data_10161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10161 _Entry.Title ; Solution structure of the 22th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-28 _Entry.Accession_date 2008-01-06 _Entry.Last_release_date 2009-02-20 _Entry.Original_release_date 2009-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 . . . 10161 2 S. Koshiba . . . 10161 3 S. Watanabe . . . 10161 4 T. Harada . . . 10161 5 T. Kigawa . . . 10161 6 S. Yokoyama . . . 10161 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' 10161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 10161 '15N chemical shifts' 99 10161 '1H chemical shifts' 673 10161 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 . . 2009-02-20 2007-12-28 original author . 10161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EEB 'BMRB Entry Tracking System' 10161 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10161 _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 22th 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 . . . 10161 1 2 S. Koshiba . . . 10161 1 3 S. Watanabe . . . 10161 1 4 T. Harada . . . 10161 1 5 T. Kigawa . . . 10161 1 6 S. Yokoyama . . . 10161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10161 _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-B 1 $entity_1 . . yes native no no . . . 10161 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 2EEB . . . . . . 10161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain, Filamin 22' _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 ; GSSGSSGSDDARRLTVMSLQ ESGLKVNQPASFAIRLNGAK GKIDAKVHSPSGAVEECHVS ELEPDKYAVRFIPHENGVHT IDVKFNGSHVVGSPFKVRVG EPGQAG ; _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 106 _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 2EEB . "Solution Structure Of The 22th Filamin Domain From Human Filamin-B" . . . . . 100.00 106 100.00 100.00 2.18e-69 . . . . 10161 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain, Filamin 22' . 10161 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 . 10161 1 2 . SER . 10161 1 3 . SER . 10161 1 4 . GLY . 10161 1 5 . SER . 10161 1 6 . SER . 10161 1 7 . GLY . 10161 1 8 . SER . 10161 1 9 . ASP . 10161 1 10 . ASP . 10161 1 11 . ALA . 10161 1 12 . ARG . 10161 1 13 . ARG . 10161 1 14 . LEU . 10161 1 15 . THR . 10161 1 16 . VAL . 10161 1 17 . MET . 10161 1 18 . SER . 10161 1 19 . LEU . 10161 1 20 . GLN . 10161 1 21 . GLU . 10161 1 22 . SER . 10161 1 23 . GLY . 10161 1 24 . LEU . 10161 1 25 . LYS . 10161 1 26 . VAL . 10161 1 27 . ASN . 10161 1 28 . GLN . 10161 1 29 . PRO . 10161 1 30 . ALA . 10161 1 31 . SER . 10161 1 32 . PHE . 10161 1 33 . ALA . 10161 1 34 . ILE . 10161 1 35 . ARG . 10161 1 36 . LEU . 10161 1 37 . ASN . 10161 1 38 . GLY . 10161 1 39 . ALA . 10161 1 40 . LYS . 10161 1 41 . GLY . 10161 1 42 . LYS . 10161 1 43 . ILE . 10161 1 44 . ASP . 10161 1 45 . ALA . 10161 1 46 . LYS . 10161 1 47 . VAL . 10161 1 48 . HIS . 10161 1 49 . SER . 10161 1 50 . PRO . 10161 1 51 . SER . 10161 1 52 . GLY . 10161 1 53 . ALA . 10161 1 54 . VAL . 10161 1 55 . GLU . 10161 1 56 . GLU . 10161 1 57 . CYS . 10161 1 58 . HIS . 10161 1 59 . VAL . 10161 1 60 . SER . 10161 1 61 . GLU . 10161 1 62 . LEU . 10161 1 63 . GLU . 10161 1 64 . PRO . 10161 1 65 . ASP . 10161 1 66 . LYS . 10161 1 67 . TYR . 10161 1 68 . ALA . 10161 1 69 . VAL . 10161 1 70 . ARG . 10161 1 71 . PHE . 10161 1 72 . ILE . 10161 1 73 . PRO . 10161 1 74 . HIS . 10161 1 75 . GLU . 10161 1 76 . ASN . 10161 1 77 . GLY . 10161 1 78 . VAL . 10161 1 79 . HIS . 10161 1 80 . THR . 10161 1 81 . ILE . 10161 1 82 . ASP . 10161 1 83 . VAL . 10161 1 84 . LYS . 10161 1 85 . PHE . 10161 1 86 . ASN . 10161 1 87 . GLY . 10161 1 88 . SER . 10161 1 89 . HIS . 10161 1 90 . VAL . 10161 1 91 . VAL . 10161 1 92 . GLY . 10161 1 93 . SER . 10161 1 94 . PRO . 10161 1 95 . PHE . 10161 1 96 . LYS . 10161 1 97 . VAL . 10161 1 98 . ARG . 10161 1 99 . VAL . 10161 1 100 . GLY . 10161 1 101 . GLU . 10161 1 102 . PRO . 10161 1 103 . GLY . 10161 1 104 . GLN . 10161 1 105 . ALA . 10161 1 106 . GLY . 10161 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 10161 1 . SER 2 2 10161 1 . SER 3 3 10161 1 . GLY 4 4 10161 1 . SER 5 5 10161 1 . SER 6 6 10161 1 . GLY 7 7 10161 1 . SER 8 8 10161 1 . ASP 9 9 10161 1 . ASP 10 10 10161 1 . ALA 11 11 10161 1 . ARG 12 12 10161 1 . ARG 13 13 10161 1 . LEU 14 14 10161 1 . THR 15 15 10161 1 . VAL 16 16 10161 1 . MET 17 17 10161 1 . SER 18 18 10161 1 . LEU 19 19 10161 1 . GLN 20 20 10161 1 . GLU 21 21 10161 1 . SER 22 22 10161 1 . GLY 23 23 10161 1 . LEU 24 24 10161 1 . LYS 25 25 10161 1 . VAL 26 26 10161 1 . ASN 27 27 10161 1 . GLN 28 28 10161 1 . PRO 29 29 10161 1 . ALA 30 30 10161 1 . SER 31 31 10161 1 . PHE 32 32 10161 1 . ALA 33 33 10161 1 . ILE 34 34 10161 1 . ARG 35 35 10161 1 . LEU 36 36 10161 1 . ASN 37 37 10161 1 . GLY 38 38 10161 1 . ALA 39 39 10161 1 . LYS 40 40 10161 1 . GLY 41 41 10161 1 . LYS 42 42 10161 1 . ILE 43 43 10161 1 . ASP 44 44 10161 1 . ALA 45 45 10161 1 . LYS 46 46 10161 1 . VAL 47 47 10161 1 . HIS 48 48 10161 1 . SER 49 49 10161 1 . PRO 50 50 10161 1 . SER 51 51 10161 1 . GLY 52 52 10161 1 . ALA 53 53 10161 1 . VAL 54 54 10161 1 . GLU 55 55 10161 1 . GLU 56 56 10161 1 . CYS 57 57 10161 1 . HIS 58 58 10161 1 . VAL 59 59 10161 1 . SER 60 60 10161 1 . GLU 61 61 10161 1 . LEU 62 62 10161 1 . GLU 63 63 10161 1 . PRO 64 64 10161 1 . ASP 65 65 10161 1 . LYS 66 66 10161 1 . TYR 67 67 10161 1 . ALA 68 68 10161 1 . VAL 69 69 10161 1 . ARG 70 70 10161 1 . PHE 71 71 10161 1 . ILE 72 72 10161 1 . PRO 73 73 10161 1 . HIS 74 74 10161 1 . GLU 75 75 10161 1 . ASN 76 76 10161 1 . GLY 77 77 10161 1 . VAL 78 78 10161 1 . HIS 79 79 10161 1 . THR 80 80 10161 1 . ILE 81 81 10161 1 . ASP 82 82 10161 1 . VAL 83 83 10161 1 . LYS 84 84 10161 1 . PHE 85 85 10161 1 . ASN 86 86 10161 1 . GLY 87 87 10161 1 . SER 88 88 10161 1 . HIS 89 89 10161 1 . VAL 90 90 10161 1 . VAL 91 91 10161 1 . GLY 92 92 10161 1 . SER 93 93 10161 1 . PRO 94 94 10161 1 . PHE 95 95 10161 1 . LYS 96 96 10161 1 . VAL 97 97 10161 1 . ARG 98 98 10161 1 . VAL 99 99 10161 1 . GLY 100 100 10161 1 . GLU 101 101 10161 1 . PRO 102 102 10161 1 . GLY 103 103 10161 1 . GLN 104 104 10161 1 . ALA 105 105 10161 1 . GLY 106 106 10161 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 10161 _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 . . . . . . . . . . . . . . . . . . . . . 10161 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 10161 _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 . . P060619-17 . . . . . . 10161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10161 _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 1.20 . . mM . . . . 10161 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10161 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10161 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10161 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10161 1 6 D2O . . . . . . solvent 10 . . % . . . . 10161 1 7 H2O . . . . . . solvent 90 . . % . . . . 10161 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 10161 _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 10161 1 pH 7.0 0.05 pH 10161 1 pressure 1 0.001 atm 10161 1 temperature 296 0.1 K 10161 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10161 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10161 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10161 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10161 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10161 _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.' . . 10161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10161 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10161 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10161 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10161 _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.' . . 10161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10161 5 'structure solution' 10161 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 10161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'AVANCE II' . 900 . . . 10161 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 10161 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10161 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10161 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 10161 _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 . . . . . . . . . 10161 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10161 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10161 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 10161 _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 10161 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10161 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 8 8 SER CA C 13 59.066 0.300 . 1 . . . . 8 SER CA . 10161 1 2 . 1 1 8 8 SER HA H 1 4.444 0.030 . 1 . . . . 8 SER HA . 10161 1 3 . 1 1 8 8 SER CB C 13 63.749 0.300 . 1 . . . . 8 SER CB . 10161 1 4 . 1 1 8 8 SER HB3 H 1 3.920 0.030 . 1 . . . . 8 SER HB3 . 10161 1 5 . 1 1 8 8 SER C C 13 174.832 0.300 . 1 . . . . 8 SER C . 10161 1 6 . 1 1 8 8 SER HB2 H 1 3.920 0.030 . 1 . . . . 8 SER HB2 . 10161 1 7 . 1 1 9 9 ASP N N 15 122.244 0.300 . 1 . . . . 9 ASP N . 10161 1 8 . 1 1 9 9 ASP H H 1 8.460 0.030 . 1 . . . . 9 ASP H . 10161 1 9 . 1 1 9 9 ASP CA C 13 54.943 0.300 . 1 . . . . 9 ASP CA . 10161 1 10 . 1 1 9 9 ASP HA H 1 4.730 0.030 . 1 . . . . 9 ASP HA . 10161 1 11 . 1 1 9 9 ASP CB C 13 41.125 0.300 . 1 . . . . 9 ASP CB . 10161 1 12 . 1 1 9 9 ASP HB3 H 1 2.788 0.030 . 2 . . . . 9 ASP HB3 . 10161 1 13 . 1 1 9 9 ASP C C 13 176.845 0.300 . 1 . . . . 9 ASP C . 10161 1 14 . 1 1 9 9 ASP HB2 H 1 2.749 0.030 . 2 . . . . 9 ASP HB2 . 10161 1 15 . 1 1 10 10 ASP N N 15 120.929 0.300 . 1 . . . . 10 ASP N . 10161 1 16 . 1 1 10 10 ASP H H 1 8.121 0.030 . 1 . . . . 10 ASP H . 10161 1 17 . 1 1 10 10 ASP CA C 13 55.841 0.300 . 1 . . . . 10 ASP CA . 10161 1 18 . 1 1 10 10 ASP HA H 1 4.523 0.030 . 1 . . . . 10 ASP HA . 10161 1 19 . 1 1 10 10 ASP CB C 13 41.834 0.300 . 1 . . . . 10 ASP CB . 10161 1 20 . 1 1 10 10 ASP HB3 H 1 2.797 0.030 . 2 . . . . 10 ASP HB3 . 10161 1 21 . 1 1 10 10 ASP C C 13 177.047 0.300 . 1 . . . . 10 ASP C . 10161 1 22 . 1 1 10 10 ASP HB2 H 1 2.745 0.030 . 2 . . . . 10 ASP HB2 . 10161 1 23 . 1 1 11 11 ALA N N 15 122.815 0.300 . 1 . . . . 11 ALA N . 10161 1 24 . 1 1 11 11 ALA H H 1 8.520 0.030 . 1 . . . . 11 ALA H . 10161 1 25 . 1 1 11 11 ALA CA C 13 54.828 0.300 . 1 . . . . 11 ALA CA . 10161 1 26 . 1 1 11 11 ALA HA H 1 4.004 0.030 . 1 . . . . 11 ALA HA . 10161 1 27 . 1 1 11 11 ALA CB C 13 19.454 0.300 . 1 . . . . 11 ALA CB . 10161 1 28 . 1 1 11 11 ALA HB1 H 1 1.598 0.030 . 1 . . . . 11 ALA HB . 10161 1 29 . 1 1 11 11 ALA HB2 H 1 1.598 0.030 . 1 . . . . 11 ALA HB . 10161 1 30 . 1 1 11 11 ALA HB3 H 1 1.598 0.030 . 1 . . . . 11 ALA HB . 10161 1 31 . 1 1 11 11 ALA C C 13 179.280 0.300 . 1 . . . . 11 ALA C . 10161 1 32 . 1 1 12 12 ARG N N 15 115.782 0.300 . 1 . . . . 12 ARG N . 10161 1 33 . 1 1 12 12 ARG H H 1 8.159 0.030 . 1 . . . . 12 ARG H . 10161 1 34 . 1 1 12 12 ARG CA C 13 57.578 0.300 . 1 . . . . 12 ARG CA . 10161 1 35 . 1 1 12 12 ARG HA H 1 4.310 0.030 . 1 . . . . 12 ARG HA . 10161 1 36 . 1 1 12 12 ARG CB C 13 29.817 0.300 . 1 . . . . 12 ARG CB . 10161 1 37 . 1 1 12 12 ARG HB3 H 1 1.974 0.030 . 2 . . . . 12 ARG HB3 . 10161 1 38 . 1 1 12 12 ARG CG C 13 27.679 0.300 . 1 . . . . 12 ARG CG . 10161 1 39 . 1 1 12 12 ARG HG3 H 1 1.708 0.030 . 2 . . . . 12 ARG HG3 . 10161 1 40 . 1 1 12 12 ARG CD C 13 43.343 0.300 . 1 . . . . 12 ARG CD . 10161 1 41 . 1 1 12 12 ARG HD3 H 1 3.242 0.030 . 1 . . . . 12 ARG HD3 . 10161 1 42 . 1 1 12 12 ARG C C 13 176.412 0.300 . 1 . . . . 12 ARG C . 10161 1 43 . 1 1 12 12 ARG HB2 H 1 1.904 0.030 . 2 . . . . 12 ARG HB2 . 10161 1 44 . 1 1 12 12 ARG HD2 H 1 3.242 0.030 . 1 . . . . 12 ARG HD2 . 10161 1 45 . 1 1 12 12 ARG HG2 H 1 1.769 0.030 . 2 . . . . 12 ARG HG2 . 10161 1 46 . 1 1 13 13 ARG N N 15 117.438 0.300 . 1 . . . . 13 ARG N . 10161 1 47 . 1 1 13 13 ARG H H 1 7.858 0.030 . 1 . . . . 13 ARG H . 10161 1 48 . 