data_10162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10162 _Entry.Title ; Solution structure of the 23th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-28 _Entry.Accession_date 2008-01-06 _Entry.Last_release_date 2009-02-20 _Entry.Original_release_date 2009-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10162 2 S. Koshiba . . . 10162 3 S. Watanabe . . . 10162 4 T. Harada . . . 10162 5 T. Kigawa . . . 10162 6 S. Yokoyama . . . 10162 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' 10162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 10162 '15N chemical shifts' 100 10162 '1H chemical shifts' 730 10162 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-20 2007-12-28 original author . 10162 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EEC 'BMRB Entry Tracking System' 10162 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10162 _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 23th filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10162 1 2 S. Koshiba . . . 10162 1 3 S. Watanabe . . . 10162 1 4 T. Harada . . . 10162 1 5 T. Kigawa . . . 10162 1 6 S. Yokoyama . . . 10162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10162 _Assembly.ID 1 _Assembly.Name Filamin-B _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Filamin-B 1 $entity_1 . . yes native no no . . . 10162 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 2EEC . . . . . . 10162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain, Filamin 23' _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 ; GSSGSSGFKVRVGEPGQAGN PALVSAYGTGLEGGTTGIQS EFFINTTRAGPGTLSVTIEG PSKVKMDCQETPEGYKVMYT PMAPGNYLISVKYGGPNHIV GSPFKAKVTGQRLVSPGSAN ETSSI ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2EEC . "Solution Structure Of The 23th Filamin Domain From Human Filamin-B" . . . . . 100.00 125 100.00 100.00 5.41e-82 . . . . 10162 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain, Filamin 23' . 10162 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 . 10162 1 2 . SER . 10162 1 3 . SER . 10162 1 4 . GLY . 10162 1 5 . SER . 10162 1 6 . SER . 10162 1 7 . GLY . 10162 1 8 . PHE . 10162 1 9 . LYS . 10162 1 10 . VAL . 10162 1 11 . ARG . 10162 1 12 . VAL . 10162 1 13 . GLY . 10162 1 14 . GLU . 10162 1 15 . PRO . 10162 1 16 . GLY . 10162 1 17 . GLN . 10162 1 18 . ALA . 10162 1 19 . GLY . 10162 1 20 . ASN . 10162 1 21 . PRO . 10162 1 22 . ALA . 10162 1 23 . LEU . 10162 1 24 . VAL . 10162 1 25 . SER . 10162 1 26 . ALA . 10162 1 27 . TYR . 10162 1 28 . GLY . 10162 1 29 . THR . 10162 1 30 . GLY . 10162 1 31 . LEU . 10162 1 32 . GLU . 10162 1 33 . GLY . 10162 1 34 . GLY . 10162 1 35 . THR . 10162 1 36 . THR . 10162 1 37 . GLY . 10162 1 38 . ILE . 10162 1 39 . GLN . 10162 1 40 . SER . 10162 1 41 . GLU . 10162 1 42 . PHE . 10162 1 43 . PHE . 10162 1 44 . ILE . 10162 1 45 . ASN . 10162 1 46 . THR . 10162 1 47 . THR . 10162 1 48 . ARG . 10162 1 49 . ALA . 10162 1 50 . GLY . 10162 1 51 . PRO . 10162 1 52 . GLY . 10162 1 53 . THR . 10162 1 54 . LEU . 10162 1 55 . SER . 10162 1 56 . VAL . 10162 1 57 . THR . 10162 1 58 . ILE . 10162 1 59 . GLU . 10162 1 60 . GLY . 10162 1 61 . PRO . 10162 1 62 . SER . 10162 1 63 . LYS . 10162 1 64 . VAL . 10162 1 65 . LYS . 10162 1 66 . MET . 10162 1 67 . ASP . 10162 1 68 . CYS . 10162 1 69 . GLN . 10162 1 70 . GLU . 10162 1 71 . THR . 10162 1 72 . PRO . 10162 1 73 . GLU . 10162 1 74 . GLY . 10162 1 75 . TYR . 