data_10159 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10159 _Entry.Title ; Solution structure of the 16th 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 . . . 10159 2 S. Koshiba . . . 10159 3 S. Watanabe . . . 10159 4 T. Harada . . . 10159 5 T. Kigawa . . . 10159 6 S. Yokoyama . . . 10159 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' 10159 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10159 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 10159 '15N chemical shifts' 86 10159 '1H chemical shifts' 607 10159 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 . 10159 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE9 'BMRB Entry Tracking System' 10159 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10159 _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 16th 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 . . . 10159 1 2 S. Koshiba . . . 10159 1 3 S. Watanabe . . . 10159 1 4 T. Harada . . . 10159 1 5 T. Kigawa . . . 10159 1 6 S. Yokoyama . . . 10159 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10159 _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 . . . 10159 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 2EE9 . . . . . . 10159 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10159 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVSDMNGLGFKPFD LVIPFAVRKGEITGEVHMPS GKTATPEIVDNKDGTVTVRY APTEVGLHEMHIKYMGSHIP ESPLQFYVNYPNSGS ; _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 95 _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 2EE9 . "Solution Structure Of The 16th Filamin Domain From Human Filamin-B" . . . . . 100.00 95 100.00 100.00 1.88e-61 . . . . 10159 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain' . 10159 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 . 10159 1 2 . SER . 10159 1 3 . SER . 10159 1 4 . GLY . 10159 1 5 . SER . 10159 1 6 . SER . 10159 1 7 . GLY . 10159 1 8 . VAL . 10159 1 9 . SER . 10159 1 10 . ASP . 10159 1 11 . MET . 10159 1 12 . ASN . 10159 1 13 . GLY . 10159 1 14 . LEU . 10159 1 15 . GLY . 10159 1 16 . PHE . 10159 1 17 . LYS . 10159 1 18 . PRO . 10159 1 19 . PHE . 10159 1 20 . ASP . 10159 1 21 . LEU . 10159 1 22 . VAL . 10159 1 23 . ILE . 10159 1 24 . PRO . 10159 1 25 . PHE . 10159 1 26 . ALA . 10159 1 27 . VAL . 10159 1 28 . ARG . 10159 1 29 . LYS . 10159 1 30 . GLY . 10159 1 31 . GLU . 10159 1 32 . ILE . 10159 1 33 . THR . 10159 1 34 . GLY . 10159 1 35 . GLU . 10159 1 36 . VAL . 10159 1 37 . HIS . 10159 1 38 . MET . 10159 1 39 . PRO . 10159 1 40 . SER . 10159 1 41 . GLY . 10159 1 42 . LYS . 10159 1 43 . THR . 10159 1 44 . ALA . 10159 1 45 . THR . 10159 1 46 . PRO . 10159 1 47 . GLU . 10159 1 48 . ILE . 10159 1 49 . VAL . 10159 1 50 . ASP . 10159 1 51 . ASN . 10159 1 52 . LYS . 10159 1 53 . ASP . 10159 1 54 . GLY . 10159 1 55 . THR . 10159 1 56 . VAL . 10159 1 57 . THR . 10159 1 58 . VAL . 10159 1 59 . ARG . 10159 1 60 . TYR . 10159 1 61 . ALA . 10159 1 62 . PRO . 10159 1 63 . THR . 10159 1 64 . GLU . 10159 1 65 . VAL . 10159 1 66 . GLY . 10159 1 67 . LEU . 10159 1 68 . HIS . 10159 1 69 . GLU . 10159 1 70 . MET . 10159 1 71 . HIS . 10159 1 72 . ILE . 10159 1 73 . LYS . 10159 1 74 . TYR . 10159 1 75 . MET . 10159 1 76 . GLY . 10159 1 77 . SER . 10159 1 78 . HIS . 10159 1 79 . ILE . 10159 1 80 . PRO . 10159 1 81 . GLU . 10159 1 82 . SER . 10159 1 83 . PRO . 10159 1 84 . LEU . 10159 1 85 . GLN . 10159 1 86 . PHE . 10159 1 87 . TYR . 10159 1 88 . VAL . 10159 1 89 . ASN . 10159 1 90 . TYR . 10159 1 91 . PRO . 10159 1 92 . ASN . 10159 1 93 . SER . 10159 1 94 . GLY . 10159 1 95 . SER . 10159 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 10159 1 . SER 2 2 10159 1 . SER 3 3 10159 1 . GLY 4 4 10159 1 . SER 5 5 10159 1 . SER 6 6 10159 1 . GLY 7 7 10159 1 . VAL 8 8 10159 1 . SER 9 9 10159 1 . ASP 10 10 10159 1 . MET 11 11 10159 1 . ASN 12 12 10159 1 . GLY 13 13 10159 1 . LEU 14 14 10159 1 . GLY 15 15 10159 1 . PHE 16 16 10159 1 . LYS 17 17 10159 1 . PRO 18 18 10159 1 . PHE 19 19 10159 1 . ASP 20 20 10159 1 . LEU 21 21 10159 1 . VAL 22 22 10159 1 . ILE 23 23 10159 1 . PRO 24 24 10159 1 . PHE 25 25 10159 1 . ALA 26 26 10159 1 . VAL 27 27 10159 1 . ARG 28 28 10159 1 . LYS 29 29 10159 1 . GLY 30 30 10159 1 . GLU 31 31 10159 1 . ILE 32 32 10159 1 . THR 33 33 10159 1 . GLY 34 34 10159 1 . GLU 35 35 10159 1 . VAL 36 36 10159 1 . HIS 37 37 10159 1 . MET 38 38 10159 1 . PRO 39 39 10159 1 . SER 40 40 10159 1 . GLY 41 41 10159 1 . LYS 42 42 10159 1 . THR 43 43 10159 1 . ALA 44 44 10159 1 . THR 45 45 10159 1 . PRO 46 46 10159 1 . GLU 47 47 10159 1 . ILE 48 48 10159 1 . VAL 49 49 10159 1 . ASP 50 50 10159 1 . ASN 51 51 10159 1 . LYS 52 52 10159 1 . ASP 53 53 10159 1 . GLY 54 54 10159 1 . THR 55 55 10159 1 . VAL 56 56 10159 1 . THR 57 57 10159 1 . VAL 58 58 10159 1 . ARG 59 59 10159 1 . TYR 60 60 10159 1 . ALA 61 61 10159 1 . PRO 62 62 10159 1 . THR 63 63 10159 1 . GLU 64 64 10159 1 . VAL 65 65 10159 1 . GLY 66 66 10159 1 . LEU 67 67 10159 1 . HIS 68 68 10159 1 . GLU 69 69 10159 1 . MET 70 70 10159 1 . HIS 71 71 10159 1 . ILE 72 72 10159 1 . LYS 73 73 10159 1 . TYR 74 74 10159 1 . MET 75 75 10159 1 . GLY 76 76 10159 1 . SER 77 77 10159 1 . HIS 78 78 10159 1 . ILE 79 79 10159 1 . PRO 80 80 10159 1 . GLU 81 81 10159 1 . SER 82 82 10159 1 . PRO 83 83 10159 1 . LEU 84 84 10159 1 . GLN 85 85 10159 1 . PHE 86 86 10159 1 . TYR 87 87 10159 1 . VAL 88 88 10159 1 . ASN 89 89 10159 1 . TYR 90 90 10159 1 . PRO 91 91 10159 1 . ASN 92 92 10159 1 . SER 93 93 10159 1 . GLY 94 94 10159 1 . SER 95 95 10159 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 10159 _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 . . . . . . . . . . . . . . . . . . . . . 10159 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 10159 _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 . . P060619-09 . . . . . . 10159 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10159 _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 1.21 . . mM . . . . 10159 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10159 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10159 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10159 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10159 1 6 H2O . . . . . . solvent 90 . . % . . . . 10159 1 7 D2O . . . . . . solvent 10 . . % . . . . 10159 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 10159 _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 10159 1 pH 7.0 0.05 pH 10159 1 pressure 1 0.001 atm 10159 1 temperature 296 0.1 K 10159 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10159 _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 . . 10159 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10159 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10159 _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' . . 10159 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10159 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10159 _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.' . . 10159 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10159 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10159 _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.' . . 10159 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10159 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10159 _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 'Guentert, P.' . . 10159 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10159 5 'structure solution' 10159 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 10159 _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 10159 _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 . . . 10159 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 10159 _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 . . . . . . . . . . . . . . . . 10159 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10159 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 10159 _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 . . . . . . . . . 10159 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10159 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10159 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 10159 _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 10159 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10159 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 2 2 SER CA C 13 58.268 0.300 . 1 . . . . 2 SER CA . 10159 1 2 . 1 1 2 2 SER CB C 13 63.729 0.300 . 1 . . . . 2 SER CB . 10159 1 3 . 1 1 2 2 SER C C 13 174.818 0.300 . 1 . . . . 2 SER C . 10159 1 4 . 1 1 3 3 SER CA C 13 58.693 0.300 . 1 . . . . 3 SER CA . 10159 1 5 . 1 1 3 3 SER CB C 13 63.906 0.300 . 1 . . . . 3 SER CB . 10159 1 6 . 1 1 3 3 SER C C 13 174.981 0.300 . 1 . . . . 3 SER C . 10159 1 7 . 1 1 5 5 SER C C 13 178.688 0.300 . 1 . . . . 5 SER C . 10159 1 8 . 1 1 6 6 SER CA C 13 58.453 0.300 . 1 . . . . 6 SER CA . 10159 1 9 . 1 1 6 6 SER HA H 1 4.502 0.030 . 1 . . . . 6 SER HA . 10159 1 10 . 1 1 6 6 SER CB C 13 63.956 0.300 . 1 . . . . 6 SER CB . 10159 1 11 . 1 1 6 6 SER HB3 H 1 3.884 0.030 . 1 . . . . 6 SER HB3 . 10159 1 12 . 1 1 6 6 SER HB2 H 1 3.884 0.030 . 1 . . . . 6 SER HB2 . 10159 1 13 . 1 1 7 7 GLY N N 15 110.931 0.300 . 1 . . . . 7 GLY N . 10159 1 14 . 1 1 7 7 GLY H H 1 8.436 0.030 . 1 . . . . 7 GLY H . 10159 1 15 . 1 1 7 7 GLY CA C 13 45.357 0.300 . 1 . . . . 7 GLY CA . 10159 1 16 . 1 1 7 7 GLY HA3 H 1 3.979 0.030 . 1 . . . . 7 GLY HA3 . 10159 1 17 . 1 1 7 7 GLY C C 13 174.128 0.300 . 1 . . . . 7 GLY C . 10159 1 18 . 1 1 7 7 GLY HA2 H 1 3.979 0.030 . 1 . . . . 7 GLY HA2 . 10159 1 19 . 1 1 8 8 VAL N N 15 119.070 0.300 . 1 . . . . 8 VAL N . 10159 1 20 . 1 1 8 8 VAL H H 1 8.006 0.030 . 1 . . . . 8 VAL H . 10159 1 21 . 1 1 8 8 VAL CA C 13 62.332 0.300 . 1 . . . . 8 VAL CA . 10159 1 22 . 1 1 8 8 VAL HA H 1 4.180 0.030 . 1 . . . . 8 VAL HA . 10159 1 23 . 1 1 8 8 VAL CB C 13 32.819 0.300 . 1 . . . . 8 VAL CB . 10159 1 24 . 1 1 8 8 VAL HB H 1 2.093 0.030 . 1 . . . . 8 VAL HB . 10159 1 25 . 1 1 8 8 VAL CG1 C 13 20.349 0.300 . 2 . . . . 8 VAL CG1 . 10159 1 26 . 1 1 8 8 VAL HG11 H 1 0.913 0.030 . 1 . . . . 8 VAL HG1 . 10159 1 27 . 1 1 8 8 VAL HG12 H 1 0.913 0.030 . 1 . . . . 8 VAL HG1 . 10159 1 28 . 1 1 8 8 VAL HG13 H 1 0.913 0.030 . 1 . . . . 8 VAL HG1 . 10159 1 29 . 1 1 8 8 VAL CG2 C 13 21.159 0.300 . 2 . . . . 8 VAL CG2 . 10159 1 30 . 1 1 8 8 VAL HG21 H 1 0.931 0.030 . 1 . . . . 8 VAL HG2 . 10159 1 31 . 1 1 8 8 VAL HG22 H 1 0.931 0.030 . 1 . . . . 8 VAL HG2 . 10159 1 32 . 1 1 8 8 VAL HG23 H 1 0.931 0.030 . 1 . . . . 8 VAL HG2 . 10159 1 33 . 1 1 8 8 VAL C C 13 176.359 0.300 . 1 . . . . 8 VAL C . 10159 1 34 . 1 1 9 9 SER N N 15 119.223 0.300 . 1 . . . . 9 SER N . 10159 1 35 . 1 1 9 9 SER H H 1 8.418 0.030 . 1 . . . . 9 SER H . 10159 1 36 . 1 1 9 9 SER CA C 13 58.392 0.300 . 1 . . . . 9 SER CA . 10159 1 37 . 1 1 9 9 SER HA H 1 4.469 0.030 . 1 . . . . 9 SER HA . 10159 1 38 . 1 1 9 9 SER CB C 13 63.948 0.300 . 1 . . . . 9 SER CB . 10159 1 39 . 1 1 9 9 SER HB3 H 1 3.868 0.030 . 1 . . . . 9 SER HB3 . 10159 1 40 . 1 1 9 9 SER C C 13 174.256 0.300 . 1 . . . . 9 SER C . 10159 1 41 . 1 1 9 9 SER HB2 H 1 3.868 0.030 . 1 . . . . 