data_10328 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10328 _Entry.Title ; Solution structure of the 14th Filamin domain from human Filamin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-14 _Entry.Accession_date 2009-04-14 _Entry.Last_release_date 2010-04-14 _Entry.Original_release_date 2010-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10328 2 T. Kigawa . . . 10328 3 S. Koshiba . . . 10328 4 M. Inoue . . . 10328 5 S. Yokoyama . . . 10328 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' 10328 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10328 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 467 10328 '15N chemical shifts' 106 10328 '1H chemical shifts' 720 10328 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-04-14 2009-04-14 original author . 10328 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D7M 'BMRB Entry Tracking System' 10328 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10328 _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 14th Filamin domain from human Filamin C' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10328 1 2 T. Kigawa . . . 10328 1 3 S. Koshiba . . . 10328 1 4 M. Inoue . . . 10328 1 5 S. Yokoyama . . . 10328 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10328 _Assembly.ID 1 _Assembly.Name Filamin-C _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10328 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 2D7M . . . . . . 10328 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10328 _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 ; GSSGSSGAHDASKVRASGPG LNASGIPASLPVEFTIDARD AGEGLLTVQILDPEGKPKKA NIRDNGDGTYTVSYLPDMSG RYTITIKYGGDEIPYSPFRI HALPTGDASSGPSSG ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2D7M . "Solution Structure Of The 14th Filamin Domain From Human Filamin C" . . . . . 100.00 115 100.00 100.00 4.59e-74 . . . . 10328 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10328 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 . 10328 1 2 . SER . 10328 1 3 . SER . 10328 1 4 . GLY . 10328 1 5 . SER . 10328 1 6 . SER . 10328 1 7 . GLY . 10328 1 8 . ALA . 10328 1 9 . HIS . 10328 1 10 . ASP . 10328 1 11 . ALA . 10328 1 12 . SER . 10328 1 13 . LYS . 10328 1 14 . VAL . 10328 1 15 . ARG . 10328 1 16 . ALA . 10328 1 17 . SER . 10328 1 18 . GLY . 10328 1 19 . PRO . 10328 1 20 . GLY . 10328 1 21 . LEU . 10328 1 22 . ASN . 10328 1 23 . ALA . 10328 1 24 . SER . 10328 1 25 . GLY . 10328 1 26 . ILE . 10328 1 27 . PRO . 10328 1 28 . ALA . 10328 1 29 . SER . 10328 1 30 . LEU . 10328 1 31 . PRO . 10328 1 32 . VAL . 10328 1 33 . GLU . 10328 1 34 . PHE . 10328 1 35 . THR . 10328 1 36 . ILE . 10328 1 37 . ASP . 10328 1 38 . ALA . 10328 1 39 . ARG . 10328 1 40 . ASP . 10328 1 41 . ALA . 10328 1 42 . GLY . 10328 1 43 . GLU . 10328 1 44 . GLY . 10328 1 45 . LEU . 10328 1 46 . LEU . 10328 1 47 . THR . 10328 1 48 . VAL . 10328 1 49 . GLN . 10328 1 50 . ILE . 10328 1 51 . LEU . 10328 1 52 . ASP . 10328 1 53 . PRO . 10328 1 54 . GLU . 10328 1 55 . GLY . 10328 1 56 . LYS . 10328 1 57 . PRO . 10328 1 58 . LYS . 10328 1 59 . LYS . 10328 1 60 . ALA . 10328 1 61 . ASN . 10328 1 62 . ILE . 10328 1 63 . ARG . 10328 1 64 . ASP . 10328 1 65 . ASN . 10328 1 66 . GLY . 10328 1 67 . ASP . 10328 1 68 . GLY . 10328 1 69 . THR . 10328 1 70 . TYR . 10328 1 71 . THR . 10328 1 72 . VAL . 10328 1 73 . SER . 10328 1 74 . TYR . 10328 1 75 . LEU . 10328 1 76 . PRO . 10328 1 77 . ASP . 10328 1 78 . MET . 10328 1 79 . SER . 10328 1 80 . GLY . 10328 1 81 . ARG . 10328 1 82 . TYR . 10328 1 83 . THR . 10328 1 84 . ILE . 10328 1 85 . THR . 10328 1 86 . ILE . 10328 1 87 . LYS . 10328 1 88 . TYR . 10328 1 89 . GLY . 10328 1 90 . GLY . 10328 1 91 . ASP . 10328 1 92 . GLU . 10328 1 93 . ILE . 10328 1 94 . PRO . 10328 1 95 . TYR . 10328 1 96 . SER . 10328 1 97 . PRO . 10328 1 98 . PHE . 10328 1 99 . ARG . 10328 1 100 . ILE . 10328 1 101 . HIS . 10328 1 102 . ALA . 10328 1 103 . LEU . 10328 1 104 . PRO . 10328 1 105 . THR . 10328 1 106 . GLY . 10328 1 107 . ASP . 10328 1 108 . ALA . 10328 1 109 . SER . 10328 1 110 . SER . 10328 1 111 . GLY . 10328 1 112 . PRO . 10328 1 113 . SER . 10328 1 114 . SER . 10328 1 115 . GLY . 10328 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 10328 1 . SER 2 2 10328 1 . SER 3 3 10328 1 . GLY 4 4 10328 1 . SER 5 5 10328 1 . SER 6 6 10328 1 . GLY 7 7 10328 1 . ALA 8 8 10328 1 . HIS 9 9 10328 1 . ASP 10 10 10328 1 . ALA 11 11 10328 1 . SER 12 12 10328 1 . LYS 13 13 10328 1 . VAL 14 14 10328 1 . ARG 15 15 10328 1 . ALA 16 16 10328 1 . SER 17 17 10328 1 . GLY 18 18 10328 1 . PRO 19 19 10328 1 . GLY 20 20 10328 1 . LEU 21 21 10328 1 . ASN 22 22 10328 1 . ALA 23 23 10328 1 . SER 24 24 10328 1 . GLY 25 25 10328 1 . ILE 26 26 10328 1 . PRO 27 27 10328 1 . ALA 28 28 10328 1 . SER 29 29 10328 1 . LEU 30 30 10328 1 . PRO 31 31 10328 1 . VAL 32 32 10328 1 . GLU 33 33 10328 1 . PHE 34 34 10328 1 . THR 35 35 10328 1 . ILE 36 36 10328 1 . ASP 37 37 10328 1 . ALA 38 38 10328 1 . ARG 39 39 10328 1 . ASP 40 40 10328 1 . ALA 41 41 10328 1 . GLY 42 42 10328 1 . GLU 43 43 10328 1 . GLY 44 44 10328 1 . LEU 45 45 10328 1 . LEU 46 46 10328 1 . THR 47 47 10328 1 . VAL 48 48 10328 1 . GLN 49 49 10328 1 . ILE 50 50 10328 1 . LEU 51 51 10328 1 . ASP 52 52 10328 1 . PRO 53 53 10328 1 . GLU 54 54 10328 1 . GLY 55 55 10328 1 . LYS 56 56 10328 1 . PRO 57 57 10328 1 . LYS 58 58 10328 1 . LYS 59 59 10328 1 . ALA 60 60 10328 1 . ASN 61 61 10328 1 . ILE 62 62 10328 1 . ARG 63 63 10328 1 . ASP 64 64 10328 1 . ASN 65 65 10328 1 . GLY 66 66 10328 1 . ASP 67 67 10328 1 . GLY 68 68 10328 1 . THR 69 69 10328 1 . TYR 70 70 10328 1 . THR 71 71 10328 1 . VAL 72 72 10328 1 . SER 73 73 10328 1 . TYR 74 74 10328 1 . LEU 75 75 10328 1 . PRO 76 76 10328 1 . ASP 77 77 10328 1 . MET 78 78 10328 1 . SER 79 79 10328 1 . GLY 80 80 10328 1 . ARG 81 81 10328 1 . TYR 82 82 10328 1 . THR 83 83 10328 1 . ILE 84 84 10328 1 . THR 85 85 10328 1 . ILE 86 86 10328 1 . LYS 87 87 10328 1 . TYR 88 88 10328 1 . GLY 89 89 10328 1 . GLY 90 90 10328 1 . ASP 91 91 10328 1 . GLU 92 92 10328 1 . ILE 93 93 10328 1 . PRO 94 94 10328 1 . TYR 95 95 10328 1 . SER 96 96 10328 1 . PRO 97 97 10328 1 . PHE 98 98 10328 1 . ARG 99 99 10328 1 . ILE 100 100 10328 1 . HIS 101 101 10328 1 . ALA 102 102 10328 1 . LEU 103 103 10328 1 . PRO 104 104 10328 1 . THR 105 105 10328 1 . GLY 106 106 10328 1 . ASP 107 107 10328 1 . ALA 108 108 10328 1 . SER 109 109 10328 1 . SER 110 110 10328 1 . GLY 111 111 10328 1 . PRO 112 112 10328 1 . SER 113 113 10328 1 . SER 114 114 10328 1 . GLY 115 115 10328 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 10328 _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 . . . . . . . . . . . . . . . . . . . . . 10328 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 10328 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-01 . . . . . . 10328 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10328 _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 1.22 . . mM . . . . 10328 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10328 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10328 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10328 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10328 1 6 H2O . . . . . . solvent 90 . . % . . . . 10328 1 7 D2O . . . . . . solvent 10 . . % . . . . 10328 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 10328 _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 10328 1 pH 7.0 0.05 pH 10328 1 pressure 1 0.001 atm 10328 1 temperature 296 0.1 K 10328 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10328 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10328 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10328 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10328 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10328 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10328 _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.' . . 10328 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10328 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10328 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10328 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10328 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10328 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10328 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10328 5 'structure solution' 10328 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 10328 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10328 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10328 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 10328 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10328 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10328 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 10328 _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 . . . . . . . . . 10328 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10328 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10328 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 10328 _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 10328 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10328 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.866 0.030 . 1 . . . . 1 GLY HA2 . 10328 1 2 . 1 1 1 1 GLY HA3 H 1 3.866 0.030 . 1 . . . . 1 GLY HA3 . 10328 1 3 . 1 1 1 1 GLY CA C 13 43.633 0.300 . 1 . . . . 1 GLY CA . 10328 1 4 . 1 1 4 4 GLY HA2 H 1 4.008 0.030 . 1 . . . . 4 GLY HA2 . 10328 1 5 . 1 1 4 4 GLY HA3 H 1 4.008 0.030 . 1 . . . . 4 GLY HA3 . 10328 1 6 . 1 1 4 4 GLY C C 13 174.235 0.300 . 1 . . . . 4 GLY C . 10328 1 7 . 1 1 4 4 GLY CA C 13 45.357 0.300 . 1 . . . . 4 GLY CA . 10328 1 8 . 1 1 5 5 SER H H 1 8.270 0.030 . 1 . . . . 5 SER H . 10328 1 9 . 1 1 5 5 SER HA H 1 4.487 0.030 . 1 . . . . 5 SER HA . 10328 1 10 . 1 1 5 5 SER HB2 H 1 3.894 0.030 . 1 . . . . 5 SER HB2 . 10328 1 11 . 1 1 5 5 SER HB3 H 1 3.894 0.030 . 1 . . . . 5 SER HB3 . 10328 1 12 . 1 1 5 5 SER C C 13 174.713 0.300 . 1 . . . . 5 SER C . 10328 1 13 . 1 1 5 5 SER CA C 13 58.304 0.300 . 1 . . . . 5 SER CA . 10328 1 14 . 1 1 5 5 SER CB C 13 63.977 0.300 . 1 . . . . 5 SER CB . 10328 1 15 . 1 1 5 5 SER N N 15 115.823 0.300 . 1 . . . . 5 SER N . 10328 1 16 . 1 1 6 6 SER H H 1 8.344 0.030 . 1 . . . . 6 SER H . 10328 1 17 . 1 1 6 6 SER HA H 1 4.477 0.030 . 1 . . . . 6 SER HA . 10328 1 18 . 1 1 6 6 SER HB2 H 1 3.877 0.030 . 1 . . . . 6 SER HB2 . 10328 1 19 . 1 1 6 6 SER HB3 H 1 3.877 0.030 . 1 . . . . 6 SER HB3 . 10328 1 20 . 1 1 6 6 SER C C 13 173.959 0.300 . 1 . . . . 6 SER C . 10328 1 21 . 1 1 6 6 SER CA C 13 58.410 0.300 . 1 . . . . 6 SER CA . 10328 1 22 . 1 1 6 6 SER CB C 13 63.894 0.300 . 1 . . . . 6 SER CB . 10328 1 23 . 1 1 6 6 SER N N 15 117.945 0.300 . 1 . . . . 6 SER N . 10328 1 24 . 1 1 7 7 GLY H H 1 8.493 0.030 . 1 . . . . 7 GLY H . 10328 1 25 . 1 1 7 7 GLY HA2 H 1 4.036 0.030 . 1 . . . . 7 GLY HA2 . 10328 1 26 . 1 1 7 7 GLY HA3 H 1 4.036 0.030 . 1 . . . . 7 GLY HA3 . 10328 1 27 . 1 1 7 7 GLY C C 13 173.515 0.300 . 1 . . . . 7 GLY C . 10328 1 28 . 1 1 7 7 GLY CA C 13 45.285 0.300 . 1 . . . . 7 GLY CA . 10328 1 29 . 1 1 7 7 GLY N N 15 110.923 0.300 . 1 . . . . 7 GLY N . 10328 1 30 . 1 1 8 8 ALA H H 1 8.339 0.030 . 1 . . . . 8 ALA H . 10328 1 31 . 1 1 8 8 ALA HA H 1 4.507 0.030 . 1 . . . . 8 ALA HA . 10328 1 32 . 1 1 8 8 ALA HB1 H 1 1.443 0.030 . 1 . . . . 8 ALA HB . 10328 1 33 . 1 1 8 8 ALA HB2 H 1 1.443 0.030 . 1 . . . . 8 ALA HB . 10328 1 34 . 1 1 8 8 ALA HB3 H 1 1.443 0.030 . 1 . . . . 8 ALA HB . 10328 1 35 . 1 1 8 8 ALA C C 13 176.858 0.300 . 1 . . . . 8 ALA C . 10328 1 36 . 1 1 8 8 ALA CA C 13 52.332 0.300 . 1 . . . . 8 ALA CA . 10328 1 37 . 1 1 8 8 ALA CB C 13 19.614 0.300 . 1 . . . . 8 ALA CB . 10328 1 38 . 1 1 8 8 ALA N N 15 123.711 0.300 . 1 . . . . 8 ALA N . 10328 1 39 . 1 1 9 9 HIS H H 1 7.880 0.030 . 1 . . . . 9 HIS H . 10328 1 40 . 1 1 9 9 HIS HA H 1 5.289 0.030 . 1 . . . . 9 HIS HA . 10328 1 41 . 1 1 9 9 HIS HB2 H 1 2.938 0.030 . 2 . . . . 9 HIS HB2 . 10328 1 42 . 1 1 9 9 HIS HB3 H 1 3.138 0.030 . 2 . . . . 9 HIS HB3 . 10328 1 43 . 1 1 9 9 HIS HD2 H 1 6.934 0.030 . 1 . . . . 9 HIS HD2 . 10328 1 44 . 1 1 9 9 HIS HE1 H 1 8.065 0.030 . 1 . . . . 9 HIS HE1 . 10328 1 45 . 1 1 9 9 HIS C C 13 174.519 0.300 . 1 . . . . 9 HIS C . 10328 1 46 . 1 1 9 9 HIS CA C 13 55.706 0.300 . 1 . . . . 9 HIS CA . 10328 1 47 . 1 1 9 9 HIS CB C 13 32.693 0.300 . 1 . . . . 9 HIS CB . 10328 1 48 . 1 1 9 9 HIS CD2 C 13 118.986 0.300 . 1 . . . . 9 HIS CD2 . 10328 1 49 . 1 1 9 9 HIS CE1 C 13 139.106 0.300 . 1 . . . . 9 HIS CE1 . 10328 1 50 . 1 1 9 9 HIS N N 15 117.520 0.300 . 1 . . . . 9 HIS N . 10328 1 51 . 1 1 10 10 ASP H H 1 8.658 0.030 . 1 . . . . 10 ASP H . 10328 1 52 . 1 1 10 10 ASP HA H 1 4.641 0.030 . 1 . . . . 10 ASP HA . 10328 1 53 . 1 1 10 10 ASP HB2 H 1 2.447 0.030 . 2 . . . . 10 ASP HB2 . 10328 1 54 . 1 1 10 10 ASP HB3 H 1 2.784 0.030 . 2 . . . . 10 ASP HB3 . 10328 1 55 . 1 1 10 10 ASP C C 13 176.698 0.300 . 1 . . . . 10 ASP C . 10328 1 56 . 