data_10320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10320 _Entry.Title ; Solution structure of the 9th 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 . . . 10320 2 S. Koshiba . . . 10320 3 S. Watanabe . . . 10320 4 T. Harada . . . 10320 5 T. Kigawa . . . 10320 6 S. Yokoyama . . . 10320 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' 10320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 10320 '15N chemical shifts' 107 10320 '1H chemical shifts' 782 10320 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 . 10320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DI9 'BMRB Entry Tracking System' 10320 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10320 _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 9th 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 . . . 10320 1 2 S. Koshiba . . . 10320 1 3 S. Watanabe . . . 10320 1 4 T. Harada . . . 10320 1 5 T. Kigawa . . . 10320 1 6 S. Yokoyama . . . 10320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10320 _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 . . . 10320 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 2DI9 . . . . . . 10320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10320 _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 ; GSSGSSGDVTYDGHPVPGSP YTVEASLPPDPSKVKAHGPG LEGGLVGKPAEFTIDTKGAG TGGLGLTVEGPCEAKIECSD NGDGTCSVSYLPTKPGEYFV NILFEEVHIPGSPFKADIEM PFDPSSGPSSG ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DI9 . "Solution Structure Of The 9th Filamin Domain From Human Filamin-B" . . . . . 100.00 131 100.00 100.00 1.68e-84 . . . . 10320 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10320 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 . 10320 1 2 . SER . 10320 1 3 . SER . 10320 1 4 . GLY . 10320 1 5 . SER . 10320 1 6 . SER . 10320 1 7 . GLY . 10320 1 8 . ASP . 10320 1 9 . VAL . 10320 1 10 . THR . 10320 1 11 . TYR . 10320 1 12 . ASP . 10320 1 13 . GLY . 10320 1 14 . HIS . 10320 1 15 . PRO . 10320 1 16 . VAL . 10320 1 17 . PRO . 10320 1 18 . GLY . 10320 1 19 . SER . 10320 1 20 . PRO . 10320 1 21 . TYR . 10320 1 22 . THR . 10320 1 23 . VAL . 10320 1 24 . GLU . 10320 1 25 . ALA . 10320 1 26 . SER . 10320 1 27 . LEU . 10320 1 28 . PRO . 10320 1 29 . PRO . 10320 1 30 . ASP . 10320 1 31 . PRO . 10320 1 32 . SER . 10320 1 33 . LYS . 10320 1 34 . VAL . 10320 1 35 . LYS . 10320 1 36 . ALA . 10320 1 37 . HIS . 10320 1 38 . GLY . 10320 1 39 . PRO . 10320 1 40 . GLY . 10320 1 41 . LEU . 10320 1 42 . GLU . 10320 1 43 . GLY . 10320 1 44 . GLY . 10320 1 45 . LEU . 10320 1 46 . VAL . 10320 1 47 . GLY . 10320 1 48 . LYS . 10320 1 49 . PRO . 10320 1 50 . ALA . 10320 1 51 . GLU . 10320 1 52 . PHE . 10320 1 53 . THR . 10320 1 54 . ILE . 10320 1 55 . ASP . 10320 1 56 . THR . 10320 1 57 . LYS . 10320 1 58 . GLY . 10320 1 59 . ALA . 10320 1 60 . GLY . 10320 1 61 . THR . 10320 1 62 . GLY . 10320 1 63 . GLY . 10320 1 64 . LEU . 10320 1 65 . GLY . 10320 1 66 . LEU . 10320 1 67 . THR . 10320 1 68 . VAL . 10320 1 69 . GLU . 10320 1 70 . GLY . 10320 1 71 . PRO . 10320 1 72 . CYS . 10320 1 73 . GLU . 10320 1 74 . ALA . 10320 1 75 . LYS . 10320 1 76 . ILE . 10320 1 77 . GLU . 10320 1 78 . CYS . 10320 1 79 . SER . 10320 1 80 . ASP . 10320 1 81 . ASN . 10320 1 82 . GLY . 10320 1 83 . ASP . 10320 1 84 . GLY . 10320 1 85 . THR . 10320 1 86 . CYS . 10320 1 87 . SER . 10320 1 88 . VAL . 10320 1 89 . SER . 10320 1 90 . TYR . 10320 1 91 . LEU . 10320 1 92 . PRO . 10320 1 93 . THR . 10320 1 94 . LYS . 10320 1 95 . PRO . 10320 1 96 . GLY . 10320 1 97 . GLU . 10320 1 98 . TYR . 10320 1 99 . PHE . 10320 1 100 . VAL . 10320 1 101 . ASN . 10320 1 102 . ILE . 10320 1 103 . LEU . 10320 1 104 . PHE . 10320 1 105 . GLU . 10320 1 106 . GLU . 10320 1 107 . VAL . 10320 1 108 . HIS . 10320 1 109 . ILE . 10320 1 110 . PRO . 10320 1 111 . GLY . 10320 1 112 . SER . 10320 1 113 . PRO . 10320 1 114 . PHE . 10320 1 115 . LYS . 10320 1 116 . ALA . 10320 1 117 . ASP . 10320 1 118 . ILE . 10320 1 119 . GLU . 10320 1 120 . MET . 10320 1 121 . PRO . 10320 1 122 . PHE . 10320 1 123 . ASP . 10320 1 124 . PRO . 10320 1 125 . SER . 10320 1 126 . SER . 10320 1 127 . GLY . 10320 1 128 . PRO . 10320 1 129 . SER . 10320 1 130 . SER . 10320 1 131 . GLY . 10320 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 10320 1 . SER 2 2 10320 1 . SER 3 3 10320 1 . GLY 4 4 10320 1 . SER 5 5 10320 1 . SER 6 6 10320 1 . GLY 7 7 10320 1 . ASP 8 8 10320 1 . VAL 9 9 10320 1 . THR 10 10 10320 1 . TYR 11 11 10320 1 . ASP 12 12 10320 1 . GLY 13 13 10320 1 . HIS 14 14 10320 1 . PRO 15 15 10320 1 . VAL 16 16 10320 1 . PRO 17 17 10320 1 . GLY 18 18 10320 1 . SER 19 19 10320 1 . PRO 20 20 10320 1 . TYR 21 21 10320 1 . THR 22 22 10320 1 . VAL 23 23 10320 1 . GLU 24 24 10320 1 . ALA 25 25 10320 1 . SER 26 26 10320 1 . LEU 27 27 10320 1 . PRO 28 28 10320 1 . PRO 29 29 10320 1 . ASP 30 30 10320 1 . PRO 31 31 10320 1 . SER 32 32 10320 1 . LYS 33 33 10320 1 . VAL 34 34 10320 1 . LYS 35 35 10320 1 . ALA 36 36 10320 1 . HIS 37 37 10320 1 . GLY 38 38 10320 1 . PRO 39 39 10320 1 . GLY 40 40 10320 1 . LEU 41 41 10320 1 . GLU 42 42 10320 1 . GLY 43 43 10320 1 . GLY 44 44 10320 1 . LEU 45 45 10320 1 . VAL 46 46 10320 1 . GLY 47 47 10320 1 . LYS 48 48 10320 1 . PRO 49 49 10320 1 . ALA 50 50 10320 1 . GLU 51 51 10320 1 . PHE 52 52 10320 1 . THR 53 53 10320 1 . ILE 54 54 10320 1 . ASP 55 55 10320 1 . THR 56 56 10320 1 . LYS 57 57 10320 1 . GLY 58 58 10320 1 . ALA 59 59 10320 1 . GLY 60 60 10320 1 . THR 61 61 10320 1 . GLY 62 62 10320 1 . GLY 63 63 10320 1 . LEU 64 64 10320 1 . GLY 65 65 10320 1 . LEU 66 66 10320 1 . THR 67 67 10320 1 . VAL 68 68 10320 1 . GLU 69 69 10320 1 . GLY 70 70 10320 1 . PRO 71 71 10320 1 . CYS 72 72 10320 1 . GLU 73 73 10320 1 . ALA 74 74 10320 1 . LYS 75 75 10320 1 . ILE 76 76 10320 1 . GLU 77 77 10320 1 . CYS 78 78 10320 1 . SER 79 79 10320 1 . ASP 80 80 10320 1 . ASN 81 81 10320 1 . GLY 82 82 10320 1 . ASP 83 83 10320 1 . GLY 84 84 10320 1 . THR 85 85 10320 1 . CYS 86 86 10320 1 . SER 87 87 10320 1 . VAL 88 88 10320 1 . SER 89 89 10320 1 . TYR 90 90 10320 1 . LEU 91 91 10320 1 . PRO 92 92 10320 1 . THR 93 93 10320 1 . LYS 94 94 10320 1 . PRO 95 95 10320 1 . GLY 96 96 10320 1 . GLU 97 97 10320 1 . TYR 98 98 10320 1 . PHE 99 99 10320 1 . VAL 100 100 10320 1 . ASN 101 101 10320 1 . ILE 102 102 10320 1 . LEU 103 103 10320 1 . PHE 104 104 10320 1 . GLU 105 105 10320 1 . GLU 106 106 10320 1 . VAL 107 107 10320 1 . HIS 108 108 10320 1 . ILE 109 109 10320 1 . PRO 110 110 10320 1 . GLY 111 111 10320 1 . SER 112 112 10320 1 . PRO 113 113 10320 1 . PHE 114 114 10320 1 . LYS 115 115 10320 1 . ALA 116 116 10320 1 . ASP 117 117 10320 1 . ILE 118 118 10320 1 . GLU 119 119 10320 1 . MET 120 120 10320 1 . PRO 121 121 10320 1 . PHE 122 122 10320 1 . ASP 123 123 10320 1 . PRO 124 124 10320 1 . SER 125 125 10320 1 . SER 126 126 10320 1 . GLY 127 127 10320 1 . PRO 128 128 10320 1 . SER 129 129 10320 1 . SER 130 130 10320 1 . GLY 131 131 10320 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 10320 _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 . . . . . . . . . . . . . . . . . . . . . 10320 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 10320 _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 . . P051205-13 . . . . . . 10320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10320 _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 1.11 . . mM . . . . 10320 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10320 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10320 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10320 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10320 1 6 H2O . . . . . . solvent 90 . . % . . . . 10320 1 7 D2O . . . . . . solvent 10 . . % . . . . 10320 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 10320 _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 10320 1 pH 7.0 0.05 pH 10320 1 pressure 1 0.001 atm 10320 1 temperature 298 0.1 K 10320 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10320 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10320 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10320 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10320 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10320 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10320 _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.' . . 10320 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10320 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10320 _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.' . . 10320 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10320 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10320 _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.' . . 10320 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10320 5 'structure solution' 10320 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 10320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10320 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10320 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 10320 _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 . . . . . . . . . . . . . . . . 10320 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10320 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 10320 _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 . . . . . . . . . 10320 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10320 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10320 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 10320 _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 10320 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10320 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 3.820 0.030 . 1 . . . . 1 GLY HA2 . 10320 1 2 . 1 1 1 1 GLY HA3 H 1 3.820 0.030 . 1 . . . . 1 GLY HA3 . 10320 1 3 . 1 1 1 1 GLY CA C 13 43.654 0.300 . 1 . . . . 1 GLY CA . 10320 1 4 . 1 1 6 6 SER HA H 1 4.446 0.030 . 1 . . . . 6 SER HA . 10320 1 5 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 1 . . . . 6 SER HB2 . 10320 1 6 . 1 1 6 6 SER HB3 H 1 3.888 0.030 . 1 . . . . 6 SER HB3 . 10320 1 7 . 1 1 6 6 SER C C 13 174.997 0.300 . 1 . . . . 6 SER C . 10320 1 8 . 1 1 6 6 SER CA C 13 58.751 0.300 . 1 . . . . 6 SER CA . 10320 1 9 . 1 1 6 6 SER CB C 13 63.632 0.300 . 1 . . . . 6 SER CB . 10320 1 10 . 1 1 7 7 GLY H H 1 8.374 0.030 . 1 . . . . 7 GLY H . 10320 1 11 . 1 1 7 7 GLY HA2 H 1 3.956 0.030 . 1 . . . . 7 GLY HA2 . 10320 1 12 . 1 1 7 7 GLY HA3 H 1 3.956 0.030 . 1 . . . . 7 GLY HA3 . 10320 1 13 . 1 1 7 7 GLY C C 13 173.777 0.300 . 1 . . . . 7 GLY C . 10320 1 14 . 1 1 7 7 GLY CA C 13 45.297 0.300 . 1 . . . . 7 GLY CA . 10320 1 15 . 1 1 7 7 GLY N N 15 110.696 0.300 . 1 . . . . 7 GLY N . 10320 1 16 . 1 1 8 8 ASP H H 1 8.174 0.030 . 1 . . . . 8 ASP H . 10320 1 17 . 1 1 8 8 ASP HA H 1 4.602 0.030 . 1 . . . . 8 ASP HA . 10320 1 18 . 1 1 8 8 ASP HB2 H 1 2.542 0.030 . 2 . . . . 8 ASP HB2 . 10320 1 19 . 1 1 8 8 ASP HB3 H 1 2.659 0.030 . 2 . . . . 8 ASP HB3 . 10320 1 20 . 1 1 8 8 ASP C C 13 176.284 0.300 . 1 . . . . 8 ASP C . 10320 1 21 . 1 1 8 8 ASP CA C 13 54.284 0.300 . 1 . . . . 8 ASP CA . 10320 1 22 . 1 1 8 8 ASP CB C 13 41.225 0.300 . 1 . . . . 8 ASP CB . 10320 1 23 . 1 1 8 8 ASP N N 15 120.642 0.300 . 1 . . . . 8 ASP N . 10320 1 24 . 1 1 9 9 VAL H H 1 8.124 0.030 . 1 . . . . 9 VAL H . 10320 1 25 . 1 1 9 9 VAL HA H 1 4.168 0.030 . 1 . . . . 9 VAL HA . 10320 1 26 . 1 1 9 9 VAL HB H 1 2.007 0.030 . 1 . . . . 9 VAL HB . 10320 1 27 . 1 1 9 9 VAL HG11 H 1 0.848 0.030 . 1 . . . . 9 VAL HG1 . 10320 1 28 . 1 1 9 9 VAL HG12 H 1 0.848 0.030 . 1 . . . . 9 VAL HG1 . 10320 1 29 . 1 1 9 9 VAL HG13 H 1 0.848 0.030 . 1 . . . . 9 VAL HG1 . 10320 1 30 . 1 1 9 9 VAL HG21 H 1 0.790 0.030 . 1 . . . . 9 VAL HG2 . 10320 1 31 . 1 1 9 9 VAL HG22 H 1 0.790 0.030 . 1 . . . . 9 VAL HG2 . 10320 1 32 . 1 1 9 9 VAL HG23 H 1 0.790 0.030 . 1 . . . . 9 VAL HG2 . 10320 1 33 . 1 1 9 9 VAL C C 13 176.184 0.300 . 1 . . . . 9 VAL C . 10320 1 34 . 1 1 9 9 VAL CA C 13 62.084 0.300 . 1 . . . . 9 VAL CA . 10320 1 35 . 1 1 9 9 VAL CB C 13 32.838 0.300 . 1 . . . . 9 VAL CB . 10320 1 36 . 1 1 9 9 VAL CG1 C 13 20.234 0.300 . 2 . . . . 9 VAL CG1 . 10320 1 37 . 1 1 9 9 VAL CG2 C 13 21.092 0.300 . 2 . . . . 9 VAL CG2 . 10320 1 38 . 1 1 9 9 VAL N N 15 120.194 0.300 . 1 . . . . 9 VAL N . 10320 1 39 . 1 1 10 10 THR H H 1 8.244 0.030 . 1 . . . . 10 THR H . 10320 1 40 . 1 1 10 10 THR HA H 1 4.280 0.030 . 1 . . . . 10 THR HA . 10320 1 41 . 1 1 10 10 THR HB H 1 4.083 0.030 . 1 . . . . 10 THR HB . 10320 1 42 . 1 1 10 10 THR HG21 H 1 1.095 0.030 . 1 . . . . 10 THR HG2 . 10320 1 43 . 1 1 10 10 THR HG22 H 1 1.095 0.030 . 1 . . . . 10 THR HG2 . 10320 1 44 . 1 1 10 10 THR HG23 H 1 1.095 0.030 . 1 . . . . 10 THR HG2 . 10320 1 45 . 1 1 10 10 THR C C 13 174.303 0.300 . 1 . . . . 10 THR C . 10320 1 46 . 1 1 10 10 THR CA C 13 61.631 0.300 . 1 . . . . 10 THR CA . 10320 1 47 . 1 1 10 10 THR CB C 13 70.116 0.300 . 1 . . . . 10 THR CB . 10320 1 48 . 1 1 10 10 THR CG2 C 13 21.569 0.300 . 1 . . . . 10 THR CG2 . 10320 1 49 . 1 1 10 10 THR N N 15 117.524 0.300 . 1 . . . . 10 THR N . 10320 1 50 . 1 1 11 11 TYR H H 1 8.333 0.030 . 1 . . . . 11 TYR H . 10320 1 51 . 1 1 11 11 TYR HA H 1 4.530 0.030 . 1 . . . . 11 TYR HA . 10320 1 52 . 1 1 11 11 TYR HB2 H 1 3.006 0.030 . 2 . . . . 11 TYR HB2 . 10320 1 53 . 1 1 11 11 TYR HB3 H 1 2.891 0.030 . 2 . . . . 11 TYR HB3 . 10320 1 54 . 1 1 11 11 TYR HD1 H 1 7.063 0.030 . 1 . . . . 11 TYR HD1 . 10320 1 55 . 1 1 11 11 TYR HD2 H 1 7.063 0.030 . 1 . . . . 11 TYR HD2 . 10320 1 56 . 1 1 11 11 TYR HE1 H 1 6.737 0.030 . 1 . . . . 11 TYR HE1 . 10320 1 57 . 1 1 11 11 TYR HE2 H 1 6.737 0.030 . 1 . . . . 11 TYR HE2 . 10320 1 58 . 1 1 11 11 TYR C C 13 175.474 0.300 . 1 . . . . 11 TYR C . 10320 1 59 . 1 1 11 11 TYR CA C 13 58.097 0.300 . 1 . . . . 11 TYR CA . 10320 1 60 . 1 1 11 11 TYR CB C 13 38.791 0.300 . 1 . . . . 11 TYR CB . 10320 1 61 . 1 1 11 11 TYR CD1 C 13 133.281 0.300 . 1 . . . . 11 TYR CD1 . 10320 1 62 . 1 1 11 11 TYR CD2 C 13 133.281 0.300 . 1 . . . . 11 TYR CD2 . 10320 1 63 . 1 1 11 11 TYR CE1 C 13 118.187 0.300 . 1 . . . . 11 TYR CE1 . 10320 1 64 . 1 1 11 11 TYR CE2 C 13 118.187 0.300 . 1 . . . . 11 TYR CE2 . 10320 1 65 . 1 1 11 11 TYR N N 15 122.840 0.300 . 