9 SER HB2 . 10159 1 42 . 1 1 10 10 ASP N N 15 122.453 0.300 . 1 . . . . 10 ASP N . 10159 1 43 . 1 1 10 10 ASP H H 1 8.311 0.030 . 1 . . . . 10 ASP H . 10159 1 44 . 1 1 10 10 ASP CA C 13 54.450 0.300 . 1 . . . . 10 ASP CA . 10159 1 45 . 1 1 10 10 ASP HA H 1 4.592 0.030 . 1 . . . . 10 ASP HA . 10159 1 46 . 1 1 10 10 ASP CB C 13 41.174 0.300 . 1 . . . . 10 ASP CB . 10159 1 47 . 1 1 10 10 ASP HB3 H 1 2.699 0.030 . 2 . . . . 10 ASP HB3 . 10159 1 48 . 1 1 10 10 ASP C C 13 176.480 0.300 . 1 . . . . 10 ASP C . 10159 1 49 . 1 1 10 10 ASP HB2 H 1 2.645 0.030 . 2 . . . . 10 ASP HB2 . 10159 1 50 . 1 1 11 11 MET N N 15 120.428 0.300 . 1 . . . . 11 MET N . 10159 1 51 . 1 1 11 11 MET H H 1 8.340 0.030 . 1 . . . . 11 MET H . 10159 1 52 . 1 1 11 11 MET CA C 13 55.757 0.300 . 1 . . . . 11 MET CA . 10159 1 53 . 1 1 11 11 MET HA H 1 4.418 0.030 . 1 . . . . 11 MET HA . 10159 1 54 . 1 1 11 11 MET CB C 13 32.457 0.300 . 1 . . . . 11 MET CB . 10159 1 55 . 1 1 11 11 MET HB3 H 1 2.096 0.030 . 2 . . . . 11 MET HB3 . 10159 1 56 . 1 1 11 11 MET CG C 13 32.155 0.300 . 1 . . . . 11 MET CG . 10159 1 57 . 1 1 11 11 MET HG3 H 1 2.487 0.030 . 2 . . . . 11 MET HG3 . 10159 1 58 . 1 1 11 11 MET CE C 13 16.955 0.300 . 1 . . . . 11 MET CE . 10159 1 59 . 1 1 11 11 MET HE1 H 1 2.035 0.030 . 1 . . . . 11 MET HE . 10159 1 60 . 1 1 11 11 MET HE2 H 1 2.035 0.030 . 1 . . . . 11 MET HE . 10159 1 61 . 1 1 11 11 MET HE3 H 1 2.035 0.030 . 1 . . . . 11 MET HE . 10159 1 62 . 1 1 11 11 MET C C 13 176.391 0.300 . 1 . . . . 11 MET C . 10159 1 63 . 1 1 11 11 MET HB2 H 1 1.976 0.030 . 2 . . . . 11 MET HB2 . 10159 1 64 . 1 1 11 11 MET HG2 H 1 2.578 0.030 . 2 . . . . 11 MET HG2 . 10159 1 65 . 1 1 12 12 ASN N N 15 118.914 0.300 . 1 . . . . 12 ASN N . 10159 1 66 . 1 1 12 12 ASN H H 1 8.416 0.030 . 1 . . . . 12 ASN H . 10159 1 67 . 1 1 12 12 ASN CA C 13 53.687 0.300 . 1 . . . . 12 ASN CA . 10159 1 68 . 1 1 12 12 ASN HA H 1 4.660 0.030 . 1 . . . . 12 ASN HA . 10159 1 69 . 1 1 12 12 ASN CB C 13 38.924 0.300 . 1 . . . . 12 ASN CB . 10159 1 70 . 1 1 12 12 ASN HB3 H 1 2.842 0.030 . 2 . . . . 12 ASN HB3 . 10159 1 71 . 1 1 12 12 ASN ND2 N 15 113.160 0.300 . 1 . . . . 12 ASN ND2 . 10159 1 72 . 1 1 12 12 ASN HD21 H 1 6.917 0.030 . 2 . . . . 12 ASN HD21 . 10159 1 73 . 1 1 12 12 ASN HD22 H 1 7.644 0.030 . 2 . . . . 12 ASN HD22 . 10159 1 74 . 1 1 12 12 ASN C C 13 175.770 0.300 . 1 . . . . 12 ASN C . 10159 1 75 . 1 1 12 12 ASN HB2 H 1 2.786 0.030 . 2 . . . . 12 ASN HB2 . 10159 1 76 . 1 1 13 13 GLY N N 15 108.888 0.300 . 1 . . . . 13 GLY N . 10159 1 77 . 1 1 13 13 GLY H H 1 8.317 0.030 . 1 . . . . 13 GLY H . 10159 1 78 . 1 1 13 13 GLY CA C 13 45.658 0.300 . 1 . . . . 13 GLY CA . 10159 1 79 . 1 1 13 13 GLY HA3 H 1 3.920 0.030 . 1 . . . . 13 GLY HA3 . 10159 1 80 . 1 1 13 13 GLY C C 13 174.275 0.300 . 1 . . . . 13 GLY C . 10159 1 81 . 1 1 13 13 GLY HA2 H 1 3.920 0.030 . 1 . . . . 13 GLY HA2 . 10159 1 82 . 1 1 14 14 LEU N N 15 120.990 0.300 . 1 . . . . 14 LEU N . 10159 1 83 . 1 1 14 14 LEU H H 1 8.015 0.030 . 1 . . . . 14 LEU H . 10159 1 84 . 1 1 14 14 LEU CA C 13 55.074 0.300 . 1 . . . . 14 LEU CA . 10159 1 85 . 1 1 14 14 LEU HA H 1 4.283 0.030 . 1 . . . . 14 LEU HA . 10159 1 86 . 1 1 14 14 LEU CB C 13 42.572 0.300 . 1 . . . . 14 LEU CB . 10159 1 87 . 1 1 14 14 LEU HB3 H 1 1.418 0.030 . 2 . . . . 14 LEU HB3 . 10159 1 88 . 1 1 14 14 LEU CG C 13 26.998 0.300 . 1 . . . . 14 LEU CG . 10159 1 89 . 1 1 14 14 LEU HG H 1 1.575 0.030 . 1 . . . . 14 LEU HG . 10159 1 90 . 1 1 14 14 LEU CD1 C 13 25.362 0.300 . 2 . . . . 14 LEU CD1 . 10159 1 91 . 1 1 14 14 LEU HD11 H 1 0.893 0.030 . 1 . . . . 14 LEU HD1 . 10159 1 92 . 1 1 14 14 LEU HD12 H 1 0.893 0.030 . 1 . . . . 14 LEU HD1 . 10159 1 93 . 1 1 14 14 LEU HD13 H 1 0.893 0.030 . 1 . . . . 14 LEU HD1 . 10159 1 94 . 1 1 14 14 LEU CD2 C 13 23.147 0.300 . 2 . . . . 14 LEU CD2 . 10159 1 95 . 1 1 14 14 LEU HD21 H 1 0.816 0.030 . 1 . . . . 14 LEU HD2 . 10159 1 96 . 1 1 14 14 LEU HD22 H 1 0.816 0.030 . 1 . . . . 14 LEU HD2 . 10159 1 97 . 1 1 14 14 LEU HD23 H 1 0.816 0.030 . 1 . . . . 14 LEU HD2 . 10159 1 98 . 1 1 14 14 LEU C C 13 177.365 0.300 . 1 . . . . 14 LEU C . 10159 1 99 . 1 1 14 14 LEU HB2 H 1 1.618 0.030 . 2 . . . . 14 LEU HB2 . 10159 1 100 . 1 1 15 15 GLY N N 15 107.853 0.300 . 1 . . . . 15 GLY N . 10159 1 101 . 1 1 15 15 GLY H H 1 8.198 0.030 . 1 . . . . 15 GLY H . 10159 1 102 . 1 1 15 15 GLY CA C 13 44.968 0.300 . 1 . . . . 15 GLY CA . 10159 1 103 . 1 1 15 15 GLY HA3 H 1 3.823 0.030 . 2 . . . . 15 GLY HA3 . 10159 1 104 . 1 1 15 15 GLY C C 13 173.829 0.300 . 1 . . . . 15 GLY C . 10159 1 105 . 1 1 15 15 GLY HA2 H 1 3.783 0.030 . 2 . . . . 15 GLY HA2 . 10159 1 106 . 1 1 16 16 PHE N N 15 118.501 0.300 . 1 . . . . 16 PHE N . 10159 1 107 . 1 1 16 16 PHE H H 1 7.868 0.030 . 1 . . . . 16 PHE H . 10159 1 108 . 1 1 16 16 PHE CA C 13 57.837 0.300 . 1 . . . . 16 PHE CA . 10159 1 109 . 1 1 16 16 PHE HA H 1 4.442 0.030 . 1 . . . . 16 PHE HA . 10159 1 110 . 1 1 16 16 PHE CB C 13 40.278 0.300 . 1 . . . . 16 PHE CB . 10159 1 111 . 1 1 16 16 PHE HB3 H 1 2.650 0.030 . 2 . . . . 16 PHE HB3 . 10159 1 112 . 1 1 16 16 PHE CD1 C 13 131.807 0.300 . 1 . . . . 16 PHE CD1 . 10159 1 113 . 1 1 16 16 PHE HD1 H 1 7.091 0.030 . 1 . . . . 16 PHE HD1 . 10159 1 114 . 1 1 16 16 PHE CD2 C 13 131.807 0.300 . 1 . . . . 16 PHE CD2 . 10159 1 115 . 1 1 16 16 PHE HD2 H 1 7.091 0.030 . 1 . . . . 16 PHE HD2 . 10159 1 116 . 1 1 16 16 PHE CE1 C 13 130.704 0.300 . 1 . . . . 16 PHE CE1 . 10159 1 117 . 1 1 16 16 PHE HE1 H 1 6.896 0.030 . 1 . . . . 16 PHE HE1 . 10159 1 118 . 1 1 16 16 PHE CE2 C 13 130.704 0.300 . 1 . . . . 16 PHE CE2 . 10159 1 119 . 1 1 16 16 PHE HE2 H 1 6.896 0.030 . 1 . . . . 16 PHE HE2 . 10159 1 120 . 1 1 16 16 PHE CZ C 13 129.115 0.300 . 1 . . . . 16 PHE CZ . 10159 1 121 . 1 1 16 16 PHE HZ H 1 7.003 0.030 . 1 . . . . 16 PHE HZ . 10159 1 122 . 1 1 16 16 PHE C C 13 176.569 0.300 . 1 . . . . 16 PHE C . 10159 1 123 . 1 1 16 16 PHE HB2 H 1 2.823 0.030 . 2 . . . . 16 PHE HB2 . 10159 1 124 . 1 1 17 17 LYS N N 15 126.087 0.300 . 1 . . . . 17 LYS N . 10159 1 125 . 1 1 17 17 LYS H H 1 8.611 0.030 . 1 . . . . 17 LYS H . 10159 1 126 . 1 1 17 17 LYS CA C 13 54.271 0.300 . 1 . . . . 17 LYS CA . 10159 1 127 . 1 1 17 17 LYS HA H 1 4.573 0.030 . 1 . . . . 17 LYS HA . 10159 1 128 . 1 1 17 17 LYS CB C 13 32.818 0.300 . 1 . . . . 17 LYS CB . 10159 1 129 . 1 1 17 17 LYS HB3 H 1 1.936 0.030 . 2 . . . . 17 LYS HB3 . 10159 1 130 . 1 1 17 17 LYS CG C 13 24.609 0.300 . 1 . . . . 17 LYS CG . 10159 1 131 . 1 1 17 17 LYS HG3 H 1 1.622 0.030 . 1 . . . . 17 LYS HG3 . 10159 1 132 . 1 1 17 17 LYS CD C 13 29.413 0.300 . 1 . . . . 17 LYS CD . 10159 1 133 . 1 1 17 17 LYS HD3 H 1 1.790 0.030 . 1 . . . . 17 LYS HD3 . 10159 1 134 . 1 1 17 17 LYS CE C 13 42.328 0.300 . 1 . . . . 17 LYS CE . 10159 1 135 . 1 1 17 17 LYS HE3 H 1 3.092 0.030 . 1 . . . . 17 LYS HE3 . 10159 1 136 . 1 1 17 17 LYS C C 13 174.147 0.300 . 1 . . . . 17 LYS C . 10159 1 137 . 1 1 17 17 LYS HB2 H 1 1.872 0.030 . 2 . . . . 17 LYS HB2 . 10159 1 138 . 1 1 17 17 LYS HD2 H 1 1.790 0.030 . 1 . . . . 17 LYS HD2 . 10159 1 139 . 1 1 17 17 LYS HE2 H 1 3.092 0.030 . 1 . . . . 17 LYS HE2 . 10159 1 140 . 1 1 17 17 LYS HG2 H 1 1.622 0.030 . 1 . . . . 17 LYS HG2 . 10159 1 141 . 1 1 18 18 PRO CA C 13 62.850 0.300 . 1 . . . . 18 PRO CA . 10159 1 142 . 1 1 18 18 PRO HA H 1 4.647 0.030 . 1 . . . . 18 PRO HA . 10159 1 143 . 1 1 18 18 PRO CB C 13 31.990 0.300 . 1 . . . . 18 PRO CB . 10159 1 144 . 1 1 18 18 PRO HB3 H 1 1.773 0.030 . 2 . . . . 18 PRO HB3 . 10159 1 145 . 1 1 18 18 PRO CG C 13 27.383 0.300 . 1 . . . . 18 PRO CG . 10159 1 146 . 1 1 18 18 PRO HG3 H 1 1.967 0.030 . 2 . . . . 18 PRO HG3 . 10159 1 147 . 1 1 18 18 PRO CD C 13 50.655 0.300 . 1 . . . . 18 PRO CD . 10159 1 148 . 1 1 18 18 PRO HD3 H 1 3.908 0.030 . 2 . . . . 18 PRO HD3 . 10159 1 149 . 1 1 18 18 PRO C C 13 176.220 0.300 . 1 . . . . 18 PRO C . 10159 1 150 . 1 1 18 18 PRO HB2 H 1 2.093 0.030 . 2 . . . . 18 PRO HB2 . 10159 1 151 . 1 1 18 18 PRO HD2 H 1 3.674 0.030 . 2 . . . . 18 PRO HD2 . 10159 1 152 . 1 1 18 18 PRO HG2 H 1 1.999 0.030 . 2 . . . . 18 PRO HG2 . 10159 1 153 . 1 1 19 19 PHE N N 15 123.581 0.300 . 1 . . . . 19 PHE N . 10159 1 154 . 1 1 19 19 PHE H H 1 8.905 0.030 . 1 . . . . 19 PHE H . 10159 1 155 . 1 1 19 19 PHE CA C 13 57.402 0.300 . 1 . . . . 19 PHE CA . 10159 1 156 . 1 1 19 19 PHE HA H 1 4.502 0.030 . 1 . . . . 19 PHE HA . 10159 1 157 . 1 1 19 19 PHE CB C 13 41.432 0.300 . 1 . . . . 19 PHE CB . 10159 1 158 . 1 1 19 19 PHE HB3 H 1 2.638 0.030 . 2 . . . . 19 PHE HB3 . 10159 1 159 . 1 1 19 19 PHE CD1 C 13 131.221 0.300 . 1 . . . . 19 PHE CD1 . 10159 1 160 . 1 1 19 19 PHE HD1 H 1 6.539 0.030 . 1 . . . . 19 PHE HD1 . 10159 1 161 . 1 1 19 19 PHE CD2 C 13 131.221 0.300 . 1 . . . . 19 PHE CD2 . 10159 1 162 . 1 1 19 19 PHE HD2 H 1 6.539 0.030 . 1 . . . . 19 PHE HD2 . 10159 1 163 . 1 1 19 19 PHE CE1 C 13 130.477 0.300 . 1 . . . . 19 PHE CE1 . 10159 1 164 . 1 1 19 19 PHE HE1 H 1 6.887 0.030 . 1 . . . . 19 PHE HE1 . 10159 1 165 . 1 1 19 19 PHE CE2 C 13 130.477 0.300 . 1 . . . . 19 PHE CE2 . 10159 1 166 . 1 1 19 19 PHE HE2 H 1 6.887 0.030 . 1 . . . . 19 PHE HE2 . 10159 1 167 . 1 1 19 19 PHE CZ C 13 129.088 0.300 . 1 . . . . 19 PHE CZ . 10159 1 168 . 1 1 19 19 PHE HZ H 1 6.941 0.030 . 1 . . . . 19 PHE HZ . 10159 1 169 . 1 1 19 19 PHE C C 13 173.078 0.300 . 1 . . . . 19 PHE C . 10159 1 170 . 1 1 19 19 PHE HB2 H 1 2.571 0.030 . 2 . . . . 19 PHE HB2 . 10159 1 171 . 1 1 20 20 ASP N N 15 126.229 0.300 . 1 . . . . 20 ASP N . 10159 1 172 . 1 1 20 20 ASP H H 1 7.412 0.030 . 1 . . . . 20 ASP H . 10159 1 173 . 1 1 20 20 ASP CA C 13 52.686 0.300 . 1 . . . . 20 ASP CA . 10159 1 174 . 1 1 20 20 ASP HA H 1 5.248 0.030 . 1 . . . . 20 ASP HA . 10159 1 175 . 1 1 20 20 ASP CB C 13 44.081 0.300 . 1 . . . . 20 ASP CB . 10159 1 176 . 1 1 20 20 ASP HB3 H 1 2.232 0.030 . 1 . . . . 20 ASP HB3 . 10159 1 177 . 1 1 20 20 ASP C C 13 174.098 0.300 . 1 . . . . 20 ASP C . 10159 1 178 . 1 1 20 20 ASP HB2 H 1 2.232 0.030 . 1 . . . . 20 ASP HB2 . 10159 1 179 . 1 1 21 21 LEU N N 15 123.421 0.300 . 1 . . . . 21 LEU N . 10159 1 180 . 1 1 21 21 LEU H H 1 8.641 0.030 . 1 . . . . 21 LEU H . 10159 1 181 . 1 1 21 21 LEU CA C 13 54.201 0.300 . 1 . . . . 21 LEU CA . 10159 1 182 . 1 1 21 21 LEU HA H 1 4.367 0.030 . 1 . . . . 21 LEU HA . 10159 1 183 . 1 1 21 21 LEU CB C 13 46.118 0.300 . 1 . . . . 21 LEU CB . 10159 1 184 . 1 1 21 21 LEU HB3 H 1 1.168 0.030 . 2 . . . . 21 LEU HB3 . 10159 1 185 . 1 1 21 21 LEU CG C 13 27.072 0.300 . 1 . . . . 21 LEU CG . 10159 1 186 . 1 1 21 21 LEU HG H 1 1.336 0.030 . 1 . . . . 21 LEU HG . 10159 1 187 . 1 1 21 21 LEU CD1 C 13 26.294 0.300 . 2 . . . . 21 LEU CD1 . 10159 1 188 . 1 1 21 21 LEU HD11 H 1 0.799 0.030 . 1 . . . . 21 LEU HD1 . 10159 1 189 . 1 1 21 21 LEU HD12 H 1 0.799 0.030 . 1 . . . . 21 LEU HD1 . 10159 1 190 . 1 1 21 21 LEU HD13 H 1 0.799 0.030 . 1 . . . . 21 LEU HD1 . 10159 1 191 . 1 1 21 21 LEU CD2 C 13 23.947 0.300 . 2 . . . . 21 LEU CD2 . 10159 1 192 . 1 1 21 21 LEU HD21 H 1 0.885 0.030 . 1 . . . . 21 LEU HD2 . 10159 1 193 . 1 1 21 21 LEU HD22 H 1 0.885 0.030 . 1 . . . . 21 LEU HD2 . 10159 1 194 . 1 1 21 21 LEU HD23 H 1 0.885 0.030 . 1 . . . . 21 LEU HD2 . 10159 1 195 . 1 1 21 21 LEU C C 13 174.294 0.300 . 