data_10323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10323 _Entry.Title ; Solution structure of the 13th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _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 . . . 10323 2 S. Koshiba . . . 10323 3 S. Watanabe . . . 10323 4 T. Harada . . . 10323 5 T. Kigawa . . . 10323 6 S. Yokoyama . . . 10323 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' 10323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 10323 '15N chemical shifts' 96 10323 '1H chemical shifts' 699 10323 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 . . 2010-04-07 2009-04-02 original author . 10323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJ4 'BMRB Entry Tracking System' 10323 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10323 _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 13th filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10323 1 2 S. Koshiba . . . 10323 1 3 S. Watanabe . . . 10323 1 4 T. Harada . . . 10323 1 5 T. Kigawa . . . 10323 1 6 S. Yokoyama . . . 10323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10323 _Assembly.ID 1 _Assembly.Name Filamin-B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10323 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 2DJ4 . . . . . . 10323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10323 _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 ; GSSGSSGVVDPSKVKIAGPG LGSGVRARVLQSFTVDSSKA GLAPLEVRVLGPRGLVEPVN VVDNGDGTHTVTYTPSQEGP YMVSVKYADEEIPRSPFKVK VLPTYDAS ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2DJ4 . "Solution Structure Of The 13th Filamin Domain From Human Filamin-B" . . . . . 100.00 108 100.00 100.00 3.55e-68 . . . . 10323 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10323 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 . 10323 1 2 . SER . 10323 1 3 . SER . 10323 1 4 . GLY . 10323 1 5 . SER . 10323 1 6 . SER . 10323 1 7 . GLY . 10323 1 8 . VAL . 10323 1 9 . VAL . 10323 1 10 . ASP . 10323 1 11 . PRO . 10323 1 12 . SER . 10323 1 13 . LYS . 10323 1 14 . VAL . 10323 1 15 . LYS . 10323 1 16 . ILE . 10323 1 17 . ALA . 10323 1 18 . GLY . 10323 1 19 . PRO . 10323 1 20 . GLY . 10323 1 21 . LEU . 10323 1 22 . GLY . 10323 1 23 . SER . 10323 1 24 . GLY . 10323 1 25 . VAL . 10323 1 26 . ARG . 10323 1 27 . ALA . 10323 1 28 . ARG . 10323 1 29 . VAL . 10323 1 30 . LEU . 10323 1 31 . GLN . 10323 1 32 . SER . 10323 1 33 . PHE . 10323 1 34 . THR . 10323 1 35 . VAL . 10323 1 36 . ASP . 10323 1 37 . SER . 10323 1 38 . SER . 10323 1 39 . LYS . 10323 1 40 . ALA . 10323 1 41 . GLY . 10323 1 42 . LEU . 10323 1 43 . ALA . 10323 1 44 . PRO . 10323 1 45 . LEU . 10323 1 46 . GLU . 10323 1 47 . VAL . 10323 1 48 . ARG . 10323 1 49 . VAL . 10323 1 50 . LEU . 10323 1 51 . GLY . 10323 1 52 . PRO . 10323 1 53 . ARG . 10323 1 54 . GLY . 10323 1 55 . LEU . 10323 1 56 . VAL . 10323 1 57 . GLU . 10323 1 58 . PRO . 10323 1 59 . VAL . 10323 1 60 . ASN . 10323 1 61 . VAL . 10323 1 62 . VAL . 10323 1 63 . ASP . 10323 1 64 . ASN . 10323 1 65 . GLY . 10323 1 66 . ASP . 10323 1 67 . GLY . 10323 1 68 . THR . 10323 1 69 . HIS . 10323 1 70 . THR . 10323 1 71 . VAL . 10323 1 72 . THR . 10323 1 73 . TYR . 10323 1 74 . THR . 10323 1 75 . PRO . 10323 1 76 . SER . 10323 1 77 . GLN . 10323 1 78 . GLU . 10323 1 79 . GLY . 10323 1 80 . PRO . 10323 1 81 . TYR . 10323 1 82 . MET . 10323 1 83 . VAL . 10323 1 84 . SER . 10323 1 85 . VAL . 10323 1 86 . LYS . 10323 1 87 . TYR . 10323 1 88 . ALA . 10323 1 89 . ASP . 10323 1 90 . GLU . 10323 1 91 . GLU . 10323 1 92 . ILE . 10323 1 93 . PRO . 10323 1 94 . ARG . 10323 1 95 . SER . 10323 1 96 . PRO . 10323 1 97 . PHE . 10323 1 98 . LYS . 10323 1 99 . VAL . 10323 1 100 . LYS . 10323 1 101 . VAL . 10323 1 102 . LEU . 10323 1 103 . PRO . 10323 1 104 . THR . 10323 1 105 . TYR . 10323 1 106 . ASP . 10323 1 107 . ALA . 10323 1 108 . SER . 10323 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 10323 1 . SER 2 2 10323 1 . SER 3 3 10323 1 . GLY 4 4 10323 1 . SER 5 5 10323 1 . SER 6 6 10323 1 . GLY 7 7 10323 1 . VAL 8 8 10323 1 . VAL 9 9 10323 1 . ASP 10 10 10323 1 . PRO 11 11 10323 1 . SER 12 12 10323 1 . LYS 13 13 10323 1 . VAL 14 14 10323 1 . LYS 15 15 10323 1 . ILE 16 16 10323 1 . ALA 17 17 10323 1 . GLY 18 18 10323 1 . PRO 19 19 10323 1 . GLY 20 20 10323 1 . LEU 21 21 10323 1 . GLY 22 22 10323 1 . SER 23 23 10323 1 . GLY 24 24 10323 1 . VAL 25 25 10323 1 . ARG 26 26 10323 1 . ALA 27 27 10323 1 . ARG 28 28 10323 1 . VAL 29 29 10323 1 . LEU 30 30 10323 1 . GLN 31 31 10323 1 . SER 32 32 10323 1 . PHE 33 33 10323 1 . THR 34 34 10323 1 . VAL 35 35 10323 1 . ASP 36 36 10323 1 . SER 37 37 10323 1 . SER 38 38 10323 1 . LYS 39 39 10323 1 . ALA 40 40 10323 1 . GLY 41 41 10323 1 . LEU 42 42 10323 1 . ALA 43 43 10323 1 . PRO 44 44 10323 1 . LEU 45 45 10323 1 . GLU 46 46 10323 1 . VAL 47 47 10323 1 . ARG 48 48 10323 1 . VAL 49 49 10323 1 . LEU 50 50 10323 1 . GLY 51 51 10323 1 . PRO 52 52 10323 1 . ARG 53 53 10323 1 . GLY 54 54 10323 1 . LEU 55 55 10323 1 . VAL 56 56 10323 1 . GLU 57 57 10323 1 . PRO 58 58 10323 1 . VAL 59 59 10323 1 . ASN 60 60 10323 1 . VAL 61 61 10323 1 . VAL 62 62 10323 1 . ASP 63 63 10323 1 . ASN 64 64 10323 1 . GLY 65 65 10323 1 . ASP 66 66 10323 1 . GLY 67 67 10323 1 . THR 68 68 10323 1 . HIS 69 69 10323 1 . THR 70 70 10323 1 . VAL 71 71 10323 1 . THR 72 72 10323 1 . TYR 73 73 10323 1 . THR 74 74 10323 1 . PRO 75 75 10323 1 . SER 76 76 10323 1 . GLN 77 77 10323 1 . GLU 78 78 10323 1 . GLY 79 79 10323 1 . PRO 80 80 10323 1 . TYR 81 81 10323 1 . MET 82 82 10323 1 . VAL 83 83 10323 1 . SER 84 84 10323 1 . VAL 85 85 10323 1 . LYS 86 86 10323 1 . TYR 87 87 10323 1 . ALA 88 88 10323 1 . ASP 89 89 10323 1 . GLU 90 90 10323 1 . GLU 91 91 10323 1 . ILE 92 92 10323 1 . PRO 93 93 10323 1 . ARG 94 94 10323 1 . SER 95 95 10323 1 . PRO 96 96 10323 1 . PHE 97 97 10323 1 . LYS 98 98 10323 1 . VAL 99 99 10323 1 . LYS 100 100 10323 1 . VAL 101 101 10323 1 . LEU 102 102 10323 1 . PRO 103 103 10323 1 . THR 104 104 10323 1 . TYR 105 105 10323 1 . ASP 106 106 10323 1 . ALA 107 107 10323 1 . SER 108 108 10323 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 10323 _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 . . . . . . . . . . . . . . . . . . . . . 10323 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 10323 _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 . . P060123-13 . . . . . . 10323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10323 _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 . . . . 10323 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 10323 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 10323 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 10323 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 10323 1 6 H2O . . . . . . solvent 90 . . % . . . . 10323 1 7 D2O . . . . . . solvent 10 . . % . . . . 10323 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 10323 _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 10323 1 pH 7.0 0.05 pH 10323 1 pressure 1 0.001 atm 10323 1 temperature 296 0.1 K 10323 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10323 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10323 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10323 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10323 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060324 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10323 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10323 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10323 _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.' . . 10323 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10323 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10323 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10323 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10323 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10323 _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.' . . 10323 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10323 5 'structure solution' 10323 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 10323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10323 _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 II' . 900 . . . 10323 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 10323 _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 . . . . . . . . . . . . . . . . 10323 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10323 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 10323 _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 . . . . . . . . . 10323 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10323 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10323 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 10323 _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 10323 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10323 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 3.879 0.030 . 1 . . . . 1 GLY HA2 . 10323 1 2 . 1 1 1 1 GLY HA3 H 1 3.879 0.030 . 1 . . . . 1 GLY HA3 . 10323 1 3 . 1 1 1 1 GLY CA C 13 43.725 0.300 . 1 . . . . 1 GLY CA . 10323 1 4 . 1 1 6 6 SER HA H 1 4.534 0.030 . 1 . . . . 6 SER HA . 10323 1 5 . 1 1 6 6 SER HB2 H 1 3.917 0.030 . 1 . . . . 6 SER HB2 . 10323 1 6 . 1 1 6 6 SER HB3 H 1 3.917 0.030 . 1 . . . . 6 SER HB3 . 10323 1 7 . 1 1 6 6 SER C C 13 174.874 0.300 . 1 . . . . 6 SER C . 10323 1 8 . 1 1 6 6 SER CA C 13 58.603 0.300 . 1 . . . . 6 SER CA . 10323 1 9 . 1 1 6 6 SER CB C 13 63.915 0.300 . 1 . . . . 6 SER CB . 10323 1 10 . 1 1 7 7 GLY H H 1 8.381 0.030 . 1 . . . . 7 GLY H . 10323 1 11 . 1 1 7 7 GLY HA2 H 1 4.013 0.030 . 1 . . . . 7 GLY HA2 . 10323 1 12 . 1 1 7 7 GLY HA3 H 1 4.013 0.030 . 1 . . . . 7 GLY HA3 . 10323 1 13 . 1 1 7 7 GLY C C 13 173.855 0.300 . 1 . . . . 7 GLY C . 10323 1 14 . 1 1 7 7 GLY CA C 13 45.185 0.300 . 1 . . . . 7 GLY CA . 10323 1 15 . 1 1 7 7 GLY N N 15 110.653 0.300 . 1 . . . . 7 GLY N . 10323 1 16 . 1 1 8 8 VAL H H 1 7.996 0.030 . 1 . . . . 8 VAL H . 10323 1 17 . 1 1 8 8 VAL HA H 1 4.084 0.030 . 1 . . . . 8 VAL HA . 10323 1 18 . 1 1 8 8 VAL HB H 1 2.022 0.030 . 1 . . . . 8 VAL HB . 10323 1 19 . 1 1 8 8 VAL HG11 H 1 0.957 0.030 . 1 . . . . 8 VAL HG1 . 10323 1 20 . 1 1 8 8 VAL HG12 H 1 0.957 0.030 . 1 . . . . 8 VAL HG1 . 10323 1 21 . 1 1 8 8 VAL HG13 H 1 0.957 0.030 . 1 . . . . 8 VAL HG1 . 10323 1 22 . 1 1 8 8 VAL HG21 H 1 0.915 0.030 . 1 . . . . 8 VAL HG2 . 10323 1 23 . 1 1 8 8 VAL HG22 H 1 0.915 0.030 . 1 . . . . 8 VAL HG2 . 10323 1 24 . 1 1 8 8 VAL HG23 H 1 0.915 0.030 . 1 . . . . 8 VAL HG2 . 10323 1 25 . 1 1 8 8 VAL C C 13 176.023 0.300 . 1 . . . . 8 VAL C . 10323 1 26 . 1 1 8 8 VAL CA C 13 62.531 0.300 . 1 . . . . 8 VAL CA . 10323 1 27 . 1 1 8 8 VAL CB C 13 32.702 0.300 . 1 . . . . 8 VAL CB . 10323 1 28 . 1 1 8 8 VAL CG1 C 13 20.830 0.300 . 2 . . . . 8 VAL CG1 . 10323 1 29 . 1 1 8 8 VAL CG2 C 13 21.165 0.300 . 2 . . . . 8 VAL CG2 . 10323 1 30 . 1 1 8 8 VAL N N 15 120.286 0.300 . 1 . . . . 8 VAL N . 10323 1 31 . 1 1 9 9 VAL H H 1 8.365 0.030 . 1 . . . . 9 VAL H . 10323 1 32 . 1 1 9 9 VAL HA H 1 4.649 0.030 . 1 . . . . 9 VAL HA . 10323 1 33 . 1 1 9 9 VAL HB H 1 1.946 0.030 . 1 . . . . 9 VAL HB . 10323 1 34 . 1 1 9 9 VAL HG11 H 1 0.962 0.030 . 1 . . . . 9 VAL HG1 . 10323 1 35 . 1 1 9 9 VAL HG12 H 1 0.962 0.030 . 1 . . . . 9 VAL HG1 . 10323 1 36 . 1 1 9 9 VAL HG13 H 1 0.962 0.030 . 1 . . . . 9 VAL HG1 . 10323 1 37 . 1 1 9 9 VAL HG21 H 1 0.833 0.030 . 1 . . . . 9 VAL HG2 . 10323 1 38 . 1 1 9 9 VAL HG22 H 1 0.833 0.030 . 1 . . . . 9 VAL HG2 . 10323 1 39 . 1 1 9 9 VAL HG23 H 1 0.833 0.030 . 1 . . . . 9 VAL HG2 . 10323 1 40 . 1 1 9 9 VAL C C 13 176.089 0.300 . 1 . . . . 9 VAL C . 10323 1 41 . 1 1 9 9 VAL CA C 13 61.713 0.300 . 1 . . . . 9 VAL CA . 10323 1 42 . 1 1 9 9 VAL CB C 13 32.675 0.300 . 1 . . . . 9 VAL CB . 10323 1 43 . 1 1 9 9 VAL CG1 C 13 22.024 0.300 . 2 . . . . 9 VAL CG1 . 10323 1 44 . 1 1 9 9 VAL CG2 C 13 21.196 0.300 . 2 . . . . 9 VAL CG2 . 10323 1 45 . 1 1 9 9 VAL N N 15 126.752 0.300 . 1 . . . . 9 VAL N . 10323 1 46 . 1 1 10 10 ASP H H 1 8.673 0.030 . 1 . . . . 10 ASP H . 10323 1 47 . 1 1 10 10 ASP HA H 1 5.140 0.030 . 1 . . . . 10 ASP HA . 10323 1 48 . 1 1 10 10 ASP HB2 H 1 2.950 0.030 . 2 . . . . 10 ASP HB2 . 10323 1 49 . 1 1 10 10 ASP HB3 H 1 2.412 0.030 . 2 . . . . 10 ASP HB3 . 10323 1 50 . 1 1 10 10 ASP C C 13 173.913 0.300 . 1 . . . . 10 ASP C . 10323 1 51 . 1 1 10 10 ASP CA C 13 50.576 0.300 . 1 . . . . 10 ASP CA . 10323 1 52 . 