1 . . . . 11 TYR N . 10320 1 66 . 1 1 12 12 ASP H H 1 8.239 0.030 . 1 . . . . 12 ASP H . 10320 1 67 . 1 1 12 12 ASP HA H 1 4.465 0.030 . 1 . . . . 12 ASP HA . 10320 1 68 . 1 1 12 12 ASP HB2 H 1 2.555 0.030 . 1 . . . . 12 ASP HB2 . 10320 1 69 . 1 1 12 12 ASP HB3 H 1 2.555 0.030 . 1 . . . . 12 ASP HB3 . 10320 1 70 . 1 1 12 12 ASP C C 13 176.320 0.300 . 1 . . . . 12 ASP C . 10320 1 71 . 1 1 12 12 ASP CA C 13 54.022 0.300 . 1 . . . . 12 ASP CA . 10320 1 72 . 1 1 12 12 ASP CB C 13 41.000 0.300 . 1 . . . . 12 ASP CB . 10320 1 73 . 1 1 12 12 ASP N N 15 122.897 0.300 . 1 . . . . 12 ASP N . 10320 1 74 . 1 1 13 13 GLY H H 1 7.642 0.030 . 1 . . . . 13 GLY H . 10320 1 75 . 1 1 13 13 GLY HA2 H 1 3.816 0.030 . 2 . . . . 13 GLY HA2 . 10320 1 76 . 1 1 13 13 GLY HA3 H 1 3.700 0.030 . 2 . . . . 13 GLY HA3 . 10320 1 77 . 1 1 13 13 GLY C C 13 173.695 0.300 . 1 . . . . 13 GLY C . 10320 1 78 . 1 1 13 13 GLY CA C 13 45.233 0.300 . 1 . . . . 13 GLY CA . 10320 1 79 . 1 1 13 13 GLY N N 15 107.903 0.300 . 1 . . . . 13 GLY N . 10320 1 80 . 1 1 14 14 HIS H H 1 8.038 0.030 . 1 . . . . 14 HIS H . 10320 1 81 . 1 1 14 14 HIS HA H 1 4.839 0.030 . 1 . . . . 14 HIS HA . 10320 1 82 . 1 1 14 14 HIS HB2 H 1 3.081 0.030 . 2 . . . . 14 HIS HB2 . 10320 1 83 . 1 1 14 14 HIS HB3 H 1 2.994 0.030 . 2 . . . . 14 HIS HB3 . 10320 1 84 . 1 1 14 14 HIS HD2 H 1 7.033 0.030 . 1 . . . . 14 HIS HD2 . 10320 1 85 . 1 1 14 14 HIS HE1 H 1 7.993 0.030 . 1 . . . . 14 HIS HE1 . 10320 1 86 . 1 1 14 14 HIS C C 13 173.090 0.300 . 1 . . . . 14 HIS C . 10320 1 87 . 1 1 14 14 HIS CA C 13 54.123 0.300 . 1 . . . . 14 HIS CA . 10320 1 88 . 1 1 14 14 HIS CB C 13 29.701 0.300 . 1 . . . . 14 HIS CB . 10320 1 89 . 1 1 14 14 HIS CD2 C 13 120.456 0.300 . 1 . . . . 14 HIS CD2 . 10320 1 90 . 1 1 14 14 HIS CE1 C 13 137.699 0.300 . 1 . . . . 14 HIS CE1 . 10320 1 91 . 1 1 14 14 HIS N N 15 120.100 0.300 . 1 . . . . 14 HIS N . 10320 1 92 . 1 1 15 15 PRO HA H 1 4.433 0.030 . 1 . . . . 15 PRO HA . 10320 1 93 . 1 1 15 15 PRO HB2 H 1 1.805 0.030 . 2 . . . . 15 PRO HB2 . 10320 1 94 . 1 1 15 15 PRO HB3 H 1 2.222 0.030 . 2 . . . . 15 PRO HB3 . 10320 1 95 . 1 1 15 15 PRO HD2 H 1 3.512 0.030 . 2 . . . . 15 PRO HD2 . 10320 1 96 . 1 1 15 15 PRO HD3 H 1 3.743 0.030 . 2 . . . . 15 PRO HD3 . 10320 1 97 . 1 1 15 15 PRO HG2 H 1 2.037 0.030 . 2 . . . . 15 PRO HG2 . 10320 1 98 . 1 1 15 15 PRO HG3 H 1 1.944 0.030 . 2 . . . . 15 PRO HG3 . 10320 1 99 . 1 1 15 15 PRO C C 13 176.749 0.300 . 1 . . . . 15 PRO C . 10320 1 100 . 1 1 15 15 PRO CA C 13 63.128 0.300 . 1 . . . . 15 PRO CA . 10320 1 101 . 1 1 15 15 PRO CB C 13 32.034 0.300 . 1 . . . . 15 PRO CB . 10320 1 102 . 1 1 15 15 PRO CD C 13 50.560 0.300 . 1 . . . . 15 PRO CD . 10320 1 103 . 1 1 15 15 PRO CG C 13 27.378 0.300 . 1 . . . . 15 PRO CG . 10320 1 104 . 1 1 16 16 VAL H H 1 8.332 0.030 . 1 . . . . 16 VAL H . 10320 1 105 . 1 1 16 16 VAL HA H 1 4.352 0.030 . 1 . . . . 16 VAL HA . 10320 1 106 . 1 1 16 16 VAL HB H 1 2.035 0.030 . 1 . . . . 16 VAL HB . 10320 1 107 . 1 1 16 16 VAL HG11 H 1 0.918 0.030 . 1 . . . . 16 VAL HG1 . 10320 1 108 . 1 1 16 16 VAL HG12 H 1 0.918 0.030 . 1 . . . . 16 VAL HG1 . 10320 1 109 . 1 1 16 16 VAL HG13 H 1 0.918 0.030 . 1 . . . . 16 VAL HG1 . 10320 1 110 . 1 1 16 16 VAL HG21 H 1 0.915 0.030 . 1 . . . . 16 VAL HG2 . 10320 1 111 . 1 1 16 16 VAL HG22 H 1 0.915 0.030 . 1 . . . . 16 VAL HG2 . 10320 1 112 . 1 1 16 16 VAL HG23 H 1 0.915 0.030 . 1 . . . . 16 VAL HG2 . 10320 1 113 . 1 1 16 16 VAL C C 13 174.719 0.300 . 1 . . . . 16 VAL C . 10320 1 114 . 1 1 16 16 VAL CA C 13 59.926 0.300 . 1 . . . . 16 VAL CA . 10320 1 115 . 1 1 16 16 VAL CB C 13 32.671 0.300 . 1 . . . . 16 VAL CB . 10320 1 116 . 1 1 16 16 VAL CG1 C 13 21.033 0.300 . 2 . . . . 16 VAL CG1 . 10320 1 117 . 1 1 16 16 VAL CG2 C 13 20.408 0.300 . 2 . . . . 16 VAL CG2 . 10320 1 118 . 1 1 16 16 VAL N N 15 122.214 0.300 . 1 . . . . 16 VAL N . 10320 1 119 . 1 1 17 17 PRO HA H 1 4.376 0.030 . 1 . . . . 17 PRO HA . 10320 1 120 . 1 1 17 17 PRO HB2 H 1 1.878 0.030 . 2 . . . . 17 PRO HB2 . 10320 1 121 . 1 1 17 17 PRO HB3 H 1 2.222 0.030 . 2 . . . . 17 PRO HB3 . 10320 1 122 . 1 1 17 17 PRO HD2 H 1 3.842 0.030 . 2 . . . . 17 PRO HD2 . 10320 1 123 . 1 1 17 17 PRO HD3 H 1 3.651 0.030 . 2 . . . . 17 PRO HD3 . 10320 1 124 . 1 1 17 17 PRO HG2 H 1 2.024 0.030 . 1 . . . . 17 PRO HG2 . 10320 1 125 . 1 1 17 17 PRO HG3 H 1 2.024 0.030 . 1 . . . . 17 PRO HG3 . 10320 1 126 . 1 1 17 17 PRO C C 13 177.437 0.300 . 1 . . . . 17 PRO C . 10320 1 127 . 1 1 17 17 PRO CA C 13 63.821 0.300 . 1 . . . . 17 PRO CA . 10320 1 128 . 1 1 17 17 PRO CB C 13 32.251 0.300 . 1 . . . . 17 PRO CB . 10320 1 129 . 1 1 17 17 PRO CD C 13 51.040 0.300 . 1 . . . . 17 PRO CD . 10320 1 130 . 1 1 17 17 PRO CG C 13 27.387 0.300 . 1 . . . . 17 PRO CG . 10320 1 131 . 1 1 18 18 GLY H H 1 8.512 0.030 . 1 . . . . 18 GLY H . 10320 1 132 . 1 1 18 18 GLY HA2 H 1 3.908 0.030 . 2 . . . . 18 GLY HA2 . 10320 1 133 . 1 1 18 18 GLY CA C 13 44.935 0.300 . 1 . . . . 18 GLY CA . 10320 1 134 . 1 1 18 18 GLY N N 15 109.914 0.300 . 1 . . . . 18 GLY N . 10320 1 135 . 1 1 20 20 PRO HA H 1 4.399 0.030 . 1 . . . . 20 PRO HA . 10320 1 136 . 1 1 20 20 PRO HB2 H 1 1.701 0.030 . 2 . . . . 20 PRO HB2 . 10320 1 137 . 1 1 20 20 PRO HB3 H 1 2.147 0.030 . 2 . . . . 20 PRO HB3 . 10320 1 138 . 1 1 20 20 PRO HD2 H 1 3.608 0.030 . 2 . . . . 20 PRO HD2 . 10320 1 139 . 1 1 20 20 PRO HD3 H 1 3.739 0.030 . 2 . . . . 20 PRO HD3 . 10320 1 140 . 1 1 20 20 PRO HG2 H 1 1.897 0.030 . 2 . . . . 20 PRO HG2 . 10320 1 141 . 1 1 20 20 PRO HG3 H 1 1.750 0.030 . 2 . . . . 20 PRO HG3 . 10320 1 142 . 1 1 20 20 PRO C C 13 176.494 0.300 . 1 . . . . 20 PRO C . 10320 1 143 . 1 1 20 20 PRO CA C 13 63.385 0.300 . 1 . . . . 20 PRO CA . 10320 1 144 . 1 1 20 20 PRO CB C 13 31.871 0.300 . 1 . . . . 20 PRO CB . 10320 1 145 . 1 1 20 20 PRO CD C 13 50.705 0.300 . 1 . . . . 20 PRO CD . 10320 1 146 . 1 1 20 20 PRO CG C 13 27.009 0.300 . 1 . . . . 20 PRO CG . 10320 1 147 . 1 1 21 21 TYR H H 1 8.088 0.030 . 1 . . . . 21 TYR H . 10320 1 148 . 1 1 21 21 TYR HA H 1 4.576 0.030 . 1 . . . . 21 TYR HA . 10320 1 149 . 1 1 21 21 TYR HB2 H 1 3.007 0.030 . 2 . . . . 21 TYR HB2 . 10320 1 150 . 1 1 21 21 TYR HB3 H 1 2.894 0.030 . 2 . . . . 21 TYR HB3 . 10320 1 151 . 1 1 21 21 TYR HD1 H 1 7.061 0.030 . 1 . . . . 21 TYR HD1 . 10320 1 152 . 1 1 21 21 TYR HD2 H 1 7.061 0.030 . 1 . . . . 21 TYR HD2 . 10320 1 153 . 1 1 21 21 TYR HE1 H 1 6.759 0.030 . 1 . . . . 21 TYR HE1 . 10320 1 154 . 1 1 21 21 TYR HE2 H 1 6.759 0.030 . 1 . . . . 21 TYR HE2 . 10320 1 155 . 1 1 21 21 TYR C C 13 175.724 0.300 . 1 . . . . 21 TYR C . 10320 1 156 . 1 1 21 21 TYR CA C 13 57.778 0.300 . 1 . . . . 21 TYR CA . 10320 1 157 . 1 1 21 21 TYR CB C 13 38.753 0.300 . 1 . . . . 21 TYR CB . 10320 1 158 . 1 1 21 21 TYR CD1 C 13 133.077 0.300 . 1 . . . . 21 TYR CD1 . 10320 1 159 . 1 1 21 21 TYR CD2 C 13 133.077 0.300 . 1 . . . . 21 TYR CD2 . 10320 1 160 . 1 1 21 21 TYR CE1 C 13 118.119 0.300 . 1 . . . . 21 TYR CE1 . 10320 1 161 . 1 1 21 21 TYR CE2 C 13 118.119 0.300 . 1 . . . . 21 TYR CE2 . 10320 1 162 . 1 1 21 21 TYR N N 15 119.980 0.300 . 1 . . . . 21 TYR N . 10320 1 163 . 1 1 22 22 THR H H 1 7.935 0.030 . 1 . . . . 22 THR H . 10320 1 164 . 1 1 22 22 THR HA H 1 4.285 0.030 . 1 . . . . 22 THR HA . 10320 1 165 . 1 1 22 22 THR HB H 1 4.078 0.030 . 1 . . . . 22 THR HB . 10320 1 166 . 1 1 22 22 THR HG21 H 1 1.104 0.030 . 1 . . . . 22 THR HG2 . 10320 1 167 . 1 1 22 22 THR HG22 H 1 1.104 0.030 . 1 . . . . 22 THR HG2 . 10320 1 168 . 1 1 22 22 THR HG23 H 1 1.104 0.030 . 1 . . . . 22 THR HG2 . 10320 1 169 . 1 1 22 22 THR C C 13 173.893 0.300 . 1 . . . . 22 THR C . 10320 1 170 . 1 1 22 22 THR CA C 13 61.471 0.300 . 1 . . . . 22 THR CA . 10320 1 171 . 1 1 22 22 THR CB C 13 69.911 0.300 . 1 . . . . 22 THR CB . 10320 1 172 . 1 1 22 22 THR CG2 C 13 21.525 0.300 . 1 . . . . 22 THR CG2 . 10320 1 173 . 1 1 22 22 THR N N 15 117.162 0.300 . 1 . . . . 22 THR N . 10320 1 174 . 1 1 23 23 VAL H H 1 8.135 0.030 . 1 . . . . 23 VAL H . 10320 1 175 . 1 1 23 23 VAL HA H 1 4.018 0.030 . 1 . . . . 23 VAL HA . 10320 1 176 . 1 1 23 23 VAL HB H 1 2.008 0.030 . 1 . . . . 23 VAL HB . 10320 1 177 . 1 1 23 23 VAL HG11 H 1 0.898 0.030 . 1 . . . . 23 VAL HG1 . 10320 1 178 . 1 1 23 23 VAL HG12 H 1 0.898 0.030 . 1 . . . . 23 VAL HG1 . 10320 1 179 . 1 1 23 23 VAL HG13 H 1 0.898 0.030 . 1 . . . . 23 VAL HG1 . 10320 1 180 . 1 1 23 23 VAL HG21 H 1 0.898 0.030 . 1 . . . . 23 VAL HG2 . 10320 1 181 . 1 1 23 23 VAL HG22 H 1 0.898 0.030 . 1 . . . . 23 VAL HG2 . 10320 1 182 . 1 1 23 23 VAL HG23 H 1 0.898 0.030 . 1 . . . . 23 VAL HG2 . 10320 1 183 . 1 1 23 23 VAL C C 13 176.116 0.300 . 1 . . . . 23 VAL C . 10320 1 184 . 1 1 23 23 VAL CA C 13 62.296 0.300 . 1 . . . . 23 VAL CA . 10320 1 185 . 1 1 23 23 VAL CB C 13 32.845 0.300 . 1 . . . . 23 VAL CB . 10320 1 186 . 1 1 23 23 VAL CG1 C 13 20.585 0.300 . 1 . . . . 23 VAL CG1 . 10320 1 187 . 1 1 23 23 VAL CG2 C 13 20.585 0.300 . 1 . . . . 23 VAL CG2 . 10320 1 188 . 1 1 23 23 VAL N N 15 122.848 0.300 . 1 . . . . 23 VAL N . 10320 1 189 . 1 1 24 24 GLU H H 1 8.484 0.030 . 1 . . . . 24 GLU H . 10320 1 190 . 1 1 24 24 GLU HA H 1 4.195 0.030 . 1 . . . . 24 GLU HA . 10320 1 191 . 1 1 24 24 GLU HB2 H 1 1.985 0.030 . 2 . . . . 24 GLU HB2 . 10320 1 192 . 1 1 24 24 GLU HB3 H 1 1.880 0.030 . 2 . . . . 24 GLU HB3 . 10320 1 193 . 1 1 24 24 GLU HG2 H 1 2.228 0.030 . 1 . . . . 24 GLU HG2 . 10320 1 194 . 1 1 24 24 GLU HG3 H 1 2.228 0.030 . 1 . . . . 24 GLU HG3 . 10320 1 195 . 1 1 24 24 GLU C C 13 176.151 0.300 . 1 . . . . 24 GLU C . 10320 1 196 . 1 1 24 24 GLU CA C 13 56.677 0.300 . 1 . . . . 24 GLU CA . 10320 1 197 . 1 1 24 24 GLU CB C 13 30.190 0.300 . 1 . . . . 24 GLU CB . 10320 1 198 . 1 1 24 24 GLU CG C 13 36.280 0.300 . 1 . . . . 24 GLU CG . 10320 1 199 . 1 1 24 24 GLU N N 15 125.104 0.300 . 1 . . . . 24 GLU N . 10320 1 200 . 1 1 25 25 ALA H H 1 8.307 0.030 . 1 . . . . 25 ALA H . 10320 1 201 . 1 1 25 25 ALA HA H 1 4.275 0.030 . 1 . . . . 25 ALA HA . 10320 1 202 . 1 1 25 25 ALA HB1 H 1 1.342 0.030 . 1 . . . . 25 ALA HB . 10320 1 203 . 1 1 25 25 ALA HB2 H 1 1.342 0.030 . 1 . . . . 25 ALA HB . 10320 1 204 . 1 1 25 25 ALA HB3 H 1 1.342 0.030 . 1 . . . . 25 ALA HB . 10320 1 205 . 1 1 25 25 ALA C C 13 177.534 0.300 . 1 . . . . 25 ALA C . 10320 1 206 . 1 1 25 25 ALA CA C 13 52.522 0.300 . 1 . . . . 25 ALA CA . 10320 1 207 . 1 1 25 25 ALA CB C 13 19.336 0.300 . 1 . . . . 25 ALA CB . 10320 1 208 . 1 1 25 25 ALA N N 15 125.388 0.300 . 1 . . . . 25 ALA N . 10320 1 209 . 1 1 26 26 SER H H 1 8.246 0.030 . 1 . . . . 26 SER H . 10320 1 210 . 1 1 26 26 SER HA H 1 4.396 0.030 . 1 . . . . 26 SER HA . 10320 1 211 . 1 1 26 26 SER HB2 H 1 3.812 0.030 . 1 . . . . 26 SER HB2 . 10320 1 212 . 1 1 26 26 SER HB3 H 1 3.812 0.030 . 1 . . . . 26 SER HB3 . 10320 1 213 . 1 1 26 26 SER C C 13 174.043 0.300 . 1 . . . . 26 SER C . 10320 1 214 . 1 1 26 26 SER CA C 13 58.047 0.300 . 1 . . . . 26 SER CA . 10320 1 215 . 1 1 26 26 SER CB C 13 63.825 0.300 . 1 . . . . 26 SER CB . 10320 1 216 . 1 1 26 26 SER N N 15 115.290 0.300 . 1 . . . . 26 SER N . 10320 1 217 . 1 1 27 27 LEU H H 1 8.257 0.030 . 1 . . . . 27 LEU H . 10320 1 218 . 1 1 27 27 LEU HA H 1 4.636 0.030 . 1 . . . . 27 LEU HA . 10320 1 219 . 1 1 27 27 LEU HB2 H 1 1.553 0.030 . 1 . . . . 27 LEU HB2 . 10320 1 220 . 1 1 27 27 LEU HB3 H 1 1.553 0.030 . 1 . . . . 27 LEU HB3 . 10320 1 221 . 1 1 27 27 LEU HD11 H 1 0.897 0.030 . 1 . . . . 27 LEU HD1 . 10320 1 222 . 1 1 27 27 LEU HD12 H 1 0.897 0.030 . 1 . . . . 27 LEU HD1 . 10320 1 223 . 1 1 27 27 LEU HD13 H 1 0.897 0.030 . 1 . . . . 27 LEU HD1 . 10320 1 224 . 1 1 27 27 LEU HD21 H 1 0.876 0.030 . 1 . . . . 27 LEU HD2 . 10320 1 225 . 1 1 27 27 LEU HD22 H 1 0.876 0.030 . 1 . . . . 27 LEU HD2 . 10320 1 226 . 1 1 27 27 LEU HD23 H 1 0.876 0.030 . 1 . . . . 27 LEU HD2 . 10320 1 227 . 1 1 27 27 LEU HG H 1 1.648 0.030 . 1 . . . . 27 LEU HG . 10320 1 228 . 1 1 27 27 LEU CA C 13 52.843 0.300 . 1 . . . . 27 LEU CA . 10320 1 229 . 1 1 27 27 LEU CB C 13 41.985 0.300 . 1 . . . . 27 LEU CB . 10320 1 230 . 1 1 27 27 LEU CD1 C 13 25.328 0.300 . 2 . . . . 27 LEU CD1 . 10320 1 231 . 1 1 27 27 LEU CD2 C 13 23.235 0.300 . 2 . . . . 27 LEU CD2 . 10320 1 232 . 1 1 27 27 LEU CG C 13 26.948 0.300 . 1 . . . . 27 LEU CG . 10320 1 233 . 1 1 27 27 LEU N N 15 125.480 0.300 . 1 . . . . 27 LEU N . 10320 1 234 . 1 1 28 28 PRO HA H 1 4.696 0.030 . 1 . . . . 28 PRO HA . 10320 1 235 . 1 1 28 28 PRO HB2 H 1 2.330 0.030 . 2 . . . . 28 PRO HB2 . 10320 1 236 . 1 1 28 28 PRO HB3 H 1 1.875 0.030 . 2 . . . . 28 PRO HB3 . 10320 1 237 . 1 1 28 28 PRO HD2 H 1 3.610 0.030 . 2 . . . . 28 PRO HD2 . 10320 1 238 . 1 1 28 28 PRO HD3 H 1 3.825 0.030 . 2 . . . . 28 PRO HD3 . 10320 1 239 . 1 1 28 28 PRO HG2 H 1 2.019 0.030 . 1 . . . . 28 PRO HG2 . 10320 1 240 . 1 1 28 28 PRO HG3 H 1 2.019 0.030 . 1 . . . . 28 PRO HG3 . 10320 1 241 . 1 1 28 28 PRO CA C 13 61.099 0.300 . 1 . . . . 28 PRO CA . 10320 1 242 . 1 1 28 28 PRO CB C 13 30.760 0.300 . 1 . . . . 28 PRO CB . 10320 1 243 . 1 1 28 28 PRO CD C 13 50.445 0.300 . 1 . . . . 28 PRO CD . 10320 1 244 . 1 1 28 28 PRO CG C 13 27.278 0.300 . 1 . . . . 28 PRO CG . 10320 1 245 . 1 1 29 29 PRO HA H 1 4.950 0.030 . 1 . . . . 29 PRO HA . 10320 1 246 . 1 1 29 29 PRO HB2 H 1 1.741 0.030 . 2 . . . . 29 PRO HB2 . 10320 1 247 . 1 1 29 29 PRO HB3 H 1 2.293 0.030 . 2 . . . . 29 PRO HB3 . 10320 1 248 . 1 1 29 29 PRO HD2 H 1 3.816 0.030 . 2 . . . . 29 PRO HD2 . 10320 1 249 . 1 1 29 29 PRO HD3 H 1 3.683 0.030 . 2 . . . . 29 PRO HD3 . 10320 1 250 . 1 1 29 29 PRO HG2 H 1 2.098 0.030 . 1 . . . . 29 PRO HG2 . 10320 1 251 . 1 1 29 29 PRO HG3 H 1 2.098 0.030 . 1 . . . . 29 PRO HG3 . 10320 1 252 . 1 1 29 29 PRO C C 13 178.039 0.300 . 1 . . . . 29 PRO C . 10320 1 253 . 1 1 29 29 PRO CA C 13 62.642 0.300 . 1 . . . . 29 PRO CA . 10320 1 254 . 1 1 29 29 PRO CB C 13 32.347 0.300 . 1 . . . . 29 PRO CB . 10320 1 255 . 1 1 29 29 PRO CD C 13 50.293 0.300 . 1 . . . . 29 PRO CD . 10320 1 256 . 1 1 29 29 PRO CG C 13 27.864 0.300 . 1 . . . . 29 PRO CG . 10320 1 257 . 1 1 30 30 ASP H H 1 8.879 0.030 . 1 . . . . 30 ASP H . 10320 1 258 . 1 1 30 30 ASP HA H 1 5.131 0.030 . 1 . . . . 30 ASP HA . 10320 1 259 . 1 1 30 30 ASP HB2 H 1 2.844 0.030 . 2 . . . . 30 ASP HB2 . 10320 1 260 . 1 1 30 30 ASP HB3 H 1 2.430 0.030 . 2 . . . . 30 ASP HB3 . 