1 . . . . 21 LEU C . 10159 1 196 . 1 1 21 21 LEU HB2 H 1 1.550 0.030 . 2 . . . . 21 LEU HB2 . 10159 1 197 . 1 1 22 22 VAL N N 15 127.339 0.300 . 1 . . . . 22 VAL N . 10159 1 198 . 1 1 22 22 VAL H H 1 8.451 0.030 . 1 . . . . 22 VAL H . 10159 1 199 . 1 1 22 22 VAL CA C 13 61.986 0.300 . 1 . . . . 22 VAL CA . 10159 1 200 . 1 1 22 22 VAL HA H 1 4.572 0.030 . 1 . . . . 22 VAL HA . 10159 1 201 . 1 1 22 22 VAL CB C 13 32.276 0.300 . 1 . . . . 22 VAL CB . 10159 1 202 . 1 1 22 22 VAL HB H 1 1.851 0.030 . 1 . . . . 22 VAL HB . 10159 1 203 . 1 1 22 22 VAL CG1 C 13 21.389 0.300 . 2 . . . . 22 VAL CG1 . 10159 1 204 . 1 1 22 22 VAL HG11 H 1 0.890 0.030 . 1 . . . . 22 VAL HG1 . 10159 1 205 . 1 1 22 22 VAL HG12 H 1 0.890 0.030 . 1 . . . . 22 VAL HG1 . 10159 1 206 . 1 1 22 22 VAL HG13 H 1 0.890 0.030 . 1 . . . . 22 VAL HG1 . 10159 1 207 . 1 1 22 22 VAL CG2 C 13 20.868 0.300 . 2 . . . . 22 VAL CG2 . 10159 1 208 . 1 1 22 22 VAL HG21 H 1 0.716 0.030 . 1 . . . . 22 VAL HG2 . 10159 1 209 . 1 1 22 22 VAL HG22 H 1 0.716 0.030 . 1 . . . . 22 VAL HG2 . 10159 1 210 . 1 1 22 22 VAL HG23 H 1 0.716 0.030 . 1 . . . . 22 VAL HG2 . 10159 1 211 . 1 1 22 22 VAL C C 13 176.066 0.300 . 1 . . . . 22 VAL C . 10159 1 212 . 1 1 23 23 ILE N N 15 128.645 0.300 . 1 . . . . 23 ILE N . 10159 1 213 . 1 1 23 23 ILE H H 1 8.998 0.030 . 1 . . . . 23 ILE H . 10159 1 214 . 1 1 23 23 ILE CA C 13 57.193 0.300 . 1 . . . . 23 ILE CA . 10159 1 215 . 1 1 23 23 ILE HA H 1 4.489 0.030 . 1 . . . . 23 ILE HA . 10159 1 216 . 1 1 23 23 ILE CB C 13 38.455 0.300 . 1 . . . . 23 ILE CB . 10159 1 217 . 1 1 23 23 ILE HB H 1 1.912 0.030 . 1 . . . . 23 ILE HB . 10159 1 218 . 1 1 23 23 ILE CG1 C 13 27.005 0.300 . 1 . . . . 23 ILE CG1 . 10159 1 219 . 1 1 23 23 ILE HG13 H 1 1.113 0.030 . 2 . . . . 23 ILE HG13 . 10159 1 220 . 1 1 23 23 ILE CG2 C 13 16.815 0.300 . 1 . . . . 23 ILE CG2 . 10159 1 221 . 1 1 23 23 ILE HG21 H 1 0.440 0.030 . 1 . . . . 23 ILE HG2 . 10159 1 222 . 1 1 23 23 ILE HG22 H 1 0.440 0.030 . 1 . . . . 23 ILE HG2 . 10159 1 223 . 1 1 23 23 ILE HG23 H 1 0.440 0.030 . 1 . . . . 23 ILE HG2 . 10159 1 224 . 1 1 23 23 ILE CD1 C 13 12.539 0.300 . 1 . . . . 23 ILE CD1 . 10159 1 225 . 1 1 23 23 ILE HD11 H 1 0.644 0.030 . 1 . . . . 23 ILE HD1 . 10159 1 226 . 1 1 23 23 ILE HD12 H 1 0.644 0.030 . 1 . . . . 23 ILE HD1 . 10159 1 227 . 1 1 23 23 ILE HD13 H 1 0.644 0.030 . 1 . . . . 23 ILE HD1 . 10159 1 228 . 1 1 23 23 ILE C C 13 175.434 0.300 . 1 . . . . 23 ILE C . 10159 1 229 . 1 1 23 23 ILE HG12 H 1 1.336 0.030 . 2 . . . . 23 ILE HG12 . 10159 1 230 . 1 1 24 24 PRO CA C 13 63.319 0.300 . 1 . . . . 24 PRO CA . 10159 1 231 . 1 1 24 24 PRO HA H 1 4.600 0.030 . 1 . . . . 24 PRO HA . 10159 1 232 . 1 1 24 24 PRO CB C 13 30.324 0.300 . 1 . . . . 24 PRO CB . 10159 1 233 . 1 1 24 24 PRO HB3 H 1 2.001 0.030 . 2 . . . . 24 PRO HB3 . 10159 1 234 . 1 1 24 24 PRO CG C 13 27.283 0.300 . 1 . . . . 24 PRO CG . 10159 1 235 . 1 1 24 24 PRO HG3 H 1 2.006 0.030 . 2 . . . . 24 PRO HG3 . 10159 1 236 . 1 1 24 24 PRO CD C 13 50.986 0.300 . 1 . . . . 24 PRO CD . 10159 1 237 . 1 1 24 24 PRO HD3 H 1 3.839 0.030 . 2 . . . . 24 PRO HD3 . 10159 1 238 . 1 1 24 24 PRO C C 13 174.946 0.300 . 1 . . . . 24 PRO C . 10159 1 239 . 1 1 24 24 PRO HB2 H 1 2.216 0.030 . 2 . . . . 24 PRO HB2 . 10159 1 240 . 1 1 24 24 PRO HD2 H 1 3.591 0.030 . 2 . . . . 24 PRO HD2 . 10159 1 241 . 1 1 24 24 PRO HG2 H 1 2.079 0.030 . 2 . . . . 24 PRO HG2 . 10159 1 242 . 1 1 25 25 PHE N N 15 121.530 0.300 . 1 . . . . 25 PHE N . 10159 1 243 . 1 1 25 25 PHE H H 1 7.582 0.030 . 1 . . . . 25 PHE H . 10159 1 244 . 1 1 25 25 PHE CA C 13 56.635 0.300 . 1 . . . . 25 PHE CA . 10159 1 245 . 1 1 25 25 PHE HA H 1 4.552 0.030 . 1 . . . . 25 PHE HA . 10159 1 246 . 1 1 25 25 PHE CB C 13 40.977 0.300 . 1 . . . . 25 PHE CB . 10159 1 247 . 1 1 25 25 PHE HB3 H 1 2.905 0.030 . 2 . . . . 25 PHE HB3 . 10159 1 248 . 1 1 25 25 PHE CD1 C 13 132.054 0.300 . 1 . . . . 25 PHE CD1 . 10159 1 249 . 1 1 25 25 PHE HD1 H 1 6.895 0.030 . 1 . . . . 25 PHE HD1 . 10159 1 250 . 1 1 25 25 PHE CD2 C 13 132.054 0.300 . 1 . . . . 25 PHE CD2 . 10159 1 251 . 1 1 25 25 PHE HD2 H 1 6.895 0.030 . 1 . . . . 25 PHE HD2 . 10159 1 252 . 1 1 25 25 PHE CE1 C 13 130.850 0.300 . 1 . . . . 25 PHE CE1 . 10159 1 253 . 1 1 25 25 PHE HE1 H 1 6.787 0.030 . 1 . . . . 25 PHE HE1 . 10159 1 254 . 1 1 25 25 PHE CE2 C 13 130.850 0.300 . 1 . . . . 25 PHE CE2 . 10159 1 255 . 1 1 25 25 PHE HE2 H 1 6.787 0.030 . 1 . . . . 25 PHE HE2 . 10159 1 256 . 1 1 25 25 PHE CZ C 13 129.085 0.300 . 1 . . . . 25 PHE CZ . 10159 1 257 . 1 1 25 25 PHE HZ H 1 6.737 0.030 . 1 . . . . 25 PHE HZ . 10159 1 258 . 1 1 25 25 PHE C C 13 172.831 0.300 . 1 . . . . 25 PHE C . 10159 1 259 . 1 1 25 25 PHE HB2 H 1 2.852 0.030 . 2 . . . . 25 PHE HB2 . 10159 1 260 . 1 1 26 26 ALA N N 15 124.526 0.300 . 1 . . . . 26 ALA N . 10159 1 261 . 1 1 26 26 ALA H H 1 7.993 0.030 . 1 . . . . 26 ALA H . 10159 1 262 . 1 1 26 26 ALA CA C 13 52.074 0.300 . 1 . . . . 26 ALA CA . 10159 1 263 . 1 1 26 26 ALA HA H 1 4.221 0.030 . 1 . . . . 26 ALA HA . 10159 1 264 . 1 1 26 26 ALA CB C 13 18.862 0.300 . 1 . . . . 26 ALA CB . 10159 1 265 . 1 1 26 26 ALA HB1 H 1 1.256 0.030 . 1 . . . . 26 ALA HB . 10159 1 266 . 1 1 26 26 ALA HB2 H 1 1.256 0.030 . 1 . . . . 26 ALA HB . 10159 1 267 . 1 1 26 26 ALA HB3 H 1 1.256 0.030 . 1 . . . . 26 ALA HB . 10159 1 268 . 1 1 26 26 ALA C C 13 176.973 0.300 . 1 . . . . 26 ALA C . 10159 1 269 . 1 1 27 27 VAL N N 15 118.422 0.300 . 1 . . . . 27 VAL N . 10159 1 270 . 1 1 27 27 VAL H H 1 8.046 0.030 . 1 . . . . 27 VAL H . 10159 1 271 . 1 1 27 27 VAL CA C 13 61.375 0.300 . 1 . . . . 27 VAL CA . 10159 1 272 . 1 1 27 27 VAL HA H 1 4.248 0.030 . 1 . . . . 27 VAL HA . 10159 1 273 . 1 1 27 27 VAL CB C 13 34.179 0.300 . 1 . . . . 27 VAL CB . 10159 1 274 . 1 1 27 27 VAL HB H 1 2.093 0.030 . 1 . . . . 27 VAL HB . 10159 1 275 . 1 1 27 27 VAL CG1 C 13 20.536 0.300 . 2 . . . . 27 VAL CG1 . 10159 1 276 . 1 1 27 27 VAL HG11 H 1 0.818 0.030 . 1 . . . . 27 VAL HG1 . 10159 1 277 . 1 1 27 27 VAL HG12 H 1 0.818 0.030 . 1 . . . . 27 VAL HG1 . 10159 1 278 . 1 1 27 27 VAL HG13 H 1 0.818 0.030 . 1 . . . . 27 VAL HG1 . 10159 1 279 . 1 1 27 27 VAL CG2 C 13 22.079 0.300 . 2 . . . . 27 VAL CG2 . 10159 1 280 . 1 1 27 27 VAL HG21 H 1 0.777 0.030 . 1 . . . . 27 VAL HG2 . 10159 1 281 . 1 1 27 27 VAL HG22 H 1 0.777 0.030 . 1 . . . . 27 VAL HG2 . 10159 1 282 . 1 1 27 27 VAL HG23 H 1 0.777 0.030 . 1 . . . . 27 VAL HG2 . 10159 1 283 . 1 1 27 27 VAL C C 13 175.445 0.300 . 1 . . . . 27 VAL C . 10159 1 284 . 1 1 28 28 ARG N N 15 122.785 0.300 . 1 . . . . 28 ARG N . 10159 1 285 . 1 1 28 28 ARG H H 1 8.275 0.030 . 1 . . . . 28 ARG H . 10159 1 286 . 1 1 28 28 ARG CA C 13 55.407 0.300 . 1 . . . . 28 ARG CA . 10159 1 287 . 1 1 28 28 ARG HA H 1 4.473 0.030 . 1 . . . . 28 ARG HA . 10159 1 288 . 1 1 28 28 ARG CB C 13 31.087 0.300 . 1 . . . . 28 ARG CB . 10159 1 289 . 1 1 28 28 ARG HB3 H 1 1.690 0.030 . 2 . . . . 28 ARG HB3 . 10159 1 290 . 1 1 28 28 ARG CG C 13 27.339 0.300 . 1 . . . . 28 ARG CG . 10159 1 291 . 1 1 28 28 ARG HG3 H 1 1.599 0.030 . 1 . . . . 28 ARG HG3 . 10159 1 292 . 1 1 28 28 ARG CD C 13 43.285 0.300 . 1 . . . . 28 ARG CD . 10159 1 293 . 1 1 28 28 ARG HD3 H 1 3.144 0.030 . 1 . . . . 28 ARG HD3 . 10159 1 294 . 1 1 28 28 ARG C C 13 176.528 0.300 . 1 . . . . 28 ARG C . 10159 1 295 . 1 1 28 28 ARG HB2 H 1 1.926 0.030 . 2 . . . . 28 ARG HB2 . 10159 1 296 . 1 1 28 28 ARG HD2 H 1 3.144 0.030 . 1 . . . . 28 ARG HD2 . 10159 1 297 . 1 1 28 28 ARG HG2 H 1 1.599 0.030 . 1 . . . . 28 ARG HG2 . 10159 1 298 . 1 1 29 29 LYS N N 15 121.704 0.300 . 1 . . . . 29 LYS N . 10159 1 299 . 1 1 29 29 LYS H H 1 8.484 0.030 . 1 . . . . 29 LYS H . 10159 1 300 . 1 1 29 29 LYS CA C 13 57.888 0.300 . 1 . . . . 29 LYS CA . 10159 1 301 . 1 1 29 29 LYS HA H 1 4.170 0.030 . 1 . . . . 29 LYS HA . 10159 1 302 . 1 1 29 29 LYS CB C 13 32.564 0.300 . 1 . . . . 29 LYS CB . 10159 1 303 . 1 1 29 29 LYS HB3 H 1 1.820 0.030 . 1 . . . . 29 LYS HB3 . 10159 1 304 . 1 1 29 29 LYS CG C 13 24.658 0.300 . 1 . . . . 29 LYS CG . 10159 1 305 . 1 1 29 29 LYS HG3 H 1 1.430 0.030 . 1 . . . . 29 LYS HG3 . 10159 1 306 . 1 1 29 29 LYS CD C 13 29.255 0.300 . 1 . . . . 29 LYS CD . 10159 1 307 . 1 1 29 29 LYS HD3 H 1 1.690 0.030 . 1 . . . . 29 LYS HD3 . 10159 1 308 . 1 1 29 29 LYS CE C 13 42.132 0.300 . 1 . . . . 29 LYS CE . 10159 1 309 . 1 1 29 29 LYS HE3 H 1 3.005 0.030 . 1 . . . . 29 LYS HE3 . 10159 1 310 . 1 1 29 29 LYS C C 13 177.124 0.300 . 1 . . . . 29 LYS C . 10159 1 311 . 1 1 29 29 LYS HB2 H 1 1.820 0.030 . 1 . . . . 29 LYS HB2 . 10159 1 312 . 1 1 29 29 LYS HD2 H 1 1.690 0.030 . 1 . . . . 29 LYS HD2 . 10159 1 313 . 1 1 29 29 LYS HE2 H 1 3.005 0.030 . 1 . . . . 29 LYS HE2 . 10159 1 314 . 1 1 29 29 LYS HG2 H 1 1.430 0.030 . 1 . . . . 29 LYS HG2 . 10159 1 315 . 1 1 30 30 GLY N N 15 109.946 0.300 . 1 . . . . 30 GLY N . 10159 1 316 . 1 1 30 30 GLY H H 1 8.546 0.030 . 1 . . . . 30 GLY H . 10159 1 317 . 1 1 30 30 GLY CA C 13 45.408 0.300 . 1 . . . . 30 GLY CA . 10159 1 318 . 1 1 30 30 GLY HA3 H 1 4.060 0.030 . 2 . . . . 30 GLY HA3 . 10159 1 319 . 1 1 30 30 GLY C C 13 173.961 0.300 . 1 . . . . 30 GLY C . 10159 1 320 . 1 1 30 30 GLY HA2 H 1 3.981 0.030 . 2 . . . . 30 GLY HA2 . 10159 1 321 . 1 1 31 31 GLU N N 15 118.290 0.300 . 1 . . . . 31 GLU N . 10159 1 322 . 1 1 31 31 GLU H H 1 8.088 0.030 . 1 . . . . 31 GLU H . 10159 1 323 . 1 1 31 31 GLU CA C 13 56.979 0.300 . 1 . . . . 31 GLU CA . 10159 1 324 . 1 1 31 31 GLU HA H 1 4.418 0.030 . 1 . . . . 31 GLU HA . 10159 1 325 . 1 1 31 31 GLU CB C 13 31.108 0.300 . 1 . . . . 31 GLU CB . 10159 1 326 . 1 1 31 31 GLU HB3 H 1 2.168 0.030 . 1 . . . . 31 GLU HB3 . 10159 1 327 . 1 1 31 31 GLU CG C 13 36.958 0.300 . 1 . . . . 31 GLU CG . 10159 1 328 . 1 1 31 31 GLU HG3 H 1 2.227 0.030 . 1 . . . . 31 GLU HG3 . 10159 1 329 . 1 1 31 31 GLU C C 13 176.184 0.300 . 1 . . . . 31 GLU C . 10159 1 330 . 1 1 31 31 GLU HB2 H 1 2.168 0.030 . 1 . . . . 31 GLU HB2 . 10159 1 331 . 1 1 31 31 GLU HG2 H 1 2.227 0.030 . 1 . . . . 31 GLU HG2 . 10159 1 332 . 1 1 32 32 ILE N N 15 121.780 0.300 . 1 . . . . 32 ILE N . 10159 1 333 . 1 1 32 32 ILE H H 1 8.155 0.030 . 1 . . . . 32 ILE H . 10159 1 334 . 1 1 32 32 ILE CA C 13 58.252 0.300 . 1 . . . . 32 ILE CA . 10159 1 335 . 1 1 32 32 ILE HA H 1 5.409 0.030 . 1 . . . . 32 ILE HA . 10159 1 336 . 1 1 32 32 ILE CB C 13 39.008 0.300 . 1 . . . . 32 ILE CB . 10159 1 337 . 1 1 32 32 ILE HB H 1 1.858 0.030 . 1 . . . . 32 ILE HB . 10159 1 338 . 1 1 32 32 ILE CG1 C 13 27.630 0.300 . 1 . . . . 32 ILE CG1 . 10159 1 339 . 1 1 32 32 ILE HG13 H 1 1.231 0.030 . 2 . . . . 32 ILE HG13 . 10159 1 340 . 1 1 32 32 ILE CG2 C 13 17.256 0.300 . 1 . . . . 32 ILE CG2 . 10159 1 341 . 1 1 32 32 ILE HG21 H 1 0.773 0.030 . 1 . . . . 32 ILE HG2 . 10159 1 342 . 1 1 32 32 ILE HG22 H 1 0.773 0.030 . 1 . . . . 32 ILE HG2 . 10159 1 343 . 1 1 32 32 ILE HG23 H 1 0.773 0.030 . 1 . . . . 32 ILE HG2 . 10159 1 344 . 1 1 32 32 ILE CD1 C 13 12.297 0.300 . 1 . . . . 32 ILE CD1 . 10159 1 345 . 1 1 32 32 ILE HD11 H 1 0.632 0.030 . 1 . . . . 32 ILE HD1 . 10159 1 346 . 1 1 32 32 ILE HD12 H 1 0.632 0.030 . 1 . . . . 32 ILE HD1 . 10159 1 347 . 1 1 32 32 ILE HD13 H 1 0.632 0.030 . 1 . . . . 32 ILE HD1 . 10159 1 348 . 