1 1 10 10 ASP CB C 13 41.877 0.300 . 1 . . . . 10 ASP CB . 10323 1 53 . 1 1 10 10 ASP N N 15 124.369 0.300 . 1 . . . . 10 ASP N . 10323 1 54 . 1 1 11 11 PRO HA H 1 4.241 0.030 . 1 . . . . 11 PRO HA . 10323 1 55 . 1 1 11 11 PRO HB2 H 1 2.142 0.030 . 2 . . . . 11 PRO HB2 . 10323 1 56 . 1 1 11 11 PRO HB3 H 1 2.591 0.030 . 2 . . . . 11 PRO HB3 . 10323 1 57 . 1 1 11 11 PRO HD2 H 1 3.732 0.030 . 2 . . . . 11 PRO HD2 . 10323 1 58 . 1 1 11 11 PRO HD3 H 1 3.953 0.030 . 2 . . . . 11 PRO HD3 . 10323 1 59 . 1 1 11 11 PRO HG2 H 1 1.874 0.030 . 2 . . . . 11 PRO HG2 . 10323 1 60 . 1 1 11 11 PRO HG3 H 1 2.243 0.030 . 2 . . . . 11 PRO HG3 . 10323 1 61 . 1 1 11 11 PRO C C 13 176.218 0.300 . 1 . . . . 11 PRO C . 10323 1 62 . 1 1 11 11 PRO CA C 13 64.374 0.300 . 1 . . . . 11 PRO CA . 10323 1 63 . 1 1 11 11 PRO CB C 13 32.665 0.300 . 1 . . . . 11 PRO CB . 10323 1 64 . 1 1 11 11 PRO CD C 13 51.126 0.300 . 1 . . . . 11 PRO CD . 10323 1 65 . 1 1 11 11 PRO CG C 13 28.790 0.300 . 1 . . . . 11 PRO CG . 10323 1 66 . 1 1 12 12 SER H H 1 8.014 0.030 . 1 . . . . 12 SER H . 10323 1 67 . 1 1 12 12 SER HA H 1 4.237 0.030 . 1 . . . . 12 SER HA . 10323 1 68 . 1 1 12 12 SER HB2 H 1 3.983 0.030 . 2 . . . . 12 SER HB2 . 10323 1 69 . 1 1 12 12 SER HB3 H 1 4.058 0.030 . 2 . . . . 12 SER HB3 . 10323 1 70 . 1 1 12 12 SER C C 13 175.591 0.300 . 1 . . . . 12 SER C . 10323 1 71 . 1 1 12 12 SER CA C 13 60.667 0.300 . 1 . . . . 12 SER CA . 10323 1 72 . 1 1 12 12 SER CB C 13 62.914 0.300 . 1 . . . . 12 SER CB . 10323 1 73 . 1 1 12 12 SER N N 15 109.665 0.300 . 1 . . . . 12 SER N . 10323 1 74 . 1 1 13 13 LYS H H 1 7.790 0.030 . 1 . . . . 13 LYS H . 10323 1 75 . 1 1 13 13 LYS HA H 1 4.347 0.030 . 1 . . . . 13 LYS HA . 10323 1 76 . 1 1 13 13 LYS HB2 H 1 1.573 0.030 . 2 . . . . 13 LYS HB2 . 10323 1 77 . 1 1 13 13 LYS HB3 H 1 1.837 0.030 . 2 . . . . 13 LYS HB3 . 10323 1 78 . 1 1 13 13 LYS HD2 H 1 1.595 0.030 . 1 . . . . 13 LYS HD2 . 10323 1 79 . 1 1 13 13 LYS HD3 H 1 1.595 0.030 . 1 . . . . 13 LYS HD3 . 10323 1 80 . 1 1 13 13 LYS HE2 H 1 3.001 0.030 . 1 . . . . 13 LYS HE2 . 10323 1 81 . 1 1 13 13 LYS HE3 H 1 3.001 0.030 . 1 . . . . 13 LYS HE3 . 10323 1 82 . 1 1 13 13 LYS HG2 H 1 1.243 0.030 . 2 . . . . 13 LYS HG2 . 10323 1 83 . 1 1 13 13 LYS HG3 H 1 1.471 0.030 . 2 . . . . 13 LYS HG3 . 10323 1 84 . 1 1 13 13 LYS C C 13 176.998 0.300 . 1 . . . . 13 LYS C . 10323 1 85 . 1 1 13 13 LYS CA C 13 55.210 0.300 . 1 . . . . 13 LYS CA . 10323 1 86 . 1 1 13 13 LYS CB C 13 32.850 0.300 . 1 . . . . 13 LYS CB . 10323 1 87 . 1 1 13 13 LYS CD C 13 28.846 0.300 . 1 . . . . 13 LYS CD . 10323 1 88 . 1 1 13 13 LYS CE C 13 42.447 0.300 . 1 . . . . 13 LYS CE . 10323 1 89 . 1 1 13 13 LYS CG C 13 25.578 0.300 . 1 . . . . 13 LYS CG . 10323 1 90 . 1 1 13 13 LYS N N 15 119.498 0.300 . 1 . . . . 13 LYS N . 10323 1 91 . 1 1 14 14 VAL H H 1 7.326 0.030 . 1 . . . . 14 VAL H . 10323 1 92 . 1 1 14 14 VAL HA H 1 3.847 0.030 . 1 . . . . 14 VAL HA . 10323 1 93 . 1 1 14 14 VAL HB H 1 1.948 0.030 . 1 . . . . 14 VAL HB . 10323 1 94 . 1 1 14 14 VAL HG11 H 1 0.335 0.030 . 1 . . . . 14 VAL HG1 . 10323 1 95 . 1 1 14 14 VAL HG12 H 1 0.335 0.030 . 1 . . . . 14 VAL HG1 . 10323 1 96 . 1 1 14 14 VAL HG13 H 1 0.335 0.030 . 1 . . . . 14 VAL HG1 . 10323 1 97 . 1 1 14 14 VAL HG21 H 1 0.575 0.030 . 1 . . . . 14 VAL HG2 . 10323 1 98 . 1 1 14 14 VAL HG22 H 1 0.575 0.030 . 1 . . . . 14 VAL HG2 . 10323 1 99 . 1 1 14 14 VAL HG23 H 1 0.575 0.030 . 1 . . . . 14 VAL HG2 . 10323 1 100 . 1 1 14 14 VAL C C 13 174.792 0.300 . 1 . . . . 14 VAL C . 10323 1 101 . 1 1 14 14 VAL CA C 13 63.893 0.300 . 1 . . . . 14 VAL CA . 10323 1 102 . 1 1 14 14 VAL CB C 13 31.242 0.300 . 1 . . . . 14 VAL CB . 10323 1 103 . 1 1 14 14 VAL CG1 C 13 23.638 0.300 . 2 . . . . 14 VAL CG1 . 10323 1 104 . 1 1 14 14 VAL CG2 C 13 23.168 0.300 . 2 . . . . 14 VAL CG2 . 10323 1 105 . 1 1 14 14 VAL N N 15 122.825 0.300 . 1 . . . . 14 VAL N . 10323 1 106 . 1 1 15 15 LYS H H 1 8.353 0.030 . 1 . . . . 15 LYS H . 10323 1 107 . 1 1 15 15 LYS HA H 1 4.825 0.030 . 1 . . . . 15 LYS HA . 10323 1 108 . 1 1 15 15 LYS HB2 H 1 1.763 0.030 . 2 . . . . 15 LYS HB2 . 10323 1 109 . 1 1 15 15 LYS HB3 H 1 1.991 0.030 . 2 . . . . 15 LYS HB3 . 10323 1 110 . 1 1 15 15 LYS HD2 H 1 1.708 0.030 . 1 . . . . 15 LYS HD2 . 10323 1 111 . 1 1 15 15 LYS HD3 H 1 1.708 0.030 . 1 . . . . 15 LYS HD3 . 10323 1 112 . 1 1 15 15 LYS HE2 H 1 3.005 0.030 . 1 . . . . 15 LYS HE2 . 10323 1 113 . 1 1 15 15 LYS HE3 H 1 3.005 0.030 . 1 . . . . 15 LYS HE3 . 10323 1 114 . 1 1 15 15 LYS HG2 H 1 1.405 0.030 . 2 . . . . 15 LYS HG2 . 10323 1 115 . 1 1 15 15 LYS HG3 H 1 1.511 0.030 . 2 . . . . 15 LYS HG3 . 10323 1 116 . 1 1 15 15 LYS C C 13 174.706 0.300 . 1 . . . . 15 LYS C . 10323 1 117 . 1 1 15 15 LYS CA C 13 54.484 0.300 . 1 . . . . 15 LYS CA . 10323 1 118 . 1 1 15 15 LYS CB C 13 36.152 0.300 . 1 . . . . 15 LYS CB . 10323 1 119 . 1 1 15 15 LYS CD C 13 29.163 0.300 . 1 . . . . 15 LYS CD . 10323 1 120 . 1 1 15 15 LYS CE C 13 42.134 0.300 . 1 . . . . 15 LYS CE . 10323 1 121 . 1 1 15 15 LYS CG C 13 24.765 0.300 . 1 . . . . 15 LYS CG . 10323 1 122 . 1 1 15 15 LYS N N 15 127.600 0.300 . 1 . . . . 15 LYS N . 10323 1 123 . 1 1 16 16 ILE H H 1 8.567 0.030 . 1 . . . . 16 ILE H . 10323 1 124 . 1 1 16 16 ILE HA H 1 5.334 0.030 . 1 . . . . 16 ILE HA . 10323 1 125 . 1 1 16 16 ILE HB H 1 1.625 0.030 . 1 . . . . 16 ILE HB . 10323 1 126 . 1 1 16 16 ILE HD11 H 1 0.433 0.030 . 1 . . . . 16 ILE HD1 . 10323 1 127 . 1 1 16 16 ILE HD12 H 1 0.433 0.030 . 1 . . . . 16 ILE HD1 . 10323 1 128 . 1 1 16 16 ILE HD13 H 1 0.433 0.030 . 1 . . . . 16 ILE HD1 . 10323 1 129 . 1 1 16 16 ILE HG12 H 1 1.300 0.030 . 2 . . . . 16 ILE HG12 . 10323 1 130 . 1 1 16 16 ILE HG13 H 1 0.813 0.030 . 2 . . . . 16 ILE HG13 . 10323 1 131 . 1 1 16 16 ILE HG21 H 1 0.749 0.030 . 1 . . . . 16 ILE HG2 . 10323 1 132 . 1 1 16 16 ILE HG22 H 1 0.749 0.030 . 1 . . . . 16 ILE HG2 . 10323 1 133 . 1 1 16 16 ILE HG23 H 1 0.749 0.030 . 1 . . . . 16 ILE HG2 . 10323 1 134 . 1 1 16 16 ILE C C 13 174.170 0.300 . 1 . . . . 16 ILE C . 10323 1 135 . 1 1 16 16 ILE CA C 13 58.727 0.300 . 1 . . . . 16 ILE CA . 10323 1 136 . 1 1 16 16 ILE CB C 13 41.603 0.300 . 1 . . . . 16 ILE CB . 10323 1 137 . 1 1 16 16 ILE CD1 C 13 14.921 0.300 . 1 . . . . 16 ILE CD1 . 10323 1 138 . 1 1 16 16 ILE CG1 C 13 27.032 0.300 . 1 . . . . 16 ILE CG1 . 10323 1 139 . 1 1 16 16 ILE CG2 C 13 18.476 0.300 . 1 . . . . 16 ILE CG2 . 10323 1 140 . 1 1 16 16 ILE N N 15 118.892 0.300 . 1 . . . . 16 ILE N . 10323 1 141 . 1 1 17 17 ALA H H 1 8.547 0.030 . 1 . . . . 17 ALA H . 10323 1 142 . 1 1 17 17 ALA HA H 1 4.554 0.030 . 1 . . . . 17 ALA HA . 10323 1 143 . 1 1 17 17 ALA HB1 H 1 1.455 0.030 . 1 . . . . 17 ALA HB . 10323 1 144 . 1 1 17 17 ALA HB2 H 1 1.455 0.030 . 1 . . . . 17 ALA HB . 10323 1 145 . 1 1 17 17 ALA HB3 H 1 1.455 0.030 . 1 . . . . 17 ALA HB . 10323 1 146 . 1 1 17 17 ALA C C 13 176.076 0.300 . 1 . . . . 17 ALA C . 10323 1 147 . 1 1 17 17 ALA CA C 13 52.190 0.300 . 1 . . . . 17 ALA CA . 10323 1 148 . 1 1 17 17 ALA CB C 13 22.646 0.300 . 1 . . . . 17 ALA CB . 10323 1 149 . 1 1 17 17 ALA N N 15 124.801 0.300 . 1 . . . . 17 ALA N . 10323 1 150 . 1 1 18 18 GLY H H 1 8.392 0.030 . 1 . . . . 18 GLY H . 10323 1 151 . 1 1 18 18 GLY HA2 H 1 4.122 0.030 . 2 . . . . 18 GLY HA2 . 10323 1 152 . 1 1 18 18 GLY HA3 H 1 5.021 0.030 . 2 . . . . 18 GLY HA3 . 10323 1 153 . 1 1 18 18 GLY C C 13 173.589 0.300 . 1 . . . . 18 GLY C . 10323 1 154 . 1 1 18 18 GLY CA C 13 45.294 0.300 . 1 . . . . 18 GLY CA . 10323 1 155 . 1 1 18 18 GLY N N 15 107.123 0.300 . 1 . . . . 18 GLY N . 10323 1 156 . 1 1 19 19 PRO HA H 1 4.508 0.030 . 1 . . . . 19 PRO HA . 10323 1 157 . 1 1 19 19 PRO HB2 H 1 2.335 0.030 . 1 . . . . 19 PRO HB2 . 10323 1 158 . 1 1 19 19 PRO HB3 H 1 2.335 0.030 . 1 . . . . 19 PRO HB3 . 10323 1 159 . 1 1 19 19 PRO HD2 H 1 3.627 0.030 . 2 . . . . 19 PRO HD2 . 10323 1 160 . 1 1 19 19 PRO HD3 H 1 3.910 0.030 . 2 . . . . 19 PRO HD3 . 10323 1 161 . 1 1 19 19 PRO HG2 H 1 2.106 0.030 . 2 . . . . 19 PRO HG2 . 10323 1 162 . 1 1 19 19 PRO HG3 H 1 2.469 0.030 . 2 . . . . 19 PRO HG3 . 10323 1 163 . 1 1 19 19 PRO C C 13 180.071 0.300 . 1 . . . . 19 PRO C . 10323 1 164 . 1 1 19 19 PRO CA C 13 65.025 0.300 . 1 . . . . 19 PRO CA . 10323 1 165 . 1 1 19 19 PRO CB C 13 31.373 0.300 . 1 . . . . 19 PRO CB . 10323 1 166 . 1 1 19 19 PRO CD C 13 50.305 0.300 . 1 . . . . 19 PRO CD . 10323 1 167 . 1 1 19 19 PRO CG C 13 27.202 0.300 . 1 . . . . 19 PRO CG . 10323 1 168 . 1 1 20 20 GLY H H 1 8.952 0.030 . 1 . . . . 20 GLY H . 10323 1 169 . 1 1 20 20 GLY HA2 H 1 3.506 0.030 . 2 . . . . 20 GLY HA2 . 10323 1 170 . 1 1 20 20 GLY HA3 H 1 4.518 0.030 . 2 . . . . 20 GLY HA3 . 10323 1 171 . 1 1 20 20 GLY C C 13 171.643 0.300 . 1 . . . . 20 GLY C . 10323 1 172 . 1 1 20 20 GLY CA C 13 47.165 0.300 . 1 . . . . 20 GLY CA . 10323 1 173 . 1 1 20 20 GLY N N 15 106.614 0.300 . 1 . . . . 20 GLY N . 10323 1 174 . 1 1 21 21 LEU H H 1 7.143 0.030 . 1 . . . . 21 LEU H . 10323 1 175 . 1 1 21 21 LEU HA H 1 4.518 0.030 . 1 . . . . 21 LEU HA . 10323 1 176 . 1 1 21 21 LEU HB2 H 1 1.302 0.030 . 2 . . . . 21 LEU HB2 . 10323 1 177 . 1 1 21 21 LEU HB3 H 1 1.159 0.030 . 2 . . . . 21 LEU HB3 . 10323 1 178 . 1 1 21 21 LEU HD11 H 1 -0.399 0.030 . 1 . . . . 21 LEU HD1 . 10323 1 179 . 1 1 21 21 LEU HD12 H 1 -0.399 0.030 . 1 . . . . 21 LEU HD1 . 10323 1 180 . 1 1 21 21 LEU HD13 H 1 -0.399 0.030 . 1 . . . . 21 LEU HD1 . 10323 1 181 . 1 1 21 21 LEU HD21 H 1 -0.146 0.030 . 1 . . . . 21 LEU HD2 . 10323 1 182 . 1 1 21 21 LEU HD22 H 1 -0.146 0.030 . 1 . . . . 21 LEU HD2 . 10323 1 183 . 1 1 21 21 LEU HD23 H 1 -0.146 0.030 . 1 . . . . 21 LEU HD2 . 10323 1 184 . 1 1 21 21 LEU HG H 1 0.416 0.030 . 1 . . . . 21 LEU HG . 10323 1 185 . 1 1 21 21 LEU C C 13 177.413 0.300 . 1 . . . . 21 LEU C . 10323 1 186 . 1 1 21 21 LEU CA C 13 53.276 0.300 . 1 . . . . 21 LEU CA . 10323 1 187 . 1 1 21 21 LEU CB C 13 42.335 0.300 . 1 . . . . 21 LEU CB . 10323 1 188 . 1 1 21 21 LEU CD1 C 13 25.020 0.300 . 2 . . . . 21 LEU CD1 . 10323 1 189 . 1 1 21 21 LEU CD2 C 13 21.626 0.300 . 2 . . . . 21 LEU CD2 . 10323 1 190 . 1 1 21 21 LEU CG C 13 26.272 0.300 . 1 . . . . 21 LEU CG . 10323 1 191 . 1 1 21 21 LEU N N 15 116.859 0.300 . 1 . . . . 21 LEU N . 10323 1 192 . 1 1 22 22 GLY H H 1 7.592 0.030 . 1 . . . . 22 GLY H . 10323 1 193 . 1 1 22 22 GLY HA2 H 1 3.898 0.030 . 2 . . . . 22 GLY HA2 . 10323 1 194 . 1 1 22 22 GLY HA3 H 1 4.520 0.030 . 2 . . . . 22 GLY HA3 . 10323 1 195 . 1 1 22 22 GLY C C 13 173.668 0.300 . 1 . . . . 22 GLY C . 10323 1 196 . 1 1 22 22 GLY CA C 13 45.191 0.300 . 1 . . . . 22 GLY CA . 10323 1 197 . 1 1 22 22 GLY N N 15 108.771 0.300 . 1 . . . . 22 GLY N . 10323 1 198 . 1 1 23 23 SER H H 1 8.366 0.030 . 1 . . . . 23 SER H . 10323 1 199 . 1 1 23 23 SER HA H 1 4.676 0.030 . 1 . . . . 23 SER HA . 10323 1 200 . 1 1 23 23 SER HB2 H 1 4.065 0.030 . 2 . . . . 23 SER HB2 . 10323 1 201 . 1 1 23 23 SER HB3 H 1 3.971 0.030 . 2 . . . . 23 SER HB3 . 10323 1 202 . 1 1 23 23 SER C C 13 175.521 0.300 . 1 . . . . 23 SER C . 10323 1 203 . 1 1 23 23 SER CA C 13 59.033 0.300 . 1 . . . . 23 SER CA . 10323 1 204 . 1 1 23 23 SER CB C 13 64.173 0.300 . 1 . . . . 23 SER CB . 10323 1 205 . 1 1 23 23 SER N N 15 113.272 0.300 . 1 . . . . 23 SER N . 10323 1 206 . 1 1 24 24 GLY H H 1 8.714 0.030 . 1 . . . . 24 GLY H . 10323 1 207 . 1 1 24 24 GLY HA2 H 1 3.638 0.030 . 2 . . . . 24 GLY HA2 . 10323 1 208 . 1 1 24 24 GLY HA3 H 1 4.343 0.030 . 2 . . . . 24 GLY HA3 . 10323 1 209 . 1 1 24 24 GLY C C 13 174.545 0.300 . 1 . . . . 24 GLY C . 10323 1 210 . 1 1 24 24 GLY CA C 13 45.226 0.300 . 1 . . . . 24 GLY CA . 10323 1 211 . 1 1 24 24 GLY N N 15 112.353 0.300 . 1 . . . . 24 GLY N . 10323 1 212 . 1 1 25 25 VAL H H 1 8.345 0.030 . 1 . . . . 25 VAL H . 10323 1 213 . 1 1 25 25 VAL HA H 1 3.304 0.030 . 1 . . . . 25 VAL HA . 10323 1 214 . 1 1 25 25 VAL HB H 1 1.963 0.030 . 1 . . . . 25 VAL HB . 10323 1 215 . 1 1 25 25 VAL HG11 H 1 0.734 0.030 . 1 . . . . 25 VAL HG1 . 10323 1 216 . 1 1 25 25 VAL HG12 H 1 0.734 0.030 . 1 . . . . 25 VAL HG1 . 10323 1 217 . 1 1 25 25 VAL HG13 H 1 0.734 0.030 . 1 . . . . 25 VAL HG1 . 10323 1 218 . 1 1 25 25 VAL HG21 H 1 0.835 0.030 . 1 . . . . 25 VAL HG2 . 10323 1 219 . 1 1 25 25 VAL HG22 H 1 0.835 0.030 . 1 . . . . 25 VAL HG2 . 10323 1 220 . 1 1 25 25 VAL HG23 H 1 0.835 0.030 . 1 . . . . 25 VAL HG2 . 10323 1 221 . 1 1 25 25 VAL C C 13 174.083 0.300 . 1 . . . . 25 VAL C . 10323 1 222 . 1 1 25 25 VAL CA C 13 64.608 0.300 . 1 . . . . 25 VAL CA . 10323 1 223 . 1 1 25 25 VAL CB C 13 30.967 0.300 . 1 . . . . 25 VAL CB . 10323 1 224 . 