1 1 13 13 ARG CA C 13 56.855 0.300 . 1 . . . . 13 ARG CA . 10161 1 49 . 1 1 13 13 ARG HA H 1 4.183 0.030 . 1 . . . . 13 ARG HA . 10161 1 50 . 1 1 13 13 ARG CB C 13 30.976 0.300 . 1 . . . . 13 ARG CB . 10161 1 51 . 1 1 13 13 ARG HB3 H 1 1.980 0.030 . 2 . . . . 13 ARG HB3 . 10161 1 52 . 1 1 13 13 ARG CG C 13 27.538 0.300 . 1 . . . . 13 ARG CG . 10161 1 53 . 1 1 13 13 ARG HG3 H 1 1.806 0.030 . 2 . . . . 13 ARG HG3 . 10161 1 54 . 1 1 13 13 ARG CD C 13 43.859 0.300 . 1 . . . . 13 ARG CD . 10161 1 55 . 1 1 13 13 ARG HD3 H 1 3.287 0.030 . 2 . . . . 13 ARG HD3 . 10161 1 56 . 1 1 13 13 ARG C C 13 176.451 0.300 . 1 . . . . 13 ARG C . 10161 1 57 . 1 1 13 13 ARG HB2 H 1 1.808 0.030 . 2 . . . . 13 ARG HB2 . 10161 1 58 . 1 1 13 13 ARG HD2 H 1 3.159 0.030 . 2 . . . . 13 ARG HD2 . 10161 1 59 . 1 1 13 13 ARG HG2 H 1 1.712 0.030 . 2 . . . . 13 ARG HG2 . 10161 1 60 . 1 1 14 14 LEU N N 15 121.077 0.300 . 1 . . . . 14 LEU N . 10161 1 61 . 1 1 14 14 LEU H H 1 6.925 0.030 . 1 . . . . 14 LEU H . 10161 1 62 . 1 1 14 14 LEU CA C 13 56.582 0.300 . 1 . . . . 14 LEU CA . 10161 1 63 . 1 1 14 14 LEU HA H 1 4.394 0.030 . 1 . . . . 14 LEU HA . 10161 1 64 . 1 1 14 14 LEU CB C 13 42.968 0.300 . 1 . . . . 14 LEU CB . 10161 1 65 . 1 1 14 14 LEU HB3 H 1 1.415 0.030 . 2 . . . . 14 LEU HB3 . 10161 1 66 . 1 1 14 14 LEU CG C 13 30.063 0.300 . 1 . . . . 14 LEU CG . 10161 1 67 . 1 1 14 14 LEU HG H 1 1.523 0.030 . 1 . . . . 14 LEU HG . 10161 1 68 . 1 1 14 14 LEU CD1 C 13 23.109 0.300 . 2 . . . . 14 LEU CD1 . 10161 1 69 . 1 1 14 14 LEU HD11 H 1 0.129 0.030 . 1 . . . . 14 LEU HD1 . 10161 1 70 . 1 1 14 14 LEU HD12 H 1 0.129 0.030 . 1 . . . . 14 LEU HD1 . 10161 1 71 . 1 1 14 14 LEU HD13 H 1 0.129 0.030 . 1 . . . . 14 LEU HD1 . 10161 1 72 . 1 1 14 14 LEU CD2 C 13 26.553 0.300 . 2 . . . . 14 LEU CD2 . 10161 1 73 . 1 1 14 14 LEU HD21 H 1 0.360 0.030 . 1 . . . . 14 LEU HD2 . 10161 1 74 . 1 1 14 14 LEU HD22 H 1 0.360 0.030 . 1 . . . . 14 LEU HD2 . 10161 1 75 . 1 1 14 14 LEU HD23 H 1 0.360 0.030 . 1 . . . . 14 LEU HD2 . 10161 1 76 . 1 1 14 14 LEU C C 13 177.296 0.300 . 1 . . . . 14 LEU C . 10161 1 77 . 1 1 14 14 LEU HB2 H 1 1.522 0.030 . 2 . . . . 14 LEU HB2 . 10161 1 78 . 1 1 15 15 THR N N 15 115.028 0.300 . 1 . . . . 15 THR N . 10161 1 79 . 1 1 15 15 THR H H 1 8.716 0.030 . 1 . . . . 15 THR H . 10161 1 80 . 1 1 15 15 THR CA C 13 61.169 0.300 . 1 . . . . 15 THR CA . 10161 1 81 . 1 1 15 15 THR HA H 1 4.667 0.030 . 1 . . . . 15 THR HA . 10161 1 82 . 1 1 15 15 THR CB C 13 71.348 0.300 . 1 . . . . 15 THR CB . 10161 1 83 . 1 1 15 15 THR HB H 1 4.014 0.030 . 1 . . . . 15 THR HB . 10161 1 84 . 1 1 15 15 THR CG2 C 13 22.532 0.300 . 1 . . . . 15 THR CG2 . 10161 1 85 . 1 1 15 15 THR HG21 H 1 1.210 0.030 . 1 . . . . 15 THR HG2 . 10161 1 86 . 1 1 15 15 THR HG22 H 1 1.210 0.030 . 1 . . . . 15 THR HG2 . 10161 1 87 . 1 1 15 15 THR HG23 H 1 1.210 0.030 . 1 . . . . 15 THR HG2 . 10161 1 88 . 1 1 15 15 THR C C 13 173.454 0.300 . 1 . . . . 15 THR C . 10161 1 89 . 1 1 16 16 VAL N N 15 126.736 0.300 . 1 . . . . 16 VAL N . 10161 1 90 . 1 1 16 16 VAL H H 1 8.727 0.030 . 1 . . . . 16 VAL H . 10161 1 91 . 1 1 16 16 VAL CA C 13 62.600 0.300 . 1 . . . . 16 VAL CA . 10161 1 92 . 1 1 16 16 VAL HA H 1 4.539 0.030 . 1 . . . . 16 VAL HA . 10161 1 93 . 1 1 16 16 VAL CB C 13 32.521 0.300 . 1 . . . . 16 VAL CB . 10161 1 94 . 1 1 16 16 VAL HB H 1 2.023 0.030 . 1 . . . . 16 VAL HB . 10161 1 95 . 1 1 16 16 VAL CG1 C 13 21.402 0.300 . 2 . . . . 16 VAL CG1 . 10161 1 96 . 1 1 16 16 VAL HG11 H 1 0.648 0.030 . 1 . . . . 16 VAL HG1 . 10161 1 97 . 1 1 16 16 VAL HG12 H 1 0.648 0.030 . 1 . . . . 16 VAL HG1 . 10161 1 98 . 1 1 16 16 VAL HG13 H 1 0.648 0.030 . 1 . . . . 16 VAL HG1 . 10161 1 99 . 1 1 16 16 VAL CG2 C 13 21.908 0.300 . 2 . . . . 16 VAL CG2 . 10161 1 100 . 1 1 16 16 VAL HG21 H 1 1.010 0.030 . 1 . . . . 16 VAL HG2 . 10161 1 101 . 1 1 16 16 VAL HG22 H 1 1.010 0.030 . 1 . . . . 16 VAL HG2 . 10161 1 102 . 1 1 16 16 VAL HG23 H 1 1.010 0.030 . 1 . . . . 16 VAL HG2 . 10161 1 103 . 1 1 16 16 VAL C C 13 175.348 0.300 . 1 . . . . 16 VAL C . 10161 1 104 . 1 1 17 17 MET N N 15 126.444 0.300 . 1 . . . . 17 MET N . 10161 1 105 . 1 1 17 17 MET H H 1 9.255 0.030 . 1 . . . . 17 MET H . 10161 1 106 . 1 1 17 17 MET CA C 13 54.872 0.300 . 1 . . . . 17 MET CA . 10161 1 107 . 1 1 17 17 MET HA H 1 4.806 0.030 . 1 . . . . 17 MET HA . 10161 1 108 . 1 1 17 17 MET CB C 13 35.443 0.300 . 1 . . . . 17 MET CB . 10161 1 109 . 1 1 17 17 MET HB3 H 1 2.155 0.030 . 2 . . . . 17 MET HB3 . 10161 1 110 . 1 1 17 17 MET CG C 13 31.516 0.300 . 1 . . . . 17 MET CG . 10161 1 111 . 1 1 17 17 MET HG3 H 1 2.469 0.030 . 1 . . . . 17 MET HG3 . 10161 1 112 . 1 1 17 17 MET CE C 13 16.974 0.300 . 1 . . . . 17 MET CE . 10161 1 113 . 1 1 17 17 MET HE1 H 1 2.042 0.030 . 1 . . . . 17 MET HE . 10161 1 114 . 1 1 17 17 MET HE2 H 1 2.042 0.030 . 1 . . . . 17 MET HE . 10161 1 115 . 1 1 17 17 MET HE3 H 1 2.042 0.030 . 1 . . . . 17 MET HE . 10161 1 116 . 1 1 17 17 MET C C 13 174.681 0.300 . 1 . . . . 17 MET C . 10161 1 117 . 1 1 17 17 MET HB2 H 1 2.014 0.030 . 2 . . . . 17 MET HB2 . 10161 1 118 . 1 1 17 17 MET HG2 H 1 2.469 0.030 . 1 . . . . 17 MET HG2 . 10161 1 119 . 1 1 18 18 SER N N 15 112.443 0.300 . 1 . . . . 18 SER N . 10161 1 120 . 1 1 18 18 SER H H 1 8.568 0.030 . 1 . . . . 18 SER H . 10161 1 121 . 1 1 18 18 SER CA C 13 58.711 0.300 . 1 . . . . 18 SER CA . 10161 1 122 . 1 1 18 18 SER HA H 1 4.018 0.030 . 1 . . . . 18 SER HA . 10161 1 123 . 1 1 18 18 SER CB C 13 62.009 0.300 . 1 . . . . 18 SER CB . 10161 1 124 . 1 1 18 18 SER HB3 H 1 4.121 0.030 . 2 . . . . 18 SER HB3 . 10161 1 125 . 1 1 18 18 SER C C 13 173.373 0.300 . 1 . . . . 18 SER C . 10161 1 126 . 1 1 18 18 SER HB2 H 1 3.960 0.030 . 2 . . . . 18 SER HB2 . 10161 1 127 . 1 1 19 19 LEU N N 15 122.011 0.300 . 1 . . . . 19 LEU N . 10161 1 128 . 1 1 19 19 LEU H H 1 7.996 0.030 . 1 . . . . 19 LEU H . 10161 1 129 . 1 1 19 19 LEU CA C 13 54.978 0.300 . 1 . . . . 19 LEU CA . 10161 1 130 . 1 1 19 19 LEU HA H 1 4.283 0.030 . 1 . . . . 19 LEU HA . 10161 1 131 . 1 1 19 19 LEU CB C 13 41.955 0.300 . 1 . . . . 19 LEU CB . 10161 1 132 . 1 1 19 19 LEU HB3 H 1 0.714 0.030 . 2 . . . . 19 LEU HB3 . 10161 1 133 . 1 1 19 19 LEU CG C 13 27.014 0.300 . 1 . . . . 19 LEU CG . 10161 1 134 . 1 1 19 19 LEU HG H 1 0.971 0.030 . 1 . . . . 19 LEU HG . 10161 1 135 . 1 1 19 19 LEU CD1 C 13 23.302 0.300 . 2 . . . . 19 LEU CD1 . 10161 1 136 . 1 1 19 19 LEU HD11 H 1 0.048 0.030 . 1 . . . . 19 LEU HD1 . 10161 1 137 . 1 1 19 19 LEU HD12 H 1 0.048 0.030 . 1 . . . . 19 LEU HD1 . 10161 1 138 . 1 1 19 19 LEU HD13 H 1 0.048 0.030 . 1 . . . . 19 LEU HD1 . 10161 1 139 . 1 1 19 19 LEU CD2 C 13 24.899 0.300 . 2 . . . . 19 LEU CD2 . 10161 1 140 . 1 1 19 19 LEU HD21 H 1 0.151 0.030 . 1 . . . . 19 LEU HD2 . 10161 1 141 . 1 1 19 19 LEU HD22 H 1 0.151 0.030 . 1 . . . . 19 LEU HD2 . 10161 1 142 . 1 1 19 19 LEU HD23 H 1 0.151 0.030 . 1 . . . . 19 LEU HD2 . 10161 1 143 . 1 1 19 19 LEU C C 13 176.135 0.300 . 1 . . . . 19 LEU C . 10161 1 144 . 1 1 19 19 LEU HB2 H 1 1.428 0.030 . 2 . . . . 19 LEU HB2 . 10161 1 145 . 1 1 20 20 GLN N N 15 127.739 0.300 . 1 . . . . 20 GLN N . 10161 1 146 . 1 1 20 20 GLN H H 1 8.669 0.030 . 1 . . . . 20 GLN H . 10161 1 147 . 1 1 20 20 GLN CA C 13 55.617 0.300 . 1 . . . . 20 GLN CA . 10161 1 148 . 1 1 20 20 GLN HA H 1 4.400 0.030 . 1 . . . . 20 GLN HA . 10161 1 149 . 1 1 20 20 GLN CB C 13 29.298 0.300 . 1 . . . . 20 GLN CB . 10161 1 150 . 1 1 20 20 GLN HB3 H 1 2.152 0.030 . 2 . . . . 20 GLN HB3 . 10161 1 151 . 1 1 20 20 GLN CG C 13 33.791 0.300 . 1 . . . . 20 GLN CG . 10161 1 152 . 1 1 20 20 GLN HG3 H 1 2.482 0.030 . 2 . . . . 20 GLN HG3 . 10161 1 153 . 1 1 20 20 GLN NE2 N 15 111.476 0.300 . 1 . . . . 20 GLN NE2 . 10161 1 154 . 1 1 20 20 GLN HE21 H 1 7.552 0.030 . 2 . . . . 20 GLN HE21 . 10161 1 155 . 1 1 20 20 GLN HE22 H 1 6.833 0.030 . 2 . . . . 20 GLN HE22 . 10161 1 156 . 1 1 20 20 GLN C C 13 175.033 0.300 . 1 . . . . 20 GLN C . 10161 1 157 . 1 1 20 20 GLN HB2 H 1 2.053 0.030 . 2 . . . . 20 GLN HB2 . 10161 1 158 . 1 1 20 20 GLN HG2 H 1 2.432 0.030 . 2 . . . . 20 GLN HG2 . 10161 1 159 . 1 1 21 21 GLU N N 15 121.152 0.300 . 1 . . . . 21 GLU N . 10161 1 160 . 1 1 21 21 GLU H H 1 8.546 0.030 . 1 . . . . 21 GLU H . 10161 1 161 . 1 1 21 21 GLU CA C 13 57.598 0.300 . 1 . . . . 21 GLU CA . 10161 1 162 . 1 1 21 21 GLU HA H 1 4.310 0.030 . 1 . . . . 21 GLU HA . 10161 1 163 . 1 1 21 21 GLU CB C 13 30.764 0.300 . 1 . . . . 21 GLU CB . 10161 1 164 . 1 1 21 21 GLU HB3 H 1 2.094 0.030 . 2 . . . . 21 GLU HB3 . 10161 1 165 . 1 1 21 21 GLU CG C 13 36.941 0.300 . 1 . . . . 21 GLU CG . 10161 1 166 . 1 1 21 21 GLU HG3 H 1 2.327 0.030 . 1 . . . . 21 GLU HG3 . 10161 1 167 . 1 1 21 21 GLU C C 13 176.581 0.300 . 1 . . . . 21 GLU C . 10161 1 168 . 1 1 21 21 GLU HB2 H 1 2.257 0.030 . 2 . . . . 21 GLU HB2 . 10161 1 169 . 1 1 21 21 GLU HG2 H 1 2.327 0.030 . 1 . . . . 21 GLU HG2 . 10161 1 170 . 1 1 22 22 SER N N 15 113.328 0.300 . 1 . . . . 22 SER N . 10161 1 171 . 1 1 22 22 SER H H 1 8.018 0.030 . 1 . . . . 22 SER H . 10161 1 172 . 1 1 22 22 SER CA C 13 57.682 0.300 . 1 . . . . 22 SER CA . 10161 1 173 . 1 1 22 22 SER HA H 1 4.997 0.030 . 1 . . . . 22 SER HA . 10161 1 174 . 1 1 22 22 SER CB C 13 64.489 0.300 . 1 . . . . 22 SER CB . 10161 1 175 . 1 1 22 22 SER HB3 H 1 3.947 0.030 . 1 . . . . 22 SER HB3 . 10161 1 176 . 1 1 22 22 SER C C 13 174.062 0.300 . 1 . . . . 22 SER C . 10161 1 177 . 1 1 22 22 SER HB2 H 1 3.947 0.030 . 1 . . . . 22 SER HB2 . 10161 1 178 . 1 1 23 23 GLY N N 15 109.317 0.300 . 1 . . . . 23 GLY N . 10161 1 179 . 1 1 23 23 GLY H H 1 8.828 0.030 . 1 . . . . 23 GLY H . 10161 1 180 . 1 1 23 23 GLY CA C 13 45.609 0.300 . 1 . . . . 23 GLY CA . 10161 1 181 . 1 1 23 23 GLY HA3 H 1 4.116 0.030 . 2 . . . . 23 GLY HA3 . 10161 1 182 . 1 1 23 23 GLY C C 13 174.629 0.300 . 1 . . . . 23 GLY C . 10161 1 183 . 1 1 23 23 GLY HA2 H 1 3.832 0.030 . 2 . . . . 23 GLY HA2 . 10161 1 184 . 1 1 24 24 LEU N N 15 120.545 0.300 . 1 . . . . 24 LEU N . 10161 1 185 . 1 1 24 24 LEU H H 1 7.559 0.030 . 1 . . . . 24 LEU H . 10161 1 186 . 1 1 24 24 LEU CA C 13 55.569 0.300 . 1 . . . . 24 LEU CA . 10161 1 187 . 1 1 24 24 LEU HA H 1 4.310 0.030 . 1 . . . . 24 LEU HA . 10161 1 188 . 1 1 24 24 LEU CB C 13 42.978 0.300 . 1 . . . . 24 LEU CB . 10161 1 189 . 1 1 24 24 LEU HB3 H 1 1.513 0.030 . 2 . . . . 24 LEU HB3 . 10161 1 190 . 1 1 24 24 LEU CG C 13 28.396 0.300 . 1 . . . . 24 LEU CG . 10161 1 191 . 1 1 24 24 LEU HG H 1 1.577 0.030 . 1 . . . . 24 LEU HG . 10161 1 192 . 1 1 24 24 LEU CD1 C 13 25.313 0.300 . 2 . . . . 24 LEU CD1 . 10161 1 193 . 1 1 24 24 LEU HD11 H 1 0.753 0.030 . 1 . . . . 24 LEU HD1 . 10161 1 194 . 1 1 24 24 LEU HD12 H 1 0.753 0.030 . 1 . . . . 24 LEU HD1 . 10161 1 195 . 1 1 24 24 LEU HD13 H 1 0.753 0.030 . 1 . . . . 24 LEU HD1 . 10161 1 196 . 1 1 24 24 LEU CD2 C 13 24.131 0.300 . 2 . . . . 24 LEU CD2 . 10161 1 197 . 1 1 24 24 LEU HD21 H 1 0.785 0.030 . 1 . . . . 24 LEU HD2 . 10161 1 198 . 1 1 24 24 LEU HD22 H 1 0.785 0.030 . 1 . . . . 24 LEU HD2 . 10161 1 199 . 1 1 24 24 LEU HD23 H 1 0.785 0.030 . 1 . . . . 24 LEU HD2 . 10161 1 200 . 1 1 24 24 LEU C C 13 176.704 0.300 . 1 . . . . 24 LEU C . 10161 1 201 . 1 1 24 24 LEU HB2 H 1 1.751 0.030 . 2 . . . . 24 LEU HB2 . 10161 1 202 . 1 1 25 25 LYS N N 15 122.188 0.300 . 1 . . . . 25 LYS N . 10161 1 203 . 1 1 25 25 LYS H H 1 8.828 0.030 . 1 . . . . 25 LYS H . 10161 1 204 . 1 1 25 25 LYS CA C 13 54.686 0.300 . 1 . . . . 25 LYS CA . 10161 1 205 . 1 1 25 25 LYS HA H 1 4.676 0.030 . 1 . . . . 25 LYS HA . 10161 1 206 . 1 1 25 25 LYS CB C 13 35.736 0.300 . 1 . . . . 25 LYS CB . 10161 1 207 . 1 1 25 25 LYS HB3 H 1 1.449 0.030 . 2 . . . . 25 LYS HB3 . 10161 1 208 . 1 1 25 25 LYS CG C 13 25.077 0.300 . 1 . . . . 25 LYS CG . 10161 1 209 . 1 1 25 25 LYS HG3 H 1 1.388 0.030 . 1 . . . . 25 LYS HG3 . 10161 1 210 . 1 1 25 25 LYS CD C 13 29.008 0.300 . 1 . . . . 25 LYS CD . 10161 1 211 . 1 1 25 25 LYS HD3 H 1 1.618 0.030 . 1 . . . . 25 LYS HD3 . 10161 1 212 . 1 1 25 25 LYS CE C 13 42.330 0.300 . 1 . . . . 25 LYS CE . 10161 1 213 . 1 1 25 25 LYS HE3 H 1 2.977 0.030 . 1 . . . . 25 LYS HE3 . 10161 1 214 . 1 1 25 25 LYS C C 13 175.885 0.300 . 1 . . . . 