10162 1 76 . LYS . 10162 1 77 . VAL . 10162 1 78 . MET . 10162 1 79 . TYR . 10162 1 80 . THR . 10162 1 81 . PRO . 10162 1 82 . MET . 10162 1 83 . ALA . 10162 1 84 . PRO . 10162 1 85 . GLY . 10162 1 86 . ASN . 10162 1 87 . TYR . 10162 1 88 . LEU . 10162 1 89 . ILE . 10162 1 90 . SER . 10162 1 91 . VAL . 10162 1 92 . LYS . 10162 1 93 . TYR . 10162 1 94 . GLY . 10162 1 95 . GLY . 10162 1 96 . PRO . 10162 1 97 . ASN . 10162 1 98 . HIS . 10162 1 99 . ILE . 10162 1 100 . VAL . 10162 1 101 . GLY . 10162 1 102 . SER . 10162 1 103 . PRO . 10162 1 104 . PHE . 10162 1 105 . LYS . 10162 1 106 . ALA . 10162 1 107 . LYS . 10162 1 108 . VAL . 10162 1 109 . THR . 10162 1 110 . GLY . 10162 1 111 . GLN . 10162 1 112 . ARG . 10162 1 113 . LEU . 10162 1 114 . VAL . 10162 1 115 . SER . 10162 1 116 . PRO . 10162 1 117 . GLY . 10162 1 118 . SER . 10162 1 119 . ALA . 10162 1 120 . ASN . 10162 1 121 . GLU . 10162 1 122 . THR . 10162 1 123 . SER . 10162 1 124 . SER . 10162 1 125 . ILE . 10162 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 10162 1 . SER 2 2 10162 1 . SER 3 3 10162 1 . GLY 4 4 10162 1 . SER 5 5 10162 1 . SER 6 6 10162 1 . GLY 7 7 10162 1 . PHE 8 8 10162 1 . LYS 9 9 10162 1 . VAL 10 10 10162 1 . ARG 11 11 10162 1 . VAL 12 12 10162 1 . GLY 13 13 10162 1 . GLU 14 14 10162 1 . PRO 15 15 10162 1 . GLY 16 16 10162 1 . GLN 17 17 10162 1 . ALA 18 18 10162 1 . GLY 19 19 10162 1 . ASN 20 20 10162 1 . PRO 21 21 10162 1 . ALA 22 22 10162 1 . LEU 23 23 10162 1 . VAL 24 24 10162 1 . SER 25 25 10162 1 . ALA 26 26 10162 1 . TYR 27 27 10162 1 . GLY 28 28 10162 1 . THR 29 29 10162 1 . GLY 30 30 10162 1 . LEU 31 31 10162 1 . GLU 32 32 10162 1 . GLY 33 33 10162 1 . GLY 34 34 10162 1 . THR 35 35 10162 1 . THR 36 36 10162 1 . GLY 37 37 10162 1 . ILE 38 38 10162 1 . GLN 39 39 10162 1 . SER 40 40 10162 1 . GLU 41 41 10162 1 . PHE 42 42 10162 1 . PHE 43 43 10162 1 . ILE 44 44 10162 1 . ASN 45 45 10162 1 . THR 46 46 10162 1 . THR 47 47 10162 1 . ARG 48 48 10162 1 . ALA 49 49 10162 1 . GLY 50 50 10162 1 . PRO 51 51 10162 1 . GLY 52 52 10162 1 . THR 53 53 10162 1 . LEU 54 54 10162 1 . SER 55 55 10162 1 . VAL 56 56 10162 1 . THR 57 57 10162 1 . ILE 58 58 10162 1 . GLU 59 59 10162 1 . GLY 60 60 10162 1 . PRO 61 61 10162 1 . SER 62 62 10162 1 . LYS 63 63 10162 1 . VAL 64 64 10162 1 . LYS 65 65 10162 1 . MET 66 66 10162 1 . ASP 67 67 10162 1 . CYS 68 68 10162 1 . GLN 69 69 10162 1 . GLU 70 70 10162 1 . THR 71 71 10162 1 . PRO 72 72 10162 1 . GLU 73 73 10162 1 . GLY 74 74 10162 1 . TYR 75 75 10162 1 . LYS 76 76 10162 1 . VAL 77 77 10162 1 . MET 78 78 10162 1 . TYR 79 79 10162 1 . THR 80 80 10162 1 . PRO 81 81 10162 1 . MET 82 82 10162 1 . ALA 83 83 10162 1 . PRO 84 84 10162 1 . GLY 85 85 10162 1 . ASN 86 86 10162 1 . TYR 87 87 10162 1 . LEU 88 88 10162 1 . ILE 89 89 10162 1 . SER 90 90 10162 1 . VAL 91 91 10162 1 . LYS 92 92 10162 1 . TYR 93 93 10162 1 . GLY 94 94 10162 1 . GLY 95 95 10162 1 . PRO 96 96 10162 1 . ASN 97 97 10162 1 . HIS 98 98 10162 1 . ILE 99 99 10162 1 . VAL 100 100 10162 1 . GLY 101 101 10162 1 . SER 102 102 10162 1 . PRO 103 103 10162 1 . PHE 104 104 10162 1 . LYS 105 105 10162 1 . ALA 106 106 10162 1 . LYS 107 107 10162 1 . VAL 108 108 10162 1 . THR 109 109 10162 1 . GLY 110 110 10162 1 . GLN 111 111 10162 1 . ARG 112 112 10162 1 . LEU 113 113 10162 1 . VAL 114 114 10162 1 . SER 115 115 10162 1 . PRO 116 116 10162 1 . GLY 117 117 10162 1 . SER 118 118 10162 1 . ALA 119 119 10162 1 . ASN 120 120 10162 1 . GLU 121 121 10162 1 . THR 122 122 10162 1 . SER 123 123 10162 1 . SER 124 124 10162 1 . ILE 125 125 10162 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 10162 _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 . . . . . . . . . . . . . . . . . . . . . 