1 1 25 25 VAL CG1 C 13 22.937 0.300 . 2 . . . . 25 VAL CG1 . 10323 1 225 . 1 1 25 25 VAL CG2 C 13 21.198 0.300 . 2 . . . . 25 VAL CG2 . 10323 1 226 . 1 1 25 25 VAL N N 15 125.004 0.300 . 1 . . . . 25 VAL N . 10323 1 227 . 1 1 26 26 ARG H H 1 6.852 0.030 . 1 . . . . 26 ARG H . 10323 1 228 . 1 1 26 26 ARG HA H 1 4.605 0.030 . 1 . . . . 26 ARG HA . 10323 1 229 . 1 1 26 26 ARG HB2 H 1 1.383 0.030 . 2 . . . . 26 ARG HB2 . 10323 1 230 . 1 1 26 26 ARG HB3 H 1 1.447 0.030 . 2 . . . . 26 ARG HB3 . 10323 1 231 . 1 1 26 26 ARG HD2 H 1 2.934 0.030 . 2 . . . . 26 ARG HD2 . 10323 1 232 . 1 1 26 26 ARG HD3 H 1 3.150 0.030 . 2 . . . . 26 ARG HD3 . 10323 1 233 . 1 1 26 26 ARG HE H 1 7.120 0.030 . 1 . . . . 26 ARG HE . 10323 1 234 . 1 1 26 26 ARG HG2 H 1 1.503 0.030 . 2 . . . . 26 ARG HG2 . 10323 1 235 . 1 1 26 26 ARG HG3 H 1 1.425 0.030 . 2 . . . . 26 ARG HG3 . 10323 1 236 . 1 1 26 26 ARG C C 13 174.291 0.300 . 1 . . . . 26 ARG C . 10323 1 237 . 1 1 26 26 ARG CA C 13 54.282 0.300 . 1 . . . . 26 ARG CA . 10323 1 238 . 1 1 26 26 ARG CB C 13 33.594 0.300 . 1 . . . . 26 ARG CB . 10323 1 239 . 1 1 26 26 ARG CD C 13 43.154 0.300 . 1 . . . . 26 ARG CD . 10323 1 240 . 1 1 26 26 ARG CG C 13 28.204 0.300 . 1 . . . . 26 ARG CG . 10323 1 241 . 1 1 26 26 ARG N N 15 125.701 0.300 . 1 . . . . 26 ARG N . 10323 1 242 . 1 1 26 26 ARG NE N 15 84.856 0.300 . 1 . . . . 26 ARG NE . 10323 1 243 . 1 1 27 27 ALA H H 1 8.168 0.030 . 1 . . . . 27 ALA H . 10323 1 244 . 1 1 27 27 ALA HA H 1 3.655 0.030 . 1 . . . . 27 ALA HA . 10323 1 245 . 1 1 27 27 ALA HB1 H 1 1.009 0.030 . 1 . . . . 27 ALA HB . 10323 1 246 . 1 1 27 27 ALA HB2 H 1 1.009 0.030 . 1 . . . . 27 ALA HB . 10323 1 247 . 1 1 27 27 ALA HB3 H 1 1.009 0.030 . 1 . . . . 27 ALA HB . 10323 1 248 . 1 1 27 27 ALA C C 13 177.693 0.300 . 1 . . . . 27 ALA C . 10323 1 249 . 1 1 27 27 ALA CA C 13 52.699 0.300 . 1 . . . . 27 ALA CA . 10323 1 250 . 1 1 27 27 ALA CB C 13 18.042 0.300 . 1 . . . . 27 ALA CB . 10323 1 251 . 1 1 27 27 ALA N N 15 122.377 0.300 . 1 . . . . 27 ALA N . 10323 1 252 . 1 1 28 28 ARG H H 1 9.127 0.030 . 1 . . . . 28 ARG H . 10323 1 253 . 1 1 28 28 ARG HA H 1 3.359 0.030 . 1 . . . . 28 ARG HA . 10323 1 254 . 1 1 28 28 ARG HB2 H 1 1.959 0.030 . 2 . . . . 28 ARG HB2 . 10323 1 255 . 1 1 28 28 ARG HB3 H 1 2.104 0.030 . 2 . . . . 28 ARG HB3 . 10323 1 256 . 1 1 28 28 ARG HD2 H 1 3.182 0.030 . 2 . . . . 28 ARG HD2 . 10323 1 257 . 1 1 28 28 ARG HD3 H 1 3.232 0.030 . 2 . . . . 28 ARG HD3 . 10323 1 258 . 1 1 28 28 ARG HG2 H 1 1.487 0.030 . 2 . . . . 28 ARG HG2 . 10323 1 259 . 1 1 28 28 ARG HG3 H 1 1.377 0.030 . 2 . . . . 28 ARG HG3 . 10323 1 260 . 1 1 28 28 ARG C C 13 174.384 0.300 . 1 . . . . 28 ARG C . 10323 1 261 . 1 1 28 28 ARG CA C 13 57.752 0.300 . 1 . . . . 28 ARG CA . 10323 1 262 . 1 1 28 28 ARG CB C 13 26.859 0.300 . 1 . . . . 28 ARG CB . 10323 1 263 . 1 1 28 28 ARG CD C 13 43.347 0.300 . 1 . . . . 28 ARG CD . 10323 1 264 . 1 1 28 28 ARG CG C 13 28.057 0.300 . 1 . . . . 28 ARG CG . 10323 1 265 . 1 1 28 28 ARG N N 15 111.237 0.300 . 1 . . . . 28 ARG N . 10323 1 266 . 1 1 29 29 VAL H H 1 7.531 0.030 . 1 . . . . 29 VAL H . 10323 1 267 . 1 1 29 29 VAL HA H 1 4.066 0.030 . 1 . . . . 29 VAL HA . 10323 1 268 . 1 1 29 29 VAL HB H 1 1.741 0.030 . 1 . . . . 29 VAL HB . 10323 1 269 . 1 1 29 29 VAL HG11 H 1 0.917 0.030 . 1 . . . . 29 VAL HG1 . 10323 1 270 . 1 1 29 29 VAL HG12 H 1 0.917 0.030 . 1 . . . . 29 VAL HG1 . 10323 1 271 . 1 1 29 29 VAL HG13 H 1 0.917 0.030 . 1 . . . . 29 VAL HG1 . 10323 1 272 . 1 1 29 29 VAL HG21 H 1 0.748 0.030 . 1 . . . . 29 VAL HG2 . 10323 1 273 . 1 1 29 29 VAL HG22 H 1 0.748 0.030 . 1 . . . . 29 VAL HG2 . 10323 1 274 . 1 1 29 29 VAL HG23 H 1 0.748 0.030 . 1 . . . . 29 VAL HG2 . 10323 1 275 . 1 1 29 29 VAL C C 13 174.841 0.300 . 1 . . . . 29 VAL C . 10323 1 276 . 1 1 29 29 VAL CA C 13 61.537 0.300 . 1 . . . . 29 VAL CA . 10323 1 277 . 1 1 29 29 VAL CB C 13 33.058 0.300 . 1 . . . . 29 VAL CB . 10323 1 278 . 1 1 29 29 VAL CG1 C 13 20.837 0.300 . 2 . . . . 29 VAL CG1 . 10323 1 279 . 1 1 29 29 VAL CG2 C 13 21.472 0.300 . 2 . . . . 29 VAL CG2 . 10323 1 280 . 1 1 29 29 VAL N N 15 122.159 0.300 . 1 . . . . 29 VAL N . 10323 1 281 . 1 1 30 30 LEU H H 1 8.157 0.030 . 1 . . . . 30 LEU H . 10323 1 282 . 1 1 30 30 LEU HA H 1 4.167 0.030 . 1 . . . . 30 LEU HA . 10323 1 283 . 1 1 30 30 LEU HB2 H 1 1.387 0.030 . 2 . . . . 30 LEU HB2 . 10323 1 284 . 1 1 30 30 LEU HB3 H 1 1.568 0.030 . 2 . . . . 30 LEU HB3 . 10323 1 285 . 1 1 30 30 LEU HD11 H 1 0.768 0.030 . 1 . . . . 30 LEU HD1 . 10323 1 286 . 1 1 30 30 LEU HD12 H 1 0.768 0.030 . 1 . . . . 30 LEU HD1 . 10323 1 287 . 1 1 30 30 LEU HD13 H 1 0.768 0.030 . 1 . . . . 30 LEU HD1 . 10323 1 288 . 1 1 30 30 LEU HD21 H 1 0.768 0.030 . 1 . . . . 30 LEU HD2 . 10323 1 289 . 1 1 30 30 LEU HD22 H 1 0.768 0.030 . 1 . . . . 30 LEU HD2 . 10323 1 290 . 1 1 30 30 LEU HD23 H 1 0.768 0.030 . 1 . . . . 30 LEU HD2 . 10323 1 291 . 1 1 30 30 LEU HG H 1 1.374 0.030 . 1 . . . . 30 LEU HG . 10323 1 292 . 1 1 30 30 LEU C C 13 176.007 0.300 . 1 . . . . 30 LEU C . 10323 1 293 . 1 1 30 30 LEU CA C 13 57.177 0.300 . 1 . . . . 30 LEU CA . 10323 1 294 . 1 1 30 30 LEU CB C 13 42.479 0.300 . 1 . . . . 30 LEU CB . 10323 1 295 . 1 1 30 30 LEU CD1 C 13 24.823 0.300 . 2 . . . . 30 LEU CD1 . 10323 1 296 . 1 1 30 30 LEU CD2 C 13 25.857 0.300 . 2 . . . . 30 LEU CD2 . 10323 1 297 . 1 1 30 30 LEU CG C 13 26.717 0.300 . 1 . . . . 30 LEU CG . 10323 1 298 . 1 1 30 30 LEU N N 15 129.970 0.300 . 1 . . . . 30 LEU N . 10323 1 299 . 1 1 31 31 GLN H H 1 8.989 0.030 . 1 . . . . 31 GLN H . 10323 1 300 . 1 1 31 31 GLN HA H 1 4.622 0.030 . 1 . . . . 31 GLN HA . 10323 1 301 . 1 1 31 31 GLN HB2 H 1 1.830 0.030 . 2 . . . . 31 GLN HB2 . 10323 1 302 . 1 1 31 31 GLN HB3 H 1 0.898 0.030 . 2 . . . . 31 GLN HB3 . 10323 1 303 . 1 1 31 31 GLN HE21 H 1 6.889 0.030 . 2 . . . . 31 GLN HE21 . 10323 1 304 . 1 1 31 31 GLN HE22 H 1 7.508 0.030 . 2 . . . . 31 GLN HE22 . 10323 1 305 . 1 1 31 31 GLN HG2 H 1 1.737 0.030 . 2 . . . . 31 GLN HG2 . 10323 1 306 . 1 1 31 31 GLN HG3 H 1 2.622 0.030 . 2 . . . . 31 GLN HG3 . 10323 1 307 . 1 1 31 31 GLN C C 13 175.275 0.300 . 1 . . . . 31 GLN C . 10323 1 308 . 1 1 31 31 GLN CA C 13 52.383 0.300 . 1 . . . . 31 GLN CA . 10323 1 309 . 1 1 31 31 GLN CB C 13 31.145 0.300 . 1 . . . . 31 GLN CB . 10323 1 310 . 1 1 31 31 GLN CG C 13 33.054 0.300 . 1 . . . . 31 GLN CG . 10323 1 311 . 1 1 31 31 GLN N N 15 126.212 0.300 . 1 . . . . 31 GLN N . 10323 1 312 . 1 1 31 31 GLN NE2 N 15 115.390 0.300 . 1 . . . . 31 GLN NE2 . 10323 1 313 . 1 1 32 32 SER H H 1 8.201 0.030 . 1 . . . . 32 SER H . 10323 1 314 . 1 1 32 32 SER HA H 1 5.922 0.030 . 1 . . . . 32 SER HA . 10323 1 315 . 1 1 32 32 SER HB2 H 1 3.556 0.030 . 2 . . . . 32 SER HB2 . 10323 1 316 . 1 1 32 32 SER HB3 H 1 3.615 0.030 . 2 . . . . 32 SER HB3 . 10323 1 317 . 1 1 32 32 SER C C 13 174.458 0.300 . 1 . . . . 32 SER C . 10323 1 318 . 1 1 32 32 SER CA C 13 56.071 0.300 . 1 . . . . 32 SER CA . 10323 1 319 . 1 1 32 32 SER CB C 13 67.022 0.300 . 1 . . . . 32 SER CB . 10323 1 320 . 1 1 32 32 SER N N 15 111.198 0.300 . 1 . . . . 32 SER N . 10323 1 321 . 1 1 33 33 PHE H H 1 9.057 0.030 . 1 . . . . 33 PHE H . 10323 1 322 . 1 1 33 33 PHE HA H 1 5.198 0.030 . 1 . . . . 33 PHE HA . 10323 1 323 . 1 1 33 33 PHE HB2 H 1 2.826 0.030 . 2 . . . . 33 PHE HB2 . 10323 1 324 . 1 1 33 33 PHE HB3 H 1 3.176 0.030 . 2 . . . . 33 PHE HB3 . 10323 1 325 . 1 1 33 33 PHE HD1 H 1 6.812 0.030 . 1 . . . . 33 PHE HD1 . 10323 1 326 . 1 1 33 33 PHE HD2 H 1 6.812 0.030 . 1 . . . . 33 PHE HD2 . 10323 1 327 . 1 1 33 33 PHE HE1 H 1 6.858 0.030 . 1 . . . . 33 PHE HE1 . 10323 1 328 . 1 1 33 33 PHE HE2 H 1 6.858 0.030 . 1 . . . . 33 PHE HE2 . 10323 1 329 . 1 1 33 33 PHE HZ H 1 6.770 0.030 . 1 . . . . 33 PHE HZ . 10323 1 330 . 1 1 33 33 PHE C C 13 172.024 0.300 . 1 . . . . 33 PHE C . 10323 1 331 . 1 1 33 33 PHE CA C 13 57.493 0.300 . 1 . . . . 33 PHE CA . 10323 1 332 . 1 1 33 33 PHE CB C 13 40.326 0.300 . 1 . . . . 33 PHE CB . 10323 1 333 . 1 1 33 33 PHE CD1 C 13 132.463 0.300 . 1 . . . . 33 PHE CD1 . 10323 1 334 . 1 1 33 33 PHE CD2 C 13 132.463 0.300 . 1 . . . . 33 PHE CD2 . 10323 1 335 . 1 1 33 33 PHE CE1 C 13 130.148 0.300 . 1 . . . . 33 PHE CE1 . 10323 1 336 . 1 1 33 33 PHE CE2 C 13 130.148 0.300 . 1 . . . . 33 PHE CE2 . 10323 1 337 . 1 1 33 33 PHE CZ C 13 128.992 0.300 . 1 . . . . 33 PHE CZ . 10323 1 338 . 1 1 33 33 PHE N N 15 117.628 0.300 . 1 . . . . 33 PHE N . 10323 1 339 . 1 1 34 34 THR H H 1 9.430 0.030 . 1 . . . . 34 THR H . 10323 1 340 . 1 1 34 34 THR HA H 1 5.362 0.030 . 1 . . . . 34 THR HA . 10323 1 341 . 1 1 34 34 THR HB H 1 4.013 0.030 . 1 . . . . 34 THR HB . 10323 1 342 . 1 1 34 34 THR HG21 H 1 1.206 0.030 . 1 . . . . 34 THR HG2 . 10323 1 343 . 1 1 34 34 THR HG22 H 1 1.206 0.030 . 1 . . . . 34 THR HG2 . 10323 1 344 . 1 1 34 34 THR HG23 H 1 1.206 0.030 . 1 . . . . 34 THR HG2 . 10323 1 345 . 1 1 34 34 THR C C 13 174.034 0.300 . 1 . . . . 34 THR C . 10323 1 346 . 1 1 34 34 THR CA C 13 61.825 0.300 . 1 . . . . 34 THR CA . 10323 1 347 . 1 1 34 34 THR CB C 13 71.722 0.300 . 1 . . . . 34 THR CB . 10323 1 348 . 1 1 34 34 THR CG2 C 13 21.505 0.300 . 1 . . . . 34 THR CG2 . 10323 1 349 . 1 1 34 34 THR N N 15 115.891 0.300 . 1 . . . . 34 THR N . 10323 1 350 . 1 1 35 35 VAL H H 1 9.326 0.030 . 1 . . . . 35 VAL H . 10323 1 351 . 1 1 35 35 VAL HA H 1 4.584 0.030 . 1 . . . . 35 VAL HA . 10323 1 352 . 1 1 35 35 VAL HB H 1 2.032 0.030 . 1 . . . . 35 VAL HB . 10323 1 353 . 1 1 35 35 VAL HG11 H 1 0.785 0.030 . 1 . . . . 35 VAL HG1 . 10323 1 354 . 1 1 35 35 VAL HG12 H 1 0.785 0.030 . 1 . . . . 35 VAL HG1 . 10323 1 355 . 1 1 35 35 VAL HG13 H 1 0.785 0.030 . 1 . . . . 35 VAL HG1 . 10323 1 356 . 1 1 35 35 VAL HG21 H 1 1.006 0.030 . 1 . . . . 35 VAL HG2 . 10323 1 357 . 1 1 35 35 VAL HG22 H 1 1.006 0.030 . 1 . . . . 35 VAL HG2 . 10323 1 358 . 1 1 35 35 VAL HG23 H 1 1.006 0.030 . 1 . . . . 35 VAL HG2 . 10323 1 359 . 1 1 35 35 VAL C C 13 174.544 0.300 . 1 . . . . 35 VAL C . 10323 1 360 . 1 1 35 35 VAL CA C 13 61.199 0.300 . 1 . . . . 35 VAL CA . 10323 1 361 . 1 1 35 35 VAL CB C 13 33.689 0.300 . 1 . . . . 35 VAL CB . 10323 1 362 . 1 1 35 35 VAL CG1 C 13 21.543 0.300 . 2 . . . . 35 VAL CG1 . 10323 1 363 . 1 1 35 35 VAL CG2 C 13 21.200 0.300 . 2 . . . . 35 VAL CG2 . 10323 1 364 . 1 1 35 35 VAL N N 15 125.947 0.300 . 1 . . . . 35 VAL N . 10323 1 365 . 1 1 36 36 ASP H H 1 9.548 0.030 . 1 . . . . 36 ASP H . 10323 1 366 . 1 1 36 36 ASP HA H 1 5.239 0.030 . 1 . . . . 36 ASP HA . 10323 1 367 . 1 1 36 36 ASP HB2 H 1 2.508 0.030 . 2 . . . . 36 ASP HB2 . 10323 1 368 . 1 1 36 36 ASP HB3 H 1 2.979 0.030 . 2 . . . . 36 ASP HB3 . 10323 1 369 . 1 1 36 36 ASP C C 13 176.189 0.300 . 1 . . . . 36 ASP C . 10323 1 370 . 1 1 36 36 ASP CA C 13 52.784 0.300 . 1 . . . . 36 ASP CA . 10323 1 371 . 1 1 36 36 ASP CB C 13 41.430 0.300 . 1 . . . . 36 ASP CB . 10323 1 372 . 1 1 36 36 ASP N N 15 127.793 0.300 . 1 . . . . 36 ASP N . 10323 1 373 . 1 1 37 37 SER H H 1 9.250 0.030 . 1 . . . . 37 SER H . 10323 1 374 . 1 1 37 37 SER HA H 1 4.408 0.030 . 1 . . . . 37 SER HA . 10323 1 375 . 1 1 37 37 SER HB2 H 1 2.980 0.030 . 2 . . . . 37 SER HB2 . 10323 1 376 . 1 1 37 37 SER HB3 H 1 4.192 0.030 . 2 . . . . 37 SER HB3 . 10323 1 377 . 1 1 37 37 SER C C 13 176.351 0.300 . 1 . . . . 37 SER C . 10323 1 378 . 1 1 37 37 SER CA C 13 57.376 0.300 . 1 . . . . 37 SER CA . 10323 1 379 . 1 1 37 37 SER CB C 13 64.185 0.300 . 1 . . . . 37 SER CB . 10323 1 380 . 1 1 37 37 SER N N 15 122.215 0.300 . 1 . . . . 37 SER N . 10323 1 381 . 1 1 38 38 SER H H 1 8.879 0.030 . 1 . . . . 38 SER H . 10323 1 382 . 1 1 38 38 SER HA H 1 4.124 0.030 . 1 . . . . 38 SER HA . 10323 1 383 . 1 1 38 38 SER HB2 H 1 3.975 0.030 . 2 . . . . 38 SER HB2 . 10323 1 384 . 1 1 38 38 SER HB3 H 1 4.075 0.030 . 2 . . . . 38 SER HB3 . 10323 1 385 . 1 1 38 38 SER C C 13 176.715 0.300 . 1 . . . . 38 SER C . 10323 1 386 . 1 1 38 38 SER CA C 13 62.706 0.300 . 1 . . . . 38 SER CA . 10323 1 387 . 1 1 38 38 SER CB C 13 62.773 0.300 . 1 . . . . 38 SER CB . 10323 1 388 . 1 1 38 38 SER N N 15 121.890 0.300 . 1 . . . . 38 SER N . 10323 1 389 . 1 1 39 39 LYS H H 1 8.558 0.030 . 1 . . . . 39 LYS H . 10323 1 390 . 1 1 39 39 LYS HA H 1 4.682 0.030 . 1 . . . . 39 LYS HA . 10323 1 391 . 1 1 39 39 LYS HB2 H 1 1.573 0.030 . 2 . . . . 39 LYS HB2 . 10323 1 392 . 1 1 39 39 LYS HB3 H 1 2.114 0.030 . 2 . . . . 39 LYS HB3 . 10323 1 393 . 1 1 39 39 LYS HD2 H 1 1.646 0.030 . 1 . . . . 39 LYS HD2 . 10323 1 394 . 1 1 39 39 LYS HD3 H 1 1.646 0.030 . 1 . . . . 39 LYS HD3 . 10323 1 395 . 