25 LYS C . 10161 1 215 . 1 1 25 25 LYS HB2 H 1 1.700 0.030 . 2 . . . . 25 LYS HB2 . 10161 1 216 . 1 1 25 25 LYS HD2 H 1 1.618 0.030 . 1 . . . . 25 LYS HD2 . 10161 1 217 . 1 1 25 25 LYS HE2 H 1 2.977 0.030 . 1 . . . . 25 LYS HE2 . 10161 1 218 . 1 1 25 25 LYS HG2 H 1 1.388 0.030 . 1 . . . . 25 LYS HG2 . 10161 1 219 . 1 1 26 26 VAL N N 15 121.689 0.300 . 1 . . . . 26 VAL N . 10161 1 220 . 1 1 26 26 VAL H H 1 8.503 0.030 . 1 . . . . 26 VAL H . 10161 1 221 . 1 1 26 26 VAL CA C 13 64.069 0.300 . 1 . . . . 26 VAL CA . 10161 1 222 . 1 1 26 26 VAL HA H 1 3.218 0.030 . 1 . . . . 26 VAL HA . 10161 1 223 . 1 1 26 26 VAL CB C 13 31.636 0.300 . 1 . . . . 26 VAL CB . 10161 1 224 . 1 1 26 26 VAL HB H 1 1.785 0.030 . 1 . . . . 26 VAL HB . 10161 1 225 . 1 1 26 26 VAL CG1 C 13 21.875 0.300 . 2 . . . . 26 VAL CG1 . 10161 1 226 . 1 1 26 26 VAL HG11 H 1 0.709 0.030 . 1 . . . . 26 VAL HG1 . 10161 1 227 . 1 1 26 26 VAL HG12 H 1 0.709 0.030 . 1 . . . . 26 VAL HG1 . 10161 1 228 . 1 1 26 26 VAL HG13 H 1 0.709 0.030 . 1 . . . . 26 VAL HG1 . 10161 1 229 . 1 1 26 26 VAL CG2 C 13 20.900 0.300 . 2 . . . . 26 VAL CG2 . 10161 1 230 . 1 1 26 26 VAL HG21 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 10161 1 231 . 1 1 26 26 VAL HG22 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 10161 1 232 . 1 1 26 26 VAL HG23 H 1 0.775 0.030 . 1 . . . . 26 VAL HG2 . 10161 1 233 . 1 1 26 26 VAL C C 13 175.837 0.300 . 1 . . . . 26 VAL C . 10161 1 234 . 1 1 27 27 ASN N N 15 116.772 0.300 . 1 . . . . 27 ASN N . 10161 1 235 . 1 1 27 27 ASN H H 1 8.682 0.030 . 1 . . . . 27 ASN H . 10161 1 236 . 1 1 27 27 ASN CA C 13 55.183 0.300 . 1 . . . . 27 ASN CA . 10161 1 237 . 1 1 27 27 ASN HA H 1 4.138 0.030 . 1 . . . . 27 ASN HA . 10161 1 238 . 1 1 27 27 ASN CB C 13 37.242 0.300 . 1 . . . . 27 ASN CB . 10161 1 239 . 1 1 27 27 ASN HB3 H 1 3.076 0.030 . 1 . . . . 27 ASN HB3 . 10161 1 240 . 1 1 27 27 ASN ND2 N 15 113.893 0.300 . 1 . . . . 27 ASN ND2 . 10161 1 241 . 1 1 27 27 ASN HD21 H 1 7.676 0.030 . 2 . . . . 27 ASN HD21 . 10161 1 242 . 1 1 27 27 ASN HD22 H 1 7.032 0.030 . 2 . . . . 27 ASN HD22 . 10161 1 243 . 1 1 27 27 ASN C C 13 173.308 0.300 . 1 . . . . 27 ASN C . 10161 1 244 . 1 1 27 27 ASN HB2 H 1 3.076 0.030 . 1 . . . . 27 ASN HB2 . 10161 1 245 . 1 1 28 28 GLN N N 15 118.793 0.300 . 1 . . . . 28 GLN N . 10161 1 246 . 1 1 28 28 GLN H H 1 7.544 0.030 . 1 . . . . 28 GLN H . 10161 1 247 . 1 1 28 28 GLN CA C 13 52.212 0.300 . 1 . . . . 28 GLN CA . 10161 1 248 . 1 1 28 28 GLN HA H 1 4.893 0.030 . 1 . . . . 28 GLN HA . 10161 1 249 . 1 1 28 28 GLN CB C 13 30.060 0.300 . 1 . . . . 28 GLN CB . 10161 1 250 . 1 1 28 28 GLN HB3 H 1 2.138 0.030 . 2 . . . . 28 GLN HB3 . 10161 1 251 . 1 1 28 28 GLN CG C 13 33.342 0.300 . 1 . . . . 28 GLN CG . 10161 1 252 . 1 1 28 28 GLN HG3 H 1 2.257 0.030 . 1 . . . . 28 GLN HG3 . 10161 1 253 . 1 1 28 28 GLN NE2 N 15 112.210 0.300 . 1 . . . . 28 GLN NE2 . 10161 1 254 . 1 1 28 28 GLN HE21 H 1 7.550 0.030 . 2 . . . . 28 GLN HE21 . 10161 1 255 . 1 1 28 28 GLN HE22 H 1 6.890 0.030 . 2 . . . . 28 GLN HE22 . 10161 1 256 . 1 1 28 28 GLN C C 13 173.078 0.300 . 1 . . . . 28 GLN C . 10161 1 257 . 1 1 28 28 GLN HB2 H 1 1.742 0.030 . 2 . . . . 28 GLN HB2 . 10161 1 258 . 1 1 28 28 GLN HG2 H 1 2.257 0.030 . 1 . . . . 28 GLN HG2 . 10161 1 259 . 1 1 29 29 PRO CA C 13 63.563 0.300 . 1 . . . . 29 PRO CA . 10161 1 260 . 1 1 29 29 PRO HA H 1 4.294 0.030 . 1 . . . . 29 PRO HA . 10161 1 261 . 1 1 29 29 PRO CB C 13 31.874 0.300 . 1 . . . . 29 PRO CB . 10161 1 262 . 1 1 29 29 PRO HB3 H 1 1.961 0.030 . 2 . . . . 29 PRO HB3 . 10161 1 263 . 1 1 29 29 PRO CG C 13 27.740 0.300 . 1 . . . . 29 PRO CG . 10161 1 264 . 1 1 29 29 PRO HG3 H 1 1.851 0.030 . 2 . . . . 29 PRO HG3 . 10161 1 265 . 1 1 29 29 PRO CD C 13 50.479 0.300 . 1 . . . . 29 PRO CD . 10161 1 266 . 1 1 29 29 PRO HD3 H 1 3.784 0.030 . 2 . . . . 29 PRO HD3 . 10161 1 267 . 1 1 29 29 PRO C C 13 175.250 0.300 . 1 . . . . 29 PRO C . 10161 1 268 . 1 1 29 29 PRO HB2 H 1 1.775 0.030 . 2 . . . . 29 PRO HB2 . 10161 1 269 . 1 1 29 29 PRO HD2 H 1 3.660 0.030 . 2 . . . . 29 PRO HD2 . 10161 1 270 . 1 1 29 29 PRO HG2 H 1 2.086 0.030 . 2 . . . . 29 PRO HG2 . 10161 1 271 . 1 1 30 30 ALA N N 15 128.803 0.300 . 1 . . . . 30 ALA N . 10161 1 272 . 1 1 30 30 ALA H H 1 8.887 0.030 . 1 . . . . 30 ALA H . 10161 1 273 . 1 1 30 30 ALA CA C 13 50.558 0.300 . 1 . . . . 30 ALA CA . 10161 1 274 . 1 1 30 30 ALA HA H 1 4.539 0.030 . 1 . . . . 30 ALA HA . 10161 1 275 . 1 1 30 30 ALA CB C 13 21.602 0.300 . 1 . . . . 30 ALA CB . 10161 1 276 . 1 1 30 30 ALA HB1 H 1 0.669 0.030 . 1 . . . . 30 ALA HB . 10161 1 277 . 1 1 30 30 ALA HB2 H 1 0.669 0.030 . 1 . . . . 30 ALA HB . 10161 1 278 . 1 1 30 30 ALA HB3 H 1 0.669 0.030 . 1 . . . . 30 ALA HB . 10161 1 279 . 1 1 30 30 ALA C C 13 175.510 0.300 . 1 . . . . 30 ALA C . 10161 1 280 . 1 1 31 31 SER N N 15 112.512 0.300 . 1 . . . . 31 SER N . 10161 1 281 . 1 1 31 31 SER H H 1 8.214 0.030 . 1 . . . . 31 SER H . 10161 1 282 . 1 1 31 31 SER CA C 13 56.701 0.300 . 1 . . . . 31 SER CA . 10161 1 283 . 1 1 31 31 SER HA H 1 5.832 0.030 . 1 . . . . 31 SER HA . 10161 1 284 . 1 1 31 31 SER CB C 13 66.721 0.300 . 1 . . . . 31 SER CB . 10161 1 285 . 1 1 31 31 SER HB3 H 1 3.720 0.030 . 2 . . . . 31 SER HB3 . 10161 1 286 . 1 1 31 31 SER C C 13 173.379 0.300 . 1 . . . . 31 SER C . 10161 1 287 . 1 1 31 31 SER HB2 H 1 3.651 0.030 . 2 . . . . 31 SER HB2 . 10161 1 288 . 1 1 32 32 PHE N N 15 119.232 0.300 . 1 . . . . 32 PHE N . 10161 1 289 . 1 1 32 32 PHE H H 1 8.798 0.030 . 1 . . . . 32 PHE H . 10161 1 290 . 1 1 32 32 PHE CA C 13 56.218 0.300 . 1 . . . . 32 PHE CA . 10161 1 291 . 1 1 32 32 PHE HA H 1 4.925 0.030 . 1 . . . . 32 PHE HA . 10161 1 292 . 1 1 32 32 PHE CB C 13 39.752 0.300 . 1 . . . . 32 PHE CB . 10161 1 293 . 1 1 32 32 PHE HB3 H 1 3.249 0.030 . 2 . . . . 32 PHE HB3 . 10161 1 294 . 1 1 32 32 PHE CD1 C 13 133.249 0.300 . 1 . . . . 32 PHE CD1 . 10161 1 295 . 1 1 32 32 PHE HD1 H 1 7.044 0.030 . 1 . . . . 32 PHE HD1 . 10161 1 296 . 1 1 32 32 PHE CD2 C 13 133.249 0.300 . 1 . . . . 32 PHE CD2 . 10161 1 297 . 1 1 32 32 PHE HD2 H 1 7.044 0.030 . 1 . . . . 32 PHE HD2 . 10161 1 298 . 1 1 32 32 PHE CE1 C 13 129.678 0.300 . 1 . . . . 32 PHE CE1 . 10161 1 299 . 1 1 32 32 PHE HE1 H 1 6.882 0.030 . 1 . . . . 32 PHE HE1 . 10161 1 300 . 1 1 32 32 PHE CE2 C 13 129.678 0.300 . 1 . . . . 32 PHE CE2 . 10161 1 301 . 1 1 32 32 PHE HE2 H 1 6.882 0.030 . 1 . . . . 32 PHE HE2 . 10161 1 302 . 1 1 32 32 PHE CZ C 13 128.600 0.300 . 1 . . . . 32 PHE CZ . 10161 1 303 . 1 1 32 32 PHE HZ H 1 6.822 0.030 . 1 . . . . 32 PHE HZ . 10161 1 304 . 1 1 32 32 PHE C C 13 172.709 0.300 . 1 . . . . 32 PHE C . 10161 1 305 . 1 1 32 32 PHE HB2 H 1 3.065 0.030 . 2 . . . . 32 PHE HB2 . 10161 1 306 . 1 1 33 33 ALA N N 15 122.788 0.300 . 1 . . . . 33 ALA N . 10161 1 307 . 1 1 33 33 ALA H H 1 8.827 0.030 . 1 . . . . 33 ALA H . 10161 1 308 . 1 1 33 33 ALA CA C 13 50.616 0.300 . 1 . . . . 33 ALA CA . 10161 1 309 . 1 1 33 33 ALA HA H 1 5.654 0.030 . 1 . . . . 33 ALA HA . 10161 1 310 . 1 1 33 33 ALA CB C 13 22.616 0.300 . 1 . . . . 33 ALA CB . 10161 1 311 . 1 1 33 33 ALA HB1 H 1 1.304 0.030 . 1 . . . . 33 ALA HB . 10161 1 312 . 1 1 33 33 ALA HB2 H 1 1.304 0.030 . 1 . . . . 33 ALA HB . 10161 1 313 . 1 1 33 33 ALA HB3 H 1 1.304 0.030 . 1 . . . . 33 ALA HB . 10161 1 314 . 1 1 33 33 ALA C C 13 175.770 0.300 . 1 . . . . 33 ALA C . 10161 1 315 . 1 1 34 34 ILE N N 15 118.542 0.300 . 1 . . . . 34 ILE N . 10161 1 316 . 1 1 34 34 ILE H H 1 9.194 0.030 . 1 . . . . 34 ILE H . 10161 1 317 . 1 1 34 34 ILE CA C 13 59.486 0.300 . 1 . . . . 34 ILE CA . 10161 1 318 . 1 1 34 34 ILE HA H 1 4.978 0.030 . 1 . . . . 34 ILE HA . 10161 1 319 . 1 1 34 34 ILE CB C 13 42.577 0.300 . 1 . . . . 34 ILE CB . 10161 1 320 . 1 1 34 34 ILE HB H 1 1.572 0.030 . 1 . . . . 34 ILE HB . 10161 1 321 . 1 1 34 34 ILE CG1 C 13 27.709 0.300 . 1 . . . . 34 ILE CG1 . 10161 1 322 . 1 1 34 34 ILE HG13 H 1 1.580 0.030 . 2 . . . . 34 ILE HG13 . 10161 1 323 . 1 1 34 34 ILE CG2 C 13 17.872 0.300 . 1 . . . . 34 ILE CG2 . 10161 1 324 . 1 1 34 34 ILE HG21 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10161 1 325 . 1 1 34 34 ILE HG22 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10161 1 326 . 1 1 34 34 ILE HG23 H 1 0.726 0.030 . 1 . . . . 34 ILE HG2 . 10161 1 327 . 1 1 34 34 ILE CD1 C 13 15.321 0.300 . 1 . . . . 34 ILE CD1 . 10161 1 328 . 1 1 34 34 ILE HD11 H 1 0.795 0.030 . 1 . . . . 34 ILE HD1 . 10161 1 329 . 1 1 34 34 ILE HD12 H 1 0.795 0.030 . 1 . . . . 34 ILE HD1 . 10161 1 330 . 1 1 34 34 ILE HD13 H 1 0.795 0.030 . 1 . . . . 34 ILE HD1 . 10161 1 331 . 1 1 34 34 ILE C C 13 174.924 0.300 . 1 . . . . 34 ILE C . 10161 1 332 . 1 1 34 34 ILE HG12 H 1 1.127 0.030 . 2 . . . . 34 ILE HG12 . 10161 1 333 . 1 1 35 35 ARG N N 15 126.774 0.300 . 1 . . . . 35 ARG N . 10161 1 334 . 1 1 35 35 ARG H H 1 9.038 0.030 . 1 . . . . 35 ARG H . 10161 1 335 . 1 1 35 35 ARG CA C 13 54.096 0.300 . 1 . . . . 35 ARG CA . 10161 1 336 . 1 1 35 35 ARG HA H 1 5.283 0.030 . 1 . . . . 35 ARG HA . 10161 1 337 . 1 1 35 35 ARG CB C 13 32.039 0.300 . 1 . . . . 35 ARG CB . 10161 1 338 . 1 1 35 35 ARG HB3 H 1 1.961 0.030 . 2 . . . . 35 ARG HB3 . 10161 1 339 . 1 1 35 35 ARG CG C 13 27.775 0.300 . 1 . . . . 35 ARG CG . 10161 1 340 . 1 1 35 35 ARG HG3 H 1 1.767 0.030 . 2 . . . . 35 ARG HG3 . 10161 1 341 . 1 1 35 35 ARG CD C 13 43.395 0.300 . 1 . . . . 35 ARG CD . 10161 1 342 . 1 1 35 35 ARG HD3 H 1 3.291 0.030 . 1 . . . . 35 ARG HD3 . 10161 1 343 . 1 1 35 35 ARG C C 13 175.959 0.300 . 1 . . . . 35 ARG C . 10161 1 344 . 1 1 35 35 ARG HB2 H 1 1.736 0.030 . 2 . . . . 35 ARG HB2 . 10161 1 345 . 1 1 35 35 ARG HD2 H 1 3.291 0.030 . 1 . . . . 35 ARG HD2 . 10161 1 346 . 1 1 35 35 ARG HG2 H 1 1.586 0.030 . 2 . . . . 35 ARG HG2 . 10161 1 347 . 1 1 36 36 LEU N N 15 123.887 0.300 . 1 . . . . 36 LEU N . 10161 1 348 . 1 1 36 36 LEU H H 1 8.648 0.030 . 1 . . . . 36 LEU H . 10161 1 349 . 1 1 36 36 LEU CA C 13 56.318 0.300 . 1 . . . . 36 LEU CA . 10161 1 350 . 1 1 36 36 LEU HA H 1 4.037 0.030 . 1 . . . . 36 LEU HA . 10161 1 351 . 1 1 36 36 LEU CB C 13 41.028 0.300 . 1 . . . . 36 LEU CB . 10161 1 352 . 1 1 36 36 LEU HB3 H 1 1.616 0.030 . 2 . . . . 36 LEU HB3 . 10161 1 353 . 1 1 36 36 LEU CG C 13 28.171 0.300 . 1 . . . . 36 LEU CG . 10161 1 354 . 1 1 36 36 LEU HG H 1 1.468 0.030 . 1 . . . . 36 LEU HG . 10161 1 355 . 1 1 36 36 LEU CD1 C 13 25.900 0.300 . 2 . . . . 36 LEU CD1 . 10161 1 356 . 1 1 36 36 LEU HD11 H 1 0.913 0.030 . 1 . . . . 36 LEU HD1 . 10161 1 357 . 1 1 36 36 LEU HD12 H 1 0.913 0.030 . 1 . . . . 36 LEU HD1 . 10161 1 358 . 1 1 36 36 LEU HD13 H 1 0.913 0.030 . 1 . . . . 36 LEU HD1 . 10161 1 359 . 1 1 36 36 LEU CD2 C 13 23.603 0.300 . 2 . . . . 36 LEU CD2 . 10161 1 360 . 1 1 36 36 LEU HD21 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10161 1 361 . 1 1 36 36 LEU HD22 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10161 1 362 . 1 1 36 36 LEU HD23 H 1 0.552 0.030 . 1 . . . . 36 LEU HD2 . 10161 1 363 . 1 1 36 36 LEU C C 13 177.292 0.300 . 1 . . . . 36 LEU C . 10161 1 364 . 1 1 36 36 LEU HB2 H 1 1.919 0.030 . 2 . . . . 36 LEU HB2 . 10161 1 365 . 1 1 37 37 ASN N N 15 115.087 0.300 . 1 . . . . 37 ASN N . 10161 1 366 . 1 1 37 37 ASN H H 1 8.594 0.030 . 1 . . . . 37 ASN H . 10161 1 367 . 1 1 37 37 ASN CA C 13 54.182 0.300 . 1 . . . . 37 ASN CA . 10161 1 368 . 1 1 37 37 ASN HA H 1 4.407 0.030 . 1 . . . . 37 ASN HA . 10161 1 369 . 1 1 37 37 ASN CB C 13 37.687 0.300 . 1 . . . . 37 ASN CB . 10161 1 370 . 1 1 37 37 ASN HB3 H 1 2.781 0.030 . 2 . . . . 37 ASN HB3 . 10161 1 371 . 1 1 37 37 ASN ND2 N 15 117.435 0.300 . 1 . . . . 37 ASN ND2 . 10161 1 372 . 1 1 37 37 ASN HD21 H 1 7.998 0.030 . 2 . . . . 37 ASN HD21 . 10161 1 373 . 1 1 37 37 ASN HD22 H 1 6.914 0.030 . 2 . . . . 37 ASN HD22 . 10161 1 374 . 1 1 37 37 ASN C C 13 176.277 0.300 . 1 . . . . 37 ASN C . 10161 1 375 . 1 1 37 37 ASN HB2 H 1 2.921 0.030 . 2 . . . . 37 ASN HB2 . 10161 1 376 . 1 1 38 38 GLY N N 15 106.329 0.300 . 1 . . . . 38 GLY N . 10161 1 377 . 1 1 38 38 GLY H H 1 9.506 0.030 . 1 . . . . 38 GLY H . 10161 1 378 . 1 1 38 38 GLY CA C 13 45.290 0.300 . 1 . . . . 38 GLY CA . 10161 1 379 . 