1 1 32 32 ILE C C 13 175.262 0.300 . 1 . . . . 32 ILE C . 10159 1 349 . 1 1 32 32 ILE HG12 H 1 1.425 0.030 . 2 . . . . 32 ILE HG12 . 10159 1 350 . 1 1 33 33 THR N N 15 117.063 0.300 . 1 . . . . 33 THR N . 10159 1 351 . 1 1 33 33 THR H H 1 8.906 0.030 . 1 . . . . 33 THR H . 10159 1 352 . 1 1 33 33 THR CA C 13 59.591 0.300 . 1 . . . . 33 THR CA . 10159 1 353 . 1 1 33 33 THR HA H 1 4.707 0.030 . 1 . . . . 33 THR HA . 10159 1 354 . 1 1 33 33 THR CB C 13 72.003 0.300 . 1 . . . . 33 THR CB . 10159 1 355 . 1 1 33 33 THR HB H 1 4.202 0.030 . 1 . . . . 33 THR HB . 10159 1 356 . 1 1 33 33 THR CG2 C 13 21.629 0.300 . 1 . . . . 33 THR CG2 . 10159 1 357 . 1 1 33 33 THR HG21 H 1 1.107 0.030 . 1 . . . . 33 THR HG2 . 10159 1 358 . 1 1 33 33 THR HG22 H 1 1.107 0.030 . 1 . . . . 33 THR HG2 . 10159 1 359 . 1 1 33 33 THR HG23 H 1 1.107 0.030 . 1 . . . . 33 THR HG2 . 10159 1 360 . 1 1 33 33 THR C C 13 173.146 0.300 . 1 . . . . 33 THR C . 10159 1 361 . 1 1 34 34 GLY N N 15 106.583 0.300 . 1 . . . . 34 GLY N . 10159 1 362 . 1 1 34 34 GLY H H 1 8.603 0.030 . 1 . . . . 34 GLY H . 10159 1 363 . 1 1 34 34 GLY CA C 13 45.032 0.300 . 1 . . . . 34 GLY CA . 10159 1 364 . 1 1 34 34 GLY HA3 H 1 3.424 0.030 . 2 . . . . 34 GLY HA3 . 10159 1 365 . 1 1 34 34 GLY C C 13 172.260 0.300 . 1 . . . . 34 GLY C . 10159 1 366 . 1 1 34 34 GLY HA2 H 1 5.351 0.030 . 2 . . . . 34 GLY HA2 . 10159 1 367 . 1 1 35 35 GLU N N 15 118.818 0.300 . 1 . . . . 35 GLU N . 10159 1 368 . 1 1 35 35 GLU H H 1 8.756 0.030 . 1 . . . . 35 GLU H . 10159 1 369 . 1 1 35 35 GLU CA C 13 56.375 0.300 . 1 . . . . 35 GLU CA . 10159 1 370 . 1 1 35 35 GLU HA H 1 4.739 0.030 . 1 . . . . 35 GLU HA . 10159 1 371 . 1 1 35 35 GLU CB C 13 34.673 0.300 . 1 . . . . 35 GLU CB . 10159 1 372 . 1 1 35 35 GLU HB3 H 1 1.927 0.030 . 1 . . . . 35 GLU HB3 . 10159 1 373 . 1 1 35 35 GLU CG C 13 36.743 0.300 . 1 . . . . 35 GLU CG . 10159 1 374 . 1 1 35 35 GLU HG3 H 1 2.061 0.030 . 2 . . . . 35 GLU HG3 . 10159 1 375 . 1 1 35 35 GLU C C 13 173.645 0.300 . 1 . . . . 35 GLU C . 10159 1 376 . 1 1 35 35 GLU HB2 H 1 1.927 0.030 . 1 . . . . 35 GLU HB2 . 10159 1 377 . 1 1 35 35 GLU HG2 H 1 1.941 0.030 . 2 . . . . 35 GLU HG2 . 10159 1 378 . 1 1 36 36 VAL N N 15 124.835 0.300 . 1 . . . . 36 VAL N . 10159 1 379 . 1 1 36 36 VAL H H 1 9.291 0.030 . 1 . . . . 36 VAL H . 10159 1 380 . 1 1 36 36 VAL CA C 13 60.780 0.300 . 1 . . . . 36 VAL CA . 10159 1 381 . 1 1 36 36 VAL HA H 1 4.751 0.030 . 1 . . . . 36 VAL HA . 10159 1 382 . 1 1 36 36 VAL CB C 13 33.990 0.300 . 1 . . . . 36 VAL CB . 10159 1 383 . 1 1 36 36 VAL HB H 1 1.400 0.030 . 1 . . . . 36 VAL HB . 10159 1 384 . 1 1 36 36 VAL CG1 C 13 21.277 0.300 . 2 . . . . 36 VAL CG1 . 10159 1 385 . 1 1 36 36 VAL HG11 H 1 0.445 0.030 . 1 . . . . 36 VAL HG1 . 10159 1 386 . 1 1 36 36 VAL HG12 H 1 0.445 0.030 . 1 . . . . 36 VAL HG1 . 10159 1 387 . 1 1 36 36 VAL HG13 H 1 0.445 0.030 . 1 . . . . 36 VAL HG1 . 10159 1 388 . 1 1 36 36 VAL CG2 C 13 21.898 0.300 . 2 . . . . 36 VAL CG2 . 10159 1 389 . 1 1 36 36 VAL HG21 H 1 0.284 0.030 . 1 . . . . 36 VAL HG2 . 10159 1 390 . 1 1 36 36 VAL HG22 H 1 0.284 0.030 . 1 . . . . 36 VAL HG2 . 10159 1 391 . 1 1 36 36 VAL HG23 H 1 0.284 0.030 . 1 . . . . 36 VAL HG2 . 10159 1 392 . 1 1 36 36 VAL C C 13 174.137 0.300 . 1 . . . . 36 VAL C . 10159 1 393 . 1 1 37 37 HIS N N 15 126.324 0.300 . 1 . . . . 37 HIS N . 10159 1 394 . 1 1 37 37 HIS H H 1 9.294 0.030 . 1 . . . . 37 HIS H . 10159 1 395 . 1 1 37 37 HIS CA C 13 54.625 0.300 . 1 . . . . 37 HIS CA . 10159 1 396 . 1 1 37 37 HIS HA H 1 4.751 0.030 . 1 . . . . 37 HIS HA . 10159 1 397 . 1 1 37 37 HIS CB C 13 30.676 0.300 . 1 . . . . 37 HIS CB . 10159 1 398 . 1 1 37 37 HIS HB3 H 1 3.118 0.030 . 2 . . . . 37 HIS HB3 . 10159 1 399 . 1 1 37 37 HIS CD2 C 13 116.895 0.300 . 1 . . . . 37 HIS CD2 . 10159 1 400 . 1 1 37 37 HIS HD2 H 1 6.360 0.030 . 1 . . . . 37 HIS HD2 . 10159 1 401 . 1 1 37 37 HIS CE1 C 13 137.041 0.300 . 1 . . . . 37 HIS CE1 . 10159 1 402 . 1 1 37 37 HIS HE1 H 1 7.834 0.030 . 1 . . . . 37 HIS HE1 . 10159 1 403 . 1 1 37 37 HIS C C 13 174.317 0.300 . 1 . . . . 37 HIS C . 10159 1 404 . 1 1 37 37 HIS HB2 H 1 2.953 0.030 . 2 . . . . 37 HIS HB2 . 10159 1 405 . 1 1 38 38 MET N N 15 122.552 0.300 . 1 . . . . 38 MET N . 10159 1 406 . 1 1 38 38 MET H H 1 8.303 0.030 . 1 . . . . 38 MET H . 10159 1 407 . 1 1 38 38 MET CA C 13 54.086 0.300 . 1 . . . . 38 MET CA . 10159 1 408 . 1 1 38 38 MET HA H 1 4.089 0.030 . 1 . . . . 38 MET HA . 10159 1 409 . 1 1 38 38 MET CB C 13 32.900 0.300 . 1 . . . . 38 MET CB . 10159 1 410 . 1 1 38 38 MET HB3 H 1 1.683 0.030 . 2 . . . . 38 MET HB3 . 10159 1 411 . 1 1 38 38 MET CG C 13 32.165 0.300 . 1 . . . . 38 MET CG . 10159 1 412 . 1 1 38 38 MET HG3 H 1 2.505 0.030 . 2 . . . . 38 MET HG3 . 10159 1 413 . 1 1 38 38 MET CE C 13 18.491 0.300 . 1 . . . . 38 MET CE . 10159 1 414 . 1 1 38 38 MET HE1 H 1 1.887 0.030 . 1 . . . . 38 MET HE . 10159 1 415 . 1 1 38 38 MET HE2 H 1 1.887 0.030 . 1 . . . . 38 MET HE . 10159 1 416 . 1 1 38 38 MET HE3 H 1 1.887 0.030 . 1 . . . . 38 MET HE . 10159 1 417 . 1 1 38 38 MET C C 13 174.851 0.300 . 1 . . . . 38 MET C . 10159 1 418 . 1 1 38 38 MET HB2 H 1 1.717 0.030 . 2 . . . . 38 MET HB2 . 10159 1 419 . 1 1 38 38 MET HG2 H 1 2.120 0.030 . 2 . . . . 38 MET HG2 . 10159 1 420 . 1 1 39 39 PRO CA C 13 65.874 0.300 . 1 . . . . 39 PRO CA . 10159 1 421 . 1 1 39 39 PRO HA H 1 4.156 0.030 . 1 . . . . 39 PRO HA . 10159 1 422 . 1 1 39 39 PRO CB C 13 31.312 0.300 . 1 . . . . 39 PRO CB . 10159 1 423 . 1 1 39 39 PRO HB3 H 1 2.317 0.030 . 2 . . . . 39 PRO HB3 . 10159 1 424 . 1 1 39 39 PRO CG C 13 26.718 0.300 . 1 . . . . 39 PRO CG . 10159 1 425 . 1 1 39 39 PRO HG3 H 1 1.642 0.030 . 2 . . . . 39 PRO HG3 . 10159 1 426 . 1 1 39 39 PRO CD C 13 49.198 0.300 . 1 . . . . 39 PRO CD . 10159 1 427 . 1 1 39 39 PRO HD3 H 1 1.799 0.030 . 2 . . . . 39 PRO HD3 . 10159 1 428 . 1 1 39 39 PRO C C 13 178.047 0.300 . 1 . . . . 39 PRO C . 10159 1 429 . 1 1 39 39 PRO HB2 H 1 1.925 0.030 . 2 . . . . 39 PRO HB2 . 10159 1 430 . 1 1 39 39 PRO HD2 H 1 3.058 0.030 . 2 . . . . 39 PRO HD2 . 10159 1 431 . 1 1 39 39 PRO HG2 H 1 1.992 0.030 . 2 . . . . 39 PRO HG2 . 10159 1 432 . 1 1 40 40 SER N N 15 111.214 0.300 . 1 . . . . 40 SER N . 10159 1 433 . 1 1 40 40 SER H H 1 8.759 0.030 . 1 . . . . 40 SER H . 10159 1 434 . 1 1 40 40 SER CA C 13 59.667 0.300 . 1 . . . . 40 SER CA . 10159 1 435 . 1 1 40 40 SER HA H 1 4.089 0.030 . 1 . . . . 40 SER HA . 10159 1 436 . 1 1 40 40 SER CB C 13 62.726 0.300 . 1 . . . . 40 SER CB . 10159 1 437 . 1 1 40 40 SER HB3 H 1 4.049 0.030 . 2 . . . . 40 SER HB3 . 10159 1 438 . 1 1 40 40 SER C C 13 176.300 0.300 . 1 . . . . 40 SER C . 10159 1 439 . 1 1 40 40 SER HB2 H 1 3.905 0.030 . 2 . . . . 40 SER HB2 . 10159 1 440 . 1 1 41 41 GLY N N 15 111.180 0.300 . 1 . . . . 41 GLY N . 10159 1 441 . 1 1 41 41 GLY H H 1 8.293 0.030 . 1 . . . . 41 GLY H . 10159 1 442 . 1 1 41 41 GLY CA C 13 44.624 0.300 . 1 . . . . 41 GLY CA . 10159 1 443 . 1 1 41 41 GLY HA3 H 1 3.620 0.030 . 2 . . . . 41 GLY HA3 . 10159 1 444 . 1 1 41 41 GLY C C 13 174.516 0.300 . 1 . . . . 41 GLY C . 10159 1 445 . 1 1 41 41 GLY HA2 H 1 4.447 0.030 . 2 . . . . 41 GLY HA2 . 10159 1 446 . 1 1 42 42 LYS N N 15 120.452 0.300 . 1 . . . . 42 LYS N . 10159 1 447 . 1 1 42 42 LYS H H 1 7.038 0.030 . 1 . . . . 42 LYS H . 10159 1 448 . 1 1 42 42 LYS CA C 13 56.944 0.300 . 1 . . . . 42 LYS CA . 10159 1 449 . 1 1 42 42 LYS HA H 1 4.286 0.030 . 1 . . . . 42 LYS HA . 10159 1 450 . 1 1 42 42 LYS CB C 13 33.719 0.300 . 1 . . . . 42 LYS CB . 10159 1 451 . 1 1 42 42 LYS HB3 H 1 1.747 0.030 . 2 . . . . 42 LYS HB3 . 10159 1 452 . 1 1 42 42 LYS CG C 13 25.649 0.300 . 1 . . . . 42 LYS CG . 10159 1 453 . 1 1 42 42 LYS HG3 H 1 1.504 0.030 . 2 . . . . 42 LYS HG3 . 10159 1 454 . 1 1 42 42 LYS CD C 13 29.234 0.300 . 1 . . . . 42 LYS CD . 10159 1 455 . 1 1 42 42 LYS HD3 H 1 1.694 0.030 . 2 . . . . 42 LYS HD3 . 10159 1 456 . 1 1 42 42 LYS CE C 13 42.215 0.300 . 1 . . . . 42 LYS CE . 10159 1 457 . 1 1 42 42 LYS C C 13 175.050 0.300 . 1 . . . . 42 LYS C . 10159 1 458 . 1 1 42 42 LYS HB2 H 1 1.885 0.030 . 2 . . . . 42 LYS HB2 . 10159 1 459 . 1 1 42 42 LYS HD2 H 1 1.637 0.030 . 2 . . . . 42 LYS HD2 . 10159 1 460 . 1 1 42 42 LYS HE2 H 1 2.968 0.030 . 2 . . . . 42 LYS HE2 . 10159 1 461 . 1 1 42 42 LYS HG2 H 1 1.424 0.030 . 2 . . . . 42 LYS HG2 . 10159 1 462 . 1 1 43 43 THR N N 15 111.705 0.300 . 1 . . . . 43 THR N . 10159 1 463 . 1 1 43 43 THR H H 1 8.110 0.030 . 1 . . . . 43 THR H . 10159 1 464 . 1 1 43 43 THR CA C 13 59.653 0.300 . 1 . . . . 43 THR CA . 10159 1 465 . 1 1 43 43 THR HA H 1 5.450 0.030 . 1 . . . . 43 THR HA . 10159 1 466 . 1 1 43 43 THR CB C 13 71.842 0.300 . 1 . . . . 43 THR CB . 10159 1 467 . 1 1 43 43 THR HB H 1 3.896 0.030 . 1 . . . . 43 THR HB . 10159 1 468 . 1 1 43 43 THR CG2 C 13 21.397 0.300 . 1 . . . . 43 THR CG2 . 10159 1 469 . 1 1 43 43 THR HG21 H 1 0.775 0.030 . 1 . . . . 43 THR HG2 . 10159 1 470 . 1 1 43 43 THR HG22 H 1 0.775 0.030 . 1 . . . . 43 THR HG2 . 10159 1 471 . 1 1 43 43 THR HG23 H 1 0.775 0.030 . 1 . . . . 43 THR HG2 . 10159 1 472 . 1 1 43 43 THR C C 13 174.054 0.300 . 1 . . . . 43 THR C . 10159 1 473 . 1 1 44 44 ALA N N 15 123.338 0.300 . 1 . . . . 44 ALA N . 10159 1 474 . 1 1 44 44 ALA H H 1 8.683 0.030 . 1 . . . . 44 ALA H . 10159 1 475 . 1 1 44 44 ALA CA C 13 50.752 0.300 . 1 . . . . 44 ALA CA . 10159 1 476 . 1 1 44 44 ALA HA H 1 4.798 0.030 . 1 . . . . 44 ALA HA . 10159 1 477 . 1 1 44 44 ALA CB C 13 24.091 0.300 . 1 . . . . 44 ALA CB . 10159 1 478 . 1 1 44 44 ALA HB1 H 1 1.479 0.030 . 1 . . . . 44 ALA HB . 10159 1 479 . 1 1 44 44 ALA HB2 H 1 1.479 0.030 . 1 . . . . 44 ALA HB . 10159 1 480 . 1 1 44 44 ALA HB3 H 1 1.479 0.030 . 1 . . . . 44 ALA HB . 10159 1 481 . 1 1 44 44 ALA C C 13 175.947 0.300 . 1 . . . . 44 ALA C . 10159 1 482 . 1 1 45 45 THR N N 15 117.733 0.300 . 1 . . . . 45 THR N . 10159 1 483 . 1 1 45 45 THR H H 1 8.934 0.030 . 1 . . . . 45 THR H . 10159 1 484 . 1 1 45 45 THR CA C 13 59.517 0.300 . 1 . . . . 45 THR CA . 10159 1 485 . 1 1 45 45 THR HA H 1 4.894 0.030 . 1 . . . . 45 THR HA . 10159 1 486 . 1 1 45 45 THR CB C 13 70.403 0.300 . 1 . . . . 45 THR CB . 10159 1 487 . 1 1 45 45 THR HB H 1 4.155 0.030 . 1 . . . . 45 THR HB . 10159 1 488 . 1 1 45 45 THR CG2 C 13 21.640 0.300 . 1 . . . . 45 THR CG2 . 10159 1 489 . 1 1 45 45 THR HG21 H 1 1.527 0.030 . 1 . . . . 45 THR HG2 . 10159 1 490 . 1 1 45 45 THR HG22 H 1 1.527 0.030 . 1 . . . . 45 THR HG2 . 10159 1 491 . 1 1 45 45 THR HG23 H 1 1.527 0.030 . 1 . . . . 45 THR HG2 . 10159 1 492 . 1 1 45 45 THR C C 13 173.394 0.300 . 1 . . . . 45 THR C . 10159 1 493 . 1 1 46 46 PRO CA C 13 62.017 0.300 . 1 . . . . 46 PRO CA . 10159 1 494 . 1 1 46 46 PRO HA H 1 4.978 0.030 . 1 . . . . 46 PRO HA . 10159 1 495 . 1 1 46 46 PRO CB C 13 32.885 0.300 . 1 . . . . 46 PRO CB . 10159 1 496 . 1 1 46 46 PRO HB3 H 1 1.799 0.030 . 2 . . . . 46 PRO HB3 . 10159 1 497 . 1 1 46 46 PRO CG C 13 26.175 0.300 . 1 . . . . 46 PRO CG . 10159 1 498 . 1 1 46 46 PRO HG3 H 1 1.723 0.030 . 2 . . . . 46 PRO HG3 . 10159 1 499 . 1 1 46 46 PRO CD C 13 49.605 0.300 . 1 . . . . 46 PRO CD . 10159 1 500 . 1 1 46 46 PRO HD3 H 1 3.439 0.030 . 2 . . . . 46 PRO HD3 . 10159 1 501 . 1 1 46 46 PRO C C 13 173.937 0.300 . 1 . . . . 46 PRO C . 