1 1 39 39 LYS HE2 H 1 2.998 0.030 . 2 . . . . 39 LYS HE2 . 10323 1 396 . 1 1 39 39 LYS HG2 H 1 1.474 0.030 . 2 . . . . 39 LYS HG2 . 10323 1 397 . 1 1 39 39 LYS HG3 H 1 1.544 0.030 . 2 . . . . 39 LYS HG3 . 10323 1 398 . 1 1 39 39 LYS C C 13 176.216 0.300 . 1 . . . . 39 LYS C . 10323 1 399 . 1 1 39 39 LYS CA C 13 54.999 0.300 . 1 . . . . 39 LYS CA . 10323 1 400 . 1 1 39 39 LYS CB C 13 32.258 0.300 . 1 . . . . 39 LYS CB . 10323 1 401 . 1 1 39 39 LYS CD C 13 28.240 0.300 . 1 . . . . 39 LYS CD . 10323 1 402 . 1 1 39 39 LYS CE C 13 42.230 0.300 . 1 . . . . 39 LYS CE . 10323 1 403 . 1 1 39 39 LYS CG C 13 24.907 0.300 . 1 . . . . 39 LYS CG . 10323 1 404 . 1 1 39 39 LYS N N 15 120.703 0.300 . 1 . . . . 39 LYS N . 10323 1 405 . 1 1 40 40 ALA H H 1 7.735 0.030 . 1 . . . . 40 ALA H . 10323 1 406 . 1 1 40 40 ALA HA H 1 4.410 0.030 . 1 . . . . 40 ALA HA . 10323 1 407 . 1 1 40 40 ALA HB1 H 1 1.145 0.030 . 1 . . . . 40 ALA HB . 10323 1 408 . 1 1 40 40 ALA HB2 H 1 1.145 0.030 . 1 . . . . 40 ALA HB . 10323 1 409 . 1 1 40 40 ALA HB3 H 1 1.145 0.030 . 1 . . . . 40 ALA HB . 10323 1 410 . 1 1 40 40 ALA C C 13 176.716 0.300 . 1 . . . . 40 ALA C . 10323 1 411 . 1 1 40 40 ALA CA C 13 52.490 0.300 . 1 . . . . 40 ALA CA . 10323 1 412 . 1 1 40 40 ALA CB C 13 23.779 0.300 . 1 . . . . 40 ALA CB . 10323 1 413 . 1 1 40 40 ALA N N 15 122.199 0.300 . 1 . . . . 40 ALA N . 10323 1 414 . 1 1 41 41 GLY H H 1 7.748 0.030 . 1 . . . . 41 GLY H . 10323 1 415 . 1 1 41 41 GLY HA2 H 1 3.711 0.030 . 2 . . . . 41 GLY HA2 . 10323 1 416 . 1 1 41 41 GLY HA3 H 1 4.426 0.030 . 2 . . . . 41 GLY HA3 . 10323 1 417 . 1 1 41 41 GLY C C 13 173.137 0.300 . 1 . . . . 41 GLY C . 10323 1 418 . 1 1 41 41 GLY CA C 13 44.089 0.300 . 1 . . . . 41 GLY CA . 10323 1 419 . 1 1 41 41 GLY N N 15 105.880 0.300 . 1 . . . . 41 GLY N . 10323 1 420 . 1 1 42 42 LEU H H 1 8.586 0.030 . 1 . . . . 42 LEU H . 10323 1 421 . 1 1 42 42 LEU HA H 1 4.450 0.030 . 1 . . . . 42 LEU HA . 10323 1 422 . 1 1 42 42 LEU HB2 H 1 1.596 0.030 . 1 . . . . 42 LEU HB2 . 10323 1 423 . 1 1 42 42 LEU HB3 H 1 1.596 0.030 . 1 . . . . 42 LEU HB3 . 10323 1 424 . 1 1 42 42 LEU HD11 H 1 0.945 0.030 . 1 . . . . 42 LEU HD1 . 10323 1 425 . 1 1 42 42 LEU HD12 H 1 0.945 0.030 . 1 . . . . 42 LEU HD1 . 10323 1 426 . 1 1 42 42 LEU HD13 H 1 0.945 0.030 . 1 . . . . 42 LEU HD1 . 10323 1 427 . 1 1 42 42 LEU HD21 H 1 0.895 0.030 . 1 . . . . 42 LEU HD2 . 10323 1 428 . 1 1 42 42 LEU HD22 H 1 0.895 0.030 . 1 . . . . 42 LEU HD2 . 10323 1 429 . 1 1 42 42 LEU HD23 H 1 0.895 0.030 . 1 . . . . 42 LEU HD2 . 10323 1 430 . 1 1 42 42 LEU HG H 1 1.518 0.030 . 1 . . . . 42 LEU HG . 10323 1 431 . 1 1 42 42 LEU C C 13 174.085 0.300 . 1 . . . . 42 LEU C . 10323 1 432 . 1 1 42 42 LEU CA C 13 55.698 0.300 . 1 . . . . 42 LEU CA . 10323 1 433 . 1 1 42 42 LEU CB C 13 42.784 0.300 . 1 . . . . 42 LEU CB . 10323 1 434 . 1 1 42 42 LEU CD1 C 13 24.495 0.300 . 2 . . . . 42 LEU CD1 . 10323 1 435 . 1 1 42 42 LEU CD2 C 13 24.351 0.300 . 2 . . . . 42 LEU CD2 . 10323 1 436 . 1 1 42 42 LEU CG C 13 26.961 0.300 . 1 . . . . 42 LEU CG . 10323 1 437 . 1 1 42 42 LEU N N 15 122.922 0.300 . 1 . . . . 42 LEU N . 10323 1 438 . 1 1 43 43 ALA H H 1 7.907 0.030 . 1 . . . . 43 ALA H . 10323 1 439 . 1 1 43 43 ALA HA H 1 4.397 0.030 . 1 . . . . 43 ALA HA . 10323 1 440 . 1 1 43 43 ALA HB1 H 1 0.786 0.030 . 1 . . . . 43 ALA HB . 10323 1 441 . 1 1 43 43 ALA HB2 H 1 0.786 0.030 . 1 . . . . 43 ALA HB . 10323 1 442 . 1 1 43 43 ALA HB3 H 1 0.786 0.030 . 1 . . . . 43 ALA HB . 10323 1 443 . 1 1 43 43 ALA C C 13 172.436 0.300 . 1 . . . . 43 ALA C . 10323 1 444 . 1 1 43 43 ALA CA C 13 50.163 0.300 . 1 . . . . 43 ALA CA . 10323 1 445 . 1 1 43 43 ALA CB C 13 21.037 0.300 . 1 . . . . 43 ALA CB . 10323 1 446 . 1 1 43 43 ALA N N 15 127.160 0.300 . 1 . . . . 43 ALA N . 10323 1 447 . 1 1 44 44 PRO HA H 1 4.292 0.030 . 1 . . . . 44 PRO HA . 10323 1 448 . 1 1 44 44 PRO HB2 H 1 1.686 0.030 . 2 . . . . 44 PRO HB2 . 10323 1 449 . 1 1 44 44 PRO HB3 H 1 2.229 0.030 . 2 . . . . 44 PRO HB3 . 10323 1 450 . 1 1 44 44 PRO HD2 H 1 3.258 0.030 . 2 . . . . 44 PRO HD2 . 10323 1 451 . 1 1 44 44 PRO HD3 H 1 3.553 0.030 . 2 . . . . 44 PRO HD3 . 10323 1 452 . 1 1 44 44 PRO HG2 H 1 1.814 0.030 . 2 . . . . 44 PRO HG2 . 10323 1 453 . 1 1 44 44 PRO HG3 H 1 1.930 0.030 . 2 . . . . 44 PRO HG3 . 10323 1 454 . 1 1 44 44 PRO C C 13 175.675 0.300 . 1 . . . . 44 PRO C . 10323 1 455 . 1 1 44 44 PRO CA C 13 62.929 0.300 . 1 . . . . 44 PRO CA . 10323 1 456 . 1 1 44 44 PRO CB C 13 32.352 0.300 . 1 . . . . 44 PRO CB . 10323 1 457 . 1 1 44 44 PRO CD C 13 51.126 0.300 . 1 . . . . 44 PRO CD . 10323 1 458 . 1 1 44 44 PRO CG C 13 28.005 0.300 . 1 . . . . 44 PRO CG . 10323 1 459 . 1 1 45 45 LEU H H 1 8.438 0.030 . 1 . . . . 45 LEU H . 10323 1 460 . 1 1 45 45 LEU HA H 1 5.205 0.030 . 1 . . . . 45 LEU HA . 10323 1 461 . 1 1 45 45 LEU HB2 H 1 1.162 0.030 . 2 . . . . 45 LEU HB2 . 10323 1 462 . 1 1 45 45 LEU HB3 H 1 1.691 0.030 . 2 . . . . 45 LEU HB3 . 10323 1 463 . 1 1 45 45 LEU HD11 H 1 0.909 0.030 . 1 . . . . 45 LEU HD1 . 10323 1 464 . 1 1 45 45 LEU HD12 H 1 0.909 0.030 . 1 . . . . 45 LEU HD1 . 10323 1 465 . 1 1 45 45 LEU HD13 H 1 0.909 0.030 . 1 . . . . 45 LEU HD1 . 10323 1 466 . 1 1 45 45 LEU HD21 H 1 0.308 0.030 . 1 . . . . 45 LEU HD2 . 10323 1 467 . 1 1 45 45 LEU HD22 H 1 0.308 0.030 . 1 . . . . 45 LEU HD2 . 10323 1 468 . 1 1 45 45 LEU HD23 H 1 0.308 0.030 . 1 . . . . 45 LEU HD2 . 10323 1 469 . 1 1 45 45 LEU HG H 1 1.290 0.030 . 1 . . . . 45 LEU HG . 10323 1 470 . 1 1 45 45 LEU C C 13 175.636 0.300 . 1 . . . . 45 LEU C . 10323 1 471 . 1 1 45 45 LEU CA C 13 53.475 0.300 . 1 . . . . 45 LEU CA . 10323 1 472 . 1 1 45 45 LEU CB C 13 44.857 0.300 . 1 . . . . 45 LEU CB . 10323 1 473 . 1 1 45 45 LEU CD1 C 13 24.764 0.300 . 2 . . . . 45 LEU CD1 . 10323 1 474 . 1 1 45 45 LEU CD2 C 13 26.040 0.300 . 2 . . . . 45 LEU CD2 . 10323 1 475 . 1 1 45 45 LEU CG C 13 27.583 0.300 . 1 . . . . 45 LEU CG . 10323 1 476 . 1 1 45 45 LEU N N 15 126.206 0.300 . 1 . . . . 45 LEU N . 10323 1 477 . 1 1 46 46 GLU H H 1 9.183 0.030 . 1 . . . . 46 GLU H . 10323 1 478 . 1 1 46 46 GLU HA H 1 4.733 0.030 . 1 . . . . 46 GLU HA . 10323 1 479 . 1 1 46 46 GLU HB2 H 1 1.757 0.030 . 2 . . . . 46 GLU HB2 . 10323 1 480 . 1 1 46 46 GLU HB3 H 1 1.889 0.030 . 2 . . . . 46 GLU HB3 . 10323 1 481 . 1 1 46 46 GLU HG2 H 1 2.162 0.030 . 1 . . . . 46 GLU HG2 . 10323 1 482 . 1 1 46 46 GLU HG3 H 1 2.162 0.030 . 1 . . . . 46 GLU HG3 . 10323 1 483 . 1 1 46 46 GLU C C 13 174.394 0.300 . 1 . . . . 46 GLU C . 10323 1 484 . 1 1 46 46 GLU CA C 13 55.289 0.300 . 1 . . . . 46 GLU CA . 10323 1 485 . 1 1 46 46 GLU CB C 13 33.571 0.300 . 1 . . . . 46 GLU CB . 10323 1 486 . 1 1 46 46 GLU CG C 13 36.366 0.300 . 1 . . . . 46 GLU CG . 10323 1 487 . 1 1 46 46 GLU N N 15 128.491 0.300 . 1 . . . . 46 GLU N . 10323 1 488 . 1 1 47 47 VAL H H 1 8.872 0.030 . 1 . . . . 47 VAL H . 10323 1 489 . 1 1 47 47 VAL HA H 1 5.164 0.030 . 1 . . . . 47 VAL HA . 10323 1 490 . 1 1 47 47 VAL HB H 1 1.840 0.030 . 1 . . . . 47 VAL HB . 10323 1 491 . 1 1 47 47 VAL HG11 H 1 0.963 0.030 . 1 . . . . 47 VAL HG1 . 10323 1 492 . 1 1 47 47 VAL HG12 H 1 0.963 0.030 . 1 . . . . 47 VAL HG1 . 10323 1 493 . 1 1 47 47 VAL HG13 H 1 0.963 0.030 . 1 . . . . 47 VAL HG1 . 10323 1 494 . 1 1 47 47 VAL HG21 H 1 0.963 0.030 . 1 . . . . 47 VAL HG2 . 10323 1 495 . 1 1 47 47 VAL HG22 H 1 0.963 0.030 . 1 . . . . 47 VAL HG2 . 10323 1 496 . 1 1 47 47 VAL HG23 H 1 0.963 0.030 . 1 . . . . 47 VAL HG2 . 10323 1 497 . 1 1 47 47 VAL C C 13 174.015 0.300 . 1 . . . . 47 VAL C . 10323 1 498 . 1 1 47 47 VAL CA C 13 60.632 0.300 . 1 . . . . 47 VAL CA . 10323 1 499 . 1 1 47 47 VAL CB C 13 34.170 0.300 . 1 . . . . 47 VAL CB . 10323 1 500 . 1 1 47 47 VAL CG1 C 13 21.871 0.300 . 2 . . . . 47 VAL CG1 . 10323 1 501 . 1 1 47 47 VAL CG2 C 13 21.115 0.300 . 2 . . . . 47 VAL CG2 . 10323 1 502 . 1 1 47 47 VAL N N 15 127.660 0.300 . 1 . . . . 47 VAL N . 10323 1 503 . 1 1 48 48 ARG H H 1 9.024 0.030 . 1 . . . . 48 ARG H . 10323 1 504 . 1 1 48 48 ARG HA H 1 4.757 0.030 . 1 . . . . 48 ARG HA . 10323 1 505 . 1 1 48 48 ARG HB2 H 1 1.649 0.030 . 2 . . . . 48 ARG HB2 . 10323 1 506 . 1 1 48 48 ARG HB3 H 1 1.716 0.030 . 2 . . . . 48 ARG HB3 . 10323 1 507 . 1 1 48 48 ARG HD2 H 1 3.131 0.030 . 2 . . . . 48 ARG HD2 . 10323 1 508 . 1 1 48 48 ARG HD3 H 1 3.183 0.030 . 2 . . . . 48 ARG HD3 . 10323 1 509 . 1 1 48 48 ARG HG2 H 1 1.517 0.030 . 2 . . . . 48 ARG HG2 . 10323 1 510 . 1 1 48 48 ARG HG3 H 1 1.634 0.030 . 2 . . . . 48 ARG HG3 . 10323 1 511 . 1 1 48 48 ARG C C 13 174.072 0.300 . 1 . . . . 48 ARG C . 10323 1 512 . 1 1 48 48 ARG CA C 13 54.697 0.300 . 1 . . . . 48 ARG CA . 10323 1 513 . 1 1 48 48 ARG CB C 13 33.964 0.300 . 1 . . . . 48 ARG CB . 10323 1 514 . 1 1 48 48 ARG CD C 13 43.645 0.300 . 1 . . . . 48 ARG CD . 10323 1 515 . 1 1 48 48 ARG CG C 13 27.380 0.300 . 1 . . . . 48 ARG CG . 10323 1 516 . 1 1 48 48 ARG N N 15 126.424 0.300 . 1 . . . . 48 ARG N . 10323 1 517 . 1 1 49 49 VAL H H 1 9.310 0.030 . 1 . . . . 49 VAL H . 10323 1 518 . 1 1 49 49 VAL HA H 1 4.411 0.030 . 1 . . . . 49 VAL HA . 10323 1 519 . 1 1 49 49 VAL HB H 1 1.887 0.030 . 1 . . . . 49 VAL HB . 10323 1 520 . 1 1 49 49 VAL HG11 H 1 0.625 0.030 . 1 . . . . 49 VAL HG1 . 10323 1 521 . 1 1 49 49 VAL HG12 H 1 0.625 0.030 . 1 . . . . 49 VAL HG1 . 10323 1 522 . 1 1 49 49 VAL HG13 H 1 0.625 0.030 . 1 . . . . 49 VAL HG1 . 10323 1 523 . 1 1 49 49 VAL HG21 H 1 0.382 0.030 . 1 . . . . 49 VAL HG2 . 10323 1 524 . 1 1 49 49 VAL HG22 H 1 0.382 0.030 . 1 . . . . 49 VAL HG2 . 10323 1 525 . 1 1 49 49 VAL HG23 H 1 0.382 0.030 . 1 . . . . 49 VAL HG2 . 10323 1 526 . 1 1 49 49 VAL C C 13 173.258 0.300 . 1 . . . . 49 VAL C . 10323 1 527 . 1 1 49 49 VAL CA C 13 62.311 0.300 . 1 . . . . 49 VAL CA . 10323 1 528 . 1 1 49 49 VAL CB C 13 32.771 0.300 . 1 . . . . 49 VAL CB . 10323 1 529 . 1 1 49 49 VAL CG1 C 13 21.818 0.300 . 2 . . . . 49 VAL CG1 . 10323 1 530 . 1 1 49 49 VAL CG2 C 13 20.712 0.300 . 2 . . . . 49 VAL CG2 . 10323 1 531 . 1 1 49 49 VAL N N 15 126.422 0.300 . 1 . . . . 49 VAL N . 10323 1 532 . 1 1 50 50 LEU H H 1 8.919 0.030 . 1 . . . . 50 LEU H . 10323 1 533 . 1 1 50 50 LEU HA H 1 5.054 0.030 . 1 . . . . 50 LEU HA . 10323 1 534 . 1 1 50 50 LEU HB2 H 1 1.573 0.030 . 1 . . . . 50 LEU HB2 . 10323 1 535 . 1 1 50 50 LEU HB3 H 1 1.573 0.030 . 1 . . . . 50 LEU HB3 . 10323 1 536 . 1 1 50 50 LEU HD11 H 1 0.796 0.030 . 1 . . . . 50 LEU HD1 . 10323 1 537 . 1 1 50 50 LEU HD12 H 1 0.796 0.030 . 1 . . . . 50 LEU HD1 . 10323 1 538 . 1 1 50 50 LEU HD13 H 1 0.796 0.030 . 1 . . . . 50 LEU HD1 . 10323 1 539 . 1 1 50 50 LEU HG H 1 1.542 0.030 . 1 . . . . 50 LEU HG . 10323 1 540 . 1 1 50 50 LEU C C 13 176.503 0.300 . 1 . . . . 50 LEU C . 10323 1 541 . 1 1 50 50 LEU CA C 13 53.367 0.300 . 1 . . . . 50 LEU CA . 10323 1 542 . 1 1 50 50 LEU CB C 13 44.821 0.300 . 1 . . . . 50 LEU CB . 10323 1 543 . 1 1 50 50 LEU CD1 C 13 25.013 0.300 . 2 . . . . 50 LEU CD1 . 10323 1 544 . 1 1 50 50 LEU CG C 13 27.255 0.300 . 1 . . . . 50 LEU CG . 10323 1 545 . 1 1 50 50 LEU N N 15 128.294 0.300 . 1 . . . . 50 LEU N . 10323 1 546 . 1 1 52 52 PRO HA H 1 4.297 0.030 . 1 . . . . 52 PRO HA . 10323 1 547 . 1 1 52 52 PRO HB2 H 1 2.333 0.030 . 2 . . . . 52 PRO HB2 . 10323 1 548 . 1 1 52 52 PRO HB3 H 1 1.775 0.030 . 2 . . . . 52 PRO HB3 . 10323 1 549 . 1 1 52 52 PRO HD2 H 1 2.895 0.030 . 2 . . . . 52 PRO HD2 . 10323 1 550 . 1 1 52 52 PRO HD3 H 1 2.956 0.030 . 2 . . . . 52 PRO HD3 . 10323 1 551 . 1 1 52 52 PRO HG2 H 1 1.999 0.030 . 2 . . . . 52 PRO HG2 . 10323 1 552 . 1 1 52 52 PRO HG3 H 1 1.861 0.030 . 2 . . . . 52 PRO HG3 . 10323 1 553 . 1 1 52 52 PRO CA C 13 63.617 0.300 . 1 . . . . 52 PRO CA . 10323 1 554 . 1 1 52 52 PRO CB C 13 32.268 0.300 . 1 . . . . 52 PRO CB . 10323 1 555 . 1 1 52 52 PRO CD C 13 49.878 0.300 . 1 . . . . 52 PRO CD . 10323 1 556 . 1 1 52 52 PRO CG C 13 27.161 0.300 . 1 . . . . 52 PRO CG . 10323 1 557 . 1 1 53 53 ARG H H 1 8.764 0.030 . 1 . . . . 53 ARG H . 10323 1 558 . 1 1 53 53 ARG HA H 1 4.035 0.030 . 1 . . . . 53 ARG HA . 10323 1 559 . 1 1 53 53 ARG HB2 H 1 1.559 0.030 . 2 . . . . 53 ARG HB2 . 10323 1 560 . 1 1 53 53 ARG HB3 H 1 2.012 0.030 . 2 . . . . 53 ARG HB3 . 10323 1 561 . 1 1 53 53 ARG HD2 H 1 3.246 0.030 . 2 . . . . 53 ARG HD2 . 10323 1 562 . 1 1 53 53 ARG HD3 H 1 3.199 0.030 . 2 . . . . 53 ARG HD3 . 10323 1 563 . 1 1 53 53 ARG HG2 H 1 1.851 0.030 . 2 . . . . 53 ARG HG2 . 10323 1 564 . 1 1 53 53 ARG C C 13 176.636 0.300 . 1 . . . . 53 ARG C . 10323 1 565 . 1 1 53 53 ARG CA C 13 56.189 0.300 . 1 . . . . 53 ARG CA . 10323 1 566 . 1 1 53 53 ARG CB C 13 27.806 0.300 . 