . . . 82 VAL CG2 . 10330 1 890 . 1 1 82 82 VAL N N 15 127.179 0.300 . 1 . . . . 82 VAL N . 10330 1 891 . 1 1 83 83 ARG H H 1 8.692 0.030 . 1 . . . . 83 ARG H . 10330 1 892 . 1 1 83 83 ARG HA H 1 5.095 0.030 . 1 . . . . 83 ARG HA . 10330 1 893 . 1 1 83 83 ARG HB2 H 1 1.534 0.030 . 2 . . . . 83 ARG HB2 . 10330 1 894 . 1 1 83 83 ARG HB3 H 1 1.014 0.030 . 2 . . . . 83 ARG HB3 . 10330 1 895 . 1 1 83 83 ARG HD2 H 1 2.568 0.030 . 2 . . . . 83 ARG HD2 . 10330 1 896 . 1 1 83 83 ARG HD3 H 1 2.461 0.030 . 2 . . . . 83 ARG HD3 . 10330 1 897 . 1 1 83 83 ARG HG2 H 1 0.524 0.030 . 2 . . . . 83 ARG HG2 . 10330 1 898 . 1 1 83 83 ARG HG3 H 1 1.029 0.030 . 2 . . . . 83 ARG HG3 . 10330 1 899 . 1 1 83 83 ARG C C 13 174.638 0.300 . 1 . . . . 83 ARG C . 10330 1 900 . 1 1 83 83 ARG CA C 13 53.499 0.300 . 1 . . . . 83 ARG CA . 10330 1 901 . 1 1 83 83 ARG CB C 13 33.988 0.300 . 1 . . . . 83 ARG CB . 10330 1 902 . 1 1 83 83 ARG CD C 13 43.348 0.300 . 1 . . . . 83 ARG CD . 10330 1 903 . 1 1 83 83 ARG CG C 13 27.142 0.300 . 1 . . . . 83 ARG CG . 10330 1 904 . 1 1 83 83 ARG N N 15 123.578 0.300 . 1 . . . . 83 ARG N . 10330 1 905 . 1 1 84 84 PHE H H 1 8.979 0.030 . 1 . . . . 84 PHE H . 10330 1 906 . 1 1 84 84 PHE HA H 1 5.171 0.030 . 1 . . . . 84 PHE HA . 10330 1 907 . 1 1 84 84 PHE HB2 H 1 2.921 0.030 . 2 . . . . 84 PHE HB2 . 10330 1 908 . 1 1 84 84 PHE HB3 H 1 2.538 0.030 . 2 . . . . 84 PHE HB3 . 10330 1 909 . 1 1 84 84 PHE HD1 H 1 6.942 0.030 . 1 . . . . 84 PHE HD1 . 10330 1 910 . 1 1 84 84 PHE HD2 H 1 6.942 0.030 . 1 . . . . 84 PHE HD2 . 10330 1 911 . 1 1 84 84 PHE HE1 H 1 7.148 0.030 . 1 . . . . 84 PHE HE1 . 10330 1 912 . 1 1 84 84 PHE HE2 H 1 7.148 0.030 . 1 . . . . 84 PHE HE2 . 10330 1 913 . 1 1 84 84 PHE HZ H 1 7.175 0.030 . 1 . . . . 84 PHE HZ . 10330 1 914 . 1 1 84 84 PHE C C 13 176.179 0.300 . 1 . . . . 84 PHE C . 10330 1 915 . 1 1 84 84 PHE CA C 13 56.392 0.300 . 1 . . . . 84 PHE CA . 10330 1 916 . 1 1 84 84 PHE CB C 13 42.821 0.300 . 1 . . . . 84 PHE CB . 10330 1 917 . 1 1 84 84 PHE CD1 C 13 131.154 0.300 . 1 . . . . 84 PHE CD1 . 10330 1 918 . 1 1 84 84 PHE CD2 C 13 131.154 0.300 . 1 . . . . 84 PHE CD2 . 10330 1 919 . 1 1 84 84 PHE CE1 C 13 131.378 0.300 . 1 . . . . 84 PHE CE1 . 10330 1 920 . 1 1 84 84 PHE CE2 C 13 131.378 0.300 . 1 . . . . 84 PHE CE2 . 10330 1 921 . 1 1 84 84 PHE CZ C 13 130.390 0.300 . 1 . . . . 84 PHE CZ . 10330 1 922 . 1 1 84 84 PHE N N 15 121.095 0.300 . 1 . . . . 84 PHE N . 10330 1 923 . 1 1 85 85 ASP H H 1 9.015 0.030 . 1 . . . . 85 ASP H . 10330 1 924 . 1 1 85 85 ASP HA H 1 4.075 0.030 . 1 . . . . 85 ASP HA . 10330 1 925 . 1 1 85 85 ASP HB2 H 1 2.920 0.030 . 2 . . . . 85 ASP HB2 . 10330 1 926 . 1 1 85 85 ASP HB3 H 1 2.157 0.030 . 2 . . . . 85 ASP HB3 . 10330 1 927 . 1 1 85 85 ASP C C 13 175.042 0.300 . 1 . . . . 85 ASP C . 10330 1 928 . 1 1 85 85 ASP CA C 13 55.649 0.300 . 1 . . . . 85 ASP CA . 10330 1 929 . 1 1 85 85 ASP CB C 13 39.422 0.300 . 1 . . . . 85 ASP CB . 