10162 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 10162 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060619-24 . . . . . . 10162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10162 _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 1.14 . . mM . . . . 10162 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10162 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10162 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10162 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10162 1 6 D2O . . . . . . solvent 10 . . % . . . . 10162 1 7 H2O . . . . . . solvent 90 . . % . . . . 10162 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 10162 _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 10162 1 pH 7.0 0.05 pH 10162 1 pressure 1 0.001 atm 10162 1 temperature 296 0.1 K 10162 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10162 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10162 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10162 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10162 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10162 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10162 _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.' . . 10162 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10162 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10162 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10162 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10162 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10162 _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.' . . 10162 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10162 5 'structure solution' 10162 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 10162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10162 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'AVANCE II' . 900 . . . 10162 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 10162 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10162 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10162 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 10162 _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 . . . . . . . . . 10162 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10162 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10162 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 10162 _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 10162 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10162 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 9 9 LYS N N 15 120.806 0.300 . 1 . . . . 9 LYS N . 10162 1 2 . 1 1 9 9 LYS H H 1 8.548 0.030 . 1 . . . . 9 LYS H . 10162 1 3 . 1 1 9 9 LYS CA C 13 56.358 0.300 . 1 . . . . 9 LYS CA . 10162 1 4 . 1 1 9 9 LYS HA H 1 4.261 0.030 . 1 . . . . 9 LYS HA . 10162 1 5 . 1 1 9 9 LYS CB C 13 32.673 0.300 . 1 . . . . 9 LYS CB . 10162 1 6 . 1 1 9 9 LYS HB3 H 1 1.839 0.030 . 2 . . . . 9 LYS HB3 . 10162 1 7 . 1 1 9 9 LYS CG C 13 25.189 0.300 . 1 . . . . 9 LYS CG . 10162 1 8 . 1 1 9 9 LYS HG3 H 1 1.468 0.030 . 2 . . . . 