1 1 38 38 GLY HA3 H 1 4.156 0.030 . 2 . . . . 38 GLY HA3 . 10161 1 380 . 1 1 38 38 GLY C C 13 174.483 0.300 . 1 . . . . 38 GLY C . 10161 1 381 . 1 1 38 38 GLY HA2 H 1 3.617 0.030 . 2 . . . . 38 GLY HA2 . 10161 1 382 . 1 1 39 39 ALA N N 15 124.015 0.300 . 1 . . . . 39 ALA N . 10161 1 383 . 1 1 39 39 ALA H H 1 7.483 0.030 . 1 . . . . 39 ALA H . 10161 1 384 . 1 1 39 39 ALA CA C 13 52.396 0.300 . 1 . . . . 39 ALA CA . 10161 1 385 . 1 1 39 39 ALA HA H 1 4.280 0.030 . 1 . . . . 39 ALA HA . 10161 1 386 . 1 1 39 39 ALA CB C 13 20.424 0.300 . 1 . . . . 39 ALA CB . 10161 1 387 . 1 1 39 39 ALA HB1 H 1 1.169 0.030 . 1 . . . . 39 ALA HB . 10161 1 388 . 1 1 39 39 ALA HB2 H 1 1.169 0.030 . 1 . . . . 39 ALA HB . 10161 1 389 . 1 1 39 39 ALA HB3 H 1 1.169 0.030 . 1 . . . . 39 ALA HB . 10161 1 390 . 1 1 39 39 ALA C C 13 176.275 0.300 . 1 . . . . 39 ALA C . 10161 1 391 . 1 1 40 40 LYS N N 15 119.513 0.300 . 1 . . . . 40 LYS N . 10161 1 392 . 1 1 40 40 LYS H H 1 8.685 0.030 . 1 . . . . 40 LYS H . 10161 1 393 . 1 1 40 40 LYS CA C 13 54.696 0.300 . 1 . . . . 40 LYS CA . 10161 1 394 . 1 1 40 40 LYS HA H 1 4.811 0.030 . 1 . . . . 40 LYS HA . 10161 1 395 . 1 1 40 40 LYS CB C 13 34.324 0.300 . 1 . . . . 40 LYS CB . 10161 1 396 . 1 1 40 40 LYS HB3 H 1 1.768 0.030 . 1 . . . . 40 LYS HB3 . 10161 1 397 . 1 1 40 40 LYS CG C 13 24.480 0.300 . 1 . . . . 40 LYS CG . 10161 1 398 . 1 1 40 40 LYS HG3 H 1 1.495 0.030 . 2 . . . . 40 LYS HG3 . 10161 1 399 . 1 1 40 40 LYS CD C 13 28.950 0.300 . 1 . . . . 40 LYS CD . 10161 1 400 . 1 1 40 40 LYS HD3 H 1 1.716 0.030 . 2 . . . . 40 LYS HD3 . 10161 1 401 . 1 1 40 40 LYS CE C 13 42.341 0.300 . 1 . . . . 40 LYS CE . 10161 1 402 . 1 1 40 40 LYS HE3 H 1 3.013 0.030 . 1 . . . . 40 LYS HE3 . 10161 1 403 . 1 1 40 40 LYS C C 13 176.004 0.300 . 1 . . . . 40 LYS C . 10161 1 404 . 1 1 40 40 LYS HB2 H 1 1.768 0.030 . 1 . . . . 40 LYS HB2 . 10161 1 405 . 1 1 40 40 LYS HD2 H 1 1.679 0.030 . 2 . . . . 40 LYS HD2 . 10161 1 406 . 1 1 40 40 LYS HE2 H 1 3.013 0.030 . 1 . . . . 40 LYS HE2 . 10161 1 407 . 1 1 40 40 LYS HG2 H 1 1.399 0.030 . 2 . . . . 40 LYS HG2 . 10161 1 408 . 1 1 41 41 GLY N N 15 111.941 0.300 . 1 . . . . 41 GLY N . 10161 1 409 . 1 1 41 41 GLY H H 1 8.398 0.030 . 1 . . . . 41 GLY H . 10161 1 410 . 1 1 41 41 GLY CA C 13 45.887 0.300 . 1 . . . . 41 GLY CA . 10161 1 411 . 1 1 41 41 GLY HA3 H 1 3.722 0.030 . 1 . . . . 41 GLY HA3 . 10161 1 412 . 1 1 41 41 GLY C C 13 171.021 0.300 . 1 . . . . 41 GLY C . 10161 1 413 . 1 1 41 41 GLY HA2 H 1 3.722 0.030 . 1 . . . . 41 GLY HA2 . 10161 1 414 . 1 1 42 42 LYS N N 15 119.600 0.300 . 1 . . . . 42 LYS N . 10161 1 415 . 1 1 42 42 LYS H H 1 7.293 0.030 . 1 . . . . 42 LYS H . 10161 1 416 . 1 1 42 42 LYS CA C 13 54.522 0.300 . 1 . . . . 42 LYS CA . 10161 1 417 . 1 1 42 42 LYS HA H 1 4.467 0.030 . 1 . . . . 42 LYS HA . 10161 1 418 . 1 1 42 42 LYS CB C 13 34.979 0.300 . 1 . . . . 42 LYS CB . 10161 1 419 . 1 1 42 42 LYS HB3 H 1 1.629 0.030 . 2 . . . . 42 LYS HB3 . 10161 1 420 . 1 1 42 42 LYS CG C 13 24.652 0.300 . 1 . . . . 42 LYS CG . 10161 1 421 . 1 1 42 42 LYS HG3 H 1 1.232 0.030 . 1 . . . . 42 LYS HG3 . 10161 1 422 . 1 1 42 42 LYS CD C 13 29.008 0.300 . 1 . . . . 42 LYS CD . 10161 1 423 . 1 1 42 42 LYS HD3 H 1 1.621 0.030 . 2 . . . . 42 LYS HD3 . 10161 1 424 . 1 1 42 42 LYS CE C 13 42.218 0.300 . 1 . . . . 42 LYS CE . 10161 1 425 . 1 1 42 42 LYS HE3 H 1 2.950 0.030 . 1 . . . . 42 LYS HE3 . 10161 1 426 . 1 1 42 42 LYS C C 13 175.675 0.300 . 1 . . . . 42 LYS C . 10161 1 427 . 1 1 42 42 LYS HB2 H 1 1.534 0.030 . 2 . . . . 42 LYS HB2 . 10161 1 428 . 1 1 42 42 LYS HD2 H 1 1.586 0.030 . 2 . . . . 42 LYS HD2 . 10161 1 429 . 1 1 42 42 LYS HE2 H 1 2.950 0.030 . 1 . . . . 42 LYS HE2 . 10161 1 430 . 1 1 42 42 LYS HG2 H 1 1.232 0.030 . 1 . . . . 42 LYS HG2 . 10161 1 431 . 1 1 43 43 ILE N N 15 127.421 0.300 . 1 . . . . 43 ILE N . 10161 1 432 . 1 1 43 43 ILE H H 1 8.706 0.030 . 1 . . . . 43 ILE H . 10161 1 433 . 1 1 43 43 ILE CA C 13 60.336 0.300 . 1 . . . . 43 ILE CA . 10161 1 434 . 1 1 43 43 ILE HA H 1 4.695 0.030 . 1 . . . . 43 ILE HA . 10161 1 435 . 1 1 43 43 ILE CB C 13 39.322 0.300 . 1 . . . . 43 ILE CB . 10161 1 436 . 1 1 43 43 ILE HB H 1 1.565 0.030 . 1 . . . . 43 ILE HB . 10161 1 437 . 1 1 43 43 ILE CG1 C 13 28.426 0.300 . 1 . . . . 43 ILE CG1 . 10161 1 438 . 1 1 43 43 ILE HG13 H 1 1.574 0.030 . 2 . . . . 43 ILE HG13 . 10161 1 439 . 1 1 43 43 ILE CG2 C 13 17.365 0.300 . 1 . . . . 43 ILE CG2 . 10161 1 440 . 1 1 43 43 ILE HG21 H 1 0.680 0.030 . 1 . . . . 43 ILE HG2 . 10161 1 441 . 1 1 43 43 ILE HG22 H 1 0.680 0.030 . 1 . . . . 43 ILE HG2 . 10161 1 442 . 1 1 43 43 ILE HG23 H 1 0.680 0.030 . 1 . . . . 43 ILE HG2 . 10161 1 443 . 1 1 43 43 ILE CD1 C 13 13.855 0.300 . 1 . . . . 43 ILE CD1 . 10161 1 444 . 1 1 43 43 ILE HD11 H 1 0.409 0.030 . 1 . . . . 43 ILE HD1 . 10161 1 445 . 1 1 43 43 ILE HD12 H 1 0.409 0.030 . 1 . . . . 43 ILE HD1 . 10161 1 446 . 1 1 43 43 ILE HD13 H 1 0.409 0.030 . 1 . . . . 43 ILE HD1 . 10161 1 447 . 1 1 43 43 ILE C C 13 174.542 0.300 . 1 . . . . 43 ILE C . 10161 1 448 . 1 1 43 43 ILE HG12 H 1 0.786 0.030 . 2 . . . . 43 ILE HG12 . 10161 1 449 . 1 1 44 44 ASP N N 15 127.995 0.300 . 1 . . . . 44 ASP N . 10161 1 450 . 1 1 44 44 ASP H H 1 8.861 0.030 . 1 . . . . 44 ASP H . 10161 1 451 . 1 1 44 44 ASP CA C 13 53.245 0.300 . 1 . . . . 44 ASP CA . 10161 1 452 . 1 1 44 44 ASP HA H 1 4.817 0.030 . 1 . . . . 44 ASP HA . 10161 1 453 . 1 1 44 44 ASP CB C 13 44.577 0.300 . 1 . . . . 44 ASP CB . 10161 1 454 . 1 1 44 44 ASP HB3 H 1 2.564 0.030 . 2 . . . . 44 ASP HB3 . 10161 1 455 . 1 1 44 44 ASP C C 13 173.768 0.300 . 1 . . . . 44 ASP C . 10161 1 456 . 1 1 44 44 ASP HB2 H 1 2.364 0.030 . 2 . . . . 44 ASP HB2 . 10161 1 457 . 1 1 45 45 ALA N N 15 127.601 0.300 . 1 . . . . 45 ALA N . 10161 1 458 . 1 1 45 45 ALA H H 1 8.819 0.030 . 1 . . . . 45 ALA H . 10161 1 459 . 1 1 45 45 ALA CA C 13 50.180 0.300 . 1 . . . . 45 ALA CA . 10161 1 460 . 1 1 45 45 ALA HA H 1 5.859 0.030 . 1 . . . . 45 ALA HA . 10161 1 461 . 1 1 45 45 ALA CB C 13 21.379 0.300 . 1 . . . . 45 ALA CB . 10161 1 462 . 1 1 45 45 ALA HB1 H 1 1.167 0.030 . 1 . . . . 45 ALA HB . 10161 1 463 . 1 1 45 45 ALA HB2 H 1 1.167 0.030 . 1 . . . . 45 ALA HB . 10161 1 464 . 1 1 45 45 ALA HB3 H 1 1.167 0.030 . 1 . . . . 45 ALA HB . 10161 1 465 . 1 1 45 45 ALA C C 13 175.393 0.300 . 1 . . . . 45 ALA C . 10161 1 466 . 1 1 46 46 LYS N N 15 122.427 0.300 . 1 . . . . 46 LYS N . 10161 1 467 . 1 1 46 46 LYS H H 1 8.723 0.030 . 1 . . . . 46 LYS H . 10161 1 468 . 1 1 46 46 LYS CA C 13 55.090 0.300 . 1 . . . . 46 LYS CA . 10161 1 469 . 1 1 46 46 LYS HA H 1 5.057 0.030 . 1 . . . . 46 LYS HA . 10161 1 470 . 1 1 46 46 LYS CB C 13 37.534 0.300 . 1 . . . . 46 LYS CB . 10161 1 471 . 1 1 46 46 LYS HB3 H 1 1.478 0.030 . 2 . . . . 46 LYS HB3 . 10161 1 472 . 1 1 46 46 LYS CG C 13 25.162 0.300 . 1 . . . . 46 LYS CG . 10161 1 473 . 1 1 46 46 LYS HG3 H 1 1.237 0.030 . 1 . . . . 46 LYS HG3 . 10161 1 474 . 1 1 46 46 LYS CD C 13 29.258 0.300 . 1 . . . . 46 LYS CD . 10161 1 475 . 1 1 46 46 LYS HD3 H 1 1.515 0.030 . 1 . . . . 46 LYS HD3 . 10161 1 476 . 1 1 46 46 LYS CE C 13 42.065 0.300 . 1 . . . . 46 LYS CE . 10161 1 477 . 1 1 46 46 LYS HE3 H 1 2.931 0.030 . 1 . . . . 46 LYS HE3 . 10161 1 478 . 1 1 46 46 LYS C C 13 173.473 0.300 . 1 . . . . 46 LYS C . 10161 1 479 . 1 1 46 46 LYS HB2 H 1 1.618 0.030 . 2 . . . . 46 LYS HB2 . 10161 1 480 . 1 1 46 46 LYS HD2 H 1 1.515 0.030 . 1 . . . . 46 LYS HD2 . 10161 1 481 . 1 1 46 46 LYS HE2 H 1 2.931 0.030 . 1 . . . . 46 LYS HE2 . 10161 1 482 . 1 1 46 46 LYS HG2 H 1 1.237 0.030 . 1 . . . . 46 LYS HG2 . 10161 1 483 . 1 1 47 47 VAL N N 15 120.177 0.300 . 1 . . . . 47 VAL N . 10161 1 484 . 1 1 47 47 VAL H H 1 8.989 0.030 . 1 . . . . 47 VAL H . 10161 1 485 . 1 1 47 47 VAL CA C 13 59.152 0.300 . 1 . . . . 47 VAL CA . 10161 1 486 . 1 1 47 47 VAL HA H 1 4.875 0.030 . 1 . . . . 47 VAL HA . 10161 1 487 . 1 1 47 47 VAL CB C 13 34.502 0.300 . 1 . . . . 47 VAL CB . 10161 1 488 . 1 1 47 47 VAL HB H 1 1.392 0.030 . 1 . . . . 47 VAL HB . 10161 1 489 . 1 1 47 47 VAL CG1 C 13 20.123 0.300 . 2 . . . . 47 VAL CG1 . 10161 1 490 . 1 1 47 47 VAL HG11 H 1 0.775 0.030 . 1 . . . . 47 VAL HG1 . 10161 1 491 . 1 1 47 47 VAL HG12 H 1 0.775 0.030 . 1 . . . . 47 VAL HG1 . 10161 1 492 . 1 1 47 47 VAL HG13 H 1 0.775 0.030 . 1 . . . . 47 VAL HG1 . 10161 1 493 . 1 1 47 47 VAL CG2 C 13 21.871 0.300 . 2 . . . . 47 VAL CG2 . 10161 1 494 . 1 1 47 47 VAL HG21 H 1 0.353 0.030 . 1 . . . . 47 VAL HG2 . 10161 1 495 . 1 1 47 47 VAL HG22 H 1 0.353 0.030 . 1 . . . . 47 VAL HG2 . 10161 1 496 . 1 1 47 47 VAL HG23 H 1 0.353 0.030 . 1 . . . . 47 VAL HG2 . 10161 1 497 . 1 1 47 47 VAL C C 13 173.786 0.300 . 1 . . . . 47 VAL C . 10161 1 498 . 1 1 48 48 HIS N N 15 127.949 0.300 . 1 . . . . 48 HIS N . 10161 1 499 . 1 1 48 48 HIS H H 1 9.661 0.030 . 1 . . . . 48 HIS H . 10161 1 500 . 1 1 48 48 HIS CA C 13 53.917 0.300 . 1 . . . . 48 HIS CA . 10161 1 501 . 1 1 48 48 HIS HA H 1 5.238 0.030 . 1 . . . . 48 HIS HA . 10161 1 502 . 1 1 48 48 HIS CB C 13 30.549 0.300 . 1 . . . . 48 HIS CB . 10161 1 503 . 1 1 48 48 HIS HB3 H 1 3.049 0.030 . 2 . . . . 48 HIS HB3 . 10161 1 504 . 1 1 48 48 HIS CD2 C 13 119.830 0.300 . 1 . . . . 48 HIS CD2 . 10161 1 505 . 1 1 48 48 HIS HD2 H 1 6.826 0.030 . 1 . . . . 48 HIS HD2 . 10161 1 506 . 1 1 48 48 HIS CE1 C 13 136.450 0.300 . 1 . . . . 48 HIS CE1 . 10161 1 507 . 1 1 48 48 HIS HE1 H 1 8.051 0.030 . 1 . . . . 48 HIS HE1 . 10161 1 508 . 1 1 48 48 HIS C C 13 175.556 0.300 . 1 . . . . 48 HIS C . 10161 1 509 . 1 1 48 48 HIS HB2 H 1 3.252 0.030 . 2 . . . . 48 HIS HB2 . 10161 1 510 . 1 1 49 49 SER N N 15 121.639 0.300 . 1 . . . . 49 SER N . 10161 1 511 . 1 1 49 49 SER H H 1 9.114 0.030 . 1 . . . . 49 SER H . 10161 1 512 . 1 1 49 49 SER CA C 13 56.693 0.300 . 1 . . . . 49 SER CA . 10161 1 513 . 1 1 49 49 SER HA H 1 4.391 0.030 . 1 . . . . 49 SER HA . 10161 1 514 . 1 1 49 49 SER CB C 13 63.160 0.300 . 1 . . . . 49 SER CB . 10161 1 515 . 1 1 49 49 SER HB3 H 1 4.059 0.030 . 2 . . . . 49 SER HB3 . 10161 1 516 . 1 1 49 49 SER C C 13 174.390 0.300 . 1 . . . . 49 SER C . 10161 1 517 . 1 1 49 49 SER HB2 H 1 3.982 0.030 . 2 . . . . 49 SER HB2 . 10161 1 518 . 1 1 50 50 PRO CA C 13 65.732 0.300 . 1 . . . . 50 PRO CA . 10161 1 519 . 1 1 50 50 PRO HA H 1 4.247 0.030 . 1 . . . . 50 PRO HA . 10161 1 520 . 1 1 50 50 PRO CB C 13 31.516 0.300 . 1 . . . . 50 PRO CB . 10161 1 521 . 1 1 50 50 PRO HB3 H 1 2.445 0.030 . 2 . . . . 50 PRO HB3 . 10161 1 522 . 1 1 50 50 PRO CG C 13 26.653 0.300 . 1 . . . . 50 PRO CG . 10161 1 523 . 1 1 50 50 PRO HG3 H 1 2.046 0.030 . 2 . . . . 50 PRO HG3 . 10161 1 524 . 1 1 50 50 PRO CD C 13 49.410 0.300 . 1 . . . . 50 PRO CD . 10161 1 525 . 1 1 50 50 PRO HD3 H 1 1.931 0.030 . 2 . . . . 50 PRO HD3 . 10161 1 526 . 1 1 50 50 PRO C C 13 177.969 0.300 . 1 . . . . 50 PRO C . 10161 1 527 . 1 1 50 50 PRO HB2 H 1 1.958 0.030 . 2 . . . . 50 PRO HB2 . 10161 1 528 . 1 1 50 50 PRO HD2 H 1 3.216 0.030 . 2 . . . . 50 PRO HD2 . 10161 1 529 . 1 1 50 50 PRO HG2 H 1 1.782 0.030 . 2 . . . . 50 PRO HG2 . 10161 1 530 . 1 1 51 51 SER N N 15 110.808 0.300 . 1 . . . . 51 SER N . 10161 1 531 . 1 1 51 51 SER H H 1 8.539 0.030 . 1 . . . . 51 SER H . 10161 1 532 . 1 1 51 51 SER CA C 13 59.311 0.300 . 1 . . . . 51 SER CA . 10161 1 533 . 1 1 51 51 SER HA H 1 4.331 0.030 . 1 . . . . 51 SER HA . 10161 1 534 . 1 1 51 51 SER CB C 13 62.767 0.300 . 1 . . . . 51 SER CB . 10161 1 535 . 1 1 51 51 SER HB3 H 1 4.033 0.030 . 1 . . . . 51 SER HB3 . 10161 1 536 . 1 1 51 51 SER C C 13 175.339 0.300 . 1 . . . . 51 SER C . 10161 1 537 . 1 1 51 51 SER HB2 H 1 4.033 0.030 . 1 . . . . 51 SER HB2 . 10161 1 538 . 1 1 52 52 GLY N N 15 110.692 0.300 . 1 . . . . 52 GLY N . 10161 1 539 . 1 1 52 52 GLY H H 1 8.181 0.030 . 1 . . . . 52 GLY H . 10161 1 540 . 1 1 52 52 GLY CA C 13 44.862 0.300 . 1 . . . . 52 GLY CA . 10161 1 541 . 1 1 52 52 GLY HA3 H 1 4.444 0.030 . 2 . . . . 52 GLY HA3 . 10161 1 542 . 1 1 52 52 GLY C C 13 174.389 0.300 . 1 . . . . 52 GLY C . 10161 1 543 . 1 1 52 52 GLY HA2 H 1 3.634 0.030 . 2 . . . . 52 GLY HA2 . 10161 1 544 . 1 1 53 53 ALA N N 15 124.417 0.300 . 1 . . . . 53 ALA N . 10161 1 545 . 