10330 1 930 . 1 1 85 85 ASP N N 15 129.964 0.300 . 1 . . . . 85 ASP N . 10330 1 931 . 1 1 86 86 ASP H H 1 8.729 0.030 . 1 . . . . 86 ASP H . 10330 1 932 . 1 1 86 86 ASP HA H 1 3.928 0.030 . 1 . . . . 86 ASP HA . 10330 1 933 . 1 1 86 86 ASP HB2 H 1 2.832 0.030 . 2 . . . . 86 ASP HB2 . 10330 1 934 . 1 1 86 86 ASP HB3 H 1 2.728 0.030 . 2 . . . . 86 ASP HB3 . 10330 1 935 . 1 1 86 86 ASP C C 13 174.940 0.300 . 1 . . . . 86 ASP C . 10330 1 936 . 1 1 86 86 ASP CA C 13 56.148 0.300 . 1 . . . . 86 ASP CA . 10330 1 937 . 1 1 86 86 ASP CB C 13 40.220 0.300 . 1 . . . . 86 ASP CB . 10330 1 938 . 1 1 86 86 ASP N N 15 109.005 0.300 . 1 . . . . 86 ASP N . 10330 1 939 . 1 1 87 87 LYS H H 1 7.551 0.030 . 1 . . . . 87 LYS H . 10330 1 940 . 1 1 87 87 LYS HA H 1 4.660 0.030 . 1 . . . . 87 LYS HA . 10330 1 941 . 1 1 87 87 LYS HB2 H 1 1.882 0.030 . 2 . . . . 87 LYS HB2 . 10330 1 942 . 1 1 87 87 LYS HB3 H 1 1.821 0.030 . 2 . . . . 87 LYS HB3 . 10330 1 943 . 1 1 87 87 LYS HD2 H 1 1.765 0.030 . 2 . . . . 87 LYS HD2 . 10330 1 944 . 1 1 87 87 LYS HD3 H 1 1.700 0.030 . 2 . . . . 87 LYS HD3 . 10330 1 945 . 1 1 87 87 LYS HE2 H 1 3.074 0.030 . 1 . . . . 87 LYS HE2 . 10330 1 946 . 1 1 87 87 LYS HE3 H 1 3.074 0.030 . 1 . . . . 87 LYS HE3 . 10330 1 947 . 1 1 87 87 LYS HG2 H 1 1.475 0.030 . 1 . . . . 87 LYS HG2 . 10330 1 948 . 1 1 87 87 LYS HG3 H 1 1.475 0.030 . 1 . . . . 87 LYS HG3 . 10330 1 949 . 1 1 87 87 LYS C C 13 176.569 0.300 . 1 . . . . 87 LYS C . 10330 1 950 . 1 1 87 87 LYS CA C 13 54.617 0.300 . 1 . . . . 87 LYS CA . 10330 1 951 . 1 1 87 87 LYS CB C 13 34.735 0.300 . 1 . . . . 87 LYS CB . 10330 1 952 . 1 1 87 87 LYS CD C 13 28.960 0.300 . 1 . . . . 87 LYS CD . 10330 1 953 . 1 1 87 87 LYS CE C 13 42.299 0.300 . 1 . . . . 87 LYS CE . 10330 1 954 . 1 1 87 87 LYS CG C 13 24.484 0.300 . 1 . . . . 87 LYS CG . 10330 1 955 . 1 1 87 87 LYS N N 15 119.885 0.300 . 1 . . . . 87 LYS N . 10330 1 956 . 1 1 88 88 HIS H H 1 8.609 0.030 . 1 . . . . 88 HIS H . 10330 1 957 . 1 1 88 88 HIS HA H 1 4.481 0.030 . 1 . . . . 88 HIS HA . 10330 1 958 . 1 1 88 88 HIS HB2 H 1 2.824 0.030 . 2 . . . . 88 HIS HB2 . 10330 1 959 . 1 1 88 88 HIS HB3 H 1 3.163 0.030 . 2 . . . . 88 HIS HB3 . 10330 1 960 . 1 1 88 88 HIS HD2 H 1 7.137 0.030 . 1 . . . . 88 HIS HD2 . 10330 1 961 . 1 1 88 88 HIS HE1 H 1 7.435 0.030 . 1 . . . . 88 HIS HE1 . 10330 1 962 . 1 1 88 88 HIS C C 13 177.965 0.300 . 1 . . . . 88 HIS C . 10330 1 963 . 1 1 88 88 HIS CA C 13 58.738 0.300 . 1 . . . . 88 HIS CA . 10330 1 964 . 1 1 88 88 HIS CB C 13 32.214 0.300 . 1 . . . . 88 HIS CB . 10330 1 965 . 1 1 88 88 HIS CD2 C 13 118.151 0.300 . 1 . . . . 88 HIS CD2 . 10330 1 966 . 1 1 88 88 HIS CE1 C 13 137.966 0.300 . 1 . . . . 88 HIS CE1 . 10330 1 967 . 1 1 88 88 HIS N N 15 123.085 0.300 . 1 . . . . 88 HIS N . 10330 1 968 . 1 1 89 89 ILE H H 1 8.293 0.030 . 1 . . . . 89 ILE H . 10330 1 969 . 1 1 89 89 ILE HA H 1 4.655 0.030 . 1 . . . . 89 ILE HA . 10330 1 970 . 