10159 1 502 . 1 1 46 46 PRO HB2 H 1 2.190 0.030 . 2 . . . . 46 PRO HB2 . 10159 1 503 . 1 1 46 46 PRO HD2 H 1 3.930 0.030 . 2 . . . . 46 PRO HD2 . 10159 1 504 . 1 1 46 46 PRO HG2 H 1 1.674 0.030 . 2 . . . . 46 PRO HG2 . 10159 1 505 . 1 1 47 47 GLU N N 15 120.450 0.300 . 1 . . . . 47 GLU N . 10159 1 506 . 1 1 47 47 GLU H H 1 8.894 0.030 . 1 . . . . 47 GLU H . 10159 1 507 . 1 1 47 47 GLU CA C 13 56.040 0.300 . 1 . . . . 47 GLU CA . 10159 1 508 . 1 1 47 47 GLU HA H 1 4.409 0.030 . 1 . . . . 47 GLU HA . 10159 1 509 . 1 1 47 47 GLU CB C 13 31.436 0.300 . 1 . . . . 47 GLU CB . 10159 1 510 . 1 1 47 47 GLU HB3 H 1 2.043 0.030 . 2 . . . . 47 GLU HB3 . 10159 1 511 . 1 1 47 47 GLU CG C 13 36.465 0.300 . 1 . . . . 47 GLU CG . 10159 1 512 . 1 1 47 47 GLU HG3 H 1 2.313 0.030 . 2 . . . . 47 GLU HG3 . 10159 1 513 . 1 1 47 47 GLU C C 13 175.160 0.300 . 1 . . . . 47 GLU C . 10159 1 514 . 1 1 47 47 GLU HB2 H 1 1.980 0.030 . 2 . . . . 47 GLU HB2 . 10159 1 515 . 1 1 47 47 GLU HG2 H 1 2.140 0.030 . 2 . . . . 47 GLU HG2 . 10159 1 516 . 1 1 48 48 ILE N N 15 124.818 0.300 . 1 . . . . 48 ILE N . 10159 1 517 . 1 1 48 48 ILE H H 1 8.467 0.030 . 1 . . . . 48 ILE H . 10159 1 518 . 1 1 48 48 ILE CA C 13 60.408 0.300 . 1 . . . . 48 ILE CA . 10159 1 519 . 1 1 48 48 ILE HA H 1 4.727 0.030 . 1 . . . . 48 ILE HA . 10159 1 520 . 1 1 48 48 ILE CB C 13 38.177 0.300 . 1 . . . . 48 ILE CB . 10159 1 521 . 1 1 48 48 ILE HB H 1 1.853 0.030 . 1 . . . . 48 ILE HB . 10159 1 522 . 1 1 48 48 ILE CG1 C 13 27.528 0.300 . 1 . . . . 48 ILE CG1 . 10159 1 523 . 1 1 48 48 ILE HG13 H 1 1.079 0.030 . 2 . . . . 48 ILE HG13 . 10159 1 524 . 1 1 48 48 ILE CG2 C 13 17.585 0.300 . 1 . . . . 48 ILE CG2 . 10159 1 525 . 1 1 48 48 ILE HG21 H 1 0.692 0.030 . 1 . . . . 48 ILE HG2 . 10159 1 526 . 1 1 48 48 ILE HG22 H 1 0.692 0.030 . 1 . . . . 48 ILE HG2 . 10159 1 527 . 1 1 48 48 ILE HG23 H 1 0.692 0.030 . 1 . . . . 48 ILE HG2 . 10159 1 528 . 1 1 48 48 ILE CD1 C 13 12.821 0.300 . 1 . . . . 48 ILE CD1 . 10159 1 529 . 1 1 48 48 ILE HD11 H 1 0.696 0.030 . 1 . . . . 48 ILE HD1 . 10159 1 530 . 1 1 48 48 ILE HD12 H 1 0.696 0.030 . 1 . . . . 48 ILE HD1 . 10159 1 531 . 1 1 48 48 ILE HD13 H 1 0.696 0.030 . 1 . . . . 48 ILE HD1 . 10159 1 532 . 1 1 48 48 ILE C C 13 175.681 0.300 . 1 . . . . 48 ILE C . 10159 1 533 . 1 1 48 48 ILE HG12 H 1 1.519 0.030 . 2 . . . . 48 ILE HG12 . 10159 1 534 . 1 1 49 49 VAL N N 15 129.411 0.300 . 1 . . . . 49 VAL N . 10159 1 535 . 1 1 49 49 VAL H H 1 9.417 0.030 . 1 . . . . 49 VAL H . 10159 1 536 . 1 1 49 49 VAL CA C 13 61.259 0.300 . 1 . . . . 49 VAL CA . 10159 1 537 . 1 1 49 49 VAL HA H 1 4.188 0.030 . 1 . . . . 49 VAL HA . 10159 1 538 . 1 1 49 49 VAL CB C 13 34.719 0.300 . 1 . . . . 49 VAL CB . 10159 1 539 . 1 1 49 49 VAL HB H 1 1.989 0.030 . 1 . . . . 49 VAL HB . 10159 1 540 . 1 1 49 49 VAL CG1 C 13 20.619 0.300 . 1 . . . . 49 VAL CG1 . 10159 1 541 . 1 1 49 49 VAL HG11 H 1 0.817 0.030 . 1 . . . . 49 VAL HG1 . 10159 1 542 . 1 1 49 49 VAL HG12 H 1 0.817 0.030 . 1 . . . . 49 VAL HG1 . 10159 1 543 . 1 1 49 49 VAL HG13 H 1 0.817 0.030 . 1 . . . . 49 VAL HG1 . 10159 1 544 . 1 1 49 49 VAL CG2 C 13 20.619 0.300 . 1 . . . . 49 VAL CG2 . 10159 1 545 . 1 1 49 49 VAL HG21 H 1 0.817 0.030 . 1 . . . . 49 VAL HG2 . 10159 1 546 . 1 1 49 49 VAL HG22 H 1 0.817 0.030 . 1 . . . . 49 VAL HG2 . 10159 1 547 . 1 1 49 49 VAL HG23 H 1 0.817 0.030 . 1 . . . . 49 VAL HG2 . 10159 1 548 . 1 1 49 49 VAL C C 13 174.654 0.300 . 1 . . . . 49 VAL C . 10159 1 549 . 1 1 50 50 ASP N N 15 125.078 0.300 . 1 . . . . 50 ASP N . 10159 1 550 . 1 1 50 50 ASP H H 1 8.664 0.030 . 1 . . . . 50 ASP H . 10159 1 551 . 1 1 50 50 ASP CA C 13 53.899 0.300 . 1 . . . . 50 ASP CA . 10159 1 552 . 1 1 50 50 ASP HA H 1 4.683 0.030 . 1 . . . . 50 ASP HA . 10159 1 553 . 1 1 50 50 ASP CB C 13 41.270 0.300 . 1 . . . . 50 ASP CB . 10159 1 554 . 1 1 50 50 ASP HB3 H 1 2.590 0.030 . 2 . . . . 50 ASP HB3 . 10159 1 555 . 1 1 50 50 ASP C C 13 176.440 0.300 . 1 . . . . 50 ASP C . 10159 1 556 . 1 1 50 50 ASP HB2 H 1 2.865 0.030 . 2 . . . . 50 ASP HB2 . 10159 1 557 . 1 1 51 51 ASN N N 15 123.926 0.300 . 1 . . . . 51 ASN N . 10159 1 558 . 1 1 51 51 ASN H H 1 8.212 0.030 . 1 . . . . 51 ASN H . 10159 1 559 . 1 1 51 51 ASN CA C 13 53.917 0.300 . 1 . . . . 51 ASN CA . 10159 1 560 . 1 1 51 51 ASN HA H 1 4.703 0.030 . 1 . . . . 51 ASN HA . 10159 1 561 . 1 1 51 51 ASN CB C 13 38.667 0.300 . 1 . . . . 51 ASN CB . 10159 1 562 . 1 1 51 51 ASN HB3 H 1 2.691 0.030 . 2 . . . . 51 ASN HB3 . 10159 1 563 . 1 1 51 51 ASN ND2 N 15 114.553 0.300 . 1 . . . . 51 ASN ND2 . 10159 1 564 . 1 1 51 51 ASN HD21 H 1 7.625 0.030 . 2 . . . . 51 ASN HD21 . 10159 1 565 . 1 1 51 51 ASN HD22 H 1 7.316 0.030 . 2 . . . . 51 ASN HD22 . 10159 1 566 . 1 1 51 51 ASN C C 13 176.260 0.300 . 1 . . . . 51 ASN C . 10159 1 567 . 1 1 51 51 ASN HB2 H 1 2.898 0.030 . 2 . . . . 51 ASN HB2 . 10159 1 568 . 1 1 52 52 LYS N N 15 115.640 0.300 . 1 . . . . 52 LYS N . 10159 1 569 . 1 1 52 52 LYS H H 1 9.145 0.030 . 1 . . . . 52 LYS H . 10159 1 570 . 1 1 52 52 LYS CA C 13 58.127 0.300 . 1 . . . . 52 LYS CA . 10159 1 571 . 1 1 52 52 LYS HA H 1 4.040 0.030 . 1 . . . . 52 LYS HA . 10159 1 572 . 1 1 52 52 LYS CB C 13 29.405 0.300 . 1 . . . . 52 LYS CB . 10159 1 573 . 1 1 52 52 LYS HB3 H 1 2.090 0.030 . 2 . . . . 52 LYS HB3 . 10159 1 574 . 1 1 52 52 LYS CG C 13 24.863 0.300 . 1 . . . . 52 LYS CG . 10159 1 575 . 1 1 52 52 LYS HG3 H 1 1.362 0.030 . 2 . . . . 52 LYS HG3 . 10159 1 576 . 1 1 52 52 LYS CD C 13 28.794 0.300 . 1 . . . . 52 LYS CD . 10159 1 577 . 1 1 52 52 LYS HD3 H 1 1.696 0.030 . 2 . . . . 52 LYS HD3 . 10159 1 578 . 1 1 52 52 LYS CE C 13 42.212 0.300 . 1 . . . . 52 LYS CE . 10159 1 579 . 1 1 52 52 LYS HE3 H 1 2.985 0.030 . 1 . . . . 52 LYS HE3 . 10159 1 580 . 1 1 52 52 LYS C C 13 175.471 0.300 . 1 . . . . 52 LYS C . 10159 1 581 . 1 1 52 52 LYS HB2 H 1 1.970 0.030 . 2 . . . . 52 LYS HB2 . 10159 1 582 . 1 1 52 52 LYS HD2 H 1 1.620 0.030 . 2 . . . . 52 LYS HD2 . 10159 1 583 . 1 1 52 52 LYS HE2 H 1 2.985 0.030 . 1 . . . . 52 LYS HE2 . 10159 1 584 . 1 1 52 52 LYS HG2 H 1 1.310 0.030 . 2 . . . . 52 LYS HG2 . 10159 1 585 . 1 1 53 53 ASP N N 15 117.607 0.300 . 1 . . . . 53 ASP N . 10159 1 586 . 1 1 53 53 ASP H H 1 7.824 0.030 . 1 . . . . 53 ASP H . 10159 1 587 . 1 1 53 53 ASP CA C 13 52.598 0.300 . 1 . . . . 53 ASP CA . 10159 1 588 . 1 1 53 53 ASP HA H 1 4.690 0.030 . 1 . . . . 53 ASP HA . 10159 1 589 . 1 1 53 53 ASP CB C 13 40.929 0.300 . 1 . . . . 53 ASP CB . 10159 1 590 . 1 1 53 53 ASP HB3 H 1 2.425 0.030 . 2 . . . . 53 ASP HB3 . 10159 1 591 . 1 1 53 53 ASP C C 13 177.173 0.300 . 1 . . . . 53 ASP C . 10159 1 592 . 1 1 53 53 ASP HB2 H 1 3.034 0.030 . 2 . . . . 53 ASP HB2 . 10159 1 593 . 1 1 54 54 GLY N N 15 108.692 0.300 . 1 . . . . 54 GLY N . 10159 1 594 . 1 1 54 54 GLY H H 1 8.548 0.030 . 1 . . . . 54 GLY H . 10159 1 595 . 1 1 54 54 GLY CA C 13 45.161 0.300 . 1 . . . . 54 GLY CA . 10159 1 596 . 1 1 54 54 GLY HA3 H 1 3.653 0.030 . 2 . . . . 54 GLY HA3 . 10159 1 597 . 1 1 54 54 GLY C C 13 173.737 0.300 . 1 . . . . 54 GLY C . 10159 1 598 . 1 1 54 54 GLY HA2 H 1 4.372 0.030 . 2 . . . . 54 GLY HA2 . 10159 1 599 . 1 1 55 55 THR N N 15 110.165 0.300 . 1 . . . . 55 THR N . 10159 1 600 . 1 1 55 55 THR H H 1 7.929 0.030 . 1 . . . . 55 THR H . 10159 1 601 . 1 1 55 55 THR CA C 13 60.412 0.300 . 1 . . . . 55 THR CA . 10159 1 602 . 1 1 55 55 THR HA H 1 5.100 0.030 . 1 . . . . 55 THR HA . 10159 1 603 . 1 1 55 55 THR CB C 13 73.027 0.300 . 1 . . . . 55 THR CB . 10159 1 604 . 1 1 55 55 THR HB H 1 4.264 0.030 . 1 . . . . 55 THR HB . 10159 1 605 . 1 1 55 55 THR CG2 C 13 21.121 0.300 . 1 . . . . 55 THR CG2 . 10159 1 606 . 1 1 55 55 THR HG21 H 1 0.921 0.030 . 1 . . . . 55 THR HG2 . 10159 1 607 . 1 1 55 55 THR HG22 H 1 0.921 0.030 . 1 . . . . 55 THR HG2 . 10159 1 608 . 1 1 55 55 THR HG23 H 1 0.921 0.030 . 1 . . . . 55 THR HG2 . 10159 1 609 . 1 1 55 55 THR C C 13 174.206 0.300 . 1 . . . . 55 THR C . 10159 1 610 . 1 1 56 56 VAL N N 15 115.822 0.300 . 1 . . . . 56 VAL N . 10159 1 611 . 1 1 56 56 VAL H H 1 8.581 0.030 . 1 . . . . 56 VAL H . 10159 1 612 . 1 1 56 56 VAL CA C 13 59.608 0.300 . 1 . . . . 56 VAL CA . 10159 1 613 . 1 1 56 56 VAL HA H 1 5.132 0.030 . 1 . . . . 56 VAL HA . 10159 1 614 . 1 1 56 56 VAL CB C 13 35.607 0.300 . 1 . . . . 56 VAL CB . 10159 1 615 . 1 1 56 56 VAL HB H 1 1.860 0.030 . 1 . . . . 56 VAL HB . 10159 1 616 . 1 1 56 56 VAL CG1 C 13 20.411 0.300 . 2 . . . . 56 VAL CG1 . 10159 1 617 . 1 1 56 56 VAL HG11 H 1 0.740 0.030 . 1 . . . . 56 VAL HG1 . 10159 1 618 . 1 1 56 56 VAL HG12 H 1 0.740 0.030 . 1 . . . . 56 VAL HG1 . 10159 1 619 . 1 1 56 56 VAL HG13 H 1 0.740 0.030 . 1 . . . . 56 VAL HG1 . 10159 1 620 . 1 1 56 56 VAL CG2 C 13 21.794 0.300 . 2 . . . . 56 VAL CG2 . 10159 1 621 . 1 1 56 56 VAL HG21 H 1 0.808 0.030 . 1 . . . . 56 VAL HG2 . 10159 1 622 . 1 1 56 56 VAL HG22 H 1 0.808 0.030 . 1 . . . . 56 VAL HG2 . 10159 1 623 . 1 1 56 56 VAL HG23 H 1 0.808 0.030 . 1 . . . . 56 VAL HG2 . 10159 1 624 . 1 1 56 56 VAL C C 13 174.437 0.300 . 1 . . . . 56 VAL C . 10159 1 625 . 1 1 57 57 THR N N 15 120.574 0.300 . 1 . . . . 57 THR N . 10159 1 626 . 1 1 57 57 THR H H 1 9.151 0.030 . 1 . . . . 57 THR H . 10159 1 627 . 1 1 57 57 THR CA C 13 61.543 0.300 . 1 . . . . 57 THR CA . 10159 1 628 . 1 1 57 57 THR HA H 1 5.021 0.030 . 1 . . . . 57 THR HA . 10159 1 629 . 1 1 57 57 THR CB C 13 71.080 0.300 . 1 . . . . 57 THR CB . 10159 1 630 . 1 1 57 57 THR HB H 1 3.868 0.030 . 1 . . . . 57 THR HB . 10159 1 631 . 1 1 57 57 THR CG2 C 13 22.251 0.300 . 1 . . . . 57 THR CG2 . 10159 1 632 . 1 1 57 57 THR HG21 H 1 0.968 0.030 . 1 . . . . 57 THR HG2 . 10159 1 633 . 1 1 57 57 THR HG22 H 1 0.968 0.030 . 1 . . . . 57 THR HG2 . 10159 1 634 . 1 1 57 57 THR HG23 H 1 0.968 0.030 . 1 . . . . 57 THR HG2 . 10159 1 635 . 1 1 57 57 THR C C 13 173.190 0.300 . 1 . . . . 57 THR C . 10159 1 636 . 1 1 58 58 VAL N N 15 127.832 0.300 . 1 . . . . 58 VAL N . 10159 1 637 . 1 1 58 58 VAL H H 1 9.296 0.030 . 1 . . . . 58 VAL H . 10159 1 638 . 1 1 58 58 VAL CA C 13 61.204 0.300 . 1 . . . . 58 VAL CA . 10159 1 639 . 1 1 58 58 VAL HA H 1 4.774 0.030 . 1 . . . . 58 VAL HA . 10159 1 640 . 1 1 58 58 VAL CB C 13 32.626 0.300 . 1 . . . . 58 VAL CB . 10159 1 641 . 1 1 58 58 VAL HB H 1 2.033 0.030 . 1 . . . . 58 VAL HB . 10159 1 642 . 1 1 58 58 VAL CG1 C 13 21.775 0.300 . 2 . . . . 58 VAL CG1 . 10159 1 643 . 1 1 58 58 VAL HG11 H 1 0.860 0.030 . 1 . . . . 58 VAL HG1 . 10159 1 644 . 1 1 58 58 VAL HG12 H 1 0.860 0.030 . 1 . . . . 58 VAL HG1 . 10159 1 645 . 1 1 58 58 VAL HG13 H 1 0.860 0.030 . 1 . . . . 58 VAL HG1 . 10159 1 646 . 1 1 58 58 VAL CG2 C 13 20.860 0.300 . 2 . . . . 58 VAL CG2 . 10159 1 647 . 1 1 58 58 VAL HG21 H 1 0.861 0.030 . 1 . . . . 58 VAL HG2 . 10159 1 648 . 1 1 58 58 VAL HG22 H 1 0.861 0.030 . 1 . . . . 58 VAL HG2 . 10159 1 649 . 1 1 58 58 VAL HG23 H 1 0.861 0.030 . 1 . . . . 58 VAL HG2 . 10159 1 650 . 1 1 58 58 VAL C C 13 173.991 0.300 . 1 . . . . 58 VAL C . 10159 1 651 . 1 1 59 59 ARG N N 15 126.761 0.300 . 1 . . . . 59 ARG N . 10159 1 652 . 1 1 59 59 ARG H H 1 9.190 0.030 . 1 . . . . 59 ARG H . 10159 1 653 . 1 1 59 59 ARG CA C 13 54.384 0.300 . 1 . . . . 59 ARG CA . 10159 1 654 . 1 1 59 59 ARG HA H 1 5.488 0.030 . 1 . . . . 59 ARG HA . 