1 . . . . 53 ARG CB . 10323 1 567 . 1 1 53 53 ARG CD C 13 43.396 0.300 . 1 . . . . 53 ARG CD . 10323 1 568 . 1 1 53 53 ARG CG C 13 27.937 0.300 . 1 . . . . 53 ARG CG . 10323 1 569 . 1 1 53 53 ARG N N 15 116.271 0.300 . 1 . . . . 53 ARG N . 10323 1 570 . 1 1 54 54 GLY H H 1 8.249 0.030 . 1 . . . . 54 GLY H . 10323 1 571 . 1 1 54 54 GLY HA2 H 1 3.522 0.030 . 2 . . . . 54 GLY HA2 . 10323 1 572 . 1 1 54 54 GLY HA3 H 1 3.999 0.030 . 2 . . . . 54 GLY HA3 . 10323 1 573 . 1 1 54 54 GLY C C 13 173.833 0.300 . 1 . . . . 54 GLY C . 10323 1 574 . 1 1 54 54 GLY CA C 13 45.905 0.300 . 1 . . . . 54 GLY CA . 10323 1 575 . 1 1 54 54 GLY N N 15 106.392 0.300 . 1 . . . . 54 GLY N . 10323 1 576 . 1 1 55 55 LEU H H 1 6.865 0.030 . 1 . . . . 55 LEU H . 10323 1 577 . 1 1 55 55 LEU HA H 1 4.203 0.030 . 1 . . . . 55 LEU HA . 10323 1 578 . 1 1 55 55 LEU HB2 H 1 1.552 0.030 . 2 . . . . 55 LEU HB2 . 10323 1 579 . 1 1 55 55 LEU HB3 H 1 1.331 0.030 . 2 . . . . 55 LEU HB3 . 10323 1 580 . 1 1 55 55 LEU HD11 H 1 0.880 0.030 . 1 . . . . 55 LEU HD1 . 10323 1 581 . 1 1 55 55 LEU HD12 H 1 0.880 0.030 . 1 . . . . 55 LEU HD1 . 10323 1 582 . 1 1 55 55 LEU HD13 H 1 0.880 0.030 . 1 . . . . 55 LEU HD1 . 10323 1 583 . 1 1 55 55 LEU HD21 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10323 1 584 . 1 1 55 55 LEU HD22 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10323 1 585 . 1 1 55 55 LEU HD23 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10323 1 586 . 1 1 55 55 LEU HG H 1 1.414 0.030 . 1 . . . . 55 LEU HG . 10323 1 587 . 1 1 55 55 LEU C C 13 176.009 0.300 . 1 . . . . 55 LEU C . 10323 1 588 . 1 1 55 55 LEU CA C 13 55.207 0.300 . 1 . . . . 55 LEU CA . 10323 1 589 . 1 1 55 55 LEU CB C 13 42.836 0.300 . 1 . . . . 55 LEU CB . 10323 1 590 . 1 1 55 55 LEU CD1 C 13 24.315 0.300 . 2 . . . . 55 LEU CD1 . 10323 1 591 . 1 1 55 55 LEU CD2 C 13 25.148 0.300 . 2 . . . . 55 LEU CD2 . 10323 1 592 . 1 1 55 55 LEU CG C 13 27.099 0.300 . 1 . . . . 55 LEU CG . 10323 1 593 . 1 1 55 55 LEU N N 15 121.603 0.300 . 1 . . . . 55 LEU N . 10323 1 594 . 1 1 56 56 VAL H H 1 8.472 0.030 . 1 . . . . 56 VAL H . 10323 1 595 . 1 1 56 56 VAL HA H 1 4.559 0.030 . 1 . . . . 56 VAL HA . 10323 1 596 . 1 1 56 56 VAL HB H 1 2.041 0.030 . 1 . . . . 56 VAL HB . 10323 1 597 . 1 1 56 56 VAL HG11 H 1 0.965 0.030 . 1 . . . . 56 VAL HG1 . 10323 1 598 . 1 1 56 56 VAL HG12 H 1 0.965 0.030 . 1 . . . . 56 VAL HG1 . 10323 1 599 . 1 1 56 56 VAL HG13 H 1 0.965 0.030 . 1 . . . . 56 VAL HG1 . 10323 1 600 . 1 1 56 56 VAL HG21 H 1 0.965 0.030 . 1 . . . . 56 VAL HG2 . 10323 1 601 . 1 1 56 56 VAL HG22 H 1 0.965 0.030 . 1 . . . . 56 VAL HG2 . 10323 1 602 . 1 1 56 56 VAL HG23 H 1 0.965 0.030 . 1 . . . . 56 VAL HG2 . 10323 1 603 . 1 1 56 56 VAL C C 13 176.936 0.300 . 1 . . . . 56 VAL C . 10323 1 604 . 1 1 56 56 VAL CA C 13 62.189 0.300 . 1 . . . . 56 VAL CA . 10323 1 605 . 1 1 56 56 VAL CB C 13 32.718 0.300 . 1 . . . . 56 VAL CB . 10323 1 606 . 1 1 56 56 VAL CG1 C 13 21.209 0.300 . 1 . . . . 56 VAL CG1 . 10323 1 607 . 1 1 56 56 VAL CG2 C 13 21.209 0.300 . 1 . . . . 56 VAL CG2 . 10323 1 608 . 1 1 56 56 VAL N N 15 127.214 0.300 . 1 . . . . 56 VAL N . 10323 1 609 . 1 1 57 57 GLU H H 1 8.402 0.030 . 1 . . . . 57 GLU H . 10323 1 610 . 1 1 57 57 GLU HA H 1 5.318 0.030 . 1 . . . . 57 GLU HA . 10323 1 611 . 1 1 57 57 GLU HB2 H 1 2.291 0.030 . 2 . . . . 57 GLU HB2 . 10323 1 612 . 1 1 57 57 GLU HB3 H 1 1.645 0.030 . 2 . . . . 57 GLU HB3 . 10323 1 613 . 1 1 57 57 GLU HG2 H 1 2.472 0.030 . 1 . . . . 57 GLU HG2 . 10323 1 614 . 1 1 57 57 GLU HG3 H 1 2.472 0.030 . 1 . . . . 57 GLU HG3 . 10323 1 615 . 1 1 57 57 GLU C C 13 174.364 0.300 . 1 . . . . 57 GLU C . 10323 1 616 . 1 1 57 57 GLU CA C 13 52.950 0.300 . 1 . . . . 57 GLU CA . 10323 1 617 . 1 1 57 57 GLU CB C 13 29.854 0.300 . 1 . . . . 57 GLU CB . 10323 1 618 . 1 1 57 57 GLU CG C 13 35.775 0.300 . 1 . . . . 57 GLU CG . 10323 1 619 . 1 1 57 57 GLU N N 15 127.218 0.300 . 1 . . . . 57 GLU N . 10323 1 620 . 1 1 58 58 PRO HA H 1 4.585 0.030 . 1 . . . . 58 PRO HA . 10323 1 621 . 1 1 58 58 PRO HB2 H 1 1.973 0.030 . 2 . . . . 58 PRO HB2 . 10323 1 622 . 1 1 58 58 PRO HB3 H 1 2.374 0.030 . 2 . . . . 58 PRO HB3 . 10323 1 623 . 1 1 58 58 PRO HD2 H 1 3.995 0.030 . 2 . . . . 58 PRO HD2 . 10323 1 624 . 1 1 58 58 PRO HD3 H 1 4.046 0.030 . 2 . . . . 58 PRO HD3 . 10323 1 625 . 1 1 58 58 PRO HG2 H 1 2.225 0.030 . 2 . . . . 58 PRO HG2 . 10323 1 626 . 1 1 58 58 PRO HG3 H 1 2.108 0.030 . 2 . . . . 58 PRO HG3 . 10323 1 627 . 1 1 58 58 PRO C C 13 176.287 0.300 . 1 . . . . 58 PRO C . 10323 1 628 . 1 1 58 58 PRO CA C 13 63.089 0.300 . 1 . . . . 58 PRO CA . 10323 1 629 . 1 1 58 58 PRO CB C 13 32.223 0.300 . 1 . . . . 58 PRO CB . 10323 1 630 . 1 1 58 58 PRO CD C 13 50.707 0.300 . 1 . . . . 58 PRO CD . 10323 1 631 . 1 1 58 58 PRO CG C 13 27.752 0.300 . 1 . . . . 58 PRO CG . 10323 1 632 . 1 1 59 59 VAL H H 1 8.314 0.030 . 1 . . . . 59 VAL H . 10323 1 633 . 1 1 59 59 VAL HA H 1 4.896 0.030 . 1 . . . . 59 VAL HA . 10323 1 634 . 1 1 59 59 VAL HB H 1 1.949 0.030 . 1 . . . . 59 VAL HB . 10323 1 635 . 1 1 59 59 VAL HG11 H 1 0.861 0.030 . 1 . . . . 59 VAL HG1 . 10323 1 636 . 1 1 59 59 VAL HG12 H 1 0.861 0.030 . 1 . . . . 59 VAL HG1 . 10323 1 637 . 1 1 59 59 VAL HG13 H 1 0.861 0.030 . 1 . . . . 59 VAL HG1 . 10323 1 638 . 1 1 59 59 VAL C C 13 174.494 0.300 . 1 . . . . 59 VAL C . 10323 1 639 . 1 1 59 59 VAL CA C 13 59.778 0.300 . 1 . . . . 59 VAL CA . 10323 1 640 . 1 1 59 59 VAL CB C 13 35.242 0.300 . 1 . . . . 59 VAL CB . 10323 1 641 . 1 1 59 59 VAL CG1 C 13 21.610 0.300 . 2 . . . . 59 VAL CG1 . 10323 1 642 . 1 1 59 59 VAL N N 15 118.618 0.300 . 1 . . . . 59 VAL N . 10323 1 643 . 1 1 60 60 ASN H H 1 8.744 0.030 . 1 . . . . 60 ASN H . 10323 1 644 . 1 1 60 60 ASN HA H 1 5.140 0.030 . 1 . . . . 60 ASN HA . 10323 1 645 . 1 1 60 60 ASN HB2 H 1 2.641 0.030 . 2 . . . . 60 ASN HB2 . 10323 1 646 . 1 1 60 60 ASN HB3 H 1 2.794 0.030 . 2 . . . . 60 ASN HB3 . 10323 1 647 . 1 1 60 60 ASN HD21 H 1 6.826 0.030 . 2 . . . . 60 ASN HD21 . 10323 1 648 . 1 1 60 60 ASN HD22 H 1 7.461 0.030 . 2 . . . . 60 ASN HD22 . 10323 1 649 . 1 1 60 60 ASN C C 13 173.324 0.300 . 1 . . . . 60 ASN C . 10323 1 650 . 1 1 60 60 ASN CA C 13 52.545 0.300 . 1 . . . . 60 ASN CA . 10323 1 651 . 1 1 60 60 ASN CB C 13 41.375 0.300 . 1 . . . . 60 ASN CB . 10323 1 652 . 1 1 60 60 ASN N N 15 124.007 0.300 . 1 . . . . 60 ASN N . 10323 1 653 . 1 1 60 60 ASN ND2 N 15 113.482 0.300 . 1 . . . . 60 ASN ND2 . 10323 1 654 . 1 1 61 61 VAL H H 1 8.678 0.030 . 1 . . . . 61 VAL H . 10323 1 655 . 1 1 61 61 VAL HA H 1 4.719 0.030 . 1 . . . . 61 VAL HA . 10323 1 656 . 1 1 61 61 VAL HB H 1 2.052 0.030 . 1 . . . . 61 VAL HB . 10323 1 657 . 1 1 61 61 VAL HG11 H 1 0.876 0.030 . 1 . . . . 61 VAL HG1 . 10323 1 658 . 1 1 61 61 VAL HG12 H 1 0.876 0.030 . 1 . . . . 61 VAL HG1 . 10323 1 659 . 1 1 61 61 VAL HG13 H 1 0.876 0.030 . 1 . . . . 61 VAL HG1 . 10323 1 660 . 1 1 61 61 VAL HG21 H 1 0.915 0.030 . 1 . . . . 61 VAL HG2 . 10323 1 661 . 1 1 61 61 VAL HG22 H 1 0.915 0.030 . 1 . . . . 61 VAL HG2 . 10323 1 662 . 1 1 61 61 VAL HG23 H 1 0.915 0.030 . 1 . . . . 61 VAL HG2 . 10323 1 663 . 1 1 61 61 VAL C C 13 175.371 0.300 . 1 . . . . 61 VAL C . 10323 1 664 . 1 1 61 61 VAL CA C 13 61.752 0.300 . 1 . . . . 61 VAL CA . 10323 1 665 . 1 1 61 61 VAL CB C 13 33.866 0.300 . 1 . . . . 61 VAL CB . 10323 1 666 . 1 1 61 61 VAL CG1 C 13 22.543 0.300 . 2 . . . . 61 VAL CG1 . 10323 1 667 . 1 1 61 61 VAL CG2 C 13 21.362 0.300 . 2 . . . . 61 VAL CG2 . 10323 1 668 . 1 1 61 61 VAL N N 15 124.733 0.300 . 1 . . . . 61 VAL N . 10323 1 669 . 1 1 62 62 VAL H H 1 9.018 0.030 . 1 . . . . 62 VAL H . 10323 1 670 . 1 1 62 62 VAL HA H 1 4.306 0.030 . 1 . . . . 62 VAL HA . 10323 1 671 . 1 1 62 62 VAL HB H 1 1.938 0.030 . 1 . . . . 62 VAL HB . 10323 1 672 . 1 1 62 62 VAL HG11 H 1 0.929 0.030 . 1 . . . . 62 VAL HG1 . 10323 1 673 . 1 1 62 62 VAL HG12 H 1 0.929 0.030 . 1 . . . . 62 VAL HG1 . 10323 1 674 . 1 1 62 62 VAL HG13 H 1 0.929 0.030 . 1 . . . . 62 VAL HG1 . 10323 1 675 . 1 1 62 62 VAL HG21 H 1 0.853 0.030 . 1 . . . . 62 VAL HG2 . 10323 1 676 . 1 1 62 62 VAL HG22 H 1 0.853 0.030 . 1 . . . . 62 VAL HG2 . 10323 1 677 . 1 1 62 62 VAL HG23 H 1 0.853 0.030 . 1 . . . . 62 VAL HG2 . 10323 1 678 . 1 1 62 62 VAL C C 13 174.430 0.300 . 1 . . . . 62 VAL C . 10323 1 679 . 1 1 62 62 VAL CA C 13 61.254 0.300 . 1 . . . . 62 VAL CA . 10323 1 680 . 1 1 62 62 VAL CB C 13 35.206 0.300 . 1 . . . . 62 VAL CB . 10323 1 681 . 1 1 62 62 VAL CG1 C 13 21.335 0.300 . 2 . . . . 62 VAL CG1 . 10323 1 682 . 1 1 62 62 VAL CG2 C 13 20.809 0.300 . 2 . . . . 62 VAL CG2 . 10323 1 683 . 1 1 62 62 VAL N N 15 129.078 0.300 . 1 . . . . 62 VAL N . 10323 1 684 . 1 1 63 63 ASP H H 1 8.607 0.030 . 1 . . . . 63 ASP H . 10323 1 685 . 1 1 63 63 ASP HA H 1 4.590 0.030 . 1 . . . . 63 ASP HA . 10323 1 686 . 1 1 63 63 ASP HB2 H 1 2.919 0.030 . 2 . . . . 63 ASP HB2 . 10323 1 687 . 1 1 63 63 ASP HB3 H 1 2.802 0.030 . 2 . . . . 63 ASP HB3 . 10323 1 688 . 1 1 63 63 ASP C C 13 177.344 0.300 . 1 . . . . 63 ASP C . 10323 1 689 . 1 1 63 63 ASP CA C 13 53.315 0.300 . 1 . . . . 63 ASP CA . 10323 1 690 . 1 1 63 63 ASP CB C 13 40.943 0.300 . 1 . . . . 63 ASP CB . 10323 1 691 . 1 1 63 63 ASP N N 15 126.677 0.300 . 1 . . . . 63 ASP N . 10323 1 692 . 1 1 64 64 ASN H H 1 8.466 0.030 . 1 . . . . 64 ASN H . 10323 1 693 . 1 1 64 64 ASN HA H 1 4.594 0.030 . 1 . . . . 64 ASN HA . 10323 1 694 . 1 1 64 64 ASN HB2 H 1 2.693 0.030 . 2 . . . . 64 ASN HB2 . 10323 1 695 . 1 1 64 64 ASN HB3 H 1 2.864 0.030 . 2 . . . . 64 ASN HB3 . 10323 1 696 . 1 1 64 64 ASN HD21 H 1 7.289 0.030 . 1 . . . . 64 ASN HD21 . 10323 1 697 . 1 1 64 64 ASN HD22 H 1 7.289 0.030 . 1 . . . . 64 ASN HD22 . 10323 1 698 . 1 1 64 64 ASN C C 13 176.922 0.300 . 1 . . . . 64 ASN C . 10323 1 699 . 1 1 64 64 ASN CA C 13 54.734 0.300 . 1 . . . . 64 ASN CA . 10323 1 700 . 1 1 64 64 ASN CB C 13 38.573 0.300 . 1 . . . . 64 ASN CB . 10323 1 701 . 1 1 64 64 ASN N N 15 124.743 0.300 . 1 . . . . 64 ASN N . 10323 1 702 . 1 1 64 64 ASN ND2 N 15 113.523 0.300 . 1 . . . . 64 ASN ND2 . 10323 1 703 . 1 1 65 65 GLY H H 1 9.253 0.030 . 1 . . . . 65 GLY H . 10323 1 704 . 1 1 65 65 GLY HA2 H 1 3.772 0.030 . 2 . . . . 65 GLY HA2 . 10323 1 705 . 1 1 65 65 GLY HA3 H 1 4.037 0.030 . 2 . . . . 65 GLY HA3 . 10323 1 706 . 1 1 65 65 GLY C C 13 173.396 0.300 . 1 . . . . 65 GLY C . 10323 1 707 . 1 1 65 65 GLY CA C 13 46.090 0.300 . 1 . . . . 65 GLY CA . 10323 1 708 . 1 1 65 65 GLY N N 15 109.338 0.300 . 1 . . . . 65 GLY N . 10323 1 709 . 1 1 66 66 ASP H H 1 7.828 0.030 . 1 . . . . 66 ASP H . 10323 1 710 . 1 1 66 66 ASP HA H 1 4.749 0.030 . 1 . . . . 66 ASP HA . 10323 1 711 . 1 1 66 66 ASP HB2 H 1 2.399 0.030 . 2 . . . . 66 ASP HB2 . 10323 1 712 . 1 1 66 66 ASP HB3 H 1 3.039 0.030 . 2 . . . . 66 ASP HB3 . 10323 1 713 . 1 1 66 66 ASP C C 13 176.770 0.300 . 1 . . . . 66 ASP C . 10323 1 714 . 1 1 66 66 ASP CA C 13 51.990 0.300 . 1 . . . . 66 ASP CA . 10323 1 715 . 1 1 66 66 ASP CB C 13 40.987 0.300 . 1 . . . . 66 ASP CB . 10323 1 716 . 1 1 66 66 ASP N N 15 118.334 0.300 . 1 . . . . 66 ASP N . 10323 1 717 . 1 1 67 67 GLY H H 1 8.716 0.030 . 1 . . . . 67 GLY H . 10323 1 718 . 1 1 67 67 GLY HA2 H 1 3.573 0.030 . 2 . . . . 67 GLY HA2 . 10323 1 719 . 1 1 67 67 GLY HA3 H 1 4.164 0.030 . 2 . . . . 67 GLY HA3 . 10323 1 720 . 1 1 67 67 GLY C C 13 171.995 0.300 . 1 . . . . 67 GLY C . 10323 1 721 . 1 1 67 67 GLY CA C 13 45.155 0.300 . 1 . . . . 67 GLY CA . 10323 1 722 . 1 1 67 67 GLY N N 15 110.017 0.300 . 1 . . . . 67 GLY N . 10323 1 723 . 1 1 68 68 THR H H 1 7.948 0.030 . 1 . . . . 68 THR H . 10323 1 724 . 1 1 68 68 THR HA H 1 5.792 0.030 . 1 . . . . 68 THR HA . 10323 1 725 . 1 1 68 68 THR HB H 1 4.039 0.030 . 1 . . . . 68 THR HB . 10323 1 726 . 1 1 68 68 THR HG21 H 1 1.058 0.030 . 1 . . . . 68 THR HG2 . 10323 1 727 . 1 1 68 68 THR HG22 H 1 1.058 0.030 . 1 . . . . 68 THR HG2 . 10323 1 728 . 1 1 68 68 THR HG23 H 1 1.058 0.030 . 1 . . . . 68 THR HG2 . 10323 1 729 . 1 1 68 68 THR C C 13 173.681 0.300 . 1 . . . . 68 THR C . 10323 1 730 . 1 1 68 68 THR CA C 13 59.586 0.300 . 1 . . . . 68 THR CA . 10323 1 731 . 1 1 68 68 THR CB C 13 73.286 0.300 . 1 . . . . 68 THR CB . 10323 1 732 . 1 1 68 68 THR CG2 C 13 20.868 0.300 . 1 . . . . 68 THR CG2 . 10323 1 733 . 1 1 68 68 THR N N 15 108.456 0.300 . 1 . . . . 68 THR N . 10323 1 734 . 1 1 69 69 HIS H H 1 9.051 0.030 . 1 . . . . 69 HIS H . 10323 1 735 . 1 1 69 69 HIS HA H 1 5.535 0.030 . 1 . . . . 69 HIS HA . 10323 1 736 . 1 1 69 69 HIS HB2 H 1 2.744 0.030 . 2 . . . . 69 HIS HB2 . 10323 1 737 . 