1 1 53 53 ALA H H 1 7.419 0.030 . 1 . . . . 53 ALA H . 10161 1 546 . 1 1 53 53 ALA CA C 13 52.538 0.300 . 1 . . . . 53 ALA CA . 10161 1 547 . 1 1 53 53 ALA HA H 1 4.373 0.030 . 1 . . . . 53 ALA HA . 10161 1 548 . 1 1 53 53 ALA CB C 13 19.207 0.300 . 1 . . . . 53 ALA CB . 10161 1 549 . 1 1 53 53 ALA HB1 H 1 1.402 0.030 . 1 . . . . 53 ALA HB . 10161 1 550 . 1 1 53 53 ALA HB2 H 1 1.402 0.030 . 1 . . . . 53 ALA HB . 10161 1 551 . 1 1 53 53 ALA HB3 H 1 1.402 0.030 . 1 . . . . 53 ALA HB . 10161 1 552 . 1 1 53 53 ALA C C 13 176.519 0.300 . 1 . . . . 53 ALA C . 10161 1 553 . 1 1 54 54 VAL N N 15 121.228 0.300 . 1 . . . . 54 VAL N . 10161 1 554 . 1 1 54 54 VAL H H 1 8.429 0.030 . 1 . . . . 54 VAL H . 10161 1 555 . 1 1 54 54 VAL CA C 13 60.672 0.300 . 1 . . . . 54 VAL CA . 10161 1 556 . 1 1 54 54 VAL HA H 1 4.980 0.030 . 1 . . . . 54 VAL HA . 10161 1 557 . 1 1 54 54 VAL CB C 13 33.933 0.300 . 1 . . . . 54 VAL CB . 10161 1 558 . 1 1 54 54 VAL HB H 1 1.804 0.030 . 1 . . . . 54 VAL HB . 10161 1 559 . 1 1 54 54 VAL CG1 C 13 20.792 0.300 . 2 . . . . 54 VAL CG1 . 10161 1 560 . 1 1 54 54 VAL HG11 H 1 0.602 0.030 . 1 . . . . 54 VAL HG1 . 10161 1 561 . 1 1 54 54 VAL HG12 H 1 0.602 0.030 . 1 . . . . 54 VAL HG1 . 10161 1 562 . 1 1 54 54 VAL HG13 H 1 0.602 0.030 . 1 . . . . 54 VAL HG1 . 10161 1 563 . 1 1 54 54 VAL CG2 C 13 21.617 0.300 . 2 . . . . 54 VAL CG2 . 10161 1 564 . 1 1 54 54 VAL HG21 H 1 0.686 0.030 . 1 . . . . 54 VAL HG2 . 10161 1 565 . 1 1 54 54 VAL HG22 H 1 0.686 0.030 . 1 . . . . 54 VAL HG2 . 10161 1 566 . 1 1 54 54 VAL HG23 H 1 0.686 0.030 . 1 . . . . 54 VAL HG2 . 10161 1 567 . 1 1 54 54 VAL C C 13 175.443 0.300 . 1 . . . . 54 VAL C . 10161 1 568 . 1 1 55 55 GLU N N 15 126.290 0.300 . 1 . . . . 55 GLU N . 10161 1 569 . 1 1 55 55 GLU H H 1 8.640 0.030 . 1 . . . . 55 GLU H . 10161 1 570 . 1 1 55 55 GLU CA C 13 54.306 0.300 . 1 . . . . 55 GLU CA . 10161 1 571 . 1 1 55 55 GLU HA H 1 4.754 0.030 . 1 . . . . 55 GLU HA . 10161 1 572 . 1 1 55 55 GLU CB C 13 33.612 0.300 . 1 . . . . 55 GLU CB . 10161 1 573 . 1 1 55 55 GLU HB3 H 1 2.081 0.030 . 2 . . . . 55 GLU HB3 . 10161 1 574 . 1 1 55 55 GLU CG C 13 36.178 0.300 . 1 . . . . 55 GLU CG . 10161 1 575 . 1 1 55 55 GLU HG3 H 1 2.336 0.030 . 1 . . . . 55 GLU HG3 . 10161 1 576 . 1 1 55 55 GLU C C 13 175.073 0.300 . 1 . . . . 55 GLU C . 10161 1 577 . 1 1 55 55 GLU HB2 H 1 1.928 0.030 . 2 . . . . 55 GLU HB2 . 10161 1 578 . 1 1 55 55 GLU HG2 H 1 2.336 0.030 . 1 . . . . 55 GLU HG2 . 10161 1 579 . 1 1 56 56 GLU N N 15 123.200 0.300 . 1 . . . . 56 GLU N . 10161 1 580 . 1 1 56 56 GLU H H 1 8.878 0.030 . 1 . . . . 56 GLU H . 10161 1 581 . 1 1 56 56 GLU CA C 13 56.966 0.300 . 1 . . . . 56 GLU CA . 10161 1 582 . 1 1 56 56 GLU HA H 1 4.479 0.030 . 1 . . . . 56 GLU HA . 10161 1 583 . 1 1 56 56 GLU CB C 13 30.258 0.300 . 1 . . . . 56 GLU CB . 10161 1 584 . 1 1 56 56 GLU HB3 H 1 2.140 0.030 . 2 . . . . 56 GLU HB3 . 10161 1 585 . 1 1 56 56 GLU CG C 13 36.407 0.300 . 1 . . . . 56 GLU CG . 10161 1 586 . 1 1 56 56 GLU HG3 H 1 2.406 0.030 . 1 . . . . 56 GLU HG3 . 10161 1 587 . 1 1 56 56 GLU C C 13 177.592 0.300 . 1 . . . . 56 GLU C . 10161 1 588 . 1 1 56 56 GLU HB2 H 1 2.029 0.030 . 2 . . . . 56 GLU HB2 . 10161 1 589 . 1 1 56 56 GLU HG2 H 1 2.406 0.030 . 1 . . . . 56 GLU HG2 . 10161 1 590 . 1 1 57 57 CYS N N 15 121.919 0.300 . 1 . . . . 57 CYS N . 10161 1 591 . 1 1 57 57 CYS H H 1 8.496 0.030 . 1 . . . . 57 CYS H . 10161 1 592 . 1 1 57 57 CYS CA C 13 59.030 0.300 . 1 . . . . 57 CYS CA . 10161 1 593 . 1 1 57 57 CYS HA H 1 4.690 0.030 . 1 . . . . 57 CYS HA . 10161 1 594 . 1 1 57 57 CYS CB C 13 29.620 0.300 . 1 . . . . 57 CYS CB . 10161 1 595 . 1 1 57 57 CYS HB3 H 1 2.908 0.030 . 2 . . . . 57 CYS HB3 . 10161 1 596 . 1 1 57 57 CYS C C 13 173.871 0.300 . 1 . . . . 57 CYS C . 10161 1 597 . 1 1 57 57 CYS HB2 H 1 2.473 0.030 . 2 . . . . 57 CYS HB2 . 10161 1 598 . 1 1 58 58 HIS N N 15 123.415 0.300 . 1 . . . . 58 HIS N . 10161 1 599 . 1 1 58 58 HIS H H 1 8.961 0.030 . 1 . . . . 58 HIS H . 10161 1 600 . 1 1 58 58 HIS CA C 13 56.751 0.300 . 1 . . . . 58 HIS CA . 10161 1 601 . 1 1 58 58 HIS HA H 1 4.725 0.030 . 1 . . . . 58 HIS HA . 10161 1 602 . 1 1 58 58 HIS CB C 13 31.813 0.300 . 1 . . . . 58 HIS CB . 10161 1 603 . 1 1 58 58 HIS HB3 H 1 3.089 0.030 . 1 . . . . 58 HIS HB3 . 10161 1 604 . 1 1 58 58 HIS CD2 C 13 119.337 0.300 . 1 . . . . 58 HIS CD2 . 10161 1 605 . 1 1 58 58 HIS HD2 H 1 7.002 0.030 . 1 . . . . 58 HIS HD2 . 10161 1 606 . 1 1 58 58 HIS CE1 C 13 138.463 0.300 . 1 . . . . 58 HIS CE1 . 10161 1 607 . 1 1 58 58 HIS HE1 H 1 7.760 0.030 . 1 . . . . 58 HIS HE1 . 10161 1 608 . 1 1 58 58 HIS C C 13 174.903 0.300 . 1 . . . . 58 HIS C . 10161 1 609 . 1 1 58 58 HIS HB2 H 1 3.089 0.030 . 1 . . . . 58 HIS HB2 . 10161 1 610 . 1 1 59 59 VAL N N 15 128.900 0.300 . 1 . . . . 59 VAL N . 10161 1 611 . 1 1 59 59 VAL H H 1 8.521 0.030 . 1 . . . . 59 VAL H . 10161 1 612 . 1 1 59 59 VAL CA C 13 61.131 0.300 . 1 . . . . 59 VAL CA . 10161 1 613 . 1 1 59 59 VAL HA H 1 5.142 0.030 . 1 . . . . 59 VAL HA . 10161 1 614 . 1 1 59 59 VAL CB C 13 33.825 0.300 . 1 . . . . 59 VAL CB . 10161 1 615 . 1 1 59 59 VAL HB H 1 1.994 0.030 . 1 . . . . 59 VAL HB . 10161 1 616 . 1 1 59 59 VAL CG1 C 13 21.962 0.300 . 1 . . . . 59 VAL CG1 . 10161 1 617 . 1 1 59 59 VAL HG11 H 1 0.885 0.030 . 1 . . . . 59 VAL HG1 . 10161 1 618 . 1 1 59 59 VAL HG12 H 1 0.885 0.030 . 1 . . . . 59 VAL HG1 . 10161 1 619 . 1 1 59 59 VAL HG13 H 1 0.885 0.030 . 1 . . . . 59 VAL HG1 . 10161 1 620 . 1 1 59 59 VAL CG2 C 13 21.962 0.300 . 1 . . . . 59 VAL CG2 . 10161 1 621 . 1 1 59 59 VAL HG21 H 1 0.887 0.030 . 1 . . . . 59 VAL HG2 . 10161 1 622 . 1 1 59 59 VAL HG22 H 1 0.887 0.030 . 1 . . . . 59 VAL HG2 . 10161 1 623 . 1 1 59 59 VAL HG23 H 1 0.887 0.030 . 1 . . . . 59 VAL HG2 . 10161 1 624 . 1 1 59 59 VAL C C 13 175.539 0.300 . 1 . . . . 59 VAL C . 10161 1 625 . 1 1 60 60 SER N N 15 120.428 0.300 . 1 . . . . 60 SER N . 10161 1 626 . 1 1 60 60 SER H H 1 8.995 0.030 . 1 . . . . 60 SER H . 10161 1 627 . 1 1 60 60 SER CA C 13 56.782 0.300 . 1 . . . . 60 SER CA . 10161 1 628 . 1 1 60 60 SER HA H 1 4.823 0.030 . 1 . . . . 60 SER HA . 10161 1 629 . 1 1 60 60 SER CB C 13 65.880 0.300 . 1 . . . . 60 SER CB . 10161 1 630 . 1 1 60 60 SER HB3 H 1 3.764 0.030 . 1 . . . . 60 SER HB3 . 10161 1 631 . 1 1 60 60 SER C C 13 172.353 0.300 . 1 . . . . 60 SER C . 10161 1 632 . 1 1 60 60 SER HB2 H 1 3.764 0.030 . 1 . . . . 60 SER HB2 . 10161 1 633 . 1 1 61 61 GLU N N 15 125.163 0.300 . 1 . . . . 61 GLU N . 10161 1 634 . 1 1 61 61 GLU H H 1 8.894 0.030 . 1 . . . . 61 GLU H . 10161 1 635 . 1 1 61 61 GLU CA C 13 57.081 0.300 . 1 . . . . 61 GLU CA . 10161 1 636 . 1 1 61 61 GLU HA H 1 3.545 0.030 . 1 . . . . 61 GLU HA . 10161 1 637 . 1 1 61 61 GLU CB C 13 30.675 0.300 . 1 . . . . 61 GLU CB . 10161 1 638 . 1 1 61 61 GLU HB3 H 1 1.859 0.030 . 2 . . . . 61 GLU HB3 . 10161 1 639 . 1 1 61 61 GLU CG C 13 36.865 0.300 . 1 . . . . 61 GLU CG . 10161 1 640 . 1 1 61 61 GLU HG3 H 1 1.755 0.030 . 2 . . . . 61 GLU HG3 . 10161 1 641 . 1 1 61 61 GLU C C 13 176.353 0.300 . 1 . . . . 61 GLU C . 10161 1 642 . 1 1 61 61 GLU HB2 H 1 1.703 0.030 . 2 . . . . 61 GLU HB2 . 10161 1 643 . 1 1 61 61 GLU HG2 H 1 1.626 0.030 . 2 . . . . 61 GLU HG2 . 10161 1 644 . 1 1 62 62 LEU N N 15 129.563 0.300 . 1 . . . . 62 LEU N . 10161 1 645 . 1 1 62 62 LEU H H 1 8.800 0.030 . 1 . . . . 62 LEU H . 10161 1 646 . 1 1 62 62 LEU CA C 13 56.462 0.300 . 1 . . . . 62 LEU CA . 10161 1 647 . 1 1 62 62 LEU HA H 1 4.341 0.030 . 1 . . . . 62 LEU HA . 10161 1 648 . 1 1 62 62 LEU CB C 13 44.020 0.300 . 1 . . . . 62 LEU CB . 10161 1 649 . 1 1 62 62 LEU HB3 H 1 1.561 0.030 . 2 . . . . 62 LEU HB3 . 10161 1 650 . 1 1 62 62 LEU CG C 13 26.875 0.300 . 1 . . . . 62 LEU CG . 10161 1 651 . 1 1 62 62 LEU HG H 1 1.567 0.030 . 1 . . . . 62 LEU HG . 10161 1 652 . 1 1 62 62 LEU CD1 C 13 25.238 0.300 . 2 . . . . 62 LEU CD1 . 10161 1 653 . 1 1 62 62 LEU HD11 H 1 0.810 0.030 . 1 . . . . 62 LEU HD1 . 10161 1 654 . 1 1 62 62 LEU HD12 H 1 0.810 0.030 . 1 . . . . 62 LEU HD1 . 10161 1 655 . 1 1 62 62 LEU HD13 H 1 0.810 0.030 . 1 . . . . 62 LEU HD1 . 10161 1 656 . 1 1 62 62 LEU CD2 C 13 22.865 0.300 . 2 . . . . 62 LEU CD2 . 10161 1 657 . 1 1 62 62 LEU HD21 H 1 0.811 0.030 . 1 . . . . 62 LEU HD2 . 10161 1 658 . 1 1 62 62 LEU HD22 H 1 0.811 0.030 . 1 . . . . 62 LEU HD2 . 10161 1 659 . 1 1 62 62 LEU HD23 H 1 0.811 0.030 . 1 . . . . 62 LEU HD2 . 10161 1 660 . 1 1 62 62 LEU C C 13 176.662 0.300 . 1 . . . . 62 LEU C . 10161 1 661 . 1 1 62 62 LEU HB2 H 1 1.442 0.030 . 2 . . . . 62 LEU HB2 . 10161 1 662 . 1 1 63 63 GLU N N 15 117.143 0.300 . 1 . . . . 63 GLU N . 10161 1 663 . 1 1 63 63 GLU H H 1 8.292 0.030 . 1 . . . . 63 GLU H . 10161 1 664 . 1 1 63 63 GLU CA C 13 53.777 0.300 . 1 . . . . 63 GLU CA . 10161 1 665 . 1 1 63 63 GLU HA H 1 4.655 0.030 . 1 . . . . 63 GLU HA . 10161 1 666 . 1 1 63 63 GLU CB C 13 29.768 0.300 . 1 . . . . 63 GLU CB . 10161 1 667 . 1 1 63 63 GLU HB3 H 1 2.318 0.030 . 2 . . . . 63 GLU HB3 . 10161 1 668 . 1 1 63 63 GLU CG C 13 35.997 0.300 . 1 . . . . 63 GLU CG . 10161 1 669 . 1 1 63 63 GLU HG3 H 1 1.983 0.030 . 2 . . . . 63 GLU HG3 . 10161 1 670 . 1 1 63 63 GLU C C 13 172.058 0.300 . 1 . . . . 63 GLU C . 10161 1 671 . 1 1 63 63 GLU HB2 H 1 1.879 0.030 . 2 . . . . 63 GLU HB2 . 10161 1 672 . 1 1 63 63 GLU HG2 H 1 2.158 0.030 . 2 . . . . 63 GLU HG2 . 10161 1 673 . 1 1 64 64 PRO CA C 13 65.767 0.300 . 1 . . . . 64 PRO CA . 10161 1 674 . 1 1 64 64 PRO HA H 1 4.227 0.030 . 1 . . . . 64 PRO HA . 10161 1 675 . 1 1 64 64 PRO CB C 13 31.005 0.300 . 1 . . . . 64 PRO CB . 10161 1 676 . 1 1 64 64 PRO HB3 H 1 2.304 0.030 . 2 . . . . 64 PRO HB3 . 10161 1 677 . 1 1 64 64 PRO CG C 13 28.176 0.300 . 1 . . . . 64 PRO CG . 10161 1 678 . 1 1 64 64 PRO HG3 H 1 2.147 0.030 . 2 . . . . 64 PRO HG3 . 10161 1 679 . 1 1 64 64 PRO CD C 13 49.717 0.300 . 1 . . . . 64 PRO CD . 10161 1 680 . 1 1 64 64 PRO HD3 H 1 3.760 0.030 . 2 . . . . 64 PRO HD3 . 10161 1 681 . 1 1 64 64 PRO C C 13 177.068 0.300 . 1 . . . . 64 PRO C . 10161 1 682 . 1 1 64 64 PRO HB2 H 1 1.829 0.030 . 2 . . . . 64 PRO HB2 . 10161 1 683 . 1 1 64 64 PRO HD2 H 1 3.595 0.030 . 2 . . . . 64 PRO HD2 . 10161 1 684 . 1 1 64 64 PRO HG2 H 1 1.972 0.030 . 2 . . . . 64 PRO HG2 . 10161 1 685 . 1 1 65 65 ASP N N 15 118.425 0.300 . 1 . . . . 65 ASP N . 10161 1 686 . 1 1 65 65 ASP H H 1 8.965 0.030 . 1 . . . . 65 ASP H . 10161 1 687 . 1 1 65 65 ASP CA C 13 55.827 0.300 . 1 . . . . 65 ASP CA . 10161 1 688 . 1 1 65 65 ASP HA H 1 4.589 0.030 . 1 . . . . 65 ASP HA . 10161 1 689 . 1 1 65 65 ASP CB C 13 43.713 0.300 . 1 . . . . 65 ASP CB . 10161 1 690 . 1 1 65 65 ASP HB3 H 1 3.071 0.030 . 2 . . . . 65 ASP HB3 . 10161 1 691 . 1 1 65 65 ASP C C 13 174.921 0.300 . 1 . . . . 65 ASP C . 10161 1 692 . 1 1 65 65 ASP HB2 H 1 2.692 0.030 . 2 . . . . 65 ASP HB2 . 10161 1 693 . 1 1 66 66 LYS N N 15 120.940 0.300 . 1 . . . . 66 LYS N . 10161 1 694 . 1 1 66 66 LYS H H 1 8.476 0.030 . 1 . . . . 66 LYS H . 10161 1 695 . 1 1 66 66 LYS CA C 13 55.938 0.300 . 1 . . . . 66 LYS CA . 10161 1 696 . 1 1 66 66 LYS HA H 1 5.476 0.030 . 1 . . . . 66 LYS HA . 10161 1 697 . 1 1 66 66 LYS CB C 13 36.812 0.300 . 1 . . . . 66 LYS CB . 10161 1 698 . 1 1 66 66 LYS HB3 H 1 1.591 0.030 . 2 . . . . 66 LYS HB3 . 10161 1 699 . 1 1 66 66 LYS CG C 13 25.674 0.300 . 1 . . . . 66 LYS CG . 10161 1 700 . 1 1 66 66 LYS HG3 H 1 1.273 0.030 . 2 . . . . 66 LYS HG3 . 10161 1 701 . 1 1 66 66 LYS CD C 13 29.920 0.300 . 1 . . . . 66 LYS CD . 10161 1 702 . 1 1 66 66 LYS HD3 H 1 1.563 0.030 . 1 . . . . 66 LYS HD3 . 10161 1 703 . 1 1 66 66 LYS CE C 13 42.065 0.300 . 1 . . . . 66 LYS CE . 10161 1 704 . 1 1 66 66 LYS HE3 H 1 2.812 0.030 . 2 . . . . 66 LYS HE3 . 10161 1 705 . 1 1 66 66 LYS C C 13 173.912 0.300 . 1 . . . . 66 LYS C . 10161 1 706 . 1 1 66 66 LYS HB2 H 1 1.662 0.030 . 2 . . . . 66 LYS HB2 . 10161 1 707 . 1 1 66 66 LYS HD2 H 1 1.563 0.030 . 1 . . . . 66 LYS HD2 . 10161 1 708 . 1 1 66 66 LYS HE2 H 1 2.706 0.030 . 2 . . . . 66 LYS HE2 . 10161 1 709 . 1 1 66 66 LYS HG2 H 1 1.203 0.030 . 2 . . . . 66 LYS HG2 . 10161 1 710 . 1 1 67 67 TYR N N 15 126.047 0.300 . 1 . . . . 67 TYR N . 10161 1 711 . 