10159 1 655 . 1 1 59 59 ARG CB C 13 34.262 0.300 . 1 . . . . 59 ARG CB . 10159 1 656 . 1 1 59 59 ARG HB3 H 1 1.632 0.030 . 1 . . . . 59 ARG HB3 . 10159 1 657 . 1 1 59 59 ARG CG C 13 27.290 0.300 . 1 . . . . 59 ARG CG . 10159 1 658 . 1 1 59 59 ARG HG3 H 1 1.475 0.030 . 1 . . . . 59 ARG HG3 . 10159 1 659 . 1 1 59 59 ARG CD C 13 43.520 0.300 . 1 . . . . 59 ARG CD . 10159 1 660 . 1 1 59 59 ARG HD3 H 1 3.076 0.030 . 2 . . . . 59 ARG HD3 . 10159 1 661 . 1 1 59 59 ARG C C 13 174.849 0.300 . 1 . . . . 59 ARG C . 10159 1 662 . 1 1 59 59 ARG HB2 H 1 1.632 0.030 . 1 . . . . 59 ARG HB2 . 10159 1 663 . 1 1 59 59 ARG HD2 H 1 3.001 0.030 . 2 . . . . 59 ARG HD2 . 10159 1 664 . 1 1 59 59 ARG HG2 H 1 1.475 0.030 . 1 . . . . 59 ARG HG2 . 10159 1 665 . 1 1 60 60 TYR N N 15 123.838 0.300 . 1 . . . . 60 TYR N . 10159 1 666 . 1 1 60 60 TYR H H 1 9.164 0.030 . 1 . . . . 60 TYR H . 10159 1 667 . 1 1 60 60 TYR CA C 13 56.684 0.300 . 1 . . . . 60 TYR CA . 10159 1 668 . 1 1 60 60 TYR HA H 1 5.024 0.030 . 1 . . . . 60 TYR HA . 10159 1 669 . 1 1 60 60 TYR CB C 13 42.761 0.300 . 1 . . . . 60 TYR CB . 10159 1 670 . 1 1 60 60 TYR HB3 H 1 2.497 0.030 . 2 . . . . 60 TYR HB3 . 10159 1 671 . 1 1 60 60 TYR CE1 C 13 119.681 0.300 . 3 . . . . 60 TYR CE1 . 10159 1 672 . 1 1 60 60 TYR HE1 H 1 6.665 0.030 . 3 . . . . 60 TYR HE1 . 10159 1 673 . 1 1 60 60 TYR CE2 C 13 116.626 0.300 . 3 . . . . 60 TYR CE2 . 10159 1 674 . 1 1 60 60 TYR HE2 H 1 6.657 0.030 . 3 . . . . 60 TYR HE2 . 10159 1 675 . 1 1 60 60 TYR C C 13 171.861 0.300 . 1 . . . . 60 TYR C . 10159 1 676 . 1 1 60 60 TYR HB2 H 1 2.810 0.030 . 2 . . . . 60 TYR HB2 . 10159 1 677 . 1 1 61 61 ALA N N 15 134.382 0.300 . 1 . . . . 61 ALA N . 10159 1 678 . 1 1 61 61 ALA H H 1 8.023 0.030 . 1 . . . . 61 ALA H . 10159 1 679 . 1 1 61 61 ALA CA C 13 47.869 0.300 . 1 . . . . 61 ALA CA . 10159 1 680 . 1 1 61 61 ALA HA H 1 4.670 0.030 . 1 . . . . 61 ALA HA . 10159 1 681 . 1 1 61 61 ALA CB C 13 18.685 0.300 . 1 . . . . 61 ALA CB . 10159 1 682 . 1 1 61 61 ALA HB1 H 1 1.142 0.030 . 1 . . . . 61 ALA HB . 10159 1 683 . 1 1 61 61 ALA HB2 H 1 1.142 0.030 . 1 . . . . 61 ALA HB . 10159 1 684 . 1 1 61 61 ALA HB3 H 1 1.142 0.030 . 1 . . . . 61 ALA HB . 10159 1 685 . 1 1 61 61 ALA C C 13 172.714 0.300 . 1 . . . . 61 ALA C . 10159 1 686 . 1 1 62 62 PRO CA C 13 62.455 0.300 . 1 . . . . 62 PRO CA . 10159 1 687 . 1 1 62 62 PRO HA H 1 4.137 0.030 . 1 . . . . 62 PRO HA . 10159 1 688 . 1 1 62 62 PRO CB C 13 33.972 0.300 . 1 . . . . 62 PRO CB . 10159 1 689 . 1 1 62 62 PRO HB3 H 1 2.094 0.030 . 2 . . . . 62 PRO HB3 . 10159 1 690 . 1 1 62 62 PRO CG C 13 27.992 0.300 . 1 . . . . 62 PRO CG . 10159 1 691 . 1 1 62 62 PRO HG3 H 1 2.077 0.030 . 2 . . . . 62 PRO HG3 . 10159 1 692 . 1 1 62 62 PRO CD C 13 51.444 0.300 . 1 . . . . 62 PRO CD . 10159 1 693 . 1 1 62 62 PRO HD3 H 1 4.319 0.030 . 2 . . . . 62 PRO HD3 . 10159 1 694 . 1 1 62 62 PRO C C 13 175.567 0.300 . 1 . . . . 62 PRO C . 10159 1 695 . 1 1 62 62 PRO HB2 H 1 1.429 0.030 . 2 . . . . 62 PRO HB2 . 10159 1 696 . 1 1 62 62 PRO HD2 H 1 3.329 0.030 . 2 . . . . 62 PRO HD2 . 10159 1 697 . 1 1 62 62 PRO HG2 H 1 1.684 0.030 . 2 . . . . 62 PRO HG2 . 10159 1 698 . 1 1 63 63 THR N N 15 106.145 0.300 . 1 . . . . 63 THR N . 10159 1 699 . 1 1 63 63 THR H H 1 8.819 0.030 . 1 . . . . 63 THR H . 10159 1 700 . 1 1 63 63 THR CA C 13 60.795 0.300 . 1 . . . . 63 THR CA . 10159 1 701 . 1 1 63 63 THR HA H 1 4.278 0.030 . 1 . . . . 63 THR HA . 10159 1 702 . 1 1 63 63 THR CB C 13 70.379 0.300 . 1 . . . . 63 THR CB . 10159 1 703 . 1 1 63 63 THR HB H 1 4.453 0.030 . 1 . . . . 63 THR HB . 10159 1 704 . 1 1 63 63 THR CG2 C 13 22.066 0.300 . 1 . . . . 63 THR CG2 . 10159 1 705 . 1 1 63 63 THR HG21 H 1 1.119 0.030 . 1 . . . . 63 THR HG2 . 10159 1 706 . 1 1 63 63 THR HG22 H 1 1.119 0.030 . 1 . . . . 63 THR HG2 . 10159 1 707 . 1 1 63 63 THR HG23 H 1 1.119 0.030 . 1 . . . . 63 THR HG2 . 10159 1 708 . 1 1 63 63 THR C C 13 173.771 0.300 . 1 . . . . 63 THR C . 10159 1 709 . 1 1 64 64 GLU N N 15 119.851 0.300 . 1 . . . . 64 GLU N . 10159 1 710 . 1 1 64 64 GLU H H 1 7.217 0.030 . 1 . . . . 64 GLU H . 10159 1 711 . 1 1 64 64 GLU CA C 13 54.483 0.300 . 1 . . . . 64 GLU CA . 10159 1 712 . 1 1 64 64 GLU HA H 1 4.560 0.030 . 1 . . . . 64 GLU HA . 10159 1 713 . 1 1 64 64 GLU CB C 13 33.675 0.300 . 1 . . . . 64 GLU CB . 10159 1 714 . 1 1 64 64 GLU HB3 H 1 1.735 0.030 . 2 . . . . 64 GLU HB3 . 10159 1 715 . 1 1 64 64 GLU CG C 13 35.718 0.300 . 1 . . . . 64 GLU CG . 10159 1 716 . 1 1 64 64 GLU HG3 H 1 2.210 0.030 . 2 . . . . 64 GLU HG3 . 10159 1 717 . 1 1 64 64 GLU C C 13 173.177 0.300 . 1 . . . . 64 GLU C . 10159 1 718 . 1 1 64 64 GLU HB2 H 1 2.099 0.030 . 2 . . . . 64 GLU HB2 . 10159 1 719 . 1 1 64 64 GLU HG2 H 1 2.078 0.030 . 2 . . . . 64 GLU HG2 . 10159 1 720 . 1 1 65 65 VAL N N 15 114.914 0.300 . 1 . . . . 65 VAL N . 10159 1 721 . 1 1 65 65 VAL H H 1 7.740 0.030 . 1 . . . . 65 VAL H . 10159 1 722 . 1 1 65 65 VAL CA C 13 61.412 0.300 . 1 . . . . 65 VAL CA . 10159 1 723 . 1 1 65 65 VAL HA H 1 3.730 0.030 . 1 . . . . 65 VAL HA . 10159 1 724 . 1 1 65 65 VAL CB C 13 33.477 0.300 . 1 . . . . 65 VAL CB . 10159 1 725 . 1 1 65 65 VAL HB H 1 1.892 0.030 . 1 . . . . 65 VAL HB . 10159 1 726 . 1 1 65 65 VAL CG1 C 13 21.200 0.300 . 2 . . . . 65 VAL CG1 . 10159 1 727 . 1 1 65 65 VAL HG11 H 1 0.824 0.030 . 1 . . . . 65 VAL HG1 . 10159 1 728 . 1 1 65 65 VAL HG12 H 1 0.824 0.030 . 1 . . . . 65 VAL HG1 . 10159 1 729 . 1 1 65 65 VAL HG13 H 1 0.824 0.030 . 1 . . . . 65 VAL HG1 . 10159 1 730 . 1 1 65 65 VAL CG2 C 13 21.125 0.300 . 2 . . . . 65 VAL CG2 . 10159 1 731 . 1 1 65 65 VAL HG21 H 1 0.742 0.030 . 1 . . . . 65 VAL HG2 . 10159 1 732 . 1 1 65 65 VAL HG22 H 1 0.742 0.030 . 1 . . . . 65 VAL HG2 . 10159 1 733 . 1 1 65 65 VAL HG23 H 1 0.742 0.030 . 1 . . . . 65 VAL HG2 . 10159 1 734 . 1 1 65 65 VAL C C 13 176.588 0.300 . 1 . . . . 65 VAL C . 10159 1 735 . 1 1 66 66 GLY N N 15 108.948 0.300 . 1 . . . . 66 GLY N . 10159 1 736 . 1 1 66 66 GLY H H 1 8.821 0.030 . 1 . . . . 66 GLY H . 10159 1 737 . 1 1 66 66 GLY CA C 13 43.304 0.300 . 1 . . . . 66 GLY CA . 10159 1 738 . 1 1 66 66 GLY HA3 H 1 4.468 0.030 . 2 . . . . 66 GLY HA3 . 10159 1 739 . 1 1 66 66 GLY C C 13 175.811 0.300 . 1 . . . . 66 GLY C . 10159 1 740 . 1 1 66 66 GLY HA2 H 1 3.184 0.030 . 2 . . . . 66 GLY HA2 . 10159 1 741 . 1 1 67 67 LEU N N 15 126.594 0.300 . 1 . . . . 67 LEU N . 10159 1 742 . 1 1 67 67 LEU H H 1 9.023 0.030 . 1 . . . . 67 LEU H . 10159 1 743 . 1 1 67 67 LEU CA C 13 56.432 0.300 . 1 . . . . 67 LEU CA . 10159 1 744 . 1 1 67 67 LEU HA H 1 4.137 0.030 . 1 . . . . 67 LEU HA . 10159 1 745 . 1 1 67 67 LEU CB C 13 41.933 0.300 . 1 . . . . 67 LEU CB . 10159 1 746 . 1 1 67 67 LEU HB3 H 1 1.408 0.030 . 2 . . . . 67 LEU HB3 . 10159 1 747 . 1 1 67 67 LEU CG C 13 26.896 0.300 . 1 . . . . 67 LEU CG . 10159 1 748 . 1 1 67 67 LEU HG H 1 1.305 0.030 . 1 . . . . 67 LEU HG . 10159 1 749 . 1 1 67 67 LEU CD1 C 13 23.288 0.300 . 2 . . . . 67 LEU CD1 . 10159 1 750 . 1 1 67 67 LEU HD11 H 1 0.802 0.030 . 1 . . . . 67 LEU HD1 . 10159 1 751 . 1 1 67 67 LEU HD12 H 1 0.802 0.030 . 1 . . . . 67 LEU HD1 . 10159 1 752 . 1 1 67 67 LEU HD13 H 1 0.802 0.030 . 1 . . . . 67 LEU HD1 . 10159 1 753 . 1 1 67 67 LEU CD2 C 13 25.364 0.300 . 2 . . . . 67 LEU CD2 . 10159 1 754 . 1 1 67 67 LEU HD21 H 1 0.848 0.030 . 1 . . . . 67 LEU HD2 . 10159 1 755 . 1 1 67 67 LEU HD22 H 1 0.848 0.030 . 1 . . . . 67 LEU HD2 . 10159 1 756 . 1 1 67 67 LEU HD23 H 1 0.848 0.030 . 1 . . . . 67 LEU HD2 . 10159 1 757 . 1 1 67 67 LEU C C 13 174.817 0.300 . 1 . . . . 67 LEU C . 10159 1 758 . 1 1 67 67 LEU HB2 H 1 1.859 0.030 . 2 . . . . 67 LEU HB2 . 10159 1 759 . 1 1 68 68 HIS N N 15 127.130 0.300 . 1 . . . . 68 HIS N . 10159 1 760 . 1 1 68 68 HIS H H 1 9.165 0.030 . 1 . . . . 68 HIS H . 10159 1 761 . 1 1 68 68 HIS CA C 13 54.518 0.300 . 1 . . . . 68 HIS CA . 10159 1 762 . 1 1 68 68 HIS HA H 1 4.562 0.030 . 1 . . . . 68 HIS HA . 10159 1 763 . 1 1 68 68 HIS CB C 13 32.159 0.300 . 1 . . . . 68 HIS CB . 10159 1 764 . 1 1 68 68 HIS HB3 H 1 1.935 0.030 . 2 . . . . 68 HIS HB3 . 10159 1 765 . 1 1 68 68 HIS CD2 C 13 126.717 0.300 . 1 . . . . 68 HIS CD2 . 10159 1 766 . 1 1 68 68 HIS HD2 H 1 6.344 0.030 . 1 . . . . 68 HIS HD2 . 10159 1 767 . 1 1 68 68 HIS CE1 C 13 140.179 0.300 . 1 . . . . 68 HIS CE1 . 10159 1 768 . 1 1 68 68 HIS HE1 H 1 7.650 0.030 . 1 . . . . 68 HIS HE1 . 10159 1 769 . 1 1 68 68 HIS C C 13 173.717 0.300 . 1 . . . . 68 HIS C . 10159 1 770 . 1 1 68 68 HIS HB2 H 1 0.927 0.030 . 2 . . . . 68 HIS HB2 . 10159 1 771 . 1 1 69 69 GLU N N 15 116.428 0.300 . 1 . . . . 69 GLU N . 10159 1 772 . 1 1 69 69 GLU H H 1 8.096 0.030 . 1 . . . . 69 GLU H . 10159 1 773 . 1 1 69 69 GLU CA C 13 54.625 0.300 . 1 . . . . 69 GLU CA . 10159 1 774 . 1 1 69 69 GLU HA H 1 5.274 0.030 . 1 . . . . 69 GLU HA . 10159 1 775 . 1 1 69 69 GLU CB C 13 34.361 0.300 . 1 . . . . 69 GLU CB . 10159 1 776 . 1 1 69 69 GLU HB3 H 1 1.915 0.030 . 1 . . . . 69 GLU HB3 . 10159 1 777 . 1 1 69 69 GLU CG C 13 37.570 0.300 . 1 . . . . 69 GLU CG . 10159 1 778 . 1 1 69 69 GLU HG3 H 1 1.993 0.030 . 2 . . . . 69 GLU HG3 . 10159 1 779 . 1 1 69 69 GLU C C 13 174.811 0.300 . 1 . . . . 69 GLU C . 10159 1 780 . 1 1 69 69 GLU HB2 H 1 1.915 0.030 . 1 . . . . 69 GLU HB2 . 10159 1 781 . 1 1 69 69 GLU HG2 H 1 2.193 0.030 . 2 . . . . 69 GLU HG2 . 10159 1 782 . 1 1 70 70 MET N N 15 126.104 0.300 . 1 . . . . 70 MET N . 10159 1 783 . 1 1 70 70 MET H H 1 9.874 0.030 . 1 . . . . 70 MET H . 10159 1 784 . 1 1 70 70 MET CA C 13 54.399 0.300 . 1 . . . . 70 MET CA . 10159 1 785 . 1 1 70 70 MET HA H 1 5.272 0.030 . 1 . . . . 70 MET HA . 10159 1 786 . 1 1 70 70 MET CB C 13 36.158 0.300 . 1 . . . . 70 MET CB . 10159 1 787 . 1 1 70 70 MET HB3 H 1 2.239 0.030 . 2 . . . . 70 MET HB3 . 10159 1 788 . 1 1 70 70 MET CG C 13 31.577 0.300 . 1 . . . . 70 MET CG . 10159 1 789 . 1 1 70 70 MET HG3 H 1 2.260 0.030 . 2 . . . . 70 MET HG3 . 10159 1 790 . 1 1 70 70 MET CE C 13 17.085 0.300 . 1 . . . . 70 MET CE . 10159 1 791 . 1 1 70 70 MET HE1 H 1 1.598 0.030 . 1 . . . . 70 MET HE . 10159 1 792 . 1 1 70 70 MET HE2 H 1 1.598 0.030 . 1 . . . . 70 MET HE . 10159 1 793 . 1 1 70 70 MET HE3 H 1 1.598 0.030 . 1 . . . . 70 MET HE . 10159 1 794 . 1 1 70 70 MET C C 13 173.699 0.300 . 1 . . . . 70 MET C . 10159 1 795 . 1 1 70 70 MET HB2 H 1 1.880 0.030 . 2 . . . . 70 MET HB2 . 10159 1 796 . 1 1 70 70 MET HG2 H 1 2.193 0.030 . 2 . . . . 70 MET HG2 . 10159 1 797 . 1 1 71 71 HIS N N 15 129.007 0.300 . 1 . . . . 71 HIS N . 10159 1 798 . 1 1 71 71 HIS H H 1 9.533 0.030 . 1 . . . . 71 HIS H . 10159 1 799 . 1 1 71 71 HIS CA C 13 54.201 0.300 . 1 . . . . 71 HIS CA . 10159 1 800 . 1 1 71 71 HIS HA H 1 5.273 0.030 . 1 . . . . 71 HIS HA . 10159 1 801 . 1 1 71 71 HIS CB C 13 33.546 0.300 . 1 . . . . 71 HIS CB . 10159 1 802 . 1 1 71 71 HIS HB3 H 1 2.706 0.030 . 2 . . . . 71 HIS HB3 . 10159 1 803 . 1 1 71 71 HIS CD2 C 13 114.875 0.300 . 1 . . . . 71 HIS CD2 . 10159 1 804 . 1 1 71 71 HIS HD2 H 1 6.677 0.030 . 1 . . . . 71 HIS HD2 . 10159 1 805 . 1 1 71 71 HIS CE1 C 13 138.721 0.300 . 1 . . . . 71 HIS CE1 . 10159 1 806 . 1 1 71 71 HIS HE1 H 1 7.630 0.030 . 1 . . . . 71 HIS HE1 . 10159 1 807 . 1 1 71 71 HIS C C 13 174.997 0.300 . 1 . . . . 71 HIS C . 10159 1 808 . 