1 1 89 89 ILE HB H 1 2.204 0.030 . 1 . . . . 89 ILE HB . 10330 1 971 . 1 1 89 89 ILE HD11 H 1 0.891 0.030 . 1 . . . . 89 ILE HD1 . 10330 1 972 . 1 1 89 89 ILE HD12 H 1 0.891 0.030 . 1 . . . . 89 ILE HD1 . 10330 1 973 . 1 1 89 89 ILE HD13 H 1 0.891 0.030 . 1 . . . . 89 ILE HD1 . 10330 1 974 . 1 1 89 89 ILE HG12 H 1 1.425 0.030 . 1 . . . . 89 ILE HG12 . 10330 1 975 . 1 1 89 89 ILE HG13 H 1 1.425 0.030 . 1 . . . . 89 ILE HG13 . 10330 1 976 . 1 1 89 89 ILE HG21 H 1 0.958 0.030 . 1 . . . . 89 ILE HG2 . 10330 1 977 . 1 1 89 89 ILE HG22 H 1 0.958 0.030 . 1 . . . . 89 ILE HG2 . 10330 1 978 . 1 1 89 89 ILE HG23 H 1 0.958 0.030 . 1 . . . . 89 ILE HG2 . 10330 1 979 . 1 1 89 89 ILE C C 13 173.458 0.300 . 1 . . . . 89 ILE C . 10330 1 980 . 1 1 89 89 ILE CA C 13 60.736 0.300 . 1 . . . . 89 ILE CA . 10330 1 981 . 1 1 89 89 ILE CB C 13 35.465 0.300 . 1 . . . . 89 ILE CB . 10330 1 982 . 1 1 89 89 ILE CD1 C 13 15.630 0.300 . 1 . . . . 89 ILE CD1 . 10330 1 983 . 1 1 89 89 ILE CG1 C 13 25.072 0.300 . 1 . . . . 89 ILE CG1 . 10330 1 984 . 1 1 89 89 ILE CG2 C 13 18.121 0.300 . 1 . . . . 89 ILE CG2 . 10330 1 985 . 1 1 89 89 ILE N N 15 119.622 0.300 . 1 . . . . 89 ILE N . 10330 1 986 . 1 1 90 90 PRO HA H 1 4.228 0.030 . 1 . . . . 90 PRO HA . 10330 1 987 . 1 1 90 90 PRO HB2 H 1 2.282 0.030 . 2 . . . . 90 PRO HB2 . 10330 1 988 . 1 1 90 90 PRO HB3 H 1 1.972 0.030 . 2 . . . . 90 PRO HB3 . 10330 1 989 . 1 1 90 90 PRO HD2 H 1 3.775 0.030 . 2 . . . . 90 PRO HD2 . 10330 1 990 . 1 1 90 90 PRO HD3 H 1 4.013 0.030 . 2 . . . . 90 PRO HD3 . 10330 1 991 . 1 1 90 90 PRO HG2 H 1 2.181 0.030 . 2 . . . . 90 PRO HG2 . 10330 1 992 . 1 1 90 90 PRO HG3 H 1 1.937 0.030 . 2 . . . . 90 PRO HG3 . 10330 1 993 . 1 1 90 90 PRO C C 13 176.779 0.300 . 1 . . . . 90 PRO C . 10330 1 994 . 1 1 90 90 PRO CA C 13 65.278 0.300 . 1 . . . . 90 PRO CA . 10330 1 995 . 1 1 90 90 PRO CB C 13 31.043 0.300 . 1 . . . . 90 PRO CB . 10330 1 996 . 1 1 90 90 PRO CD C 13 50.657 0.300 . 1 . . . . 90 PRO CD . 10330 1 997 . 1 1 90 90 PRO CG C 13 28.424 0.300 . 1 . . . . 90 PRO CG . 10330 1 998 . 1 1 91 91 GLY H H 1 8.166 0.030 . 1 . . . . 91 GLY H . 10330 1 999 . 1 1 91 91 GLY HA2 H 1 3.081 0.030 . 2 . . . . 91 GLY HA2 . 10330 1 1000 . 1 1 91 91 GLY HA3 H 1 4.133 0.030 . 2 . . . . 91 GLY HA3 . 10330 1 1001 . 1 1 91 91 GLY C C 13 172.074 0.300 . 1 . . . . 91 GLY C . 10330 1 1002 . 1 1 91 91 GLY CA C 13 44.612 0.300 . 1 . . . . 91 GLY CA . 10330 1 1003 . 1 1 91 91 GLY N N 15 114.356 0.300 . 1 . . . . 91 GLY N . 10330 1 1004 . 1 1 92 92 SER H H 1 7.609 0.030 . 1 . . . . 92 SER H . 10330 1 1005 . 1 1 92 92 SER HA H 1 4.107 0.030 . 1 . . . . 92 SER HA . 10330 1 1006 . 1 1 92 92 SER HB2 H 1 3.703 0.030 . 2 . . . . 92 SER HB2 . 10330 1 1007 . 1 1 92 92 SER HB3 H 1 4.371 0.030 . 2 . . . . 92 SER HB3 . 10330 1 1008 . 1 1 92 92 SER CA C 13 54.863 0.300 . 1 . . . . 92 SER CA . 10330 1 1009 . 1 1 92 92 SER CB C 13 62.566 0.300 . 1 . . . . 92 SER CB . 10330 1 1010 . 