1 1 69 69 HIS HB3 H 1 2.540 0.030 . 2 . . . . 69 HIS HB3 . 10323 1 738 . 1 1 69 69 HIS HD2 H 1 6.711 0.030 . 1 . . . . 69 HIS HD2 . 10323 1 739 . 1 1 69 69 HIS HE1 H 1 7.665 0.030 . 1 . . . . 69 HIS HE1 . 10323 1 740 . 1 1 69 69 HIS C C 13 175.923 0.300 . 1 . . . . 69 HIS C . 10323 1 741 . 1 1 69 69 HIS CA C 13 54.921 0.300 . 1 . . . . 69 HIS CA . 10323 1 742 . 1 1 69 69 HIS CB C 13 34.333 0.300 . 1 . . . . 69 HIS CB . 10323 1 743 . 1 1 69 69 HIS CD2 C 13 118.492 0.300 . 1 . . . . 69 HIS CD2 . 10323 1 744 . 1 1 69 69 HIS CE1 C 13 138.259 0.300 . 1 . . . . 69 HIS CE1 . 10323 1 745 . 1 1 69 69 HIS N N 15 119.372 0.300 . 1 . . . . 69 HIS N . 10323 1 746 . 1 1 70 70 THR H H 1 9.431 0.030 . 1 . . . . 70 THR H . 10323 1 747 . 1 1 70 70 THR HA H 1 4.739 0.030 . 1 . . . . 70 THR HA . 10323 1 748 . 1 1 70 70 THR HB H 1 3.975 0.030 . 1 . . . . 70 THR HB . 10323 1 749 . 1 1 70 70 THR HG21 H 1 1.154 0.030 . 1 . . . . 70 THR HG2 . 10323 1 750 . 1 1 70 70 THR HG22 H 1 1.154 0.030 . 1 . . . . 70 THR HG2 . 10323 1 751 . 1 1 70 70 THR HG23 H 1 1.154 0.030 . 1 . . . . 70 THR HG2 . 10323 1 752 . 1 1 70 70 THR C C 13 173.242 0.300 . 1 . . . . 70 THR C . 10323 1 753 . 1 1 70 70 THR CA C 13 62.787 0.300 . 1 . . . . 70 THR CA . 10323 1 754 . 1 1 70 70 THR CB C 13 70.226 0.300 . 1 . . . . 70 THR CB . 10323 1 755 . 1 1 70 70 THR CG2 C 13 22.416 0.300 . 1 . . . . 70 THR CG2 . 10323 1 756 . 1 1 70 70 THR N N 15 121.907 0.300 . 1 . . . . 70 THR N . 10323 1 757 . 1 1 71 71 VAL H H 1 9.273 0.030 . 1 . . . . 71 VAL H . 10323 1 758 . 1 1 71 71 VAL HA H 1 4.840 0.030 . 1 . . . . 71 VAL HA . 10323 1 759 . 1 1 71 71 VAL HB H 1 0.291 0.030 . 1 . . . . 71 VAL HB . 10323 1 760 . 1 1 71 71 VAL HG11 H 1 0.524 0.030 . 1 . . . . 71 VAL HG1 . 10323 1 761 . 1 1 71 71 VAL HG12 H 1 0.524 0.030 . 1 . . . . 71 VAL HG1 . 10323 1 762 . 1 1 71 71 VAL HG13 H 1 0.524 0.030 . 1 . . . . 71 VAL HG1 . 10323 1 763 . 1 1 71 71 VAL HG21 H 1 0.575 0.030 . 1 . . . . 71 VAL HG2 . 10323 1 764 . 1 1 71 71 VAL HG22 H 1 0.575 0.030 . 1 . . . . 71 VAL HG2 . 10323 1 765 . 1 1 71 71 VAL HG23 H 1 0.575 0.030 . 1 . . . . 71 VAL HG2 . 10323 1 766 . 1 1 71 71 VAL C C 13 174.789 0.300 . 1 . . . . 71 VAL C . 10323 1 767 . 1 1 71 71 VAL CA C 13 60.493 0.300 . 1 . . . . 71 VAL CA . 10323 1 768 . 1 1 71 71 VAL CB C 13 32.215 0.300 . 1 . . . . 71 VAL CB . 10323 1 769 . 1 1 71 71 VAL CG1 C 13 22.681 0.300 . 2 . . . . 71 VAL CG1 . 10323 1 770 . 1 1 71 71 VAL CG2 C 13 21.474 0.300 . 2 . . . . 71 VAL CG2 . 10323 1 771 . 1 1 71 71 VAL N N 15 131.841 0.300 . 1 . . . . 71 VAL N . 10323 1 772 . 1 1 72 72 THR H H 1 8.998 0.030 . 1 . . . . 72 THR H . 10323 1 773 . 1 1 72 72 THR HA H 1 5.789 0.030 . 1 . . . . 72 THR HA . 10323 1 774 . 1 1 72 72 THR HB H 1 4.136 0.030 . 1 . . . . 72 THR HB . 10323 1 775 . 1 1 72 72 THR HG21 H 1 1.152 0.030 . 1 . . . . 72 THR HG2 . 10323 1 776 . 1 1 72 72 THR HG22 H 1 1.152 0.030 . 1 . . . . 72 THR HG2 . 10323 1 777 . 1 1 72 72 THR HG23 H 1 1.152 0.030 . 1 . . . . 72 THR HG2 . 10323 1 778 . 1 1 72 72 THR C C 13 173.810 0.300 . 1 . . . . 72 THR C . 10323 1 779 . 1 1 72 72 THR CA C 13 58.575 0.300 . 1 . . . . 72 THR CA . 10323 1 780 . 1 1 72 72 THR CB C 13 72.645 0.300 . 1 . . . . 72 THR CB . 10323 1 781 . 1 1 72 72 THR CG2 C 13 21.870 0.300 . 1 . . . . 72 THR CG2 . 10323 1 782 . 1 1 72 72 THR N N 15 115.227 0.300 . 1 . . . . 72 THR N . 10323 1 783 . 1 1 73 73 TYR H H 1 8.547 0.030 . 1 . . . . 73 TYR H . 10323 1 784 . 1 1 73 73 TYR HA H 1 4.833 0.030 . 1 . . . . 73 TYR HA . 10323 1 785 . 1 1 73 73 TYR HB2 H 1 2.847 0.030 . 2 . . . . 73 TYR HB2 . 10323 1 786 . 1 1 73 73 TYR HB3 H 1 3.130 0.030 . 2 . . . . 73 TYR HB3 . 10323 1 787 . 1 1 73 73 TYR HD1 H 1 6.561 0.030 . 1 . . . . 73 TYR HD1 . 10323 1 788 . 1 1 73 73 TYR HD2 H 1 6.561 0.030 . 1 . . . . 73 TYR HD2 . 10323 1 789 . 1 1 73 73 TYR HE1 H 1 6.246 0.030 . 1 . . . . 73 TYR HE1 . 10323 1 790 . 1 1 73 73 TYR HE2 H 1 6.246 0.030 . 1 . . . . 73 TYR HE2 . 10323 1 791 . 1 1 73 73 TYR C C 13 171.779 0.300 . 1 . . . . 73 TYR C . 10323 1 792 . 1 1 73 73 TYR CA C 13 56.704 0.300 . 1 . . . . 73 TYR CA . 10323 1 793 . 1 1 73 73 TYR CB C 13 41.152 0.300 . 1 . . . . 73 TYR CB . 10323 1 794 . 1 1 73 73 TYR CD1 C 13 132.618 0.300 . 1 . . . . 73 TYR CD1 . 10323 1 795 . 1 1 73 73 TYR CD2 C 13 132.618 0.300 . 1 . . . . 73 TYR CD2 . 10323 1 796 . 1 1 73 73 TYR CE1 C 13 116.693 0.300 . 1 . . . . 73 TYR CE1 . 10323 1 797 . 1 1 73 73 TYR CE2 C 13 116.693 0.300 . 1 . . . . 73 TYR CE2 . 10323 1 798 . 1 1 73 73 TYR N N 15 117.581 0.300 . 1 . . . . 73 TYR N . 10323 1 799 . 1 1 74 74 THR H H 1 9.347 0.030 . 1 . . . . 74 THR H . 10323 1 800 . 1 1 74 74 THR HA H 1 4.770 0.030 . 1 . . . . 74 THR HA . 10323 1 801 . 1 1 74 74 THR HB H 1 3.852 0.030 . 1 . . . . 74 THR HB . 10323 1 802 . 1 1 74 74 THR HG21 H 1 0.735 0.030 . 1 . . . . 74 THR HG2 . 10323 1 803 . 1 1 74 74 THR HG22 H 1 0.735 0.030 . 1 . . . . 74 THR HG2 . 10323 1 804 . 1 1 74 74 THR HG23 H 1 0.735 0.030 . 1 . . . . 74 THR HG2 . 10323 1 805 . 1 1 74 74 THR C C 13 172.482 0.300 . 1 . . . . 74 THR C . 10323 1 806 . 1 1 74 74 THR CA C 13 58.857 0.300 . 1 . . . . 74 THR CA . 10323 1 807 . 1 1 74 74 THR CB C 13 70.266 0.300 . 1 . . . . 74 THR CB . 10323 1 808 . 1 1 74 74 THR CG2 C 13 19.983 0.300 . 1 . . . . 74 THR CG2 . 10323 1 809 . 1 1 74 74 THR N N 15 118.799 0.300 . 1 . . . . 74 THR N . 10323 1 810 . 1 1 75 75 PRO HA H 1 4.475 0.030 . 1 . . . . 75 PRO HA . 10323 1 811 . 1 1 75 75 PRO HB2 H 1 1.867 0.030 . 2 . . . . 75 PRO HB2 . 10323 1 812 . 1 1 75 75 PRO HB3 H 1 1.390 0.030 . 2 . . . . 75 PRO HB3 . 10323 1 813 . 1 1 75 75 PRO HD2 H 1 3.321 0.030 . 2 . . . . 75 PRO HD2 . 10323 1 814 . 1 1 75 75 PRO HD3 H 1 4.143 0.030 . 2 . . . . 75 PRO HD3 . 10323 1 815 . 1 1 75 75 PRO HG2 H 1 1.537 0.030 . 2 . . . . 75 PRO HG2 . 10323 1 816 . 1 1 75 75 PRO HG3 H 1 2.171 0.030 . 2 . . . . 75 PRO HG3 . 10323 1 817 . 1 1 75 75 PRO C C 13 176.994 0.300 . 1 . . . . 75 PRO C . 10323 1 818 . 1 1 75 75 PRO CA C 13 62.371 0.300 . 1 . . . . 75 PRO CA . 10323 1 819 . 1 1 75 75 PRO CB C 13 31.268 0.300 . 1 . . . . 75 PRO CB . 10323 1 820 . 1 1 75 75 PRO CD C 13 50.212 0.300 . 1 . . . . 75 PRO CD . 10323 1 821 . 1 1 75 75 PRO CG C 13 27.050 0.300 . 1 . . . . 75 PRO CG . 10323 1 822 . 1 1 76 76 SER H H 1 9.440 0.030 . 1 . . . . 76 SER H . 10323 1 823 . 1 1 76 76 SER HA H 1 4.184 0.030 . 1 . . . . 76 SER HA . 10323 1 824 . 1 1 76 76 SER HB2 H 1 4.043 0.030 . 2 . . . . 76 SER HB2 . 10323 1 825 . 1 1 76 76 SER HB3 H 1 4.142 0.030 . 2 . . . . 76 SER HB3 . 10323 1 826 . 1 1 76 76 SER C C 13 174.004 0.300 . 1 . . . . 76 SER C . 10323 1 827 . 1 1 76 76 SER CA C 13 60.450 0.300 . 1 . . . . 76 SER CA . 10323 1 828 . 1 1 76 76 SER CB C 13 64.187 0.300 . 1 . . . . 76 SER CB . 10323 1 829 . 1 1 76 76 SER N N 15 122.404 0.300 . 1 . . . . 76 SER N . 10323 1 830 . 1 1 77 77 GLN H H 1 8.016 0.030 . 1 . . . . 77 GLN H . 10323 1 831 . 1 1 77 77 GLN HA H 1 4.674 0.030 . 1 . . . . 77 GLN HA . 10323 1 832 . 1 1 77 77 GLN HB2 H 1 2.282 0.030 . 2 . . . . 77 GLN HB2 . 10323 1 833 . 1 1 77 77 GLN HB3 H 1 2.031 0.030 . 2 . . . . 77 GLN HB3 . 10323 1 834 . 1 1 77 77 GLN HE21 H 1 7.422 0.030 . 2 . . . . 77 GLN HE21 . 10323 1 835 . 1 1 77 77 GLN HE22 H 1 6.833 0.030 . 2 . . . . 77 GLN HE22 . 10323 1 836 . 1 1 77 77 GLN HG2 H 1 2.362 0.030 . 2 . . . . 77 GLN HG2 . 10323 1 837 . 1 1 77 77 GLN HG3 H 1 2.405 0.030 . 2 . . . . 77 GLN HG3 . 10323 1 838 . 1 1 77 77 GLN C C 13 172.533 0.300 . 1 . . . . 77 GLN C . 10323 1 839 . 1 1 77 77 GLN CA C 13 54.001 0.300 . 1 . . . . 77 GLN CA . 10323 1 840 . 1 1 77 77 GLN CB C 13 33.058 0.300 . 1 . . . . 77 GLN CB . 10323 1 841 . 1 1 77 77 GLN CG C 13 33.315 0.300 . 1 . . . . 77 GLN CG . 10323 1 842 . 1 1 77 77 GLN N N 15 118.775 0.300 . 1 . . . . 77 GLN N . 10323 1 843 . 1 1 77 77 GLN NE2 N 15 111.417 0.300 . 1 . . . . 77 GLN NE2 . 10323 1 844 . 1 1 78 78 GLU H H 1 8.207 0.030 . 1 . . . . 78 GLU H . 10323 1 845 . 1 1 78 78 GLU HA H 1 4.143 0.030 . 1 . . . . 78 GLU HA . 10323 1 846 . 1 1 78 78 GLU HB2 H 1 1.856 0.030 . 2 . . . . 78 GLU HB2 . 10323 1 847 . 1 1 78 78 GLU HB3 H 1 2.004 0.030 . 2 . . . . 78 GLU HB3 . 10323 1 848 . 1 1 78 78 GLU HG2 H 1 2.171 0.030 . 1 . . . . 78 GLU HG2 . 10323 1 849 . 1 1 78 78 GLU HG3 H 1 2.171 0.030 . 1 . . . . 78 GLU HG3 . 10323 1 850 . 1 1 78 78 GLU C C 13 175.855 0.300 . 1 . . . . 78 GLU C . 10323 1 851 . 1 1 78 78 GLU CA C 13 55.500 0.300 . 1 . . . . 78 GLU CA . 10323 1 852 . 1 1 78 78 GLU CB C 13 31.072 0.300 . 1 . . . . 78 GLU CB . 10323 1 853 . 1 1 78 78 GLU CG C 13 36.035 0.300 . 1 . . . . 78 GLU CG . 10323 1 854 . 1 1 78 78 GLU N N 15 115.242 0.300 . 1 . . . . 78 GLU N . 10323 1 855 . 1 1 79 79 GLY H H 1 8.706 0.030 . 1 . . . . 79 GLY H . 10323 1 856 . 1 1 79 79 GLY HA2 H 1 3.886 0.030 . 2 . . . . 79 GLY HA2 . 10323 1 857 . 1 1 79 79 GLY HA3 H 1 4.890 0.030 . 2 . . . . 79 GLY HA3 . 10323 1 858 . 1 1 79 79 GLY C C 13 171.684 0.300 . 1 . . . . 79 GLY C . 10323 1 859 . 1 1 79 79 GLY CA C 13 44.120 0.300 . 1 . . . . 79 GLY CA . 10323 1 860 . 1 1 79 79 GLY N N 15 108.056 0.300 . 1 . . . . 79 GLY N . 10323 1 861 . 1 1 80 80 PRO HA H 1 4.813 0.030 . 1 . . . . 80 PRO HA . 10323 1 862 . 1 1 80 80 PRO HB2 H 1 1.996 0.030 . 2 . . . . 80 PRO HB2 . 10323 1 863 . 1 1 80 80 PRO HB3 H 1 2.135 0.030 . 2 . . . . 80 PRO HB3 . 10323 1 864 . 1 1 80 80 PRO HD2 H 1 3.668 0.030 . 1 . . . . 80 PRO HD2 . 10323 1 865 . 1 1 80 80 PRO HD3 H 1 3.668 0.030 . 1 . . . . 80 PRO HD3 . 10323 1 866 . 1 1 80 80 PRO HG2 H 1 2.289 0.030 . 2 . . . . 80 PRO HG2 . 10323 1 867 . 1 1 80 80 PRO HG3 H 1 2.076 0.030 . 2 . . . . 80 PRO HG3 . 10323 1 868 . 1 1 80 80 PRO C C 13 176.296 0.300 . 1 . . . . 80 PRO C . 10323 1 869 . 1 1 80 80 PRO CA C 13 63.460 0.300 . 1 . . . . 80 PRO CA . 10323 1 870 . 1 1 80 80 PRO CB C 13 31.850 0.300 . 1 . . . . 80 PRO CB . 10323 1 871 . 1 1 80 80 PRO CD C 13 49.703 0.300 . 1 . . . . 80 PRO CD . 10323 1 872 . 1 1 80 80 PRO CG C 13 27.637 0.300 . 1 . . . . 80 PRO CG . 10323 1 873 . 1 1 81 81 TYR H H 1 9.507 0.030 . 1 . . . . 81 TYR H . 10323 1 874 . 1 1 81 81 TYR HA H 1 5.068 0.030 . 1 . . . . 81 TYR HA . 10323 1 875 . 1 1 81 81 TYR HB2 H 1 2.361 0.030 . 2 . . . . 81 TYR HB2 . 10323 1 876 . 1 1 81 81 TYR HB3 H 1 3.203 0.030 . 2 . . . . 81 TYR HB3 . 10323 1 877 . 1 1 81 81 TYR HD1 H 1 6.978 0.030 . 1 . . . . 81 TYR HD1 . 10323 1 878 . 1 1 81 81 TYR HD2 H 1 6.978 0.030 . 1 . . . . 81 TYR HD2 . 10323 1 879 . 1 1 81 81 TYR HE1 H 1 6.850 0.030 . 1 . . . . 81 TYR HE1 . 10323 1 880 . 1 1 81 81 TYR HE2 H 1 6.850 0.030 . 1 . . . . 81 TYR HE2 . 10323 1 881 . 1 1 81 81 TYR C C 13 176.539 0.300 . 1 . . . . 81 TYR C . 10323 1 882 . 1 1 81 81 TYR CA C 13 56.576 0.300 . 1 . . . . 81 TYR CA . 10323 1 883 . 1 1 81 81 TYR CB C 13 42.820 0.300 . 1 . . . . 81 TYR CB . 10323 1 884 . 1 1 81 81 TYR CD1 C 13 133.175 0.300 . 1 . . . . 81 TYR CD1 . 10323 1 885 . 1 1 81 81 TYR CD2 C 13 133.175 0.300 . 1 . . . . 81 TYR CD2 . 10323 1 886 . 1 1 81 81 TYR CE1 C 13 117.681 0.300 . 1 . . . . 81 TYR CE1 . 10323 1 887 . 1 1 81 81 TYR CE2 C 13 117.681 0.300 . 1 . . . . 81 TYR CE2 . 10323 1 888 . 1 1 81 81 TYR N N 15 127.196 0.300 . 1 . . . . 81 TYR N . 10323 1 889 . 1 1 82 82 MET H H 1 9.201 0.030 . 1 . . . . 82 MET H . 10323 1 890 . 1 1 82 82 MET HA H 1 5.413 0.030 . 1 . . . . 82 MET HA . 10323 1 891 . 1 1 82 82 MET HB2 H 1 1.792 0.030 . 2 . . . . 82 MET HB2 . 10323 1 892 . 1 1 82 82 MET HB3 H 1 1.927 0.030 . 2 . . . . 82 MET HB3 . 10323 1 893 . 1 1 82 82 MET HE1 H 1 1.944 0.030 . 1 . . . . 82 MET HE . 10323 1 894 . 1 1 82 82 MET HE2 H 1 1.944 0.030 . 1 . . . . 82 MET HE . 10323 1 895 . 1 1 82 82 MET HE3 H 1 1.944 0.030 . 1 . . . . 82 MET HE . 10323 1 896 . 1 1 82 82 MET HG2 H 1 2.369 0.030 . 2 . . . . 82 MET HG2 . 10323 1 897 . 1 1 82 82 MET HG3 H 1 2.497 0.030 . 2 . . . . 82 MET HG3 . 10323 1 898 . 1 1 82 82 MET C C 13 174.961 0.300 . 1 . . . . 82 MET C . 10323 1 899 . 1 1 82 82 MET CA C 13 53.824 0.300 . 1 . . . . 82 MET CA . 10323 1 900 . 1 1 82 82 MET CB C 13 36.067 0.300 . 1 . . . . 82 MET CB . 10323 1 901 . 1 1 82 82 MET CE C 13 16.917 0.300 . 1 . . . . 82 MET CE . 10323 1 902 . 1 1 82 82 MET CG C 13 32.111 0.300 . 1 . . . . 82 MET CG . 10323 1 903 . 1 1 82 82 MET N N 15 119.330 0.300 . 1 . . . . 82 MET N . 10323 1 904 . 1 1 83 83 VAL H H 1 9.319 0.030 . 1 . . . . 83 VAL H . 10323 1 905 . 1 1 83 83 VAL HA H 1 4.820 0.030 . 1 . . . . 83 VAL HA . 10323 1 906 . 1 1 83 83 VAL HB H 1 1.960 0.030 . 1 . . . . 83 VAL HB . 10323 1 907 . 1 1 83 83 VAL HG11 H 1 0.640 0.030 . 1 . . . . 83 VAL HG1 . 10323 1 908 . 