9 LYS HG3 . 10162 1 9 . 1 1 9 9 LYS CD C 13 29.357 0.300 . 1 . . . . 9 LYS CD . 10162 1 10 . 1 1 9 9 LYS HD3 H 1 1.740 0.030 . 1 . . . . 9 LYS HD3 . 10162 1 11 . 1 1 9 9 LYS CE C 13 42.315 0.300 . 1 . . . . 9 LYS CE . 10162 1 12 . 1 1 9 9 LYS HE3 H 1 3.112 0.030 . 1 . . . . 9 LYS HE3 . 10162 1 13 . 1 1 9 9 LYS HB2 H 1 1.694 0.030 . 2 . . . . 9 LYS HB2 . 10162 1 14 . 1 1 9 9 LYS HD2 H 1 1.740 0.030 . 1 . . . . 9 LYS HD2 . 10162 1 15 . 1 1 9 9 LYS HE2 H 1 3.112 0.030 . 1 . . . . 9 LYS HE2 . 10162 1 16 . 1 1 9 9 LYS HG2 H 1 1.297 0.030 . 2 . . . . 9 LYS HG2 . 10162 1 17 . 1 1 10 10 VAL HA H 1 4.307 0.030 . 1 . . . . 10 VAL HA . 10162 1 18 . 1 1 10 10 VAL CB C 13 34.845 0.300 . 1 . . . . 10 VAL CB . 10162 1 19 . 1 1 10 10 VAL HB H 1 1.943 0.030 . 1 . . . . 10 VAL HB . 10162 1 20 . 1 1 10 10 VAL CG1 C 13 20.641 0.300 . 2 . . . . 10 VAL CG1 . 10162 1 21 . 1 1 10 10 VAL HG11 H 1 0.838 0.030 . 1 . . . . 10 VAL HG1 . 10162 1 22 . 1 1 10 10 VAL HG12 H 1 0.838 0.030 . 1 . . . . 10 VAL HG1 . 10162 1 23 . 1 1 10 10 VAL HG13 H 1 0.838 0.030 . 1 . . . . 10 VAL HG1 . 10162 1 24 . 1 1 11 11 ARG N N 15 125.757 0.300 . 1 . . . . 11 ARG N . 10162 1 25 . 1 1 11 11 ARG H H 1 8.546 0.030 . 1 . . . . 11 ARG H . 10162 1 26 . 1 1 11 11 ARG CA C 13 55.966 0.300 . 1 . . . . 11 ARG CA . 10162 1 27 . 1 1 11 11 ARG HA H 1 4.463 0.030 . 1 . . . . 11 ARG HA . 10162 1 28 . 1 1 11 11 ARG CB C 13 30.834 0.300 . 1 . . . . 11 ARG CB . 10162 1 29 . 1 1 11 11 ARG HB3 H 1 1.831 0.030 . 2 . . . . 11 ARG HB3 . 10162 1 30 . 1 1 11 11 ARG CG C 13 27.293 0.300 . 1 . . . . 11 ARG CG . 10162 1 31 . 1 1 11 11 ARG HG3 H 1 1.535 0.030 . 1 . . . . 11 ARG HG3 . 10162 1 32 . 1 1 11 11 ARG CD C 13 43.384 0.300 . 1 . . . . 11 ARG CD . 10162 1 33 . 1 1 11 11 ARG HD3 H 1 3.129 0.030 . 1 . . . . 11 ARG HD3 . 10162 1 34 . 1 1 11 11 ARG HB2 H 1 1.714 0.030 . 2 . . . . 11 ARG HB2 . 10162 1 35 . 1 1 11 11 ARG HD2 H 1 3.129 0.030 . 1 . . . . 11 ARG HD2 . 10162 1 36 . 1 1 11 11 ARG HG2 H 1 1.535 0.030 . 1 . . . . 11 ARG HG2 . 10162 1 37 . 1 1 12 12 VAL CA C 13 62.370 0.300 . 1 . . . . 12 VAL CA . 10162 1 38 . 1 1 12 12 VAL HA H 1 4.205 0.030 . 1 . . . . 12 VAL HA . 10162 1 39 . 1 1 12 12 VAL CB C 13 32.571 0.300 . 1 . . . . 12 VAL CB . 10162 1 40 . 1 1 12 12 VAL CG1 C 13 21.521 0.300 . 2 . . . . 12 VAL CG1 . 10162 1 41 . 1 1 12 12 VAL HG11 H 1 1.012 0.030 . 1 . . . . 12 VAL HG1 . 10162 1 42 . 1 1 12 12 VAL HG12 H 1 1.012 0.030 . 1 . . . . 12 VAL HG1 . 10162 1 43 . 1 1 12 12 VAL HG13 H 1 1.012 0.030 . 1 . . . . 12 VAL HG1 . 10162 1 44 . 1 1 12 12 VAL CG2 C 13 21.445 0.300 . 2 . . . . 12 VAL CG2 . 10162 1 45 . 1 1 12 12 VAL HG21 H 1 1.075 0.030 . 1 . . . . 12 VAL HG2 . 10162 1 46 . 1 1 12 12 VAL HG22 H 1 1.075 0.030 . 1 . . . . 12 VAL HG2 . 10162 1 47 . 1 1 12 12 VAL HG23 H 1 1.075 0.030 . 1 . . . . 12 VAL HG2 . 10162 1 48 . 1 1 13 13 GLY N N 15 113.294 0.300 . 1 . . . . 13 GLY N . 10162 1 49 . 1 1 13 13 GLY H H 1 8.608 0.030 . 1 . . . . 13 GLY H . 10162 1 50 . 1 1 13 13 GLY CA C 13 44.973 0.300 . 1 . . . . 13 GLY CA . 10162 1 51 . 1 1 13 13 GLY HA3 H 1 4.024 0.030 . 2 . . . . 13 GLY HA3 . 10162 1 52 . 1 1 13 13 GLY HA2 H 1 3.891 0.030 . 2 . . . . 13 GLY HA2 . 10162 1 53 . 1 1 14 14 GLU N N 15 120.644 0.300 . 1 . . . . 14 GLU N . 10162 1 54 . 1 1 14 14 GLU H H 1 8.139 0.030 . 1 . . . . 14 GLU H . 10162 1 55 . 1 1 14 14 GLU CA C 13 54.101 0.300 . 1 . . . . 14 GLU CA . 10162 1 56 . 1 1 14 14 GLU HA H 1 4.626 0.030 . 