1 1 67 67 TYR H H 1 9.291 0.030 . 1 . . . . 67 TYR H . 10161 1 712 . 1 1 67 67 TYR CA C 13 56.589 0.300 . 1 . . . . 67 TYR CA . 10161 1 713 . 1 1 67 67 TYR HA H 1 5.136 0.030 . 1 . . . . 67 TYR HA . 10161 1 714 . 1 1 67 67 TYR CB C 13 41.933 0.300 . 1 . . . . 67 TYR CB . 10161 1 715 . 1 1 67 67 TYR HB3 H 1 2.703 0.030 . 2 . . . . 67 TYR HB3 . 10161 1 716 . 1 1 67 67 TYR CD1 C 13 132.110 0.300 . 1 . . . . 67 TYR CD1 . 10161 1 717 . 1 1 67 67 TYR HD1 H 1 6.827 0.030 . 1 . . . . 67 TYR HD1 . 10161 1 718 . 1 1 67 67 TYR CD2 C 13 132.110 0.300 . 1 . . . . 67 TYR CD2 . 10161 1 719 . 1 1 67 67 TYR HD2 H 1 6.827 0.030 . 1 . . . . 67 TYR HD2 . 10161 1 720 . 1 1 67 67 TYR CE1 C 13 118.648 0.300 . 1 . . . . 67 TYR CE1 . 10161 1 721 . 1 1 67 67 TYR HE1 H 1 6.857 0.030 . 1 . . . . 67 TYR HE1 . 10161 1 722 . 1 1 67 67 TYR CE2 C 13 118.648 0.300 . 1 . . . . 67 TYR CE2 . 10161 1 723 . 1 1 67 67 TYR HE2 H 1 6.857 0.030 . 1 . . . . 67 TYR HE2 . 10161 1 724 . 1 1 67 67 TYR C C 13 174.424 0.300 . 1 . . . . 67 TYR C . 10161 1 725 . 1 1 67 67 TYR HB2 H 1 2.527 0.030 . 2 . . . . 67 TYR HB2 . 10161 1 726 . 1 1 68 68 ALA N N 15 123.234 0.300 . 1 . . . . 68 ALA N . 10161 1 727 . 1 1 68 68 ALA H H 1 9.393 0.030 . 1 . . . . 68 ALA H . 10161 1 728 . 1 1 68 68 ALA CA C 13 50.620 0.300 . 1 . . . . 68 ALA CA . 10161 1 729 . 1 1 68 68 ALA HA H 1 5.002 0.030 . 1 . . . . 68 ALA HA . 10161 1 730 . 1 1 68 68 ALA CB C 13 21.211 0.300 . 1 . . . . 68 ALA CB . 10161 1 731 . 1 1 68 68 ALA HB1 H 1 1.310 0.030 . 1 . . . . 68 ALA HB . 10161 1 732 . 1 1 68 68 ALA HB2 H 1 1.310 0.030 . 1 . . . . 68 ALA HB . 10161 1 733 . 1 1 68 68 ALA HB3 H 1 1.310 0.030 . 1 . . . . 68 ALA HB . 10161 1 734 . 1 1 68 68 ALA C C 13 176.258 0.300 . 1 . . . . 68 ALA C . 10161 1 735 . 1 1 69 69 VAL N N 15 121.910 0.300 . 1 . . . . 69 VAL N . 10161 1 736 . 1 1 69 69 VAL H H 1 8.412 0.030 . 1 . . . . 69 VAL H . 10161 1 737 . 1 1 69 69 VAL CA C 13 61.147 0.300 . 1 . . . . 69 VAL CA . 10161 1 738 . 1 1 69 69 VAL HA H 1 4.587 0.030 . 1 . . . . 69 VAL HA . 10161 1 739 . 1 1 69 69 VAL CB C 13 32.409 0.300 . 1 . . . . 69 VAL CB . 10161 1 740 . 1 1 69 69 VAL HB H 1 0.345 0.030 . 1 . . . . 69 VAL HB . 10161 1 741 . 1 1 69 69 VAL CG1 C 13 23.412 0.300 . 2 . . . . 69 VAL CG1 . 10161 1 742 . 1 1 69 69 VAL HG11 H 1 0.509 0.030 . 1 . . . . 69 VAL HG1 . 10161 1 743 . 1 1 69 69 VAL HG12 H 1 0.509 0.030 . 1 . . . . 69 VAL HG1 . 10161 1 744 . 1 1 69 69 VAL HG13 H 1 0.509 0.030 . 1 . . . . 69 VAL HG1 . 10161 1 745 . 1 1 69 69 VAL CG2 C 13 20.723 0.300 . 2 . . . . 69 VAL CG2 . 10161 1 746 . 1 1 69 69 VAL HG21 H 1 0.488 0.030 . 1 . . . . 69 VAL HG2 . 10161 1 747 . 1 1 69 69 VAL HG22 H 1 0.488 0.030 . 1 . . . . 69 VAL HG2 . 10161 1 748 . 1 1 69 69 VAL HG23 H 1 0.488 0.030 . 1 . . . . 69 VAL HG2 . 10161 1 749 . 1 1 69 69 VAL C C 13 174.300 0.300 . 1 . . . . 69 VAL C . 10161 1 750 . 1 1 70 70 ARG N N 15 125.218 0.300 . 1 . . . . 70 ARG N . 10161 1 751 . 1 1 70 70 ARG H H 1 8.926 0.030 . 1 . . . . 70 ARG H . 10161 1 752 . 1 1 70 70 ARG CA C 13 54.404 0.300 . 1 . . . . 70 ARG CA . 10161 1 753 . 1 1 70 70 ARG HA H 1 5.665 0.030 . 1 . . . . 70 ARG HA . 10161 1 754 . 1 1 70 70 ARG CB C 13 34.966 0.300 . 1 . . . . 70 ARG CB . 10161 1 755 . 1 1 70 70 ARG HB3 H 1 1.840 0.030 . 2 . . . . 70 ARG HB3 . 10161 1 756 . 1 1 70 70 ARG CG C 13 27.601 0.300 . 1 . . . . 70 ARG CG . 10161 1 757 . 1 1 70 70 ARG HG3 H 1 1.500 0.030 . 2 . . . . 70 ARG HG3 . 10161 1 758 . 1 1 70 70 ARG CD C 13 43.811 0.300 . 1 . . . . 70 ARG CD . 10161 1 759 . 1 1 70 70 ARG HD3 H 1 3.052 0.030 . 1 . . . . 70 ARG HD3 . 10161 1 760 . 1 1 70 70 ARG C C 13 175.124 0.300 . 1 . . . . 70 ARG C . 10161 1 761 . 1 1 70 70 ARG HB2 H 1 1.710 0.030 . 2 . . . . 70 ARG HB2 . 10161 1 762 . 1 1 70 70 ARG HD2 H 1 3.052 0.030 . 1 . . . . 70 ARG HD2 . 10161 1 763 . 1 1 70 70 ARG HG2 H 1 1.558 0.030 . 2 . . . . 70 ARG HG2 . 10161 1 764 . 1 1 71 71 PHE N N 15 120.657 0.300 . 1 . . . . 71 PHE N . 10161 1 765 . 1 1 71 71 PHE H H 1 8.780 0.030 . 1 . . . . 71 PHE H . 10161 1 766 . 1 1 71 71 PHE CA C 13 55.969 0.300 . 1 . . . . 71 PHE CA . 10161 1 767 . 1 1 71 71 PHE HA H 1 5.082 0.030 . 1 . . . . 71 PHE HA . 10161 1 768 . 1 1 71 71 PHE CB C 13 41.335 0.300 . 1 . . . . 71 PHE CB . 10161 1 769 . 1 1 71 71 PHE HB3 H 1 3.389 0.030 . 2 . . . . 71 PHE HB3 . 10161 1 770 . 1 1 71 71 PHE CD1 C 13 132.429 0.300 . 1 . . . . 71 PHE CD1 . 10161 1 771 . 1 1 71 71 PHE HD1 H 1 6.893 0.030 . 1 . . . . 71 PHE HD1 . 10161 1 772 . 1 1 71 71 PHE CD2 C 13 132.429 0.300 . 1 . . . . 71 PHE CD2 . 10161 1 773 . 1 1 71 71 PHE HD2 H 1 6.893 0.030 . 1 . . . . 71 PHE HD2 . 10161 1 774 . 1 1 71 71 PHE CE1 C 13 130.044 0.300 . 1 . . . . 71 PHE CE1 . 10161 1 775 . 1 1 71 71 PHE HE1 H 1 6.791 0.030 . 1 . . . . 71 PHE HE1 . 10161 1 776 . 1 1 71 71 PHE CE2 C 13 130.044 0.300 . 1 . . . . 71 PHE CE2 . 10161 1 777 . 1 1 71 71 PHE HE2 H 1 6.791 0.030 . 1 . . . . 71 PHE HE2 . 10161 1 778 . 1 1 71 71 PHE CZ C 13 128.919 0.300 . 1 . . . . 71 PHE CZ . 10161 1 779 . 1 1 71 71 PHE HZ H 1 6.721 0.030 . 1 . . . . 71 PHE HZ . 10161 1 780 . 1 1 71 71 PHE C C 13 171.920 0.300 . 1 . . . . 71 PHE C . 10161 1 781 . 1 1 71 71 PHE HB2 H 1 3.081 0.030 . 2 . . . . 71 PHE HB2 . 10161 1 782 . 1 1 72 72 ILE N N 15 120.347 0.300 . 1 . . . . 72 ILE N . 10161 1 783 . 1 1 72 72 ILE H H 1 8.714 0.030 . 1 . . . . 72 ILE H . 10161 1 784 . 1 1 72 72 ILE CA C 13 57.669 0.300 . 1 . . . . 72 ILE CA . 10161 1 785 . 1 1 72 72 ILE HA H 1 4.469 0.030 . 1 . . . . 72 ILE HA . 10161 1 786 . 1 1 72 72 ILE CB C 13 39.824 0.300 . 1 . . . . 72 ILE CB . 10161 1 787 . 1 1 72 72 ILE HB H 1 1.720 0.030 . 1 . . . . 72 ILE HB . 10161 1 788 . 1 1 72 72 ILE CG1 C 13 27.740 0.300 . 1 . . . . 72 ILE CG1 . 10161 1 789 . 1 1 72 72 ILE HG13 H 1 0.595 0.030 . 2 . . . . 72 ILE HG13 . 10161 1 790 . 1 1 72 72 ILE CG2 C 13 17.171 0.300 . 1 . . . . 72 ILE CG2 . 10161 1 791 . 1 1 72 72 ILE HG21 H 1 0.476 0.030 . 1 . . . . 72 ILE HG2 . 10161 1 792 . 1 1 72 72 ILE HG22 H 1 0.476 0.030 . 1 . . . . 72 ILE HG2 . 10161 1 793 . 1 1 72 72 ILE HG23 H 1 0.476 0.030 . 1 . . . . 72 ILE HG2 . 10161 1 794 . 1 1 72 72 ILE CD1 C 13 13.469 0.300 . 1 . . . . 72 ILE CD1 . 10161 1 795 . 1 1 72 72 ILE HD11 H 1 0.816 0.030 . 1 . . . . 72 ILE HD1 . 10161 1 796 . 1 1 72 72 ILE HD12 H 1 0.816 0.030 . 1 . . . . 72 ILE HD1 . 10161 1 797 . 1 1 72 72 ILE HD13 H 1 0.816 0.030 . 1 . . . . 72 ILE HD1 . 10161 1 798 . 1 1 72 72 ILE C C 13 173.612 0.300 . 1 . . . . 72 ILE C . 10161 1 799 . 1 1 72 72 ILE HG12 H 1 1.450 0.030 . 2 . . . . 72 ILE HG12 . 10161 1 800 . 1 1 73 73 PRO CA C 13 62.050 0.300 . 1 . . . . 73 PRO CA . 10161 1 801 . 1 1 73 73 PRO HA H 1 4.493 0.030 . 1 . . . . 73 PRO HA . 10161 1 802 . 1 1 73 73 PRO CB C 13 33.680 0.300 . 1 . . . . 73 PRO CB . 10161 1 803 . 1 1 73 73 PRO HB3 H 1 1.843 0.030 . 2 . . . . 73 PRO HB3 . 10161 1 804 . 1 1 73 73 PRO CG C 13 27.339 0.300 . 1 . . . . 73 PRO CG . 10161 1 805 . 1 1 73 73 PRO HG3 H 1 1.502 0.030 . 2 . . . . 73 PRO HG3 . 10161 1 806 . 1 1 73 73 PRO CD C 13 50.640 0.300 . 1 . . . . 73 PRO CD . 10161 1 807 . 1 1 73 73 PRO HD3 H 1 3.190 0.030 . 2 . . . . 73 PRO HD3 . 10161 1 808 . 1 1 73 73 PRO C C 13 176.990 0.300 . 1 . . . . 73 PRO C . 10161 1 809 . 1 1 73 73 PRO HB2 H 1 1.767 0.030 . 2 . . . . 73 PRO HB2 . 10161 1 810 . 1 1 73 73 PRO HD2 H 1 4.065 0.030 . 2 . . . . 73 PRO HD2 . 10161 1 811 . 1 1 73 73 PRO HG2 H 1 2.025 0.030 . 2 . . . . 73 PRO HG2 . 10161 1 812 . 1 1 74 74 HIS N N 15 119.655 0.300 . 1 . . . . 74 HIS N . 10161 1 813 . 1 1 74 74 HIS H H 1 10.240 0.030 . 1 . . . . 74 HIS H . 10161 1 814 . 1 1 74 74 HIS CA C 13 54.660 0.300 . 1 . . . . 74 HIS CA . 10161 1 815 . 1 1 74 74 HIS HA H 1 5.035 0.030 . 1 . . . . 74 HIS HA . 10161 1 816 . 1 1 74 74 HIS CB C 13 30.530 0.300 . 1 . . . . 74 HIS CB . 10161 1 817 . 1 1 74 74 HIS HB3 H 1 3.498 0.030 . 2 . . . . 74 HIS HB3 . 10161 1 818 . 1 1 74 74 HIS CD2 C 13 121.286 0.300 . 1 . . . . 74 HIS CD2 . 10161 1 819 . 1 1 74 74 HIS HD2 H 1 7.401 0.030 . 1 . . . . 74 HIS HD2 . 10161 1 820 . 1 1 74 74 HIS CE1 C 13 136.679 0.300 . 1 . . . . 74 HIS CE1 . 10161 1 821 . 1 1 74 74 HIS HE1 H 1 8.477 0.030 . 1 . . . . 74 HIS HE1 . 10161 1 822 . 1 1 74 74 HIS C C 13 173.624 0.300 . 1 . . . . 74 HIS C . 10161 1 823 . 1 1 74 74 HIS HB2 H 1 3.270 0.030 . 2 . . . . 74 HIS HB2 . 10161 1 824 . 1 1 75 75 GLU N N 15 118.178 0.300 . 1 . . . . 75 GLU N . 10161 1 825 . 1 1 75 75 GLU H H 1 7.772 0.030 . 1 . . . . 75 GLU H . 10161 1 826 . 1 1 75 75 GLU CA C 13 54.166 0.300 . 1 . . . . 75 GLU CA . 10161 1 827 . 1 1 75 75 GLU HA H 1 4.654 0.030 . 1 . . . . 75 GLU HA . 10161 1 828 . 1 1 75 75 GLU CB C 13 33.422 0.300 . 1 . . . . 75 GLU CB . 10161 1 829 . 1 1 75 75 GLU HB3 H 1 2.203 0.030 . 2 . . . . 75 GLU HB3 . 10161 1 830 . 1 1 75 75 GLU CG C 13 35.194 0.300 . 1 . . . . 75 GLU CG . 10161 1 831 . 1 1 75 75 GLU HG3 H 1 2.199 0.030 . 2 . . . . 75 GLU HG3 . 10161 1 832 . 1 1 75 75 GLU C C 13 173.599 0.300 . 1 . . . . 75 GLU C . 10161 1 833 . 1 1 75 75 GLU HB2 H 1 2.017 0.030 . 2 . . . . 75 GLU HB2 . 10161 1 834 . 1 1 75 75 GLU HG2 H 1 2.348 0.030 . 2 . . . . 75 GLU HG2 . 10161 1 835 . 1 1 76 76 ASN N N 15 116.760 0.300 . 1 . . . . 76 ASN N . 10161 1 836 . 1 1 76 76 ASN H H 1 8.530 0.030 . 1 . . . . 76 ASN H . 10161 1 837 . 1 1 76 76 ASN CA C 13 53.486 0.300 . 1 . . . . 76 ASN CA . 10161 1 838 . 1 1 76 76 ASN HA H 1 4.606 0.030 . 1 . . . . 76 ASN HA . 10161 1 839 . 1 1 76 76 ASN CB C 13 40.184 0.300 . 1 . . . . 76 ASN CB . 10161 1 840 . 1 1 76 76 ASN HB3 H 1 2.687 0.030 . 2 . . . . 76 ASN HB3 . 10161 1 841 . 1 1 76 76 ASN ND2 N 15 111.914 0.300 . 1 . . . . 76 ASN ND2 . 10161 1 842 . 1 1 76 76 ASN HD21 H 1 7.441 0.030 . 2 . . . . 76 ASN HD21 . 10161 1 843 . 1 1 76 76 ASN HD22 H 1 6.797 0.030 . 2 . . . . 76 ASN HD22 . 10161 1 844 . 1 1 76 76 ASN C C 13 175.598 0.300 . 1 . . . . 76 ASN C . 10161 1 845 . 1 1 76 76 ASN HB2 H 1 2.654 0.030 . 2 . . . . 76 ASN HB2 . 10161 1 846 . 1 1 77 77 GLY N N 15 106.497 0.300 . 1 . . . . 77 GLY N . 10161 1 847 . 1 1 77 77 GLY H H 1 9.152 0.030 . 1 . . . . 77 GLY H . 10161 1 848 . 1 1 77 77 GLY CA C 13 43.752 0.300 . 1 . . . . 77 GLY CA . 10161 1 849 . 1 1 77 77 GLY HA3 H 1 4.797 0.030 . 2 . . . . 77 GLY HA3 . 10161 1 850 . 1 1 77 77 GLY C C 13 176.329 0.300 . 1 . . . . 77 GLY C . 10161 1 851 . 1 1 77 77 GLY HA2 H 1 3.897 0.030 . 2 . . . . 77 GLY HA2 . 10161 1 852 . 1 1 78 78 VAL N N 15 124.582 0.300 . 1 . . . . 78 VAL N . 10161 1 853 . 1 1 78 78 VAL H H 1 9.334 0.030 . 1 . . . . 78 VAL H . 10161 1 854 . 1 1 78 78 VAL CA C 13 64.642 0.300 . 1 . . . . 78 VAL CA . 10161 1 855 . 1 1 78 78 VAL HA H 1 4.399 0.030 . 1 . . . . 78 VAL HA . 10161 1 856 . 1 1 78 78 VAL CB C 13 31.464 0.300 . 1 . . . . 78 VAL CB . 10161 1 857 . 1 1 78 78 VAL HB H 1 2.024 0.030 . 1 . . . . 78 VAL HB . 10161 1 858 . 1 1 78 78 VAL CG1 C 13 21.379 0.300 . 2 . . . . 78 VAL CG1 . 10161 1 859 . 1 1 78 78 VAL HG11 H 1 0.836 0.030 . 1 . . . . 78 VAL HG1 . 10161 1 860 . 1 1 78 78 VAL HG12 H 1 0.836 0.030 . 1 . . . . 78 VAL HG1 . 10161 1 861 . 1 1 78 78 VAL HG13 H 1 0.836 0.030 . 1 . . . . 78 VAL HG1 . 10161 1 862 . 1 1 78 78 VAL CG2 C 13 21.918 0.300 . 2 . . . . 78 VAL CG2 . 10161 1 863 . 1 1 78 78 VAL HG21 H 1 0.997 0.030 . 1 . . . . 78 VAL HG2 . 10161 1 864 . 1 1 78 78 VAL HG22 H 1 0.997 0.030 . 1 . . . . 78 VAL HG2 . 10161 1 865 . 1 1 78 78 VAL HG23 H 1 0.997 0.030 . 1 . . . . 78 VAL HG2 . 10161 1 866 . 1 1 78 78 VAL C C 13 176.269 0.300 . 1 . . . . 78 VAL C . 10161 1 867 . 1 1 79 79 HIS N N 15 129.160 0.300 . 1 . . . . 79 HIS N . 10161 1 868 . 1 1 79 79 HIS H H 1 9.854 0.030 . 1 . . . . 79 HIS H . 10161 1 869 . 1 1 79 79 HIS CA C 13 55.150 0.300 . 1 . . . . 79 HIS CA . 10161 1 870 . 1 1 79 79 HIS HA H 1 4.921 0.030 . 1 . . . . 79 HIS HA . 10161 1 871 . 1 1 79 79 HIS CB C 13 30.772 0.300 . 1 . . . . 79 HIS CB . 10161 1 872 . 1 1 79 79 HIS HB3 H 1 2.796 0.030 . 1 . . . . 79 HIS HB3 . 10161 1 873 . 1 1 79 79 HIS CD2 C 13 127.744 0.300 . 1 . . . . 79 HIS CD2 . 10161 1 874 . 1 1 79 79 HIS HD2 H 1 6.694 0.030 . 1 . . . . 79 HIS HD2 . 10161 1 875 . 1 1 79 79 HIS CE1 C 13 140.130 0.300 . 1 . . . . 79 HIS CE1 . 10161 1 876 . 1 1 79 79 HIS HE1 H 1 7.953 0.030 . 