1 1 10 10 ASP CA C 13 52.885 0.300 . 1 . . . . 10 ASP CA . 10328 1 57 . 1 1 10 10 ASP CB C 13 41.230 0.300 . 1 . . . . 10 ASP CB . 10328 1 58 . 1 1 10 10 ASP N N 15 118.360 0.300 . 1 . . . . 10 ASP N . 10328 1 59 . 1 1 11 11 ALA H H 1 9.577 0.030 . 1 . . . . 11 ALA H . 10328 1 60 . 1 1 11 11 ALA HA H 1 4.177 0.030 . 1 . . . . 11 ALA HA . 10328 1 61 . 1 1 11 11 ALA HB1 H 1 1.788 0.030 . 1 . . . . 11 ALA HB . 10328 1 62 . 1 1 11 11 ALA HB2 H 1 1.788 0.030 . 1 . . . . 11 ALA HB . 10328 1 63 . 1 1 11 11 ALA HB3 H 1 1.788 0.030 . 1 . . . . 11 ALA HB . 10328 1 64 . 1 1 11 11 ALA C C 13 178.197 0.300 . 1 . . . . 11 ALA C . 10328 1 65 . 1 1 11 11 ALA CA C 13 54.881 0.300 . 1 . . . . 11 ALA CA . 10328 1 66 . 1 1 11 11 ALA CB C 13 20.090 0.300 . 1 . . . . 11 ALA CB . 10328 1 67 . 1 1 11 11 ALA N N 15 126.348 0.300 . 1 . . . . 11 ALA N . 10328 1 68 . 1 1 12 12 SER H H 1 8.265 0.030 . 1 . . . . 12 SER H . 10328 1 69 . 1 1 12 12 SER HA H 1 4.251 0.030 . 1 . . . . 12 SER HA . 10328 1 70 . 1 1 12 12 SER HB2 H 1 4.007 0.030 . 2 . . . . 12 SER HB2 . 10328 1 71 . 1 1 12 12 SER HB3 H 1 3.949 0.030 . 2 . . . . 12 SER HB3 . 10328 1 72 . 1 1 12 12 SER C C 13 175.423 0.300 . 1 . . . . 12 SER C . 10328 1 73 . 1 1 12 12 SER CA C 13 60.931 0.300 . 1 . . . . 12 SER CA . 10328 1 74 . 1 1 12 12 SER CB C 13 62.767 0.300 . 1 . . . . 12 SER CB . 10328 1 75 . 1 1 12 12 SER N N 15 111.399 0.300 . 1 . . . . 12 SER N . 10328 1 76 . 1 1 13 13 LYS H H 1 7.305 0.030 . 1 . . . . 13 LYS H . 10328 1 77 . 1 1 13 13 LYS HA H 1 4.357 0.030 . 1 . . . . 13 LYS HA . 10328 1 78 . 1 1 13 13 LYS HB2 H 1 1.493 0.030 . 2 . . . . 13 LYS HB2 . 10328 1 79 . 1 1 13 13 LYS HB3 H 1 1.853 0.030 . 2 . . . . 13 LYS HB3 . 10328 1 80 . 1 1 13 13 LYS HD2 H 1 1.594 0.030 . 2 . . . . 13 LYS HD2 . 10328 1 81 . 1 1 13 13 LYS HD3 H 1 1.566 0.030 . 2 . . . . 13 LYS HD3 . 10328 1 82 . 1 1 13 13 LYS HE2 H 1 2.947 0.030 . 1 . . . . 13 LYS HE2 . 10328 1 83 . 1 1 13 13 LYS HE3 H 1 2.947 0.030 . 1 . . . . 13 LYS HE3 . 10328 1 84 . 1 1 13 13 LYS HG2 H 1 1.210 0.030 . 2 . . . . 13 LYS HG2 . 10328 1 85 . 1 1 13 13 LYS HG3 H 1 1.427 0.030 . 2 . . . . 13 LYS HG3 . 10328 1 86 . 1 1 13 13 LYS C C 13 176.620 0.300 . 1 . . . . 13 LYS C . 10328 1 87 . 1 1 13 13 LYS CA C 13 54.837 0.300 . 1 . . . . 13 LYS CA . 10328 1 88 . 1 1 13 13 LYS CB C 13 33.122 0.300 . 1 . . . . 13 LYS CB . 10328 1 89 . 1 1 13 13 LYS CD C 13 28.502 0.300 . 1 . . . . 13 LYS CD . 10328 1 90 . 1 1 13 13 LYS CE C 13 42.409 0.300 . 1 . . . . 13 LYS CE . 10328 1 91 . 1 1 13 13 LYS CG C 13 25.052 0.300 . 1 . . . . 13 LYS CG . 10328 1 92 . 1 1 13 13 LYS N N 15 119.608 0.300 . 1 . . . . 13 LYS N . 10328 1 93 . 1 1 14 14 VAL H H 1 7.437 0.030 . 1 . . . . 14 VAL H . 10328 1 94 . 1 1 14 14 VAL HA H 1 3.975 0.030 . 1 . . . . 14 VAL HA . 10328 1 95 . 1 1 14 14 VAL HB H 1 2.059 0.030 . 1 . . . . 14 VAL HB . 10328 1 96 . 1 1 14 14 VAL HG11 H 1 0.670 0.030 . 1 . . . . 14 VAL HG1 . 10328 1 97 . 1 1 14 14 VAL HG12 H 1 0.670 0.030 . 1 . . . . 14 VAL HG1 . 10328 1 98 . 1 1 14 14 VAL HG13 H 1 0.670 0.030 . 1 . . . . 14 VAL HG1 . 10328 1 99 . 1 1 14 14 VAL HG21 H 1 0.468 0.030 . 1 . . . . 14 VAL HG2 . 10328 1 100 . 1 1 14 14 VAL HG22 H 1 0.468 0.030 . 1 . . . . 14 VAL HG2 . 10328 1 101 . 1 1 14 14 VAL HG23 H 1 0.468 0.030 . 1 . . . . 14 VAL HG2 . 10328 1 102 . 1 1 14 14 VAL C C 13 175.286 0.300 . 1 . . . . 14 VAL C . 10328 1 103 . 1 1 14 14 VAL CA C 13 63.295 0.300 . 1 . . . . 14 VAL CA . 10328 1 104 . 1 1 14 14 VAL CB C 13 31.264 0.300 . 1 . . . . 14 VAL CB . 10328 1 105 . 1 1 14 14 VAL CG1 C 13 23.501 0.300 . 2 . . . . 14 VAL CG1 . 10328 1 106 . 1 1 14 14 VAL CG2 C 13 23.656 0.300 . 2 . . . . 14 VAL CG2 . 10328 1 107 . 1 1 14 14 VAL N N 15 122.217 0.300 . 1 . . . . 14 VAL N . 10328 1 108 . 1 1 15 15 ARG H H 1 8.266 0.030 . 1 . . . . 15 ARG H . 10328 1 109 . 1 1 15 15 ARG HA H 1 4.819 0.030 . 1 . . . . 15 ARG HA . 10328 1 110 . 1 1 15 15 ARG HB2 H 1 1.806 0.030 . 2 . . . . 15 ARG HB2 . 10328 1 111 . 1 1 15 15 ARG HB3 H 1 1.976 0.030 . 2 . . . . 15 ARG HB3 . 10328 1 112 . 1 1 15 15 ARG HD2 H 1 3.187 0.030 . 2 . . . . 15 ARG HD2 . 10328 1 113 . 1 1 15 15 ARG HD3 H 1 3.353 0.030 . 2 . . . . 15 ARG HD3 . 10328 1 114 . 1 1 15 15 ARG HG2 H 1 1.684 0.030 . 2 . . . . 15 ARG HG2 . 10328 1 115 . 1 1 15 15 ARG HG3 H 1 1.629 0.030 . 2 . . . . 15 ARG HG3 . 10328 1 116 . 1 1 15 15 ARG C C 13 174.487 0.300 . 1 . . . . 15 ARG C . 10328 1 117 . 1 1 15 15 ARG CA C 13 54.727 0.300 . 1 . . . . 15 ARG CA . 10328 1 118 . 1 1 15 15 ARG CB C 13 33.732 0.300 . 1 . . . . 15 ARG CB . 10328 1 119 . 1 1 15 15 ARG CD C 13 43.212 0.300 . 1 . . . . 15 ARG CD . 10328 1 120 . 1 1 15 15 ARG CG C 13 27.678 0.300 . 1 . . . . 15 ARG CG . 10328 1 121 . 1 1 15 15 ARG N N 15 126.875 0.300 . 1 . . . . 15 ARG N . 10328 1 122 . 1 1 16 16 ALA H H 1 8.730 0.030 . 1 . . . . 16 ALA H . 10328 1 123 . 1 1 16 16 ALA HA H 1 5.509 0.030 . 1 . . . . 16 ALA HA . 10328 1 124 . 1 1 16 16 ALA HB1 H 1 1.076 0.030 . 1 . . . . 16 ALA HB . 10328 1 125 . 1 1 16 16 ALA HB2 H 1 1.076 0.030 . 1 . . . . 16 ALA HB . 10328 1 126 . 1 1 16 16 ALA HB3 H 1 1.076 0.030 . 1 . . . . 16 ALA HB . 10328 1 127 . 1 1 16 16 ALA C C 13 175.513 0.300 . 1 . . . . 16 ALA C . 10328 1 128 . 1 1 16 16 ALA CA C 13 50.694 0.300 . 1 . . . . 16 ALA CA . 10328 1 129 . 1 1 16 16 ALA CB C 13 22.444 0.300 . 1 . . . . 16 ALA CB . 10328 1 130 . 1 1 16 16 ALA N N 15 127.011 0.300 . 1 . . . . 16 ALA N . 10328 1 131 . 1 1 17 17 SER H H 1 8.883 0.030 . 1 . . . . 17 SER H . 10328 1 132 . 1 1 17 17 SER HA H 1 4.567 0.030 . 1 . . . . 17 SER HA . 10328 1 133 . 1 1 17 17 SER HB2 H 1 3.921 0.030 . 2 . . . . 17 SER HB2 . 10328 1 134 . 1 1 17 17 SER HB3 H 1 3.895 0.030 . 2 . . . . 17 SER HB3 . 10328 1 135 . 1 1 17 17 SER C C 13 172.201 0.300 . 1 . . . . 17 SER C . 10328 1 136 . 1 1 17 17 SER CA C 13 57.985 0.300 . 1 . . . . 17 SER CA . 10328 1 137 . 1 1 17 17 SER CB C 13 65.405 0.300 . 1 . . . . 17 SER CB . 10328 1 138 . 1 1 17 17 SER N N 15 114.662 0.300 . 1 . . . . 17 SER N . 10328 1 139 . 1 1 18 18 GLY H H 1 8.442 0.030 . 1 . . . . 18 GLY H . 10328 1 140 . 1 1 18 18 GLY HA2 H 1 5.129 0.030 . 2 . . . . 18 GLY HA2 . 10328 1 141 . 1 1 18 18 GLY HA3 H 1 4.072 0.030 . 2 . . . . 18 GLY HA3 . 10328 1 142 . 1 1 18 18 GLY C C 13 173.442 0.300 . 1 . . . . 18 GLY C . 10328 1 143 . 1 1 18 18 GLY CA C 13 44.947 0.300 . 1 . . . . 18 GLY CA . 10328 1 144 . 1 1 18 18 GLY N N 15 107.608 0.300 . 1 . . . . 18 GLY N . 10328 1 145 . 1 1 19 19 PRO HA H 1 4.325 0.030 . 1 . . . . 19 PRO HA . 10328 1 146 . 1 1 19 19 PRO HB2 H 1 2.180 0.030 . 2 . . . . 19 PRO HB2 . 10328 1 147 . 1 1 19 19 PRO HB3 H 1 2.439 0.030 . 2 . . . . 19 PRO HB3 . 10328 1 148 . 1 1 19 19 PRO HD2 H 1 3.712 0.030 . 2 . . . . 19 PRO HD2 . 10328 1 149 . 1 1 19 19 PRO HD3 H 1 3.965 0.030 . 2 . . . . 19 PRO HD3 . 10328 1 150 . 1 1 19 19 PRO HG2 H 1 2.068 0.030 . 2 . . . . 19 PRO HG2 . 10328 1 151 . 1 1 19 19 PRO HG3 H 1 2.394 0.030 . 2 . . . . 19 PRO HG3 . 10328 1 152 . 1 1 19 19 PRO C C 13 179.514 0.300 . 1 . . . . 19 PRO C . 10328 1 153 . 1 1 19 19 PRO CA C 13 65.846 0.300 . 1 . . . . 19 PRO CA . 10328 1 154 . 1 1 19 19 PRO CB C 13 31.896 0.300 . 1 . . . . 19 PRO CB . 10328 1 155 . 1 1 19 19 PRO CD C 13 50.126 0.300 . 1 . . . . 19 PRO CD . 10328 1 156 . 1 1 19 19 PRO CG C 13 27.700 0.300 . 1 . . . . 19 PRO CG . 10328 1 157 . 1 1 20 20 GLY H H 1 8.964 0.030 . 1 . . . . 20 GLY H . 10328 1 158 . 1 1 20 20 GLY HA2 H 1 3.245 0.030 . 2 . . . . 20 GLY HA2 . 10328 1 159 . 1 1 20 20 GLY HA3 H 1 4.022 0.030 . 2 . . . . 20 GLY HA3 . 10328 1 160 . 1 1 20 20 GLY C C 13 171.417 0.300 . 1 . . . . 20 GLY C . 10328 1 161 . 1 1 20 20 GLY CA C 13 46.641 0.300 . 1 . . . . 20 GLY CA . 10328 1 162 . 1 1 20 20 GLY N N 15 101.139 0.300 . 1 . . . . 20 GLY N . 10328 1 163 . 1 1 21 21 LEU H H 1 7.579 0.030 . 1 . . . . 21 LEU H . 10328 1 164 . 1 1 21 21 LEU HA H 1 4.317 0.030 . 1 . . . . 21 LEU HA . 10328 1 165 . 1 1 21 21 LEU HB2 H 1 1.001 0.030 . 2 . . . . 21 LEU HB2 . 10328 1 166 . 1 1 21 21 LEU HB3 H 1 1.260 0.030 . 2 . . . . 21 LEU HB3 . 10328 1 167 . 1 1 21 21 LEU HD11 H 1 -0.469 0.030 . 1 . . . . 21 LEU HD1 . 10328 1 168 . 1 1 21 21 LEU HD12 H 1 -0.469 0.030 . 1 . . . . 21 LEU HD1 . 10328 1 169 . 1 1 21 21 LEU HD13 H 1 -0.469 0.030 . 1 . . . . 21 LEU HD1 . 10328 1 170 . 1 1 21 21 LEU HD21 H 1 -0.592 0.030 . 1 . . . . 21 LEU HD2 . 10328 1 171 . 1 1 21 21 LEU HD22 H 1 -0.592 0.030 . 1 . . . . 21 LEU HD2 . 10328 1 172 . 1 1 21 21 LEU HD23 H 1 -0.592 0.030 . 1 . . . . 21 LEU HD2 . 10328 1 173 . 1 1 21 21 LEU HG H 1 0.113 0.030 . 1 . . . . 21 LEU HG . 10328 1 174 . 1 1 21 21 LEU C C 13 176.341 0.300 . 1 . . . . 21 LEU C . 10328 1 175 . 1 1 21 21 LEU CA C 13 52.554 0.300 . 1 . . . . 21 LEU CA . 10328 1 176 . 1 1 21 21 LEU CB C 13 41.445 0.300 . 1 . . . . 21 LEU CB . 10328 1 177 . 1 1 21 21 LEU CD1 C 13 25.437 0.300 . 2 . . . . 21 LEU CD1 . 10328 1 178 . 1 1 21 21 LEU CD2 C 13 21.149 0.300 . 2 . . . . 21 LEU CD2 . 10328 1 179 . 1 1 21 21 LEU CG C 13 25.481 0.300 . 1 . . . . 21 LEU CG . 10328 1 180 . 1 1 21 21 LEU N N 15 116.781 0.300 . 1 . . . . 21 LEU N . 10328 1 181 . 1 1 22 22 ASN H H 1 6.924 0.030 . 1 . . . . 22 ASN H . 10328 1 182 . 1 1 22 22 ASN HA H 1 4.448 0.030 . 1 . . . . 22 ASN HA . 10328 1 183 . 1 1 22 22 ASN HB2 H 1 2.902 0.030 . 1 . . . . 22 ASN HB2 . 10328 1 184 . 1 1 22 22 ASN HB3 H 1 2.902 0.030 . 1 . . . . 22 ASN HB3 . 10328 1 185 . 1 1 22 22 ASN HD21 H 1 7.004 0.030 . 2 . . . . 22 ASN HD21 . 10328 1 186 . 1 1 22 22 ASN HD22 H 1 7.846 0.030 . 2 . . . . 22 ASN HD22 . 10328 1 187 . 1 1 22 22 ASN C C 13 176.463 0.300 . 1 . . . . 22 ASN C . 10328 1 188 . 1 1 22 22 ASN CA C 13 54.691 0.300 . 1 . . . . 22 ASN CA . 10328 1 189 . 1 1 22 22 ASN CB C 13 39.155 0.300 . 1 . . . . 22 ASN CB . 10328 1 190 . 1 1 22 22 ASN N N 15 119.719 0.300 . 1 . . . . 22 ASN N . 10328 1 191 . 1 1 22 22 ASN ND2 N 15 113.360 0.300 . 1 . . . . 22 ASN ND2 . 10328 1 192 . 1 1 23 23 ALA H H 1 8.887 0.030 . 1 . . . . 23 ALA H . 10328 1 193 . 1 1 23 23 ALA HA H 1 4.299 0.030 . 1 . . . . 23 ALA HA . 10328 1 194 . 1 1 23 23 ALA HB1 H 1 1.593 0.030 . 1 . . . . 23 ALA HB . 10328 1 195 . 1 1 23 23 ALA HB2 H 1 1.593 0.030 . 1 . . . . 23 ALA HB . 10328 1 196 . 1 1 23 23 ALA HB3 H 1 1.593 0.030 . 1 . . . . 23 ALA HB . 10328 1 197 . 1 1 23 23 ALA C C 13 179.203 0.300 . 1 . . . . 23 ALA C . 10328 1 198 . 1 1 23 23 ALA CA C 13 54.523 0.300 . 1 . . . . 23 ALA CA . 10328 1 199 . 1 1 23 23 ALA CB C 13 18.985 0.300 . 1 . . . . 23 ALA CB . 10328 1 200 . 1 1 23 23 ALA N N 15 130.203 0.300 . 1 . . . . 23 ALA N . 10328 1 201 . 1 1 24 24 SER H H 1 8.375 0.030 . 1 . . . . 24 SER H . 10328 1 202 . 1 1 24 24 SER HA H 1 4.567 0.030 . 1 . . . . 24 SER HA . 10328 1 203 . 1 1 24 24 SER HB2 H 1 4.024 0.030 . 2 . . . . 24 SER HB2 . 10328 1 204 . 1 1 24 24 SER HB3 H 1 3.971 0.030 . 2 . . . . 24 SER HB3 . 10328 1 205 . 1 1 24 24 SER C C 13 174.372 0.300 . 1 . . . . 24 SER C . 10328 1 206 . 1 1 24 24 SER CA C 13 59.157 0.300 . 1 . . . . 24 SER CA . 10328 1 207 . 1 1 24 24 SER CB C 13 63.292 0.300 . 1 . . . . 24 SER CB . 10328 1 208 . 1 1 24 24 SER N N 15 112.268 0.300 . 1 . . . . 24 SER N . 10328 1 209 . 1 1 25 25 GLY H H 1 7.577 0.030 . 1 . . . . 25 GLY H . 10328 1 210 . 1 1 25 25 GLY HA2 H 1 4.309 0.030 . 2 . . . . 25 GLY HA2 . 10328 1 211 . 1 1 25 25 GLY HA3 H 1 4.484 0.030 . 2 . . . . 25 GLY HA3 . 10328 1 212 . 1 1 25 25 GLY C C 13 172.914 0.300 . 1 . . . . 25 GLY C . 10328 1 213 . 1 1 25 25 GLY CA C 13 44.414 0.300 . 1 . . . . 25 GLY CA . 10328 1 214 . 1 1 25 25 GLY N N 15 111.403 0.300 . 1 . . . . 25 GLY N . 10328 1 215 . 1 1 26 26 ILE H H 1 8.647 0.030 . 1 . . . . 26 ILE H . 10328 1 216 . 1 1 26 26 ILE HA H 1 4.954 0.030 . 1 . . . . 26 ILE HA . 10328 1 217 . 1 1 26 26 ILE HB H 1 1.889 0.030 . 1 . . . . 26 ILE HB . 10328 1 218 . 1 1 26 26 ILE HD11 H 1 0.734 0.030 . 1 . . . . 26 ILE HD1 . 10328 1 219 . 1 1 26 26 ILE HD12 H 1 0.734 0.030 . 1 . . . . 26 ILE HD1 . 10328 1 220 . 1 1 26 26 ILE HD13 H 1 0.734 0.030 . 1 . . . . 26 ILE HD1 . 10328 1 221 . 1 1 26 26 ILE HG12 H 1 0.911 0.030 . 2 . . . . 26 ILE HG12 . 10328 1 222 . 1 1 26 26 ILE HG13 H 1 1.183 0.030 . 2 . . . . 26 ILE HG13 . 10328 1 223 . 1 1 26 26 ILE HG21 H 1 0.977 0.030 . 1 . . . . 26 ILE HG2 . 10328 1 224 . 1 1 26 26 ILE HG22 H 1 0.977 0.030 . 1 . . . . 26 ILE HG2 . 10328 1 225 . 1 1 26 26 ILE HG23 H 1 0.977 0.030 . 1 . . . . 26 ILE HG2 . 10328 1 226 . 1 1 26 26 ILE C C 13 172.883 0.300 . 1 . . . . 26 ILE C . 10328 1 227 . 1 1 26 26 ILE CA C 13 58.282 0.300 . 1 . . . . 26 ILE CA . 10328 1 228 . 1 1 26 26 ILE CB C 13 39.362 0.300 . 1 . . . . 26 ILE CB . 10328 1 229 . 1 1 26 26 ILE CD1 C 13 15.095 0.300 . 1 . . . . 26 ILE CD1 . 10328 1 230 . 1 1 26 26 ILE CG1 C 13 25.337 0.300 . 1 . . . . 26 ILE CG1 . 10328 1 231 . 1 1 26 26 ILE CG2 C 13 18.776 0.300 . 1 . . . . 26 ILE CG2 . 10328 1 232 . 1 1 26 26 ILE N N 15 115.994 0.300 . 1 . . . . 26 ILE N . 10328 1 233 . 1 1 27 27 PRO HA H 1 4.605 0.030 . 1 . . . . 27 PRO HA . 10328 1 234 . 1 1 27 27 PRO HB2 H 1 1.831 0.030 . 2 . . . . 27 PRO HB2 . 10328 1 235 . 