1 . . . . 14 GLU HA . 10162 1 57 . 1 1 14 14 GLU CB C 13 30.026 0.300 . 1 . . . . 14 GLU CB . 10162 1 58 . 1 1 14 14 GLU HB3 H 1 2.038 0.030 . 2 . . . . 14 GLU HB3 . 10162 1 59 . 1 1 14 14 GLU CG C 13 35.826 0.300 . 1 . . . . 14 GLU CG . 10162 1 60 . 1 1 14 14 GLU HG3 H 1 2.269 0.030 . 1 . . . . 14 GLU HG3 . 10162 1 61 . 1 1 14 14 GLU HB2 H 1 1.810 0.030 . 2 . . . . 14 GLU HB2 . 10162 1 62 . 1 1 14 14 GLU HG2 H 1 2.269 0.030 . 1 . . . . 14 GLU HG2 . 10162 1 63 . 1 1 15 15 PRO CA C 13 63.731 0.300 . 1 . . . . 15 PRO CA . 10162 1 64 . 1 1 15 15 PRO HA H 1 4.319 0.030 . 1 . . . . 15 PRO HA . 10162 1 65 . 1 1 15 15 PRO CB C 13 31.974 0.300 . 1 . . . . 15 PRO CB . 10162 1 66 . 1 1 15 15 PRO HB3 H 1 1.917 0.030 . 2 . . . . 15 PRO HB3 . 10162 1 67 . 1 1 15 15 PRO CG C 13 27.545 0.300 . 1 . . . . 15 PRO CG . 10162 1 68 . 1 1 15 15 PRO HG3 H 1 2.084 0.030 . 2 . . . . 15 PRO HG3 . 10162 1 69 . 1 1 15 15 PRO CD C 13 50.712 0.300 . 1 . . . . 15 PRO CD . 10162 1 70 . 1 1 15 15 PRO HD3 H 1 3.706 0.030 . 2 . . . . 15 PRO HD3 . 10162 1 71 . 1 1 15 15 PRO C C 13 177.450 0.300 . 1 . . . . 15 PRO C . 10162 1 72 . 1 1 15 15 PRO HB2 H 1 2.262 0.030 . 2 . . . . 15 PRO HB2 . 10162 1 73 . 1 1 15 15 PRO HD2 H 1 3.830 0.030 . 2 . . . . 15 PRO HD2 . 10162 1 74 . 1 1 15 15 PRO HG2 H 1 1.941 0.030 . 2 . . . . 15 PRO HG2 . 10162 1 75 . 1 1 16 16 GLY N N 15 109.768 0.300 . 1 . . . . 16 GLY N . 10162 1 76 . 1 1 16 16 GLY H H 1 8.577 0.030 . 1 . . . . 16 GLY H . 10162 1 77 . 1 1 16 16 GLY CA C 13 45.424 0.300 . 1 . . . . 16 GLY CA . 10162 1 78 . 1 1 16 16 GLY HA3 H 1 3.804 0.030 . 2 . . . . 16 GLY HA3 . 10162 1 79 . 1 1 16 16 GLY C C 13 174.160 0.300 . 1 . . . . 16 GLY C . 10162 1 80 . 1 1 16 16 GLY HA2 H 1 4.086 0.030 . 2 . . . . 16 GLY HA2 . 10162 1 81 . 1 1 17 17 GLN N N 15 119.726 0.300 . 1 . . . . 17 GLN N . 10162 1 82 . 1 1 17 17 GLN H H 1 7.868 0.030 . 1 . . . . 17 GLN H . 10162 1 83 . 1 1 17 17 GLN CA C 13 55.403 0.300 . 1 . . . . 17 GLN CA . 10162 1 84 . 1 1 17 17 GLN HA H 1 4.389 0.030 . 1 . . . . 17 GLN HA . 10162 1 85 . 1 1 17 17 GLN CB C 13 29.894 0.300 . 1 . . . . 17 GLN CB . 10162 1 86 . 1 1 17 17 GLN HB3 H 1 1.976 0.030 . 2 . . . . 17 GLN HB3 . 10162 1 87 . 1 1 17 17 GLN CG C 13 33.807 0.300 . 1 . . . . 17 GLN CG . 10162 1 88 . 1 1 17 17 GLN HG3 H 1 2.359 0.030 . 1 . . . . 17 GLN HG3 . 10162 1 89 . 1 1 17 17 GLN NE2 N 15 112.690 0.300 . 1 . . . . 17 GLN NE2 . 10162 1 90 . 1 1 17 17 GLN HE21 H 1 7.585 0.030 . 2 . . . . 17 GLN HE21 . 10162 1 91 . 1 1 17 17 GLN HE22 H 1 6.900 0.030 . 2 . . . . 17 GLN HE22 . 10162 1 92 . 1 1 17 17 GLN C C 13 175.290 0.300 . 1 . . . . 17 GLN C . 10162 1 93 . 1 1 17 17 GLN HB2 H 1 2.121 0.030 . 2 . . . . 17 GLN HB2 . 10162 1 94 . 1 1 17 17 GLN HG2 H 1 2.359 0.030 . 1 . . . . 17 GLN HG2 . 10162 1 95 . 1 1 18 18 ALA N N 15 125.593 0.300 . 1 . . . . 18 ALA N . 10162 1 96 . 1 1 18 18 ALA H H 1 8.469 0.030 . 1 . . . . 18 ALA H . 10162 1 97 . 1 1 18 18 ALA CA C 13 52.389 0.300 . 1 . . . . 18 ALA CA . 10162 1 98 . 1 1 18 18 ALA HA H 1 4.448 0.030 . 1 . . . . 18 ALA HA . 10162 1 99 . 1 1 18 18 ALA CB C 13 19.959 0.300 . 1 . . . . 18 ALA CB . 10162 1 100 . 1 1 18 18 ALA HB1 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 10162 1 101 . 1 1 18 18 ALA HB2 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 10162 1 102 . 1 1 18 18 ALA HB3 H 1 1.436 0.030 . 1 . . . . 18 ALA HB . 10162 1 103 . 1 1 18 18 ALA C C 13 177.464 0.300 . 