1 1 71 71 HIS HB2 H 1 3.382 0.030 . 2 . . . . 71 HIS HB2 . 10159 1 809 . 1 1 72 72 ILE N N 15 126.123 0.300 . 1 . . . . 72 ILE N . 10159 1 810 . 1 1 72 72 ILE H H 1 9.842 0.030 . 1 . . . . 72 ILE H . 10159 1 811 . 1 1 72 72 ILE CA C 13 60.037 0.300 . 1 . . . . 72 ILE CA . 10159 1 812 . 1 1 72 72 ILE HA H 1 4.885 0.030 . 1 . . . . 72 ILE HA . 10159 1 813 . 1 1 72 72 ILE CB C 13 40.102 0.300 . 1 . . . . 72 ILE CB . 10159 1 814 . 1 1 72 72 ILE HB H 1 1.680 0.030 . 1 . . . . 72 ILE HB . 10159 1 815 . 1 1 72 72 ILE CG1 C 13 27.413 0.300 . 1 . . . . 72 ILE CG1 . 10159 1 816 . 1 1 72 72 ILE HG13 H 1 1.415 0.030 . 2 . . . . 72 ILE HG13 . 10159 1 817 . 1 1 72 72 ILE CG2 C 13 18.721 0.300 . 1 . . . . 72 ILE CG2 . 10159 1 818 . 1 1 72 72 ILE HG21 H 1 0.827 0.030 . 1 . . . . 72 ILE HG2 . 10159 1 819 . 1 1 72 72 ILE HG22 H 1 0.827 0.030 . 1 . . . . 72 ILE HG2 . 10159 1 820 . 1 1 72 72 ILE HG23 H 1 0.827 0.030 . 1 . . . . 72 ILE HG2 . 10159 1 821 . 1 1 72 72 ILE CD1 C 13 14.352 0.300 . 1 . . . . 72 ILE CD1 . 10159 1 822 . 1 1 72 72 ILE HD11 H 1 0.883 0.030 . 1 . . . . 72 ILE HD1 . 10159 1 823 . 1 1 72 72 ILE HD12 H 1 0.883 0.030 . 1 . . . . 72 ILE HD1 . 10159 1 824 . 1 1 72 72 ILE HD13 H 1 0.883 0.030 . 1 . . . . 72 ILE HD1 . 10159 1 825 . 1 1 72 72 ILE C C 13 173.955 0.300 . 1 . . . . 72 ILE C . 10159 1 826 . 1 1 72 72 ILE HG12 H 1 1.013 0.030 . 2 . . . . 72 ILE HG12 . 10159 1 827 . 1 1 73 73 LYS N N 15 124.414 0.300 . 1 . . . . 73 LYS N . 10159 1 828 . 1 1 73 73 LYS H H 1 8.854 0.030 . 1 . . . . 73 LYS H . 10159 1 829 . 1 1 73 73 LYS CA C 13 54.200 0.300 . 1 . . . . 73 LYS CA . 10159 1 830 . 1 1 73 73 LYS HA H 1 4.964 0.030 . 1 . . . . 73 LYS HA . 10159 1 831 . 1 1 73 73 LYS CB C 13 36.335 0.300 . 1 . . . . 73 LYS CB . 10159 1 832 . 1 1 73 73 LYS HB3 H 1 0.978 0.030 . 2 . . . . 73 LYS HB3 . 10159 1 833 . 1 1 73 73 LYS CG C 13 24.998 0.300 . 1 . . . . 73 LYS CG . 10159 1 834 . 1 1 73 73 LYS HG3 H 1 0.882 0.030 . 2 . . . . 73 LYS HG3 . 10159 1 835 . 1 1 73 73 LYS CD C 13 29.176 0.300 . 1 . . . . 73 LYS CD . 10159 1 836 . 1 1 73 73 LYS HD3 H 1 1.015 0.030 . 2 . . . . 73 LYS HD3 . 10159 1 837 . 1 1 73 73 LYS CE C 13 41.520 0.300 . 1 . . . . 73 LYS CE . 10159 1 838 . 1 1 73 73 LYS HE3 H 1 2.297 0.030 . 2 . . . . 73 LYS HE3 . 10159 1 839 . 1 1 73 73 LYS C C 13 174.360 0.300 . 1 . . . . 73 LYS C . 10159 1 840 . 1 1 73 73 LYS HB2 H 1 1.542 0.030 . 2 . . . . 73 LYS HB2 . 10159 1 841 . 1 1 73 73 LYS HD2 H 1 1.171 0.030 . 2 . . . . 73 LYS HD2 . 10159 1 842 . 1 1 73 73 LYS HE2 H 1 1.988 0.030 . 2 . . . . 73 LYS HE2 . 10159 1 843 . 1 1 73 73 LYS HG2 H 1 0.339 0.030 . 2 . . . . 73 LYS HG2 . 10159 1 844 . 1 1 74 74 TYR N N 15 121.190 0.300 . 1 . . . . 74 TYR N . 10159 1 845 . 1 1 74 74 TYR H H 1 8.979 0.030 . 1 . . . . 74 TYR H . 10159 1 846 . 1 1 74 74 TYR CA C 13 55.271 0.300 . 1 . . . . 74 TYR CA . 10159 1 847 . 1 1 74 74 TYR HA H 1 5.365 0.030 . 1 . . . . 74 TYR HA . 10159 1 848 . 1 1 74 74 TYR CB C 13 41.143 0.300 . 1 . . . . 74 TYR CB . 10159 1 849 . 1 1 74 74 TYR HB3 H 1 2.935 0.030 . 2 . . . . 74 TYR HB3 . 10159 1 850 . 1 1 74 74 TYR CD1 C 13 133.074 0.300 . 1 . . . . 74 TYR CD1 . 10159 1 851 . 1 1 74 74 TYR HD1 H 1 7.112 0.030 . 1 . . . . 74 TYR HD1 . 10159 1 852 . 1 1 74 74 TYR CD2 C 13 133.074 0.300 . 1 . . . . 74 TYR CD2 . 10159 1 853 . 1 1 74 74 TYR HD2 H 1 7.112 0.030 . 1 . . . . 74 TYR HD2 . 10159 1 854 . 1 1 74 74 TYR CE1 C 13 118.702 0.300 . 1 . . . . 74 TYR CE1 . 10159 1 855 . 1 1 74 74 TYR HE1 H 1 6.929 0.030 . 1 . . . . 74 TYR HE1 . 10159 1 856 . 1 1 74 74 TYR CE2 C 13 118.702 0.300 . 1 . . . . 74 TYR CE2 . 10159 1 857 . 1 1 74 74 TYR HE2 H 1 6.929 0.030 . 1 . . . . 74 TYR HE2 . 10159 1 858 . 1 1 74 74 TYR C C 13 175.646 0.300 . 1 . . . . 74 TYR C . 10159 1 859 . 1 1 74 74 TYR HB2 H 1 2.753 0.030 . 2 . . . . 74 TYR HB2 . 10159 1 860 . 1 1 75 75 MET N N 15 125.219 0.300 . 1 . . . . 75 MET N . 10159 1 861 . 1 1 75 75 MET H H 1 9.096 0.030 . 1 . . . . 75 MET H . 10159 1 862 . 1 1 75 75 MET CA C 13 56.166 0.300 . 1 . . . . 75 MET CA . 10159 1 863 . 1 1 75 75 MET HA H 1 3.920 0.030 . 1 . . . . 75 MET HA . 10159 1 864 . 1 1 75 75 MET CB C 13 29.423 0.300 . 1 . . . . 75 MET CB . 10159 1 865 . 1 1 75 75 MET HB3 H 1 1.734 0.030 . 2 . . . . 75 MET HB3 . 10159 1 866 . 1 1 75 75 MET CG C 13 31.367 0.300 . 1 . . . . 75 MET CG . 10159 1 867 . 1 1 75 75 MET HG3 H 1 1.630 0.030 . 1 . . . . 75 MET HG3 . 10159 1 868 . 1 1 75 75 MET CE C 13 16.373 0.300 . 1 . . . . 75 MET CE . 10159 1 869 . 1 1 75 75 MET HE1 H 1 1.946 0.030 . 1 . . . . 75 MET HE . 10159 1 870 . 1 1 75 75 MET HE2 H 1 1.946 0.030 . 1 . . . . 75 MET HE . 10159 1 871 . 1 1 75 75 MET HE3 H 1 1.946 0.030 . 1 . . . . 75 MET HE . 10159 1 872 . 1 1 75 75 MET C C 13 176.809 0.300 . 1 . . . . 75 MET C . 10159 1 873 . 1 1 75 75 MET HB2 H 1 2.032 0.030 . 2 . . . . 75 MET HB2 . 10159 1 874 . 1 1 75 75 MET HG2 H 1 1.630 0.030 . 1 . . . . 75 MET HG2 . 10159 1 875 . 1 1 76 76 GLY N N 15 102.874 0.300 . 1 . . . . 76 GLY N . 10159 1 876 . 1 1 76 76 GLY H H 1 8.573 0.030 . 1 . . . . 76 GLY H . 10159 1 877 . 1 1 76 76 GLY CA C 13 45.421 0.300 . 1 . . . . 76 GLY CA . 10159 1 878 . 1 1 76 76 GLY HA3 H 1 4.221 0.030 . 2 . . . . 76 GLY HA3 . 10159 1 879 . 1 1 76 76 GLY C C 13 174.014 0.300 . 1 . . . . 76 GLY C . 10159 1 880 . 1 1 76 76 GLY HA2 H 1 3.471 0.030 . 2 . . . . 76 GLY HA2 . 10159 1 881 . 1 1 77 77 SER N N 15 115.868 0.300 . 1 . . . . 77 SER N . 10159 1 882 . 1 1 77 77 SER H H 1 7.609 0.030 . 1 . . . . 77 SER H . 10159 1 883 . 1 1 77 77 SER CA C 13 56.956 0.300 . 1 . . . . 77 SER CA . 10159 1 884 . 1 1 77 77 SER HA H 1 4.935 0.030 . 1 . . . . 77 SER HA . 10159 1 885 . 1 1 77 77 SER CB C 13 65.336 0.300 . 1 . . . . 77 SER CB . 10159 1 886 . 1 1 77 77 SER HB3 H 1 3.774 0.030 . 2 . . . . 77 SER HB3 . 10159 1 887 . 1 1 77 77 SER C C 13 173.677 0.300 . 1 . . . . 77 SER C . 10159 1 888 . 1 1 77 77 SER HB2 H 1 3.947 0.030 . 2 . . . . 77 SER HB2 . 10159 1 889 . 1 1 78 78 HIS N N 15 124.606 0.300 . 1 . . . . 78 HIS N . 10159 1 890 . 1 1 78 78 HIS H H 1 8.751 0.030 . 1 . . . . 78 HIS H . 10159 1 891 . 1 1 78 78 HIS CA C 13 59.005 0.300 . 1 . . . . 78 HIS CA . 10159 1 892 . 1 1 78 78 HIS HA H 1 4.617 0.030 . 1 . . . . 78 HIS HA . 10159 1 893 . 1 1 78 78 HIS CB C 13 32.066 0.300 . 1 . . . . 78 HIS CB . 10159 1 894 . 1 1 78 78 HIS HB3 H 1 3.379 0.030 . 2 . . . . 78 HIS HB3 . 10159 1 895 . 1 1 78 78 HIS CD2 C 13 118.241 0.300 . 1 . . . . 78 HIS CD2 . 10159 1 896 . 1 1 78 78 HIS HD2 H 1 7.200 0.030 . 1 . . . . 78 HIS HD2 . 10159 1 897 . 1 1 78 78 HIS CE1 C 13 137.438 0.300 . 1 . . . . 78 HIS CE1 . 10159 1 898 . 1 1 78 78 HIS HE1 H 1 7.317 0.030 . 1 . . . . 78 HIS HE1 . 10159 1 899 . 1 1 78 78 HIS C C 13 178.429 0.300 . 1 . . . . 78 HIS C . 10159 1 900 . 1 1 78 78 HIS HB2 H 1 2.864 0.030 . 2 . . . . 78 HIS HB2 . 10159 1 901 . 1 1 79 79 ILE N N 15 117.547 0.300 . 1 . . . . 79 ILE N . 10159 1 902 . 1 1 79 79 ILE H H 1 8.102 0.030 . 1 . . . . 79 ILE H . 10159 1 903 . 1 1 79 79 ILE CA C 13 61.442 0.300 . 1 . . . . 79 ILE CA . 10159 1 904 . 1 1 79 79 ILE HA H 1 4.737 0.030 . 1 . . . . 79 ILE HA . 10159 1 905 . 1 1 79 79 ILE CB C 13 35.644 0.300 . 1 . . . . 79 ILE CB . 10159 1 906 . 1 1 79 79 ILE HB H 1 2.347 0.030 . 1 . . . . 79 ILE HB . 10159 1 907 . 1 1 79 79 ILE CG1 C 13 26.084 0.300 . 1 . . . . 79 ILE CG1 . 10159 1 908 . 1 1 79 79 ILE HG13 H 1 1.346 0.030 . 1 . . . . 79 ILE HG13 . 10159 1 909 . 1 1 79 79 ILE CG2 C 13 18.501 0.300 . 1 . . . . 79 ILE CG2 . 10159 1 910 . 1 1 79 79 ILE HG21 H 1 0.928 0.030 . 1 . . . . 79 ILE HG2 . 10159 1 911 . 1 1 79 79 ILE HG22 H 1 0.928 0.030 . 1 . . . . 79 ILE HG2 . 10159 1 912 . 1 1 79 79 ILE HG23 H 1 0.928 0.030 . 1 . . . . 79 ILE HG2 . 10159 1 913 . 1 1 79 79 ILE CD1 C 13 14.480 0.300 . 1 . . . . 79 ILE CD1 . 10159 1 914 . 1 1 79 79 ILE HD11 H 1 0.877 0.030 . 1 . . . . 79 ILE HD1 . 10159 1 915 . 1 1 79 79 ILE HD12 H 1 0.877 0.030 . 1 . . . . 79 ILE HD1 . 10159 1 916 . 1 1 79 79 ILE HD13 H 1 0.877 0.030 . 1 . . . . 79 ILE HD1 . 10159 1 917 . 1 1 79 79 ILE C C 13 174.657 0.300 . 1 . . . . 79 ILE C . 10159 1 918 . 1 1 79 79 ILE HG12 H 1 1.346 0.030 . 1 . . . . 79 ILE HG12 . 10159 1 919 . 1 1 80 80 PRO CA C 13 66.398 0.300 . 1 . . . . 80 PRO CA . 10159 1 920 . 1 1 80 80 PRO HA H 1 4.296 0.030 . 1 . . . . 80 PRO HA . 10159 1 921 . 1 1 80 80 PRO CB C 13 31.380 0.300 . 1 . . . . 80 PRO CB . 10159 1 922 . 1 1 80 80 PRO HB3 H 1 1.897 0.030 . 2 . . . . 80 PRO HB3 . 10159 1 923 . 1 1 80 80 PRO CG C 13 28.313 0.300 . 1 . . . . 80 PRO CG . 10159 1 924 . 1 1 80 80 PRO HG3 H 1 2.252 0.030 . 2 . . . . 80 PRO HG3 . 10159 1 925 . 1 1 80 80 PRO CD C 13 50.294 0.300 . 1 . . . . 80 PRO CD . 10159 1 926 . 1 1 80 80 PRO HD3 H 1 3.857 0.030 . 2 . . . . 80 PRO HD3 . 10159 1 927 . 1 1 80 80 PRO C C 13 177.763 0.300 . 1 . . . . 80 PRO C . 10159 1 928 . 1 1 80 80 PRO HB2 H 1 2.384 0.030 . 2 . . . . 80 PRO HB2 . 10159 1 929 . 1 1 80 80 PRO HD2 H 1 3.975 0.030 . 2 . . . . 80 PRO HD2 . 10159 1 930 . 1 1 80 80 PRO HG2 H 1 2.059 0.030 . 2 . . . . 80 PRO HG2 . 10159 1 931 . 1 1 81 81 GLU N N 15 114.279 0.300 . 1 . . . . 81 GLU N . 10159 1 932 . 1 1 81 81 GLU H H 1 8.913 0.030 . 1 . . . . 81 GLU H . 10159 1 933 . 1 1 81 81 GLU CA C 13 58.285 0.300 . 1 . . . . 81 GLU CA . 10159 1 934 . 1 1 81 81 GLU HA H 1 4.043 0.030 . 1 . . . . 81 GLU HA . 10159 1 935 . 1 1 81 81 GLU CB C 13 29.010 0.300 . 1 . . . . 81 GLU CB . 10159 1 936 . 1 1 81 81 GLU HB3 H 1 2.136 0.030 . 2 . . . . 81 GLU HB3 . 10159 1 937 . 1 1 81 81 GLU CG C 13 37.410 0.300 . 1 . . . . 81 GLU CG . 10159 1 938 . 1 1 81 81 GLU HG3 H 1 2.361 0.030 . 2 . . . . 81 GLU HG3 . 10159 1 939 . 1 1 81 81 GLU C C 13 174.743 0.300 . 1 . . . . 81 GLU C . 10159 1 940 . 1 1 81 81 GLU HB2 H 1 2.008 0.030 . 2 . . . . 81 GLU HB2 . 10159 1 941 . 1 1 81 81 GLU HG2 H 1 2.268 0.030 . 2 . . . . 81 GLU HG2 . 10159 1 942 . 1 1 82 82 SER N N 15 112.700 0.300 . 1 . . . . 82 SER N . 10159 1 943 . 1 1 82 82 SER H H 1 7.918 0.030 . 1 . . . . 82 SER H . 10159 1 944 . 1 1 82 82 SER CA C 13 54.519 0.300 . 1 . . . . 82 SER CA . 10159 1 945 . 1 1 82 82 SER HA H 1 4.798 0.030 . 1 . . . . 82 SER HA . 10159 1 946 . 1 1 82 82 SER CB C 13 64.077 0.300 . 1 . . . . 82 SER CB . 10159 1 947 . 1 1 82 82 SER HB3 H 1 4.433 0.030 . 2 . . . . 82 SER HB3 . 10159 1 948 . 1 1 82 82 SER C C 13 173.394 0.300 . 1 . . . . 82 SER C . 10159 1 949 . 1 1 82 82 SER HB2 H 1 3.615 0.030 . 2 . . . . 82 SER HB2 . 10159 1 950 . 1 1 83 83 PRO CA C 13 62.597 0.300 . 1 . . . . 83 PRO CA . 10159 1 951 . 1 1 83 83 PRO HA H 1 5.247 0.030 . 1 . . . . 83 PRO HA . 10159 1 952 . 1 1 83 83 PRO CB C 13 34.681 0.300 . 1 . . . . 83 PRO CB . 10159 1 953 . 1 1 83 83 PRO HB3 H 1 1.314 0.030 . 2 . . . . 83 PRO HB3 . 10159 1 954 . 1 1 83 83 PRO CG C 13 25.059 0.300 . 1 . . . . 83 PRO CG . 10159 1 955 . 1 1 83 83 PRO HG3 H 1 1.215 0.030 . 2 . . . . 83 PRO HG3 . 10159 1 956 . 1 1 83 83 PRO CD C 13 49.895 0.300 . 1 . . . . 83 PRO CD . 10159 1 957 . 1 1 83 83 PRO HD3 H 1 3.197 0.030 . 2 . . . . 83 PRO HD3 . 10159 1 958 . 1 1 83 83 PRO C C 13 175.783 0.300 . 1 . . . . 83 PRO C . 10159 1 959 . 1 1 83 83 PRO HB2 H 1 1.516 0.030 . 2 . . . . 83 PRO HB2 . 10159 1 960 . 1 1 83 83 PRO HD2 H 1 2.328 0.030 . 2 . . . . 83 PRO HD2 . 10159 1 961 . 