1 1 27 27 PRO HB3 H 1 2.199 0.030 . 2 . . . . 27 PRO HB3 . 10328 1 236 . 1 1 27 27 PRO HD2 H 1 3.764 0.030 . 2 . . . . 27 PRO HD2 . 10328 1 237 . 1 1 27 27 PRO HD3 H 1 3.573 0.030 . 2 . . . . 27 PRO HD3 . 10328 1 238 . 1 1 27 27 PRO HG2 H 1 1.950 0.030 . 2 . . . . 27 PRO HG2 . 10328 1 239 . 1 1 27 27 PRO HG3 H 1 2.166 0.030 . 2 . . . . 27 PRO HG3 . 10328 1 240 . 1 1 27 27 PRO C C 13 176.985 0.300 . 1 . . . . 27 PRO C . 10328 1 241 . 1 1 27 27 PRO CA C 13 62.407 0.300 . 1 . . . . 27 PRO CA . 10328 1 242 . 1 1 27 27 PRO CB C 13 31.829 0.300 . 1 . . . . 27 PRO CB . 10328 1 243 . 1 1 27 27 PRO CD C 13 50.099 0.300 . 1 . . . . 27 PRO CD . 10328 1 244 . 1 1 27 27 PRO CG C 13 27.954 0.300 . 1 . . . . 27 PRO CG . 10328 1 245 . 1 1 28 28 ALA H H 1 8.532 0.030 . 1 . . . . 28 ALA H . 10328 1 246 . 1 1 28 28 ALA HA H 1 4.214 0.030 . 1 . . . . 28 ALA HA . 10328 1 247 . 1 1 28 28 ALA HB1 H 1 1.136 0.030 . 1 . . . . 28 ALA HB . 10328 1 248 . 1 1 28 28 ALA HB2 H 1 1.136 0.030 . 1 . . . . 28 ALA HB . 10328 1 249 . 1 1 28 28 ALA HB3 H 1 1.136 0.030 . 1 . . . . 28 ALA HB . 10328 1 250 . 1 1 28 28 ALA C C 13 178.039 0.300 . 1 . . . . 28 ALA C . 10328 1 251 . 1 1 28 28 ALA CA C 13 52.584 0.300 . 1 . . . . 28 ALA CA . 10328 1 252 . 1 1 28 28 ALA CB C 13 18.343 0.300 . 1 . . . . 28 ALA CB . 10328 1 253 . 1 1 28 28 ALA N N 15 124.554 0.300 . 1 . . . . 28 ALA N . 10328 1 254 . 1 1 29 29 SER H H 1 8.556 0.030 . 1 . . . . 29 SER H . 10328 1 255 . 1 1 29 29 SER HA H 1 3.654 0.030 . 1 . . . . 29 SER HA . 10328 1 256 . 1 1 29 29 SER HB2 H 1 4.082 0.030 . 2 . . . . 29 SER HB2 . 10328 1 257 . 1 1 29 29 SER HB3 H 1 4.012 0.030 . 2 . . . . 29 SER HB3 . 10328 1 258 . 1 1 29 29 SER C C 13 172.209 0.300 . 1 . . . . 29 SER C . 10328 1 259 . 1 1 29 29 SER CA C 13 61.156 0.300 . 1 . . . . 29 SER CA . 10328 1 260 . 1 1 29 29 SER CB C 13 62.073 0.300 . 1 . . . . 29 SER CB . 10328 1 261 . 1 1 29 29 SER N N 15 108.424 0.300 . 1 . . . . 29 SER N . 10328 1 262 . 1 1 30 30 LEU H H 1 6.849 0.030 . 1 . . . . 30 LEU H . 10328 1 263 . 1 1 30 30 LEU HA H 1 4.862 0.030 . 1 . . . . 30 LEU HA . 10328 1 264 . 1 1 30 30 LEU HB2 H 1 1.483 0.030 . 2 . . . . 30 LEU HB2 . 10328 1 265 . 1 1 30 30 LEU HB3 H 1 1.424 0.030 . 2 . . . . 30 LEU HB3 . 10328 1 266 . 1 1 30 30 LEU HD11 H 1 0.890 0.030 . 1 . . . . 30 LEU HD1 . 10328 1 267 . 1 1 30 30 LEU HD12 H 1 0.890 0.030 . 1 . . . . 30 LEU HD1 . 10328 1 268 . 1 1 30 30 LEU HD13 H 1 0.890 0.030 . 1 . . . . 30 LEU HD1 . 10328 1 269 . 1 1 30 30 LEU HD21 H 1 0.853 0.030 . 1 . . . . 30 LEU HD2 . 10328 1 270 . 1 1 30 30 LEU HD22 H 1 0.853 0.030 . 1 . . . . 30 LEU HD2 . 10328 1 271 . 1 1 30 30 LEU HD23 H 1 0.853 0.030 . 1 . . . . 30 LEU HD2 . 10328 1 272 . 1 1 30 30 LEU HG H 1 1.515 0.030 . 1 . . . . 30 LEU HG . 10328 1 273 . 1 1 30 30 LEU C C 13 173.782 0.300 . 1 . . . . 30 LEU C . 10328 1 274 . 1 1 30 30 LEU CA C 13 51.443 0.300 . 1 . . . . 30 LEU CA . 10328 1 275 . 1 1 30 30 LEU CB C 13 43.382 0.300 . 1 . . . . 30 LEU CB . 10328 1 276 . 1 1 30 30 LEU CD1 C 13 23.525 0.300 . 2 . . . . 30 LEU CD1 . 10328 1 277 . 1 1 30 30 LEU CD2 C 13 25.266 0.300 . 2 . . . . 30 LEU CD2 . 10328 1 278 . 1 1 30 30 LEU CG C 13 26.934 0.300 . 1 . . . . 30 LEU CG . 10328 1 279 . 1 1 30 30 LEU N N 15 120.897 0.300 . 1 . . . . 30 LEU N . 10328 1 280 . 1 1 31 31 PRO HA H 1 4.451 0.030 . 1 . . . . 31 PRO HA . 10328 1 281 . 1 1 31 31 PRO HB2 H 1 1.810 0.030 . 2 . . . . 31 PRO HB2 . 10328 1 282 . 1 1 31 31 PRO HB3 H 1 2.125 0.030 . 2 . . . . 31 PRO HB3 . 10328 1 283 . 1 1 31 31 PRO HD2 H 1 3.620 0.030 . 2 . . . . 31 PRO HD2 . 10328 1 284 . 1 1 31 31 PRO HD3 H 1 3.684 0.030 . 2 . . . . 31 PRO HD3 . 10328 1 285 . 1 1 31 31 PRO HG2 H 1 1.932 0.030 . 2 . . . . 31 PRO HG2 . 10328 1 286 . 1 1 31 31 PRO HG3 H 1 2.030 0.030 . 2 . . . . 31 PRO HG3 . 10328 1 287 . 1 1 31 31 PRO C C 13 175.548 0.300 . 1 . . . . 31 PRO C . 10328 1 288 . 1 1 31 31 PRO CA C 13 62.973 0.300 . 1 . . . . 31 PRO CA . 10328 1 289 . 1 1 31 31 PRO CB C 13 32.036 0.300 . 1 . . . . 31 PRO CB . 10328 1 290 . 1 1 31 31 PRO CD C 13 50.409 0.300 . 1 . . . . 31 PRO CD . 10328 1 291 . 1 1 31 31 PRO CG C 13 27.420 0.300 . 1 . . . . 31 PRO CG . 10328 1 292 . 1 1 32 32 VAL H H 1 8.508 0.030 . 1 . . . . 32 VAL H . 10328 1 293 . 1 1 32 32 VAL HA H 1 4.515 0.030 . 1 . . . . 32 VAL HA . 10328 1 294 . 1 1 32 32 VAL HB H 1 1.739 0.030 . 1 . . . . 32 VAL HB . 10328 1 295 . 1 1 32 32 VAL HG11 H 1 0.297 0.030 . 1 . . . . 32 VAL HG1 . 10328 1 296 . 1 1 32 32 VAL HG12 H 1 0.297 0.030 . 1 . . . . 32 VAL HG1 . 10328 1 297 . 1 1 32 32 VAL HG13 H 1 0.297 0.030 . 1 . . . . 32 VAL HG1 . 10328 1 298 . 1 1 32 32 VAL HG21 H 1 0.736 0.030 . 1 . . . . 32 VAL HG2 . 10328 1 299 . 1 1 32 32 VAL HG22 H 1 0.736 0.030 . 1 . . . . 32 VAL HG2 . 10328 1 300 . 1 1 32 32 VAL HG23 H 1 0.736 0.030 . 1 . . . . 32 VAL HG2 . 10328 1 301 . 1 1 32 32 VAL C C 13 172.037 0.300 . 1 . . . . 32 VAL C . 10328 1 302 . 1 1 32 32 VAL CA C 13 60.001 0.300 . 1 . . . . 32 VAL CA . 10328 1 303 . 1 1 32 32 VAL CB C 13 35.630 0.300 . 1 . . . . 32 VAL CB . 10328 1 304 . 1 1 32 32 VAL CG1 C 13 19.528 0.300 . 2 . . . . 32 VAL CG1 . 10328 1 305 . 1 1 32 32 VAL CG2 C 13 21.496 0.300 . 2 . . . . 32 VAL CG2 . 10328 1 306 . 1 1 32 32 VAL N N 15 121.373 0.300 . 1 . . . . 32 VAL N . 10328 1 307 . 1 1 33 33 GLU H H 1 7.608 0.030 . 1 . . . . 33 GLU H . 10328 1 308 . 1 1 33 33 GLU HA H 1 5.927 0.030 . 1 . . . . 33 GLU HA . 10328 1 309 . 1 1 33 33 GLU HB2 H 1 1.801 0.030 . 1 . . . . 33 GLU HB2 . 10328 1 310 . 1 1 33 33 GLU HB3 H 1 1.801 0.030 . 1 . . . . 33 GLU HB3 . 10328 1 311 . 1 1 33 33 GLU HG2 H 1 2.076 0.030 . 1 . . . . 33 GLU HG2 . 10328 1 312 . 1 1 33 33 GLU HG3 H 1 2.076 0.030 . 1 . . . . 33 GLU HG3 . 10328 1 313 . 1 1 33 33 GLU C C 13 176.790 0.300 . 1 . . . . 33 GLU C . 10328 1 314 . 1 1 33 33 GLU CA C 13 53.494 0.300 . 1 . . . . 33 GLU CA . 10328 1 315 . 1 1 33 33 GLU CB C 13 34.415 0.300 . 1 . . . . 33 GLU CB . 10328 1 316 . 1 1 33 33 GLU CG C 13 35.883 0.300 . 1 . . . . 33 GLU CG . 10328 1 317 . 1 1 33 33 GLU N N 15 119.995 0.300 . 1 . . . . 33 GLU N . 10328 1 318 . 1 1 34 34 PHE H H 1 9.036 0.030 . 1 . . . . 34 PHE H . 10328 1 319 . 1 1 34 34 PHE HA H 1 5.196 0.030 . 1 . . . . 34 PHE HA . 10328 1 320 . 1 1 34 34 PHE HB2 H 1 2.469 0.030 . 2 . . . . 34 PHE HB2 . 10328 1 321 . 1 1 34 34 PHE HB3 H 1 3.138 0.030 . 2 . . . . 34 PHE HB3 . 10328 1 322 . 1 1 34 34 PHE HD1 H 1 6.783 0.030 . 1 . . . . 34 PHE HD1 . 10328 1 323 . 1 1 34 34 PHE HD2 H 1 6.783 0.030 . 1 . . . . 34 PHE HD2 . 10328 1 324 . 1 1 34 34 PHE HE1 H 1 6.894 0.030 . 1 . . . . 34 PHE HE1 . 10328 1 325 . 1 1 34 34 PHE HE2 H 1 6.894 0.030 . 1 . . . . 34 PHE HE2 . 10328 1 326 . 1 1 34 34 PHE HZ H 1 6.729 0.030 . 1 . . . . 34 PHE HZ . 10328 1 327 . 1 1 34 34 PHE C C 13 172.108 0.300 . 1 . . . . 34 PHE C . 10328 1 328 . 1 1 34 34 PHE CA C 13 56.996 0.300 . 1 . . . . 34 PHE CA . 10328 1 329 . 1 1 34 34 PHE CB C 13 41.112 0.300 . 1 . . . . 34 PHE CB . 10328 1 330 . 1 1 34 34 PHE CD1 C 13 132.492 0.300 . 1 . . . . 34 PHE CD1 . 10328 1 331 . 1 1 34 34 PHE CD2 C 13 132.492 0.300 . 1 . . . . 34 PHE CD2 . 10328 1 332 . 1 1 34 34 PHE CE1 C 13 130.201 0.300 . 1 . . . . 34 PHE CE1 . 10328 1 333 . 1 1 34 34 PHE CE2 C 13 130.201 0.300 . 1 . . . . 34 PHE CE2 . 10328 1 334 . 1 1 34 34 PHE CZ C 13 128.262 0.300 . 1 . . . . 34 PHE CZ . 10328 1 335 . 1 1 34 34 PHE N N 15 114.428 0.300 . 1 . . . . 34 PHE N . 10328 1 336 . 1 1 35 35 THR H H 1 9.454 0.030 . 1 . . . . 35 THR H . 10328 1 337 . 1 1 35 35 THR HA H 1 5.302 0.030 . 1 . . . . 35 THR HA . 10328 1 338 . 1 1 35 35 THR HB H 1 4.024 0.030 . 1 . . . . 35 THR HB . 10328 1 339 . 1 1 35 35 THR HG21 H 1 1.185 0.030 . 1 . . . . 35 THR HG2 . 10328 1 340 . 1 1 35 35 THR HG22 H 1 1.185 0.030 . 1 . . . . 35 THR HG2 . 10328 1 341 . 1 1 35 35 THR HG23 H 1 1.185 0.030 . 1 . . . . 35 THR HG2 . 10328 1 342 . 1 1 35 35 THR C C 13 173.975 0.300 . 1 . . . . 35 THR C . 10328 1 343 . 1 1 35 35 THR CA C 13 62.180 0.300 . 1 . . . . 35 THR CA . 10328 1 344 . 1 1 35 35 THR CB C 13 71.538 0.300 . 1 . . . . 35 THR CB . 10328 1 345 . 1 1 35 35 THR CG2 C 13 21.099 0.300 . 1 . . . . 35 THR CG2 . 10328 1 346 . 1 1 35 35 THR N N 15 116.899 0.300 . 1 . . . . 35 THR N . 10328 1 347 . 1 1 36 36 ILE H H 1 9.290 0.030 . 1 . . . . 36 ILE H . 10328 1 348 . 1 1 36 36 ILE HA H 1 4.748 0.030 . 1 . . . . 36 ILE HA . 10328 1 349 . 1 1 36 36 ILE HB H 1 1.899 0.030 . 1 . . . . 36 ILE HB . 10328 1 350 . 1 1 36 36 ILE HD11 H 1 0.913 0.030 . 1 . . . . 36 ILE HD1 . 10328 1 351 . 1 1 36 36 ILE HD12 H 1 0.913 0.030 . 1 . . . . 36 ILE HD1 . 10328 1 352 . 1 1 36 36 ILE HD13 H 1 0.913 0.030 . 1 . . . . 36 ILE HD1 . 10328 1 353 . 1 1 36 36 ILE HG12 H 1 1.254 0.030 . 2 . . . . 36 ILE HG12 . 10328 1 354 . 1 1 36 36 ILE HG13 H 1 1.557 0.030 . 2 . . . . 36 ILE HG13 . 10328 1 355 . 1 1 36 36 ILE HG21 H 1 0.775 0.030 . 1 . . . . 36 ILE HG2 . 10328 1 356 . 1 1 36 36 ILE HG22 H 1 0.775 0.030 . 1 . . . . 36 ILE HG2 . 10328 1 357 . 1 1 36 36 ILE HG23 H 1 0.775 0.030 . 1 . . . . 36 ILE HG2 . 10328 1 358 . 1 1 36 36 ILE C C 13 173.939 0.300 . 1 . . . . 36 ILE C . 10328 1 359 . 1 1 36 36 ILE CA C 13 59.188 0.300 . 1 . . . . 36 ILE CA . 10328 1 360 . 1 1 36 36 ILE CB C 13 39.412 0.300 . 1 . . . . 36 ILE CB . 10328 1 361 . 1 1 36 36 ILE CD1 C 13 14.541 0.300 . 1 . . . . 36 ILE CD1 . 10328 1 362 . 1 1 36 36 ILE CG1 C 13 27.048 0.300 . 1 . . . . 36 ILE CG1 . 10328 1 363 . 1 1 36 36 ILE CG2 C 13 17.734 0.300 . 1 . . . . 36 ILE CG2 . 10328 1 364 . 1 1 36 36 ILE N N 15 125.523 0.300 . 1 . . . . 36 ILE N . 10328 1 365 . 1 1 37 37 ASP H H 1 9.386 0.030 . 1 . . . . 37 ASP H . 10328 1 366 . 1 1 37 37 ASP HA H 1 4.885 0.030 . 1 . . . . 37 ASP HA . 10328 1 367 . 1 1 37 37 ASP HB2 H 1 3.074 0.030 . 2 . . . . 37 ASP HB2 . 10328 1 368 . 1 1 37 37 ASP HB3 H 1 2.529 0.030 . 2 . . . . 37 ASP HB3 . 10328 1 369 . 1 1 37 37 ASP C C 13 175.203 0.300 . 1 . . . . 37 ASP C . 10328 1 370 . 1 1 37 37 ASP CA C 13 52.962 0.300 . 1 . . . . 37 ASP CA . 10328 1 371 . 1 1 37 37 ASP CB C 13 41.917 0.300 . 1 . . . . 37 ASP CB . 10328 1 372 . 1 1 37 37 ASP N N 15 127.413 0.300 . 1 . . . . 37 ASP N . 10328 1 373 . 1 1 38 38 ALA H H 1 8.972 0.030 . 1 . . . . 38 ALA H . 10328 1 374 . 1 1 38 38 ALA HA H 1 4.560 0.030 . 1 . . . . 38 ALA HA . 10328 1 375 . 1 1 38 38 ALA HB1 H 1 1.198 0.030 . 1 . . . . 38 ALA HB . 10328 1 376 . 1 1 38 38 ALA HB2 H 1 1.198 0.030 . 1 . . . . 38 ALA HB . 10328 1 377 . 1 1 38 38 ALA HB3 H 1 1.198 0.030 . 1 . . . . 38 ALA HB . 10328 1 378 . 1 1 38 38 ALA C C 13 178.813 0.300 . 1 . . . . 38 ALA C . 10328 1 379 . 1 1 38 38 ALA CA C 13 50.605 0.300 . 1 . . . . 38 ALA CA . 10328 1 380 . 1 1 38 38 ALA CB C 13 19.390 0.300 . 1 . . . . 38 ALA CB . 10328 1 381 . 1 1 38 38 ALA N N 15 130.075 0.300 . 1 . . . . 38 ALA N . 10328 1 382 . 1 1 39 39 ARG H H 1 8.444 0.030 . 1 . . . . 39 ARG H . 10328 1 383 . 1 1 39 39 ARG HA H 1 3.956 0.030 . 1 . . . . 39 ARG HA . 10328 1 384 . 1 1 39 39 ARG HB2 H 1 1.921 0.030 . 2 . . . . 39 ARG HB2 . 10328 1 385 . 1 1 39 39 ARG HB3 H 1 1.841 0.030 . 2 . . . . 39 ARG HB3 . 10328 1 386 . 1 1 39 39 ARG HD2 H 1 3.164 0.030 . 2 . . . . 39 ARG HD2 . 10328 1 387 . 1 1 39 39 ARG HD3 H 1 3.248 0.030 . 2 . . . . 39 ARG HD3 . 10328 1 388 . 1 1 39 39 ARG HE H 1 7.691 0.030 . 1 . . . . 39 ARG HE . 10328 1 389 . 1 1 39 39 ARG HG2 H 1 2.186 0.030 . 2 . . . . 39 ARG HG2 . 10328 1 390 . 1 1 39 39 ARG HG3 H 1 1.748 0.030 . 2 . . . . 39 ARG HG3 . 10328 1 391 . 1 1 39 39 ARG C C 13 178.008 0.300 . 1 . . . . 39 ARG C . 10328 1 392 . 1 1 39 39 ARG CA C 13 60.921 0.300 . 1 . . . . 39 ARG CA . 10328 1 393 . 1 1 39 39 ARG CB C 13 30.839 0.300 . 1 . . . . 39 ARG CB . 10328 1 394 . 1 1 39 39 ARG CD C 13 43.781 0.300 . 1 . . . . 39 ARG CD . 10328 1 395 . 1 1 39 39 ARG CG C 13 28.037 0.300 . 1 . . . . 39 ARG CG . 10328 1 396 . 1 1 39 39 ARG N N 15 122.134 0.300 . 1 . . . . 39 ARG N . 10328 1 397 . 1 1 39 39 ARG NE N 15 84.562 0.300 . 1 . . . . 39 ARG NE . 10328 1 398 . 1 1 40 40 ASP H H 1 8.853 0.030 . 1 . . . . 40 ASP H . 10328 1 399 . 1 1 40 40 ASP HA H 1 5.001 0.030 . 1 . . . . 40 ASP HA . 10328 1 400 . 1 1 40 40 ASP HB2 H 1 2.373 0.030 . 2 . . . . 40 ASP HB2 . 10328 1 401 . 1 1 40 40 ASP HB3 H 1 2.945 0.030 . 2 . . . . 40 ASP HB3 . 10328 1 402 . 1 1 40 40 ASP C C 13 175.794 0.300 . 1 . . . . 40 ASP C . 10328 1 403 . 1 1 40 40 ASP CA C 13 53.974 0.300 . 1 . . . . 40 ASP CA . 10328 1 404 . 1 1 40 40 ASP CB C 13 41.832 0.300 . 1 . . . . 40 ASP CB . 10328 1 405 . 1 1 40 40 ASP N N 15 116.184 0.300 . 1 . . . . 40 ASP N . 10328 1 406 . 1 1 41 41 ALA H H 1 7.390 0.030 . 1 . . . . 41 ALA H . 10328 1 407 . 1 1 41 41 ALA HA H 1 4.409 0.030 . 1 . . . . 41 ALA HA . 10328 1 408 . 1 1 41 41 ALA HB1 H 1 1.078 0.030 . 1 . . . . 41 ALA HB . 10328 1 409 . 1 1 41 41 ALA HB2 H 1 1.078 0.030 . 1 . . . . 41 ALA HB . 10328 1 410 . 1 1 41 41 ALA HB3 H 1 1.078 0.030 . 1 . . . . 41 ALA HB . 10328 1 411 . 1 1 41 41 ALA C C 13 176.773 0.300 . 1 . . . . 41 ALA C . 10328 1 412 . 1 1 41 41 ALA CA C 13 52.255 0.300 . 1 . . . . 41 ALA CA . 10328 1 413 . 1 1 41 41 ALA CB C 13 23.544 0.300 . 