10320 1 261 . 1 1 30 30 ASP C C 13 174.209 0.300 . 1 . . . . 30 ASP C . 10320 1 262 . 1 1 30 30 ASP CA C 13 50.534 0.300 . 1 . . . . 30 ASP CA . 10320 1 263 . 1 1 30 30 ASP CB C 13 41.811 0.300 . 1 . . . . 30 ASP CB . 10320 1 264 . 1 1 30 30 ASP N N 15 120.351 0.300 . 1 . . . . 30 ASP N . 10320 1 265 . 1 1 31 31 PRO HA H 1 4.102 0.030 . 1 . . . . 31 PRO HA . 10320 1 266 . 1 1 31 31 PRO HB2 H 1 2.076 0.030 . 2 . . . . 31 PRO HB2 . 10320 1 267 . 1 1 31 31 PRO HB3 H 1 2.580 0.030 . 2 . . . . 31 PRO HB3 . 10320 1 268 . 1 1 31 31 PRO HD2 H 1 4.028 0.030 . 1 . . . . 31 PRO HD2 . 10320 1 269 . 1 1 31 31 PRO HD3 H 1 4.028 0.030 . 1 . . . . 31 PRO HD3 . 10320 1 270 . 1 1 31 31 PRO HG2 H 1 2.189 0.030 . 1 . . . . 31 PRO HG2 . 10320 1 271 . 1 1 31 31 PRO HG3 H 1 2.189 0.030 . 1 . . . . 31 PRO HG3 . 10320 1 272 . 1 1 31 31 PRO C C 13 176.673 0.300 . 1 . . . . 31 PRO C . 10320 1 273 . 1 1 31 31 PRO CA C 13 64.587 0.300 . 1 . . . . 31 PRO CA . 10320 1 274 . 1 1 31 31 PRO CB C 13 32.526 0.300 . 1 . . . . 31 PRO CB . 10320 1 275 . 1 1 31 31 PRO CD C 13 50.972 0.300 . 1 . . . . 31 PRO CD . 10320 1 276 . 1 1 31 31 PRO CG C 13 27.625 0.300 . 1 . . . . 31 PRO CG . 10320 1 277 . 1 1 32 32 SER H H 1 7.868 0.030 . 1 . . . . 32 SER H . 10320 1 278 . 1 1 32 32 SER HA H 1 4.197 0.030 . 1 . . . . 32 SER HA . 10320 1 279 . 1 1 32 32 SER HB2 H 1 3.996 0.030 . 2 . . . . 32 SER HB2 . 10320 1 280 . 1 1 32 32 SER HB3 H 1 3.901 0.030 . 2 . . . . 32 SER HB3 . 10320 1 281 . 1 1 32 32 SER C C 13 175.455 0.300 . 1 . . . . 32 SER C . 10320 1 282 . 1 1 32 32 SER CA C 13 60.569 0.300 . 1 . . . . 32 SER CA . 10320 1 283 . 1 1 32 32 SER CB C 13 63.176 0.300 . 1 . . . . 32 SER CB . 10320 1 284 . 1 1 32 32 SER N N 15 108.271 0.300 . 1 . . . . 32 SER N . 10320 1 285 . 1 1 33 33 LYS H H 1 7.581 0.030 . 1 . . . . 33 LYS H . 10320 1 286 . 1 1 33 33 LYS HA H 1 4.257 0.030 . 1 . . . . 33 LYS HA . 10320 1 287 . 1 1 33 33 LYS HB2 H 1 1.470 0.030 . 2 . . . . 33 LYS HB2 . 10320 1 288 . 1 1 33 33 LYS HB3 H 1 1.772 0.030 . 2 . . . . 33 LYS HB3 . 10320 1 289 . 1 1 33 33 LYS HD2 H 1 1.518 0.030 . 1 . . . . 33 LYS HD2 . 10320 1 290 . 1 1 33 33 LYS HD3 H 1 1.518 0.030 . 1 . . . . 33 LYS HD3 . 10320 1 291 . 1 1 33 33 LYS HE2 H 1 2.923 0.030 . 1 . . . . 33 LYS HE2 . 10320 1 292 . 1 1 33 33 LYS HE3 H 1 2.923 0.030 . 1 . . . . 33 LYS HE3 . 10320 1 293 . 1 1 33 33 LYS HG2 H 1 1.160 0.030 . 2 . . . . 33 LYS HG2 . 10320 1 294 . 1 1 33 33 LYS HG3 H 1 1.379 0.030 . 2 . . . . 33 LYS HG3 . 10320 1 295 . 1 1 33 33 LYS C C 13 176.100 0.300 . 1 . . . . 33 LYS C . 10320 1 296 . 1 1 33 33 LYS CA C 13 54.966 0.300 . 1 . . . . 33 LYS CA . 10320 1 297 . 1 1 33 33 LYS CB C 13 32.910 0.300 . 1 . . . . 33 LYS CB . 10320 1 298 . 1 1 33 33 LYS CD C 13 28.362 0.300 . 1 . . . . 33 LYS CD . 10320 1 299 . 1 1 33 33 LYS CE C 13 42.258 0.300 . 1 . . . . 33 LYS CE . 10320 1 300 . 1 1 33 33 LYS CG C 13 25.113 0.300 . 1 . . . . 33 LYS CG . 10320 1 301 . 1 1 33 33 LYS N N 15 120.242 0.300 . 1 . . . . 33 LYS N . 10320 1 302 . 1 1 34 34 VAL H H 1 7.110 0.030 . 1 . . . . 34 VAL H . 10320 1 303 . 1 1 34 34 VAL HA H 1 3.829 0.030 . 1 . . . . 34 VAL HA . 10320 1 304 . 1 1 34 34 VAL HB H 1 1.912 0.030 . 1 . . . . 34 VAL HB . 10320 1 305 . 1 1 34 34 VAL HG11 H 1 0.681 0.030 . 1 . . . . 34 VAL HG1 . 10320 1 306 . 1 1 34 34 VAL HG12 H 1 0.681 0.030 . 1 . . . . 34 VAL HG1 . 10320 1 307 . 1 1 34 34 VAL HG13 H 1 0.681 0.030 . 1 . . . . 34 VAL HG1 . 10320 1 308 . 1 1 34 34 VAL HG21 H 1 0.137 0.030 . 1 . . . . 34 VAL HG2 . 10320 1 309 . 1 1 34 34 VAL HG22 H 1 0.137 0.030 . 1 . . . . 34 VAL HG2 . 10320 1 310 . 1 1 34 34 VAL HG23 H 1 0.137 0.030 . 1 . . . . 34 VAL HG2 . 10320 1 311 . 1 1 34 34 VAL C C 13 175.200 0.300 . 1 . . . . 34 VAL C . 10320 1 312 . 1 1 34 34 VAL CA C 13 63.246 0.300 . 1 . . . . 34 VAL CA . 10320 1 313 . 1 1 34 34 VAL CB C 13 31.098 0.300 . 1 . . . . 34 VAL CB . 10320 1 314 . 1 1 34 34 VAL CG1 C 13 22.937 0.300 . 2 . . . . 34 VAL CG1 . 10320 1 315 . 1 1 34 34 VAL CG2 C 13 22.767 0.300 . 2 . . . . 34 VAL CG2 . 10320 1 316 . 1 1 34 34 VAL N N 15 121.287 0.300 . 1 . . . . 34 VAL N . 10320 1 317 . 1 1 35 35 LYS H H 1 8.416 0.030 . 1 . . . . 35 LYS H . 10320 1 318 . 1 1 35 35 LYS HA H 1 4.780 0.030 . 1 . . . . 35 LYS HA . 10320 1 319 . 1 1 35 35 LYS HB2 H 1 1.752 0.030 . 2 . . . . 35 LYS HB2 . 10320 1 320 . 1 1 35 35 LYS HB3 H 1 1.906 0.030 . 2 . . . . 35 LYS HB3 . 10320 1 321 . 1 1 35 35 LYS HD2 H 1 1.668 0.030 . 1 . . . . 35 LYS HD2 . 10320 1 322 . 1 1 35 35 LYS HD3 H 1 1.668 0.030 . 1 . . . . 35 LYS HD3 . 10320 1 323 . 1 1 35 35 LYS HE2 H 1 2.933 0.030 . 1 . . . . 35 LYS HE2 . 10320 1 324 . 1 1 35 35 LYS HE3 H 1 2.933 0.030 . 1 . . . . 35 LYS HE3 . 10320 1 325 . 1 1 35 35 LYS HG2 H 1 1.408 0.030 . 1 . . . . 35 LYS HG2 . 10320 1 326 . 1 1 35 35 LYS HG3 H 1 1.408 0.030 . 1 . . . . 35 LYS HG3 . 10320 1 327 . 1 1 35 35 LYS C C 13 174.479 0.300 . 1 . . . . 35 LYS C . 10320 1 328 . 1 1 35 35 LYS CA C 13 54.538 0.300 . 1 . . . . 35 LYS CA . 10320 1 329 . 1 1 35 35 LYS CB C 13 35.953 0.300 . 1 . . . . 35 LYS CB . 10320 1 330 . 1 1 35 35 LYS CD C 13 29.126 0.300 . 1 . . . . 35 LYS CD . 10320 1 331 . 1 1 35 35 LYS CE C 13 42.031 0.300 . 1 . . . . 35 LYS CE . 10320 1 332 . 1 1 35 35 LYS CG C 13 24.534 0.300 . 1 . . . . 35 LYS CG . 10320 1 333 . 1 1 35 35 LYS N N 15 126.734 0.300 . 1 . . . . 35 LYS N . 10320 1 334 . 1 1 36 36 ALA H H 1 8.436 0.030 . 1 . . . . 36 ALA H . 10320 1 335 . 1 1 36 36 ALA HA H 1 5.486 0.030 . 1 . . . . 36 ALA HA . 10320 1 336 . 1 1 36 36 ALA HB1 H 1 1.030 0.030 . 1 . . . . 36 ALA HB . 10320 1 337 . 1 1 36 36 ALA HB2 H 1 1.030 0.030 . 1 . . . . 36 ALA HB . 10320 1 338 . 1 1 36 36 ALA HB3 H 1 1.030 0.030 . 1 . . . . 36 ALA HB . 10320 1 339 . 1 1 36 36 ALA C C 13 175.103 0.300 . 1 . . . . 36 ALA C . 10320 1 340 . 1 1 36 36 ALA CA C 13 50.492 0.300 . 1 . . . . 36 ALA CA . 10320 1 341 . 1 1 36 36 ALA CB C 13 22.856 0.300 . 1 . . . . 36 ALA CB . 10320 1 342 . 1 1 36 36 ALA N N 15 125.549 0.300 . 1 . . . . 36 ALA N . 10320 1 343 . 1 1 37 37 HIS H H 1 8.613 0.030 . 1 . . . . 37 HIS H . 10320 1 344 . 1 1 37 37 HIS HA H 1 4.676 0.030 . 1 . . . . 37 HIS HA . 10320 1 345 . 1 1 37 37 HIS HB2 H 1 3.153 0.030 . 2 . . . . 37 HIS HB2 . 10320 1 346 . 1 1 37 37 HIS HB3 H 1 2.981 0.030 . 2 . . . . 37 HIS HB3 . 10320 1 347 . 1 1 37 37 HIS HD2 H 1 6.760 0.030 . 1 . . . . 37 HIS HD2 . 10320 1 348 . 1 1 37 37 HIS HE1 H 1 7.789 0.030 . 1 . . . . 37 HIS HE1 . 10320 1 349 . 1 1 37 37 HIS C C 13 173.359 0.300 . 1 . . . . 37 HIS C . 10320 1 350 . 1 1 37 37 HIS CA C 13 55.455 0.300 . 1 . . . . 37 HIS CA . 10320 1 351 . 1 1 37 37 HIS CB C 13 32.735 0.300 . 1 . . . . 37 HIS CB . 10320 1 352 . 1 1 37 37 HIS CD2 C 13 119.955 0.300 . 1 . . . . 37 HIS CD2 . 10320 1 353 . 1 1 37 37 HIS CE1 C 13 137.892 0.300 . 1 . . . . 37 HIS CE1 . 10320 1 354 . 1 1 37 37 HIS N N 15 117.593 0.300 . 1 . . . . 37 HIS N . 10320 1 355 . 1 1 38 38 GLY H H 1 8.629 0.030 . 1 . . . . 38 GLY H . 10320 1 356 . 1 1 38 38 GLY HA2 H 1 4.042 0.030 . 1 . . . . 38 GLY HA2 . 10320 1 357 . 1 1 38 38 GLY HA3 H 1 4.042 0.030 . 1 . . . . 38 GLY HA3 . 10320 1 358 . 1 1 38 38 GLY C C 13 172.735 0.300 . 1 . . . . 38 GLY C . 10320 1 359 . 1 1 38 38 GLY CA C 13 44.896 0.300 . 1 . . . . 38 GLY CA . 10320 1 360 . 1 1 38 38 GLY N N 15 111.754 0.300 . 1 . . . . 38 GLY N . 10320 1 361 . 1 1 39 39 PRO HA H 1 4.374 0.030 . 1 . . . . 39 PRO HA . 10320 1 362 . 1 1 39 39 PRO HB2 H 1 2.363 0.030 . 2 . . . . 39 PRO HB2 . 10320 1 363 . 1 1 39 39 PRO HB3 H 1 2.191 0.030 . 2 . . . . 39 PRO HB3 . 10320 1 364 . 1 1 39 39 PRO HD2 H 1 3.816 0.030 . 2 . . . . 39 PRO HD2 . 10320 1 365 . 1 1 39 39 PRO HD3 H 1 3.591 0.030 . 2 . . . . 39 PRO HD3 . 10320 1 366 . 1 1 39 39 PRO HG2 H 1 2.102 0.030 . 2 . . . . 39 PRO HG2 . 10320 1 367 . 1 1 39 39 PRO HG3 H 1 2.345 0.030 . 2 . . . . 39 PRO HG3 . 10320 1 368 . 1 1 39 39 PRO C C 13 179.912 0.300 . 1 . . . . 39 PRO C . 10320 1 369 . 1 1 39 39 PRO CA C 13 65.426 0.300 . 1 . . . . 39 PRO CA . 10320 1 370 . 1 1 39 39 PRO CB C 13 31.583 0.300 . 1 . . . . 39 PRO CB . 10320 1 371 . 1 1 39 39 PRO CD C 13 50.090 0.300 . 1 . . . . 39 PRO CD . 10320 1 372 . 1 1 39 39 PRO CG C 13 27.591 0.300 . 1 . . . . 39 PRO CG . 10320 1 373 . 1 1 40 40 GLY H H 1 9.457 0.030 . 1 . . . . 40 GLY H . 10320 1 374 . 1 1 40 40 GLY HA2 H 1 3.258 0.030 . 2 . . . . 40 GLY HA2 . 10320 1 375 . 1 1 40 40 GLY HA3 H 1 4.319 0.030 . 2 . . . . 40 GLY HA3 . 10320 1 376 . 1 1 40 40 GLY C C 13 172.582 0.300 . 1 . . . . 40 GLY C . 10320 1 377 . 1 1 40 40 GLY CA C 13 46.499 0.300 . 1 . . . . 40 GLY CA . 10320 1 378 . 1 1 40 40 GLY N N 15 105.165 0.300 . 1 . . . . 40 GLY N . 10320 1 379 . 1 1 41 41 LEU H H 1 7.239 0.030 . 1 . . . . 41 LEU H . 10320 1 380 . 1 1 41 41 LEU HA H 1 3.924 0.030 . 1 . . . . 41 LEU HA . 10320 1 381 . 1 1 41 41 LEU HB2 H 1 1.064 0.030 . 2 . . . . 41 LEU HB2 . 10320 1 382 . 1 1 41 41 LEU HB3 H 1 1.429 0.030 . 2 . . . . 41 LEU HB3 . 10320 1 383 . 1 1 41 41 LEU HD11 H 1 -0.314 0.030 . 1 . . . . 41 LEU HD1 . 10320 1 384 . 1 1 41 41 LEU HD12 H 1 -0.314 0.030 . 1 . . . . 41 LEU HD1 . 10320 1 385 . 1 1 41 41 LEU HD13 H 1 -0.314 0.030 . 1 . . . . 41 LEU HD1 . 10320 1 386 . 1 1 41 41 LEU HD21 H 1 -0.934 0.030 . 1 . . . . 41 LEU HD2 . 10320 1 387 . 1 1 41 41 LEU HD22 H 1 -0.934 0.030 . 1 . . . . 41 LEU HD2 . 10320 1 388 . 1 1 41 41 LEU HD23 H 1 -0.934 0.030 . 1 . . . . 41 LEU HD2 . 10320 1 389 . 1 1 41 41 LEU HG H 1 0.493 0.030 . 1 . . . . 41 LEU HG . 10320 1 390 . 1 1 41 41 LEU C C 13 175.546 0.300 . 1 . . . . 41 LEU C . 10320 1 391 . 1 1 41 41 LEU CA C 13 54.610 0.300 . 1 . . . . 41 LEU CA . 10320 1 392 . 1 1 41 41 LEU CB C 13 40.476 0.300 . 1 . . . . 41 LEU CB . 10320 1 393 . 1 1 41 41 LEU CD1 C 13 23.683 0.300 . 2 . . . . 41 LEU CD1 . 10320 1 394 . 1 1 41 41 LEU CD2 C 13 19.258 0.300 . 2 . . . . 41 LEU CD2 . 10320 1 395 . 1 1 41 41 LEU CG C 13 25.910 0.300 . 1 . . . . 41 LEU CG . 10320 1 396 . 1 1 41 41 LEU N N 15 115.898 0.300 . 1 . . . . 41 LEU N . 10320 1 397 . 1 1 42 42 GLU H H 1 7.619 0.030 . 1 . . . . 42 GLU H . 10320 1 398 . 1 1 42 42 GLU HA H 1 4.785 0.030 . 1 . . . . 42 GLU HA . 10320 1 399 . 1 1 42 42 GLU HB2 H 1 2.122 0.030 . 2 . . . . 42 GLU HB2 . 10320 1 400 . 1 1 42 42 GLU HB3 H 1 2.042 0.030 . 2 . . . . 42 GLU HB3 . 10320 1 401 . 1 1 42 42 GLU HG2 H 1 2.274 0.030 . 2 . . . . 42 GLU HG2 . 10320 1 402 . 1 1 42 42 GLU HG3 H 1 2.235 0.030 . 2 . . . . 42 GLU HG3 . 10320 1 403 . 1 1 42 42 GLU C C 13 177.383 0.300 . 1 . . . . 42 GLU C . 10320 1 404 . 1 1 42 42 GLU CA C 13 56.417 0.300 . 1 . . . . 42 GLU CA . 10320 1 405 . 1 1 42 42 GLU CB C 13 32.777 0.300 . 1 . . . . 42 GLU CB . 10320 1 406 . 1 1 42 42 GLU CG C 13 36.445 0.300 . 1 . . . . 42 GLU CG . 10320 1 407 . 1 1 42 42 GLU N N 15 113.343 0.300 . 1 . . . . 42 GLU N . 10320 1 408 . 1 1 43 43 GLY H H 1 8.296 0.030 . 1 . . . . 43 GLY H . 10320 1 409 . 1 1 43 43 GLY HA2 H 1 4.000 0.030 . 2 . . . . 43 GLY HA2 . 10320 1 410 . 1 1 43 43 GLY HA3 H 1 4.351 0.030 . 2 . . . . 43 GLY HA3 . 10320 1 411 . 1 1 43 43 GLY C C 13 170.578 0.300 . 1 . . . . 43 GLY C . 10320 1 412 . 1 1 43 43 GLY CA C 13 46.524 0.300 . 1 . . . . 43 GLY CA . 10320 1 413 . 1 1 43 43 GLY N N 15 108.316 0.300 . 1 . . . . 43 GLY N . 10320 1 414 . 1 1 44 44 GLY H H 1 7.517 0.030 . 1 . . . . 44 GLY H . 10320 1 415 . 1 1 44 44 GLY HA2 H 1 4.124 0.030 . 2 . . . . 44 GLY HA2 . 10320 1 416 . 1 1 44 44 GLY HA3 H 1 3.898 0.030 . 2 . . . . 44 GLY HA3 . 10320 1 417 . 1 1 44 44 GLY C C 13 171.537 0.300 . 1 . . . . 44 GLY C . 10320 1 418 . 1 1 44 44 GLY CA C 13 44.997 0.300 . 1 . . . . 44 GLY CA . 10320 1 419 . 1 1 44 44 GLY N N 15 104.783 0.300 . 1 . . . . 44 GLY N . 10320 1 420 . 1 1 45 45 LEU H H 1 8.771 0.030 . 1 . . . . 45 LEU H . 10320 1 421 . 1 1 45 45 LEU HA H 1 5.384 0.030 . 1 . . . . 45 LEU HA . 10320 1 422 . 1 1 45 45 LEU HB2 H 1 1.214 0.030 . 2 . . . . 45 LEU HB2 . 10320 1 423 . 1 1 45 45 LEU HB3 H 1 1.424 0.030 . 2 . . . . 45 LEU HB3 . 10320 1 424 . 1 1 45 45 LEU HD11 H 1 0.831 0.030 . 1 . . . . 45 LEU HD1 . 10320 1 425 . 1 1 45 45 LEU HD12 H 1 0.831 0.030 . 1 . . . . 45 LEU HD1 . 10320 1 426 . 1 1 45 45 LEU HD13 H 1 0.831 0.030 . 1 . . . . 45 LEU HD1 . 10320 1 427 . 1 1 45 45 LEU HD21 H 1 0.746 0.030 . 1 . . . . 45 LEU HD2 . 10320 1 428 . 1 1 45 45 LEU HD22 H 1 0.746 0.030 . 1 . . . . 45 LEU HD2 . 10320 1 429 . 1 1 45 45 LEU HD23 H 1 0.746 0.030 . 1 . . . . 45 LEU HD2 . 10320 1 430 . 1 1 45 45 LEU HG H 1 1.544 0.030 . 1 . . . . 45 LEU HG . 10320 1 431 . 1 1 45 45 LEU C C 13 176.729 0.300 . 1 . . . . 45 LEU C . 10320 1 432 . 1 1 45 45 LEU CA C 13 52.655 0.300 . 1 . . . . 45 LEU CA . 10320 1 433 . 1 1 45 45 LEU CB C 13 46.136 0.300 . 1 . . . . 45 LEU CB . 10320 1 434 . 1 1 45 45 LEU CD1 C 13 25.615 0.300 . 2 . . . . 45 LEU CD1 . 10320 1 435 . 1 1 45 45 LEU CD2 C 13 24.002 0.300 . 2 . . . . 45 LEU CD2 . 10320 1 436 . 1 1 45 45 LEU CG C 13 26.883 0.300 . 1 . . . . 45 LEU CG . 10320 1 437 . 1 1 45 45 LEU N N 15 121.951 0.300 . 1 . . . . 45 LEU N . 10320 1 438 . 1 1 46 46 VAL H H 1 7.939 0.030 . 1 . . . . 46 VAL H . 10320 1 439 . 1 1 46 46 VAL HA H 1 3.102 0.030 . 1 . . . . 46 VAL HA . 10320 1 440 . 1 1 46 46 VAL HB H 1 1.776 0.030 . 1 . . . . 46 VAL HB . 10320 1 441 . 1 1 46 46 VAL HG11 H 1 0.661 0.030 . 1 . . . . 46 VAL HG1 . 10320 1 442 . 1 1 46 46 VAL HG12 H 1 0.661 0.030 . 1 . . . . 46 VAL HG1 . 10320 1 443 . 1 1 46 46 VAL HG13 H 1 0.661 0.030 . 1 . . . . 46 VAL HG1 . 10320 1 444 . 1 1 46 46 VAL HG21 H 1 0.617 0.030 . 1 . . . . 46 VAL HG2 . 10320 1 445 . 1 1 46 46 VAL HG22 H 1 0.617 0.030 . 1 . . . . 46 VAL HG2 . 10320 1 446 . 1 1 46 46 VAL HG23 H 1 0.617 0.030 . 1 . . . . 46 VAL HG2 . 10320 1 447 . 1 1 46 46 VAL C C 13 176.547 0.300 . 1 . . . . 46 VAL C . 10320 1 448 . 1 1 46 46 VAL CA C 13 64.411 0.300 . 1 . . . . 46 VAL CA . 10320 1 449 . 1 1 46 46 VAL CB C 13 32.147 0.300 . 1 . . . . 46 VAL CB . 10320 1 450 . 1 1 46 46 VAL CG1 C 13 21.522 0.300 . 2 . . . . 46 VAL CG1 . 10320 1 451 . 1 1 46 46 VAL CG2 C 13 23.028 0.300 . 2 . . . . 46 VAL CG2 . 10320 1 452 . 1 1 46 46 VAL N N 15 120.124 0.300 . 1 . . . . 46 VAL N . 10320 1 453 . 1 1 47 47 GLY H H 1 8.515 0.030 . 1 . . . . 47 GLY H . 10320 1 454 . 1 1 47 47 GLY HA2 H 1 3.414 0.030 . 2 . . . . 47 GLY HA2 . 10320 1 455 . 1 1 47 47 GLY HA3 H 1 4.065 0.030 . 2 . . . . 47 GLY HA3 . 