1 1 92 92 SER N N 15 112.347 0.300 . 1 . . . . 92 SER N . 10330 1 1011 . 1 1 93 93 PRO HA H 1 5.285 0.030 . 1 . . . . 93 PRO HA . 10330 1 1012 . 1 1 93 93 PRO HB2 H 1 1.970 0.030 . 2 . . . . 93 PRO HB2 . 10330 1 1013 . 1 1 93 93 PRO HB3 H 1 1.855 0.030 . 2 . . . . 93 PRO HB3 . 10330 1 1014 . 1 1 93 93 PRO HD2 H 1 3.179 0.030 . 2 . . . . 93 PRO HD2 . 10330 1 1015 . 1 1 93 93 PRO HD3 H 1 2.406 0.030 . 2 . . . . 93 PRO HD3 . 10330 1 1016 . 1 1 93 93 PRO HG2 H 1 1.679 0.030 . 2 . . . . 93 PRO HG2 . 10330 1 1017 . 1 1 93 93 PRO HG3 H 1 1.856 0.030 . 2 . . . . 93 PRO HG3 . 10330 1 1018 . 1 1 93 93 PRO C C 13 176.329 0.300 . 1 . . . . 93 PRO C . 10330 1 1019 . 1 1 93 93 PRO CA C 13 62.292 0.300 . 1 . . . . 93 PRO CA . 10330 1 1020 . 1 1 93 93 PRO CB C 13 33.931 0.300 . 1 . . . . 93 PRO CB . 10330 1 1021 . 1 1 93 93 PRO CD C 13 49.820 0.300 . 1 . . . . 93 PRO CD . 10330 1 1022 . 1 1 93 93 PRO CG C 13 24.941 0.300 . 1 . . . . 93 PRO CG . 10330 1 1023 . 1 1 94 94 PHE H H 1 9.554 0.030 . 1 . . . . 94 PHE H . 10330 1 1024 . 1 1 94 94 PHE HA H 1 4.603 0.030 . 1 . . . . 94 PHE HA . 10330 1 1025 . 1 1 94 94 PHE HB2 H 1 3.294 0.030 . 2 . . . . 94 PHE HB2 . 10330 1 1026 . 1 1 94 94 PHE HB3 H 1 2.847 0.030 . 2 . . . . 94 PHE HB3 . 10330 1 1027 . 1 1 94 94 PHE HD1 H 1 7.237 0.030 . 1 . . . . 94 PHE HD1 . 10330 1 1028 . 1 1 94 94 PHE HD2 H 1 7.237 0.030 . 1 . . . . 94 PHE HD2 . 10330 1 1029 . 1 1 94 94 PHE HE1 H 1 7.076 0.030 . 1 . . . . 94 PHE HE1 . 10330 1 1030 . 1 1 94 94 PHE HE2 H 1 7.076 0.030 . 1 . . . . 94 PHE HE2 . 10330 1 1031 . 1 1 94 94 PHE HZ H 1 7.226 0.030 . 1 . . . . 94 PHE HZ . 10330 1 1032 . 1 1 94 94 PHE C C 13 176.336 0.300 . 1 . . . . 94 PHE C . 10330 1 1033 . 1 1 94 94 PHE CA C 13 57.047 0.300 . 1 . . . . 94 PHE CA . 10330 1 1034 . 1 1 94 94 PHE CB C 13 40.513 0.300 . 1 . . . . 94 PHE CB . 10330 1 1035 . 1 1 94 94 PHE CD1 C 13 133.105 0.300 . 1 . . . . 94 PHE CD1 . 10330 1 1036 . 1 1 94 94 PHE CD2 C 13 133.105 0.300 . 1 . . . . 94 PHE CD2 . 10330 1 1037 . 1 1 94 94 PHE CE1 C 13 130.189 0.300 . 1 . . . . 94 PHE CE1 . 10330 1 1038 . 1 1 94 94 PHE CE2 C 13 130.189 0.300 . 1 . . . . 94 PHE CE2 . 10330 1 1039 . 1 1 94 94 PHE CZ C 13 129.729 0.300 . 1 . . . . 94 PHE CZ . 10330 1 1040 . 1 1 94 94 PHE N N 15 125.852 0.300 . 1 . . . . 94 PHE N . 10330 1 1041 . 1 1 95 95 THR H H 1 8.803 0.030 . 1 . . . . 95 THR H . 10330 1 1042 . 1 1 95 95 THR HA H 1 5.156 0.030 . 1 . . . . 95 THR HA . 10330 1 1043 . 1 1 95 95 THR HB H 1 3.986 0.030 . 1 . . . . 95 THR HB . 10330 1 1044 . 1 1 95 95 THR HG21 H 1 1.036 0.030 . 1 . . . . 95 THR HG2 . 10330 1 1045 . 1 1 95 95 THR HG22 H 1 1.036 0.030 . 1 . . . . 95 THR HG2 . 10330 1 1046 . 1 1 95 95 THR HG23 H 1 1.036 0.030 . 1 . . . . 95 THR HG2 . 10330 1 1047 . 1 1 95 95 THR C C 13 172.478 0.300 . 1 . . . . 95 THR C . 10330 1 1048 . 1 1 95 95 THR CA C 13 62.141 0.300 . 1 . . . . 95 THR CA . 10330 1 1049 . 1 1 95 95 THR CB C 13 70.115 0.300 . 1 . . . . 