1 . . . . 41 ALA CB . 10328 1 414 . 1 1 41 41 ALA N N 15 121.345 0.300 . 1 . . . . 41 ALA N . 10328 1 415 . 1 1 42 42 GLY H H 1 8.521 0.030 . 1 . . . . 42 GLY H . 10328 1 416 . 1 1 42 42 GLY HA2 H 1 3.826 0.030 . 2 . . . . 42 GLY HA2 . 10328 1 417 . 1 1 42 42 GLY HA3 H 1 4.365 0.030 . 2 . . . . 42 GLY HA3 . 10328 1 418 . 1 1 42 42 GLY C C 13 174.647 0.300 . 1 . . . . 42 GLY C . 10328 1 419 . 1 1 42 42 GLY CA C 13 45.038 0.300 . 1 . . . . 42 GLY CA . 10328 1 420 . 1 1 42 42 GLY N N 15 108.284 0.300 . 1 . . . . 42 GLY N . 10328 1 421 . 1 1 43 43 GLU H H 1 8.607 0.030 . 1 . . . . 43 GLU H . 10328 1 422 . 1 1 43 43 GLU HA H 1 4.612 0.030 . 1 . . . . 43 GLU HA . 10328 1 423 . 1 1 43 43 GLU HB2 H 1 1.945 0.030 . 1 . . . . 43 GLU HB2 . 10328 1 424 . 1 1 43 43 GLU HB3 H 1 1.945 0.030 . 1 . . . . 43 GLU HB3 . 10328 1 425 . 1 1 43 43 GLU HG2 H 1 2.245 0.030 . 2 . . . . 43 GLU HG2 . 10328 1 426 . 1 1 43 43 GLU HG3 H 1 2.154 0.030 . 2 . . . . 43 GLU HG3 . 10328 1 427 . 1 1 43 43 GLU C C 13 174.206 0.300 . 1 . . . . 43 GLU C . 10328 1 428 . 1 1 43 43 GLU CA C 13 56.252 0.300 . 1 . . . . 43 GLU CA . 10328 1 429 . 1 1 43 43 GLU CB C 13 31.310 0.300 . 1 . . . . 43 GLU CB . 10328 1 430 . 1 1 43 43 GLU CG C 13 36.115 0.300 . 1 . . . . 43 GLU CG . 10328 1 431 . 1 1 43 43 GLU N N 15 124.292 0.300 . 1 . . . . 43 GLU N . 10328 1 432 . 1 1 44 44 GLY H H 1 7.550 0.030 . 1 . . . . 44 GLY H . 10328 1 433 . 1 1 44 44 GLY HA2 H 1 2.430 0.030 . 2 . . . . 44 GLY HA2 . 10328 1 434 . 1 1 44 44 GLY HA3 H 1 3.809 0.030 . 2 . . . . 44 GLY HA3 . 10328 1 435 . 1 1 44 44 GLY C C 13 169.881 0.300 . 1 . . . . 44 GLY C . 10328 1 436 . 1 1 44 44 GLY CA C 13 44.082 0.300 . 1 . . . . 44 GLY CA . 10328 1 437 . 1 1 44 44 GLY N N 15 110.597 0.300 . 1 . . . . 44 GLY N . 10328 1 438 . 1 1 45 45 LEU H H 1 7.573 0.030 . 1 . . . . 45 LEU H . 10328 1 439 . 1 1 45 45 LEU HA H 1 4.299 0.030 . 1 . . . . 45 LEU HA . 10328 1 440 . 1 1 45 45 LEU HB2 H 1 1.319 0.030 . 1 . . . . 45 LEU HB2 . 10328 1 441 . 1 1 45 45 LEU HB3 H 1 1.319 0.030 . 1 . . . . 45 LEU HB3 . 10328 1 442 . 1 1 45 45 LEU HD11 H 1 0.746 0.030 . 1 . . . . 45 LEU HD1 . 10328 1 443 . 1 1 45 45 LEU HD12 H 1 0.746 0.030 . 1 . . . . 45 LEU HD1 . 10328 1 444 . 1 1 45 45 LEU HD13 H 1 0.746 0.030 . 1 . . . . 45 LEU HD1 . 10328 1 445 . 1 1 45 45 LEU HD21 H 1 0.834 0.030 . 1 . . . . 45 LEU HD2 . 10328 1 446 . 1 1 45 45 LEU HD22 H 1 0.834 0.030 . 1 . . . . 45 LEU HD2 . 10328 1 447 . 1 1 45 45 LEU HD23 H 1 0.834 0.030 . 1 . . . . 45 LEU HD2 . 10328 1 448 . 1 1 45 45 LEU HG H 1 1.268 0.030 . 1 . . . . 45 LEU HG . 10328 1 449 . 1 1 45 45 LEU C C 13 177.178 0.300 . 1 . . . . 45 LEU C . 10328 1 450 . 1 1 45 45 LEU CA C 13 54.003 0.300 . 1 . . . . 45 LEU CA . 10328 1 451 . 1 1 45 45 LEU CB C 13 42.822 0.300 . 1 . . . . 45 LEU CB . 10328 1 452 . 1 1 45 45 LEU CD1 C 13 24.588 0.300 . 2 . . . . 45 LEU CD1 . 10328 1 453 . 1 1 45 45 LEU CD2 C 13 23.850 0.300 . 2 . . . . 45 LEU CD2 . 10328 1 454 . 1 1 45 45 LEU CG C 13 26.739 0.300 . 1 . . . . 45 LEU CG . 10328 1 455 . 1 1 45 45 LEU N N 15 117.544 0.300 . 1 . . . . 45 LEU N . 10328 1 456 . 1 1 46 46 LEU H H 1 8.866 0.030 . 1 . . . . 46 LEU H . 10328 1 457 . 1 1 46 46 LEU HA H 1 5.037 0.030 . 1 . . . . 46 LEU HA . 10328 1 458 . 1 1 46 46 LEU HB2 H 1 0.903 0.030 . 2 . . . . 46 LEU HB2 . 10328 1 459 . 1 1 46 46 LEU HB3 H 1 1.534 0.030 . 2 . . . . 46 LEU HB3 . 10328 1 460 . 1 1 46 46 LEU HD11 H 1 0.806 0.030 . 1 . . . . 46 LEU HD1 . 10328 1 461 . 1 1 46 46 LEU HD12 H 1 0.806 0.030 . 1 . . . . 46 LEU HD1 . 10328 1 462 . 1 1 46 46 LEU HD13 H 1 0.806 0.030 . 1 . . . . 46 LEU HD1 . 10328 1 463 . 1 1 46 46 LEU HD21 H 1 0.112 0.030 . 1 . . . . 46 LEU HD2 . 10328 1 464 . 1 1 46 46 LEU HD22 H 1 0.112 0.030 . 1 . . . . 46 LEU HD2 . 10328 1 465 . 1 1 46 46 LEU HD23 H 1 0.112 0.030 . 1 . . . . 46 LEU HD2 . 10328 1 466 . 1 1 46 46 LEU HG H 1 1.090 0.030 . 1 . . . . 46 LEU HG . 10328 1 467 . 1 1 46 46 LEU C C 13 175.820 0.300 . 1 . . . . 46 LEU C . 10328 1 468 . 1 1 46 46 LEU CA C 13 54.200 0.300 . 1 . . . . 46 LEU CA . 10328 1 469 . 1 1 46 46 LEU CB C 13 43.259 0.300 . 1 . . . . 46 LEU CB . 10328 1 470 . 1 1 46 46 LEU CD1 C 13 23.920 0.300 . 2 . . . . 46 LEU CD1 . 10328 1 471 . 1 1 46 46 LEU CD2 C 13 25.481 0.300 . 2 . . . . 46 LEU CD2 . 10328 1 472 . 1 1 46 46 LEU CG C 13 27.195 0.300 . 1 . . . . 46 LEU CG . 10328 1 473 . 1 1 46 46 LEU N N 15 132.093 0.300 . 1 . . . . 46 LEU N . 10328 1 474 . 1 1 47 47 THR H H 1 9.016 0.030 . 1 . . . . 47 THR H . 10328 1 475 . 1 1 47 47 THR HA H 1 4.567 0.030 . 1 . . . . 47 THR HA . 10328 1 476 . 1 1 47 47 THR HB H 1 3.983 0.030 . 1 . . . . 47 THR HB . 10328 1 477 . 1 1 47 47 THR HG21 H 1 0.990 0.030 . 1 . . . . 47 THR HG2 . 10328 1 478 . 1 1 47 47 THR HG22 H 1 0.990 0.030 . 1 . . . . 47 THR HG2 . 10328 1 479 . 1 1 47 47 THR HG23 H 1 0.990 0.030 . 1 . . . . 47 THR HG2 . 10328 1 480 . 1 1 47 47 THR C C 13 172.807 0.300 . 1 . . . . 47 THR C . 10328 1 481 . 1 1 47 47 THR CA C 13 60.098 0.300 . 1 . . . . 47 THR CA . 10328 1 482 . 1 1 47 47 THR CB C 13 71.726 0.300 . 1 . . . . 47 THR CB . 10328 1 483 . 1 1 47 47 THR CG2 C 13 21.770 0.300 . 1 . . . . 47 THR CG2 . 10328 1 484 . 1 1 47 47 THR N N 15 118.374 0.300 . 1 . . . . 47 THR N . 10328 1 485 . 1 1 48 48 VAL H H 1 8.555 0.030 . 1 . . . . 48 VAL H . 10328 1 486 . 1 1 48 48 VAL HA H 1 4.680 0.030 . 1 . . . . 48 VAL HA . 10328 1 487 . 1 1 48 48 VAL HB H 1 1.775 0.030 . 1 . . . . 48 VAL HB . 10328 1 488 . 1 1 48 48 VAL HG11 H 1 0.746 0.030 . 1 . . . . 48 VAL HG1 . 10328 1 489 . 1 1 48 48 VAL HG12 H 1 0.746 0.030 . 1 . . . . 48 VAL HG1 . 10328 1 490 . 1 1 48 48 VAL HG13 H 1 0.746 0.030 . 1 . . . . 48 VAL HG1 . 10328 1 491 . 1 1 48 48 VAL HG21 H 1 0.800 0.030 . 1 . . . . 48 VAL HG2 . 10328 1 492 . 1 1 48 48 VAL HG22 H 1 0.800 0.030 . 1 . . . . 48 VAL HG2 . 10328 1 493 . 1 1 48 48 VAL HG23 H 1 0.800 0.030 . 1 . . . . 48 VAL HG2 . 10328 1 494 . 1 1 48 48 VAL C C 13 173.941 0.300 . 1 . . . . 48 VAL C . 10328 1 495 . 1 1 48 48 VAL CA C 13 61.016 0.300 . 1 . . . . 48 VAL CA . 10328 1 496 . 1 1 48 48 VAL CB C 13 35.260 0.300 . 1 . . . . 48 VAL CB . 10328 1 497 . 1 1 48 48 VAL CG1 C 13 21.312 0.300 . 2 . . . . 48 VAL CG1 . 10328 1 498 . 1 1 48 48 VAL CG2 C 13 21.216 0.300 . 2 . . . . 48 VAL CG2 . 10328 1 499 . 1 1 48 48 VAL N N 15 122.159 0.300 . 1 . . . . 48 VAL N . 10328 1 500 . 1 1 49 49 GLN H H 1 8.917 0.030 . 1 . . . . 49 GLN H . 10328 1 501 . 1 1 49 49 GLN HA H 1 4.719 0.030 . 1 . . . . 49 GLN HA . 10328 1 502 . 1 1 49 49 GLN HB2 H 1 1.887 0.030 . 2 . . . . 49 GLN HB2 . 10328 1 503 . 1 1 49 49 GLN HB3 H 1 2.011 0.030 . 2 . . . . 49 GLN HB3 . 10328 1 504 . 1 1 49 49 GLN HE21 H 1 7.564 0.030 . 2 . . . . 49 GLN HE21 . 10328 1 505 . 1 1 49 49 GLN HE22 H 1 6.893 0.030 . 2 . . . . 49 GLN HE22 . 10328 1 506 . 1 1 49 49 GLN HG2 H 1 2.225 0.030 . 2 . . . . 49 GLN HG2 . 10328 1 507 . 1 1 49 49 GLN HG3 H 1 2.077 0.030 . 2 . . . . 49 GLN HG3 . 10328 1 508 . 1 1 49 49 GLN C C 13 173.872 0.300 . 1 . . . . 49 GLN C . 10328 1 509 . 1 1 49 49 GLN CA C 13 54.338 0.300 . 1 . . . . 49 GLN CA . 10328 1 510 . 1 1 49 49 GLN CB C 13 32.577 0.300 . 1 . . . . 49 GLN CB . 10328 1 511 . 1 1 49 49 GLN CG C 13 34.436 0.300 . 1 . . . . 49 GLN CG . 10328 1 512 . 1 1 49 49 GLN N N 15 126.925 0.300 . 1 . . . . 49 GLN N . 10328 1 513 . 1 1 49 49 GLN NE2 N 15 112.274 0.300 . 1 . . . . 49 GLN NE2 . 10328 1 514 . 1 1 50 50 ILE H H 1 9.272 0.030 . 1 . . . . 50 ILE H . 10328 1 515 . 1 1 50 50 ILE HA H 1 4.794 0.030 . 1 . . . . 50 ILE HA . 10328 1 516 . 1 1 50 50 ILE HB H 1 1.925 0.030 . 1 . . . . 50 ILE HB . 10328 1 517 . 1 1 50 50 ILE HD11 H 1 0.166 0.030 . 1 . . . . 50 ILE HD1 . 10328 1 518 . 1 1 50 50 ILE HD12 H 1 0.166 0.030 . 1 . . . . 50 ILE HD1 . 10328 1 519 . 1 1 50 50 ILE HD13 H 1 0.166 0.030 . 1 . . . . 50 ILE HD1 . 10328 1 520 . 1 1 50 50 ILE HG12 H 1 0.665 0.030 . 2 . . . . 50 ILE HG12 . 10328 1 521 . 1 1 50 50 ILE HG13 H 1 1.373 0.030 . 2 . . . . 50 ILE HG13 . 10328 1 522 . 1 1 50 50 ILE HG21 H 1 0.519 0.030 . 1 . . . . 50 ILE HG2 . 10328 1 523 . 1 1 50 50 ILE HG22 H 1 0.519 0.030 . 1 . . . . 50 ILE HG2 . 10328 1 524 . 1 1 50 50 ILE HG23 H 1 0.519 0.030 . 1 . . . . 50 ILE HG2 . 10328 1 525 . 1 1 50 50 ILE C C 13 174.554 0.300 . 1 . . . . 50 ILE C . 10328 1 526 . 1 1 50 50 ILE CA C 13 60.638 0.300 . 1 . . . . 50 ILE CA . 10328 1 527 . 1 1 50 50 ILE CB C 13 39.337 0.300 . 1 . . . . 50 ILE CB . 10328 1 528 . 1 1 50 50 ILE CD1 C 13 13.561 0.300 . 1 . . . . 50 ILE CD1 . 10328 1 529 . 1 1 50 50 ILE CG1 C 13 27.146 0.300 . 1 . . . . 50 ILE CG1 . 10328 1 530 . 1 1 50 50 ILE CG2 C 13 16.726 0.300 . 1 . . . . 50 ILE CG2 . 10328 1 531 . 1 1 50 50 ILE N N 15 126.953 0.300 . 1 . . . . 50 ILE N . 10328 1 532 . 1 1 51 51 LEU H H 1 8.931 0.030 . 1 . . . . 51 LEU H . 10328 1 533 . 1 1 51 51 LEU HA H 1 4.900 0.030 . 1 . . . . 51 LEU HA . 10328 1 534 . 1 1 51 51 LEU HB2 H 1 1.163 0.030 . 2 . . . . 51 LEU HB2 . 10328 1 535 . 1 1 51 51 LEU HB3 H 1 1.693 0.030 . 2 . . . . 51 LEU HB3 . 10328 1 536 . 1 1 51 51 LEU HD11 H 1 0.777 0.030 . 1 . . . . 51 LEU HD1 . 10328 1 537 . 1 1 51 51 LEU HD12 H 1 0.777 0.030 . 1 . . . . 51 LEU HD1 . 10328 1 538 . 1 1 51 51 LEU HD13 H 1 0.777 0.030 . 1 . . . . 51 LEU HD1 . 10328 1 539 . 1 1 51 51 LEU HD21 H 1 0.631 0.030 . 1 . . . . 51 LEU HD2 . 10328 1 540 . 1 1 51 51 LEU HD22 H 1 0.631 0.030 . 1 . . . . 51 LEU HD2 . 10328 1 541 . 1 1 51 51 LEU HD23 H 1 0.631 0.030 . 1 . . . . 51 LEU HD2 . 10328 1 542 . 1 1 51 51 LEU HG H 1 1.477 0.030 . 1 . . . . 51 LEU HG . 10328 1 543 . 1 1 51 51 LEU C C 13 175.864 0.300 . 1 . . . . 51 LEU C . 10328 1 544 . 1 1 51 51 LEU CA C 13 52.856 0.300 . 1 . . . . 51 LEU CA . 10328 1 545 . 1 1 51 51 LEU CB C 13 44.563 0.300 . 1 . . . . 51 LEU CB . 10328 1 546 . 1 1 51 51 LEU CD1 C 13 25.293 0.300 . 2 . . . . 51 LEU CD1 . 10328 1 547 . 1 1 51 51 LEU CD2 C 13 22.290 0.300 . 2 . . . . 51 LEU CD2 . 10328 1 548 . 1 1 51 51 LEU CG C 13 26.834 0.300 . 1 . . . . 51 LEU CG . 10328 1 549 . 1 1 51 51 LEU N N 15 127.332 0.300 . 1 . . . . 51 LEU N . 10328 1 550 . 1 1 52 52 ASP H H 1 9.011 0.030 . 1 . . . . 52 ASP H . 10328 1 551 . 1 1 52 52 ASP HA H 1 3.978 0.030 . 1 . . . . 52 ASP HA . 10328 1 552 . 1 1 52 52 ASP HB2 H 1 3.076 0.030 . 2 . . . . 52 ASP HB2 . 10328 1 553 . 1 1 52 52 ASP HB3 H 1 2.470 0.030 . 2 . . . . 52 ASP HB3 . 10328 1 554 . 1 1 52 52 ASP C C 13 175.774 0.300 . 1 . . . . 52 ASP C . 10328 1 555 . 1 1 52 52 ASP CA C 13 52.170 0.300 . 1 . . . . 52 ASP CA . 10328 1 556 . 1 1 52 52 ASP CB C 13 40.896 0.300 . 1 . . . . 52 ASP CB . 10328 1 557 . 1 1 52 52 ASP N N 15 124.999 0.300 . 1 . . . . 52 ASP N . 10328 1 558 . 1 1 53 53 PRO HA H 1 4.477 0.030 . 1 . . . . 53 PRO HA . 10328 1 559 . 1 1 53 53 PRO HB2 H 1 1.670 0.030 . 2 . . . . 53 PRO HB2 . 10328 1 560 . 1 1 53 53 PRO HB3 H 1 2.482 0.030 . 2 . . . . 53 PRO HB3 . 10328 1 561 . 1 1 53 53 PRO HD2 H 1 1.988 0.030 . 2 . . . . 53 PRO HD2 . 10328 1 562 . 1 1 53 53 PRO HD3 H 1 3.208 0.030 . 2 . . . . 53 PRO HD3 . 10328 1 563 . 1 1 53 53 PRO HG2 H 1 1.557 0.030 . 2 . . . . 53 PRO HG2 . 10328 1 564 . 1 1 53 53 PRO HG3 H 1 1.208 0.030 . 2 . . . . 53 PRO HG3 . 10328 1 565 . 1 1 53 53 PRO C C 13 178.389 0.300 . 1 . . . . 53 PRO C . 10328 1 566 . 1 1 53 53 PRO CA C 13 65.123 0.300 . 1 . . . . 53 PRO CA . 10328 1 567 . 1 1 53 53 PRO CB C 13 32.441 0.300 . 1 . . . . 53 PRO CB . 10328 1 568 . 1 1 53 53 PRO CD C 13 50.608 0.300 . 1 . . . . 53 PRO CD . 10328 1 569 . 1 1 53 53 PRO CG C 13 27.153 0.300 . 1 . . . . 53 PRO CG . 10328 1 570 . 1 1 54 54 GLU H H 1 8.170 0.030 . 1 . . . . 54 GLU H . 10328 1 571 . 1 1 54 54 GLU HA H 1 4.396 0.030 . 1 . . . . 54 GLU HA . 10328 1 572 . 1 1 54 54 GLU HB2 H 1 1.962 0.030 . 2 . . . . 54 GLU HB2 . 10328 1 573 . 1 1 54 54 GLU HB3 H 1 2.181 0.030 . 2 . . . . 54 GLU HB3 . 10328 1 574 . 1 1 54 54 GLU HG2 H 1 2.184 0.030 . 2 . . . . 54 GLU HG2 . 10328 1 575 . 1 1 54 54 GLU HG3 H 1 2.148 0.030 . 2 . . . . 54 GLU HG3 . 10328 1 576 . 1 1 54 54 GLU C C 13 176.553 0.300 . 1 . . . . 54 GLU C . 10328 1 577 . 1 1 54 54 GLU CA C 13 55.066 0.300 . 1 . . . . 54 GLU CA . 10328 1 578 . 1 1 54 54 GLU CB C 13 30.407 0.300 . 1 . . . . 54 GLU CB . 10328 1 579 . 1 1 54 54 GLU CG C 13 36.865 0.300 . 1 . . . . 54 GLU CG . 10328 1 580 . 1 1 54 54 GLU N N 15 115.327 0.300 . 1 . . . . 54 GLU N . 10328 1 581 . 1 1 55 55 GLY H H 1 8.684 0.030 . 1 . . . . 55 GLY H . 10328 1 582 . 1 1 55 55 GLY HA2 H 1 3.552 0.030 . 2 . . . . 55 GLY HA2 . 10328 1 583 . 1 1 55 55 GLY HA3 H 1 4.119 0.030 . 2 . . . . 55 GLY HA3 . 10328 1 584 . 1 1 55 55 GLY C C 13 173.829 0.300 . 1 . . . . 55 GLY C . 10328 1 585 . 1 1 55 55 GLY CA C 13 45.751 0.300 . 1 . . . . 55 GLY CA . 10328 1 586 . 1 1 55 55 GLY N N 15 109.937 0.300 . 1 . . . . 55 GLY N . 10328 1 587 . 1 1 56 56 LYS H H 1 8.321 0.030 . 1 . . . . 56 LYS H . 10328 1 588 . 1 1 56 56 LYS HA H 1 4.727 0.030 . 1 . . . . 56 LYS HA . 10328 1 589 . 1 1 56 56 LYS HB2 H 1 2.011 0.030 . 2 . . . . 56 LYS HB2 . 10328 1 590 . 1 1 56 56 LYS HB3 H 1 1.716 0.030 . 2 . . . . 56 LYS HB3 . 10328 1 591 . 1 1 56 56 LYS HD2 H 1 1.704 0.030 . 1 . . . . 