1 1 83 83 PRO HG2 H 1 1.652 0.030 . 2 . . . . 83 PRO HG2 . 10159 1 962 . 1 1 84 84 LEU N N 15 123.427 0.300 . 1 . . . . 84 LEU N . 10159 1 963 . 1 1 84 84 LEU H H 1 9.099 0.030 . 1 . . . . 84 LEU H . 10159 1 964 . 1 1 84 84 LEU CA C 13 54.413 0.300 . 1 . . . . 84 LEU CA . 10159 1 965 . 1 1 84 84 LEU HA H 1 4.893 0.030 . 1 . . . . 84 LEU HA . 10159 1 966 . 1 1 84 84 LEU CB C 13 44.452 0.300 . 1 . . . . 84 LEU CB . 10159 1 967 . 1 1 84 84 LEU HB3 H 1 1.824 0.030 . 2 . . . . 84 LEU HB3 . 10159 1 968 . 1 1 84 84 LEU CG C 13 27.305 0.300 . 1 . . . . 84 LEU CG . 10159 1 969 . 1 1 84 84 LEU HG H 1 1.876 0.030 . 1 . . . . 84 LEU HG . 10159 1 970 . 1 1 84 84 LEU CD1 C 13 26.312 0.300 . 2 . . . . 84 LEU CD1 . 10159 1 971 . 1 1 84 84 LEU HD11 H 1 1.032 0.030 . 1 . . . . 84 LEU HD1 . 10159 1 972 . 1 1 84 84 LEU HD12 H 1 1.032 0.030 . 1 . . . . 84 LEU HD1 . 10159 1 973 . 1 1 84 84 LEU HD13 H 1 1.032 0.030 . 1 . . . . 84 LEU HD1 . 10159 1 974 . 1 1 84 84 LEU CD2 C 13 26.750 0.300 . 2 . . . . 84 LEU CD2 . 10159 1 975 . 1 1 84 84 LEU HD21 H 1 1.008 0.030 . 1 . . . . 84 LEU HD2 . 10159 1 976 . 1 1 84 84 LEU HD22 H 1 1.008 0.030 . 1 . . . . 84 LEU HD2 . 10159 1 977 . 1 1 84 84 LEU HD23 H 1 1.008 0.030 . 1 . . . . 84 LEU HD2 . 10159 1 978 . 1 1 84 84 LEU C C 13 176.054 0.300 . 1 . . . . 84 LEU C . 10159 1 979 . 1 1 84 84 LEU HB2 H 1 1.996 0.030 . 2 . . . . 84 LEU HB2 . 10159 1 980 . 1 1 85 85 GLN N N 15 122.438 0.300 . 1 . . . . 85 GLN N . 10159 1 981 . 1 1 85 85 GLN H H 1 8.869 0.030 . 1 . . . . 85 GLN H . 10159 1 982 . 1 1 85 85 GLN CA C 13 54.811 0.300 . 1 . . . . 85 GLN CA . 10159 1 983 . 1 1 85 85 GLN HA H 1 5.359 0.030 . 1 . . . . 85 GLN HA . 10159 1 984 . 1 1 85 85 GLN CB C 13 30.972 0.300 . 1 . . . . 85 GLN CB . 10159 1 985 . 1 1 85 85 GLN HB3 H 1 2.056 0.030 . 2 . . . . 85 GLN HB3 . 10159 1 986 . 1 1 85 85 GLN CG C 13 34.341 0.300 . 1 . . . . 85 GLN CG . 10159 1 987 . 1 1 85 85 GLN HG3 H 1 2.485 0.030 . 2 . . . . 85 GLN HG3 . 10159 1 988 . 1 1 85 85 GLN NE2 N 15 111.784 0.300 . 1 . . . . 85 GLN NE2 . 10159 1 989 . 1 1 85 85 GLN HE21 H 1 7.732 0.030 . 2 . . . . 85 GLN HE21 . 10159 1 990 . 1 1 85 85 GLN HE22 H 1 6.751 0.030 . 2 . . . . 85 GLN HE22 . 10159 1 991 . 1 1 85 85 GLN C C 13 175.687 0.300 . 1 . . . . 85 GLN C . 10159 1 992 . 1 1 85 85 GLN HB2 H 1 1.944 0.030 . 2 . . . . 85 GLN HB2 . 10159 1 993 . 1 1 85 85 GLN HG2 H 1 2.259 0.030 . 2 . . . . 85 GLN HG2 . 10159 1 994 . 1 1 86 86 PHE N N 15 118.108 0.300 . 1 . . . . 86 PHE N . 10159 1 995 . 1 1 86 86 PHE H H 1 8.483 0.030 . 1 . . . . 86 PHE H . 10159 1 996 . 1 1 86 86 PHE CA C 13 56.104 0.300 . 1 . . . . 86 PHE CA . 10159 1 997 . 1 1 86 86 PHE HA H 1 4.917 0.030 . 1 . . . . 86 PHE HA . 10159 1 998 . 1 1 86 86 PHE CB C 13 40.732 0.300 . 1 . . . . 86 PHE CB . 10159 1 999 . 1 1 86 86 PHE HB3 H 1 2.775 0.030 . 1 . . . . 86 PHE HB3 . 10159 1 1000 . 1 1 86 86 PHE CD1 C 13 132.993 0.300 . 1 . . . . 86 PHE CD1 . 10159 1 1001 . 1 1 86 86 PHE HD1 H 1 6.578 0.030 . 1 . . . . 86 PHE HD1 . 10159 1 1002 . 1 1 86 86 PHE CD2 C 13 132.993 0.300 . 1 . . . . 86 PHE CD2 . 10159 1 1003 . 1 1 86 86 PHE HD2 H 1 6.578 0.030 . 1 . . . . 86 PHE HD2 . 10159 1 1004 . 1 1 86 86 PHE CE1 C 13 129.285 0.300 . 1 . . . . 86 PHE CE1 . 10159 1 1005 . 1 1 86 86 PHE HE1 H 1 6.496 0.030 . 1 . . . . 86 PHE HE1 . 10159 1 1006 . 1 1 86 86 PHE CE2 C 13 129.285 0.300 . 1 . . . . 86 PHE CE2 . 10159 1 1007 . 1 1 86 86 PHE HE2 H 1 6.496 0.030 . 1 . . . . 86 PHE HE2 . 10159 1 1008 . 1 1 86 86 PHE CZ C 13 127.791 0.300 . 1 . . . . 86 PHE CZ . 10159 1 1009 . 1 1 86 86 PHE HZ H 1 6.565 0.030 . 1 . . . . 86 PHE HZ . 10159 1 1010 . 1 1 86 86 PHE C C 13 171.607 0.300 . 1 . . . . 86 PHE C . 10159 1 1011 . 1 1 86 86 PHE HB2 H 1 2.775 0.030 . 1 . . . . 86 PHE HB2 . 10159 1 1012 . 1 1 87 87 TYR N N 15 124.521 0.300 . 1 . . . . 87 TYR N . 10159 1 1013 . 1 1 87 87 TYR H H 1 9.179 0.030 . 1 . . . . 87 TYR H . 10159 1 1014 . 1 1 87 87 TYR CA C 13 57.832 0.300 . 1 . . . . 87 TYR CA . 10159 1 1015 . 1 1 87 87 TYR HA H 1 4.643 0.030 . 1 . . . . 87 TYR HA . 10159 1 1016 . 1 1 87 87 TYR CB C 13 40.731 0.300 . 1 . . . . 87 TYR CB . 10159 1 1017 . 1 1 87 87 TYR HB3 H 1 2.778 0.030 . 2 . . . . 87 TYR HB3 . 10159 1 1018 . 1 1 87 87 TYR CD1 C 13 132.781 0.300 . 1 . . . . 87 TYR CD1 . 10159 1 1019 . 1 1 87 87 TYR HD1 H 1 6.892 0.030 . 1 . . . . 87 TYR HD1 . 10159 1 1020 . 1 1 87 87 TYR CD2 C 13 132.781 0.300 . 1 . . . . 87 TYR CD2 . 10159 1 1021 . 1 1 87 87 TYR HD2 H 1 6.892 0.030 . 1 . . . . 87 TYR HD2 . 10159 1 1022 . 1 1 87 87 TYR CE1 C 13 118.516 0.300 . 1 . . . . 87 TYR CE1 . 10159 1 1023 . 1 1 87 87 TYR HE1 H 1 6.800 0.030 . 1 . . . . 87 TYR HE1 . 10159 1 1024 . 1 1 87 87 TYR CE2 C 13 118.516 0.300 . 1 . . . . 87 TYR CE2 . 10159 1 1025 . 1 1 87 87 TYR HE2 H 1 6.800 0.030 . 1 . . . . 87 TYR HE2 . 10159 1 1026 . 1 1 87 87 TYR C C 13 175.145 0.300 . 1 . . . . 87 TYR C . 10159 1 1027 . 1 1 87 87 TYR HB2 H 1 3.050 0.030 . 2 . . . . 87 TYR HB2 . 10159 1 1028 . 1 1 88 88 VAL N N 15 129.828 0.300 . 1 . . . . 88 VAL N . 10159 1 1029 . 1 1 88 88 VAL H H 1 7.865 0.030 . 1 . . . . 88 VAL H . 10159 1 1030 . 1 1 88 88 VAL CA C 13 61.875 0.300 . 1 . . . . 88 VAL CA . 10159 1 1031 . 1 1 88 88 VAL HA H 1 4.219 0.030 . 1 . . . . 88 VAL HA . 10159 1 1032 . 1 1 88 88 VAL CB C 13 32.943 0.300 . 1 . . . . 88 VAL CB . 10159 1 1033 . 1 1 88 88 VAL HB H 1 2.120 0.030 . 1 . . . . 88 VAL HB . 10159 1 1034 . 1 1 88 88 VAL CG1 C 13 21.513 0.300 . 2 . . . . 88 VAL CG1 . 10159 1 1035 . 1 1 88 88 VAL HG11 H 1 0.740 0.030 . 1 . . . . 88 VAL HG1 . 10159 1 1036 . 1 1 88 88 VAL HG12 H 1 0.740 0.030 . 1 . . . . 88 VAL HG1 . 10159 1 1037 . 1 1 88 88 VAL HG13 H 1 0.740 0.030 . 1 . . . . 88 VAL HG1 . 10159 1 1038 . 1 1 88 88 VAL CG2 C 13 21.705 0.300 . 2 . . . . 88 VAL CG2 . 10159 1 1039 . 1 1 88 88 VAL HG21 H 1 0.589 0.030 . 1 . . . . 88 VAL HG2 . 10159 1 1040 . 1 1 88 88 VAL HG22 H 1 0.589 0.030 . 1 . . . . 88 VAL HG2 . 10159 1 1041 . 1 1 88 88 VAL HG23 H 1 0.589 0.030 . 1 . . . . 88 VAL HG2 . 10159 1 1042 . 1 1 88 88 VAL C C 13 174.472 0.300 . 1 . . . . 88 VAL C . 10159 1 1043 . 1 1 89 89 ASN N N 15 124.798 0.300 . 1 . . . . 89 ASN N . 10159 1 1044 . 1 1 89 89 ASN H H 1 8.649 0.030 . 1 . . . . 89 ASN H . 10159 1 1045 . 1 1 89 89 ASN CA C 13 52.062 0.300 . 1 . . . . 89 ASN CA . 10159 1 1046 . 1 1 89 89 ASN HA H 1 5.024 0.030 . 1 . . . . 89 ASN HA . 10159 1 1047 . 1 1 89 89 ASN CB C 13 41.470 0.300 . 1 . . . . 89 ASN CB . 10159 1 1048 . 1 1 89 89 ASN HB3 H 1 2.747 0.030 . 2 . . . . 89 ASN HB3 . 10159 1 1049 . 1 1 89 89 ASN ND2 N 15 113.623 0.300 . 1 . . . . 89 ASN ND2 . 10159 1 1050 . 1 1 89 89 ASN HD21 H 1 7.820 0.030 . 2 . . . . 89 ASN HD21 . 10159 1 1051 . 1 1 89 89 ASN HD22 H 1 7.167 0.030 . 2 . . . . 89 ASN HD22 . 10159 1 1052 . 1 1 89 89 ASN C C 13 175.232 0.300 . 1 . . . . 89 ASN C . 10159 1 1053 . 1 1 89 89 ASN HB2 H 1 3.004 0.030 . 2 . . . . 89 ASN HB2 . 10159 1 1054 . 1 1 90 90 TYR N N 15 119.662 0.300 . 1 . . . . 90 TYR N . 10159 1 1055 . 1 1 90 90 TYR H H 1 8.559 0.030 . 1 . . . . 90 TYR H . 10159 1 1056 . 1 1 90 90 TYR CA C 13 58.020 0.300 . 1 . . . . 90 TYR CA . 10159 1 1057 . 1 1 90 90 TYR HA H 1 4.485 0.030 . 1 . . . . 90 TYR HA . 10159 1 1058 . 1 1 90 90 TYR CB C 13 37.880 0.300 . 1 . . . . 90 TYR CB . 10159 1 1059 . 1 1 90 90 TYR HB3 H 1 3.151 0.030 . 2 . . . . 90 TYR HB3 . 10159 1 1060 . 1 1 90 90 TYR CD1 C 13 133.418 0.300 . 1 . . . . 90 TYR CD1 . 10159 1 1061 . 1 1 90 90 TYR HD1 H 1 7.237 0.030 . 1 . . . . 90 TYR HD1 . 10159 1 1062 . 1 1 90 90 TYR CD2 C 13 133.418 0.300 . 1 . . . . 90 TYR CD2 . 10159 1 1063 . 1 1 90 90 TYR HD2 H 1 7.237 0.030 . 1 . . . . 90 TYR HD2 . 10159 1 1064 . 1 1 90 90 TYR CE1 C 13 118.620 0.300 . 1 . . . . 90 TYR CE1 . 10159 1 1065 . 1 1 90 90 TYR HE1 H 1 6.886 0.030 . 1 . . . . 90 TYR HE1 . 10159 1 1066 . 1 1 90 90 TYR CE2 C 13 118.620 0.300 . 1 . . . . 90 TYR CE2 . 10159 1 1067 . 1 1 90 90 TYR HE2 H 1 6.886 0.030 . 1 . . . . 90 TYR HE2 . 10159 1 1068 . 1 1 90 90 TYR C C 13 174.972 0.300 . 1 . . . . 90 TYR C . 10159 1 1069 . 1 1 90 90 TYR HB2 H 1 2.802 0.030 . 2 . . . . 90 TYR HB2 . 10159 1 1070 . 1 1 91 91 PRO CA C 13 63.396 0.300 . 1 . . . . 91 PRO CA . 10159 1 1071 . 1 1 91 91 PRO HA H 1 4.337 0.030 . 1 . . . . 91 PRO HA . 10159 1 1072 . 1 1 91 91 PRO CB C 13 32.028 0.300 . 1 . . . . 91 PRO CB . 10159 1 1073 . 1 1 91 91 PRO HB3 H 1 1.926 0.030 . 2 . . . . 91 PRO HB3 . 10159 1 1074 . 1 1 91 91 PRO CG C 13 27.306 0.300 . 1 . . . . 91 PRO CG . 10159 1 1075 . 1 1 91 91 PRO HG3 H 1 1.462 0.030 . 2 . . . . 91 PRO HG3 . 10159 1 1076 . 1 1 91 91 PRO CD C 13 50.665 0.300 . 1 . . . . 91 PRO CD . 10159 1 1077 . 1 1 91 91 PRO HD3 H 1 3.527 0.030 . 2 . . . . 91 PRO HD3 . 10159 1 1078 . 1 1 91 91 PRO HB2 H 1 1.758 0.030 . 2 . . . . 91 PRO HB2 . 10159 1 1079 . 1 1 91 91 PRO HD2 H 1 3.371 0.030 . 2 . . . . 91 PRO HD2 . 10159 1 1080 . 1 1 91 91 PRO HG2 H 1 1.709 0.030 . 2 . . . . 91 PRO HG2 . 10159 1 1081 . 1 1 92 92 ASN N N 15 118.175 0.300 . 1 . . . . 92 ASN N . 10159 1 1082 . 1 1 92 92 ASN H H 1 8.429 0.030 . 1 . . . . 92 ASN H . 10159 1 1083 . 1 1 92 92 ASN CA C 13 53.343 0.300 . 1 . . . . 92 ASN CA . 10159 1 1084 . 1 1 92 92 ASN HA H 1 4.691 0.030 . 1 . . . . 92 ASN HA . 10159 1 1085 . 1 1 92 92 ASN CB C 13 39.000 0.300 . 1 . . . . 92 ASN CB . 10159 1 1086 . 1 1 92 92 ASN HB3 H 1 2.864 0.030 . 1 . . . . 92 ASN HB3 . 10159 1 1087 . 1 1 92 92 ASN ND2 N 15 113.290 0.300 . 1 . . . . 92 ASN ND2 . 10159 1 1088 . 1 1 92 92 ASN HD21 H 1 6.940 0.030 . 2 . . . . 92 ASN HD21 . 10159 1 1089 . 1 1 92 92 ASN HD22 H 1 7.644 0.030 . 2 . . . . 92 ASN HD22 . 10159 1 1090 . 1 1 92 92 ASN HB2 H 1 2.864 0.030 . 1 . . . . 92 ASN HB2 . 10159 1 1091 . 1 1 93 93 SER N N 15 115.984 0.300 . 1 . . . . 93 SER N . 10159 1 1092 . 1 1 93 93 SER H H 1 8.344 0.030 . 1 . . . . 93 SER H . 10159 1 1093 . 1 1 93 93 SER CA C 13 58.618 0.300 . 1 . . . . 93 SER CA . 10159 1 1094 . 1 1 93 93 SER HA H 1 4.474 0.030 . 1 . . . . 93 SER HA . 10159 1 1095 . 1 1 93 93 SER CB C 13 63.894 0.300 . 1 . . . . 93 SER CB . 10159 1 1096 . 1 1 93 93 SER HB3 H 1 3.908 0.030 . 1 . . . . 93 SER HB3 . 10159 1 1097 . 1 1 93 93 SER HB2 H 1 3.908 0.030 . 1 . . . . 93 SER HB2 . 10159 1 1098 . 1 1 94 94 GLY N N 15 111.442 0.300 . 1 . . . . 94 GLY N . 10159 1 1099 . 1 1 94 94 GLY H H 1 8.499 0.030 . 1 . . . . 94 GLY H . 10159 1 1100 . 1 1 94 94 GLY CA C 13 45.417 0.300 . 1 . . . . 94 GLY CA . 10159 1 1101 . 1 1 94 94 GLY HA3 H 1 4.016 0.030 . 1 . . . . 94 GLY HA3 . 10159 1 1102 . 1 1 94 94 GLY C C 13 173.391 0.300 . 1 . . . . 94 GLY C . 10159 1 1103 . 1 1 94 94 GLY HA2 H 1 4.016 0.030 . 1 . . . . 94 GLY HA2 . 10159 1 1104 . 1 1 95 95 SER N N 15 121.279 0.300 . 1 . . . . 95 SER N . 10159 1 1105 . 1 1 95 95 SER H H 1 7.916 0.030 . 1 . . . . 95 SER H . 10159 1 1106 . 1 1 95 95 SER CA C 13 59.887 0.300 . 1 . . . . 95 SER CA . 10159 1 1107 . 1 1 95 95 SER HA H 1 4.311 0.030 . 1 . . . . 95 SER HA . 10159 1 1108 . 1 1 95 95 SER CB C 13 64.927 0.300 . 1 . . . . 95 SER CB . 10159 1 1109 . 1 1 95 95 SER HB3 H 1 3.853 0.030 . 1 . . . . 95 SER HB3 . 10159 1 1110 . 1 1 95 95 SER C C 13 178.685 0.300 . 1 . . . . 95 SER C . 10159 1 1111 . 1 1 95 95 SER HB2 H 1 3.853 0.030 . 1 . . . . 95 SER HB2 . 10159 1 stop_ save_