1 . . . . 79 HIS HE1 . 10161 1 877 . 1 1 79 79 HIS C C 13 174.062 0.300 . 1 . . . . 79 HIS C . 10161 1 878 . 1 1 79 79 HIS HB2 H 1 2.796 0.030 . 1 . . . . 79 HIS HB2 . 10161 1 879 . 1 1 80 80 THR N N 15 116.006 0.300 . 1 . . . . 80 THR N . 10161 1 880 . 1 1 80 80 THR H H 1 8.526 0.030 . 1 . . . . 80 THR H . 10161 1 881 . 1 1 80 80 THR CA C 13 60.983 0.300 . 1 . . . . 80 THR CA . 10161 1 882 . 1 1 80 80 THR HA H 1 5.380 0.030 . 1 . . . . 80 THR HA . 10161 1 883 . 1 1 80 80 THR CB C 13 70.590 0.300 . 1 . . . . 80 THR CB . 10161 1 884 . 1 1 80 80 THR HB H 1 3.868 0.030 . 1 . . . . 80 THR HB . 10161 1 885 . 1 1 80 80 THR CG2 C 13 22.237 0.300 . 1 . . . . 80 THR CG2 . 10161 1 886 . 1 1 80 80 THR HG21 H 1 1.044 0.030 . 1 . . . . 80 THR HG2 . 10161 1 887 . 1 1 80 80 THR HG22 H 1 1.044 0.030 . 1 . . . . 80 THR HG2 . 10161 1 888 . 1 1 80 80 THR HG23 H 1 1.044 0.030 . 1 . . . . 80 THR HG2 . 10161 1 889 . 1 1 80 80 THR C C 13 173.671 0.300 . 1 . . . . 80 THR C . 10161 1 890 . 1 1 81 81 ILE N N 15 127.414 0.300 . 1 . . . . 81 ILE N . 10161 1 891 . 1 1 81 81 ILE H H 1 9.745 0.030 . 1 . . . . 81 ILE H . 10161 1 892 . 1 1 81 81 ILE CA C 13 60.037 0.300 . 1 . . . . 81 ILE CA . 10161 1 893 . 1 1 81 81 ILE HA H 1 4.867 0.030 . 1 . . . . 81 ILE HA . 10161 1 894 . 1 1 81 81 ILE CB C 13 39.883 0.300 . 1 . . . . 81 ILE CB . 10161 1 895 . 1 1 81 81 ILE HB H 1 1.767 0.030 . 1 . . . . 81 ILE HB . 10161 1 896 . 1 1 81 81 ILE CG1 C 13 27.460 0.300 . 1 . . . . 81 ILE CG1 . 10161 1 897 . 1 1 81 81 ILE HG13 H 1 0.589 0.030 . 2 . . . . 81 ILE HG13 . 10161 1 898 . 1 1 81 81 ILE CG2 C 13 17.744 0.300 . 1 . . . . 81 ILE CG2 . 10161 1 899 . 1 1 81 81 ILE HG21 H 1 0.678 0.030 . 1 . . . . 81 ILE HG2 . 10161 1 900 . 1 1 81 81 ILE HG22 H 1 0.678 0.030 . 1 . . . . 81 ILE HG2 . 10161 1 901 . 1 1 81 81 ILE HG23 H 1 0.678 0.030 . 1 . . . . 81 ILE HG2 . 10161 1 902 . 1 1 81 81 ILE CD1 C 13 14.841 0.300 . 1 . . . . 81 ILE CD1 . 10161 1 903 . 1 1 81 81 ILE HD11 H 1 0.408 0.030 . 1 . . . . 81 ILE HD1 . 10161 1 904 . 1 1 81 81 ILE HD12 H 1 0.408 0.030 . 1 . . . . 81 ILE HD1 . 10161 1 905 . 1 1 81 81 ILE HD13 H 1 0.408 0.030 . 1 . . . . 81 ILE HD1 . 10161 1 906 . 1 1 81 81 ILE C C 13 175.279 0.300 . 1 . . . . 81 ILE C . 10161 1 907 . 1 1 81 81 ILE HG12 H 1 1.218 0.030 . 2 . . . . 81 ILE HG12 . 10161 1 908 . 1 1 82 82 ASP N N 15 128.375 0.300 . 1 . . . . 82 ASP N . 10161 1 909 . 1 1 82 82 ASP H H 1 9.157 0.030 . 1 . . . . 82 ASP H . 10161 1 910 . 1 1 82 82 ASP CA C 13 53.084 0.300 . 1 . . . . 82 ASP CA . 10161 1 911 . 1 1 82 82 ASP HA H 1 5.060 0.030 . 1 . . . . 82 ASP HA . 10161 1 912 . 1 1 82 82 ASP CB C 13 42.929 0.300 . 1 . . . . 82 ASP CB . 10161 1 913 . 1 1 82 82 ASP HB3 H 1 2.774 0.030 . 2 . . . . 82 ASP HB3 . 10161 1 914 . 1 1 82 82 ASP C C 13 175.923 0.300 . 1 . . . . 82 ASP C . 10161 1 915 . 1 1 82 82 ASP HB2 H 1 2.339 0.030 . 2 . . . . 82 ASP HB2 . 10161 1 916 . 1 1 83 83 VAL N N 15 125.651 0.300 . 1 . . . . 83 VAL N . 10161 1 917 . 1 1 83 83 VAL H H 1 9.897 0.030 . 1 . . . . 83 VAL H . 10161 1 918 . 1 1 83 83 VAL CA C 13 62.407 0.300 . 1 . . . . 83 VAL CA . 10161 1 919 . 1 1 83 83 VAL HA H 1 4.553 0.030 . 1 . . . . 83 VAL HA . 10161 1 920 . 1 1 83 83 VAL CB C 13 33.233 0.300 . 1 . . . . 83 VAL CB . 10161 1 921 . 1 1 83 83 VAL HB H 1 2.271 0.030 . 1 . . . . 83 VAL HB . 10161 1 922 . 1 1 83 83 VAL CG1 C 13 22.022 0.300 . 2 . . . . 83 VAL CG1 . 10161 1 923 . 1 1 83 83 VAL HG11 H 1 0.877 0.030 . 1 . . . . 83 VAL HG1 . 10161 1 924 . 1 1 83 83 VAL HG12 H 1 0.877 0.030 . 1 . . . . 83 VAL HG1 . 10161 1 925 . 1 1 83 83 VAL HG13 H 1 0.877 0.030 . 1 . . . . 83 VAL HG1 . 10161 1 926 . 1 1 83 83 VAL CG2 C 13 21.926 0.300 . 2 . . . . 83 VAL CG2 . 10161 1 927 . 1 1 83 83 VAL HG21 H 1 1.129 0.030 . 1 . . . . 83 VAL HG2 . 10161 1 928 . 1 1 83 83 VAL HG22 H 1 1.129 0.030 . 1 . . . . 83 VAL HG2 . 10161 1 929 . 1 1 83 83 VAL HG23 H 1 1.129 0.030 . 1 . . . . 83 VAL HG2 . 10161 1 930 . 1 1 83 83 VAL C C 13 173.327 0.300 . 1 . . . . 83 VAL C . 10161 1 931 . 1 1 84 84 LYS N N 15 124.405 0.300 . 1 . . . . 84 LYS N . 10161 1 932 . 1 1 84 84 LYS H H 1 8.874 0.030 . 1 . . . . 84 LYS H . 10161 1 933 . 1 1 84 84 LYS CA C 13 53.901 0.300 . 1 . . . . 84 LYS CA . 10161 1 934 . 1 1 84 84 LYS HA H 1 5.065 0.030 . 1 . . . . 84 LYS HA . 10161 1 935 . 1 1 84 84 LYS CB C 13 36.851 0.300 . 1 . . . . 84 LYS CB . 10161 1 936 . 1 1 84 84 LYS HB3 H 1 1.064 0.030 . 2 . . . . 84 LYS HB3 . 10161 1 937 . 1 1 84 84 LYS CG C 13 25.151 0.300 . 1 . . . . 84 LYS CG . 10161 1 938 . 1 1 84 84 LYS HG3 H 1 0.886 0.030 . 2 . . . . 84 LYS HG3 . 10161 1 939 . 1 1 84 84 LYS CD C 13 29.445 0.300 . 1 . . . . 84 LYS CD . 10161 1 940 . 1 1 84 84 LYS HD3 H 1 1.050 0.030 . 2 . . . . 84 LYS HD3 . 10161 1 941 . 1 1 84 84 LYS CE C 13 41.479 0.300 . 1 . . . . 84 LYS CE . 10161 1 942 . 1 1 84 84 LYS HE3 H 1 2.107 0.030 . 2 . . . . 84 LYS HE3 . 10161 1 943 . 1 1 84 84 LYS C C 13 174.760 0.300 . 1 . . . . 84 LYS C . 10161 1 944 . 1 1 84 84 LYS HB2 H 1 1.655 0.030 . 2 . . . . 84 LYS HB2 . 10161 1 945 . 1 1 84 84 LYS HD2 H 1 1.250 0.030 . 2 . . . . 84 LYS HD2 . 10161 1 946 . 1 1 84 84 LYS HE2 H 1 2.209 0.030 . 2 . . . . 84 LYS HE2 . 10161 1 947 . 1 1 84 84 LYS HG2 H 1 0.234 0.030 . 2 . . . . 84 LYS HG2 . 10161 1 948 . 1 1 85 85 PHE N N 15 120.871 0.300 . 1 . . . . 85 PHE N . 10161 1 949 . 1 1 85 85 PHE H H 1 9.167 0.030 . 1 . . . . 85 PHE H . 10161 1 950 . 1 1 85 85 PHE CA C 13 56.014 0.300 . 1 . . . . 85 PHE CA . 10161 1 951 . 1 1 85 85 PHE HA H 1 5.157 0.030 . 1 . . . . 85 PHE HA . 10161 1 952 . 1 1 85 85 PHE CB C 13 42.916 0.300 . 1 . . . . 85 PHE CB . 10161 1 953 . 1 1 85 85 PHE HB3 H 1 2.767 0.030 . 2 . . . . 85 PHE HB3 . 10161 1 954 . 1 1 85 85 PHE CD1 C 13 131.528 0.300 . 1 . . . . 85 PHE CD1 . 10161 1 955 . 1 1 85 85 PHE HD1 H 1 6.753 0.030 . 1 . . . . 85 PHE HD1 . 10161 1 956 . 1 1 85 85 PHE CD2 C 13 131.528 0.300 . 1 . . . . 85 PHE CD2 . 10161 1 957 . 1 1 85 85 PHE HD2 H 1 6.753 0.030 . 1 . . . . 85 PHE HD2 . 10161 1 958 . 1 1 85 85 PHE CE1 C 13 131.089 0.300 . 1 . . . . 85 PHE CE1 . 10161 1 959 . 1 1 85 85 PHE HE1 H 1 6.889 0.030 . 1 . . . . 85 PHE HE1 . 10161 1 960 . 1 1 85 85 PHE CE2 C 13 131.089 0.300 . 1 . . . . 85 PHE CE2 . 10161 1 961 . 1 1 85 85 PHE HE2 H 1 6.889 0.030 . 1 . . . . 85 PHE HE2 . 10161 1 962 . 1 1 85 85 PHE CZ C 13 129.398 0.300 . 1 . . . . 85 PHE CZ . 10161 1 963 . 1 1 85 85 PHE HZ H 1 6.722 0.030 . 1 . . . . 85 PHE HZ . 10161 1 964 . 1 1 85 85 PHE C C 13 175.473 0.300 . 1 . . . . 85 PHE C . 10161 1 965 . 1 1 85 85 PHE HB2 H 1 2.492 0.030 . 2 . . . . 85 PHE HB2 . 10161 1 966 . 1 1 86 86 ASN N N 15 126.732 0.300 . 1 . . . . 86 ASN N . 10161 1 967 . 1 1 86 86 ASN H H 1 8.714 0.030 . 1 . . . . 86 ASN H . 10161 1 968 . 1 1 86 86 ASN CA C 13 53.835 0.300 . 1 . . . . 86 ASN CA . 10161 1 969 . 1 1 86 86 ASN HA H 1 4.216 0.030 . 1 . . . . 86 ASN HA . 10161 1 970 . 1 1 86 86 ASN CB C 13 36.789 0.300 . 1 . . . . 86 ASN CB . 10161 1 971 . 1 1 86 86 ASN HB3 H 1 3.034 0.030 . 2 . . . . 86 ASN HB3 . 10161 1 972 . 1 1 86 86 ASN ND2 N 15 113.623 0.300 . 1 . . . . 86 ASN ND2 . 10161 1 973 . 1 1 86 86 ASN HD21 H 1 7.725 0.030 . 2 . . . . 86 ASN HD21 . 10161 1 974 . 1 1 86 86 ASN HD22 H 1 6.745 0.030 . 2 . . . . 86 ASN HD22 . 10161 1 975 . 1 1 86 86 ASN C C 13 175.700 0.300 . 1 . . . . 86 ASN C . 10161 1 976 . 1 1 86 86 ASN HB2 H 1 2.666 0.030 . 2 . . . . 86 ASN HB2 . 10161 1 977 . 1 1 87 87 GLY N N 15 102.449 0.300 . 1 . . . . 87 GLY N . 10161 1 978 . 1 1 87 87 GLY H H 1 8.986 0.030 . 1 . . . . 87 GLY H . 10161 1 979 . 1 1 87 87 GLY CA C 13 45.490 0.300 . 1 . . . . 87 GLY CA . 10161 1 980 . 1 1 87 87 GLY HA3 H 1 4.223 0.030 . 2 . . . . 87 GLY HA3 . 10161 1 981 . 1 1 87 87 GLY C C 13 174.149 0.300 . 1 . . . . 87 GLY C . 10161 1 982 . 1 1 87 87 GLY HA2 H 1 3.555 0.030 . 2 . . . . 87 GLY HA2 . 10161 1 983 . 1 1 88 88 SER N N 15 116.260 0.300 . 1 . . . . 88 SER N . 10161 1 984 . 1 1 88 88 SER H H 1 7.670 0.030 . 1 . . . . 88 SER H . 10161 1 985 . 1 1 88 88 SER CA C 13 57.194 0.300 . 1 . . . . 88 SER CA . 10161 1 986 . 1 1 88 88 SER HA H 1 4.935 0.030 . 1 . . . . 88 SER HA . 10161 1 987 . 1 1 88 88 SER CB C 13 65.421 0.300 . 1 . . . . 88 SER CB . 10161 1 988 . 1 1 88 88 SER HB3 H 1 3.952 0.030 . 2 . . . . 88 SER HB3 . 10161 1 989 . 1 1 88 88 SER C C 13 173.491 0.300 . 1 . . . . 88 SER C . 10161 1 990 . 1 1 88 88 SER HB2 H 1 3.789 0.030 . 2 . . . . 88 SER HB2 . 10161 1 991 . 1 1 89 89 HIS N N 15 124.290 0.300 . 1 . . . . 89 HIS N . 10161 1 992 . 1 1 89 89 HIS H H 1 8.847 0.030 . 1 . . . . 89 HIS H . 10161 1 993 . 1 1 89 89 HIS CA C 13 59.048 0.300 . 1 . . . . 89 HIS CA . 10161 1 994 . 1 1 89 89 HIS HA H 1 4.543 0.030 . 1 . . . . 89 HIS HA . 10161 1 995 . 1 1 89 89 HIS CB C 13 32.463 0.300 . 1 . . . . 89 HIS CB . 10161 1 996 . 1 1 89 89 HIS HB3 H 1 3.178 0.030 . 2 . . . . 89 HIS HB3 . 10161 1 997 . 1 1 89 89 HIS CD2 C 13 117.988 0.300 . 1 . . . . 89 HIS CD2 . 10161 1 998 . 1 1 89 89 HIS HD2 H 1 7.185 0.030 . 1 . . . . 89 HIS HD2 . 10161 1 999 . 1 1 89 89 HIS CE1 C 13 137.284 0.300 . 1 . . . . 89 HIS CE1 . 10161 1 1000 . 1 1 89 89 HIS HE1 H 1 7.592 0.030 . 1 . . . . 89 HIS HE1 . 10161 1 1001 . 1 1 89 89 HIS C C 13 177.441 0.300 . 1 . . . . 89 HIS C . 10161 1 1002 . 1 1 89 89 HIS HB2 H 1 2.918 0.030 . 2 . . . . 89 HIS HB2 . 10161 1 1003 . 1 1 90 90 VAL N N 15 116.253 0.300 . 1 . . . . 90 VAL N . 10161 1 1004 . 1 1 90 90 VAL H H 1 8.283 0.030 . 1 . . . . 90 VAL H . 10161 1 1005 . 1 1 90 90 VAL CA C 13 60.279 0.300 . 1 . . . . 90 VAL CA . 10161 1 1006 . 1 1 90 90 VAL HA H 1 4.291 0.030 . 1 . . . . 90 VAL HA . 10161 1 1007 . 1 1 90 90 VAL CB C 13 31.601 0.300 . 1 . . . . 90 VAL CB . 10161 1 1008 . 1 1 90 90 VAL HB H 1 2.719 0.030 . 1 . . . . 90 VAL HB . 10161 1 1009 . 1 1 90 90 VAL CG1 C 13 22.713 0.300 . 2 . . . . 90 VAL CG1 . 10161 1 1010 . 1 1 90 90 VAL HG11 H 1 1.029 0.030 . 1 . . . . 90 VAL HG1 . 10161 1 1011 . 1 1 90 90 VAL HG12 H 1 1.029 0.030 . 1 . . . . 90 VAL HG1 . 10161 1 1012 . 1 1 90 90 VAL HG13 H 1 1.029 0.030 . 1 . . . . 90 VAL HG1 . 10161 1 1013 . 1 1 90 90 VAL CG2 C 13 18.910 0.300 . 2 . . . . 90 VAL CG2 . 10161 1 1014 . 1 1 90 90 VAL HG21 H 1 1.041 0.030 . 1 . . . . 90 VAL HG2 . 10161 1 1015 . 1 1 90 90 VAL HG22 H 1 1.041 0.030 . 1 . . . . 90 VAL HG2 . 10161 1 1016 . 1 1 90 90 VAL HG23 H 1 1.041 0.030 . 1 . . . . 90 VAL HG2 . 10161 1 1017 . 1 1 90 90 VAL C C 13 176.074 0.300 . 1 . . . . 90 VAL C . 10161 1 1018 . 1 1 91 91 VAL N N 15 123.139 0.300 . 1 . . . . 91 VAL N . 10161 1 1019 . 1 1 91 91 VAL H H 1 8.910 0.030 . 1 . . . . 91 VAL H . 10161 1 1020 . 1 1 91 91 VAL CA C 13 66.030 0.300 . 1 . . . . 91 VAL CA . 10161 1 1021 . 1 1 91 91 VAL HA H 1 3.632 0.030 . 1 . . . . 91 VAL HA . 10161 1 1022 . 1 1 91 91 VAL CB C 13 30.897 0.300 . 1 . . . . 91 VAL CB . 10161 1 1023 . 1 1 91 91 VAL HB H 1 2.097 0.030 . 1 . . . . 91 VAL HB . 10161 1 1024 . 1 1 91 91 VAL CG1 C 13 22.354 0.300 . 2 . . . . 91 VAL CG1 . 10161 1 1025 . 1 1 91 91 VAL HG11 H 1 1.156 0.030 . 1 . . . . 91 VAL HG1 . 10161 1 1026 . 1 1 91 91 VAL HG12 H 1 1.156 0.030 . 1 . . . . 91 VAL HG1 . 10161 1 1027 . 1 1 91 91 VAL HG13 H 1 1.156 0.030 . 1 . . . . 91 VAL HG1 . 10161 1 1028 . 1 1 91 91 VAL CG2 C 13 20.917 0.300 . 2 . . . . 91 VAL CG2 . 10161 1 1029 . 1 1 91 91 VAL HG21 H 1 0.968 0.030 . 1 . . . . 91 VAL HG2 . 10161 1 1030 . 1 1 91 91 VAL HG22 H 1 0.968 0.030 . 1 . . . . 91 VAL HG2 . 10161 1 1031 . 1 1 91 91 VAL HG23 H 1 0.968 0.030 . 1 . . . . 91 VAL HG2 . 10161 1 1032 . 1 1 91 91 VAL C C 13 177.012 0.300 . 1 . . . . 91 VAL C . 10161 1 1033 . 1 1 92 92 GLY N N 15 116.727 0.300 . 1 . . . . 92 GLY N . 10161 1 1034 . 1 1 92 92 GLY H H 1 8.396 0.030 . 1 . . . . 92 GLY H . 10161 1 1035 . 1 1 92 92 GLY CA C 13 44.466 0.300 . 1 . . . . 92 GLY CA . 10161 1 1036 . 1 1 92 92 GLY HA3 H 1 4.180 0.030 . 2 . . . . 92 GLY HA3 . 10161 1 1037 . 1 1 92 92 GLY C C 13 172.077 0.300 . 1 . . . . 92 GLY C . 10161 1 1038 . 1 1 92 92 GLY HA2 H 1 3.221 0.030 . 2 . . . . 92 GLY HA2 . 10161 1 1039 . 1 1 93 93 SER N N 15 112.885 0.300 . 1 . . . . 93 SER N . 10161 1 1040 . 1 1 93 93 SER H H 1 7.484 0.030 . 1 . . . . 93 SER H . 10161 1 1041 . 