56 LYS HD2 . 10328 1 592 . 1 1 56 56 LYS HD3 H 1 1.704 0.030 . 1 . . . . 56 LYS HD3 . 10328 1 593 . 1 1 56 56 LYS HE2 H 1 2.991 0.030 . 1 . . . . 56 LYS HE2 . 10328 1 594 . 1 1 56 56 LYS HE3 H 1 2.991 0.030 . 1 . . . . 56 LYS HE3 . 10328 1 595 . 1 1 56 56 LYS HG2 H 1 1.384 0.030 . 1 . . . . 56 LYS HG2 . 10328 1 596 . 1 1 56 56 LYS HG3 H 1 1.384 0.030 . 1 . . . . 56 LYS HG3 . 10328 1 597 . 1 1 56 56 LYS C C 13 174.681 0.300 . 1 . . . . 56 LYS C . 10328 1 598 . 1 1 56 56 LYS CA C 13 53.280 0.300 . 1 . . . . 56 LYS CA . 10328 1 599 . 1 1 56 56 LYS CB C 13 31.347 0.300 . 1 . . . . 56 LYS CB . 10328 1 600 . 1 1 56 56 LYS CD C 13 28.675 0.300 . 1 . . . . 56 LYS CD . 10328 1 601 . 1 1 56 56 LYS CE C 13 41.745 0.300 . 1 . . . . 56 LYS CE . 10328 1 602 . 1 1 56 56 LYS CG C 13 24.459 0.300 . 1 . . . . 56 LYS CG . 10328 1 603 . 1 1 56 56 LYS N N 15 121.962 0.300 . 1 . . . . 56 LYS N . 10328 1 604 . 1 1 57 57 PRO HA H 1 4.988 0.030 . 1 . . . . 57 PRO HA . 10328 1 605 . 1 1 57 57 PRO HB2 H 1 1.877 0.030 . 2 . . . . 57 PRO HB2 . 10328 1 606 . 1 1 57 57 PRO HB3 H 1 2.253 0.030 . 2 . . . . 57 PRO HB3 . 10328 1 607 . 1 1 57 57 PRO HD2 H 1 3.861 0.030 . 2 . . . . 57 PRO HD2 . 10328 1 608 . 1 1 57 57 PRO HD3 H 1 3.651 0.030 . 2 . . . . 57 PRO HD3 . 10328 1 609 . 1 1 57 57 PRO HG2 H 1 2.143 0.030 . 2 . . . . 57 PRO HG2 . 10328 1 610 . 1 1 57 57 PRO HG3 H 1 1.951 0.030 . 2 . . . . 57 PRO HG3 . 10328 1 611 . 1 1 57 57 PRO C C 13 177.364 0.300 . 1 . . . . 57 PRO C . 10328 1 612 . 1 1 57 57 PRO CA C 13 62.900 0.300 . 1 . . . . 57 PRO CA . 10328 1 613 . 1 1 57 57 PRO CB C 13 32.288 0.300 . 1 . . . . 57 PRO CB . 10328 1 614 . 1 1 57 57 PRO CD C 13 50.458 0.300 . 1 . . . . 57 PRO CD . 10328 1 615 . 1 1 57 57 PRO CG C 13 27.815 0.300 . 1 . . . . 57 PRO CG . 10328 1 616 . 1 1 58 58 LYS H H 1 8.694 0.030 . 1 . . . . 58 LYS H . 10328 1 617 . 1 1 58 58 LYS HA H 1 4.751 0.030 . 1 . . . . 58 LYS HA . 10328 1 618 . 1 1 58 58 LYS HB2 H 1 1.640 0.030 . 2 . . . . 58 LYS HB2 . 10328 1 619 . 1 1 58 58 LYS HB3 H 1 1.849 0.030 . 2 . . . . 58 LYS HB3 . 10328 1 620 . 1 1 58 58 LYS HD2 H 1 2.047 0.030 . 2 . . . . 58 LYS HD2 . 10328 1 621 . 1 1 58 58 LYS HD3 H 1 2.134 0.030 . 2 . . . . 58 LYS HD3 . 10328 1 622 . 1 1 58 58 LYS HE2 H 1 3.353 0.030 . 2 . . . . 58 LYS HE2 . 10328 1 623 . 1 1 58 58 LYS HE3 H 1 3.413 0.030 . 2 . . . . 58 LYS HE3 . 10328 1 624 . 1 1 58 58 LYS HG2 H 1 1.637 0.030 . 1 . . . . 58 LYS HG2 . 10328 1 625 . 1 1 58 58 LYS HG3 H 1 1.637 0.030 . 1 . . . . 58 LYS HG3 . 10328 1 626 . 1 1 58 58 LYS C C 13 175.316 0.300 . 1 . . . . 58 LYS C . 10328 1 627 . 1 1 58 58 LYS CA C 13 52.644 0.300 . 1 . . . . 58 LYS CA . 10328 1 628 . 1 1 58 58 LYS CB C 13 33.807 0.300 . 1 . . . . 58 LYS CB . 10328 1 629 . 1 1 58 58 LYS CD C 13 28.119 0.300 . 1 . . . . 58 LYS CD . 10328 1 630 . 1 1 58 58 LYS CE C 13 42.097 0.300 . 1 . . . . 58 LYS CE . 10328 1 631 . 1 1 58 58 LYS CG C 13 24.258 0.300 . 1 . . . . 58 LYS CG . 10328 1 632 . 1 1 58 58 LYS N N 15 124.095 0.300 . 1 . . . . 58 LYS N . 10328 1 633 . 1 1 59 59 LYS H H 1 8.625 0.030 . 1 . . . . 59 LYS H . 10328 1 634 . 1 1 59 59 LYS HA H 1 4.163 0.030 . 1 . . . . 59 LYS HA . 10328 1 635 . 1 1 59 59 LYS HB2 H 1 1.800 0.030 . 1 . . . . 59 LYS HB2 . 10328 1 636 . 1 1 59 59 LYS HB3 H 1 1.800 0.030 . 1 . . . . 59 LYS HB3 . 10328 1 637 . 1 1 59 59 LYS HD2 H 1 1.723 0.030 . 1 . . . . 59 LYS HD2 . 10328 1 638 . 1 1 59 59 LYS HD3 H 1 1.723 0.030 . 1 . . . . 59 LYS HD3 . 10328 1 639 . 1 1 59 59 LYS HE2 H 1 3.022 0.030 . 1 . . . . 59 LYS HE2 . 10328 1 640 . 1 1 59 59 LYS HE3 H 1 3.022 0.030 . 1 . . . . 59 LYS HE3 . 10328 1 641 . 1 1 59 59 LYS HG2 H 1 1.396 0.030 . 1 . . . . 59 LYS HG2 . 10328 1 642 . 1 1 59 59 LYS HG3 H 1 1.396 0.030 . 1 . . . . 59 LYS HG3 . 10328 1 643 . 1 1 59 59 LYS C C 13 175.012 0.300 . 1 . . . . 59 LYS C . 10328 1 644 . 1 1 59 59 LYS CA C 13 57.313 0.300 . 1 . . . . 59 LYS CA . 10328 1 645 . 1 1 59 59 LYS CB C 13 32.938 0.300 . 1 . . . . 59 LYS CB . 10328 1 646 . 1 1 59 59 LYS CD C 13 29.192 0.300 . 1 . . . . 59 LYS CD . 10328 1 647 . 1 1 59 59 LYS CE C 13 42.215 0.300 . 1 . . . . 59 LYS CE . 10328 1 648 . 1 1 59 59 LYS CG C 13 24.822 0.300 . 1 . . . . 59 LYS CG . 10328 1 649 . 1 1 59 59 LYS N N 15 125.224 0.300 . 1 . . . . 59 LYS N . 10328 1 650 . 1 1 60 60 ALA H H 1 8.479 0.030 . 1 . . . . 60 ALA H . 10328 1 651 . 1 1 60 60 ALA HA H 1 4.814 0.030 . 1 . . . . 60 ALA HA . 10328 1 652 . 1 1 60 60 ALA HB1 H 1 1.128 0.030 . 1 . . . . 60 ALA HB . 10328 1 653 . 1 1 60 60 ALA HB2 H 1 1.128 0.030 . 1 . . . . 60 ALA HB . 10328 1 654 . 1 1 60 60 ALA HB3 H 1 1.128 0.030 . 1 . . . . 60 ALA HB . 10328 1 655 . 1 1 60 60 ALA C C 13 176.058 0.300 . 1 . . . . 60 ALA C . 10328 1 656 . 1 1 60 60 ALA CA C 13 50.097 0.300 . 1 . . . . 60 ALA CA . 10328 1 657 . 1 1 60 60 ALA CB C 13 20.154 0.300 . 1 . . . . 60 ALA CB . 10328 1 658 . 1 1 60 60 ALA N N 15 127.512 0.300 . 1 . . . . 60 ALA N . 10328 1 659 . 1 1 61 61 ASN H H 1 8.798 0.030 . 1 . . . . 61 ASN H . 10328 1 660 . 1 1 61 61 ASN HA H 1 4.884 0.030 . 1 . . . . 61 ASN HA . 10328 1 661 . 1 1 61 61 ASN HB2 H 1 2.787 0.030 . 2 . . . . 61 ASN HB2 . 10328 1 662 . 1 1 61 61 ASN HB3 H 1 2.737 0.030 . 2 . . . . 61 ASN HB3 . 10328 1 663 . 1 1 61 61 ASN HD21 H 1 6.927 0.030 . 2 . . . . 61 ASN HD21 . 10328 1 664 . 1 1 61 61 ASN HD22 H 1 7.336 0.030 . 2 . . . . 61 ASN HD22 . 10328 1 665 . 1 1 61 61 ASN C C 13 174.108 0.300 . 1 . . . . 61 ASN C . 10328 1 666 . 1 1 61 61 ASN CA C 13 52.856 0.300 . 1 . . . . 61 ASN CA . 10328 1 667 . 1 1 61 61 ASN CB C 13 39.746 0.300 . 1 . . . . 61 ASN CB . 10328 1 668 . 1 1 61 61 ASN N N 15 121.752 0.300 . 1 . . . . 61 ASN N . 10328 1 669 . 1 1 61 61 ASN ND2 N 15 113.958 0.300 . 1 . . . . 61 ASN ND2 . 10328 1 670 . 1 1 62 62 ILE H H 1 8.828 0.030 . 1 . . . . 62 ILE H . 10328 1 671 . 1 1 62 62 ILE HA H 1 4.340 0.030 . 1 . . . . 62 ILE HA . 10328 1 672 . 1 1 62 62 ILE HB H 1 1.812 0.030 . 1 . . . . 62 ILE HB . 10328 1 673 . 1 1 62 62 ILE HD11 H 1 0.807 0.030 . 1 . . . . 62 ILE HD1 . 10328 1 674 . 1 1 62 62 ILE HD12 H 1 0.807 0.030 . 1 . . . . 62 ILE HD1 . 10328 1 675 . 1 1 62 62 ILE HD13 H 1 0.807 0.030 . 1 . . . . 62 ILE HD1 . 10328 1 676 . 1 1 62 62 ILE HG12 H 1 1.561 0.030 . 2 . . . . 62 ILE HG12 . 10328 1 677 . 1 1 62 62 ILE HG13 H 1 0.710 0.030 . 2 . . . . 62 ILE HG13 . 10328 1 678 . 1 1 62 62 ILE HG21 H 1 0.795 0.030 . 1 . . . . 62 ILE HG2 . 10328 1 679 . 1 1 62 62 ILE HG22 H 1 0.795 0.030 . 1 . . . . 62 ILE HG2 . 10328 1 680 . 1 1 62 62 ILE HG23 H 1 0.795 0.030 . 1 . . . . 62 ILE HG2 . 10328 1 681 . 1 1 62 62 ILE C C 13 174.705 0.300 . 1 . . . . 62 ILE C . 10328 1 682 . 1 1 62 62 ILE CA C 13 61.591 0.300 . 1 . . . . 62 ILE CA . 10328 1 683 . 1 1 62 62 ILE CB C 13 39.843 0.300 . 1 . . . . 62 ILE CB . 10328 1 684 . 1 1 62 62 ILE CD1 C 13 13.952 0.300 . 1 . . . . 62 ILE CD1 . 10328 1 685 . 1 1 62 62 ILE CG1 C 13 27.789 0.300 . 1 . . . . 62 ILE CG1 . 10328 1 686 . 1 1 62 62 ILE CG2 C 13 18.363 0.300 . 1 . . . . 62 ILE CG2 . 10328 1 687 . 1 1 62 62 ILE N N 15 125.202 0.300 . 1 . . . . 62 ILE N . 10328 1 688 . 1 1 63 63 ARG H H 1 9.209 0.030 . 1 . . . . 63 ARG H . 10328 1 689 . 1 1 63 63 ARG HA H 1 4.674 0.030 . 1 . . . . 63 ARG HA . 10328 1 690 . 1 1 63 63 ARG HB2 H 1 1.643 0.030 . 2 . . . . 63 ARG HB2 . 10328 1 691 . 1 1 63 63 ARG HB3 H 1 1.939 0.030 . 2 . . . . 63 ARG HB3 . 10328 1 692 . 1 1 63 63 ARG HD2 H 1 3.143 0.030 . 2 . . . . 63 ARG HD2 . 10328 1 693 . 1 1 63 63 ARG HD3 H 1 3.200 0.030 . 2 . . . . 63 ARG HD3 . 10328 1 694 . 1 1 63 63 ARG HG2 H 1 1.252 0.030 . 2 . . . . 63 ARG HG2 . 10328 1 695 . 1 1 63 63 ARG HG3 H 1 1.593 0.030 . 2 . . . . 63 ARG HG3 . 10328 1 696 . 1 1 63 63 ARG C C 13 174.650 0.300 . 1 . . . . 63 ARG C . 10328 1 697 . 1 1 63 63 ARG CA C 13 54.625 0.300 . 1 . . . . 63 ARG CA . 10328 1 698 . 1 1 63 63 ARG CB C 13 32.653 0.300 . 1 . . . . 63 ARG CB . 10328 1 699 . 1 1 63 63 ARG CD C 13 43.793 0.300 . 1 . . . . 63 ARG CD . 10328 1 700 . 1 1 63 63 ARG CG C 13 27.048 0.300 . 1 . . . . 63 ARG CG . 10328 1 701 . 1 1 63 63 ARG N N 15 130.506 0.300 . 1 . . . . 63 ARG N . 10328 1 702 . 1 1 64 64 ASP H H 1 8.894 0.030 . 1 . . . . 64 ASP H . 10328 1 703 . 1 1 64 64 ASP HA H 1 4.454 0.030 . 1 . . . . 64 ASP HA . 10328 1 704 . 1 1 64 64 ASP HB2 H 1 2.709 0.030 . 2 . . . . 64 ASP HB2 . 10328 1 705 . 1 1 64 64 ASP HB3 H 1 2.993 0.030 . 2 . . . . 64 ASP HB3 . 10328 1 706 . 1 1 64 64 ASP C C 13 177.071 0.300 . 1 . . . . 64 ASP C . 10328 1 707 . 1 1 64 64 ASP CA C 13 53.216 0.300 . 1 . . . . 64 ASP CA . 10328 1 708 . 1 1 64 64 ASP CB C 13 40.848 0.300 . 1 . . . . 64 ASP CB . 10328 1 709 . 1 1 64 64 ASP N N 15 126.872 0.300 . 1 . . . . 64 ASP N . 10328 1 710 . 1 1 65 65 ASN H H 1 8.121 0.030 . 1 . . . . 65 ASN H . 10328 1 711 . 1 1 65 65 ASN HA H 1 4.581 0.030 . 1 . . . . 65 ASN HA . 10328 1 712 . 1 1 65 65 ASN HB2 H 1 2.665 0.030 . 2 . . . . 65 ASN HB2 . 10328 1 713 . 1 1 65 65 ASN HB3 H 1 2.847 0.030 . 2 . . . . 65 ASN HB3 . 10328 1 714 . 1 1 65 65 ASN HD21 H 1 7.104 0.030 . 2 . . . . 65 ASN HD21 . 10328 1 715 . 1 1 65 65 ASN HD22 H 1 7.326 0.030 . 2 . . . . 65 ASN HD22 . 10328 1 716 . 1 1 65 65 ASN C C 13 176.562 0.300 . 1 . . . . 65 ASN C . 10328 1 717 . 1 1 65 65 ASN CA C 13 54.795 0.300 . 1 . . . . 65 ASN CA . 10328 1 718 . 1 1 65 65 ASN CB C 13 38.170 0.300 . 1 . . . . 65 ASN CB . 10328 1 719 . 1 1 65 65 ASN N N 15 124.778 0.300 . 1 . . . . 65 ASN N . 10328 1 720 . 1 1 65 65 ASN ND2 N 15 113.525 0.300 . 1 . . . . 65 ASN ND2 . 10328 1 721 . 1 1 66 66 GLY H H 1 9.169 0.030 . 1 . . . . 66 GLY H . 10328 1 722 . 1 1 66 66 GLY HA2 H 1 3.748 0.030 . 2 . . . . 66 GLY HA2 . 10328 1 723 . 1 1 66 66 GLY HA3 H 1 3.986 0.030 . 2 . . . . 66 GLY HA3 . 10328 1 724 . 1 1 66 66 GLY C C 13 173.356 0.300 . 1 . . . . 66 GLY C . 10328 1 725 . 1 1 66 66 GLY CA C 13 46.048 0.300 . 1 . . . . 66 GLY CA . 10328 1 726 . 1 1 66 66 GLY N N 15 109.614 0.300 . 1 . . . . 66 GLY N . 10328 1 727 . 1 1 67 67 ASP H H 1 7.841 0.030 . 1 . . . . 67 ASP H . 10328 1 728 . 1 1 67 67 ASP HA H 1 4.710 0.030 . 1 . . . . 67 ASP HA . 10328 1 729 . 1 1 67 67 ASP HB2 H 1 2.369 0.030 . 2 . . . . 67 ASP HB2 . 10328 1 730 . 1 1 67 67 ASP HB3 H 1 2.984 0.030 . 2 . . . . 67 ASP HB3 . 10328 1 731 . 1 1 67 67 ASP C C 13 176.558 0.300 . 1 . . . . 67 ASP C . 10328 1 732 . 1 1 67 67 ASP CA C 13 51.943 0.300 . 1 . . . . 67 ASP CA . 10328 1 733 . 1 1 67 67 ASP CB C 13 41.180 0.300 . 1 . . . . 67 ASP CB . 10328 1 734 . 1 1 67 67 ASP N N 15 118.188 0.300 . 1 . . . . 67 ASP N . 10328 1 735 . 1 1 68 68 GLY H H 1 8.716 0.030 . 1 . . . . 68 GLY H . 10328 1 736 . 1 1 68 68 GLY HA2 H 1 3.650 0.030 . 2 . . . . 68 GLY HA2 . 10328 1 737 . 1 1 68 68 GLY HA3 H 1 4.263 0.030 . 2 . . . . 68 GLY HA3 . 10328 1 738 . 1 1 68 68 GLY C C 13 172.303 0.300 . 1 . . . . 68 GLY C . 10328 1 739 . 1 1 68 68 GLY CA C 13 45.625 0.300 . 1 . . . . 68 GLY CA . 10328 1 740 . 1 1 68 68 GLY N N 15 109.721 0.300 . 1 . . . . 68 GLY N . 10328 1 741 . 1 1 69 69 THR H H 1 7.953 0.030 . 1 . . . . 69 THR H . 10328 1 742 . 1 1 69 69 THR HA H 1 5.640 0.030 . 1 . . . . 69 THR HA . 10328 1 743 . 1 1 69 69 THR HB H 1 4.122 0.030 . 1 . . . . 69 THR HB . 10328 1 744 . 1 1 69 69 THR HG21 H 1 1.039 0.030 . 1 . . . . 69 THR HG2 . 10328 1 745 . 1 1 69 69 THR HG22 H 1 1.039 0.030 . 1 . . . . 69 THR HG2 . 10328 1 746 . 1 1 69 69 THR HG23 H 1 1.039 0.030 . 1 . . . . 69 THR HG2 . 10328 1 747 . 1 1 69 69 THR C C 13 173.428 0.300 . 1 . . . . 69 THR C . 10328 1 748 . 1 1 69 69 THR CA C 13 59.509 0.300 . 1 . . . . 69 THR CA . 10328 1 749 . 1 1 69 69 THR CB C 13 73.094 0.300 . 1 . . . . 69 THR CB . 10328 1 750 . 1 1 69 69 THR CG2 C 13 20.374 0.300 . 1 . . . . 69 THR CG2 . 10328 1 751 . 1 1 69 69 THR N N 15 108.701 0.300 . 1 . . . . 69 THR N . 10328 1 752 . 1 1 70 70 TYR H H 1 9.201 0.030 . 1 . . . . 70 TYR H . 10328 1 753 . 1 1 70 70 TYR HA H 1 5.415 0.030 . 1 . . . . 70 TYR HA . 10328 1 754 . 1 1 70 70 TYR HB2 H 1 2.496 0.030 . 2 . . . . 70 TYR HB2 . 10328 1 755 . 1 1 70 70 TYR HB3 H 1 2.615 0.030 . 2 . . . . 70 TYR HB3 . 10328 1 756 . 1 1 70 70 TYR HD1 H 1 6.801 0.030 . 1 . . . . 70 TYR HD1 . 10328 1 757 . 1 1 70 70 TYR HD2 H 1 6.801 0.030 . 1 . . . . 70 TYR HD2 . 10328 1 758 . 1 1 70 70 TYR HE1 H 1 6.746 0.030 . 1 . . . . 70 TYR HE1 . 10328 1 759 . 1 1 70 70 TYR HE2 H 1 6.746 0.030 . 1 . . . . 70 TYR HE2 . 10328 1 760 . 1 1 70 70 TYR C C 13 175.500 0.300 . 1 . . . . 70 TYR C . 10328 1 761 . 1 1 70 70 TYR CA C 13 56.273 0.300 . 1 . . . . 70 TYR CA . 10328 1 762 . 1 1 70 70 TYR CB C 13 42.133 0.300 . 1 . . . . 70 TYR CB . 10328 1 763 . 1 1 70 70 TYR CD1 C 13 133.035 0.300 . 1 . . . . 70 TYR CD1 . 10328 1 764 . 1 1 70 70 TYR CD2 C 13 133.035 0.300 . 1 . . . . 70 TYR CD2 . 10328 1 765 . 1 1 70 70 TYR CE1 C 13 117.896 0.300 . 1 . . . . 70 TYR CE1 . 10328 1 766 . 1 1 70 70 TYR CE2 C 13 117.896 0.300 . 1 . . . . 70 TYR CE2 . 10328 1 767 . 1 1 70 70 TYR N N 15 117.659 0.300 . 1 . . . . 70 TYR N . 10328 1 768 . 1 1 71 71 THR H H 1 9.233 0.030 . 1 . . . . 71 THR H . 10328 1 769 . 1 1 71 71 THR HA H 1 4.918 0.030 . 1 . . . . 71 THR HA . 10328 1 770 . 