10320 1 456 . 1 1 47 47 GLY C C 13 172.843 0.300 . 1 . . . . 47 GLY C . 10320 1 457 . 1 1 47 47 GLY CA C 13 45.193 0.300 . 1 . . . . 47 GLY CA . 10320 1 458 . 1 1 47 47 GLY N N 15 111.730 0.300 . 1 . . . . 47 GLY N . 10320 1 459 . 1 1 48 48 LYS H H 1 7.765 0.030 . 1 . . . . 48 LYS H . 10320 1 460 . 1 1 48 48 LYS HA H 1 4.806 0.030 . 1 . . . . 48 LYS HA . 10320 1 461 . 1 1 48 48 LYS HB2 H 1 1.745 0.030 . 2 . . . . 48 LYS HB2 . 10320 1 462 . 1 1 48 48 LYS HB3 H 1 1.620 0.030 . 2 . . . . 48 LYS HB3 . 10320 1 463 . 1 1 48 48 LYS HD2 H 1 1.607 0.030 . 1 . . . . 48 LYS HD2 . 10320 1 464 . 1 1 48 48 LYS HD3 H 1 1.607 0.030 . 1 . . . . 48 LYS HD3 . 10320 1 465 . 1 1 48 48 LYS HE2 H 1 2.914 0.030 . 1 . . . . 48 LYS HE2 . 10320 1 466 . 1 1 48 48 LYS HE3 H 1 2.914 0.030 . 1 . . . . 48 LYS HE3 . 10320 1 467 . 1 1 48 48 LYS HG2 H 1 1.343 0.030 . 2 . . . . 48 LYS HG2 . 10320 1 468 . 1 1 48 48 LYS HG3 H 1 1.240 0.030 . 2 . . . . 48 LYS HG3 . 10320 1 469 . 1 1 48 48 LYS C C 13 173.571 0.300 . 1 . . . . 48 LYS C . 10320 1 470 . 1 1 48 48 LYS CA C 13 51.720 0.300 . 1 . . . . 48 LYS CA . 10320 1 471 . 1 1 48 48 LYS CB C 13 33.444 0.300 . 1 . . . . 48 LYS CB . 10320 1 472 . 1 1 48 48 LYS CD C 13 28.722 0.300 . 1 . . . . 48 LYS CD . 10320 1 473 . 1 1 48 48 LYS CE C 13 42.266 0.300 . 1 . . . . 48 LYS CE . 10320 1 474 . 1 1 48 48 LYS CG C 13 24.313 0.300 . 1 . . . . 48 LYS CG . 10320 1 475 . 1 1 48 48 LYS N N 15 121.132 0.300 . 1 . . . . 48 LYS N . 10320 1 476 . 1 1 49 49 PRO HA H 1 4.095 0.030 . 1 . . . . 49 PRO HA . 10320 1 477 . 1 1 49 49 PRO HB2 H 1 1.700 0.030 . 2 . . . . 49 PRO HB2 . 10320 1 478 . 1 1 49 49 PRO HB3 H 1 2.004 0.030 . 2 . . . . 49 PRO HB3 . 10320 1 479 . 1 1 49 49 PRO HD2 H 1 3.533 0.030 . 2 . . . . 49 PRO HD2 . 10320 1 480 . 1 1 49 49 PRO HD3 H 1 3.681 0.030 . 2 . . . . 49 PRO HD3 . 10320 1 481 . 1 1 49 49 PRO HG2 H 1 1.812 0.030 . 2 . . . . 49 PRO HG2 . 10320 1 482 . 1 1 49 49 PRO HG3 H 1 2.038 0.030 . 2 . . . . 49 PRO HG3 . 10320 1 483 . 1 1 49 49 PRO C C 13 175.416 0.300 . 1 . . . . 49 PRO C . 10320 1 484 . 1 1 49 49 PRO CA C 13 63.563 0.300 . 1 . . . . 49 PRO CA . 10320 1 485 . 1 1 49 49 PRO CB C 13 31.592 0.300 . 1 . . . . 49 PRO CB . 10320 1 486 . 1 1 49 49 PRO CD C 13 50.375 0.300 . 1 . . . . 49 PRO CD . 10320 1 487 . 1 1 49 49 PRO CG C 13 27.707 0.300 . 1 . . . . 49 PRO CG . 10320 1 488 . 1 1 50 50 ALA H H 1 8.972 0.030 . 1 . . . . 50 ALA H . 10320 1 489 . 1 1 50 50 ALA HA H 1 4.483 0.030 . 1 . . . . 50 ALA HA . 10320 1 490 . 1 1 50 50 ALA HB1 H 1 0.369 0.030 . 1 . . . . 50 ALA HB . 10320 1 491 . 1 1 50 50 ALA HB2 H 1 0.369 0.030 . 1 . . . . 50 ALA HB . 10320 1 492 . 1 1 50 50 ALA HB3 H 1 0.369 0.030 . 1 . . . . 50 ALA HB . 10320 1 493 . 1 1 50 50 ALA C C 13 175.877 0.300 . 1 . . . . 50 ALA C . 10320 1 494 . 1 1 50 50 ALA CA C 13 50.749 0.300 . 1 . . . . 50 ALA CA . 10320 1 495 . 1 1 50 50 ALA CB C 13 17.339 0.300 . 1 . . . . 50 ALA CB . 10320 1 496 . 1 1 50 50 ALA N N 15 132.364 0.300 . 1 . . . . 50 ALA N . 10320 1 497 . 1 1 51 51 GLU H H 1 8.390 0.030 . 1 . . . . 51 GLU H . 10320 1 498 . 1 1 51 51 GLU HA H 1 5.183 0.030 . 1 . . . . 51 GLU HA . 10320 1 499 . 1 1 51 51 GLU HB2 H 1 1.908 0.030 . 2 . . . . 51 GLU HB2 . 10320 1 500 . 1 1 51 51 GLU HB3 H 1 2.047 0.030 . 2 . . . . 51 GLU HB3 . 10320 1 501 . 1 1 51 51 GLU HG2 H 1 1.990 0.030 . 1 . . . . 51 GLU HG2 . 10320 1 502 . 1 1 51 51 GLU HG3 H 1 1.990 0.030 . 1 . . . . 51 GLU HG3 . 10320 1 503 . 1 1 51 51 GLU C C 13 176.738 0.300 . 1 . . . . 51 GLU C . 10320 1 504 . 1 1 51 51 GLU CA C 13 55.636 0.300 . 1 . . . . 51 GLU CA . 10320 1 505 . 1 1 51 51 GLU CB C 13 33.402 0.300 . 1 . . . . 51 GLU CB . 10320 1 506 . 1 1 51 51 GLU CG C 13 36.840 0.300 . 1 . . . . 51 GLU CG . 10320 1 507 . 1 1 51 51 GLU N N 15 121.025 0.300 . 1 . . . . 51 GLU N . 10320 1 508 . 1 1 52 52 PHE H H 1 8.721 0.030 . 1 . . . . 52 PHE H . 10320 1 509 . 1 1 52 52 PHE HA H 1 5.062 0.030 . 1 . . . . 52 PHE HA . 10320 1 510 . 1 1 52 52 PHE HB2 H 1 2.921 0.030 . 2 . . . . 52 PHE HB2 . 10320 1 511 . 1 1 52 52 PHE HB3 H 1 2.674 0.030 . 2 . . . . 52 PHE HB3 . 10320 1 512 . 1 1 52 52 PHE HD1 H 1 6.577 0.030 . 1 . . . . 52 PHE HD1 . 10320 1 513 . 1 1 52 52 PHE HD2 H 1 6.577 0.030 . 1 . . . . 52 PHE HD2 . 10320 1 514 . 1 1 52 52 PHE HE1 H 1 6.913 0.030 . 1 . . . . 52 PHE HE1 . 10320 1 515 . 1 1 52 52 PHE HE2 H 1 6.913 0.030 . 1 . . . . 52 PHE HE2 . 10320 1 516 . 1 1 52 52 PHE HZ H 1 6.793 0.030 . 1 . . . . 52 PHE HZ . 10320 1 517 . 1 1 52 52 PHE C C 13 172.187 0.300 . 1 . . . . 52 PHE C . 10320 1 518 . 1 1 52 52 PHE CA C 13 57.467 0.300 . 1 . . . . 52 PHE CA . 10320 1 519 . 1 1 52 52 PHE CB C 13 39.114 0.300 . 1 . . . . 52 PHE CB . 10320 1 520 . 1 1 52 52 PHE CD1 C 13 132.346 0.300 . 1 . . . . 52 PHE CD1 . 10320 1 521 . 1 1 52 52 PHE CD2 C 13 132.346 0.300 . 1 . . . . 52 PHE CD2 . 10320 1 522 . 1 1 52 52 PHE CE1 C 13 130.188 0.300 . 1 . . . . 52 PHE CE1 . 10320 1 523 . 1 1 52 52 PHE CE2 C 13 130.188 0.300 . 1 . . . . 52 PHE CE2 . 10320 1 524 . 1 1 52 52 PHE CZ C 13 129.416 0.300 . 1 . . . . 52 PHE CZ . 10320 1 525 . 1 1 52 52 PHE N N 15 114.609 0.300 . 1 . . . . 52 PHE N . 10320 1 526 . 1 1 53 53 THR H H 1 9.080 0.030 . 1 . . . . 53 THR H . 10320 1 527 . 1 1 53 53 THR HA H 1 5.161 0.030 . 1 . . . . 53 THR HA . 10320 1 528 . 1 1 53 53 THR HB H 1 3.441 0.030 . 1 . . . . 53 THR HB . 10320 1 529 . 1 1 53 53 THR HG21 H 1 1.130 0.030 . 1 . . . . 53 THR HG2 . 10320 1 530 . 1 1 53 53 THR HG22 H 1 1.130 0.030 . 1 . . . . 53 THR HG2 . 10320 1 531 . 1 1 53 53 THR HG23 H 1 1.130 0.030 . 1 . . . . 53 THR HG2 . 10320 1 532 . 1 1 53 53 THR C C 13 173.513 0.300 . 1 . . . . 53 THR C . 10320 1 533 . 1 1 53 53 THR CA C 13 61.260 0.300 . 1 . . . . 53 THR CA . 10320 1 534 . 1 1 53 53 THR CB C 13 71.876 0.300 . 1 . . . . 53 THR CB . 10320 1 535 . 1 1 53 53 THR CG2 C 13 21.351 0.300 . 1 . . . . 53 THR CG2 . 10320 1 536 . 1 1 53 53 THR N N 15 115.919 0.300 . 1 . . . . 53 THR N . 10320 1 537 . 1 1 54 54 ILE H H 1 8.747 0.030 . 1 . . . . 54 ILE H . 10320 1 538 . 1 1 54 54 ILE HA H 1 4.701 0.030 . 1 . . . . 54 ILE HA . 10320 1 539 . 1 1 54 54 ILE HB H 1 1.627 0.030 . 1 . . . . 54 ILE HB . 10320 1 540 . 1 1 54 54 ILE HD11 H 1 0.986 0.030 . 1 . . . . 54 ILE HD1 . 10320 1 541 . 1 1 54 54 ILE HD12 H 1 0.986 0.030 . 1 . . . . 54 ILE HD1 . 10320 1 542 . 1 1 54 54 ILE HD13 H 1 0.986 0.030 . 1 . . . . 54 ILE HD1 . 10320 1 543 . 1 1 54 54 ILE HG12 H 1 0.920 0.030 . 2 . . . . 54 ILE HG12 . 10320 1 544 . 1 1 54 54 ILE HG13 H 1 1.731 0.030 . 2 . . . . 54 ILE HG13 . 10320 1 545 . 1 1 54 54 ILE HG21 H 1 0.791 0.030 . 1 . . . . 54 ILE HG2 . 10320 1 546 . 1 1 54 54 ILE HG22 H 1 0.791 0.030 . 1 . . . . 54 ILE HG2 . 10320 1 547 . 1 1 54 54 ILE HG23 H 1 0.791 0.030 . 1 . . . . 54 ILE HG2 . 10320 1 548 . 1 1 54 54 ILE C C 13 173.822 0.300 . 1 . . . . 54 ILE C . 10320 1 549 . 1 1 54 54 ILE CA C 13 60.536 0.300 . 1 . . . . 54 ILE CA . 10320 1 550 . 1 1 54 54 ILE CB C 13 40.794 0.300 . 1 . . . . 54 ILE CB . 10320 1 551 . 1 1 54 54 ILE CD1 C 13 16.765 0.300 . 1 . . . . 54 ILE CD1 . 10320 1 552 . 1 1 54 54 ILE CG1 C 13 27.795 0.300 . 1 . . . . 54 ILE CG1 . 10320 1 553 . 1 1 54 54 ILE CG2 C 13 18.505 0.300 . 1 . . . . 54 ILE CG2 . 10320 1 554 . 1 1 54 54 ILE N N 15 122.787 0.300 . 1 . . . . 54 ILE N . 10320 1 555 . 1 1 55 55 ASP H H 1 9.397 0.030 . 1 . . . . 55 ASP H . 10320 1 556 . 1 1 55 55 ASP HA H 1 5.139 0.030 . 1 . . . . 55 ASP HA . 10320 1 557 . 1 1 55 55 ASP HB2 H 1 2.489 0.030 . 2 . . . . 55 ASP HB2 . 10320 1 558 . 1 1 55 55 ASP HB3 H 1 3.027 0.030 . 2 . . . . 55 ASP HB3 . 10320 1 559 . 1 1 55 55 ASP C C 13 176.313 0.300 . 1 . . . . 55 ASP C . 10320 1 560 . 1 1 55 55 ASP CA C 13 52.811 0.300 . 1 . . . . 55 ASP CA . 10320 1 561 . 1 1 55 55 ASP CB C 13 43.236 0.300 . 1 . . . . 55 ASP CB . 10320 1 562 . 1 1 55 55 ASP N N 15 128.059 0.300 . 1 . . . . 55 ASP N . 10320 1 563 . 1 1 56 56 THR H H 1 8.696 0.030 . 1 . . . . 56 THR H . 10320 1 564 . 1 1 56 56 THR HA H 1 4.225 0.030 . 1 . . . . 56 THR HA . 10320 1 565 . 1 1 56 56 THR HB H 1 4.475 0.030 . 1 . . . . 56 THR HB . 10320 1 566 . 1 1 56 56 THR HG21 H 1 1.071 0.030 . 1 . . . . 56 THR HG2 . 10320 1 567 . 1 1 56 56 THR HG22 H 1 1.071 0.030 . 1 . . . . 56 THR HG2 . 10320 1 568 . 1 1 56 56 THR HG23 H 1 1.071 0.030 . 1 . . . . 56 THR HG2 . 10320 1 569 . 1 1 56 56 THR C C 13 175.737 0.300 . 1 . . . . 56 THR C . 10320 1 570 . 1 1 56 56 THR CA C 13 60.859 0.300 . 1 . . . . 56 THR CA . 10320 1 571 . 1 1 56 56 THR CB C 13 68.815 0.300 . 1 . . . . 56 THR CB . 10320 1 572 . 1 1 56 56 THR CG2 C 13 21.813 0.300 . 1 . . . . 56 THR CG2 . 10320 1 573 . 1 1 56 56 THR N N 15 114.513 0.300 . 1 . . . . 56 THR N . 10320 1 574 . 1 1 57 57 LYS H H 1 8.743 0.030 . 1 . . . . 57 LYS H . 10320 1 575 . 1 1 57 57 LYS HA H 1 3.997 0.030 . 1 . . . . 57 LYS HA . 10320 1 576 . 1 1 57 57 LYS HB2 H 1 1.943 0.030 . 2 . . . . 57 LYS HB2 . 10320 1 577 . 1 1 57 57 LYS HB3 H 1 1.764 0.030 . 2 . . . . 57 LYS HB3 . 10320 1 578 . 1 1 57 57 LYS HD2 H 1 1.785 0.030 . 2 . . . . 57 LYS HD2 . 10320 1 579 . 1 1 57 57 LYS HD3 H 1 1.708 0.030 . 2 . . . . 57 LYS HD3 . 10320 1 580 . 1 1 57 57 LYS HE2 H 1 2.998 0.030 . 2 . . . . 57 LYS HE2 . 10320 1 581 . 1 1 57 57 LYS HE3 H 1 2.958 0.030 . 2 . . . . 57 LYS HE3 . 10320 1 582 . 1 1 57 57 LYS HG2 H 1 1.580 0.030 . 2 . . . . 57 LYS HG2 . 10320 1 583 . 1 1 57 57 LYS HG3 H 1 1.520 0.030 . 2 . . . . 57 LYS HG3 . 10320 1 584 . 1 1 57 57 LYS C C 13 178.252 0.300 . 1 . . . . 57 LYS C . 10320 1 585 . 1 1 57 57 LYS CA C 13 59.690 0.300 . 1 . . . . 57 LYS CA . 10320 1 586 . 1 1 57 57 LYS CB C 13 31.677 0.300 . 1 . . . . 57 LYS CB . 10320 1 587 . 1 1 57 57 LYS CD C 13 29.046 0.300 . 1 . . . . 57 LYS CD . 10320 1 588 . 1 1 57 57 LYS CE C 13 41.632 0.300 . 1 . . . . 57 LYS CE . 10320 1 589 . 1 1 57 57 LYS CG C 13 25.003 0.300 . 1 . . . . 57 LYS CG . 10320 1 590 . 1 1 57 57 LYS N N 15 125.341 0.300 . 1 . . . . 57 LYS N . 10320 1 591 . 1 1 58 58 GLY H H 1 8.772 0.030 . 1 . . . . 58 GLY H . 10320 1 592 . 1 1 58 58 GLY HA2 H 1 3.901 0.030 . 1 . . . . 58 GLY HA2 . 10320 1 593 . 1 1 58 58 GLY HA3 H 1 3.901 0.030 . 1 . . . . 58 GLY HA3 . 10320 1 594 . 1 1 58 58 GLY C C 13 174.295 0.300 . 1 . . . . 58 GLY C . 10320 1 595 . 1 1 58 58 GLY CA C 13 45.098 0.300 . 1 . . . . 58 GLY CA . 10320 1 596 . 1 1 58 58 GLY N N 15 108.313 0.300 . 1 . . . . 58 GLY N . 10320 1 597 . 1 1 59 59 ALA H H 1 7.786 0.030 . 1 . . . . 59 ALA H . 10320 1 598 . 1 1 59 59 ALA HA H 1 4.229 0.030 . 1 . . . . 59 ALA HA . 10320 1 599 . 1 1 59 59 ALA HB1 H 1 0.792 0.030 . 1 . . . . 59 ALA HB . 10320 1 600 . 1 1 59 59 ALA HB2 H 1 0.792 0.030 . 1 . . . . 59 ALA HB . 10320 1 601 . 1 1 59 59 ALA HB3 H 1 0.792 0.030 . 1 . . . . 59 ALA HB . 10320 1 602 . 1 1 59 59 ALA C C 13 176.156 0.300 . 1 . . . . 59 ALA C . 10320 1 603 . 1 1 59 59 ALA CA C 13 52.326 0.300 . 1 . . . . 59 ALA CA . 10320 1 604 . 1 1 59 59 ALA CB C 13 21.490 0.300 . 1 . . . . 59 ALA CB . 10320 1 605 . 1 1 59 59 ALA N N 15 122.021 0.300 . 1 . . . . 59 ALA N . 10320 1 606 . 1 1 60 60 GLY H H 1 7.975 0.030 . 1 . . . . 60 GLY H . 10320 1 607 . 1 1 60 60 GLY HA2 H 1 4.170 0.030 . 2 . . . . 60 GLY HA2 . 10320 1 608 . 1 1 60 60 GLY HA3 H 1 3.623 0.030 . 2 . . . . 60 GLY HA3 . 10320 1 609 . 1 1 60 60 GLY C C 13 173.787 0.300 . 1 . . . . 60 GLY C . 10320 1 610 . 1 1 60 60 GLY CA C 13 44.571 0.300 . 1 . . . . 60 GLY CA . 10320 1 611 . 1 1 60 60 GLY N N 15 104.907 0.300 . 1 . . . . 60 GLY N . 10320 1 612 . 1 1 61 61 THR H H 1 8.175 0.030 . 1 . . . . 61 THR H . 10320 1 613 . 1 1 61 61 THR HA H 1 4.361 0.030 . 1 . . . . 61 THR HA . 10320 1 614 . 1 1 61 61 THR HB H 1 4.067 0.030 . 1 . . . . 61 THR HB . 10320 1 615 . 1 1 61 61 THR HG21 H 1 1.131 0.030 . 1 . . . . 61 THR HG2 . 10320 1 616 . 1 1 61 61 THR HG22 H 1 1.131 0.030 . 1 . . . . 61 THR HG2 . 10320 1 617 . 1 1 61 61 THR HG23 H 1 1.131 0.030 . 1 . . . . 61 THR HG2 . 10320 1 618 . 1 1 61 61 THR C C 13 174.139 0.300 . 1 . . . . 61 THR C . 10320 1 619 . 1 1 61 61 THR CA C 13 62.421 0.300 . 1 . . . . 61 THR CA . 10320 1 620 . 1 1 61 61 THR CB C 13 69.318 0.300 . 1 . . . . 61 THR CB . 10320 1 621 . 1 1 61 61 THR CG2 C 13 21.690 0.300 . 1 . . . . 61 THR CG2 . 10320 1 622 . 1 1 61 61 THR N N 15 115.584 0.300 . 1 . . . . 61 THR N . 10320 1 623 . 1 1 62 62 GLY H H 1 8.018 0.030 . 1 . . . . 62 GLY H . 10320 1 624 . 1 1 62 62 GLY HA2 H 1 2.986 0.030 . 2 . . . . 62 GLY HA2 . 10320 1 625 . 1 1 62 62 GLY HA3 H 1 3.782 0.030 . 2 . . . . 62 GLY HA3 . 10320 1 626 . 1 1 62 62 GLY C C 13 171.931 0.300 . 1 . . . . 62 GLY C . 10320 1 627 . 1 1 62 62 GLY CA C 13 44.862 0.300 . 1 . . . . 62 GLY CA . 10320 1 628 . 1 1 62 62 GLY N N 15 112.366 0.300 . 1 . . . . 62 GLY N . 10320 1 629 . 1 1 63 63 GLY H H 1 8.896 0.030 . 1 . . . . 63 GLY H . 10320 1 630 . 1 1 63 63 GLY HA2 H 1 3.357 0.030 . 2 . . . . 63 GLY HA2 . 10320 1 631 . 1 1 63 63 GLY HA3 H 1 4.254 0.030 . 2 . . . . 63 GLY HA3 . 10320 1 632 . 1 1 63 63 GLY C C 13 173.308 0.300 . 1 . . . . 63 GLY C . 10320 1 633 . 1 1 63 63 GLY CA C 13 44.447 0.300 . 1 . . . . 63 GLY CA . 10320 1 634 . 1 1 63 63 GLY N N 15 107.174 0.300 . 1 . . . . 63 GLY N . 10320 1 635 . 1 1 64 64 LEU H H 1 8.434 0.030 . 1 . . . . 64 LEU H . 10320 1 636 . 1 1 64 64 LEU HA H 1 5.258 0.030 . 1 . . . . 64 LEU HA . 10320 1 637 . 1 1 64 64 LEU HB2 H 1 1.433 0.030 . 2 . . . . 64 LEU HB2 . 10320 1 638 . 1 1 64 64 LEU HB3 H 1 1.725 0.030 . 2 . . . . 64 LEU HB3 . 10320 1 639 . 1 1 64 64 LEU HD11 H 1 0.963 0.030 . 1 . . . . 64 LEU HD1 . 10320 1 640 . 1 1 64 64 LEU HD12 H 1 0.963 0.030 . 1 . . . . 64 LEU HD1 . 10320 1 641 . 1 1 64 64 LEU HD13 H 1 0.963 0.030 . 1 . . . . 64 LEU HD1 . 10320 1 642 . 1 1 64 64 LEU HD21 H 1 0.933 0.030 . 1 . . . . 64 LEU HD2 . 10320 1 643 . 1 1 64 64 LEU HD22 H 1 0.933 0.030 . 1 . . . . 64 LEU HD2 . 10320 1 644 . 1 1 64 64 LEU HD23 H 1 0.933 0.030 . 1 . . . . 64 LEU HD2 . 10320 1 645 . 1 1 64 64 LEU HG H 1 1.728 0.030 . 1 . . . . 64 LEU HG . 10320 1 646 . 1 1 64 64 LEU C C 13 177.129 0.300 . 1 . . . . 64 LEU C . 10320 1 647 . 1 1 64 64 LEU CA C 13 54.043 0.300 . 1 . . . . 64 LEU CA . 10320 1 648 . 1 1 64 64 LEU CB C 13 44.718 0.300 . 1 . . . . 64 LEU CB . 10320 1 649 . 1 1 64 64 LEU CD1 C 13 24.987 0.300 . 2 . . . . 64 LEU CD1 . 10320 1 650 . 1 1 64 64 LEU CD2 C 13 25.534 0.300 . 2 . . . . 64 LEU CD2 . 10320 1 651 . 