95 THR CB . 10330 1 1050 . 1 1 95 95 THR CG2 C 13 20.947 0.300 . 1 . . . . 95 THR CG2 . 10330 1 1051 . 1 1 95 95 THR N N 15 118.140 0.300 . 1 . . . . 95 THR N . 10330 1 1052 . 1 1 96 96 ALA H H 1 9.235 0.030 . 1 . . . . 96 ALA H . 10330 1 1053 . 1 1 96 96 ALA HA H 1 4.539 0.030 . 1 . . . . 96 ALA HA . 10330 1 1054 . 1 1 96 96 ALA HB1 H 1 0.994 0.030 . 1 . . . . 96 ALA HB . 10330 1 1055 . 1 1 96 96 ALA HB2 H 1 0.994 0.030 . 1 . . . . 96 ALA HB . 10330 1 1056 . 1 1 96 96 ALA HB3 H 1 0.994 0.030 . 1 . . . . 96 ALA HB . 10330 1 1057 . 1 1 96 96 ALA C C 13 175.919 0.300 . 1 . . . . 96 ALA C . 10330 1 1058 . 1 1 96 96 ALA CA C 13 49.845 0.300 . 1 . . . . 96 ALA CA . 10330 1 1059 . 1 1 96 96 ALA CB C 13 21.826 0.300 . 1 . . . . 96 ALA CB . 10330 1 1060 . 1 1 96 96 ALA N N 15 130.344 0.300 . 1 . . . . 96 ALA N . 10330 1 1061 . 1 1 97 97 LYS H H 1 7.677 0.030 . 1 . . . . 97 LYS H . 10330 1 1062 . 1 1 97 97 LYS HA H 1 4.837 0.030 . 1 . . . . 97 LYS HA . 10330 1 1063 . 1 1 97 97 LYS HB2 H 1 1.849 0.030 . 1 . . . . 97 LYS HB2 . 10330 1 1064 . 1 1 97 97 LYS HB3 H 1 1.849 0.030 . 1 . . . . 97 LYS HB3 . 10330 1 1065 . 1 1 97 97 LYS HD2 H 1 1.672 0.030 . 1 . . . . 97 LYS HD2 . 10330 1 1066 . 1 1 97 97 LYS HD3 H 1 1.672 0.030 . 1 . . . . 97 LYS HD3 . 10330 1 1067 . 1 1 97 97 LYS HE2 H 1 2.937 0.030 . 1 . . . . 97 LYS HE2 . 10330 1 1068 . 1 1 97 97 LYS HE3 H 1 2.937 0.030 . 1 . . . . 97 LYS HE3 . 10330 1 1069 . 1 1 97 97 LYS HG2 H 1 1.456 0.030 . 2 . . . . 97 LYS HG2 . 10330 1 1070 . 1 1 97 97 LYS HG3 H 1 1.387 0.030 . 2 . . . . 97 LYS HG3 . 10330 1 1071 . 1 1 97 97 LYS C C 13 175.254 0.300 . 1 . . . . 97 LYS C . 10330 1 1072 . 1 1 97 97 LYS CA C 13 55.572 0.300 . 1 . . . . 97 LYS CA . 10330 1 1073 . 1 1 97 97 LYS CB C 13 32.686 0.300 . 1 . . . . 97 LYS CB . 10330 1 1074 . 1 1 97 97 LYS CD C 13 28.771 0.300 . 1 . . . . 97 LYS CD . 10330 1 1075 . 1 1 97 97 LYS CE C 13 42.189 0.300 . 1 . . . . 97 LYS CE . 10330 1 1076 . 1 1 97 97 LYS CG C 13 24.484 0.300 . 1 . . . . 97 LYS CG . 10330 1 1077 . 1 1 97 97 LYS N N 15 121.986 0.300 . 1 . . . . 97 LYS N . 10330 1 1078 . 1 1 98 98 ILE H H 1 9.234 0.030 . 1 . . . . 98 ILE H . 10330 1 1079 . 1 1 98 98 ILE HA H 1 4.769 0.030 . 1 . . . . 98 ILE HA . 10330 1 1080 . 1 1 98 98 ILE HB H 1 2.553 0.030 . 1 . . . . 98 ILE HB . 10330 1 1081 . 1 1 98 98 ILE HD11 H 1 0.465 0.030 . 1 . . . . 98 ILE HD1 . 10330 1 1082 . 1 1 98 98 ILE HD12 H 1 0.465 0.030 . 1 . . . . 98 ILE HD1 . 10330 1 1083 . 1 1 98 98 ILE HD13 H 1 0.465 0.030 . 1 . . . . 98 ILE HD1 . 10330 1 1084 . 1 1 98 98 ILE HG12 H 1 0.645 0.030 . 2 . . . . 98 ILE HG12 . 10330 1 1085 . 1 1 98 98 ILE HG13 H 1 1.580 0.030 . 2 . . . . 98 ILE HG13 . 10330 1 1086 . 1 1 98 98 ILE HG21 H 1 0.576 0.030 . 1 . . . . 98 ILE HG2 . 10330 1 1087 . 1 1 98 98 ILE HG22 H 1 0.576 0.030 . 1 . . . . 98 ILE HG2 . 10330 1 1088 . 1 1 98 98 ILE HG23 H 1 0.576 0.030 . 1 . . . . 98 ILE HG2 . 10330 1 1089 . 1 1 98 98 ILE C C 13 177.835 0.300 . 