1 1 71 71 THR HB H 1 3.836 0.030 . 1 . . . . 71 THR HB . 10328 1 771 . 1 1 71 71 THR HG21 H 1 1.086 0.030 . 1 . . . . 71 THR HG2 . 10328 1 772 . 1 1 71 71 THR HG22 H 1 1.086 0.030 . 1 . . . . 71 THR HG2 . 10328 1 773 . 1 1 71 71 THR HG23 H 1 1.086 0.030 . 1 . . . . 71 THR HG2 . 10328 1 774 . 1 1 71 71 THR C C 13 173.571 0.300 . 1 . . . . 71 THR C . 10328 1 775 . 1 1 71 71 THR CA C 13 62.297 0.300 . 1 . . . . 71 THR CA . 10328 1 776 . 1 1 71 71 THR CB C 13 70.706 0.300 . 1 . . . . 71 THR CB . 10328 1 777 . 1 1 71 71 THR CG2 C 13 22.102 0.300 . 1 . . . . 71 THR CG2 . 10328 1 778 . 1 1 71 71 THR N N 15 120.725 0.300 . 1 . . . . 71 THR N . 10328 1 779 . 1 1 72 72 VAL H H 1 9.216 0.030 . 1 . . . . 72 VAL H . 10328 1 780 . 1 1 72 72 VAL HA H 1 4.882 0.030 . 1 . . . . 72 VAL HA . 10328 1 781 . 1 1 72 72 VAL HB H 1 0.048 0.030 . 1 . . . . 72 VAL HB . 10328 1 782 . 1 1 72 72 VAL HG11 H 1 0.504 0.030 . 1 . . . . 72 VAL HG1 . 10328 1 783 . 1 1 72 72 VAL HG12 H 1 0.504 0.030 . 1 . . . . 72 VAL HG1 . 10328 1 784 . 1 1 72 72 VAL HG13 H 1 0.504 0.030 . 1 . . . . 72 VAL HG1 . 10328 1 785 . 1 1 72 72 VAL HG21 H 1 0.466 0.030 . 1 . . . . 72 VAL HG2 . 10328 1 786 . 1 1 72 72 VAL HG22 H 1 0.466 0.030 . 1 . . . . 72 VAL HG2 . 10328 1 787 . 1 1 72 72 VAL HG23 H 1 0.466 0.030 . 1 . . . . 72 VAL HG2 . 10328 1 788 . 1 1 72 72 VAL C C 13 173.717 0.300 . 1 . . . . 72 VAL C . 10328 1 789 . 1 1 72 72 VAL CA C 13 59.966 0.300 . 1 . . . . 72 VAL CA . 10328 1 790 . 1 1 72 72 VAL CB C 13 32.148 0.300 . 1 . . . . 72 VAL CB . 10328 1 791 . 1 1 72 72 VAL CG1 C 13 22.443 0.300 . 2 . . . . 72 VAL CG1 . 10328 1 792 . 1 1 72 72 VAL CG2 C 13 21.462 0.300 . 2 . . . . 72 VAL CG2 . 10328 1 793 . 1 1 72 72 VAL N N 15 131.038 0.300 . 1 . . . . 72 VAL N . 10328 1 794 . 1 1 73 73 SER H H 1 8.865 0.030 . 1 . . . . 73 SER H . 10328 1 795 . 1 1 73 73 SER HA H 1 5.730 0.030 . 1 . . . . 73 SER HA . 10328 1 796 . 1 1 73 73 SER HB2 H 1 3.791 0.030 . 2 . . . . 73 SER HB2 . 10328 1 797 . 1 1 73 73 SER HB3 H 1 3.750 0.030 . 2 . . . . 73 SER HB3 . 10328 1 798 . 1 1 73 73 SER C C 13 173.492 0.300 . 1 . . . . 73 SER C . 10328 1 799 . 1 1 73 73 SER CA C 13 55.687 0.300 . 1 . . . . 73 SER CA . 10328 1 800 . 1 1 73 73 SER CB C 13 66.320 0.300 . 1 . . . . 73 SER CB . 10328 1 801 . 1 1 73 73 SER N N 15 118.839 0.300 . 1 . . . . 73 SER N . 10328 1 802 . 1 1 74 74 TYR H H 1 8.740 0.030 . 1 . . . . 74 TYR H . 10328 1 803 . 1 1 74 74 TYR HA H 1 4.894 0.030 . 1 . . . . 74 TYR HA . 10328 1 804 . 1 1 74 74 TYR HB2 H 1 2.672 0.030 . 2 . . . . 74 TYR HB2 . 10328 1 805 . 1 1 74 74 TYR HB3 H 1 2.992 0.030 . 2 . . . . 74 TYR HB3 . 10328 1 806 . 1 1 74 74 TYR HD1 H 1 6.451 0.030 . 1 . . . . 74 TYR HD1 . 10328 1 807 . 1 1 74 74 TYR HD2 H 1 6.451 0.030 . 1 . . . . 74 TYR HD2 . 10328 1 808 . 1 1 74 74 TYR HE1 H 1 6.060 0.030 . 1 . . . . 74 TYR HE1 . 10328 1 809 . 1 1 74 74 TYR HE2 H 1 6.060 0.030 . 1 . . . . 74 TYR HE2 . 10328 1 810 . 1 1 74 74 TYR C C 13 171.639 0.300 . 1 . . . . 74 TYR C . 10328 1 811 . 1 1 74 74 TYR CA C 13 56.253 0.300 . 1 . . . . 74 TYR CA . 10328 1 812 . 1 1 74 74 TYR CB C 13 40.731 0.300 . 1 . . . . 74 TYR CB . 10328 1 813 . 1 1 74 74 TYR CD1 C 13 132.579 0.300 . 1 . . . . 74 TYR CD1 . 10328 1 814 . 1 1 74 74 TYR CD2 C 13 132.579 0.300 . 1 . . . . 74 TYR CD2 . 10328 1 815 . 1 1 74 74 TYR CE1 C 13 116.867 0.300 . 1 . . . . 74 TYR CE1 . 10328 1 816 . 1 1 74 74 TYR CE2 C 13 116.867 0.300 . 1 . . . . 74 TYR CE2 . 10328 1 817 . 1 1 74 74 TYR N N 15 118.859 0.300 . 1 . . . . 74 TYR N . 10328 1 818 . 1 1 75 75 LEU H H 1 8.679 0.030 . 1 . . . . 75 LEU H . 10328 1 819 . 1 1 75 75 LEU HA H 1 4.824 0.030 . 1 . . . . 75 LEU HA . 10328 1 820 . 1 1 75 75 LEU HB2 H 1 1.927 0.030 . 2 . . . . 75 LEU HB2 . 10328 1 821 . 1 1 75 75 LEU HB3 H 1 1.266 0.030 . 2 . . . . 75 LEU HB3 . 10328 1 822 . 1 1 75 75 LEU HD11 H 1 0.546 0.030 . 1 . . . . 75 LEU HD1 . 10328 1 823 . 1 1 75 75 LEU HD12 H 1 0.546 0.030 . 1 . . . . 75 LEU HD1 . 10328 1 824 . 1 1 75 75 LEU HD13 H 1 0.546 0.030 . 1 . . . . 75 LEU HD1 . 10328 1 825 . 1 1 75 75 LEU HD21 H 1 0.717 0.030 . 1 . . . . 75 LEU HD2 . 10328 1 826 . 1 1 75 75 LEU HD22 H 1 0.717 0.030 . 1 . . . . 75 LEU HD2 . 10328 1 827 . 1 1 75 75 LEU HD23 H 1 0.717 0.030 . 1 . . . . 75 LEU HD2 . 10328 1 828 . 1 1 75 75 LEU HG H 1 1.192 0.030 . 1 . . . . 75 LEU HG . 10328 1 829 . 1 1 75 75 LEU C C 13 174.171 0.300 . 1 . . . . 75 LEU C . 10328 1 830 . 1 1 75 75 LEU CA C 13 51.158 0.300 . 1 . . . . 75 LEU CA . 10328 1 831 . 1 1 75 75 LEU CB C 13 43.697 0.300 . 1 . . . . 75 LEU CB . 10328 1 832 . 1 1 75 75 LEU CD1 C 13 23.306 0.300 . 2 . . . . 75 LEU CD1 . 10328 1 833 . 1 1 75 75 LEU CD2 C 13 24.729 0.300 . 2 . . . . 75 LEU CD2 . 10328 1 834 . 1 1 75 75 LEU CG C 13 28.274 0.300 . 1 . . . . 75 LEU CG . 10328 1 835 . 1 1 75 75 LEU N N 15 121.168 0.300 . 1 . . . . 75 LEU N . 10328 1 836 . 1 1 76 76 PRO HA H 1 4.685 0.030 . 1 . . . . 76 PRO HA . 10328 1 837 . 1 1 76 76 PRO HB2 H 1 1.827 0.030 . 2 . . . . 76 PRO HB2 . 10328 1 838 . 1 1 76 76 PRO HB3 H 1 0.977 0.030 . 2 . . . . 76 PRO HB3 . 10328 1 839 . 1 1 76 76 PRO HD2 H 1 3.945 0.030 . 2 . . . . 76 PRO HD2 . 10328 1 840 . 1 1 76 76 PRO HD3 H 1 3.025 0.030 . 2 . . . . 76 PRO HD3 . 10328 1 841 . 1 1 76 76 PRO HG2 H 1 1.707 0.030 . 2 . . . . 76 PRO HG2 . 10328 1 842 . 1 1 76 76 PRO HG3 H 1 2.173 0.030 . 2 . . . . 76 PRO HG3 . 10328 1 843 . 1 1 76 76 PRO C C 13 174.505 0.300 . 1 . . . . 76 PRO C . 10328 1 844 . 1 1 76 76 PRO CA C 13 61.659 0.300 . 1 . . . . 76 PRO CA . 10328 1 845 . 1 1 76 76 PRO CB C 13 29.937 0.300 . 1 . . . . 76 PRO CB . 10328 1 846 . 1 1 76 76 PRO CD C 13 50.510 0.300 . 1 . . . . 76 PRO CD . 10328 1 847 . 1 1 76 76 PRO CG C 13 26.973 0.300 . 1 . . . . 76 PRO CG . 10328 1 848 . 1 1 77 77 ASP H H 1 8.494 0.030 . 1 . . . . 77 ASP H . 10328 1 849 . 1 1 77 77 ASP HA H 1 4.166 0.030 . 1 . . . . 77 ASP HA . 10328 1 850 . 1 1 77 77 ASP HB2 H 1 2.534 0.030 . 2 . . . . 77 ASP HB2 . 10328 1 851 . 1 1 77 77 ASP HB3 H 1 2.755 0.030 . 2 . . . . 77 ASP HB3 . 10328 1 852 . 1 1 77 77 ASP C C 13 175.196 0.300 . 1 . . . . 77 ASP C . 10328 1 853 . 1 1 77 77 ASP CA C 13 55.619 0.300 . 1 . . . . 77 ASP CA . 10328 1 854 . 1 1 77 77 ASP CB C 13 40.238 0.300 . 1 . . . . 77 ASP CB . 10328 1 855 . 1 1 77 77 ASP N N 15 124.478 0.300 . 1 . . . . 77 ASP N . 10328 1 856 . 1 1 78 78 MET H H 1 7.621 0.030 . 1 . . . . 78 MET H . 10328 1 857 . 1 1 78 78 MET HA H 1 4.668 0.030 . 1 . . . . 78 MET HA . 10328 1 858 . 1 1 78 78 MET HB2 H 1 2.018 0.030 . 1 . . . . 78 MET HB2 . 10328 1 859 . 1 1 78 78 MET HB3 H 1 2.018 0.030 . 1 . . . . 78 MET HB3 . 10328 1 860 . 1 1 78 78 MET HE1 H 1 2.052 0.030 . 1 . . . . 78 MET HE . 10328 1 861 . 1 1 78 78 MET HE2 H 1 2.052 0.030 . 1 . . . . 78 MET HE . 10328 1 862 . 1 1 78 78 MET HE3 H 1 2.052 0.030 . 1 . . . . 78 MET HE . 10328 1 863 . 1 1 78 78 MET HG2 H 1 2.574 0.030 . 2 . . . . 78 MET HG2 . 10328 1 864 . 1 1 78 78 MET HG3 H 1 2.491 0.030 . 2 . . . . 78 MET HG3 . 10328 1 865 . 1 1 78 78 MET C C 13 176.436 0.300 . 1 . . . . 78 MET C . 10328 1 866 . 1 1 78 78 MET CA C 13 54.271 0.300 . 1 . . . . 78 MET CA . 10328 1 867 . 1 1 78 78 MET CB C 13 35.490 0.300 . 1 . . . . 78 MET CB . 10328 1 868 . 1 1 78 78 MET CE C 13 16.897 0.300 . 1 . . . . 78 MET CE . 10328 1 869 . 1 1 78 78 MET CG C 13 31.041 0.300 . 1 . . . . 78 MET CG . 10328 1 870 . 1 1 78 78 MET N N 15 116.752 0.300 . 1 . . . . 78 MET N . 10328 1 871 . 1 1 79 79 SER H H 1 8.782 0.030 . 1 . . . . 79 SER H . 10328 1 872 . 1 1 79 79 SER HA H 1 4.408 0.030 . 1 . . . . 79 SER HA . 10328 1 873 . 1 1 79 79 SER HB2 H 1 3.743 0.030 . 2 . . . . 79 SER HB2 . 10328 1 874 . 1 1 79 79 SER HB3 H 1 3.957 0.030 . 2 . . . . 79 SER HB3 . 10328 1 875 . 1 1 79 79 SER C C 13 173.159 0.300 . 1 . . . . 79 SER C . 10328 1 876 . 1 1 79 79 SER CA C 13 59.088 0.300 . 1 . . . . 79 SER CA . 10328 1 877 . 1 1 79 79 SER CB C 13 63.844 0.300 . 1 . . . . 79 SER CB . 10328 1 878 . 1 1 79 79 SER N N 15 118.924 0.300 . 1 . . . . 79 SER N . 10328 1 879 . 1 1 80 80 GLY H H 1 9.021 0.030 . 1 . . . . 80 GLY H . 10328 1 880 . 1 1 80 80 GLY HA2 H 1 3.826 0.030 . 2 . . . . 80 GLY HA2 . 10328 1 881 . 1 1 80 80 GLY HA3 H 1 4.640 0.030 . 2 . . . . 80 GLY HA3 . 10328 1 882 . 1 1 80 80 GLY C C 13 172.483 0.300 . 1 . . . . 80 GLY C . 10328 1 883 . 1 1 80 80 GLY CA C 13 43.659 0.300 . 1 . . . . 80 GLY CA . 10328 1 884 . 1 1 80 80 GLY N N 15 109.250 0.300 . 1 . . . . 80 GLY N . 10328 1 885 . 1 1 81 81 ARG H H 1 8.585 0.030 . 1 . . . . 81 ARG H . 10328 1 886 . 1 1 81 81 ARG HA H 1 4.615 0.030 . 1 . . . . 81 ARG HA . 10328 1 887 . 1 1 81 81 ARG HB2 H 1 1.533 0.030 . 2 . . . . 81 ARG HB2 . 10328 1 888 . 1 1 81 81 ARG HB3 H 1 1.660 0.030 . 2 . . . . 81 ARG HB3 . 10328 1 889 . 1 1 81 81 ARG HD2 H 1 2.980 0.030 . 1 . . . . 81 ARG HD2 . 10328 1 890 . 1 1 81 81 ARG HD3 H 1 2.980 0.030 . 1 . . . . 81 ARG HD3 . 10328 1 891 . 1 1 81 81 ARG HG2 H 1 1.161 0.030 . 1 . . . . 81 ARG HG2 . 10328 1 892 . 1 1 81 81 ARG HG3 H 1 1.161 0.030 . 1 . . . . 81 ARG HG3 . 10328 1 893 . 1 1 81 81 ARG C C 13 175.060 0.300 . 1 . . . . 81 ARG C . 10328 1 894 . 1 1 81 81 ARG CA C 13 56.570 0.300 . 1 . . . . 81 ARG CA . 10328 1 895 . 1 1 81 81 ARG CB C 13 31.390 0.300 . 1 . . . . 81 ARG CB . 10328 1 896 . 1 1 81 81 ARG CD C 13 43.730 0.300 . 1 . . . . 81 ARG CD . 10328 1 897 . 1 1 81 81 ARG CG C 13 27.088 0.300 . 1 . . . . 81 ARG CG . 10328 1 898 . 1 1 81 81 ARG N N 15 120.507 0.300 . 1 . . . . 81 ARG N . 10328 1 899 . 1 1 82 82 TYR H H 1 9.663 0.030 . 1 . . . . 82 TYR H . 10328 1 900 . 1 1 82 82 TYR HA H 1 4.706 0.030 . 1 . . . . 82 TYR HA . 10328 1 901 . 1 1 82 82 TYR HB2 H 1 2.386 0.030 . 2 . . . . 82 TYR HB2 . 10328 1 902 . 1 1 82 82 TYR HB3 H 1 3.020 0.030 . 2 . . . . 82 TYR HB3 . 10328 1 903 . 1 1 82 82 TYR HD1 H 1 7.151 0.030 . 1 . . . . 82 TYR HD1 . 10328 1 904 . 1 1 82 82 TYR HD2 H 1 7.151 0.030 . 1 . . . . 82 TYR HD2 . 10328 1 905 . 1 1 82 82 TYR HE1 H 1 6.847 0.030 . 1 . . . . 82 TYR HE1 . 10328 1 906 . 1 1 82 82 TYR HE2 H 1 6.847 0.030 . 1 . . . . 82 TYR HE2 . 10328 1 907 . 1 1 82 82 TYR C C 13 175.821 0.300 . 1 . . . . 82 TYR C . 10328 1 908 . 1 1 82 82 TYR CA C 13 57.197 0.300 . 1 . . . . 82 TYR CA . 10328 1 909 . 1 1 82 82 TYR CB C 13 40.087 0.300 . 1 . . . . 82 TYR CB . 10328 1 910 . 1 1 82 82 TYR CD1 C 13 133.186 0.300 . 1 . . . . 82 TYR CD1 . 10328 1 911 . 1 1 82 82 TYR CD2 C 13 133.186 0.300 . 1 . . . . 82 TYR CD2 . 10328 1 912 . 1 1 82 82 TYR CE1 C 13 117.267 0.300 . 1 . . . . 82 TYR CE1 . 10328 1 913 . 1 1 82 82 TYR CE2 C 13 117.267 0.300 . 1 . . . . 82 TYR CE2 . 10328 1 914 . 1 1 82 82 TYR N N 15 127.777 0.300 . 1 . . . . 82 TYR N . 10328 1 915 . 1 1 83 83 THR H H 1 8.768 0.030 . 1 . . . . 83 THR H . 10328 1 916 . 1 1 83 83 THR HA H 1 5.003 0.030 . 1 . . . . 83 THR HA . 10328 1 917 . 1 1 83 83 THR HB H 1 3.886 0.030 . 1 . . . . 83 THR HB . 10328 1 918 . 1 1 83 83 THR HG21 H 1 1.043 0.030 . 1 . . . . 83 THR HG2 . 10328 1 919 . 1 1 83 83 THR HG22 H 1 1.043 0.030 . 1 . . . . 83 THR HG2 . 10328 1 920 . 1 1 83 83 THR HG23 H 1 1.043 0.030 . 1 . . . . 83 THR HG2 . 10328 1 921 . 1 1 83 83 THR C C 13 174.565 0.300 . 1 . . . . 83 THR C . 10328 1 922 . 1 1 83 83 THR CA C 13 62.088 0.300 . 1 . . . . 83 THR CA . 10328 1 923 . 1 1 83 83 THR CB C 13 70.110 0.300 . 1 . . . . 83 THR CB . 10328 1 924 . 1 1 83 83 THR CG2 C 13 21.412 0.300 . 1 . . . . 83 THR CG2 . 10328 1 925 . 1 1 83 83 THR N N 15 117.284 0.300 . 1 . . . . 83 THR N . 10328 1 926 . 1 1 84 84 ILE H H 1 9.672 0.030 . 1 . . . . 84 ILE H . 10328 1 927 . 1 1 84 84 ILE HA H 1 4.848 0.030 . 1 . . . . 84 ILE HA . 10328 1 928 . 1 1 84 84 ILE HB H 1 1.855 0.030 . 1 . . . . 84 ILE HB . 10328 1 929 . 1 1 84 84 ILE HD11 H 1 0.436 0.030 . 1 . . . . 84 ILE HD1 . 10328 1 930 . 1 1 84 84 ILE HD12 H 1 0.436 0.030 . 1 . . . . 84 ILE HD1 . 10328 1 931 . 1 1 84 84 ILE HD13 H 1 0.436 0.030 . 1 . . . . 84 ILE HD1 . 10328 1 932 . 1 1 84 84 ILE HG12 H 1 1.350 0.030 . 2 . . . . 84 ILE HG12 . 10328 1 933 . 1 1 84 84 ILE HG13 H 1 0.657 0.030 . 2 . . . . 84 ILE HG13 . 10328 1 934 . 1 1 84 84 ILE HG21 H 1 0.594 0.030 . 1 . . . . 84 ILE HG2 . 10328 1 935 . 1 1 84 84 ILE HG22 H 1 0.594 0.030 . 1 . . . . 84 ILE HG2 . 10328 1 936 . 1 1 84 84 ILE HG23 H 1 0.594 0.030 . 1 . . . . 84 ILE HG2 . 10328 1 937 . 1 1 84 84 ILE C C 13 174.640 0.300 . 1 . . . . 84 ILE C . 10328 1 938 . 1 1 84 84 ILE CA C 13 61.204 0.300 . 1 . . . . 84 ILE CA . 10328 1 939 . 1 1 84 84 ILE CB C 13 39.906 0.300 . 1 . . . . 84 ILE CB . 10328 1 940 . 1 1 84 84 ILE CD1 C 13 13.553 0.300 . 1 . . . . 84 ILE CD1 . 10328 1 941 . 1 1 84 84 ILE CG1 C 13 27.620 0.300 . 1 . . . . 84 ILE CG1 . 10328 1 942 . 1 1 84 84 ILE CG2 C 13 16.538 0.300 . 1 . . . . 84 ILE CG2 . 10328 1 943 . 1 1 84 84 ILE N N 15 130.430 0.300 . 1 . . . . 84 ILE N . 10328 1 944 . 1 1 85 85 THR H H 1 9.327 0.030 . 1 . . . . 85 THR H . 10328 1 945 . 1 1 85 85 THR HA H 1 4.700 0.030 . 1 . . . . 85 THR HA . 10328 1 946 . 1 1 85 85 THR HB H 1 3.924 0.030 . 1 . . . . 85 THR HB . 10328 1 947 . 1 1 85 85 THR HG21 H 1 1.077 0.030 . 1 . . . . 85 THR HG2 . 10328 1 948 . 