1 1 83 83 VAL HG12 H 1 0.640 0.030 . 1 . . . . 83 VAL HG1 . 10323 1 909 . 1 1 83 83 VAL HG13 H 1 0.640 0.030 . 1 . . . . 83 VAL HG1 . 10323 1 910 . 1 1 83 83 VAL HG21 H 1 0.621 0.030 . 1 . . . . 83 VAL HG2 . 10323 1 911 . 1 1 83 83 VAL HG22 H 1 0.621 0.030 . 1 . . . . 83 VAL HG2 . 10323 1 912 . 1 1 83 83 VAL HG23 H 1 0.621 0.030 . 1 . . . . 83 VAL HG2 . 10323 1 913 . 1 1 83 83 VAL C C 13 175.183 0.300 . 1 . . . . 83 VAL C . 10323 1 914 . 1 1 83 83 VAL CA C 13 61.029 0.300 . 1 . . . . 83 VAL CA . 10323 1 915 . 1 1 83 83 VAL CB C 13 33.473 0.300 . 1 . . . . 83 VAL CB . 10323 1 916 . 1 1 83 83 VAL CG1 C 13 20.819 0.300 . 2 . . . . 83 VAL CG1 . 10323 1 917 . 1 1 83 83 VAL CG2 C 13 19.727 0.300 . 2 . . . . 83 VAL CG2 . 10323 1 918 . 1 1 83 83 VAL N N 15 124.930 0.300 . 1 . . . . 83 VAL N . 10323 1 919 . 1 1 84 84 SER H H 1 9.272 0.030 . 1 . . . . 84 SER H . 10323 1 920 . 1 1 84 84 SER HA H 1 5.030 0.030 . 1 . . . . 84 SER HA . 10323 1 921 . 1 1 84 84 SER HB2 H 1 3.607 0.030 . 2 . . . . 84 SER HB2 . 10323 1 922 . 1 1 84 84 SER HB3 H 1 3.752 0.030 . 2 . . . . 84 SER HB3 . 10323 1 923 . 1 1 84 84 SER C C 13 173.933 0.300 . 1 . . . . 84 SER C . 10323 1 924 . 1 1 84 84 SER CA C 13 56.005 0.300 . 1 . . . . 84 SER CA . 10323 1 925 . 1 1 84 84 SER CB C 13 64.027 0.300 . 1 . . . . 84 SER CB . 10323 1 926 . 1 1 84 84 SER N N 15 122.757 0.300 . 1 . . . . 84 SER N . 10323 1 927 . 1 1 85 85 VAL H H 1 9.023 0.030 . 1 . . . . 85 VAL H . 10323 1 928 . 1 1 85 85 VAL HA H 1 4.718 0.030 . 1 . . . . 85 VAL HA . 10323 1 929 . 1 1 85 85 VAL HB H 1 2.044 0.030 . 1 . . . . 85 VAL HB . 10323 1 930 . 1 1 85 85 VAL HG11 H 1 0.902 0.030 . 1 . . . . 85 VAL HG1 . 10323 1 931 . 1 1 85 85 VAL HG12 H 1 0.902 0.030 . 1 . . . . 85 VAL HG1 . 10323 1 932 . 1 1 85 85 VAL HG13 H 1 0.902 0.030 . 1 . . . . 85 VAL HG1 . 10323 1 933 . 1 1 85 85 VAL HG21 H 1 1.044 0.030 . 1 . . . . 85 VAL HG2 . 10323 1 934 . 1 1 85 85 VAL HG22 H 1 1.044 0.030 . 1 . . . . 85 VAL HG2 . 10323 1 935 . 1 1 85 85 VAL HG23 H 1 1.044 0.030 . 1 . . . . 85 VAL HG2 . 10323 1 936 . 1 1 85 85 VAL C C 13 173.216 0.300 . 1 . . . . 85 VAL C . 10323 1 937 . 1 1 85 85 VAL CA C 13 61.690 0.300 . 1 . . . . 85 VAL CA . 10323 1 938 . 1 1 85 85 VAL CB C 13 33.937 0.300 . 1 . . . . 85 VAL CB . 10323 1 939 . 1 1 85 85 VAL CG1 C 13 22.404 0.300 . 2 . . . . 85 VAL CG1 . 10323 1 940 . 1 1 85 85 VAL CG2 C 13 21.115 0.300 . 2 . . . . 85 VAL CG2 . 10323 1 941 . 1 1 85 85 VAL N N 15 128.196 0.300 . 1 . . . . 85 VAL N . 10323 1 942 . 1 1 86 86 LYS H H 1 9.042 0.030 . 1 . . . . 86 LYS H . 10323 1 943 . 1 1 86 86 LYS HA H 1 5.157 0.030 . 1 . . . . 86 LYS HA . 10323 1 944 . 1 1 86 86 LYS HB2 H 1 1.299 0.030 . 2 . . . . 86 LYS HB2 . 10323 1 945 . 1 1 86 86 LYS HB3 H 1 1.609 0.030 . 2 . . . . 86 LYS HB3 . 10323 1 946 . 1 1 86 86 LYS HD2 H 1 1.332 0.030 . 2 . . . . 86 LYS HD2 . 10323 1 947 . 1 1 86 86 LYS HD3 H 1 1.459 0.030 . 2 . . . . 86 LYS HD3 . 10323 1 948 . 1 1 86 86 LYS HE2 H 1 2.676 0.030 . 1 . . . . 86 LYS HE2 . 10323 1 949 . 1 1 86 86 LYS HE3 H 1 2.676 0.030 . 1 . . . . 86 LYS HE3 . 10323 1 950 . 1 1 86 86 LYS HG2 H 1 0.779 0.030 . 2 . . . . 86 LYS HG2 . 10323 1 951 . 1 1 86 86 LYS HG3 H 1 1.327 0.030 . 2 . . . . 86 LYS HG3 . 10323 1 952 . 1 1 86 86 LYS C C 13 174.551 0.300 . 1 . . . . 86 LYS C . 10323 1 953 . 1 1 86 86 LYS CA C 13 54.205 0.300 . 1 . . . . 86 LYS CA . 10323 1 954 . 1 1 86 86 LYS CB C 13 36.870 0.300 . 1 . . . . 86 LYS CB . 10323 1 955 . 1 1 86 86 LYS CD C 13 29.733 0.300 . 1 . . . . 86 LYS CD . 10323 1 956 . 1 1 86 86 LYS CE C 13 42.053 0.300 . 1 . . . . 86 LYS CE . 10323 1 957 . 1 1 86 86 LYS CG C 13 25.322 0.300 . 1 . . . . 86 LYS CG . 10323 1 958 . 1 1 86 86 LYS N N 15 125.027 0.300 . 1 . . . . 86 LYS N . 10323 1 959 . 1 1 87 87 TYR H H 1 9.116 0.030 . 1 . . . . 87 TYR H . 10323 1 960 . 1 1 87 87 TYR HA H 1 5.224 0.030 . 1 . . . . 87 TYR HA . 10323 1 961 . 1 1 87 87 TYR HB2 H 1 2.496 0.030 . 2 . . . . 87 TYR HB2 . 10323 1 962 . 1 1 87 87 TYR HB3 H 1 2.684 0.030 . 2 . . . . 87 TYR HB3 . 10323 1 963 . 1 1 87 87 TYR HD1 H 1 6.645 0.030 . 1 . . . . 87 TYR HD1 . 10323 1 964 . 1 1 87 87 TYR HD2 H 1 6.645 0.030 . 1 . . . . 87 TYR HD2 . 10323 1 965 . 1 1 87 87 TYR HE1 H 1 6.639 0.030 . 1 . . . . 87 TYR HE1 . 10323 1 966 . 1 1 87 87 TYR HE2 H 1 6.639 0.030 . 1 . . . . 87 TYR HE2 . 10323 1 967 . 1 1 87 87 TYR C C 13 175.468 0.300 . 1 . . . . 87 TYR C . 10323 1 968 . 1 1 87 87 TYR CA C 13 56.995 0.300 . 1 . . . . 87 TYR CA . 10323 1 969 . 1 1 87 87 TYR CB C 13 44.455 0.300 . 1 . . . . 87 TYR CB . 10323 1 970 . 1 1 87 87 TYR CD1 C 13 131.448 0.300 . 1 . . . . 87 TYR CD1 . 10323 1 971 . 1 1 87 87 TYR CD2 C 13 131.448 0.300 . 1 . . . . 87 TYR CD2 . 10323 1 972 . 1 1 87 87 TYR CE1 C 13 119.213 0.300 . 1 . . . . 87 TYR CE1 . 10323 1 973 . 1 1 87 87 TYR CE2 C 13 119.213 0.300 . 1 . . . . 87 TYR CE2 . 10323 1 974 . 1 1 87 87 TYR N N 15 123.703 0.300 . 1 . . . . 87 TYR N . 10323 1 975 . 1 1 88 88 ALA H H 1 8.226 0.030 . 1 . . . . 88 ALA H . 10323 1 976 . 1 1 88 88 ALA HA H 1 3.645 0.030 . 1 . . . . 88 ALA HA . 10323 1 977 . 1 1 88 88 ALA HB1 H 1 1.232 0.030 . 1 . . . . 88 ALA HB . 10323 1 978 . 1 1 88 88 ALA HB2 H 1 1.232 0.030 . 1 . . . . 88 ALA HB . 10323 1 979 . 1 1 88 88 ALA HB3 H 1 1.232 0.030 . 1 . . . . 88 ALA HB . 10323 1 980 . 1 1 88 88 ALA C C 13 176.396 0.300 . 1 . . . . 88 ALA C . 10323 1 981 . 1 1 88 88 ALA CA C 13 53.561 0.300 . 1 . . . . 88 ALA CA . 10323 1 982 . 1 1 88 88 ALA CB C 13 17.935 0.300 . 1 . . . . 88 ALA CB . 10323 1 983 . 1 1 88 88 ALA N N 15 126.802 0.300 . 1 . . . . 88 ALA N . 10323 1 984 . 1 1 89 89 ASP H H 1 9.326 0.030 . 1 . . . . 89 ASP H . 10323 1 985 . 1 1 89 89 ASP HA H 1 4.047 0.030 . 1 . . . . 89 ASP HA . 10323 1 986 . 1 1 89 89 ASP HB2 H 1 2.626 0.030 . 2 . . . . 89 ASP HB2 . 10323 1 987 . 1 1 89 89 ASP HB3 H 1 2.965 0.030 . 2 . . . . 89 ASP HB3 . 10323 1 988 . 1 1 89 89 ASP C C 13 174.608 0.300 . 1 . . . . 89 ASP C . 10323 1 989 . 1 1 89 89 ASP CA C 13 55.838 0.300 . 1 . . . . 89 ASP CA . 10323 1 990 . 1 1 89 89 ASP CB C 13 40.880 0.300 . 1 . . . . 89 ASP CB . 10323 1 991 . 1 1 89 89 ASP N N 15 111.419 0.300 . 1 . . . . 89 ASP N . 10323 1 992 . 1 1 90 90 GLU H H 1 7.629 0.030 . 1 . . . . 90 GLU H . 10323 1 993 . 1 1 90 90 GLU HA H 1 4.655 0.030 . 1 . . . . 90 GLU HA . 10323 1 994 . 1 1 90 90 GLU HB2 H 1 1.878 0.030 . 2 . . . . 90 GLU HB2 . 10323 1 995 . 1 1 90 90 GLU HB3 H 1 2.034 0.030 . 2 . . . . 90 GLU HB3 . 10323 1 996 . 1 1 90 90 GLU HG2 H 1 2.203 0.030 . 2 . . . . 90 GLU HG2 . 10323 1 997 . 1 1 90 90 GLU HG3 H 1 2.279 0.030 . 2 . . . . 90 GLU HG3 . 10323 1 998 . 1 1 90 90 GLU C C 13 175.395 0.300 . 1 . . . . 90 GLU C . 10323 1 999 . 1 1 90 90 GLU CA C 13 54.642 0.300 . 1 . . . . 90 GLU CA . 10323 1 1000 . 1 1 90 90 GLU CB C 13 32.602 0.300 . 1 . . . . 90 GLU CB . 10323 1 1001 . 1 1 90 90 GLU CG C 13 35.952 0.300 . 1 . . . . 90 GLU CG . 10323 1 1002 . 1 1 90 90 GLU N N 15 119.415 0.300 . 1 . . . . 90 GLU N . 10323 1 1003 . 1 1 91 91 GLU H H 1 8.709 0.030 . 1 . . . . 91 GLU H . 10323 1 1004 . 1 1 91 91 GLU HA H 1 4.427 0.030 . 1 . . . . 91 GLU HA . 10323 1 1005 . 1 1 91 91 GLU HB2 H 1 1.813 0.030 . 2 . . . . 91 GLU HB2 . 10323 1 1006 . 1 1 91 91 GLU HB3 H 1 2.025 0.030 . 2 . . . . 91 GLU HB3 . 10323 1 1007 . 1 1 91 91 GLU HG2 H 1 2.294 0.030 . 1 . . . . 91 GLU HG2 . 10323 1 1008 . 1 1 91 91 GLU HG3 H 1 2.294 0.030 . 1 . . . . 91 GLU HG3 . 10323 1 1009 . 1 1 91 91 GLU C C 13 177.831 0.300 . 1 . . . . 91 GLU C . 10323 1 1010 . 1 1 91 91 GLU CA C 13 57.433 0.300 . 1 . . . . 91 GLU CA . 10323 1 1011 . 1 1 91 91 GLU CB C 13 29.052 0.300 . 1 . . . . 91 GLU CB . 10323 1 1012 . 1 1 91 91 GLU CG C 13 35.705 0.300 . 1 . . . . 91 GLU CG . 10323 1 1013 . 1 1 91 91 GLU N N 15 124.045 0.300 . 1 . . . . 91 GLU N . 10323 1 1014 . 1 1 92 92 ILE H H 1 8.252 0.030 . 1 . . . . 92 ILE H . 10323 1 1015 . 1 1 92 92 ILE HA H 1 4.366 0.030 . 1 . . . . 92 ILE HA . 10323 1 1016 . 1 1 92 92 ILE HB H 1 2.202 0.030 . 1 . . . . 92 ILE HB . 10323 1 1017 . 1 1 92 92 ILE HD11 H 1 0.854 0.030 . 1 . . . . 92 ILE HD1 . 10323 1 1018 . 1 1 92 92 ILE HD12 H 1 0.854 0.030 . 1 . . . . 92 ILE HD1 . 10323 1 1019 . 1 1 92 92 ILE HD13 H 1 0.854 0.030 . 1 . . . . 92 ILE HD1 . 10323 1 1020 . 1 1 92 92 ILE HG12 H 1 1.462 0.030 . 2 . . . . 92 ILE HG12 . 10323 1 1021 . 1 1 92 92 ILE HG13 H 1 1.523 0.030 . 2 . . . . 92 ILE HG13 . 10323 1 1022 . 1 1 92 92 ILE HG21 H 1 0.994 0.030 . 1 . . . . 92 ILE HG2 . 10323 1 1023 . 1 1 92 92 ILE HG22 H 1 0.994 0.030 . 1 . . . . 92 ILE HG2 . 10323 1 1024 . 1 1 92 92 ILE HG23 H 1 0.994 0.030 . 1 . . . . 92 ILE HG2 . 10323 1 1025 . 1 1 92 92 ILE C C 13 173.028 0.300 . 1 . . . . 92 ILE C . 10323 1 1026 . 1 1 92 92 ILE CA C 13 61.327 0.300 . 1 . . . . 92 ILE CA . 10323 1 1027 . 1 1 92 92 ILE CB C 13 35.851 0.300 . 1 . . . . 92 ILE CB . 10323 1 1028 . 1 1 92 92 ILE CD1 C 13 15.418 0.300 . 1 . . . . 92 ILE CD1 . 10323 1 1029 . 1 1 92 92 ILE CG1 C 13 24.894 0.300 . 1 . . . . 92 ILE CG1 . 10323 1 1030 . 1 1 92 92 ILE CG2 C 13 18.092 0.300 . 1 . . . . 92 ILE CG2 . 10323 1 1031 . 1 1 92 92 ILE N N 15 120.685 0.300 . 1 . . . . 92 ILE N . 10323 1 1032 . 1 1 93 93 PRO HA H 1 4.251 0.030 . 1 . . . . 93 PRO HA . 10323 1 1033 . 1 1 93 93 PRO HB2 H 1 1.908 0.030 . 2 . . . . 93 PRO HB2 . 10323 1 1034 . 1 1 93 93 PRO HB3 H 1 2.373 0.030 . 2 . . . . 93 PRO HB3 . 10323 1 1035 . 1 1 93 93 PRO HD2 H 1 3.556 0.030 . 2 . . . . 93 PRO HD2 . 10323 1 1036 . 1 1 93 93 PRO HD3 H 1 4.069 0.030 . 2 . . . . 93 PRO HD3 . 10323 1 1037 . 1 1 93 93 PRO HG2 H 1 2.013 0.030 . 2 . . . . 93 PRO HG2 . 10323 1 1038 . 1 1 93 93 PRO HG3 H 1 2.353 0.030 . 2 . . . . 93 PRO HG3 . 10323 1 1039 . 1 1 93 93 PRO C C 13 176.684 0.300 . 1 . . . . 93 PRO C . 10323 1 1040 . 1 1 93 93 PRO CA C 13 65.393 0.300 . 1 . . . . 93 PRO CA . 10323 1 1041 . 1 1 93 93 PRO CB C 13 31.109 0.300 . 1 . . . . 93 PRO CB . 10323 1 1042 . 1 1 93 93 PRO CD C 13 50.806 0.300 . 1 . . . . 93 PRO CD . 10323 1 1043 . 1 1 93 93 PRO CG C 13 28.562 0.300 . 1 . . . . 93 PRO CG . 10323 1 1044 . 1 1 94 94 ARG H H 1 8.236 0.030 . 1 . . . . 94 ARG H . 10323 1 1045 . 1 1 94 94 ARG HA H 1 3.527 0.030 . 1 . . . . 94 ARG HA . 10323 1 1046 . 1 1 94 94 ARG HB2 H 1 2.442 0.030 . 2 . . . . 94 ARG HB2 . 10323 1 1047 . 1 1 94 94 ARG HB3 H 1 1.808 0.030 . 2 . . . . 94 ARG HB3 . 10323 1 1048 . 1 1 94 94 ARG HD2 H 1 3.297 0.030 . 1 . . . . 94 ARG HD2 . 10323 1 1049 . 1 1 94 94 ARG HD3 H 1 3.297 0.030 . 1 . . . . 94 ARG HD3 . 10323 1 1050 . 1 1 94 94 ARG HG2 H 1 1.573 0.030 . 1 . . . . 94 ARG HG2 . 10323 1 1051 . 1 1 94 94 ARG HG3 H 1 1.573 0.030 . 1 . . . . 94 ARG HG3 . 10323 1 1052 . 1 1 94 94 ARG C C 13 173.233 0.300 . 1 . . . . 94 ARG C . 10323 1 1053 . 1 1 94 94 ARG CA C 13 58.848 0.300 . 1 . . . . 94 ARG CA . 10323 1 1054 . 1 1 94 94 ARG CB C 13 28.042 0.300 . 1 . . . . 94 ARG CB . 10323 1 1055 . 1 1 94 94 ARG CD C 13 43.770 0.300 . 1 . . . . 94 ARG CD . 10323 1 1056 . 1 1 94 94 ARG CG C 13 27.874 0.300 . 1 . . . . 94 ARG CG . 10323 1 1057 . 1 1 94 94 ARG N N 15 113.723 0.300 . 1 . . . . 94 ARG N . 10323 1 1058 . 1 1 95 95 SER H H 1 7.441 0.030 . 1 . . . . 95 SER H . 10323 1 1059 . 1 1 95 95 SER HA H 1 3.874 0.030 . 1 . . . . 95 SER HA . 10323 1 1060 . 1 1 95 95 SER HB2 H 1 3.587 0.030 . 2 . . . . 95 SER HB2 . 10323 1 1061 . 1 1 95 95 SER HB3 H 1 4.316 0.030 . 2 . . . . 95 SER HB3 . 10323 1 1062 . 1 1 95 95 SER C C 13 174.470 0.300 . 1 . . . . 95 SER C . 10323 1 1063 . 1 1 95 95 SER CA C 13 54.761 0.300 . 1 . . . . 95 SER CA . 10323 1 1064 . 1 1 95 95 SER CB C 13 64.720 0.300 . 1 . . . . 95 SER CB . 10323 1 1065 . 1 1 95 95 SER N N 15 112.371 0.300 . 1 . . . . 95 SER N . 10323 1 1066 . 1 1 96 96 PRO HA H 1 5.381 0.030 . 1 . . . . 96 PRO HA . 10323 1 1067 . 1 1 96 96 PRO HB2 H 1 1.672 0.030 . 2 . . . . 96 PRO HB2 . 10323 1 1068 . 1 1 96 96 PRO HB3 H 1 2.056 0.030 . 2 . . . . 96 PRO HB3 . 10323 1 1069 . 1 1 96 96 PRO HD2 H 1 3.420 0.030 . 1 . . . . 96 PRO HD2 . 10323 1 1070 . 1 1 96 96 PRO HD3 H 1 3.420 0.030 . 1 . . . . 96 PRO HD3 . 10323 1 1071 . 1 1 96 96 PRO HG2 H 1 1.792 0.030 . 2 . . . . 96 PRO HG2 . 10323 1 1072 . 1 1 96 96 PRO HG3 H 1 1.877 0.030 . 2 . . . . 96 PRO HG3 . 10323 1 1073 . 1 1 96 96 PRO C C 13 175.242 0.300 . 1 . . . . 96 PRO C . 10323 1 1074 . 1 1 96 96 PRO CA C 13 62.054 0.300 . 1 . . . . 96 PRO CA . 10323 1 1075 . 1 1 96 96 PRO CB C 13 34.387 0.300 . 1 . . . . 96 PRO CB . 10323 1 1076 . 1 1 96 96 PRO CD C 13 50.511 0.300 . 1 . . . . 96 PRO CD . 10323 1 1077 . 1 1 96 96 PRO CG C 13 25.086 0.300 . 1 . . . . 96 PRO CG . 10323 1 1078 . 