1 . . . . 98 ILE C . 10330 1 1090 . 1 1 98 98 ILE CA C 13 57.070 0.300 . 1 . . . . 98 ILE CA . 10330 1 1091 . 1 1 98 98 ILE CB C 13 35.310 0.300 . 1 . . . . 98 ILE CB . 10330 1 1092 . 1 1 98 98 ILE CD1 C 13 7.441 0.300 . 1 . . . . 98 ILE CD1 . 10330 1 1093 . 1 1 98 98 ILE CG1 C 13 27.770 0.300 . 1 . . . . 98 ILE CG1 . 10330 1 1094 . 1 1 98 98 ILE CG2 C 13 17.272 0.300 . 1 . . . . 98 ILE CG2 . 10330 1 1095 . 1 1 98 98 ILE N N 15 129.115 0.300 . 1 . . . . 98 ILE N . 10330 1 1096 . 1 1 99 99 THR H H 1 8.849 0.030 . 1 . . . . 99 THR H . 10330 1 1097 . 1 1 99 99 THR HA H 1 4.678 0.030 . 1 . . . . 99 THR HA . 10330 1 1098 . 1 1 99 99 THR HB H 1 4.496 0.030 . 1 . . . . 99 THR HB . 10330 1 1099 . 1 1 99 99 THR HG21 H 1 1.346 0.030 . 1 . . . . 99 THR HG2 . 10330 1 1100 . 1 1 99 99 THR HG22 H 1 1.346 0.030 . 1 . . . . 99 THR HG2 . 10330 1 1101 . 1 1 99 99 THR HG23 H 1 1.346 0.030 . 1 . . . . 99 THR HG2 . 10330 1 1102 . 1 1 99 99 THR C C 13 174.233 0.300 . 1 . . . . 99 THR C . 10330 1 1103 . 1 1 99 99 THR CA C 13 60.791 0.300 . 1 . . . . 99 THR CA . 10330 1 1104 . 1 1 99 99 THR CB C 13 71.013 0.300 . 1 . . . . 99 THR CB . 10330 1 1105 . 1 1 99 99 THR CG2 C 13 21.592 0.300 . 1 . . . . 99 THR CG2 . 10330 1 1106 . 1 1 99 99 THR N N 15 121.836 0.300 . 1 . . . . 99 THR N . 10330 1 1107 . 1 1 100 100 GLY H H 1 8.679 0.030 . 1 . . . . 100 GLY H . 10330 1 1108 . 1 1 100 100 GLY HA2 H 1 4.200 0.030 . 2 . . . . 100 GLY HA2 . 10330 1 1109 . 1 1 100 100 GLY HA3 H 1 3.879 0.030 . 2 . . . . 100 GLY HA3 . 10330 1 1110 . 1 1 100 100 GLY C C 13 173.009 0.300 . 1 . . . . 100 GLY C . 10330 1 1111 . 1 1 100 100 GLY CA C 13 44.862 0.300 . 1 . . . . 100 GLY CA . 10330 1 1112 . 1 1 100 100 GLY N N 15 107.854 0.300 . 1 . . . . 100 GLY N . 10330 1 1113 . 1 1 101 101 ASP H H 1 8.296 0.030 . 1 . . . . 101 ASP H . 10330 1 1114 . 1 1 101 101 ASP HA H 1 4.693 0.030 . 1 . . . . 101 ASP HA . 10330 1 1115 . 1 1 101 101 ASP HB2 H 1 2.681 0.030 . 1 . . . . 101 ASP HB2 . 10330 1 1116 . 1 1 101 101 ASP HB3 H 1 2.681 0.030 . 1 . . . . 101 ASP HB3 . 10330 1 1117 . 1 1 101 101 ASP C C 13 176.334 0.300 . 1 . . . . 101 ASP C . 10330 1 1118 . 1 1 101 101 ASP CA C 13 53.757 0.300 . 1 . . . . 101 ASP CA . 10330 1 1119 . 1 1 101 101 ASP CB C 13 41.625 0.300 . 1 . . . . 101 ASP CB . 10330 1 1120 . 1 1 101 101 ASP N N 15 119.545 0.300 . 1 . . . . 101 ASP N . 10330 1 1121 . 1 1 102 102 ASP H H 1 8.460 0.030 . 1 . . . . 102 ASP H . 10330 1 1122 . 1 1 102 102 ASP HA H 1 4.592 0.030 . 1 . . . . 102 ASP HA . 10330 1 1123 . 1 1 102 102 ASP HB2 H 1 2.681 0.030 . 1 . . . . 102 ASP HB2 . 10330 1 1124 . 1 1 102 102 ASP HB3 H 1 2.681 0.030 . 1 . . . . 102 ASP HB3 . 10330 1 1125 . 1 1 102 102 ASP C C 13 177.035 0.300 . 1 . . . . 102 ASP C . 10330 1 1126 . 1 1 102 102 ASP CA C 13 54.576 0.300 . 1 . . . . 102 ASP CA . 10330 1 1127 . 1 1 102 102 ASP CB C 13 40.915 0.300 . 1 . . . . 102 ASP CB . 10330 1 1128 . 1 1 102 102 ASP N N 15 122.318 0.300 . 