1 1 64 64 LEU CG C 13 27.339 0.300 . 1 . . . . 64 LEU CG . 10320 1 652 . 1 1 64 64 LEU N N 15 125.480 0.300 . 1 . . . . 64 LEU N . 10320 1 653 . 1 1 65 65 GLY H H 1 9.371 0.030 . 1 . . . . 65 GLY H . 10320 1 654 . 1 1 65 65 GLY HA2 H 1 3.442 0.030 . 2 . . . . 65 GLY HA2 . 10320 1 655 . 1 1 65 65 GLY HA3 H 1 4.430 0.030 . 2 . . . . 65 GLY HA3 . 10320 1 656 . 1 1 65 65 GLY C C 13 171.478 0.300 . 1 . . . . 65 GLY C . 10320 1 657 . 1 1 65 65 GLY CA C 13 45.115 0.300 . 1 . . . . 65 GLY CA . 10320 1 658 . 1 1 65 65 GLY N N 15 114.296 0.300 . 1 . . . . 65 GLY N . 10320 1 659 . 1 1 66 66 LEU H H 1 8.334 0.030 . 1 . . . . 66 LEU H . 10320 1 660 . 1 1 66 66 LEU HA H 1 5.535 0.030 . 1 . . . . 66 LEU HA . 10320 1 661 . 1 1 66 66 LEU HB2 H 1 1.592 0.030 . 2 . . . . 66 LEU HB2 . 10320 1 662 . 1 1 66 66 LEU HB3 H 1 1.428 0.030 . 2 . . . . 66 LEU HB3 . 10320 1 663 . 1 1 66 66 LEU HD11 H 1 0.893 0.030 . 1 . . . . 66 LEU HD1 . 10320 1 664 . 1 1 66 66 LEU HD12 H 1 0.893 0.030 . 1 . . . . 66 LEU HD1 . 10320 1 665 . 1 1 66 66 LEU HD13 H 1 0.893 0.030 . 1 . . . . 66 LEU HD1 . 10320 1 666 . 1 1 66 66 LEU HD21 H 1 0.918 0.030 . 1 . . . . 66 LEU HD2 . 10320 1 667 . 1 1 66 66 LEU HD22 H 1 0.918 0.030 . 1 . . . . 66 LEU HD2 . 10320 1 668 . 1 1 66 66 LEU HD23 H 1 0.918 0.030 . 1 . . . . 66 LEU HD2 . 10320 1 669 . 1 1 66 66 LEU HG H 1 1.589 0.030 . 1 . . . . 66 LEU HG . 10320 1 670 . 1 1 66 66 LEU C C 13 176.251 0.300 . 1 . . . . 66 LEU C . 10320 1 671 . 1 1 66 66 LEU CA C 13 53.818 0.300 . 1 . . . . 66 LEU CA . 10320 1 672 . 1 1 66 66 LEU CB C 13 45.634 0.300 . 1 . . . . 66 LEU CB . 10320 1 673 . 1 1 66 66 LEU CD1 C 13 26.185 0.300 . 2 . . . . 66 LEU CD1 . 10320 1 674 . 1 1 66 66 LEU CD2 C 13 27.068 0.300 . 2 . . . . 66 LEU CD2 . 10320 1 675 . 1 1 66 66 LEU CG C 13 27.724 0.300 . 1 . . . . 66 LEU CG . 10320 1 676 . 1 1 66 66 LEU N N 15 125.308 0.300 . 1 . . . . 66 LEU N . 10320 1 677 . 1 1 67 67 THR H H 1 8.604 0.030 . 1 . . . . 67 THR H . 10320 1 678 . 1 1 67 67 THR HA H 1 4.558 0.030 . 1 . . . . 67 THR HA . 10320 1 679 . 1 1 67 67 THR HB H 1 4.124 0.030 . 1 . . . . 67 THR HB . 10320 1 680 . 1 1 67 67 THR HG21 H 1 1.144 0.030 . 1 . . . . 67 THR HG2 . 10320 1 681 . 1 1 67 67 THR HG22 H 1 1.144 0.030 . 1 . . . . 67 THR HG2 . 10320 1 682 . 1 1 67 67 THR HG23 H 1 1.144 0.030 . 1 . . . . 67 THR HG2 . 10320 1 683 . 1 1 67 67 THR C C 13 172.657 0.300 . 1 . . . . 67 THR C . 10320 1 684 . 1 1 67 67 THR CA C 13 60.510 0.300 . 1 . . . . 67 THR CA . 10320 1 685 . 1 1 67 67 THR CB C 13 73.016 0.300 . 1 . . . . 67 THR CB . 10320 1 686 . 1 1 67 67 THR CG2 C 13 22.803 0.300 . 1 . . . . 67 THR CG2 . 10320 1 687 . 1 1 67 67 THR N N 15 115.017 0.300 . 1 . . . . 67 THR N . 10320 1 688 . 1 1 68 68 VAL H H 1 8.748 0.030 . 1 . . . . 68 VAL H . 10320 1 689 . 1 1 68 68 VAL HA H 1 5.057 0.030 . 1 . . . . 68 VAL HA . 10320 1 690 . 1 1 68 68 VAL HB H 1 1.769 0.030 . 1 . . . . 68 VAL HB . 10320 1 691 . 1 1 68 68 VAL HG11 H 1 0.531 0.030 . 1 . . . . 68 VAL HG1 . 10320 1 692 . 1 1 68 68 VAL HG12 H 1 0.531 0.030 . 1 . . . . 68 VAL HG1 . 10320 1 693 . 1 1 68 68 VAL HG13 H 1 0.531 0.030 . 1 . . . . 68 VAL HG1 . 10320 1 694 . 1 1 68 68 VAL HG21 H 1 0.507 0.030 . 1 . . . . 68 VAL HG2 . 10320 1 695 . 1 1 68 68 VAL HG22 H 1 0.507 0.030 . 1 . . . . 68 VAL HG2 . 10320 1 696 . 1 1 68 68 VAL HG23 H 1 0.507 0.030 . 1 . . . . 68 VAL HG2 . 10320 1 697 . 1 1 68 68 VAL C C 13 175.430 0.300 . 1 . . . . 68 VAL C . 10320 1 698 . 1 1 68 68 VAL CA C 13 61.032 0.300 . 1 . . . . 68 VAL CA . 10320 1 699 . 1 1 68 68 VAL CB C 13 33.957 0.300 . 1 . . . . 68 VAL CB . 10320 1 700 . 1 1 68 68 VAL CG1 C 13 21.584 0.300 . 2 . . . . 68 VAL CG1 . 10320 1 701 . 1 1 68 68 VAL CG2 C 13 21.059 0.300 . 2 . . . . 68 VAL CG2 . 10320 1 702 . 1 1 68 68 VAL N N 15 122.453 0.300 . 1 . . . . 68 VAL N . 10320 1 703 . 1 1 69 69 GLU H H 1 9.317 0.030 . 1 . . . . 69 GLU H . 10320 1 704 . 1 1 69 69 GLU HA H 1 4.840 0.030 . 1 . . . . 69 GLU HA . 10320 1 705 . 1 1 69 69 GLU HB2 H 1 2.116 0.030 . 2 . . . . 69 GLU HB2 . 10320 1 706 . 1 1 69 69 GLU HB3 H 1 2.006 0.030 . 2 . . . . 69 GLU HB3 . 10320 1 707 . 1 1 69 69 GLU HG2 H 1 2.181 0.030 . 2 . . . . 69 GLU HG2 . 10320 1 708 . 1 1 69 69 GLU HG3 H 1 2.109 0.030 . 2 . . . . 69 GLU HG3 . 10320 1 709 . 1 1 69 69 GLU C C 13 175.146 0.300 . 1 . . . . 69 GLU C . 10320 1 710 . 1 1 69 69 GLU CA C 13 54.262 0.300 . 1 . . . . 69 GLU CA . 10320 1 711 . 1 1 69 69 GLU CB C 13 32.468 0.300 . 1 . . . . 69 GLU CB . 10320 1 712 . 1 1 69 69 GLU CG C 13 36.224 0.300 . 1 . . . . 69 GLU CG . 10320 1 713 . 1 1 69 69 GLU N N 15 128.949 0.300 . 1 . . . . 69 GLU N . 10320 1 714 . 1 1 70 70 GLY H H 1 8.409 0.030 . 1 . . . . 70 GLY H . 10320 1 715 . 1 1 70 70 GLY HA2 H 1 3.559 0.030 . 2 . . . . 70 GLY HA2 . 10320 1 716 . 1 1 70 70 GLY HA3 H 1 4.124 0.030 . 2 . . . . 70 GLY HA3 . 10320 1 717 . 1 1 70 70 GLY C C 13 171.761 0.300 . 1 . . . . 70 GLY C . 10320 1 718 . 1 1 70 70 GLY CA C 13 45.549 0.300 . 1 . . . . 70 GLY CA . 10320 1 719 . 1 1 70 70 GLY N N 15 110.342 0.300 . 1 . . . . 70 GLY N . 10320 1 720 . 1 1 71 71 PRO HA H 1 4.332 0.030 . 1 . . . . 71 PRO HA . 10320 1 721 . 1 1 71 71 PRO HB2 H 1 1.786 0.030 . 2 . . . . 71 PRO HB2 . 10320 1 722 . 1 1 71 71 PRO HB3 H 1 2.247 0.030 . 2 . . . . 71 PRO HB3 . 10320 1 723 . 1 1 71 71 PRO HD2 H 1 2.929 0.030 . 2 . . . . 71 PRO HD2 . 10320 1 724 . 1 1 71 71 PRO HD3 H 1 1.895 0.030 . 2 . . . . 71 PRO HD3 . 10320 1 725 . 1 1 71 71 PRO HG2 H 1 1.592 0.030 . 2 . . . . 71 PRO HG2 . 10320 1 726 . 1 1 71 71 PRO HG3 H 1 1.762 0.030 . 2 . . . . 71 PRO HG3 . 10320 1 727 . 1 1 71 71 PRO C C 13 175.743 0.300 . 1 . . . . 71 PRO C . 10320 1 728 . 1 1 71 71 PRO CA C 13 63.837 0.300 . 1 . . . . 71 PRO CA . 10320 1 729 . 1 1 71 71 PRO CB C 13 32.163 0.300 . 1 . . . . 71 PRO CB . 10320 1 730 . 1 1 71 71 PRO CD C 13 49.152 0.300 . 1 . . . . 71 PRO CD . 10320 1 731 . 1 1 71 71 PRO CG C 13 26.605 0.300 . 1 . . . . 71 PRO CG . 10320 1 732 . 1 1 72 72 CYS H H 1 7.224 0.030 . 1 . . . . 72 CYS H . 10320 1 733 . 1 1 72 72 CYS HA H 1 4.708 0.030 . 1 . . . . 72 CYS HA . 10320 1 734 . 1 1 72 72 CYS HB2 H 1 2.785 0.030 . 2 . . . . 72 CYS HB2 . 10320 1 735 . 1 1 72 72 CYS HB3 H 1 2.984 0.030 . 2 . . . . 72 CYS HB3 . 10320 1 736 . 1 1 72 72 CYS C C 13 172.560 0.300 . 1 . . . . 72 CYS C . 10320 1 737 . 1 1 72 72 CYS CA C 13 55.650 0.300 . 1 . . . . 72 CYS CA . 10320 1 738 . 1 1 72 72 CYS CB C 13 30.715 0.300 . 1 . . . . 72 CYS CB . 10320 1 739 . 1 1 72 72 CYS N N 15 112.473 0.300 . 1 . . . . 72 CYS N . 10320 1 740 . 1 1 73 73 GLU H H 1 8.658 0.030 . 1 . . . . 73 GLU H . 10320 1 741 . 1 1 73 73 GLU HA H 1 4.420 0.030 . 1 . . . . 73 GLU HA . 10320 1 742 . 1 1 73 73 GLU HB2 H 1 1.996 0.030 . 1 . . . . 73 GLU HB2 . 10320 1 743 . 1 1 73 73 GLU HB3 H 1 1.996 0.030 . 1 . . . . 73 GLU HB3 . 10320 1 744 . 1 1 73 73 GLU HG2 H 1 2.275 0.030 . 2 . . . . 73 GLU HG2 . 10320 1 745 . 1 1 73 73 GLU HG3 H 1 2.197 0.030 . 2 . . . . 73 GLU HG3 . 10320 1 746 . 1 1 73 73 GLU C C 13 175.588 0.300 . 1 . . . . 73 GLU C . 10320 1 747 . 1 1 73 73 GLU CA C 13 56.405 0.300 . 1 . . . . 73 GLU CA . 10320 1 748 . 1 1 73 73 GLU CB C 13 29.134 0.300 . 1 . . . . 73 GLU CB . 10320 1 749 . 1 1 73 73 GLU CG C 13 36.115 0.300 . 1 . . . . 73 GLU CG . 10320 1 750 . 1 1 73 73 GLU N N 15 122.663 0.300 . 1 . . . . 73 GLU N . 10320 1 751 . 1 1 74 74 ALA H H 1 8.764 0.030 . 1 . . . . 74 ALA H . 10320 1 752 . 1 1 74 74 ALA HA H 1 4.561 0.030 . 1 . . . . 74 ALA HA . 10320 1 753 . 1 1 74 74 ALA HB1 H 1 1.269 0.030 . 1 . . . . 74 ALA HB . 10320 1 754 . 1 1 74 74 ALA HB2 H 1 1.269 0.030 . 1 . . . . 74 ALA HB . 10320 1 755 . 1 1 74 74 ALA HB3 H 1 1.269 0.030 . 1 . . . . 74 ALA HB . 10320 1 756 . 1 1 74 74 ALA C C 13 176.080 0.300 . 1 . . . . 74 ALA C . 10320 1 757 . 1 1 74 74 ALA CA C 13 51.293 0.300 . 1 . . . . 74 ALA CA . 10320 1 758 . 1 1 74 74 ALA CB C 13 20.436 0.300 . 1 . . . . 74 ALA CB . 10320 1 759 . 1 1 74 74 ALA N N 15 130.518 0.300 . 1 . . . . 74 ALA N . 10320 1 760 . 1 1 75 75 LYS H H 1 8.768 0.030 . 1 . . . . 75 LYS H . 10320 1 761 . 1 1 75 75 LYS HA H 1 4.211 0.030 . 1 . . . . 75 LYS HA . 10320 1 762 . 1 1 75 75 LYS HB2 H 1 1.809 0.030 . 2 . . . . 75 LYS HB2 . 10320 1 763 . 1 1 75 75 LYS HB3 H 1 1.762 0.030 . 2 . . . . 75 LYS HB3 . 10320 1 764 . 1 1 75 75 LYS HD2 H 1 1.676 0.030 . 1 . . . . 75 LYS HD2 . 10320 1 765 . 1 1 75 75 LYS HD3 H 1 1.676 0.030 . 1 . . . . 75 LYS HD3 . 10320 1 766 . 1 1 75 75 LYS HE2 H 1 2.951 0.030 . 1 . . . . 75 LYS HE2 . 10320 1 767 . 1 1 75 75 LYS HE3 H 1 2.951 0.030 . 1 . . . . 75 LYS HE3 . 10320 1 768 . 1 1 75 75 LYS HG2 H 1 1.345 0.030 . 2 . . . . 75 LYS HG2 . 10320 1 769 . 1 1 75 75 LYS HG3 H 1 1.469 0.030 . 2 . . . . 75 LYS HG3 . 10320 1 770 . 1 1 75 75 LYS C C 13 176.614 0.300 . 1 . . . . 75 LYS C . 10320 1 771 . 1 1 75 75 LYS CA C 13 57.063 0.300 . 1 . . . . 75 LYS CA . 10320 1 772 . 1 1 75 75 LYS CB C 13 32.952 0.300 . 1 . . . . 75 LYS CB . 10320 1 773 . 1 1 75 75 LYS CD C 13 29.109 0.300 . 1 . . . . 75 LYS CD . 10320 1 774 . 1 1 75 75 LYS CE C 13 42.163 0.300 . 1 . . . . 75 LYS CE . 10320 1 775 . 1 1 75 75 LYS CG C 13 25.026 0.300 . 1 . . . . 75 LYS CG . 10320 1 776 . 1 1 75 75 LYS N N 15 124.343 0.300 . 1 . . . . 75 LYS N . 10320 1 777 . 1 1 76 76 ILE H H 1 8.630 0.030 . 1 . . . . 76 ILE H . 10320 1 778 . 1 1 76 76 ILE HA H 1 4.869 0.030 . 1 . . . . 76 ILE HA . 10320 1 779 . 1 1 76 76 ILE HB H 1 1.640 0.030 . 1 . . . . 76 ILE HB . 10320 1 780 . 1 1 76 76 ILE HD11 H 1 0.827 0.030 . 1 . . . . 76 ILE HD1 . 10320 1 781 . 1 1 76 76 ILE HD12 H 1 0.827 0.030 . 1 . . . . 76 ILE HD1 . 10320 1 782 . 1 1 76 76 ILE HD13 H 1 0.827 0.030 . 1 . . . . 76 ILE HD1 . 10320 1 783 . 1 1 76 76 ILE HG12 H 1 1.805 0.030 . 2 . . . . 76 ILE HG12 . 10320 1 784 . 1 1 76 76 ILE HG13 H 1 0.797 0.030 . 2 . . . . 76 ILE HG13 . 10320 1 785 . 1 1 76 76 ILE HG21 H 1 0.759 0.030 . 1 . . . . 76 ILE HG2 . 10320 1 786 . 1 1 76 76 ILE HG22 H 1 0.759 0.030 . 1 . . . . 76 ILE HG2 . 10320 1 787 . 1 1 76 76 ILE HG23 H 1 0.759 0.030 . 1 . . . . 76 ILE HG2 . 10320 1 788 . 1 1 76 76 ILE C C 13 175.626 0.300 . 1 . . . . 76 ILE C . 10320 1 789 . 1 1 76 76 ILE CA C 13 60.263 0.300 . 1 . . . . 76 ILE CA . 10320 1 790 . 1 1 76 76 ILE CB C 13 41.017 0.300 . 1 . . . . 76 ILE CB . 10320 1 791 . 1 1 76 76 ILE CD1 C 13 14.612 0.300 . 1 . . . . 76 ILE CD1 . 10320 1 792 . 1 1 76 76 ILE CG1 C 13 28.015 0.300 . 1 . . . . 76 ILE CG1 . 10320 1 793 . 1 1 76 76 ILE CG2 C 13 17.482 0.300 . 1 . . . . 76 ILE CG2 . 10320 1 794 . 1 1 76 76 ILE N N 15 126.749 0.300 . 1 . . . . 76 ILE N . 10320 1 795 . 1 1 77 77 GLU H H 1 9.082 0.030 . 1 . . . . 77 GLU H . 10320 1 796 . 1 1 77 77 GLU HA H 1 4.604 0.030 . 1 . . . . 77 GLU HA . 10320 1 797 . 1 1 77 77 GLU HB2 H 1 1.877 0.030 . 2 . . . . 77 GLU HB2 . 10320 1 798 . 1 1 77 77 GLU HB3 H 1 1.765 0.030 . 2 . . . . 77 GLU HB3 . 10320 1 799 . 1 1 77 77 GLU HG2 H 1 2.091 0.030 . 1 . . . . 77 GLU HG2 . 10320 1 800 . 1 1 77 77 GLU HG3 H 1 2.091 0.030 . 1 . . . . 77 GLU HG3 . 10320 1 801 . 1 1 77 77 GLU C C 13 174.403 0.300 . 1 . . . . 77 GLU C . 10320 1 802 . 1 1 77 77 GLU CA C 13 55.007 0.300 . 1 . . . . 77 GLU CA . 10320 1 803 . 1 1 77 77 GLU CB C 13 32.130 0.300 . 1 . . . . 77 GLU CB . 10320 1 804 . 1 1 77 77 GLU CG C 13 35.797 0.300 . 1 . . . . 77 GLU CG . 10320 1 805 . 1 1 77 77 GLU N N 15 127.592 0.300 . 1 . . . . 77 GLU N . 10320 1 806 . 1 1 78 78 CYS H H 1 8.731 0.030 . 1 . . . . 78 CYS H . 10320 1 807 . 1 1 78 78 CYS HA H 1 5.035 0.030 . 1 . . . . 78 CYS HA . 10320 1 808 . 1 1 78 78 CYS HB2 H 1 2.375 0.030 . 2 . . . . 78 CYS HB2 . 10320 1 809 . 1 1 78 78 CYS HB3 H 1 2.798 0.030 . 2 . . . . 78 CYS HB3 . 10320 1 810 . 1 1 78 78 CYS C C 13 173.436 0.300 . 1 . . . . 78 CYS C . 10320 1 811 . 1 1 78 78 CYS CA C 13 57.141 0.300 . 1 . . . . 78 CYS CA . 10320 1 812 . 1 1 78 78 CYS CB C 13 28.726 0.300 . 1 . . . . 78 CYS CB . 10320 1 813 . 1 1 78 78 CYS N N 15 123.288 0.300 . 1 . . . . 78 CYS N . 10320 1 814 . 1 1 79 79 SER H H 1 8.889 0.030 . 1 . . . . 79 SER H . 10320 1 815 . 1 1 79 79 SER HA H 1 4.717 0.030 . 1 . . . . 79 SER HA . 10320 1 816 . 1 1 79 79 SER HB2 H 1 3.744 0.030 . 2 . . . . 79 SER HB2 . 10320 1 817 . 1 1 79 79 SER HB3 H 1 3.647 0.030 . 2 . . . . 79 SER HB3 . 10320 1 818 . 1 1 79 79 SER C C 13 172.759 0.300 . 1 . . . . 79 SER C . 10320 1 819 . 1 1 79 79 SER CA C 13 56.700 0.300 . 1 . . . . 79 SER CA . 10320 1 820 . 1 1 79 79 SER CB C 13 64.535 0.300 . 1 . . . . 79 SER CB . 10320 1 821 . 1 1 79 79 SER N N 15 122.685 0.300 . 1 . . . . 79 SER N . 10320 1 822 . 1 1 80 80 ASP H H 1 8.807 0.030 . 1 . . . . 80 ASP H . 10320 1 823 . 1 1 80 80 ASP HA H 1 4.721 0.030 . 1 . . . . 80 ASP HA . 10320 1 824 . 1 1 80 80 ASP HB2 H 1 2.593 0.030 . 2 . . . . 80 ASP HB2 . 10320 1 825 . 1 1 80 80 ASP HB3 H 1 2.838 0.030 . 2 . . . . 80 ASP HB3 . 10320 1 826 . 1 1 80 80 ASP C C 13 177.252 0.300 . 1 . . . . 80 ASP C . 10320 1 827 . 1 1 80 80 ASP CA C 13 54.330 0.300 . 1 . . . . 80 ASP CA . 10320 1 828 . 1 1 80 80 ASP CB C 13 41.497 0.300 . 1 . . . . 80 ASP CB . 10320 1 829 . 1 1 80 80 ASP N N 15 126.372 0.300 . 1 . . . . 80 ASP N . 10320 1 830 . 1 1 81 81 ASN H H 1 8.832 0.030 . 1 . . . . 81 ASN H . 10320 1 831 . 1 1 81 81 ASN HA H 1 4.893 0.030 . 1 . . . . 81 ASN HA . 10320 1 832 . 1 1 81 81 ASN HB2 H 1 2.725 0.030 . 2 . . . . 81 ASN HB2 . 10320 1 833 . 1 1 81 81 ASN HB3 H 1 2.990 0.030 . 2 . . . . 81 ASN HB3 . 10320 1 834 . 1 1 81 81 ASN HD21 H 1 7.190 0.030 . 2 . . . . 81 ASN HD21 . 10320 1 835 . 1 1 81 81 ASN HD22 H 1 7.558 0.030 . 2 . . . . 81 ASN HD22 . 10320 1 836 . 1 1 81 81 ASN C C 13 177.138 0.300 . 1 . . . . 81 ASN C . 10320 1 837 . 1 1 81 81 ASN CA C 13 54.447 0.300 . 1 . . . . 81 ASN CA . 10320 1 838 . 1 1 81 81 ASN CB C 13 38.872 0.300 . 1 . . . . 81 ASN CB . 10320 1 839 . 1 1 81 81 ASN N N 15 124.424 0.300 . 1 . . . . 81 ASN N . 10320 1 840 . 1 1 81 81 ASN ND2 N 15 114.239 0.300 . 1 . . . . 81 ASN ND2 . 10320 1 841 . 1 1 82 82 GLY H H 1 9.257 0.030 . 1 . . . . 82 GLY H . 10320 1 842 . 1 1 82 82 GLY HA2 H 1 3.792 0.030 . 2 . . . . 82 GLY HA2 . 10320 1 843 . 1 1 82 82 GLY HA3 H 1 4.095 0.030 . 2 . . . . 82 GLY HA3 . 10320 1 844 . 1 1 82 82 GLY C C 13 173.356 0.300 . 1 . . . . 82 GLY C . 10320 1 845 . 1 1 82 82 GLY CA C 13 46.176 0.300 . 1 . . . . 82 GLY CA . 10320 1 846 . 1 1 82 82 GLY N N 15 109.403 0.300 . 