1 1 97 97 PHE H H 1 9.303 0.030 . 1 . . . . 97 PHE H . 10323 1 1079 . 1 1 97 97 PHE HA H 1 4.433 0.030 . 1 . . . . 97 PHE HA . 10323 1 1080 . 1 1 97 97 PHE HB2 H 1 2.768 0.030 . 2 . . . . 97 PHE HB2 . 10323 1 1081 . 1 1 97 97 PHE HB3 H 1 3.085 0.030 . 2 . . . . 97 PHE HB3 . 10323 1 1082 . 1 1 97 97 PHE HD1 H 1 7.260 0.030 . 1 . . . . 97 PHE HD1 . 10323 1 1083 . 1 1 97 97 PHE HD2 H 1 7.260 0.030 . 1 . . . . 97 PHE HD2 . 10323 1 1084 . 1 1 97 97 PHE HE1 H 1 7.047 0.030 . 1 . . . . 97 PHE HE1 . 10323 1 1085 . 1 1 97 97 PHE HE2 H 1 7.047 0.030 . 1 . . . . 97 PHE HE2 . 10323 1 1086 . 1 1 97 97 PHE HZ H 1 7.103 0.030 . 1 . . . . 97 PHE HZ . 10323 1 1087 . 1 1 97 97 PHE C C 13 175.606 0.300 . 1 . . . . 97 PHE C . 10323 1 1088 . 1 1 97 97 PHE CA C 13 57.329 0.300 . 1 . . . . 97 PHE CA . 10323 1 1089 . 1 1 97 97 PHE CB C 13 40.191 0.300 . 1 . . . . 97 PHE CB . 10323 1 1090 . 1 1 97 97 PHE CD1 C 13 132.135 0.300 . 1 . . . . 97 PHE CD1 . 10323 1 1091 . 1 1 97 97 PHE CD2 C 13 132.135 0.300 . 1 . . . . 97 PHE CD2 . 10323 1 1092 . 1 1 97 97 PHE CE1 C 13 130.589 0.300 . 1 . . . . 97 PHE CE1 . 10323 1 1093 . 1 1 97 97 PHE CE2 C 13 130.589 0.300 . 1 . . . . 97 PHE CE2 . 10323 1 1094 . 1 1 97 97 PHE CZ C 13 129.819 0.300 . 1 . . . . 97 PHE CZ . 10323 1 1095 . 1 1 97 97 PHE N N 15 122.540 0.300 . 1 . . . . 97 PHE N . 10323 1 1096 . 1 1 98 98 LYS H H 1 8.789 0.030 . 1 . . . . 98 LYS H . 10323 1 1097 . 1 1 98 98 LYS HA H 1 4.956 0.030 . 1 . . . . 98 LYS HA . 10323 1 1098 . 1 1 98 98 LYS HB2 H 1 1.745 0.030 . 2 . . . . 98 LYS HB2 . 10323 1 1099 . 1 1 98 98 LYS HB3 H 1 1.859 0.030 . 2 . . . . 98 LYS HB3 . 10323 1 1100 . 1 1 98 98 LYS HD2 H 1 1.685 0.030 . 1 . . . . 98 LYS HD2 . 10323 1 1101 . 1 1 98 98 LYS HD3 H 1 1.685 0.030 . 1 . . . . 98 LYS HD3 . 10323 1 1102 . 1 1 98 98 LYS HE2 H 1 2.943 0.030 . 1 . . . . 98 LYS HE2 . 10323 1 1103 . 1 1 98 98 LYS HE3 H 1 2.943 0.030 . 1 . . . . 98 LYS HE3 . 10323 1 1104 . 1 1 98 98 LYS HG2 H 1 1.354 0.030 . 2 . . . . 98 LYS HG2 . 10323 1 1105 . 1 1 98 98 LYS HG3 H 1 1.520 0.030 . 2 . . . . 98 LYS HG3 . 10323 1 1106 . 1 1 98 98 LYS C C 13 176.430 0.300 . 1 . . . . 98 LYS C . 10323 1 1107 . 1 1 98 98 LYS CA C 13 56.282 0.300 . 1 . . . . 98 LYS CA . 10323 1 1108 . 1 1 98 98 LYS CB C 13 32.693 0.300 . 1 . . . . 98 LYS CB . 10323 1 1109 . 1 1 98 98 LYS CD C 13 29.276 0.300 . 1 . . . . 98 LYS CD . 10323 1 1110 . 1 1 98 98 LYS CE C 13 42.052 0.300 . 1 . . . . 98 LYS CE . 10323 1 1111 . 1 1 98 98 LYS CG C 13 25.246 0.300 . 1 . . . . 98 LYS CG . 10323 1 1112 . 1 1 98 98 LYS N N 15 124.598 0.300 . 1 . . . . 98 LYS N . 10323 1 1113 . 1 1 99 99 VAL H H 1 8.791 0.030 . 1 . . . . 99 VAL H . 10323 1 1114 . 1 1 99 99 VAL HA H 1 4.193 0.030 . 1 . . . . 99 VAL HA . 10323 1 1115 . 1 1 99 99 VAL HB H 1 1.770 0.030 . 1 . . . . 99 VAL HB . 10323 1 1116 . 1 1 99 99 VAL HG11 H 1 0.822 0.030 . 1 . . . . 99 VAL HG1 . 10323 1 1117 . 1 1 99 99 VAL HG12 H 1 0.822 0.030 . 1 . . . . 99 VAL HG1 . 10323 1 1118 . 1 1 99 99 VAL HG13 H 1 0.822 0.030 . 1 . . . . 99 VAL HG1 . 10323 1 1119 . 1 1 99 99 VAL HG21 H 1 0.822 0.030 . 1 . . . . 99 VAL HG2 . 10323 1 1120 . 1 1 99 99 VAL HG22 H 1 0.822 0.030 . 1 . . . . 99 VAL HG2 . 10323 1 1121 . 1 1 99 99 VAL HG23 H 1 0.822 0.030 . 1 . . . . 99 VAL HG2 . 10323 1 1122 . 1 1 99 99 VAL C C 13 173.942 0.300 . 1 . . . . 99 VAL C . 10323 1 1123 . 1 1 99 99 VAL CA C 13 61.340 0.300 . 1 . . . . 99 VAL CA . 10323 1 1124 . 1 1 99 99 VAL CB C 13 35.851 0.300 . 1 . . . . 99 VAL CB . 10323 1 1125 . 1 1 99 99 VAL CG1 C 13 20.950 0.300 . 1 . . . . 99 VAL CG1 . 10323 1 1126 . 1 1 99 99 VAL CG2 C 13 20.950 0.300 . 1 . . . . 99 VAL CG2 . 10323 1 1127 . 1 1 99 99 VAL N N 15 127.369 0.300 . 1 . . . . 99 VAL N . 10323 1 1128 . 1 1 100 100 LYS H H 1 8.812 0.030 . 1 . . . . 100 LYS H . 10323 1 1129 . 1 1 100 100 LYS HA H 1 4.462 0.030 . 1 . . . . 100 LYS HA . 10323 1 1130 . 1 1 100 100 LYS HB2 H 1 1.695 0.030 . 2 . . . . 100 LYS HB2 . 10323 1 1131 . 1 1 100 100 LYS HB3 H 1 1.848 0.030 . 2 . . . . 100 LYS HB3 . 10323 1 1132 . 1 1 100 100 LYS HD2 H 1 1.688 0.030 . 1 . . . . 100 LYS HD2 . 10323 1 1133 . 1 1 100 100 LYS HD3 H 1 1.688 0.030 . 1 . . . . 100 LYS HD3 . 10323 1 1134 . 1 1 100 100 LYS HE2 H 1 2.985 0.030 . 1 . . . . 100 LYS HE2 . 10323 1 1135 . 1 1 100 100 LYS HE3 H 1 2.985 0.030 . 1 . . . . 100 LYS HE3 . 10323 1 1136 . 1 1 100 100 LYS HG2 H 1 1.155 0.030 . 2 . . . . 100 LYS HG2 . 10323 1 1137 . 1 1 100 100 LYS HG3 H 1 1.295 0.030 . 2 . . . . 100 LYS HG3 . 10323 1 1138 . 1 1 100 100 LYS C C 13 174.646 0.300 . 1 . . . . 100 LYS C . 10323 1 1139 . 1 1 100 100 LYS CA C 13 55.606 0.300 . 1 . . . . 100 LYS CA . 10323 1 1140 . 1 1 100 100 LYS CB C 13 32.043 0.300 . 1 . . . . 100 LYS CB . 10323 1 1141 . 1 1 100 100 LYS CD C 13 29.276 0.300 . 1 . . . . 100 LYS CD . 10323 1 1142 . 1 1 100 100 LYS CE C 13 42.038 0.300 . 1 . . . . 100 LYS CE . 10323 1 1143 . 1 1 100 100 LYS CG C 13 25.080 0.300 . 1 . . . . 100 LYS CG . 10323 1 1144 . 1 1 100 100 LYS N N 15 129.278 0.300 . 1 . . . . 100 LYS N . 10323 1 1145 . 1 1 101 101 VAL H H 1 8.758 0.030 . 1 . . . . 101 VAL H . 10323 1 1146 . 1 1 101 101 VAL HA H 1 3.917 0.030 . 1 . . . . 101 VAL HA . 10323 1 1147 . 1 1 101 101 VAL HB H 1 2.587 0.030 . 1 . . . . 101 VAL HB . 10323 1 1148 . 1 1 101 101 VAL HG11 H 1 0.787 0.030 . 1 . . . . 101 VAL HG1 . 10323 1 1149 . 1 1 101 101 VAL HG12 H 1 0.787 0.030 . 1 . . . . 101 VAL HG1 . 10323 1 1150 . 1 1 101 101 VAL HG13 H 1 0.787 0.030 . 1 . . . . 101 VAL HG1 . 10323 1 1151 . 1 1 101 101 VAL HG21 H 1 0.529 0.030 . 1 . . . . 101 VAL HG2 . 10323 1 1152 . 1 1 101 101 VAL HG22 H 1 0.529 0.030 . 1 . . . . 101 VAL HG2 . 10323 1 1153 . 1 1 101 101 VAL HG23 H 1 0.529 0.030 . 1 . . . . 101 VAL HG2 . 10323 1 1154 . 1 1 101 101 VAL C C 13 177.335 0.300 . 1 . . . . 101 VAL C . 10323 1 1155 . 1 1 101 101 VAL CA C 13 63.769 0.300 . 1 . . . . 101 VAL CA . 10323 1 1156 . 1 1 101 101 VAL CB C 13 30.586 0.300 . 1 . . . . 101 VAL CB . 10323 1 1157 . 1 1 101 101 VAL CG1 C 13 22.519 0.300 . 2 . . . . 101 VAL CG1 . 10323 1 1158 . 1 1 101 101 VAL CG2 C 13 22.681 0.300 . 2 . . . . 101 VAL CG2 . 10323 1 1159 . 1 1 101 101 VAL N N 15 129.549 0.300 . 1 . . . . 101 VAL N . 10323 1 1160 . 1 1 102 102 LEU H H 1 9.141 0.030 . 1 . . . . 102 LEU H . 10323 1 1161 . 1 1 102 102 LEU HA H 1 4.537 0.030 . 1 . . . . 102 LEU HA . 10323 1 1162 . 1 1 102 102 LEU HB2 H 1 1.671 0.030 . 2 . . . . 102 LEU HB2 . 10323 1 1163 . 1 1 102 102 LEU HB3 H 1 1.604 0.030 . 2 . . . . 102 LEU HB3 . 10323 1 1164 . 1 1 102 102 LEU HD11 H 1 0.909 0.030 . 1 . . . . 102 LEU HD1 . 10323 1 1165 . 1 1 102 102 LEU HD12 H 1 0.909 0.030 . 1 . . . . 102 LEU HD1 . 10323 1 1166 . 1 1 102 102 LEU HD13 H 1 0.909 0.030 . 1 . . . . 102 LEU HD1 . 10323 1 1167 . 1 1 102 102 LEU HD21 H 1 0.926 0.030 . 1 . . . . 102 LEU HD2 . 10323 1 1168 . 1 1 102 102 LEU HD22 H 1 0.926 0.030 . 1 . . . . 102 LEU HD2 . 10323 1 1169 . 1 1 102 102 LEU HD23 H 1 0.926 0.030 . 1 . . . . 102 LEU HD2 . 10323 1 1170 . 1 1 102 102 LEU HG H 1 1.904 0.030 . 1 . . . . 102 LEU HG . 10323 1 1171 . 1 1 102 102 LEU C C 13 173.393 0.300 . 1 . . . . 102 LEU C . 10323 1 1172 . 1 1 102 102 LEU CA C 13 53.763 0.300 . 1 . . . . 102 LEU CA . 10323 1 1173 . 1 1 102 102 LEU CB C 13 41.663 0.300 . 1 . . . . 102 LEU CB . 10323 1 1174 . 1 1 102 102 LEU CD1 C 13 25.083 0.300 . 2 . . . . 102 LEU CD1 . 10323 1 1175 . 1 1 102 102 LEU CD2 C 13 22.284 0.300 . 2 . . . . 102 LEU CD2 . 10323 1 1176 . 1 1 102 102 LEU CG C 13 27.142 0.300 . 1 . . . . 102 LEU CG . 10323 1 1177 . 1 1 102 102 LEU N N 15 132.344 0.300 . 1 . . . . 102 LEU N . 10323 1 1178 . 1 1 103 103 PRO HA H 1 4.393 0.030 . 1 . . . . 103 PRO HA . 10323 1 1179 . 1 1 103 103 PRO HB2 H 1 1.856 0.030 . 2 . . . . 103 PRO HB2 . 10323 1 1180 . 1 1 103 103 PRO HB3 H 1 2.314 0.030 . 2 . . . . 103 PRO HB3 . 10323 1 1181 . 1 1 103 103 PRO HD2 H 1 3.619 0.030 . 2 . . . . 103 PRO HD2 . 10323 1 1182 . 1 1 103 103 PRO HD3 H 1 3.715 0.030 . 2 . . . . 103 PRO HD3 . 10323 1 1183 . 1 1 103 103 PRO HG2 H 1 1.970 0.030 . 2 . . . . 103 PRO HG2 . 10323 1 1184 . 1 1 103 103 PRO HG3 H 1 2.044 0.030 . 2 . . . . 103 PRO HG3 . 10323 1 1185 . 1 1 103 103 PRO C C 13 175.675 0.300 . 1 . . . . 103 PRO C . 10323 1 1186 . 1 1 103 103 PRO CA C 13 62.562 0.300 . 1 . . . . 103 PRO CA . 10323 1 1187 . 1 1 103 103 PRO CB C 13 32.197 0.300 . 1 . . . . 103 PRO CB . 10323 1 1188 . 1 1 103 103 PRO CD C 13 50.130 0.300 . 1 . . . . 103 PRO CD . 10323 1 1189 . 1 1 103 103 PRO CG C 13 27.627 0.300 . 1 . . . . 103 PRO CG . 10323 1 1190 . 1 1 104 104 THR H H 1 8.233 0.030 . 1 . . . . 104 THR H . 10323 1 1191 . 1 1 104 104 THR HA H 1 3.742 0.030 . 1 . . . . 104 THR HA . 10323 1 1192 . 1 1 104 104 THR HB H 1 3.623 0.030 . 1 . . . . 104 THR HB . 10323 1 1193 . 1 1 104 104 THR HG21 H 1 0.848 0.030 . 1 . . . . 104 THR HG2 . 10323 1 1194 . 1 1 104 104 THR HG22 H 1 0.848 0.030 . 1 . . . . 104 THR HG2 . 10323 1 1195 . 1 1 104 104 THR HG23 H 1 0.848 0.030 . 1 . . . . 104 THR HG2 . 10323 1 1196 . 1 1 104 104 THR C C 13 173.901 0.300 . 1 . . . . 104 THR C . 10323 1 1197 . 1 1 104 104 THR CA C 13 65.527 0.300 . 1 . . . . 104 THR CA . 10323 1 1198 . 1 1 104 104 THR CB C 13 69.870 0.300 . 1 . . . . 104 THR CB . 10323 1 1199 . 1 1 104 104 THR CG2 C 13 21.610 0.300 . 1 . . . . 104 THR CG2 . 10323 1 1200 . 1 1 104 104 THR N N 15 115.514 0.300 . 1 . . . . 104 THR N . 10323 1 1201 . 1 1 105 105 TYR H H 1 7.845 0.030 . 1 . . . . 105 TYR H . 10323 1 1202 . 1 1 105 105 TYR HA H 1 4.650 0.030 . 1 . . . . 105 TYR HA . 10323 1 1203 . 1 1 105 105 TYR HB2 H 1 2.734 0.030 . 2 . . . . 105 TYR HB2 . 10323 1 1204 . 1 1 105 105 TYR HB3 H 1 3.086 0.030 . 2 . . . . 105 TYR HB3 . 10323 1 1205 . 1 1 105 105 TYR HD1 H 1 7.109 0.030 . 1 . . . . 105 TYR HD1 . 10323 1 1206 . 1 1 105 105 TYR HD2 H 1 7.109 0.030 . 1 . . . . 105 TYR HD2 . 10323 1 1207 . 1 1 105 105 TYR HE1 H 1 6.799 0.030 . 1 . . . . 105 TYR HE1 . 10323 1 1208 . 1 1 105 105 TYR HE2 H 1 6.799 0.030 . 1 . . . . 105 TYR HE2 . 10323 1 1209 . 1 1 105 105 TYR C C 13 175.271 0.300 . 1 . . . . 105 TYR C . 10323 1 1210 . 1 1 105 105 TYR CA C 13 56.503 0.300 . 1 . . . . 105 TYR CA . 10323 1 1211 . 1 1 105 105 TYR CB C 13 39.760 0.300 . 1 . . . . 105 TYR CB . 10323 1 1212 . 1 1 105 105 TYR CD1 C 13 133.337 0.300 . 1 . . . . 105 TYR CD1 . 10323 1 1213 . 1 1 105 105 TYR CD2 C 13 133.337 0.300 . 1 . . . . 105 TYR CD2 . 10323 1 1214 . 1 1 105 105 TYR CE1 C 13 118.104 0.300 . 1 . . . . 105 TYR CE1 . 10323 1 1215 . 1 1 105 105 TYR CE2 C 13 118.104 0.300 . 1 . . . . 105 TYR CE2 . 10323 1 1216 . 1 1 105 105 TYR N N 15 117.206 0.300 . 1 . . . . 105 TYR N . 10323 1 1217 . 1 1 106 106 ASP H H 1 8.451 0.030 . 1 . . . . 106 ASP H . 10323 1 1218 . 1 1 106 106 ASP HA H 1 4.578 0.030 . 1 . . . . 106 ASP HA . 10323 1 1219 . 1 1 106 106 ASP HB2 H 1 2.563 0.030 . 2 . . . . 106 ASP HB2 . 10323 1 1220 . 1 1 106 106 ASP HB3 H 1 2.721 0.030 . 2 . . . . 106 ASP HB3 . 10323 1 1221 . 1 1 106 106 ASP C C 13 175.683 0.300 . 1 . . . . 106 ASP C . 10323 1 1222 . 1 1 106 106 ASP CA C 13 54.416 0.300 . 1 . . . . 106 ASP CA . 10323 1 1223 . 1 1 106 106 ASP CB C 13 41.355 0.300 . 1 . . . . 106 ASP CB . 10323 1 1224 . 1 1 106 106 ASP N N 15 122.061 0.300 . 1 . . . . 106 ASP N . 10323 1 1225 . 1 1 107 107 ALA H H 1 8.296 0.030 . 1 . . . . 107 ALA H . 10323 1 1226 . 1 1 107 107 ALA HA H 1 4.384 0.030 . 1 . . . . 107 ALA HA . 10323 1 1227 . 1 1 107 107 ALA HB1 H 1 1.416 0.030 . 1 . . . . 107 ALA HB . 10323 1 1228 . 1 1 107 107 ALA HB2 H 1 1.416 0.030 . 1 . . . . 107 ALA HB . 10323 1 1229 . 1 1 107 107 ALA HB3 H 1 1.416 0.030 . 1 . . . . 107 ALA HB . 10323 1 1230 . 1 1 107 107 ALA C C 13 176.804 0.300 . 1 . . . . 107 ALA C . 10323 1 1231 . 1 1 107 107 ALA CA C 13 52.434 0.300 . 1 . . . . 107 ALA CA . 10323 1 1232 . 1 1 107 107 ALA CB C 13 19.401 0.300 . 1 . . . . 107 ALA CB . 10323 1 1233 . 1 1 107 107 ALA N N 15 125.442 0.300 . 1 . . . . 107 ALA N . 10323 1 1234 . 1 1 108 108 SER H H 1 7.976 0.030 . 1 . . . . 108 SER H . 10323 1 1235 . 1 1 108 108 SER HA H 1 4.238 0.030 . 1 . . . . 108 SER HA . 10323 1 1236 . 1 1 108 108 SER HB2 H 1 3.855 0.030 . 1 . . . . 108 SER HB2 . 10323 1 1237 . 1 1 108 108 SER HB3 H 1 3.855 0.030 . 1 . . . . 108 SER HB3 . 10323 1 1238 . 1 1 108 108 SER C C 13 178.740 0.300 . 1 . . . . 108 SER C . 10323 1 1239 . 1 1 108 108 SER CA C 13 60.126 0.300 . 1 . . . . 108 SER CA . 10323 1 1240 . 1 1 108 108 SER CB C 13 64.866 0.300 . 1 . . . . 108 SER CB . 10323 1 1241 . 1 1 108 108 SER N N 15 121.142 0.300 . 1 . . . . 108 SER N . 10323 1 stop_ save_