1 . . . . 102 ASP N . 10330 1 1129 . 1 1 103 103 SER H H 1 8.401 0.030 . 1 . . . . 103 SER H . 10330 1 1130 . 1 1 103 103 SER HA H 1 4.295 0.030 . 1 . . . . 103 SER HA . 10330 1 1131 . 1 1 103 103 SER HB2 H 1 3.897 0.030 . 2 . . . . 103 SER HB2 . 10330 1 1132 . 1 1 103 103 SER C C 13 175.030 0.300 . 1 . . . . 103 SER C . 10330 1 1133 . 1 1 103 103 SER CA C 13 59.713 0.300 . 1 . . . . 103 SER CA . 10330 1 1134 . 1 1 103 103 SER CB C 13 63.758 0.300 . 1 . . . . 103 SER CB . 10330 1 1135 . 1 1 103 103 SER N N 15 116.313 0.300 . 1 . . . . 103 SER N . 10330 1 1136 . 1 1 104 104 MET H H 1 8.186 0.030 . 1 . . . . 104 MET H . 10330 1 1137 . 1 1 104 104 MET HA H 1 4.461 0.030 . 1 . . . . 104 MET HA . 10330 1 1138 . 1 1 104 104 MET HB2 H 1 2.106 0.030 . 2 . . . . 104 MET HB2 . 10330 1 1139 . 1 1 104 104 MET HB3 H 1 2.007 0.030 . 2 . . . . 104 MET HB3 . 10330 1 1140 . 1 1 104 104 MET HE1 H 1 2.062 0.030 . 1 . . . . 104 MET HE . 10330 1 1141 . 1 1 104 104 MET HE2 H 1 2.062 0.030 . 1 . . . . 104 MET HE . 10330 1 1142 . 1 1 104 104 MET HE3 H 1 2.062 0.030 . 1 . . . . 104 MET HE . 10330 1 1143 . 1 1 104 104 MET HG2 H 1 2.589 0.030 . 2 . . . . 104 MET HG2 . 10330 1 1144 . 1 1 104 104 MET HG3 H 1 2.491 0.030 . 2 . . . . 104 MET HG3 . 10330 1 1145 . 1 1 104 104 MET C C 13 176.276 0.300 . 1 . . . . 104 MET C . 10330 1 1146 . 1 1 104 104 MET CA C 13 55.672 0.300 . 1 . . . . 104 MET CA . 10330 1 1147 . 1 1 104 104 MET CB C 13 32.339 0.300 . 1 . . . . 104 MET CB . 10330 1 1148 . 1 1 104 104 MET CE C 13 16.950 0.300 . 1 . . . . 104 MET CE . 10330 1 1149 . 1 1 104 104 MET CG C 13 32.156 0.300 . 1 . . . . 104 MET CG . 10330 1 1150 . 1 1 104 104 MET N N 15 121.181 0.300 . 1 . . . . 104 MET N . 10330 1 1151 . 1 1 105 105 ARG H H 1 8.125 0.030 . 1 . . . . 105 ARG H . 10330 1 1152 . 1 1 105 105 ARG HA H 1 4.355 0.030 . 1 . . . . 105 ARG HA . 10330 1 1153 . 1 1 105 105 ARG HB2 H 1 1.865 0.030 . 2 . . . . 105 ARG HB2 . 10330 1 1154 . 1 1 105 105 ARG HB3 H 1 1.770 0.030 . 2 . . . . 105 ARG HB3 . 10330 1 1155 . 1 1 105 105 ARG HD2 H 1 3.163 0.030 . 1 . . . . 105 ARG HD2 . 10330 1 1156 . 1 1 105 105 ARG HD3 H 1 3.163 0.030 . 1 . . . . 105 ARG HD3 . 10330 1 1157 . 1 1 105 105 ARG HG2 H 1 1.601 0.030 . 1 . . . . 105 ARG HG2 . 10330 1 1158 . 1 1 105 105 ARG HG3 H 1 1.601 0.030 . 1 . . . . 105 ARG HG3 . 10330 1 1159 . 1 1 105 105 ARG C C 13 176.282 0.300 . 1 . . . . 105 ARG C . 10330 1 1160 . 1 1 105 105 ARG CA C 13 56.157 0.300 . 1 . . . . 105 ARG CA . 10330 1 1161 . 1 1 105 105 ARG CB C 13 30.790 0.300 . 1 . . . . 105 ARG CB . 10330 1 1162 . 1 1 105 105 ARG CD C 13 43.310 0.300 . 1 . . . . 105 ARG CD . 10330 1 1163 . 1 1 105 105 ARG CG C 13 27.068 0.300 . 1 . . . . 105 ARG CG . 10330 1 1164 . 1 1 105 105 ARG N N 15 121.838 0.300 . 1 . . . . 105 ARG N . 10330 1 1165 . 1 1 106 106 SER H H 1 8.325 0.030 . 1 . . . . 106 SER H . 10330 1 1166 . 1 1 106 106 SER C C 13 174.503 0.300 . 1 . . . . 