1 . . . . 18 ALA C . 10162 1 104 . 1 1 19 19 GLY N N 15 109.162 0.300 . 1 . . . . 19 GLY N . 10162 1 105 . 1 1 19 19 GLY H H 1 8.294 0.030 . 1 . . . . 19 GLY H . 10162 1 106 . 1 1 19 19 GLY CA C 13 45.270 0.300 . 1 . . . . 19 GLY CA . 10162 1 107 . 1 1 19 19 GLY HA3 H 1 3.853 0.030 . 2 . . . . 19 GLY HA3 . 10162 1 108 . 1 1 19 19 GLY C C 13 173.012 0.300 . 1 . . . . 19 GLY C . 10162 1 109 . 1 1 19 19 GLY HA2 H 1 4.207 0.030 . 2 . . . . 19 GLY HA2 . 10162 1 110 . 1 1 20 20 ASN N N 15 118.861 0.300 . 1 . . . . 20 ASN N . 10162 1 111 . 1 1 20 20 ASN H H 1 8.479 0.030 . 1 . . . . 20 ASN H . 10162 1 112 . 1 1 20 20 ASN CA C 13 50.128 0.300 . 1 . . . . 20 ASN CA . 10162 1 113 . 1 1 20 20 ASN HA H 1 5.236 0.030 . 1 . . . . 20 ASN HA . 10162 1 114 . 1 1 20 20 ASN CB C 13 39.697 0.300 . 1 . . . . 20 ASN CB . 10162 1 115 . 1 1 20 20 ASN HB3 H 1 2.852 0.030 . 2 . . . . 20 ASN HB3 . 10162 1 116 . 1 1 20 20 ASN ND2 N 15 111.711 0.300 . 1 . . . . 20 ASN ND2 . 10162 1 117 . 1 1 20 20 ASN HD21 H 1 7.200 0.030 . 2 . . . . 20 ASN HD21 . 10162 1 118 . 1 1 20 20 ASN HD22 H 1 7.802 0.030 . 2 . . . . 20 ASN HD22 . 10162 1 119 . 1 1 20 20 ASN C C 13 174.482 0.300 . 1 . . . . 20 ASN C . 10162 1 120 . 1 1 20 20 ASN HB2 H 1 3.060 0.030 . 2 . . . . 20 ASN HB2 . 10162 1 121 . 1 1 21 21 PRO CA C 13 64.588 0.300 . 1 . . . . 21 PRO CA . 10162 1 122 . 1 1 21 21 PRO HA H 1 4.312 0.030 . 1 . . . . 21 PRO HA . 10162 1 123 . 1 1 21 21 PRO CB C 13 31.950 0.300 . 1 . . . . 21 PRO CB . 10162 1 124 . 1 1 21 21 PRO HB3 H 1 2.114 0.030 . 2 . . . . 21 PRO HB3 . 10162 1 125 . 1 1 21 21 PRO CG C 13 27.311 0.300 . 1 . . . . 21 PRO CG . 10162 1 126 . 1 1 21 21 PRO HG3 H 1 2.195 0.030 . 2 . . . . 21 PRO HG3 . 10162 1 127 . 1 1 21 21 PRO CD C 13 51.201 0.300 . 1 . . . . 21 PRO CD . 10162 1 128 . 1 1 21 21 PRO HD3 H 1 4.029 0.030 . 2 . . . . 21 PRO HD3 . 10162 1 129 . 1 1 21 21 PRO C C 13 177.141 0.300 . 1 . . . . 21 PRO C . 10162 1 130 . 1 1 21 21 PRO HB2 H 1 2.581 0.030 . 2 . . . . 21 PRO HB2 . 10162 1 131 . 1 1 21 21 PRO HD2 H 1 4.120 0.030 . 2 . . . . 21 PRO HD2 . 10162 1 132 . 1 1 21 21 PRO HG2 H 1 2.137 0.030 . 2 . . . . 21 PRO HG2 . 10162 1 133 . 1 1 22 22 ALA N N 15 118.898 0.300 . 1 . . . . 22 ALA N . 10162 1 134 . 1 1 22 22 ALA H H 1 7.918 0.030 . 1 . . . . 22 ALA H . 10162 1 135 . 1 1 22 22 ALA CA C 13 53.499 0.300 . 1 . . . . 22 ALA CA . 10162 1 136 . 1 1 22 22 ALA HA H 1 4.386 0.030 . 1 . . . . 22 ALA HA . 10162 1 137 . 1 1 22 22 ALA CB C 13 18.288 0.300 . 1 . . . . 22 ALA CB . 10162 1 138 . 1 1 22 22 ALA HB1 H 1 1.445 0.030 . 1 . . . . 22 ALA HB . 10162 1 139 . 1 1 22 22 ALA HB2 H 1 1.445 0.030 . 1 . . . . 22 ALA HB . 10162 1 140 . 1 1 22 22 ALA HB3 H 1 1.445 0.030 . 1 . . . . 22 ALA HB . 10162 1 141 . 1 1 22 22 ALA C C 13 178.115 0.300 . 1 . . . . 22 ALA C . 10162 1 142 . 1 1 23 23 LEU N N 15 116.219 0.300 . 1 . . . . 23 LEU N . 10162 1 143 . 1 1 23 23 LEU H H 1 7.696 0.030 . 1 . . . . 23 LEU H . 10162 1 144 . 1 1 23 23 LEU CA C 13 53.851 0.300 . 1 . . . . 23 LEU CA . 10162 1 145 . 1 1 23 23 LEU HA H 1 4.475 0.030 . 1 . . . . 23 LEU HA . 10162 1 146 . 1 1 23 23 LEU CB C 13 41.958 0.300 . 1 . . . . 23 LEU CB . 10162 1 147 . 1 1 23 23 LEU HB3 H 1 1.576 0.030 . 1 . . . . 23 LEU HB3 . 10162 1 148 . 1 1 23 23 LEU CG C 13 27.048 0.300 . 1 . . . . 23 LEU CG . 10162 1 149 . 1 1 23 23 LEU HG H 1 1.470 0.030 . 1 . . . . 23 LEU HG . 10162 1 150 . 1 1 23 23 LEU CD1 C 13 25.959 0.300 . 