1 1 85 85 THR HG22 H 1 1.077 0.030 . 1 . . . . 85 THR HG2 . 10328 1 949 . 1 1 85 85 THR HG23 H 1 1.077 0.030 . 1 . . . . 85 THR HG2 . 10328 1 950 . 1 1 85 85 THR C C 13 174.767 0.300 . 1 . . . . 85 THR C . 10328 1 951 . 1 1 85 85 THR CA C 13 62.584 0.300 . 1 . . . . 85 THR CA . 10328 1 952 . 1 1 85 85 THR CB C 13 69.939 0.300 . 1 . . . . 85 THR CB . 10328 1 953 . 1 1 85 85 THR CG2 C 13 20.535 0.300 . 1 . . . . 85 THR CG2 . 10328 1 954 . 1 1 85 85 THR N N 15 126.246 0.300 . 1 . . . . 85 THR N . 10328 1 955 . 1 1 86 86 ILE H H 1 8.965 0.030 . 1 . . . . 86 ILE H . 10328 1 956 . 1 1 86 86 ILE HA H 1 4.948 0.030 . 1 . . . . 86 ILE HA . 10328 1 957 . 1 1 86 86 ILE HB H 1 1.720 0.030 . 1 . . . . 86 ILE HB . 10328 1 958 . 1 1 86 86 ILE HD11 H 1 0.807 0.030 . 1 . . . . 86 ILE HD1 . 10328 1 959 . 1 1 86 86 ILE HD12 H 1 0.807 0.030 . 1 . . . . 86 ILE HD1 . 10328 1 960 . 1 1 86 86 ILE HD13 H 1 0.807 0.030 . 1 . . . . 86 ILE HD1 . 10328 1 961 . 1 1 86 86 ILE HG12 H 1 1.039 0.030 . 2 . . . . 86 ILE HG12 . 10328 1 962 . 1 1 86 86 ILE HG13 H 1 1.752 0.030 . 2 . . . . 86 ILE HG13 . 10328 1 963 . 1 1 86 86 ILE HG21 H 1 0.920 0.030 . 1 . . . . 86 ILE HG2 . 10328 1 964 . 1 1 86 86 ILE HG22 H 1 0.920 0.030 . 1 . . . . 86 ILE HG2 . 10328 1 965 . 1 1 86 86 ILE HG23 H 1 0.920 0.030 . 1 . . . . 86 ILE HG2 . 10328 1 966 . 1 1 86 86 ILE C C 13 173.763 0.300 . 1 . . . . 86 ILE C . 10328 1 967 . 1 1 86 86 ILE CA C 13 60.492 0.300 . 1 . . . . 86 ILE CA . 10328 1 968 . 1 1 86 86 ILE CB C 13 40.701 0.300 . 1 . . . . 86 ILE CB . 10328 1 969 . 1 1 86 86 ILE CD1 C 13 14.949 0.300 . 1 . . . . 86 ILE CD1 . 10328 1 970 . 1 1 86 86 ILE CG1 C 13 27.742 0.300 . 1 . . . . 86 ILE CG1 . 10328 1 971 . 1 1 86 86 ILE CG2 C 13 18.227 0.300 . 1 . . . . 86 ILE CG2 . 10328 1 972 . 1 1 86 86 ILE N N 15 128.709 0.300 . 1 . . . . 86 ILE N . 10328 1 973 . 1 1 87 87 LYS H H 1 8.727 0.030 . 1 . . . . 87 LYS H . 10328 1 974 . 1 1 87 87 LYS HA H 1 5.111 0.030 . 1 . . . . 87 LYS HA . 10328 1 975 . 1 1 87 87 LYS HB2 H 1 1.005 0.030 . 2 . . . . 87 LYS HB2 . 10328 1 976 . 1 1 87 87 LYS HB3 H 1 1.586 0.030 . 2 . . . . 87 LYS HB3 . 10328 1 977 . 1 1 87 87 LYS HD2 H 1 1.293 0.030 . 2 . . . . 87 LYS HD2 . 10328 1 978 . 1 1 87 87 LYS HD3 H 1 1.347 0.030 . 2 . . . . 87 LYS HD3 . 10328 1 979 . 1 1 87 87 LYS HE2 H 1 2.622 0.030 . 1 . . . . 87 LYS HE2 . 10328 1 980 . 1 1 87 87 LYS HE3 H 1 2.622 0.030 . 1 . . . . 87 LYS HE3 . 10328 1 981 . 1 1 87 87 LYS HG2 H 1 0.730 0.030 . 2 . . . . 87 LYS HG2 . 10328 1 982 . 1 1 87 87 LYS HG3 H 1 1.140 0.030 . 2 . . . . 87 LYS HG3 . 10328 1 983 . 1 1 87 87 LYS C C 13 173.784 0.300 . 1 . . . . 87 LYS C . 10328 1 984 . 1 1 87 87 LYS CA C 13 54.013 0.300 . 1 . . . . 87 LYS CA . 10328 1 985 . 1 1 87 87 LYS CB C 13 36.947 0.300 . 1 . . . . 87 LYS CB . 10328 1 986 . 1 1 87 87 LYS CD C 13 29.632 0.300 . 1 . . . . 87 LYS CD . 10328 1 987 . 1 1 87 87 LYS CE C 13 42.263 0.300 . 1 . . . . 87 LYS CE . 10328 1 988 . 1 1 87 87 LYS CG C 13 25.589 0.300 . 1 . . . . 87 LYS CG . 10328 1 989 . 1 1 87 87 LYS N N 15 124.807 0.300 . 1 . . . . 87 LYS N . 10328 1 990 . 1 1 88 88 TYR H H 1 9.159 0.030 . 1 . . . . 88 TYR H . 10328 1 991 . 1 1 88 88 TYR HA H 1 5.066 0.030 . 1 . . . . 88 TYR HA . 10328 1 992 . 1 1 88 88 TYR HB2 H 1 2.422 0.030 . 2 . . . . 88 TYR HB2 . 10328 1 993 . 1 1 88 88 TYR HB3 H 1 2.789 0.030 . 2 . . . . 88 TYR HB3 . 10328 1 994 . 1 1 88 88 TYR HD1 H 1 6.556 0.030 . 1 . . . . 88 TYR HD1 . 10328 1 995 . 1 1 88 88 TYR HD2 H 1 6.556 0.030 . 1 . . . . 88 TYR HD2 . 10328 1 996 . 1 1 88 88 TYR HE1 H 1 6.542 0.030 . 1 . . . . 88 TYR HE1 . 10328 1 997 . 1 1 88 88 TYR HE2 H 1 6.542 0.030 . 1 . . . . 88 TYR HE2 . 10328 1 998 . 1 1 88 88 TYR C C 13 176.078 0.300 . 1 . . . . 88 TYR C . 10328 1 999 . 1 1 88 88 TYR CA C 13 57.242 0.300 . 1 . . . . 88 TYR CA . 10328 1 1000 . 1 1 88 88 TYR CB C 13 43.336 0.300 . 1 . . . . 88 TYR CB . 10328 1 1001 . 1 1 88 88 TYR CD1 C 13 130.908 0.300 . 1 . . . . 88 TYR CD1 . 10328 1 1002 . 1 1 88 88 TYR CD2 C 13 130.908 0.300 . 1 . . . . 88 TYR CD2 . 10328 1 1003 . 1 1 88 88 TYR CE1 C 13 118.750 0.300 . 1 . . . . 88 TYR CE1 . 10328 1 1004 . 1 1 88 88 TYR CE2 C 13 118.750 0.300 . 1 . . . . 88 TYR CE2 . 10328 1 1005 . 1 1 88 88 TYR N N 15 121.682 0.300 . 1 . . . . 88 TYR N . 10328 1 1006 . 1 1 89 89 GLY H H 1 8.662 0.030 . 1 . . . . 89 GLY H . 10328 1 1007 . 1 1 89 89 GLY HA2 H 1 2.302 0.030 . 2 . . . . 89 GLY HA2 . 10328 1 1008 . 1 1 89 89 GLY HA3 H 1 3.456 0.030 . 2 . . . . 89 GLY HA3 . 10328 1 1009 . 1 1 89 89 GLY C C 13 174.093 0.300 . 1 . . . . 89 GLY C . 10328 1 1010 . 1 1 89 89 GLY CA C 13 45.286 0.300 . 1 . . . . 89 GLY CA . 10328 1 1011 . 1 1 89 89 GLY N N 15 114.751 0.300 . 1 . . . . 89 GLY N . 10328 1 1012 . 1 1 90 90 GLY H H 1 7.975 0.030 . 1 . . . . 90 GLY H . 10328 1 1013 . 1 1 90 90 GLY HA2 H 1 3.291 0.030 . 2 . . . . 90 GLY HA2 . 10328 1 1014 . 1 1 90 90 GLY HA3 H 1 4.222 0.030 . 2 . . . . 90 GLY HA3 . 10328 1 1015 . 1 1 90 90 GLY C C 13 172.492 0.300 . 1 . . . . 90 GLY C . 10328 1 1016 . 1 1 90 90 GLY CA C 13 44.402 0.300 . 1 . . . . 90 GLY CA . 10328 1 1017 . 1 1 90 90 GLY N N 15 102.704 0.300 . 1 . . . . 90 GLY N . 10328 1 1018 . 1 1 91 91 ASP H H 1 7.239 0.030 . 1 . . . . 91 ASP H . 10328 1 1019 . 1 1 91 91 ASP HA H 1 5.021 0.030 . 1 . . . . 91 ASP HA . 10328 1 1020 . 1 1 91 91 ASP HB2 H 1 2.734 0.030 . 2 . . . . 91 ASP HB2 . 10328 1 1021 . 1 1 91 91 ASP HB3 H 1 2.800 0.030 . 2 . . . . 91 ASP HB3 . 10328 1 1022 . 1 1 91 91 ASP C C 13 174.644 0.300 . 1 . . . . 91 ASP C . 10328 1 1023 . 1 1 91 91 ASP CA C 13 52.856 0.300 . 1 . . . . 91 ASP CA . 10328 1 1024 . 1 1 91 91 ASP CB C 13 43.663 0.300 . 1 . . . . 91 ASP CB . 10328 1 1025 . 1 1 91 91 ASP N N 15 119.956 0.300 . 1 . . . . 91 ASP N . 10328 1 1026 . 1 1 92 92 GLU H H 1 9.072 0.030 . 1 . . . . 92 GLU H . 10328 1 1027 . 1 1 92 92 GLU HA H 1 4.483 0.030 . 1 . . . . 92 GLU HA . 10328 1 1028 . 1 1 92 92 GLU HB2 H 1 1.792 0.030 . 2 . . . . 92 GLU HB2 . 10328 1 1029 . 1 1 92 92 GLU HB3 H 1 2.062 0.030 . 2 . . . . 92 GLU HB3 . 10328 1 1030 . 1 1 92 92 GLU HG2 H 1 2.324 0.030 . 2 . . . . 92 GLU HG2 . 10328 1 1031 . 1 1 92 92 GLU HG3 H 1 2.407 0.030 . 2 . . . . 92 GLU HG3 . 10328 1 1032 . 1 1 92 92 GLU C C 13 176.820 0.300 . 1 . . . . 92 GLU C . 10328 1 1033 . 1 1 92 92 GLU CA C 13 58.359 0.300 . 1 . . . . 92 GLU CA . 10328 1 1034 . 1 1 92 92 GLU CB C 13 30.207 0.300 . 1 . . . . 92 GLU CB . 10328 1 1035 . 1 1 92 92 GLU CG C 13 37.849 0.300 . 1 . . . . 92 GLU CG . 10328 1 1036 . 1 1 92 92 GLU N N 15 124.913 0.300 . 1 . . . . 92 GLU N . 10328 1 1037 . 1 1 93 93 ILE H H 1 7.767 0.030 . 1 . . . . 93 ILE H . 10328 1 1038 . 1 1 93 93 ILE HA H 1 4.483 0.030 . 1 . . . . 93 ILE HA . 10328 1 1039 . 1 1 93 93 ILE HB H 1 2.250 0.030 . 1 . . . . 93 ILE HB . 10328 1 1040 . 1 1 93 93 ILE HD11 H 1 0.905 0.030 . 1 . . . . 93 ILE HD1 . 10328 1 1041 . 1 1 93 93 ILE HD12 H 1 0.905 0.030 . 1 . . . . 93 ILE HD1 . 10328 1 1042 . 1 1 93 93 ILE HD13 H 1 0.905 0.030 . 1 . . . . 93 ILE HD1 . 10328 1 1043 . 1 1 93 93 ILE HG12 H 1 1.268 0.030 . 2 . . . . 93 ILE HG12 . 10328 1 1044 . 1 1 93 93 ILE HG13 H 1 1.578 0.030 . 2 . . . . 93 ILE HG13 . 10328 1 1045 . 1 1 93 93 ILE HG21 H 1 0.989 0.030 . 1 . . . . 93 ILE HG2 . 10328 1 1046 . 1 1 93 93 ILE HG22 H 1 0.989 0.030 . 1 . . . . 93 ILE HG2 . 10328 1 1047 . 1 1 93 93 ILE HG23 H 1 0.989 0.030 . 1 . . . . 93 ILE HG2 . 10328 1 1048 . 1 1 93 93 ILE C C 13 173.151 0.300 . 1 . . . . 93 ILE C . 10328 1 1049 . 1 1 93 93 ILE CA C 13 60.544 0.300 . 1 . . . . 93 ILE CA . 10328 1 1050 . 1 1 93 93 ILE CB C 13 36.197 0.300 . 1 . . . . 93 ILE CB . 10328 1 1051 . 1 1 93 93 ILE CD1 C 13 15.442 0.300 . 1 . . . . 93 ILE CD1 . 10328 1 1052 . 1 1 93 93 ILE CG1 C 13 24.736 0.300 . 1 . . . . 93 ILE CG1 . 10328 1 1053 . 1 1 93 93 ILE CG2 C 13 17.377 0.300 . 1 . . . . 93 ILE CG2 . 10328 1 1054 . 1 1 93 93 ILE N N 15 119.306 0.300 . 1 . . . . 93 ILE N . 10328 1 1055 . 1 1 94 94 PRO HA H 1 4.059 0.030 . 1 . . . . 94 PRO HA . 10328 1 1056 . 1 1 94 94 PRO HB2 H 1 1.747 0.030 . 2 . . . . 94 PRO HB2 . 10328 1 1057 . 1 1 94 94 PRO HB3 H 1 1.982 0.030 . 2 . . . . 94 PRO HB3 . 10328 1 1058 . 1 1 94 94 PRO HD2 H 1 4.344 0.030 . 2 . . . . 94 PRO HD2 . 10328 1 1059 . 1 1 94 94 PRO HD3 H 1 3.617 0.030 . 2 . . . . 94 PRO HD3 . 10328 1 1060 . 1 1 94 94 PRO HG2 H 1 2.254 0.030 . 2 . . . . 94 PRO HG2 . 10328 1 1061 . 1 1 94 94 PRO HG3 H 1 1.848 0.030 . 2 . . . . 94 PRO HG3 . 10328 1 1062 . 1 1 94 94 PRO C C 13 176.485 0.300 . 1 . . . . 94 PRO C . 10328 1 1063 . 1 1 94 94 PRO CA C 13 64.704 0.300 . 1 . . . . 94 PRO CA . 10328 1 1064 . 1 1 94 94 PRO CB C 13 31.161 0.300 . 1 . . . . 94 PRO CB . 10328 1 1065 . 1 1 94 94 PRO CD C 13 51.364 0.300 . 1 . . . . 94 PRO CD . 10328 1 1066 . 1 1 94 94 PRO CG C 13 28.508 0.300 . 1 . . . . 94 PRO CG . 10328 1 1067 . 1 1 95 95 TYR H H 1 8.016 0.030 . 1 . . . . 95 TYR H . 10328 1 1068 . 1 1 95 95 TYR HA H 1 3.584 0.030 . 1 . . . . 95 TYR HA . 10328 1 1069 . 1 1 95 95 TYR HB2 H 1 2.794 0.030 . 2 . . . . 95 TYR HB2 . 10328 1 1070 . 1 1 95 95 TYR HB3 H 1 3.476 0.030 . 2 . . . . 95 TYR HB3 . 10328 1 1071 . 1 1 95 95 TYR HD1 H 1 7.098 0.030 . 1 . . . . 95 TYR HD1 . 10328 1 1072 . 1 1 95 95 TYR HD2 H 1 7.098 0.030 . 1 . . . . 95 TYR HD2 . 10328 1 1073 . 1 1 95 95 TYR HE1 H 1 6.884 0.030 . 1 . . . . 95 TYR HE1 . 10328 1 1074 . 1 1 95 95 TYR HE2 H 1 6.884 0.030 . 1 . . . . 95 TYR HE2 . 10328 1 1075 . 1 1 95 95 TYR C C 13 172.601 0.300 . 1 . . . . 95 TYR C . 10328 1 1076 . 1 1 95 95 TYR CA C 13 60.969 0.300 . 1 . . . . 95 TYR CA . 10328 1 1077 . 1 1 95 95 TYR CB C 13 35.393 0.300 . 1 . . . . 95 TYR CB . 10328 1 1078 . 1 1 95 95 TYR CD1 C 13 132.986 0.300 . 1 . . . . 95 TYR CD1 . 10328 1 1079 . 1 1 95 95 TYR CD2 C 13 132.986 0.300 . 1 . . . . 95 TYR CD2 . 10328 1 1080 . 1 1 95 95 TYR CE1 C 13 118.059 0.300 . 1 . . . . 95 TYR CE1 . 10328 1 1081 . 1 1 95 95 TYR CE2 C 13 118.059 0.300 . 1 . . . . 95 TYR CE2 . 10328 1 1082 . 1 1 95 95 TYR N N 15 113.862 0.300 . 1 . . . . 95 TYR N . 10328 1 1083 . 1 1 96 96 SER H H 1 7.008 0.030 . 1 . . . . 96 SER H . 10328 1 1084 . 1 1 96 96 SER HA H 1 4.288 0.030 . 1 . . . . 96 SER HA . 10328 1 1085 . 1 1 96 96 SER HB2 H 1 3.659 0.030 . 2 . . . . 96 SER HB2 . 10328 1 1086 . 1 1 96 96 SER HB3 H 1 4.267 0.030 . 2 . . . . 96 SER HB3 . 10328 1 1087 . 1 1 96 96 SER C C 13 174.098 0.300 . 1 . . . . 96 SER C . 10328 1 1088 . 1 1 96 96 SER CA C 13 55.120 0.300 . 1 . . . . 96 SER CA . 10328 1 1089 . 1 1 96 96 SER CB C 13 64.377 0.300 . 1 . . . . 96 SER CB . 10328 1 1090 . 1 1 96 96 SER N N 15 111.622 0.300 . 1 . . . . 96 SER N . 10328 1 1091 . 1 1 97 97 PRO HA H 1 5.454 0.030 . 1 . . . . 97 PRO HA . 10328 1 1092 . 1 1 97 97 PRO HB2 H 1 1.497 0.030 . 2 . . . . 97 PRO HB2 . 10328 1 1093 . 1 1 97 97 PRO HB3 H 1 2.225 0.030 . 2 . . . . 97 PRO HB3 . 10328 1 1094 . 1 1 97 97 PRO HD2 H 1 3.457 0.030 . 2 . . . . 97 PRO HD2 . 10328 1 1095 . 1 1 97 97 PRO HD3 H 1 3.573 0.030 . 2 . . . . 97 PRO HD3 . 10328 1 1096 . 1 1 97 97 PRO HG2 H 1 1.781 0.030 . 2 . . . . 97 PRO HG2 . 10328 1 1097 . 1 1 97 97 PRO HG3 H 1 1.884 0.030 . 2 . . . . 97 PRO HG3 . 10328 1 1098 . 1 1 97 97 PRO C C 13 176.001 0.300 . 1 . . . . 97 PRO C . 10328 1 1099 . 1 1 97 97 PRO CA C 13 61.965 0.300 . 1 . . . . 97 PRO CA . 10328 1 1100 . 1 1 97 97 PRO CB C 13 33.707 0.300 . 1 . . . . 97 PRO CB . 10328 1 1101 . 1 1 97 97 PRO CD C 13 50.466 0.300 . 1 . . . . 97 PRO CD . 10328 1 1102 . 1 1 97 97 PRO CG C 13 24.399 0.300 . 1 . . . . 97 PRO CG . 10328 1 1103 . 1 1 98 98 PHE H H 1 9.446 0.030 . 1 . . . . 98 PHE H . 10328 1 1104 . 1 1 98 98 PHE HA H 1 4.547 0.030 . 1 . . . . 98 PHE HA . 10328 1 1105 . 1 1 98 98 PHE HB2 H 1 2.799 0.030 . 2 . . . . 98 PHE HB2 . 10328 1 1106 . 1 1 98 98 PHE HB3 H 1 2.749 0.030 . 2 . . . . 98 PHE HB3 . 10328 1 1107 . 1 1 98 98 PHE HD1 H 1 7.209 0.030 . 1 . . . . 98 PHE HD1 . 10328 1 1108 . 1 1 98 98 PHE HD2 H 1 7.209 0.030 . 1 . . . . 98 PHE HD2 . 10328 1 1109 . 1 1 98 98 PHE HE1 H 1 7.099 0.030 . 1 . . . . 98 PHE HE1 . 10328 1 1110 . 1 1 98 98 PHE HE2 H 1 7.099 0.030 . 1 . . . . 98 PHE HE2 . 10328 1 1111 . 1 1 98 98 PHE HZ H 1 7.267 0.030 . 1 . . . . 98 PHE HZ . 10328 1 1112 . 1 1 98 98 PHE C C 13 175.845 0.300 . 1 . . . . 98 PHE C . 10328 1 1113 . 1 1 98 98 PHE CA C 13 57.101 0.300 . 1 . . . . 98 PHE CA . 10328 1 1114 . 1 1 98 98 PHE CB C 13 40.591 0.300 . 1 . . . . 98 PHE CB . 10328 1 1115 . 1 1 98 98 PHE CD1 C 13 132.169 0.300 . 1 . . . . 98 PHE CD1 . 10328 1 1116 . 1 1 98 98 PHE CD2 C 13 132.169 0.300 . 1 . . . . 98 PHE CD2 . 10328 1 1117 . 1 1 98 98 PHE CE1 C 13 130.797 0.300 . 1 . . . . 98 PHE CE1 . 10328 1 1118 . 1 1 98 98 PHE CE2 C 13 130.797 0.300 . 1 . . . . 98 PHE CE2 . 10328 1 1119 . 1 1 98 98 PHE CZ C 13 130.021 0.300 . 1 . . . . 98 PHE CZ . 10328 1 1120 . 1 1 98 98 PHE N N 15 122.188 0.300 . 1 . . . . 98 PHE N . 10328 1 1121 . 1 1 99 99 ARG H H 1 8.890 0.030 . 1 . . . . 99 ARG H . 10328 1 1122 . 1 1 99 99 ARG HA H 1 5.280 0.030 . 1 . . . . 99 ARG HA . 10328 1 1123 . 1 1 99 99 ARG HB2 H 1 1.432 0.030 . 2 . . . . 99 ARG HB2 . 10328 1 1124 . 1 1 99 99 ARG HB3 H 1 1.840 0.030 . 