106 SER C . 10330 1 1167 . 1 1 106 106 SER CA C 13 58.260 0.300 . 1 . . . . 106 SER CA . 10330 1 1168 . 1 1 106 106 SER N N 15 116.965 0.300 . 1 . . . . 106 SER N . 10330 1 1169 . 1 1 107 107 GLY H H 1 8.233 0.030 . 1 . . . . 107 GLY H . 10330 1 1170 . 1 1 107 107 GLY HA2 H 1 4.062 0.030 . 2 . . . . 107 GLY HA2 . 10330 1 1171 . 1 1 107 107 GLY HA3 H 1 4.134 0.030 . 2 . . . . 107 GLY HA3 . 10330 1 1172 . 1 1 107 107 GLY CA C 13 44.644 0.300 . 1 . . . . 107 GLY CA . 10330 1 1173 . 1 1 107 107 GLY N N 15 110.719 0.300 . 1 . . . . 107 GLY N . 10330 1 1174 . 1 1 108 108 PRO HA H 1 4.460 0.030 . 1 . . . . 108 PRO HA . 10330 1 1175 . 1 1 108 108 PRO HB2 H 1 2.274 0.030 . 2 . . . . 108 PRO HB2 . 10330 1 1176 . 1 1 108 108 PRO HB3 H 1 2.004 0.030 . 2 . . . . 108 PRO HB3 . 10330 1 1177 . 1 1 108 108 PRO HD2 H 1 3.610 0.030 . 1 . . . . 108 PRO HD2 . 10330 1 1178 . 1 1 108 108 PRO HD3 H 1 3.610 0.030 . 1 . . . . 108 PRO HD3 . 10330 1 1179 . 1 1 108 108 PRO HG2 H 1 1.997 0.030 . 1 . . . . 108 PRO HG2 . 10330 1 1180 . 1 1 108 108 PRO HG3 H 1 1.997 0.030 . 1 . . . . 108 PRO HG3 . 10330 1 1181 . 1 1 108 108 PRO C C 13 177.422 0.300 . 1 . . . . 108 PRO C . 10330 1 1182 . 1 1 108 108 PRO CA C 13 63.246 0.300 . 1 . . . . 108 PRO CA . 10330 1 1183 . 1 1 108 108 PRO CB C 13 32.192 0.300 . 1 . . . . 108 PRO CB . 10330 1 1184 . 1 1 108 108 PRO CD C 13 49.778 0.300 . 1 . . . . 108 PRO CD . 10330 1 1185 . 1 1 108 108 PRO CG C 13 27.123 0.300 . 1 . . . . 108 PRO CG . 10330 1 1186 . 1 1 109 109 SER H H 1 8.528 0.030 . 1 . . . . 109 SER H . 10330 1 1187 . 1 1 109 109 SER C C 13 174.624 0.300 . 1 . . . . 109 SER C . 10330 1 1188 . 1 1 109 109 SER CA C 13 58.366 0.300 . 1 . . . . 109 SER CA . 10330 1 1189 . 1 1 109 109 SER CB C 13 63.969 0.300 . 1 . . . . 109 SER CB . 10330 1 1190 . 1 1 109 109 SER N N 15 116.408 0.300 . 1 . . . . 109 SER N . 10330 1 1191 . 1 1 110 110 SER H H 1 8.315 0.030 . 1 . . . . 110 SER H . 10330 1 1192 . 1 1 110 110 SER HA H 1 4.484 0.030 . 1 . . . . 110 SER HA . 10330 1 1193 . 1 1 110 110 SER HB2 H 1 3.856 0.030 . 1 . . . . 110 SER HB2 . 10330 1 1194 . 1 1 110 110 SER HB3 H 1 3.856 0.030 . 1 . . . . 110 SER HB3 . 10330 1 1195 . 1 1 110 110 SER C C 13 173.916 0.300 . 1 . . . . 110 SER C . 10330 1 1196 . 1 1 110 110 SER CA C 13 58.281 0.300 . 1 . . . . 110 SER CA . 10330 1 1197 . 1 1 110 110 SER CB C 13 64.134 0.300 . 1 . . . . 110 SER CB . 10330 1 1198 . 1 1 110 110 SER N N 15 117.816 0.300 . 1 . . . . 110 SER N . 10330 1 1199 . 1 1 111 111 GLY H H 1 8.037 0.030 . 1 . . . . 111 GLY H . 10330 1 1200 . 1 1 111 111 GLY HA2 H 1 3.775 0.030 . 2 . . . . 111 GLY HA2 . 10330 1 1201 . 1 1 111 111 GLY HA3 H 1 3.726 0.030 . 2 . . . . 111 GLY HA3 . 10330 1 1202 . 1 1 111 111 GLY C C 13 178.972 0.300 . 1 . . . . 111 GLY C . 10330 1 1203 . 1 1 111 111 GLY CA C 13 46.189 0.300 . 1 . . . . 111 GLY CA . 10330 1 1204 . 1 1 111 111 GLY N N 15 116.850 0.300 . 1 . . . . 111 GLY N . 10330 1 stop_ save_