1 1 93 93 SER CA C 13 54.547 0.300 . 1 . . . . 93 SER CA . 10161 1 1042 . 1 1 93 93 SER HA H 1 4.065 0.030 . 1 . . . . 93 SER HA . 10161 1 1043 . 1 1 93 93 SER CB C 13 62.575 0.300 . 1 . . . . 93 SER CB . 10161 1 1044 . 1 1 93 93 SER HB3 H 1 4.372 0.030 . 2 . . . . 93 SER HB3 . 10161 1 1045 . 1 1 93 93 SER C C 13 174.608 0.300 . 1 . . . . 93 SER C . 10161 1 1046 . 1 1 93 93 SER HB2 H 1 3.705 0.030 . 2 . . . . 93 SER HB2 . 10161 1 1047 . 1 1 94 94 PRO CA C 13 62.477 0.300 . 1 . . . . 94 PRO CA . 10161 1 1048 . 1 1 94 94 PRO HA H 1 5.491 0.030 . 1 . . . . 94 PRO HA . 10161 1 1049 . 1 1 94 94 PRO CB C 13 34.106 0.300 . 1 . . . . 94 PRO CB . 10161 1 1050 . 1 1 94 94 PRO HB3 H 1 2.605 0.030 . 2 . . . . 94 PRO HB3 . 10161 1 1051 . 1 1 94 94 PRO CG C 13 25.143 0.300 . 1 . . . . 94 PRO CG . 10161 1 1052 . 1 1 94 94 PRO HG3 H 1 1.746 0.030 . 2 . . . . 94 PRO HG3 . 10161 1 1053 . 1 1 94 94 PRO CD C 13 50.142 0.300 . 1 . . . . 94 PRO CD . 10161 1 1054 . 1 1 94 94 PRO HD3 H 1 2.583 0.030 . 2 . . . . 94 PRO HD3 . 10161 1 1055 . 1 1 94 94 PRO C C 13 176.779 0.300 . 1 . . . . 94 PRO C . 10161 1 1056 . 1 1 94 94 PRO HB2 H 1 1.607 0.030 . 2 . . . . 94 PRO HB2 . 10161 1 1057 . 1 1 94 94 PRO HD2 H 1 3.183 0.030 . 2 . . . . 94 PRO HD2 . 10161 1 1058 . 1 1 94 94 PRO HG2 H 1 1.700 0.030 . 2 . . . . 94 PRO HG2 . 10161 1 1059 . 1 1 95 95 PHE N N 15 123.133 0.300 . 1 . . . . 95 PHE N . 10161 1 1060 . 1 1 95 95 PHE H H 1 9.200 0.030 . 1 . . . . 95 PHE H . 10161 1 1061 . 1 1 95 95 PHE CA C 13 57.291 0.300 . 1 . . . . 95 PHE CA . 10161 1 1062 . 1 1 95 95 PHE HA H 1 4.581 0.030 . 1 . . . . 95 PHE HA . 10161 1 1063 . 1 1 95 95 PHE CB C 13 41.165 0.300 . 1 . . . . 95 PHE CB . 10161 1 1064 . 1 1 95 95 PHE HB3 H 1 2.937 0.030 . 2 . . . . 95 PHE HB3 . 10161 1 1065 . 1 1 95 95 PHE CD1 C 13 132.357 0.300 . 1 . . . . 95 PHE CD1 . 10161 1 1066 . 1 1 95 95 PHE HD1 H 1 7.172 0.030 . 1 . . . . 95 PHE HD1 . 10161 1 1067 . 1 1 95 95 PHE CD2 C 13 132.357 0.300 . 1 . . . . 95 PHE CD2 . 10161 1 1068 . 1 1 95 95 PHE HD2 H 1 7.172 0.030 . 1 . . . . 95 PHE HD2 . 10161 1 1069 . 1 1 95 95 PHE CE1 C 13 130.040 0.300 . 1 . . . . 95 PHE CE1 . 10161 1 1070 . 1 1 95 95 PHE HE1 H 1 7.052 0.030 . 1 . . . . 95 PHE HE1 . 10161 1 1071 . 1 1 95 95 PHE CE2 C 13 130.040 0.300 . 1 . . . . 95 PHE CE2 . 10161 1 1072 . 1 1 95 95 PHE HE2 H 1 7.052 0.030 . 1 . . . . 95 PHE HE2 . 10161 1 1073 . 1 1 95 95 PHE CZ C 13 129.641 0.300 . 1 . . . . 95 PHE CZ . 10161 1 1074 . 1 1 95 95 PHE HZ H 1 7.145 0.030 . 1 . . . . 95 PHE HZ . 10161 1 1075 . 1 1 95 95 PHE C C 13 175.687 0.300 . 1 . . . . 95 PHE C . 10161 1 1076 . 1 1 95 95 PHE HB2 H 1 2.706 0.030 . 2 . . . . 95 PHE HB2 . 10161 1 1077 . 1 1 96 96 LYS N N 15 122.134 0.300 . 1 . . . . 96 LYS N . 10161 1 1078 . 1 1 96 96 LYS H H 1 8.790 0.030 . 1 . . . . 96 LYS H . 10161 1 1079 . 1 1 96 96 LYS CA C 13 55.249 0.300 . 1 . . . . 96 LYS CA . 10161 1 1080 . 1 1 96 96 LYS HA H 1 5.276 0.030 . 1 . . . . 96 LYS HA . 10161 1 1081 . 1 1 96 96 LYS CB C 13 33.836 0.300 . 1 . . . . 96 LYS CB . 10161 1 1082 . 1 1 96 96 LYS HB3 H 1 1.794 0.030 . 2 . . . . 96 LYS HB3 . 10161 1 1083 . 1 1 96 96 LYS CG C 13 25.087 0.300 . 1 . . . . 96 LYS CG . 10161 1 1084 . 1 1 96 96 LYS HG3 H 1 1.440 0.030 . 2 . . . . 96 LYS HG3 . 10161 1 1085 . 1 1 96 96 LYS CD C 13 29.159 0.300 . 1 . . . . 96 LYS CD . 10161 1 1086 . 1 1 96 96 LYS HD3 H 1 1.620 0.030 . 2 . . . . 96 LYS HD3 . 10161 1 1087 . 1 1 96 96 LYS CE C 13 42.153 0.300 . 1 . . . . 96 LYS CE . 10161 1 1088 . 1 1 96 96 LYS HE3 H 1 2.851 0.030 . 1 . . . . 96 LYS HE3 . 10161 1 1089 . 1 1 96 96 LYS C C 13 176.515 0.300 . 1 . . . . 96 LYS C . 10161 1 1090 . 1 1 96 96 LYS HB2 H 1 1.553 0.030 . 2 . . . . 96 LYS HB2 . 10161 1 1091 . 1 1 96 96 LYS HD2 H 1 1.530 0.030 . 2 . . . . 96 LYS HD2 . 10161 1 1092 . 1 1 96 96 LYS HE2 H 1 2.851 0.030 . 1 . . . . 96 LYS HE2 . 10161 1 1093 . 1 1 96 96 LYS HG2 H 1 1.326 0.030 . 2 . . . . 96 LYS HG2 . 10161 1 1094 . 1 1 97 97 VAL N N 15 117.706 0.300 . 1 . . . . 97 VAL N . 10161 1 1095 . 1 1 97 97 VAL H H 1 8.873 0.030 . 1 . . . . 97 VAL H . 10161 1 1096 . 1 1 97 97 VAL CA C 13 59.188 0.300 . 1 . . . . 97 VAL CA . 10161 1 1097 . 1 1 97 97 VAL HA H 1 4.917 0.030 . 1 . . . . 97 VAL HA . 10161 1 1098 . 1 1 97 97 VAL CB C 13 35.185 0.300 . 1 . . . . 97 VAL CB . 10161 1 1099 . 1 1 97 97 VAL HB H 1 2.027 0.030 . 1 . . . . 97 VAL HB . 10161 1 1100 . 1 1 97 97 VAL CG1 C 13 21.991 0.300 . 2 . . . . 97 VAL CG1 . 10161 1 1101 . 1 1 97 97 VAL HG11 H 1 0.832 0.030 . 1 . . . . 97 VAL HG1 . 10161 1 1102 . 1 1 97 97 VAL HG12 H 1 0.832 0.030 . 1 . . . . 97 VAL HG1 . 10161 1 1103 . 1 1 97 97 VAL HG13 H 1 0.832 0.030 . 1 . . . . 97 VAL HG1 . 10161 1 1104 . 1 1 97 97 VAL CG2 C 13 19.950 0.300 . 2 . . . . 97 VAL CG2 . 10161 1 1105 . 1 1 97 97 VAL HG21 H 1 0.764 0.030 . 1 . . . . 97 VAL HG2 . 10161 1 1106 . 1 1 97 97 VAL HG22 H 1 0.764 0.030 . 1 . . . . 97 VAL HG2 . 10161 1 1107 . 1 1 97 97 VAL HG23 H 1 0.764 0.030 . 1 . . . . 97 VAL HG2 . 10161 1 1108 . 1 1 97 97 VAL C C 13 173.801 0.300 . 1 . . . . 97 VAL C . 10161 1 1109 . 1 1 98 98 ARG N N 15 125.203 0.300 . 1 . . . . 98 ARG N . 10161 1 1110 . 1 1 98 98 ARG H H 1 8.826 0.030 . 1 . . . . 98 ARG H . 10161 1 1111 . 1 1 98 98 ARG CA C 13 56.337 0.300 . 1 . . . . 98 ARG CA . 10161 1 1112 . 1 1 98 98 ARG HA H 1 4.610 0.030 . 1 . . . . 98 ARG HA . 10161 1 1113 . 1 1 98 98 ARG CB C 13 32.031 0.300 . 1 . . . . 98 ARG CB . 10161 1 1114 . 1 1 98 98 ARG HB3 H 1 1.905 0.030 . 2 . . . . 98 ARG HB3 . 10161 1 1115 . 1 1 98 98 ARG CG C 13 28.615 0.300 . 1 . . . . 98 ARG CG . 10161 1 1116 . 1 1 98 98 ARG HG3 H 1 1.501 0.030 . 2 . . . . 98 ARG HG3 . 10161 1 1117 . 1 1 98 98 ARG CD C 13 43.242 0.300 . 1 . . . . 98 ARG CD . 10161 1 1118 . 1 1 98 98 ARG HD3 H 1 3.226 0.030 . 2 . . . . 98 ARG HD3 . 10161 1 1119 . 1 1 98 98 ARG C C 13 174.438 0.300 . 1 . . . . 98 ARG C . 10161 1 1120 . 1 1 98 98 ARG HB2 H 1 1.783 0.030 . 2 . . . . 98 ARG HB2 . 10161 1 1121 . 1 1 98 98 ARG HD2 H 1 3.165 0.030 . 2 . . . . 98 ARG HD2 . 10161 1 1122 . 1 1 98 98 ARG HG2 H 1 1.386 0.030 . 2 . . . . 98 ARG HG2 . 10161 1 1123 . 1 1 99 99 VAL N N 15 127.382 0.300 . 1 . . . . 99 VAL N . 10161 1 1124 . 1 1 99 99 VAL H H 1 8.144 0.030 . 1 . . . . 99 VAL H . 10161 1 1125 . 1 1 99 99 VAL CA C 13 61.216 0.300 . 1 . . . . 99 VAL CA . 10161 1 1126 . 1 1 99 99 VAL HA H 1 4.115 0.030 . 1 . . . . 99 VAL HA . 10161 1 1127 . 1 1 99 99 VAL CB C 13 32.590 0.300 . 1 . . . . 99 VAL CB . 10161 1 1128 . 1 1 99 99 VAL HB H 1 2.440 0.030 . 1 . . . . 99 VAL HB . 10161 1 1129 . 1 1 99 99 VAL CG1 C 13 21.002 0.300 . 2 . . . . 99 VAL CG1 . 10161 1 1130 . 1 1 99 99 VAL HG11 H 1 0.747 0.030 . 1 . . . . 99 VAL HG1 . 10161 1 1131 . 1 1 99 99 VAL HG12 H 1 0.747 0.030 . 1 . . . . 99 VAL HG1 . 10161 1 1132 . 1 1 99 99 VAL HG13 H 1 0.747 0.030 . 1 . . . . 99 VAL HG1 . 10161 1 1133 . 1 1 99 99 VAL CG2 C 13 21.060 0.300 . 2 . . . . 99 VAL CG2 . 10161 1 1134 . 1 1 99 99 VAL HG21 H 1 0.517 0.030 . 1 . . . . 99 VAL HG2 . 10161 1 1135 . 1 1 99 99 VAL HG22 H 1 0.517 0.030 . 1 . . . . 99 VAL HG2 . 10161 1 1136 . 1 1 99 99 VAL HG23 H 1 0.517 0.030 . 1 . . . . 99 VAL HG2 . 10161 1 1137 . 1 1 99 99 VAL C C 13 176.994 0.300 . 1 . . . . 99 VAL C . 10161 1 1138 . 1 1 100 100 GLY N N 15 117.424 0.300 . 1 . . . . 100 GLY N . 10161 1 1139 . 1 1 100 100 GLY H H 1 8.682 0.030 . 1 . . . . 100 GLY H . 10161 1 1140 . 1 1 100 100 GLY CA C 13 44.650 0.300 . 1 . . . . 100 GLY CA . 10161 1 1141 . 1 1 100 100 GLY HA3 H 1 4.386 0.030 . 2 . . . . 100 GLY HA3 . 10161 1 1142 . 1 1 100 100 GLY C C 13 173.180 0.300 . 1 . . . . 100 GLY C . 10161 1 1143 . 1 1 100 100 GLY HA2 H 1 3.954 0.030 . 2 . . . . 100 GLY HA2 . 10161 1 1144 . 1 1 101 101 GLU N N 15 119.495 0.300 . 1 . . . . 101 GLU N . 10161 1 1145 . 1 1 101 101 GLU H H 1 8.383 0.030 . 1 . . . . 101 GLU H . 10161 1 1146 . 1 1 101 101 GLU CA C 13 54.168 0.300 . 1 . . . . 101 GLU CA . 10161 1 1147 . 1 1 101 101 GLU HA H 1 4.661 0.030 . 1 . . . . 101 GLU HA . 10161 1 1148 . 1 1 101 101 GLU CB C 13 29.836 0.300 . 1 . . . . 101 GLU CB . 10161 1 1149 . 1 1 101 101 GLU HB3 H 1 2.093 0.030 . 2 . . . . 101 GLU HB3 . 10161 1 1150 . 1 1 101 101 GLU CG C 13 35.905 0.300 . 1 . . . . 101 GLU CG . 10161 1 1151 . 1 1 101 101 GLU HG3 H 1 2.295 0.030 . 1 . . . . 101 GLU HG3 . 10161 1 1152 . 1 1 101 101 GLU C C 13 175.458 0.300 . 1 . . . . 101 GLU C . 10161 1 1153 . 1 1 101 101 GLU HB2 H 1 1.794 0.030 . 2 . . . . 101 GLU HB2 . 10161 1 1154 . 1 1 101 101 GLU HG2 H 1 2.295 0.030 . 1 . . . . 101 GLU HG2 . 10161 1 1155 . 1 1 102 102 PRO CA C 13 63.897 0.300 . 1 . . . . 102 PRO CA . 10161 1 1156 . 1 1 102 102 PRO HA H 1 4.361 0.030 . 1 . . . . 102 PRO HA . 10161 1 1157 . 1 1 102 102 PRO CB C 13 31.946 0.300 . 1 . . . . 102 PRO CB . 10161 1 1158 . 1 1 102 102 PRO HB3 H 1 2.271 0.030 . 2 . . . . 102 PRO HB3 . 10161 1 1159 . 1 1 102 102 PRO CG C 13 27.570 0.300 . 1 . . . . 102 PRO CG . 10161 1 1160 . 1 1 102 102 PRO HG3 H 1 1.962 0.030 . 2 . . . . 102 PRO HG3 . 10161 1 1161 . 1 1 102 102 PRO CD C 13 50.631 0.300 . 1 . . . . 102 PRO CD . 10161 1 1162 . 1 1 102 102 PRO HD3 H 1 3.787 0.030 . 1 . . . . 102 PRO HD3 . 10161 1 1163 . 1 1 102 102 PRO C C 13 177.509 0.300 . 1 . . . . 102 PRO C . 10161 1 1164 . 1 1 102 102 PRO HB2 H 1 1.971 0.030 . 2 . . . . 102 PRO HB2 . 10161 1 1165 . 1 1 102 102 PRO HD2 H 1 3.787 0.030 . 1 . . . . 102 PRO HD2 . 10161 1 1166 . 1 1 102 102 PRO HG2 H 1 2.131 0.030 . 2 . . . . 102 PRO HG2 . 10161 1 1167 . 1 1 103 103 GLY N N 15 109.378 0.300 . 1 . . . . 103 GLY N . 10161 1 1168 . 1 1 103 103 GLY H H 1 8.552 0.030 . 1 . . . . 103 GLY H . 10161 1 1169 . 1 1 103 103 GLY CA C 13 45.263 0.300 . 1 . . . . 103 GLY CA . 10161 1 1170 . 1 1 103 103 GLY HA3 H 1 3.962 0.030 . 1 . . . . 103 GLY HA3 . 10161 1 1171 . 1 1 103 103 GLY C C 13 174.277 0.300 . 1 . . . . 103 GLY C . 10161 1 1172 . 1 1 103 103 GLY HA2 H 1 3.962 0.030 . 1 . . . . 103 GLY HA2 . 10161 1 1173 . 1 1 104 104 GLN N N 15 119.735 0.300 . 1 . . . . 104 GLN N . 10161 1 1174 . 1 1 104 104 GLN H H 1 8.096 0.030 . 1 . . . . 104 GLN H . 10161 1 1175 . 1 1 104 104 GLN CA C 13 55.924 0.300 . 1 . . . . 104 GLN CA . 10161 1 1176 . 1 1 104 104 GLN HA H 1 4.339 0.030 . 1 . . . . 104 GLN HA . 10161 1 1177 . 1 1 104 104 GLN CB C 13 29.622 0.300 . 1 . . . . 104 GLN CB . 10161 1 1178 . 1 1 104 104 GLN HB3 H 1 2.134 0.030 . 2 . . . . 104 GLN HB3 . 10161 1 1179 . 1 1 104 104 GLN CG C 13 33.904 0.300 . 1 . . . . 104 GLN CG . 10161 1 1180 . 1 1 104 104 GLN HG3 H 1 2.368 0.030 . 1 . . . . 104 GLN HG3 . 10161 1 1181 . 1 1 104 104 GLN NE2 N 15 112.482 0.300 . 1 . . . . 104 GLN NE2 . 10161 1 1182 . 1 1 104 104 GLN HE21 H 1 6.832 0.030 . 2 . . . . 104 GLN HE21 . 10161 1 1183 . 1 1 104 104 GLN HE22 H 1 7.609 0.030 . 2 . . . . 104 GLN HE22 . 10161 1 1184 . 1 1 104 104 GLN C C 13 175.669 0.300 . 1 . . . . 104 GLN C . 10161 1 1185 . 1 1 104 104 GLN HB2 H 1 2.021 0.030 . 2 . . . . 104 GLN HB2 . 10161 1 1186 . 1 1 104 104 GLN HG2 H 1 2.368 0.030 . 1 . . . . 104 GLN HG2 . 10161 1 1187 . 1 1 105 105 ALA N N 15 125.603 0.300 . 1 . . . . 105 ALA N . 10161 1 1188 . 1 1 105 105 ALA H H 1 8.389 0.030 . 1 . . . . 105 ALA H . 10161 1 1189 . 1 1 105 105 ALA CA C 13 52.416 0.300 . 1 . . . . 105 ALA CA . 10161 1 1190 . 1 1 105 105 ALA HA H 1 4.385 0.030 . 1 . . . . 105 ALA HA . 10161 1 1191 . 1 1 105 105 ALA CB C 13 19.608 0.300 . 1 . . . . 105 ALA CB . 10161 1 1192 . 1 1 105 105 ALA HB1 H 1 1.408 0.030 . 1 . . . . 105 ALA HB . 10161 1 1193 . 1 1 105 105 ALA HB2 H 1 1.408 0.030 . 1 . . . . 105 ALA HB . 10161 1 1194 . 1 1 105 105 ALA HB3 H 1 1.408 0.030 . 1 . . . . 105 ALA HB . 10161 1 1195 . 1 1 105 105 ALA C C 13 176.971 0.300 . 1 . . . . 105 ALA C . 10161 1 1196 . 1 1 106 106 GLY N N 15 114.733 0.300 . 1 . . . . 106 GLY N . 10161 1 1197 . 1 1 106 106 GLY H H 1 7.987 0.030 . 1 . . . . 106 GLY H . 10161 1 1198 . 1 1 106 106 GLY CA C 13 46.194 0.300 . 1 . . . . 106 GLY CA . 10161 1 1199 . 1 1 106 106 GLY HA3 H 1 3.771 0.030 . 1 . . . . 106 GLY HA3 . 10161 1 1200 . 1 1 106 106 GLY C C 13 179.150 0.300 . 1 . . . . 106 GLY C . 10161 1 1201 . 1 1 106 106 GLY HA2 H 1 3.771 0.030 . 1 . . . . 106 GLY HA2 . 10161 1 stop_ save_