2 . . . . 99 ARG HB3 . 10328 1 1125 . 1 1 99 99 ARG HD2 H 1 3.090 0.030 . 1 . . . . 99 ARG HD2 . 10328 1 1126 . 1 1 99 99 ARG HD3 H 1 3.090 0.030 . 1 . . . . 99 ARG HD3 . 10328 1 1127 . 1 1 99 99 ARG HG2 H 1 1.477 0.030 . 2 . . . . 99 ARG HG2 . 10328 1 1128 . 1 1 99 99 ARG HG3 H 1 1.564 0.030 . 2 . . . . 99 ARG HG3 . 10328 1 1129 . 1 1 99 99 ARG C C 13 174.953 0.300 . 1 . . . . 99 ARG C . 10328 1 1130 . 1 1 99 99 ARG CA C 13 54.992 0.300 . 1 . . . . 99 ARG CA . 10328 1 1131 . 1 1 99 99 ARG CB C 13 30.332 0.300 . 1 . . . . 99 ARG CB . 10328 1 1132 . 1 1 99 99 ARG CD C 13 43.384 0.300 . 1 . . . . 99 ARG CD . 10328 1 1133 . 1 1 99 99 ARG CG C 13 27.954 0.300 . 1 . . . . 99 ARG CG . 10328 1 1134 . 1 1 99 99 ARG N N 15 124.405 0.300 . 1 . . . . 99 ARG N . 10328 1 1135 . 1 1 100 100 ILE H H 1 8.632 0.030 . 1 . . . . 100 ILE H . 10328 1 1136 . 1 1 100 100 ILE HA H 1 4.617 0.030 . 1 . . . . 100 ILE HA . 10328 1 1137 . 1 1 100 100 ILE HB H 1 1.914 0.030 . 1 . . . . 100 ILE HB . 10328 1 1138 . 1 1 100 100 ILE HD11 H 1 0.574 0.030 . 1 . . . . 100 ILE HD1 . 10328 1 1139 . 1 1 100 100 ILE HD12 H 1 0.574 0.030 . 1 . . . . 100 ILE HD1 . 10328 1 1140 . 1 1 100 100 ILE HD13 H 1 0.574 0.030 . 1 . . . . 100 ILE HD1 . 10328 1 1141 . 1 1 100 100 ILE HG12 H 1 1.369 0.030 . 1 . . . . 100 ILE HG12 . 10328 1 1142 . 1 1 100 100 ILE HG13 H 1 1.369 0.030 . 1 . . . . 100 ILE HG13 . 10328 1 1143 . 1 1 100 100 ILE HG21 H 1 0.826 0.030 . 1 . . . . 100 ILE HG2 . 10328 1 1144 . 1 1 100 100 ILE HG22 H 1 0.826 0.030 . 1 . . . . 100 ILE HG2 . 10328 1 1145 . 1 1 100 100 ILE HG23 H 1 0.826 0.030 . 1 . . . . 100 ILE HG2 . 10328 1 1146 . 1 1 100 100 ILE C C 13 174.830 0.300 . 1 . . . . 100 ILE C . 10328 1 1147 . 1 1 100 100 ILE CA C 13 57.455 0.300 . 1 . . . . 100 ILE CA . 10328 1 1148 . 1 1 100 100 ILE CB C 13 39.902 0.300 . 1 . . . . 100 ILE CB . 10328 1 1149 . 1 1 100 100 ILE CD1 C 13 11.215 0.300 . 1 . . . . 100 ILE CD1 . 10328 1 1150 . 1 1 100 100 ILE CG1 C 13 26.758 0.300 . 1 . . . . 100 ILE CG1 . 10328 1 1151 . 1 1 100 100 ILE CG2 C 13 17.884 0.300 . 1 . . . . 100 ILE CG2 . 10328 1 1152 . 1 1 100 100 ILE N N 15 125.945 0.300 . 1 . . . . 100 ILE N . 10328 1 1153 . 1 1 101 101 HIS H H 1 9.034 0.030 . 1 . . . . 101 HIS H . 10328 1 1154 . 1 1 101 101 HIS HA H 1 5.028 0.030 . 1 . . . . 101 HIS HA . 10328 1 1155 . 1 1 101 101 HIS HB2 H 1 3.008 0.030 . 2 . . . . 101 HIS HB2 . 10328 1 1156 . 1 1 101 101 HIS HB3 H 1 2.909 0.030 . 2 . . . . 101 HIS HB3 . 10328 1 1157 . 1 1 101 101 HIS HD2 H 1 6.807 0.030 . 1 . . . . 101 HIS HD2 . 10328 1 1158 . 1 1 101 101 HIS HE1 H 1 7.697 0.030 . 1 . . . . 101 HIS HE1 . 10328 1 1159 . 1 1 101 101 HIS C C 13 173.532 0.300 . 1 . . . . 101 HIS C . 10328 1 1160 . 1 1 101 101 HIS CA C 13 55.615 0.300 . 1 . . . . 101 HIS CA . 10328 1 1161 . 1 1 101 101 HIS CB C 13 31.944 0.300 . 1 . . . . 101 HIS CB . 10328 1 1162 . 1 1 101 101 HIS CD2 C 13 120.378 0.300 . 1 . . . . 101 HIS CD2 . 10328 1 1163 . 1 1 101 101 HIS CE1 C 13 138.267 0.300 . 1 . . . . 101 HIS CE1 . 10328 1 1164 . 1 1 101 101 HIS N N 15 126.896 0.300 . 1 . . . . 101 HIS N . 10328 1 1165 . 1 1 102 102 ALA H H 1 9.406 0.030 . 1 . . . . 102 ALA H . 10328 1 1166 . 1 1 102 102 ALA HA H 1 5.476 0.030 . 1 . . . . 102 ALA HA . 10328 1 1167 . 1 1 102 102 ALA HB1 H 1 1.487 0.030 . 1 . . . . 102 ALA HB . 10328 1 1168 . 1 1 102 102 ALA HB2 H 1 1.487 0.030 . 1 . . . . 102 ALA HB . 10328 1 1169 . 1 1 102 102 ALA HB3 H 1 1.487 0.030 . 1 . . . . 102 ALA HB . 10328 1 1170 . 1 1 102 102 ALA C C 13 177.347 0.300 . 1 . . . . 102 ALA C . 10328 1 1171 . 1 1 102 102 ALA CA C 13 49.885 0.300 . 1 . . . . 102 ALA CA . 10328 1 1172 . 1 1 102 102 ALA CB C 13 20.371 0.300 . 1 . . . . 102 ALA CB . 10328 1 1173 . 1 1 102 102 ALA N N 15 128.244 0.300 . 1 . . . . 102 ALA N . 10328 1 1174 . 1 1 103 103 LEU H H 1 9.338 0.030 . 1 . . . . 103 LEU H . 10328 1 1175 . 1 1 103 103 LEU HA H 1 4.644 0.030 . 1 . . . . 103 LEU HA . 10328 1 1176 . 1 1 103 103 LEU HB2 H 1 1.561 0.030 . 1 . . . . 103 LEU HB2 . 10328 1 1177 . 1 1 103 103 LEU HB3 H 1 1.561 0.030 . 1 . . . . 103 LEU HB3 . 10328 1 1178 . 1 1 103 103 LEU HD11 H 1 0.852 0.030 . 1 . . . . 103 LEU HD1 . 10328 1 1179 . 1 1 103 103 LEU HD12 H 1 0.852 0.030 . 1 . . . . 103 LEU HD1 . 10328 1 1180 . 1 1 103 103 LEU HD13 H 1 0.852 0.030 . 1 . . . . 103 LEU HD1 . 10328 1 1181 . 1 1 103 103 LEU HD21 H 1 0.803 0.030 . 1 . . . . 103 LEU HD2 . 10328 1 1182 . 1 1 103 103 LEU HD22 H 1 0.803 0.030 . 1 . . . . 103 LEU HD2 . 10328 1 1183 . 1 1 103 103 LEU HD23 H 1 0.803 0.030 . 1 . . . . 103 LEU HD2 . 10328 1 1184 . 1 1 103 103 LEU HG H 1 1.605 0.030 . 1 . . . . 103 LEU HG . 10328 1 1185 . 1 1 103 103 LEU C C 13 174.657 0.300 . 1 . . . . 103 LEU C . 10328 1 1186 . 1 1 103 103 LEU CA C 13 52.679 0.300 . 1 . . . . 103 LEU CA . 10328 1 1187 . 1 1 103 103 LEU CB C 13 42.352 0.300 . 1 . . . . 103 LEU CB . 10328 1 1188 . 1 1 103 103 LEU CD1 C 13 25.239 0.300 . 2 . . . . 103 LEU CD1 . 10328 1 1189 . 1 1 103 103 LEU CD2 C 13 23.057 0.300 . 2 . . . . 103 LEU CD2 . 10328 1 1190 . 1 1 103 103 LEU CG C 13 27.372 0.300 . 1 . . . . 103 LEU CG . 10328 1 1191 . 1 1 103 103 LEU N N 15 127.040 0.300 . 1 . . . . 103 LEU N . 10328 1 1192 . 1 1 104 104 PRO HA H 1 4.598 0.030 . 1 . . . . 104 PRO HA . 10328 1 1193 . 1 1 104 104 PRO HB2 H 1 1.990 0.030 . 2 . . . . 104 PRO HB2 . 10328 1 1194 . 1 1 104 104 PRO HB3 H 1 2.298 0.030 . 2 . . . . 104 PRO HB3 . 10328 1 1195 . 1 1 104 104 PRO HD2 H 1 3.896 0.030 . 2 . . . . 104 PRO HD2 . 10328 1 1196 . 1 1 104 104 PRO HD3 H 1 3.693 0.030 . 2 . . . . 104 PRO HD3 . 10328 1 1197 . 1 1 104 104 PRO HG2 H 1 2.083 0.030 . 1 . . . . 104 PRO HG2 . 10328 1 1198 . 1 1 104 104 PRO HG3 H 1 2.083 0.030 . 1 . . . . 104 PRO HG3 . 10328 1 1199 . 1 1 104 104 PRO C C 13 177.158 0.300 . 1 . . . . 104 PRO C . 10328 1 1200 . 1 1 104 104 PRO CA C 13 62.867 0.300 . 1 . . . . 104 PRO CA . 10328 1 1201 . 1 1 104 104 PRO CB C 13 31.993 0.300 . 1 . . . . 104 PRO CB . 10328 1 1202 . 1 1 104 104 PRO CD C 13 50.458 0.300 . 1 . . . . 104 PRO CD . 10328 1 1203 . 1 1 104 104 PRO CG C 13 27.580 0.300 . 1 . . . . 104 PRO CG . 10328 1 1204 . 1 1 105 105 THR H H 1 8.381 0.030 . 1 . . . . 105 THR H . 10328 1 1205 . 1 1 105 105 THR HA H 1 4.324 0.030 . 1 . . . . 105 THR HA . 10328 1 1206 . 1 1 105 105 THR HB H 1 4.207 0.030 . 1 . . . . 105 THR HB . 10328 1 1207 . 1 1 105 105 THR HG21 H 1 1.250 0.030 . 1 . . . . 105 THR HG2 . 10328 1 1208 . 1 1 105 105 THR HG22 H 1 1.250 0.030 . 1 . . . . 105 THR HG2 . 10328 1 1209 . 1 1 105 105 THR HG23 H 1 1.250 0.030 . 1 . . . . 105 THR HG2 . 10328 1 1210 . 1 1 105 105 THR C C 13 175.320 0.300 . 1 . . . . 105 THR C . 10328 1 1211 . 1 1 105 105 THR CA C 13 62.088 0.300 . 1 . . . . 105 THR CA . 10328 1 1212 . 1 1 105 105 THR CB C 13 70.002 0.300 . 1 . . . . 105 THR CB . 10328 1 1213 . 1 1 105 105 THR CG2 C 13 21.773 0.300 . 1 . . . . 105 THR CG2 . 10328 1 1214 . 1 1 105 105 THR N N 15 114.964 0.300 . 1 . . . . 105 THR N . 10328 1 1215 . 1 1 106 106 GLY H H 1 8.440 0.030 . 1 . . . . 106 GLY H . 10328 1 1216 . 1 1 106 106 GLY HA2 H 1 3.966 0.030 . 1 . . . . 106 GLY HA2 . 10328 1 1217 . 1 1 106 106 GLY HA3 H 1 3.966 0.030 . 1 . . . . 106 GLY HA3 . 10328 1 1218 . 1 1 106 106 GLY C C 13 173.888 0.300 . 1 . . . . 106 GLY C . 10328 1 1219 . 1 1 106 106 GLY CA C 13 45.321 0.300 . 1 . . . . 106 GLY CA . 10328 1 1220 . 1 1 106 106 GLY N N 15 111.215 0.300 . 1 . . . . 106 GLY N . 10328 1 1221 . 1 1 107 107 ASP H H 1 8.252 0.030 . 1 . . . . 107 ASP H . 10328 1 1222 . 1 1 107 107 ASP HA H 1 4.588 0.030 . 1 . . . . 107 ASP HA . 10328 1 1223 . 1 1 107 107 ASP HB2 H 1 2.688 0.030 . 2 . . . . 107 ASP HB2 . 10328 1 1224 . 1 1 107 107 ASP HB3 H 1 2.623 0.030 . 2 . . . . 107 ASP HB3 . 10328 1 1225 . 1 1 107 107 ASP C C 13 176.336 0.300 . 1 . . . . 107 ASP C . 10328 1 1226 . 1 1 107 107 ASP CA C 13 54.271 0.300 . 1 . . . . 107 ASP CA . 10328 1 1227 . 1 1 107 107 ASP CB C 13 41.439 0.300 . 1 . . . . 107 ASP CB . 10328 1 1228 . 1 1 107 107 ASP N N 15 120.753 0.300 . 1 . . . . 107 ASP N . 10328 1 1229 . 1 1 108 108 ALA H H 1 8.382 0.030 . 1 . . . . 108 ALA H . 10328 1 1230 . 1 1 108 108 ALA HA H 1 4.334 0.030 . 1 . . . . 108 ALA HA . 10328 1 1231 . 1 1 108 108 ALA HB1 H 1 1.404 0.030 . 1 . . . . 108 ALA HB . 10328 1 1232 . 1 1 108 108 ALA HB2 H 1 1.404 0.030 . 1 . . . . 108 ALA HB . 10328 1 1233 . 1 1 108 108 ALA HB3 H 1 1.404 0.030 . 1 . . . . 108 ALA HB . 10328 1 1234 . 1 1 108 108 ALA C C 13 178.071 0.300 . 1 . . . . 108 ALA C . 10328 1 1235 . 1 1 108 108 ALA CA C 13 52.785 0.300 . 1 . . . . 108 ALA CA . 10328 1 1236 . 1 1 108 108 ALA CB C 13 19.047 0.300 . 1 . . . . 108 ALA CB . 10328 1 1237 . 1 1 108 108 ALA N N 15 124.839 0.300 . 1 . . . . 108 ALA N . 10328 1 1238 . 1 1 109 109 SER H H 1 8.358 0.030 . 1 . . . . 109 SER H . 10328 1 1239 . 1 1 109 109 SER HA H 1 4.429 0.030 . 1 . . . . 109 SER HA . 10328 1 1240 . 1 1 109 109 SER HB2 H 1 3.891 0.030 . 1 . . . . 109 SER HB2 . 10328 1 1241 . 1 1 109 109 SER HB3 H 1 3.891 0.030 . 1 . . . . 109 SER HB3 . 10328 1 1242 . 1 1 109 109 SER C C 13 174.759 0.300 . 1 . . . . 109 SER C . 10328 1 1243 . 1 1 109 109 SER CA C 13 58.763 0.300 . 1 . . . . 109 SER CA . 10328 1 1244 . 1 1 109 109 SER CB C 13 63.730 0.300 . 1 . . . . 109 SER CB . 10328 1 1245 . 1 1 109 109 SER N N 15 114.983 0.300 . 1 . . . . 109 SER N . 10328 1 1246 . 1 1 110 110 SER H H 1 8.239 0.030 . 1 . . . . 110 SER H . 10328 1 1247 . 1 1 110 110 SER HA H 1 4.507 0.030 . 1 . . . . 110 SER HA . 10328 1 1248 . 1 1 110 110 SER HB2 H 1 3.884 0.030 . 1 . . . . 110 SER HB2 . 10328 1 1249 . 1 1 110 110 SER HB3 H 1 3.884 0.030 . 1 . . . . 110 SER HB3 . 10328 1 1250 . 1 1 110 110 SER C C 13 174.532 0.300 . 1 . . . . 110 SER C . 10328 1 1251 . 1 1 110 110 SER CA C 13 58.374 0.300 . 1 . . . . 110 SER CA . 10328 1 1252 . 1 1 110 110 SER CB C 13 63.894 0.300 . 1 . . . . 110 SER CB . 10328 1 1253 . 1 1 110 110 SER N N 15 117.438 0.300 . 1 . . . . 110 SER N . 10328 1 1254 . 1 1 111 111 GLY H H 1 8.185 0.030 . 1 . . . . 111 GLY H . 10328 1 1255 . 1 1 111 111 GLY HA2 H 1 4.148 0.030 . 2 . . . . 111 GLY HA2 . 10328 1 1256 . 1 1 111 111 GLY HA3 H 1 4.092 0.030 . 2 . . . . 111 GLY HA3 . 10328 1 1257 . 1 1 111 111 GLY C C 13 171.766 0.300 . 1 . . . . 111 GLY C . 10328 1 1258 . 1 1 111 111 GLY CA C 13 44.649 0.300 . 1 . . . . 111 GLY CA . 10328 1 1259 . 1 1 111 111 GLY N N 15 110.558 0.300 . 1 . . . . 111 GLY N . 10328 1 1260 . 1 1 112 112 PRO HA H 1 4.464 0.030 . 1 . . . . 112 PRO HA . 10328 1 1261 . 1 1 112 112 PRO HB2 H 1 1.965 0.030 . 2 . . . . 112 PRO HB2 . 10328 1 1262 . 1 1 112 112 PRO HB3 H 1 2.272 0.030 . 2 . . . . 112 PRO HB3 . 10328 1 1263 . 1 1 112 112 PRO HD2 H 1 3.617 0.030 . 1 . . . . 112 PRO HD2 . 10328 1 1264 . 1 1 112 112 PRO HD3 H 1 3.617 0.030 . 1 . . . . 112 PRO HD3 . 10328 1 1265 . 1 1 112 112 PRO HG2 H 1 2.006 0.030 . 1 . . . . 112 PRO HG2 . 10328 1 1266 . 1 1 112 112 PRO HG3 H 1 2.006 0.030 . 1 . . . . 112 PRO HG3 . 10328 1 1267 . 1 1 112 112 PRO C C 13 177.410 0.300 . 1 . . . . 112 PRO C . 10328 1 1268 . 1 1 112 112 PRO CA C 13 63.185 0.300 . 1 . . . . 112 PRO CA . 10328 1 1269 . 1 1 112 112 PRO CB C 13 32.323 0.300 . 1 . . . . 112 PRO CB . 10328 1 1270 . 1 1 112 112 PRO CD C 13 49.799 0.300 . 1 . . . . 112 PRO CD . 10328 1 1271 . 1 1 112 112 PRO CG C 13 27.138 0.300 . 1 . . . . 112 PRO CG . 10328 1 1272 . 1 1 113 113 SER H H 1 8.535 0.030 . 1 . . . . 113 SER H . 10328 1 1273 . 1 1 113 113 SER HA H 1 4.533 0.030 . 1 . . . . 113 SER HA . 10328 1 1274 . 1 1 113 113 SER HB2 H 1 3.883 0.030 . 1 . . . . 113 SER HB2 . 10328 1 1275 . 1 1 113 113 SER HB3 H 1 3.883 0.030 . 1 . . . . 113 SER HB3 . 10328 1 1276 . 1 1 113 113 SER C C 13 174.739 0.300 . 1 . . . . 113 SER C . 10328 1 1277 . 1 1 113 113 SER CA C 13 58.233 0.300 . 1 . . . . 113 SER CA . 10328 1 1278 . 1 1 113 113 SER CB C 13 63.730 0.300 . 1 . . . . 113 SER CB . 10328 1 1279 . 1 1 113 113 SER N N 15 116.537 0.300 . 1 . . . . 113 SER N . 10328 1 1280 . 1 1 114 114 SER H H 1 8.490 0.030 . 1 . . . . 114 SER H . 10328 1 1281 . 1 1 114 114 SER HA H 1 4.534 0.030 . 1 . . . . 114 SER HA . 10328 1 1282 . 1 1 114 114 SER HB2 H 1 3.892 0.030 . 1 . . . . 114 SER HB2 . 10328 1 1283 . 1 1 114 114 SER HB3 H 1 3.892 0.030 . 1 . . . . 114 SER HB3 . 10328 1 1284 . 1 1 114 114 SER C C 13 174.899 0.300 . 1 . . . . 114 SER C . 10328 1 1285 . 1 1 114 114 SER CA C 13 58.516 0.300 . 1 . . . . 114 SER CA . 10328 1 1286 . 1 1 114 114 SER CB C 13 64.142 0.300 . 1 . . . . 114 SER CB . 10328 1 1287 . 1 1 114 114 SER N N 15 117.902 0.300 . 1 . . . . 114 SER N . 10328 1 1288 . 1 1 115 115 GLY H H 1 8.049 0.030 . 1 . . . . 115 GLY H . 10328 1 1289 . 1 1 115 115 GLY HA2 H 1 3.785 0.030 . 2 . . . . 115 GLY HA2 . 10328 1 1290 . 1 1 115 115 GLY HA3 H 1 3.744 0.030 . 2 . . . . 115 GLY HA3 . 10328 1 1291 . 1 1 115 115 GLY C C 13 179.077 0.300 . 1 . . . . 115 GLY C . 10328 1 1292 . 1 1 115 115 GLY CA C 13 46.184 0.300 . 1 . . . . 115 GLY CA . 10328 1 1293 . 1 1 115 115 GLY N N 15 116.880 0.300 . 1 . . . . 115 GLY N . 10328 1 stop_ save_