1 . . . . 82 GLY N . 10320 1 847 . 1 1 83 83 ASP H H 1 7.963 0.030 . 1 . . . . 83 ASP H . 10320 1 848 . 1 1 83 83 ASP HA H 1 4.721 0.030 . 1 . . . . 83 ASP HA . 10320 1 849 . 1 1 83 83 ASP HB2 H 1 2.409 0.030 . 2 . . . . 83 ASP HB2 . 10320 1 850 . 1 1 83 83 ASP HB3 H 1 3.007 0.030 . 2 . . . . 83 ASP HB3 . 10320 1 851 . 1 1 83 83 ASP C C 13 177.039 0.300 . 1 . . . . 83 ASP C . 10320 1 852 . 1 1 83 83 ASP CA C 13 52.033 0.300 . 1 . . . . 83 ASP CA . 10320 1 853 . 1 1 83 83 ASP CB C 13 41.134 0.300 . 1 . . . . 83 ASP CB . 10320 1 854 . 1 1 83 83 ASP N N 15 118.837 0.300 . 1 . . . . 83 ASP N . 10320 1 855 . 1 1 84 84 GLY H H 1 9.035 0.030 . 1 . . . . 84 GLY H . 10320 1 856 . 1 1 84 84 GLY HA2 H 1 3.601 0.030 . 2 . . . . 84 GLY HA2 . 10320 1 857 . 1 1 84 84 GLY HA3 H 1 4.243 0.030 . 2 . . . . 84 GLY HA3 . 10320 1 858 . 1 1 84 84 GLY C C 13 173.297 0.300 . 1 . . . . 84 GLY C . 10320 1 859 . 1 1 84 84 GLY CA C 13 45.288 0.300 . 1 . . . . 84 GLY CA . 10320 1 860 . 1 1 84 84 GLY N N 15 109.785 0.300 . 1 . . . . 84 GLY N . 10320 1 861 . 1 1 85 85 THR H H 1 8.081 0.030 . 1 . . . . 85 THR H . 10320 1 862 . 1 1 85 85 THR HA H 1 5.784 0.030 . 1 . . . . 85 THR HA . 10320 1 863 . 1 1 85 85 THR HB H 1 4.096 0.030 . 1 . . . . 85 THR HB . 10320 1 864 . 1 1 85 85 THR HG21 H 1 1.093 0.030 . 1 . . . . 85 THR HG2 . 10320 1 865 . 1 1 85 85 THR HG22 H 1 1.093 0.030 . 1 . . . . 85 THR HG2 . 10320 1 866 . 1 1 85 85 THR HG23 H 1 1.093 0.030 . 1 . . . . 85 THR HG2 . 10320 1 867 . 1 1 85 85 THR C C 13 173.809 0.300 . 1 . . . . 85 THR C . 10320 1 868 . 1 1 85 85 THR CA C 13 59.559 0.300 . 1 . . . . 85 THR CA . 10320 1 869 . 1 1 85 85 THR CB C 13 73.094 0.300 . 1 . . . . 85 THR CB . 10320 1 870 . 1 1 85 85 THR CG2 C 13 21.324 0.300 . 1 . . . . 85 THR CG2 . 10320 1 871 . 1 1 85 85 THR N N 15 110.335 0.300 . 1 . . . . 85 THR N . 10320 1 872 . 1 1 86 86 CYS H H 1 9.143 0.030 . 1 . . . . 86 CYS H . 10320 1 873 . 1 1 86 86 CYS HA H 1 5.339 0.030 . 1 . . . . 86 CYS HA . 10320 1 874 . 1 1 86 86 CYS HB2 H 1 2.578 0.030 . 2 . . . . 86 CYS HB2 . 10320 1 875 . 1 1 86 86 CYS HB3 H 1 2.772 0.030 . 2 . . . . 86 CYS HB3 . 10320 1 876 . 1 1 86 86 CYS C C 13 173.822 0.300 . 1 . . . . 86 CYS C . 10320 1 877 . 1 1 86 86 CYS CA C 13 56.326 0.300 . 1 . . . . 86 CYS CA . 10320 1 878 . 1 1 86 86 CYS CB C 13 31.200 0.300 . 1 . . . . 86 CYS CB . 10320 1 879 . 1 1 86 86 CYS N N 15 116.827 0.300 . 1 . . . . 86 CYS N . 10320 1 880 . 1 1 87 87 SER H H 1 8.940 0.030 . 1 . . . . 87 SER H . 10320 1 881 . 1 1 87 87 SER HA H 1 4.791 0.030 . 1 . . . . 87 SER HA . 10320 1 882 . 1 1 87 87 SER HB2 H 1 3.724 0.030 . 2 . . . . 87 SER HB2 . 10320 1 883 . 1 1 87 87 SER HB3 H 1 3.961 0.030 . 2 . . . . 87 SER HB3 . 10320 1 884 . 1 1 87 87 SER C C 13 172.952 0.300 . 1 . . . . 87 SER C . 10320 1 885 . 1 1 87 87 SER CA C 13 58.266 0.300 . 1 . . . . 87 SER CA . 10320 1 886 . 1 1 87 87 SER CB C 13 64.024 0.300 . 1 . . . . 87 SER CB . 10320 1 887 . 1 1 87 87 SER N N 15 120.963 0.300 . 1 . . . . 87 SER N . 10320 1 888 . 1 1 88 88 VAL H H 1 8.760 0.030 . 1 . . . . 88 VAL H . 10320 1 889 . 1 1 88 88 VAL HA H 1 4.826 0.030 . 1 . . . . 88 VAL HA . 10320 1 890 . 1 1 88 88 VAL HB H 1 0.003 0.030 . 1 . . . . 88 VAL HB . 10320 1 891 . 1 1 88 88 VAL HG11 H 1 0.553 0.030 . 1 . . . . 88 VAL HG1 . 10320 1 892 . 1 1 88 88 VAL HG12 H 1 0.553 0.030 . 1 . . . . 88 VAL HG1 . 10320 1 893 . 1 1 88 88 VAL HG13 H 1 0.553 0.030 . 1 . . . . 88 VAL HG1 . 10320 1 894 . 1 1 88 88 VAL HG21 H 1 0.509 0.030 . 1 . . . . 88 VAL HG2 . 10320 1 895 . 1 1 88 88 VAL HG22 H 1 0.509 0.030 . 1 . . . . 88 VAL HG2 . 10320 1 896 . 1 1 88 88 VAL HG23 H 1 0.509 0.030 . 1 . . . . 88 VAL HG2 . 10320 1 897 . 1 1 88 88 VAL C C 13 174.711 0.300 . 1 . . . . 88 VAL C . 10320 1 898 . 1 1 88 88 VAL CA C 13 59.979 0.300 . 1 . . . . 88 VAL CA . 10320 1 899 . 1 1 88 88 VAL CB C 13 33.546 0.300 . 1 . . . . 88 VAL CB . 10320 1 900 . 1 1 88 88 VAL CG1 C 13 23.947 0.300 . 2 . . . . 88 VAL CG1 . 10320 1 901 . 1 1 88 88 VAL CG2 C 13 21.992 0.300 . 2 . . . . 88 VAL CG2 . 10320 1 902 . 1 1 88 88 VAL N N 15 127.417 0.300 . 1 . . . . 88 VAL N . 10320 1 903 . 1 1 89 89 SER H H 1 8.690 0.030 . 1 . . . . 89 SER H . 10320 1 904 . 1 1 89 89 SER HA H 1 5.365 0.030 . 1 . . . . 89 SER HA . 10320 1 905 . 1 1 89 89 SER HB2 H 1 3.380 0.030 . 2 . . . . 89 SER HB2 . 10320 1 906 . 1 1 89 89 SER HB3 H 1 3.618 0.030 . 2 . . . . 89 SER HB3 . 10320 1 907 . 1 1 89 89 SER C C 13 173.004 0.300 . 1 . . . . 89 SER C . 10320 1 908 . 1 1 89 89 SER CA C 13 56.617 0.300 . 1 . . . . 89 SER CA . 10320 1 909 . 1 1 89 89 SER CB C 13 66.376 0.300 . 1 . . . . 89 SER CB . 10320 1 910 . 1 1 89 89 SER N N 15 118.877 0.300 . 1 . . . . 89 SER N . 10320 1 911 . 1 1 90 90 TYR H H 1 8.472 0.030 . 1 . . . . 90 TYR H . 10320 1 912 . 1 1 90 90 TYR HA H 1 5.775 0.030 . 1 . . . . 90 TYR HA . 10320 1 913 . 1 1 90 90 TYR HB2 H 1 2.567 0.030 . 2 . . . . 90 TYR HB2 . 10320 1 914 . 1 1 90 90 TYR HB3 H 1 2.706 0.030 . 2 . . . . 90 TYR HB3 . 10320 1 915 . 1 1 90 90 TYR HD1 H 1 6.486 0.030 . 1 . . . . 90 TYR HD1 . 10320 1 916 . 1 1 90 90 TYR HD2 H 1 6.486 0.030 . 1 . . . . 90 TYR HD2 . 10320 1 917 . 1 1 90 90 TYR HE1 H 1 5.979 0.030 . 1 . . . . 90 TYR HE1 . 10320 1 918 . 1 1 90 90 TYR HE2 H 1 5.979 0.030 . 1 . . . . 90 TYR HE2 . 10320 1 919 . 1 1 90 90 TYR C C 13 173.432 0.300 . 1 . . . . 90 TYR C . 10320 1 920 . 1 1 90 90 TYR CA C 13 55.069 0.300 . 1 . . . . 90 TYR CA . 10320 1 921 . 1 1 90 90 TYR CB C 13 41.717 0.300 . 1 . . . . 90 TYR CB . 10320 1 922 . 1 1 90 90 TYR CD1 C 13 132.361 0.300 . 1 . . . . 90 TYR CD1 . 10320 1 923 . 1 1 90 90 TYR CD2 C 13 132.361 0.300 . 1 . . . . 90 TYR CD2 . 10320 1 924 . 1 1 90 90 TYR CE1 C 13 117.311 0.300 . 1 . . . . 90 TYR CE1 . 10320 1 925 . 1 1 90 90 TYR CE2 C 13 117.311 0.300 . 1 . . . . 90 TYR CE2 . 10320 1 926 . 1 1 90 90 TYR N N 15 117.749 0.300 . 1 . . . . 90 TYR N . 10320 1 927 . 1 1 91 91 LEU H H 1 7.700 0.030 . 1 . . . . 91 LEU H . 10320 1 928 . 1 1 91 91 LEU HA H 1 4.948 0.030 . 1 . . . . 91 LEU HA . 10320 1 929 . 1 1 91 91 LEU HB2 H 1 1.262 0.030 . 2 . . . . 91 LEU HB2 . 10320 1 930 . 1 1 91 91 LEU HB3 H 1 1.921 0.030 . 2 . . . . 91 LEU HB3 . 10320 1 931 . 1 1 91 91 LEU HD11 H 1 0.645 0.030 . 1 . . . . 91 LEU HD1 . 10320 1 932 . 1 1 91 91 LEU HD12 H 1 0.645 0.030 . 1 . . . . 91 LEU HD1 . 10320 1 933 . 1 1 91 91 LEU HD13 H 1 0.645 0.030 . 1 . . . . 91 LEU HD1 . 10320 1 934 . 1 1 91 91 LEU HD21 H 1 0.453 0.030 . 1 . . . . 91 LEU HD2 . 10320 1 935 . 1 1 91 91 LEU HD22 H 1 0.453 0.030 . 1 . . . . 91 LEU HD2 . 10320 1 936 . 1 1 91 91 LEU HD23 H 1 0.453 0.030 . 1 . . . . 91 LEU HD2 . 10320 1 937 . 1 1 91 91 LEU HG H 1 1.240 0.030 . 1 . . . . 91 LEU HG . 10320 1 938 . 1 1 91 91 LEU C C 13 173.337 0.300 . 1 . . . . 91 LEU C . 10320 1 939 . 1 1 91 91 LEU CA C 13 50.433 0.300 . 1 . . . . 91 LEU CA . 10320 1 940 . 1 1 91 91 LEU CB C 13 42.451 0.300 . 1 . . . . 91 LEU CB . 10320 1 941 . 1 1 91 91 LEU CD1 C 13 24.611 0.300 . 2 . . . . 91 LEU CD1 . 10320 1 942 . 1 1 91 91 LEU CD2 C 13 22.986 0.300 . 2 . . . . 91 LEU CD2 . 10320 1 943 . 1 1 91 91 LEU CG C 13 27.639 0.300 . 1 . . . . 91 LEU CG . 10320 1 944 . 1 1 91 91 LEU N N 15 122.225 0.300 . 1 . . . . 91 LEU N . 10320 1 945 . 1 1 92 92 PRO HA H 1 4.713 0.030 . 1 . . . . 92 PRO HA . 10320 1 946 . 1 1 92 92 PRO HB2 H 1 1.691 0.030 . 2 . . . . 92 PRO HB2 . 10320 1 947 . 1 1 92 92 PRO HB3 H 1 1.272 0.030 . 2 . . . . 92 PRO HB3 . 10320 1 948 . 1 1 92 92 PRO HD2 H 1 3.451 0.030 . 2 . . . . 92 PRO HD2 . 10320 1 949 . 1 1 92 92 PRO HD3 H 1 4.025 0.030 . 2 . . . . 92 PRO HD3 . 10320 1 950 . 1 1 92 92 PRO HG2 H 1 1.467 0.030 . 2 . . . . 92 PRO HG2 . 10320 1 951 . 1 1 92 92 PRO HG3 H 1 2.142 0.030 . 2 . . . . 92 PRO HG3 . 10320 1 952 . 1 1 92 92 PRO C C 13 177.948 0.300 . 1 . . . . 92 PRO C . 10320 1 953 . 1 1 92 92 PRO CA C 13 61.894 0.300 . 1 . . . . 92 PRO CA . 10320 1 954 . 1 1 92 92 PRO CB C 13 32.943 0.300 . 1 . . . . 92 PRO CB . 10320 1 955 . 1 1 92 92 PRO CD C 13 50.541 0.300 . 1 . . . . 92 PRO CD . 10320 1 956 . 1 1 92 92 PRO CG C 13 27.048 0.300 . 1 . . . . 92 PRO CG . 10320 1 957 . 1 1 93 93 THR H H 1 8.674 0.030 . 1 . . . . 93 THR H . 10320 1 958 . 1 1 93 93 THR HA H 1 4.367 0.030 . 1 . . . . 93 THR HA . 10320 1 959 . 1 1 93 93 THR HB H 1 4.458 0.030 . 1 . . . . 93 THR HB . 10320 1 960 . 1 1 93 93 THR HG21 H 1 1.151 0.030 . 1 . . . . 93 THR HG2 . 10320 1 961 . 1 1 93 93 THR HG22 H 1 1.151 0.030 . 1 . . . . 93 THR HG2 . 10320 1 962 . 1 1 93 93 THR HG23 H 1 1.151 0.030 . 1 . . . . 93 THR HG2 . 10320 1 963 . 1 1 93 93 THR C C 13 174.221 0.300 . 1 . . . . 93 THR C . 10320 1 964 . 1 1 93 93 THR CA C 13 61.788 0.300 . 1 . . . . 93 THR CA . 10320 1 965 . 1 1 93 93 THR CB C 13 69.279 0.300 . 1 . . . . 93 THR CB . 10320 1 966 . 1 1 93 93 THR CG2 C 13 21.525 0.300 . 1 . . . . 93 THR CG2 . 10320 1 967 . 1 1 93 93 THR N N 15 113.096 0.300 . 1 . . . . 93 THR N . 10320 1 968 . 1 1 94 94 LYS H H 1 7.061 0.030 . 1 . . . . 94 LYS H . 10320 1 969 . 1 1 94 94 LYS HA H 1 4.766 0.030 . 1 . . . . 94 LYS HA . 10320 1 970 . 1 1 94 94 LYS HB2 H 1 1.897 0.030 . 2 . . . . 94 LYS HB2 . 10320 1 971 . 1 1 94 94 LYS HB3 H 1 1.406 0.030 . 2 . . . . 94 LYS HB3 . 10320 1 972 . 1 1 94 94 LYS HD2 H 1 1.600 0.030 . 2 . . . . 94 LYS HD2 . 10320 1 973 . 1 1 94 94 LYS HD3 H 1 1.740 0.030 . 2 . . . . 94 LYS HD3 . 10320 1 974 . 1 1 94 94 LYS HE2 H 1 3.012 0.030 . 1 . . . . 94 LYS HE2 . 10320 1 975 . 1 1 94 94 LYS HE3 H 1 3.012 0.030 . 1 . . . . 94 LYS HE3 . 10320 1 976 . 1 1 94 94 LYS HG2 H 1 1.553 0.030 . 2 . . . . 94 LYS HG2 . 10320 1 977 . 1 1 94 94 LYS HG3 H 1 1.486 0.030 . 2 . . . . 94 LYS HG3 . 10320 1 978 . 1 1 94 94 LYS C C 13 173.921 0.300 . 1 . . . . 94 LYS C . 10320 1 979 . 1 1 94 94 LYS CA C 13 53.065 0.300 . 1 . . . . 94 LYS CA . 10320 1 980 . 1 1 94 94 LYS CB C 13 36.292 0.300 . 1 . . . . 94 LYS CB . 10320 1 981 . 1 1 94 94 LYS CD C 13 29.213 0.300 . 1 . . . . 94 LYS CD . 10320 1 982 . 1 1 94 94 LYS CE C 13 42.196 0.300 . 1 . . . . 94 LYS CE . 10320 1 983 . 1 1 94 94 LYS CG C 13 25.303 0.300 . 1 . . . . 94 LYS CG . 10320 1 984 . 1 1 94 94 LYS N N 15 119.309 0.300 . 1 . . . . 94 LYS N . 10320 1 985 . 1 1 95 95 PRO HA H 1 4.283 0.030 . 1 . . . . 95 PRO HA . 10320 1 986 . 1 1 95 95 PRO HB2 H 1 1.876 0.030 . 2 . . . . 95 PRO HB2 . 10320 1 987 . 1 1 95 95 PRO HB3 H 1 2.239 0.030 . 2 . . . . 95 PRO HB3 . 10320 1 988 . 1 1 95 95 PRO HD2 H 1 3.677 0.030 . 2 . . . . 95 PRO HD2 . 10320 1 989 . 1 1 95 95 PRO HD3 H 1 3.799 0.030 . 2 . . . . 95 PRO HD3 . 10320 1 990 . 1 1 95 95 PRO HG2 H 1 2.110 0.030 . 1 . . . . 95 PRO HG2 . 10320 1 991 . 1 1 95 95 PRO HG3 H 1 2.110 0.030 . 1 . . . . 95 PRO HG3 . 10320 1 992 . 1 1 95 95 PRO C C 13 174.338 0.300 . 1 . . . . 95 PRO C . 10320 1 993 . 1 1 95 95 PRO CA C 13 62.621 0.300 . 1 . . . . 95 PRO CA . 10320 1 994 . 1 1 95 95 PRO CB C 13 32.425 0.300 . 1 . . . . 95 PRO CB . 10320 1 995 . 1 1 95 95 PRO CD C 13 50.375 0.300 . 1 . . . . 95 PRO CD . 10320 1 996 . 1 1 95 95 PRO CG C 13 26.697 0.300 . 1 . . . . 95 PRO CG . 10320 1 997 . 1 1 96 96 GLY H H 1 8.870 0.030 . 1 . . . . 96 GLY H . 10320 1 998 . 1 1 96 96 GLY HA2 H 1 3.776 0.030 . 2 . . . . 96 GLY HA2 . 10320 1 999 . 1 1 96 96 GLY HA3 H 1 4.475 0.030 . 2 . . . . 96 GLY HA3 . 10320 1 1000 . 1 1 96 96 GLY C C 13 171.596 0.300 . 1 . . . . 96 GLY C . 10320 1 1001 . 1 1 96 96 GLY CA C 13 44.324 0.300 . 1 . . . . 96 GLY CA . 10320 1 1002 . 1 1 96 96 GLY N N 15 106.240 0.300 . 1 . . . . 96 GLY N . 10320 1 1003 . 1 1 97 97 GLU H H 1 8.171 0.030 . 1 . . . . 97 GLU H . 10320 1 1004 . 1 1 97 97 GLU HA H 1 4.745 0.030 . 1 . . . . 97 GLU HA . 10320 1 1005 . 1 1 97 97 GLU HB2 H 1 1.469 0.030 . 2 . . . . 97 GLU HB2 . 10320 1 1006 . 1 1 97 97 GLU HB3 H 1 1.822 0.030 . 2 . . . . 97 GLU HB3 . 10320 1 1007 . 1 1 97 97 GLU HG2 H 1 1.914 0.030 . 2 . . . . 97 GLU HG2 . 10320 1 1008 . 1 1 97 97 GLU HG3 H 1 2.155 0.030 . 2 . . . . 97 GLU HG3 . 10320 1 1009 . 1 1 97 97 GLU C C 13 175.110 0.300 . 1 . . . . 97 GLU C . 10320 1 1010 . 1 1 97 97 GLU CA C 13 55.592 0.300 . 1 . . . . 97 GLU CA . 10320 1 1011 . 1 1 97 97 GLU CB C 13 31.011 0.300 . 1 . . . . 97 GLU CB . 10320 1 1012 . 1 1 97 97 GLU CG C 13 36.774 0.300 . 1 . . . . 97 GLU CG . 10320 1 1013 . 1 1 97 97 GLU N N 15 120.141 0.300 . 1 . . . . 97 GLU N . 10320 1 1014 . 1 1 98 98 TYR H H 1 9.075 0.030 . 1 . . . . 98 TYR H . 10320 1 1015 . 1 1 98 98 TYR HA H 1 5.045 0.030 . 1 . . . . 98 TYR HA . 10320 1 1016 . 1 1 98 98 TYR HB2 H 1 2.308 0.030 . 2 . . . . 98 TYR HB2 . 10320 1 1017 . 1 1 98 98 TYR HB3 H 1 2.785 0.030 . 2 . . . . 98 TYR HB3 . 10320 1 1018 . 1 1 98 98 TYR HD1 H 1 7.059 0.030 . 1 . . . . 98 TYR HD1 . 10320 1 1019 . 1 1 98 98 TYR HD2 H 1 7.059 0.030 . 1 . . . . 98 TYR HD2 . 10320 1 1020 . 1 1 98 98 TYR HE1 H 1 6.758 0.030 . 1 . . . . 98 TYR HE1 . 10320 1 1021 . 1 1 98 98 TYR HE2 H 1 6.758 0.030 . 1 . . . . 98 TYR HE2 . 10320 1 1022 . 1 1 98 98 TYR C C 13 174.016 0.300 . 1 . . . . 98 TYR C . 10320 1 1023 . 1 1 98 98 TYR CA C 13 55.897 0.300 . 1 . . . . 98 TYR CA . 10320 1 1024 . 1 1 98 98 TYR CB C 13 40.013 0.300 . 1 . . . . 98 TYR CB . 10320 1 1025 . 1 1 98 98 TYR CD1 C 13 134.383 0.300 . 1 . . . . 98 TYR CD1 . 10320 1 1026 . 1 1 98 98 TYR CD2 C 13 134.383 0.300 . 1 . . . . 98 TYR CD2 . 10320 1 1027 . 1 1 98 98 TYR CE1 C 13 116.260 0.300 . 1 . . . . 98 TYR CE1 . 10320 1 1028 . 1 1 98 98 TYR CE2 C 13 116.260 0.300 . 1 . . . . 98 TYR CE2 . 10320 1 1029 . 1 1 98 98 TYR N N 15 124.416 0.300 . 1 . . . . 98 TYR N . 10320 1 1030 . 1 1 99 99 PHE H H 1 9.242 0.030 . 1 . . . . 99 PHE H . 10320 1 1031 . 1 1 99 99 PHE HA H 1 5.335 0.030 . 1 . . . . 99 PHE HA . 10320 1 1032 . 1 1 99 99 PHE HB2 H 1 2.880 0.030 . 2 . . . . 99 PHE HB2 . 10320 1 1033 . 1 1 99 99 PHE HB3 H 1 2.630 0.030 . 2 . . . . 99 PHE HB3 . 10320 1 1034 . 1 1 99 99 PHE HD1 H 1 6.974 0.030 . 1 . . . . 99 PHE HD1 . 10320 1 1035 . 1 1 99 99 PHE HD2 H 1 6.974 0.030 . 1 . . . . 99 PHE HD2 . 10320 1 1036 . 1 1 99 99 PHE HE1 H 1 7.186 0.030 . 1 . . . . 99 PHE HE1 . 10320 1 1037 . 1 1 99 99 PHE HE2 H 1 7.186 0.030 . 1 . . . . 99 PHE HE2 . 10320 1 1038 . 1 1 99 99 PHE HZ H 1 7.132 0.030 . 1 . . . . 99 PHE HZ . 10320 1 1039 . 1 1 99 99 PHE C C 13 175.188 0.300 . 1 . . . . 99 PHE C . 10320 1 1040 . 1 1 99 99 PHE CA C 13 56.154 0.300 . 1 . . . . 99 PHE CA . 