2 . . . . 23 LEU CD1 . 10162 1 151 . 1 1 23 23 LEU HD11 H 1 1.006 0.030 . 1 . . . . 23 LEU HD1 . 10162 1 152 . 1 1 23 23 LEU HD12 H 1 1.006 0.030 . 1 . . . . 23 LEU HD1 . 10162 1 153 . 1 1 23 23 LEU HD13 H 1 1.006 0.030 . 1 . . . . 23 LEU HD1 . 10162 1 154 . 1 1 23 23 LEU CD2 C 13 22.185 0.300 . 2 . . . . 23 LEU CD2 . 10162 1 155 . 1 1 23 23 LEU HD21 H 1 0.800 0.030 . 1 . . . . 23 LEU HD2 . 10162 1 156 . 1 1 23 23 LEU HD22 H 1 0.800 0.030 . 1 . . . . 23 LEU HD2 . 10162 1 157 . 1 1 23 23 LEU HD23 H 1 0.800 0.030 . 1 . . . . 23 LEU HD2 . 10162 1 158 . 1 1 23 23 LEU C C 13 176.653 0.300 . 1 . . . . 23 LEU C . 10162 1 159 . 1 1 23 23 LEU HB2 H 1 1.576 0.030 . 1 . . . . 23 LEU HB2 . 10162 1 160 . 1 1 24 24 VAL N N 15 122.233 0.300 . 1 . . . . 24 VAL N . 10162 1 161 . 1 1 24 24 VAL H H 1 7.207 0.030 . 1 . . . . 24 VAL H . 10162 1 162 . 1 1 24 24 VAL CA C 13 62.768 0.300 . 1 . . . . 24 VAL CA . 10162 1 163 . 1 1 24 24 VAL HA H 1 4.081 0.030 . 1 . . . . 24 VAL HA . 10162 1 164 . 1 1 24 24 VAL CB C 13 32.408 0.300 . 1 . . . . 24 VAL CB . 10162 1 165 . 1 1 24 24 VAL HB H 1 1.892 0.030 . 1 . . . . 24 VAL HB . 10162 1 166 . 1 1 24 24 VAL CG1 C 13 23.025 0.300 . 2 . . . . 24 VAL CG1 . 10162 1 167 . 1 1 24 24 VAL HG11 H 1 0.701 0.030 . 1 . . . . 24 VAL HG1 . 10162 1 168 . 1 1 24 24 VAL HG12 H 1 0.701 0.030 . 1 . . . . 24 VAL HG1 . 10162 1 169 . 1 1 24 24 VAL HG13 H 1 0.701 0.030 . 1 . . . . 24 VAL HG1 . 10162 1 170 . 1 1 24 24 VAL CG2 C 13 23.360 0.300 . 2 . . . . 24 VAL CG2 . 10162 1 171 . 1 1 24 24 VAL HG21 H 1 0.333 0.030 . 1 . . . . 24 VAL HG2 . 10162 1 172 . 1 1 24 24 VAL HG22 H 1 0.333 0.030 . 1 . . . . 24 VAL HG2 . 10162 1 173 . 1 1 24 24 VAL HG23 H 1 0.333 0.030 . 1 . . . . 24 VAL HG2 . 10162 1 174 . 1 1 24 24 VAL C C 13 174.702 0.300 . 1 . . . . 24 VAL C . 10162 1 175 . 1 1 25 25 SER N N 15 120.181 0.300 . 1 . . . . 25 SER N . 10162 1 176 . 1 1 25 25 SER H H 1 8.109 0.030 . 1 . . . . 25 SER H . 10162 1 177 . 1 1 25 25 SER CA C 13 56.489 0.300 . 1 . . . . 25 SER CA . 10162 1 178 . 1 1 25 25 SER HA H 1 5.159 0.030 . 1 . . . . 25 SER HA . 10162 1 179 . 1 1 25 25 SER CB C 13 66.443 0.300 . 1 . . . . 25 SER CB . 10162 1 180 . 1 1 25 25 SER HB3 H 1 3.984 0.030 . 2 . . . . 25 SER HB3 . 10162 1 181 . 1 1 25 25 SER C C 13 172.102 0.300 . 1 . . . . 25 SER C . 10162 1 182 . 1 1 25 25 SER HB2 H 1 3.899 0.030 . 2 . . . . 25 SER HB2 . 10162 1 183 . 1 1 26 26 ALA N N 15 124.850 0.300 . 1 . . . . 26 ALA N . 10162 1 184 . 1 1 26 26 ALA H H 1 8.839 0.030 . 1 . . . . 26 ALA H . 10162 1 185 . 1 1 26 26 ALA CA C 13 50.395 0.300 . 1 . . . . 26 ALA CA . 10162 1 186 . 1 1 26 26 ALA HA H 1 5.796 0.030 . 1 . . . . 26 ALA HA . 10162 1 187 . 1 1 26 26 ALA CB C 13 22.868 0.300 . 1 . . . . 26 ALA CB . 10162 1 188 . 1 1 26 26 ALA HB1 H 1 1.228 0.030 . 1 . . . . 26 ALA HB . 10162 1 189 . 1 1 26 26 ALA HB2 H 1 1.228 0.030 . 1 . . . . 26 ALA HB . 10162 1 190 . 1 1 26 26 ALA HB3 H 1 1.228 0.030 . 1 . . . . 26 ALA HB . 10162 1 191 . 1 1 26 26 ALA C C 13 175.694 0.300 . 1 . . . . 26 ALA C . 10162 1 192 . 1 1 27 27 TYR N N 15 117.541 0.300 . 1 . . . . 27 TYR N . 10162 1 193 . 1 1 27 27 TYR H H 1 8.831 0.030 . 1 . . . . 27 TYR H . 10162 1 194 . 1 1 27 27 TYR CA C 13 56.610 0.300 . 1 . . . . 27 TYR CA . 10162 1 195 . 1 1 27 27 TYR HA H 1 4.851 0.030 . 1 . . . . 27 TYR HA . 10162 1 196 . 1 1 27 27 TYR CB C 13 39.737 0.300 . 1 . . . . 27 TYR CB . 10162 1 197 . 