10320 1 1041 . 1 1 99 99 PHE CB C 13 40.893 0.300 . 1 . . . . 99 PHE CB . 10320 1 1042 . 1 1 99 99 PHE CD1 C 13 131.398 0.300 . 1 . . . . 99 PHE CD1 . 10320 1 1043 . 1 1 99 99 PHE CD2 C 13 131.398 0.300 . 1 . . . . 99 PHE CD2 . 10320 1 1044 . 1 1 99 99 PHE CE1 C 13 131.275 0.300 . 1 . . . . 99 PHE CE1 . 10320 1 1045 . 1 1 99 99 PHE CE2 C 13 131.275 0.300 . 1 . . . . 99 PHE CE2 . 10320 1 1046 . 1 1 99 99 PHE CZ C 13 129.306 0.300 . 1 . . . . 99 PHE CZ . 10320 1 1047 . 1 1 99 99 PHE N N 15 119.033 0.300 . 1 . . . . 99 PHE N . 10320 1 1048 . 1 1 100 100 VAL H H 1 9.703 0.030 . 1 . . . . 100 VAL H . 10320 1 1049 . 1 1 100 100 VAL HA H 1 4.198 0.030 . 1 . . . . 100 VAL HA . 10320 1 1050 . 1 1 100 100 VAL HB H 1 2.054 0.030 . 1 . . . . 100 VAL HB . 10320 1 1051 . 1 1 100 100 VAL HG11 H 1 0.541 0.030 . 1 . . . . 100 VAL HG1 . 10320 1 1052 . 1 1 100 100 VAL HG12 H 1 0.541 0.030 . 1 . . . . 100 VAL HG1 . 10320 1 1053 . 1 1 100 100 VAL HG13 H 1 0.541 0.030 . 1 . . . . 100 VAL HG1 . 10320 1 1054 . 1 1 100 100 VAL HG21 H 1 0.566 0.030 . 1 . . . . 100 VAL HG2 . 10320 1 1055 . 1 1 100 100 VAL HG22 H 1 0.566 0.030 . 1 . . . . 100 VAL HG2 . 10320 1 1056 . 1 1 100 100 VAL HG23 H 1 0.566 0.030 . 1 . . . . 100 VAL HG2 . 10320 1 1057 . 1 1 100 100 VAL C C 13 175.178 0.300 . 1 . . . . 100 VAL C . 10320 1 1058 . 1 1 100 100 VAL CA C 13 62.081 0.300 . 1 . . . . 100 VAL CA . 10320 1 1059 . 1 1 100 100 VAL CB C 13 32.310 0.300 . 1 . . . . 100 VAL CB . 10320 1 1060 . 1 1 100 100 VAL CG1 C 13 21.113 0.300 . 2 . . . . 100 VAL CG1 . 10320 1 1061 . 1 1 100 100 VAL CG2 C 13 19.558 0.300 . 2 . . . . 100 VAL CG2 . 10320 1 1062 . 1 1 100 100 VAL N N 15 125.889 0.300 . 1 . . . . 100 VAL N . 10320 1 1063 . 1 1 101 101 ASN H H 1 9.195 0.030 . 1 . . . . 101 ASN H . 10320 1 1064 . 1 1 101 101 ASN HA H 1 5.033 0.030 . 1 . . . . 101 ASN HA . 10320 1 1065 . 1 1 101 101 ASN HB2 H 1 2.083 0.030 . 2 . . . . 101 ASN HB2 . 10320 1 1066 . 1 1 101 101 ASN HB3 H 1 3.251 0.030 . 2 . . . . 101 ASN HB3 . 10320 1 1067 . 1 1 101 101 ASN HD21 H 1 6.526 0.030 . 2 . . . . 101 ASN HD21 . 10320 1 1068 . 1 1 101 101 ASN HD22 H 1 6.923 0.030 . 2 . . . . 101 ASN HD22 . 10320 1 1069 . 1 1 101 101 ASN C C 13 173.810 0.300 . 1 . . . . 101 ASN C . 10320 1 1070 . 1 1 101 101 ASN CA C 13 52.769 0.300 . 1 . . . . 101 ASN CA . 10320 1 1071 . 1 1 101 101 ASN CB C 13 40.678 0.300 . 1 . . . . 101 ASN CB . 10320 1 1072 . 1 1 101 101 ASN N N 15 127.123 0.300 . 1 . . . . 101 ASN N . 10320 1 1073 . 1 1 101 101 ASN ND2 N 15 111.365 0.300 . 1 . . . . 101 ASN ND2 . 10320 1 1074 . 1 1 102 102 ILE H H 1 9.606 0.030 . 1 . . . . 102 ILE H . 10320 1 1075 . 1 1 102 102 ILE HA H 1 4.645 0.030 . 1 . . . . 102 ILE HA . 10320 1 1076 . 1 1 102 102 ILE HB H 1 1.820 0.030 . 1 . . . . 102 ILE HB . 10320 1 1077 . 1 1 102 102 ILE HD11 H 1 0.643 0.030 . 1 . . . . 102 ILE HD1 . 10320 1 1078 . 1 1 102 102 ILE HD12 H 1 0.643 0.030 . 1 . . . . 102 ILE HD1 . 10320 1 1079 . 1 1 102 102 ILE HD13 H 1 0.643 0.030 . 1 . . . . 102 ILE HD1 . 10320 1 1080 . 1 1 102 102 ILE HG12 H 1 0.924 0.030 . 2 . . . . 102 ILE HG12 . 10320 1 1081 . 1 1 102 102 ILE HG13 H 1 1.666 0.030 . 2 . . . . 102 ILE HG13 . 10320 1 1082 . 1 1 102 102 ILE HG21 H 1 0.838 0.030 . 1 . . . . 102 ILE HG2 . 10320 1 1083 . 1 1 102 102 ILE HG22 H 1 0.838 0.030 . 1 . . . . 102 ILE HG2 . 10320 1 1084 . 1 1 102 102 ILE HG23 H 1 0.838 0.030 . 1 . . . . 102 ILE HG2 . 10320 1 1085 . 1 1 102 102 ILE C C 13 172.684 0.300 . 1 . . . . 102 ILE C . 10320 1 1086 . 1 1 102 102 ILE CA C 13 61.176 0.300 . 1 . . . . 102 ILE CA . 10320 1 1087 . 1 1 102 102 ILE CB C 13 39.770 0.300 . 1 . . . . 102 ILE CB . 10320 1 1088 . 1 1 102 102 ILE CD1 C 13 15.287 0.300 . 1 . . . . 102 ILE CD1 . 10320 1 1089 . 1 1 102 102 ILE CG1 C 13 26.552 0.300 . 1 . . . . 102 ILE CG1 . 10320 1 1090 . 1 1 102 102 ILE CG2 C 13 18.385 0.300 . 1 . . . . 102 ILE CG2 . 10320 1 1091 . 1 1 102 102 ILE N N 15 123.417 0.300 . 1 . . . . 102 ILE N . 10320 1 1092 . 1 1 103 103 LEU H H 1 8.885 0.030 . 1 . . . . 103 LEU H . 10320 1 1093 . 1 1 103 103 LEU HA H 1 4.951 0.030 . 1 . . . . 103 LEU HA . 10320 1 1094 . 1 1 103 103 LEU HB2 H 1 1.391 0.030 . 2 . . . . 103 LEU HB2 . 10320 1 1095 . 1 1 103 103 LEU HB3 H 1 0.813 0.030 . 2 . . . . 103 LEU HB3 . 10320 1 1096 . 1 1 103 103 LEU HD11 H 1 -0.037 0.030 . 1 . . . . 103 LEU HD1 . 10320 1 1097 . 1 1 103 103 LEU HD12 H 1 -0.037 0.030 . 1 . . . . 103 LEU HD1 . 10320 1 1098 . 1 1 103 103 LEU HD13 H 1 -0.037 0.030 . 1 . . . . 103 LEU HD1 . 10320 1 1099 . 1 1 103 103 LEU HD21 H 1 0.331 0.030 . 1 . . . . 103 LEU HD2 . 10320 1 1100 . 1 1 103 103 LEU HD22 H 1 0.331 0.030 . 1 . . . . 103 LEU HD2 . 10320 1 1101 . 1 1 103 103 LEU HD23 H 1 0.331 0.030 . 1 . . . . 103 LEU HD2 . 10320 1 1102 . 1 1 103 103 LEU HG H 1 0.874 0.030 . 1 . . . . 103 LEU HG . 10320 1 1103 . 1 1 103 103 LEU C C 13 176.343 0.300 . 1 . . . . 103 LEU C . 10320 1 1104 . 1 1 103 103 LEU CA C 13 53.010 0.300 . 1 . . . . 103 LEU CA . 10320 1 1105 . 1 1 103 103 LEU CB C 13 44.755 0.300 . 1 . . . . 103 LEU CB . 10320 1 1106 . 1 1 103 103 LEU CD1 C 13 23.350 0.300 . 2 . . . . 103 LEU CD1 . 10320 1 1107 . 1 1 103 103 LEU CD2 C 13 25.201 0.300 . 2 . . . . 103 LEU CD2 . 10320 1 1108 . 1 1 103 103 LEU CG C 13 28.143 0.300 . 1 . . . . 103 LEU CG . 10320 1 1109 . 1 1 103 103 LEU N N 15 126.153 0.300 . 1 . . . . 103 LEU N . 10320 1 1110 . 1 1 104 104 PHE H H 1 9.280 0.030 . 1 . . . . 104 PHE H . 10320 1 1111 . 1 1 104 104 PHE HA H 1 5.244 0.030 . 1 . . . . 104 PHE HA . 10320 1 1112 . 1 1 104 104 PHE HB2 H 1 2.534 0.030 . 2 . . . . 104 PHE HB2 . 10320 1 1113 . 1 1 104 104 PHE HB3 H 1 2.842 0.030 . 2 . . . . 104 PHE HB3 . 10320 1 1114 . 1 1 104 104 PHE HD1 H 1 6.780 0.030 . 1 . . . . 104 PHE HD1 . 10320 1 1115 . 1 1 104 104 PHE HD2 H 1 6.780 0.030 . 1 . . . . 104 PHE HD2 . 10320 1 1116 . 1 1 104 104 PHE HE1 H 1 7.120 0.030 . 1 . . . . 104 PHE HE1 . 10320 1 1117 . 1 1 104 104 PHE HE2 H 1 7.120 0.030 . 1 . . . . 104 PHE HE2 . 10320 1 1118 . 1 1 104 104 PHE HZ H 1 7.039 0.030 . 1 . . . . 104 PHE HZ . 10320 1 1119 . 1 1 104 104 PHE C C 13 174.979 0.300 . 1 . . . . 104 PHE C . 10320 1 1120 . 1 1 104 104 PHE CA C 13 56.470 0.300 . 1 . . . . 104 PHE CA . 10320 1 1121 . 1 1 104 104 PHE CB C 13 43.054 0.300 . 1 . . . . 104 PHE CB . 10320 1 1122 . 1 1 104 104 PHE CD1 C 13 130.717 0.300 . 1 . . . . 104 PHE CD1 . 10320 1 1123 . 1 1 104 104 PHE CD2 C 13 130.717 0.300 . 1 . . . . 104 PHE CD2 . 10320 1 1124 . 1 1 104 104 PHE CE1 C 13 131.549 0.300 . 1 . . . . 104 PHE CE1 . 10320 1 1125 . 1 1 104 104 PHE CE2 C 13 131.549 0.300 . 1 . . . . 104 PHE CE2 . 10320 1 1126 . 1 1 104 104 PHE CZ C 13 130.108 0.300 . 1 . . . . 104 PHE CZ . 10320 1 1127 . 1 1 104 104 PHE N N 15 122.689 0.300 . 1 . . . . 104 PHE N . 10320 1 1128 . 1 1 105 105 GLU H H 1 8.837 0.030 . 1 . . . . 105 GLU H . 10320 1 1129 . 1 1 105 105 GLU HA H 1 3.621 0.030 . 1 . . . . 105 GLU HA . 10320 1 1130 . 1 1 105 105 GLU HB2 H 1 1.811 0.030 . 2 . . . . 105 GLU HB2 . 10320 1 1131 . 1 1 105 105 GLU HB3 H 1 2.093 0.030 . 2 . . . . 105 GLU HB3 . 10320 1 1132 . 1 1 105 105 GLU HG2 H 1 1.473 0.030 . 2 . . . . 105 GLU HG2 . 10320 1 1133 . 1 1 105 105 GLU HG3 H 1 1.993 0.030 . 2 . . . . 105 GLU HG3 . 10320 1 1134 . 1 1 105 105 GLU C C 13 175.597 0.300 . 1 . . . . 105 GLU C . 10320 1 1135 . 1 1 105 105 GLU CA C 13 56.803 0.300 . 1 . . . . 105 GLU CA . 10320 1 1136 . 1 1 105 105 GLU CB C 13 27.706 0.300 . 1 . . . . 105 GLU CB . 10320 1 1137 . 1 1 105 105 GLU CG C 13 36.781 0.300 . 1 . . . . 105 GLU CG . 10320 1 1138 . 1 1 105 105 GLU N N 15 124.600 0.300 . 1 . . . . 105 GLU N . 10320 1 1139 . 1 1 106 106 GLU H H 1 8.670 0.030 . 1 . . . . 106 GLU H . 10320 1 1140 . 1 1 106 106 GLU HA H 1 3.393 0.030 . 1 . . . . 106 GLU HA . 10320 1 1141 . 1 1 106 106 GLU HB2 H 1 2.254 0.030 . 2 . . . . 106 GLU HB2 . 10320 1 1142 . 1 1 106 106 GLU HB3 H 1 2.160 0.030 . 2 . . . . 106 GLU HB3 . 10320 1 1143 . 1 1 106 106 GLU HG2 H 1 2.050 0.030 . 2 . . . . 106 GLU HG2 . 10320 1 1144 . 1 1 106 106 GLU HG3 H 1 1.914 0.030 . 2 . . . . 106 GLU HG3 . 10320 1 1145 . 1 1 106 106 GLU C C 13 174.905 0.300 . 1 . . . . 106 GLU C . 10320 1 1146 . 1 1 106 106 GLU CA C 13 58.227 0.300 . 1 . . . . 106 GLU CA . 10320 1 1147 . 1 1 106 106 GLU CB C 13 26.910 0.300 . 1 . . . . 106 GLU CB . 10320 1 1148 . 1 1 106 106 GLU CG C 13 36.618 0.300 . 1 . . . . 106 GLU CG . 10320 1 1149 . 1 1 106 106 GLU N N 15 105.328 0.300 . 1 . . . . 106 GLU N . 10320 1 1150 . 1 1 107 107 VAL H H 1 7.583 0.030 . 1 . . . . 107 VAL H . 10320 1 1151 . 1 1 107 107 VAL HA H 1 4.283 0.030 . 1 . . . . 107 VAL HA . 10320 1 1152 . 1 1 107 107 VAL HB H 1 2.102 0.030 . 1 . . . . 107 VAL HB . 10320 1 1153 . 1 1 107 107 VAL HG11 H 1 1.022 0.030 . 1 . . . . 107 VAL HG1 . 10320 1 1154 . 1 1 107 107 VAL HG12 H 1 1.022 0.030 . 1 . . . . 107 VAL HG1 . 10320 1 1155 . 1 1 107 107 VAL HG13 H 1 1.022 0.030 . 1 . . . . 107 VAL HG1 . 10320 1 1156 . 1 1 107 107 VAL HG21 H 1 0.957 0.030 . 1 . . . . 107 VAL HG2 . 10320 1 1157 . 1 1 107 107 VAL HG22 H 1 0.957 0.030 . 1 . . . . 107 VAL HG2 . 10320 1 1158 . 1 1 107 107 VAL HG23 H 1 0.957 0.030 . 1 . . . . 107 VAL HG2 . 10320 1 1159 . 1 1 107 107 VAL C C 13 175.950 0.300 . 1 . . . . 107 VAL C . 10320 1 1160 . 1 1 107 107 VAL CA C 13 61.069 0.300 . 1 . . . . 107 VAL CA . 10320 1 1161 . 1 1 107 107 VAL CB C 13 34.562 0.300 . 1 . . . . 107 VAL CB . 10320 1 1162 . 1 1 107 107 VAL CG1 C 13 20.794 0.300 . 2 . . . . 107 VAL CG1 . 10320 1 1163 . 1 1 107 107 VAL CG2 C 13 21.241 0.300 . 2 . . . . 107 VAL CG2 . 10320 1 1164 . 1 1 107 107 VAL N N 15 122.153 0.300 . 1 . . . . 107 VAL N . 10320 1 1165 . 1 1 108 108 HIS H H 1 8.548 0.030 . 1 . . . . 108 HIS H . 10320 1 1166 . 1 1 108 108 HIS HA H 1 4.481 0.030 . 1 . . . . 108 HIS HA . 10320 1 1167 . 1 1 108 108 HIS HB2 H 1 3.048 0.030 . 2 . . . . 108 HIS HB2 . 10320 1 1168 . 1 1 108 108 HIS HB3 H 1 2.882 0.030 . 2 . . . . 108 HIS HB3 . 10320 1 1169 . 1 1 108 108 HIS HD2 H 1 7.051 0.030 . 1 . . . . 108 HIS HD2 . 10320 1 1170 . 1 1 108 108 HIS HE1 H 1 7.954 0.030 . 1 . . . . 108 HIS HE1 . 10320 1 1171 . 1 1 108 108 HIS C C 13 177.381 0.300 . 1 . . . . 108 HIS C . 10320 1 1172 . 1 1 108 108 HIS CA C 13 58.952 0.300 . 1 . . . . 108 HIS CA . 10320 1 1173 . 1 1 108 108 HIS CB C 13 32.007 0.300 . 1 . . . . 108 HIS CB . 10320 1 1174 . 1 1 108 108 HIS CD2 C 13 117.340 0.300 . 1 . . . . 108 HIS CD2 . 10320 1 1175 . 1 1 108 108 HIS CE1 C 13 137.818 0.300 . 1 . . . . 108 HIS CE1 . 10320 1 1176 . 1 1 108 108 HIS N N 15 126.095 0.300 . 1 . . . . 108 HIS N . 10320 1 1177 . 1 1 109 109 ILE H H 1 8.232 0.030 . 1 . . . . 109 ILE H . 10320 1 1178 . 1 1 109 109 ILE HA H 1 4.418 0.030 . 1 . . . . 109 ILE HA . 10320 1 1179 . 1 1 109 109 ILE HB H 1 2.234 0.030 . 1 . . . . 109 ILE HB . 10320 1 1180 . 1 1 109 109 ILE HD11 H 1 0.871 0.030 . 1 . . . . 109 ILE HD1 . 10320 1 1181 . 1 1 109 109 ILE HD12 H 1 0.871 0.030 . 1 . . . . 109 ILE HD1 . 10320 1 1182 . 1 1 109 109 ILE HD13 H 1 0.871 0.030 . 1 . . . . 109 ILE HD1 . 10320 1 1183 . 1 1 109 109 ILE HG12 H 1 1.390 0.030 . 2 . . . . 109 ILE HG12 . 10320 1 1184 . 1 1 109 109 ILE HG13 H 1 1.505 0.030 . 2 . . . . 109 ILE HG13 . 10320 1 1185 . 1 1 109 109 ILE HG21 H 1 0.984 0.030 . 1 . . . . 109 ILE HG2 . 10320 1 1186 . 1 1 109 109 ILE HG22 H 1 0.984 0.030 . 1 . . . . 109 ILE HG2 . 10320 1 1187 . 1 1 109 109 ILE HG23 H 1 0.984 0.030 . 1 . . . . 109 ILE HG2 . 10320 1 1188 . 1 1 109 109 ILE C C 13 173.496 0.300 . 1 . . . . 109 ILE C . 10320 1 1189 . 1 1 109 109 ILE CA C 13 60.498 0.300 . 1 . . . . 109 ILE CA . 10320 1 1190 . 1 1 109 109 ILE CB C 13 35.680 0.300 . 1 . . . . 109 ILE CB . 10320 1 1191 . 1 1 109 109 ILE CD1 C 13 16.133 0.300 . 1 . . . . 109 ILE CD1 . 10320 1 1192 . 1 1 109 109 ILE CG1 C 13 24.807 0.300 . 1 . . . . 109 ILE CG1 . 10320 1 1193 . 1 1 109 109 ILE CG2 C 13 18.105 0.300 . 1 . . . . 109 ILE CG2 . 10320 1 1194 . 1 1 109 109 ILE N N 15 119.583 0.300 . 1 . . . . 109 ILE N . 10320 1 1195 . 1 1 110 110 PRO HA H 1 4.235 0.030 . 1 . . . . 110 PRO HA . 10320 1 1196 . 1 1 110 110 PRO HB2 H 1 2.300 0.030 . 2 . . . . 110 PRO HB2 . 10320 1 1197 . 1 1 110 110 PRO HB3 H 1 1.975 0.030 . 2 . . . . 110 PRO HB3 . 10320 1 1198 . 1 1 110 110 PRO HD2 H 1 3.690 0.030 . 2 . . . . 110 PRO HD2 . 10320 1 1199 . 1 1 110 110 PRO HD3 H 1 4.201 0.030 . 2 . . . . 110 PRO HD3 . 10320 1 1200 . 1 1 110 110 PRO HG2 H 1 2.324 0.030 . 2 . . . . 110 PRO HG2 . 10320 1 1201 . 1 1 110 110 PRO HG3 H 1 1.935 0.030 . 2 . . . . 110 PRO HG3 . 10320 1 1202 . 1 1 110 110 PRO CA C 13 65.285 0.300 . 1 . . . . 110 PRO CA . 10320 1 1203 . 1 1 110 110 PRO CB C 13 31.058 0.300 . 1 . . . . 110 PRO CB . 10320 1 1204 . 1 1 110 110 PRO CD C 13 50.870 0.300 . 1 . . . . 110 PRO CD . 10320 1 1205 . 1 1 110 110 PRO CG C 13 28.423 0.300 . 1 . . . . 110 PRO CG . 10320 1 1206 . 1 1 111 111 GLY H H 1 8.183 0.030 . 1 . . . . 111 GLY H . 10320 1 1207 . 1 1 111 111 GLY HA2 H 1 4.067 0.030 . 2 . . . . 111 GLY HA2 . 10320 1 1208 . 1 1 111 111 GLY HA3 H 1 3.062 0.030 . 2 . . . . 111 GLY HA3 . 10320 1 1209 . 1 1 111 111 GLY C C 13 171.942 0.300 . 1 . . . . 111 GLY C . 10320 1 1210 . 1 1 111 111 GLY CA C 13 44.519 0.300 . 1 . . . . 111 GLY CA . 10320 1 1211 . 1 1 111 111 GLY N N 15 114.006 0.300 . 1 . . . . 111 GLY N . 10320 1 1212 . 1 1 112 112 SER H H 1 7.610 0.030 . 1 . . . . 112 SER H . 10320 1 1213 . 1 1 112 112 SER HA H 1 4.260 0.030 . 1 . . . . 112 SER HA . 10320 1 1214 . 1 1 112 112 SER HB2 H 1 4.452 0.030 . 2 . . . . 112 SER HB2 . 10320 1 1215 . 1 1 112 112 SER HB3 H 1 3.710 0.030 . 2 . . . . 112 SER HB3 . 10320 1 1216 . 1 1 112 112 SER C C 13 174.827 0.300 . 1 . . . . 112 SER C . 10320 1 1217 . 1 1 112 112 SER CA C 13 54.990 0.300 . 1 . . . . 112 SER CA . 10320 1 1218 . 1 1 112 112 SER CB C 13 62.410 0.300 . 1 . . . . 112 SER CB . 10320 1 1219 . 1 1 112 112 SER N N 15 112.174 0.300 . 1 . . . . 112 SER N . 10320 1 1220 . 1 1 113 113 PRO HA H 1 5.425 0.030 . 1 . . . . 113 PRO HA . 10320 1 1221 . 1 1 113 113 PRO HB2 H 1 1.658 0.030 . 2 . . . . 113 PRO HB2 . 10320 1 1222 . 1 1 113 113 PRO HB3 H 1 2.399 0.030 . 2 . . . . 113 PRO HB3 . 10320 1 1223 . 1 1 113 113 PRO HD2 H 1 3.226 0.030 . 2 . . . . 113 PRO HD2 . 10320 1 1224 . 1 1 113 113 PRO HD3 H 1 2.557 0.030 . 2 . . . . 113 PRO HD3 . 10320 1 1225 . 1 1 113 113 PRO HG2 H 1 1.821 0.030 . 2 . . . . 113 PRO HG2 . 10320 1 1226 . 1 1 113 113 PRO HG3 H 1 1.718 0.030 . 2 . . . . 113 PRO HG3 . 10320 1 1227 . 1 1 113 113 PRO C C 13 176.495 0.300 . 1 . . . . 113 PRO C . 10320 1 1228 . 1 1 113 113 PRO CA C 13 62.263 0.300 . 1 . . . . 113 PRO CA . 10320 1 1229 . 1 1 113 113 PRO CB C 13 33.642 0.300 . 1 . . . . 113 PRO CB . 10320 1 1230 . 1 1 113 113 PRO CD C 13 50.058 0.300 . 1 . . . . 113 PRO CD . 10320 1 1231 . 1 1 113 113 PRO CG C 13 24.781 0.300 . 1 . . . . 113 PRO CG . 10320 1 1232 . 1 1 114 114 PHE H H 1 9.137 0.030 . 1 . . . . 114 PHE H . 10320 1 1233 . 1 1 114 114 PHE HA H 1 4.467 0.030 . 1 . . . . 114 PHE HA . 10320 1 1234 . 1 1 114 114 PHE HB2 H 1 2.751 0.030 . 2 . . . . 114 PHE HB2 . 10320 1 1235 . 1 1 114 114 PHE HB3 H 1 3.213 0.030 . 2 . . . . 114 PHE HB3 . 10320 1 1236 . 1 1 114 114 PHE HD1 H 1 7.232 0.030 . 1 . . . . 114 PHE HD1 . 10320 1 1237 . 1 1 114 114 PHE HD2 H 1 7.232 0.030 . 1 . . . . 114 PHE HD2 . 10320 1 1238 . 1 1 114 114 PHE HE1 H 1 7.123 0.030 . 1 . . . . 114 PHE HE1 . 10320 1 1239 . 1 1 114 114 PHE HE2 H 1 7.123 0.030 . 1 . . . . 114 PHE HE2 . 10320 1 1240 . 1 1 114 114 PHE HZ H 1 7.350 0.030 . 1 . . . . 114 PHE HZ . 10320 1 1241 . 1 1 114 114 PHE C C 13 174.732 0.300 . 1 . . . . 114 PHE C . 10320 1 1242 . 1 1 114 114 PHE CA C 13 57.435 0.300 . 1 . . . . 114 PHE CA . 10320 1 1243 . 1 1 114 114 PHE CB C 13 40.617 0.300 . 1 . . . . 114 PHE CB . 10320 1 1244 . 1 1 114 114 PHE CD1 C 13 132.753 0.300 . 1 . . . . 114 PHE CD1 . 10320 1 1245 . 1 1 114 114 PHE CD2 C 13 132.753 0.300 . 1 . . . . 114 PHE CD2 . 10320 1 1246 . 1 1 114 114 PHE CE1 C 13 130.646 0.300 . 1 . . . . 114 PHE CE1 . 10320 1 1247 . 1 1 114 114 PHE CE2 C 13 130.646 0.300 . 1 . . . . 114 PHE CE2 . 10320 1 1248 . 1 1 114 114 PHE CZ C 13 129.630 0.300 . 1 . . . . 114 PHE CZ . 10320 1 1249 . 1 1 114 114 PHE N N 15 124.913 0.300 . 1 . . . . 114 PHE N . 10320 1 1250 . 1 1 115 115 LYS H H 1 8.641 0.030 . 1 . . . . 115 LYS H . 10320 1 1251 . 1 1 115 115 LYS HA H 1 4.524 0.030 . 1 . . . . 115 LYS HA . 10320 1 1252 . 1 1 115 115 LYS HB2 H 1 1.507 0.030 . 2 . . . . 115 LYS HB2 . 10320 1 1253 . 1 1 115 115 LYS HB3 H 1 1.684 0.030 . 2 . . . . 115 LYS HB3 . 10320 1 1254 . 1 1 115 115 LYS HD2 H 1 1.499 0.030 . 1 . . . . 115 LYS HD2 . 10320 1 1255 . 1 1 115 115 LYS HD3 H 1 1.499 0.030 . 1 . . . . 115 LYS HD3 . 10320 1 1256 . 1 1 115 115 LYS HE2 H 1 2.843 0.030 . 1 . . . . 115 LYS HE2 . 10320 1 1257 . 1 1 115 115 LYS HE3 H 1 2.843 0.030 . 1 . . . . 115 LYS HE3 . 10320 1 1258 . 1 1 115 115 LYS HG2 H 1 0.664 0.030 . 1 . . . . 115 LYS HG2 . 10320 1 1259 . 1 1 115 115 LYS HG3 H 1 0.664 0.030 . 1 . . . . 115 LYS HG3 . 10320 1 1260 . 1 1 115 115 LYS C C 13 173.713 0.300 . 1 . . . . 115 LYS C . 10320 1 1261 . 1 1 115 115 LYS CA C 13 55.381 0.300 . 1 . . . . 115 LYS CA . 10320 1 1262 . 1 1 115 115 LYS CB C 13 32.728 0.300 . 1 . . . . 115 LYS CB . 10320 1 1263 . 1 1 115 115 LYS CD C 13 28.835 0.300 . 1 . . . . 115 LYS CD . 10320 1 1264 . 1 1 115 115 LYS CE C 13 41.555 0.300 . 1 . . . . 115 LYS CE . 10320 1 1265 . 1 1 115 115 LYS CG C 13 24.081 0.300 . 1 . . . . 115 LYS CG . 10320 1 1266 . 1 1 115 115 LYS N N 15 124.795 0.300 . 1 . . . . 115 LYS N . 10320 1 1267 . 1 1 116 116 ALA H H 1 9.264 0.030 . 1 . . . . 116 ALA H . 10320 1 1268 . 1 1 116 116 ALA HA H 1 4.367 0.030 . 1 . . . . 116 ALA HA . 10320 1 1269 . 1 1 116 116 ALA HB1 H 1 0.917 0.030 . 1 . . . . 116 ALA HB . 10320 1 1270 . 1 1 116 116 ALA HB2 H 1 0.917 0.030 . 1 . . . . 116 ALA HB . 10320 1 1271 . 1 1 116 116 ALA HB3 H 1 0.917 0.030 . 1 . . . . 116 ALA HB . 10320 1 1272 . 1 1 116 116 ALA C C 13 175.724 0.300 . 1 . . . . 116 ALA C . 10320 1 1273 . 1 1 116 116 ALA CA C 13 49.925 0.300 . 1 . . . . 116 ALA CA . 10320 1 1274 . 1 1 116 116 ALA CB C 13 21.188 0.300 . 1 . . . . 116 ALA CB . 10320 1 1275 . 1 1 116 116 ALA N N 15 131.622 0.300 . 1 . . . . 116 ALA N . 10320 1 1276 . 1 1 117 117 ASP H H 1 7.492 0.030 . 1 . . . . 117 ASP H . 10320 1 1277 . 1 1 117 117 ASP HA H 1 5.018 0.030 . 1 . . . . 117 ASP HA . 10320 1 1278 . 1 1 117 117 ASP HB2 H 1 2.577 0.030 . 1 . . . . 117 ASP HB2 . 10320 1 1279 . 1 1 117 117 ASP HB3 H 1 2.577 0.030 . 1 . . . . 117 ASP HB3 . 10320 1 1280 . 1 1 117 117 ASP C C 13 174.663 0.300 . 1 . . . . 117 ASP C . 10320 1 1281 . 1 1 117 117 ASP CA C 13 53.789 0.300 . 1 . . . . 117 ASP CA . 10320 1 1282 . 1 1 117 117 ASP CB C 13 42.024 0.300 . 1 . . . . 117 ASP CB . 10320 1 1283 . 1 1 117 117 ASP N N 15 121.878 0.300 . 1 . . . . 117 ASP N . 10320 1 1284 . 1 1 118 118 ILE H H 1 9.094 0.030 . 1 . . . . 118 ILE H . 10320 1 1285 . 1 1 118 118 ILE HA H 1 4.531 0.030 . 1 . . . . 118 ILE HA . 10320 1 1286 . 1 1 118 118 ILE HB H 1 2.428 0.030 . 1 . . . . 118 ILE HB . 10320 1 1287 . 1 1 118 118 ILE HD11 H 1 0.337 0.030 . 1 . . . . 118 ILE HD1 . 10320 1 1288 . 1 1 118 118 ILE HD12 H 1 0.337 0.030 . 1 . . . . 118 ILE HD1 . 10320 1 1289 . 1 1 118 118 ILE HD13 H 1 0.337 0.030 . 1 . . . . 118 ILE HD1 . 10320 1 1290 . 1 1 118 118 ILE HG12 H 1 1.469 0.030 . 2 . . . . 118 ILE HG12 . 10320 1 1291 . 1 1 118 118 ILE HG13 H 1 0.616 0.030 . 2 . . . . 118 ILE HG13 . 10320 1 1292 . 1 1 118 118 ILE HG21 H 1 0.550 0.030 . 1 . . . . 118 ILE HG2 . 10320 1 1293 . 1 1 118 118 ILE HG22 H 1 0.550 0.030 . 1 . . . . 118 ILE HG2 . 10320 1 1294 . 1 1 118 118 ILE HG23 H 1 0.550 0.030 . 1 . . . . 118 ILE HG2 . 10320 1 1295 . 1 1 118 118 ILE C C 13 176.928 0.300 . 1 . . . . 118 ILE C . 10320 1 1296 . 1 1 118 118 ILE CA C 13 57.683 0.300 . 1 . . . . 118 ILE CA . 10320 1 1297 . 1 1 118 118 ILE CB C 13 34.956 0.300 . 1 . . . . 118 ILE CB . 10320 1 1298 . 1 1 118 118 ILE CD1 C 13 7.346 0.300 . 1 . . . . 118 ILE CD1 . 10320 1 1299 . 1 1 118 118 ILE CG1 C 13 27.292 0.300 . 1 . . . . 118 ILE CG1 . 10320 1 1300 . 1 1 118 118 ILE CG2 C 13 17.509 0.300 . 1 . . . . 118 ILE CG2 . 10320 1 1301 . 1 1 118 118 ILE N N 15 126.881 0.300 . 1 . . . . 118 ILE N . 10320 1 1302 . 1 1 119 119 GLU H H 1 8.493 0.030 . 1 . . . . 119 GLU H . 10320 1 1303 . 1 1 119 119 GLU HA H 1 4.775 0.030 . 1 . . . . 119 GLU HA . 10320 1 1304 . 1 1 119 119 GLU HB2 H 1 1.860 0.030 . 2 . . . . 119 GLU HB2 . 10320 1 1305 . 1 1 119 119 GLU HB3 H 1 2.132 0.030 . 2 . . . . 119 GLU HB3 . 10320 1 1306 . 1 1 119 119 GLU HG2 H 1 2.239 0.030 . 1 . . . . 119 GLU HG2 . 10320 1 1307 . 1 1 119 119 GLU HG3 H 1 2.239 0.030 . 1 . . . . 119 GLU HG3 . 10320 1 1308 . 1 1 119 119 GLU C C 13 176.003 0.300 . 1 . . . . 119 GLU C . 10320 1 1309 . 1 1 119 119 GLU CA C 13 54.558 0.300 . 1 . . . . 119 GLU CA . 10320 1 1310 . 1 1 119 119 GLU CB C 13 33.321 0.300 . 1 . . . . 119 GLU CB . 10320 1 1311 . 1 1 119 119 GLU CG C 13 36.257 0.300 . 1 . . . . 119 GLU CG . 10320 1 1312 . 1 1 119 119 GLU N N 15 128.168 0.300 . 1 . . . . 119 GLU N . 10320 1 1313 . 1 1 120 120 MET H H 1 8.950 0.030 . 1 . . . . 120 MET H . 10320 1 1314 . 1 1 120 120 MET HA H 1 4.747 0.030 . 1 . . . . 120 MET HA . 10320 1 1315 . 1 1 120 120 MET HB2 H 1 1.870 0.030 . 2 . . . . 120 MET HB2 . 10320 1 1316 . 1 1 120 120 MET HB3 H 1 2.111 0.030 . 2 . . . . 120 MET HB3 . 10320 1 1317 . 1 1 120 120 MET HE1 H 1 2.131 0.030 . 1 . . . . 120 MET HE . 10320 1 1318 . 1 1 120 120 MET HE2 H 1 2.131 0.030 . 1 . . . . 120 MET HE . 10320 1 1319 . 1 1 120 120 MET HE3 H 1 2.131 0.030 . 1 . . . . 120 MET HE . 10320 1 1320 . 1 1 120 120 MET HG2 H 1 2.689 0.030 . 2 . . . . 120 MET HG2 . 10320 1 1321 . 1 1 120 120 MET HG3 H 1 2.522 0.030 . 2 . . . . 120 MET HG3 . 10320 1 1322 . 1 1 120 120 MET C C 13 174.679 0.300 . 1 . . . . 120 MET C . 10320 1 1323 . 1 1 120 120 MET CA C 13 52.907 0.300 . 1 . . . . 120 MET CA . 10320 1 1324 . 1 1 120 120 MET CB C 13 32.293 0.300 . 1 . . . . 120 MET CB . 10320 1 1325 . 1 1 120 120 MET CE C 13 16.881 0.300 . 1 . . . . 120 MET CE . 10320 1 1326 . 1 1 120 120 MET CG C 13 32.225 0.300 . 1 . . . . 120 MET CG . 10320 1 1327 . 1 1 120 120 MET N N 15 120.556 0.300 . 1 . . . . 120 MET N . 10320 1 1328 . 1 1 121 121 PRO HA H 1 4.423 0.030 . 1 . . . . 121 PRO HA . 10320 1 1329 . 1 1 121 121 PRO HB2 H 1 1.920 0.030 . 2 . . . . 121 PRO HB2 . 10320 1 1330 . 1 1 121 121 PRO HB3 H 1 2.246 0.030 . 2 . . . . 121 PRO HB3 . 10320 1 1331 . 1 1 121 121 PRO HD2 H 1 3.568 0.030 . 2 . . . . 121 PRO HD2 . 10320 1 1332 . 1 1 121 121 PRO HD3 H 1 3.783 0.030 . 2 . . . . 121 PRO HD3 . 10320 1 1333 . 1 1 121 121 PRO C C 13 175.900 0.300 . 1 . . . . 121 PRO C . 10320 1 1334 . 1 1 121 121 PRO CA C 13 62.887 0.300 . 1 . . . . 121 PRO CA . 10320 1 1335 . 1 1 121 121 PRO CB C 13 32.056 0.300 . 1 . . . . 121 PRO CB . 10320 1 1336 . 1 1 121 121 PRO CD C 13 50.623 0.300 . 1 . . . . 121 PRO CD . 10320 1 1337 . 1 1 121 121 PRO CG C 13 27.378 0.300 . 1 . . . . 121 PRO CG . 10320 1 1338 . 1 1 122 122 PHE H H 1 8.353 0.030 . 1 . . . . 122 PHE H . 10320 1 1339 . 1 1 122 122 PHE HA H 1 4.480 0.030 . 1 . . . . 122 PHE HA . 10320 1 1340 . 1 1 122 122 PHE HB2 H 1 2.911 0.030 . 2 . . . . 122 PHE HB2 . 10320 1 1341 . 1 1 122 122 PHE HB3 H 1 3.102 0.030 . 2 . . . . 122 PHE HB3 . 10320 1 1342 . 1 1 122 122 PHE HD1 H 1 7.188 0.030 . 1 . . . . 122 PHE HD1 . 10320 1 1343 . 1 1 122 122 PHE HD2 H 1 7.188 0.030 . 1 . . . . 122 PHE HD2 . 10320 1 1344 . 1 1 122 122 PHE HE1 H 1 7.308 0.030 . 1 . . . . 122 PHE HE1 . 10320 1 1345 . 1 1 122 122 PHE HE2 H 1 7.308 0.030 . 1 . . . . 122 PHE HE2 . 10320 1 1346 . 1 1 122 122 PHE HZ H 1 7.276 0.030 . 1 . . . . 122 PHE HZ . 10320 1 1347 . 1 1 122 122 PHE C C 13 174.622 0.300 . 1 . . . . 122 PHE C . 10320 1 1348 . 1 1 122 122 PHE CA C 13 57.702 0.300 . 1 . . . . 122 PHE CA . 10320 1 1349 . 1 1 122 122 PHE CB C 13 39.785 0.300 . 1 . . . . 122 PHE CB . 10320 1 1350 . 1 1 122 122 PHE CD1 C 13 131.884 0.300 . 1 . . . . 122 PHE CD1 . 10320 1 1351 . 1 1 122 122 PHE CD2 C 13 131.884 0.300 . 1 . . . . 122 PHE CD2 . 10320 1 1352 . 1 1 122 122 PHE CE1 C 13 131.358 0.300 . 1 . . . . 122 PHE CE1 . 10320 1 1353 . 1 1 122 122 PHE CE2 C 13 131.358 0.300 . 1 . . . . 122 PHE CE2 . 10320 1 1354 . 1 1 122 122 PHE CZ C 13 129.873 0.300 . 1 . . . . 122 PHE CZ . 10320 1 1355 . 1 1 122 122 PHE N N 15 121.636 0.300 . 1 . . . . 122 PHE N . 10320 1 1356 . 1 1 123 123 ASP H H 1 8.244 0.030 . 1 . . . . 123 ASP H . 10320 1 1357 . 1 1 123 123 ASP HA H 1 4.812 0.030 . 1 . . . . 123 ASP HA . 10320 1 1358 . 1 1 123 123 ASP HB2 H 1 2.433 0.030 . 2 . . . . 123 ASP HB2 . 10320 1 1359 . 1 1 123 123 ASP HB3 H 1 2.695 0.030 . 2 . . . . 123 ASP HB3 . 10320 1 1360 . 1 1 123 123 ASP C C 13 174.496 0.300 . 1 . . . . 123 ASP C . 10320 1 1361 . 1 1 123 123 ASP CA C 13 50.911 0.300 . 1 . . . . 123 ASP CA . 10320 1 1362 . 1 1 123 123 ASP CB C 13 41.658 0.300 . 1 . . . . 123 ASP CB . 10320 1 1363 . 1 1 123 123 ASP N N 15 125.507 0.300 . 1 . . . . 123 ASP N . 10320 1 1364 . 1 1 124 124 PRO HA H 1 4.441 0.030 . 1 . . . . 124 PRO HA . 10320 1 1365 . 1 1 124 124 PRO HB2 H 1 2.238 0.030 . 2 . . . . 124 PRO HB2 . 10320 1 1366 . 1 1 124 124 PRO HB3 H 1 1.930 0.030 . 2 . . . . 124 PRO HB3 . 10320 1 1367 . 1 1 124 124 PRO HD2 H 1 3.576 0.030 . 1 . . . . 124 PRO HD2 . 10320 1 1368 . 1 1 124 124 PRO HD3 H 1 3.576 0.030 . 1 . . . . 124 PRO HD3 . 10320 1 1369 . 1 1 124 124 PRO HG2 H 1 1.970 0.030 . 1 . . . . 124 PRO HG2 . 10320 1 1370 . 1 1 124 124 PRO HG3 H 1 1.970 0.030 . 1 . . . . 124 PRO HG3 . 10320 1 1371 . 1 1 124 124 PRO C C 13 177.437 0.300 . 1 . . . . 124 PRO C . 10320 1 1372 . 1 1 124 124 PRO CA C 13 63.234 0.300 . 1 . . . . 124 PRO CA . 10320 1 1373 . 1 1 124 124 PRO CB C 13 32.159 0.300 . 1 . . . . 124 PRO CB . 10320 1 1374 . 1 1 124 124 PRO CD C 13 49.749 0.300 . 1 . . . . 124 PRO CD . 10320 1 1375 . 1 1 124 124 PRO CG C 13 26.920 0.300 . 1 . . . . 124 PRO CG . 10320 1 1376 . 1 1 125 125 SER H H 1 8.520 0.030 . 1 . . . . 125 SER H . 10320 1 1377 . 1 1 125 125 SER CA C 13 58.289 0.300 . 1 . . . . 125 SER CA . 10320 1 1378 . 1 1 125 125 SER CB C 13 63.894 0.300 . 1 . . . . 125 SER CB . 10320 1 1379 . 1 1 125 125 SER N N 15 116.520 0.300 . 1 . . . . 125 SER N . 10320 1 1380 . 1 1 128 128 PRO HA H 1 4.302 0.030 . 1 . . . . 128 PRO HA . 10320 1 1381 . 1 1 128 128 PRO HB2 H 1 2.004 0.030 . 2 . . . . 128 PRO HB2 . 10320 1 1382 . 1 1 128 128 PRO HB3 H 1 2.265 0.030 . 2 . . . . 128 PRO HB3 . 10320 1 1383 . 1 1 128 128 PRO HD2 H 1 3.584 0.030 . 2 . . . . 128 PRO HD2 . 10320 1 1384 . 1 1 128 128 PRO HD3 H 1 3.759 0.030 . 2 . . . . 128 PRO HD3 . 10320 1 1385 . 1 1 128 128 PRO HG2 H 1 1.954 0.030 . 1 . . . . 128 PRO HG2 . 10320 1 1386 . 1 1 128 128 PRO HG3 H 1 1.954 0.030 . 1 . . . . 128 PRO HG3 . 10320 1 1387 . 1 1 128 128 PRO C C 13 177.385 0.300 . 1 . . . . 128 PRO C . 10320 1 1388 . 1 1 128 128 PRO CA C 13 63.593 0.300 . 1 . . . . 128 PRO CA . 10320 1 1389 . 1 1 128 128 PRO CB C 13 32.070 0.300 . 1 . . . . 128 PRO CB . 10320 1 1390 . 1 1 128 128 PRO CD C 13 50.803 0.300 . 1 . . . . 128 PRO CD . 10320 1 1391 . 1 1 128 128 PRO CG C 13 26.883 0.300 . 1 . . . . 128 PRO CG . 10320 1 1392 . 1 1 129 129 SER H H 1 8.359 0.030 . 1 . . . . 129 SER H . 10320 1 1393 . 1 1 129 129 SER HA H 1 4.336 0.030 . 1 . . . . 129 SER HA . 10320 1 1394 . 1 1 129 129 SER HB2 H 1 3.799 0.030 . 2 . . . . 129 SER HB2 . 10320 1 1395 . 1 1 129 129 SER HB3 H 1 3.854 0.030 . 2 . . . . 129 SER HB3 . 10320 1 1396 . 1 1 129 129 SER C C 13 174.747 0.300 . 1 . . . . 129 SER C . 10320 1 1397 . 1 1 129 129 SER CA C 13 59.248 0.300 . 1 . . . . 129 SER CA . 10320 1 1398 . 1 1 129 129 SER CB C 13 63.646 0.300 . 1 . . . . 129 SER CB . 10320 1 1399 . 1 1 129 129 SER N N 15 115.443 0.300 . 1 . . . . 129 SER N . 10320 1 1400 . 1 1 130 130 SER HA H 1 4.475 0.030 . 1 . . . . 130 SER HA . 10320 1 1401 . 1 1 130 130 SER HB2 H 1 3.877 0.030 . 1 . . . . 130 SER HB2 . 10320 1 1402 . 1 1 130 130 SER HB3 H 1 3.877 0.030 . 1 . . . . 130 SER HB3 . 10320 1 1403 . 1 1 130 130 SER C C 13 173.965 0.300 . 1 . . . . 130 SER C . 10320 1 1404 . 1 1 130 130 SER CA C 13 58.371 0.300 . 1 . . . . 130 SER CA . 10320 1 1405 . 1 1 130 130 SER CB C 13 63.966 0.300 . 1 . . . . 130 SER CB . 10320 1 1406 . 1 1 131 131 GLY H H 1 8.037 0.030 . 1 . . . . 131 GLY H . 10320 1 1407 . 1 1 131 131 GLY C C 13 179.018 0.300 . 1 . . . . 131 GLY C . 10320 1 1408 . 1 1 131 131 GLY CA C 13 46.206 0.300 . 1 . . . . 131 GLY CA . 10320 1 1409 . 1 1 131 131 GLY N N 15 116.885 0.300 . 1 . . . . 131 GLY N . 10320 1 stop_ save_