1 1 27 27 TYR HB3 H 1 3.067 0.030 . 2 . . . . 27 TYR HB3 . 10162 1 198 . 1 1 27 27 TYR CD1 C 13 133.845 0.300 . 1 . . . . 27 TYR CD1 . 10162 1 199 . 1 1 27 27 TYR HD1 H 1 6.943 0.030 . 1 . . . . 27 TYR HD1 . 10162 1 200 . 1 1 27 27 TYR CD2 C 13 133.845 0.300 . 1 . . . . 27 TYR CD2 . 10162 1 201 . 1 1 27 27 TYR HD2 H 1 6.943 0.030 . 1 . . . . 27 TYR HD2 . 10162 1 202 . 1 1 27 27 TYR CE1 C 13 118.111 0.300 . 1 . . . . 27 TYR CE1 . 10162 1 203 . 1 1 27 27 TYR HE1 H 1 6.607 0.030 . 1 . . . . 27 TYR HE1 . 10162 1 204 . 1 1 27 27 TYR CE2 C 13 118.111 0.300 . 1 . . . . 27 TYR CE2 . 10162 1 205 . 1 1 27 27 TYR HE2 H 1 6.607 0.030 . 1 . . . . 27 TYR HE2 . 10162 1 206 . 1 1 27 27 TYR C C 13 173.299 0.300 . 1 . . . . 27 TYR C . 10162 1 207 . 1 1 27 27 TYR HB2 H 1 3.223 0.030 . 2 . . . . 27 TYR HB2 . 10162 1 208 . 1 1 28 28 GLY N N 15 108.355 0.300 . 1 . . . . 28 GLY N . 10162 1 209 . 1 1 28 28 GLY H H 1 8.788 0.030 . 1 . . . . 28 GLY H . 10162 1 210 . 1 1 28 28 GLY CA C 13 44.056 0.300 . 1 . . . . 28 GLY CA . 10162 1 211 . 1 1 28 28 GLY HA3 H 1 4.304 0.030 . 2 . . . . 28 GLY HA3 . 10162 1 212 . 1 1 28 28 GLY C C 13 176.208 0.300 . 1 . . . . 28 GLY C . 10162 1 213 . 1 1 28 28 GLY HA2 H 1 5.047 0.030 . 2 . . . . 28 GLY HA2 . 10162 1 214 . 1 1 29 29 THR N N 15 115.659 0.300 . 1 . . . . 29 THR N . 10162 1 215 . 1 1 29 29 THR H H 1 9.027 0.030 . 1 . . . . 29 THR H . 10162 1 216 . 1 1 29 29 THR CA C 13 65.419 0.300 . 1 . . . . 29 THR CA . 10162 1 217 . 1 1 29 29 THR HA H 1 4.171 0.030 . 1 . . . . 29 THR HA . 10162 1 218 . 1 1 29 29 THR CB C 13 68.659 0.300 . 1 . . . . 29 THR CB . 10162 1 219 . 1 1 29 29 THR HB H 1 4.446 0.030 . 1 . . . . 29 THR HB . 10162 1 220 . 1 1 29 29 THR CG2 C 13 22.671 0.300 . 1 . . . . 29 THR CG2 . 10162 1 221 . 1 1 29 29 THR HG21 H 1 1.480 0.030 . 1 . . . . 29 THR HG2 . 10162 1 222 . 1 1 29 29 THR HG22 H 1 1.480 0.030 . 1 . . . . 29 THR HG2 . 10162 1 223 . 1 1 29 29 THR HG23 H 1 1.480 0.030 . 1 . . . . 29 THR HG2 . 10162 1 224 . 1 1 29 29 THR C C 13 178.141 0.300 . 1 . . . . 29 THR C . 10162 1 225 . 1 1 30 30 GLY N N 15 107.400 0.300 . 1 . . . . 30 GLY N . 10162 1 226 . 1 1 30 30 GLY H H 1 8.747 0.030 . 1 . . . . 30 GLY H . 10162 1 227 . 1 1 30 30 GLY CA C 13 46.719 0.300 . 1 . . . . 30 GLY CA . 10162 1 228 . 1 1 30 30 GLY HA3 H 1 3.556 0.030 . 2 . . . . 30 GLY HA3 . 10162 1 229 . 1 1 30 30 GLY C C 13 173.896 0.300 . 1 . . . . 30 GLY C . 10162 1 230 . 1 1 30 30 GLY HA2 H 1 4.483 0.030 . 2 . . . . 30 GLY HA2 . 10162 1 231 . 1 1 31 31 LEU N N 15 118.075 0.300 . 1 . . . . 31 LEU N . 10162 1 232 . 1 1 31 31 LEU H H 1 7.389 0.030 . 1 . . . . 31 LEU H . 10162 1 233 . 1 1 31 31 LEU CA C 13 55.799 0.300 . 1 . . . . 31 LEU CA . 10162 1 234 . 1 1 31 31 LEU HA H 1 3.778 0.030 . 1 . . . . 31 LEU HA . 10162 1 235 . 1 1 31 31 LEU CB C 13 41.564 0.300 . 1 . . . . 31 LEU CB . 10162 1 236 . 1 1 31 31 LEU HB3 H 1 1.037 0.030 . 2 . . . . 31 LEU HB3 . 10162 1 237 . 1 1 31 31 LEU CG C 13 25.956 0.300 . 1 . . . . 31 LEU CG . 10162 1 238 . 1 1 31 31 LEU HG H 1 0.693 0.030 . 1 . . . . 31 LEU HG . 10162 1 239 . 1 1 31 31 LEU CD1 C 13 23.632 0.300 . 2 . . . . 31 LEU CD1 . 10162 1 240 . 1 1 31 31 LEU HD11 H 1 -0.048 0.030 . 1 . . . . 31 LEU HD1 . 10162 1 241 . 1 1 31 31 LEU HD12 H 1 -0.048 0.030 . 1 . . . . 31 LEU HD1 . 10162 1 242 . 1 1 31 31 LEU HD13 H 1 -0.048 0.030 . 1 . . . . 31 LEU HD1 . 10162 1 243 . 1 1 31 31 LEU CD2 C 13 19.785 0.300 . 2 . . . . 31 LEU CD2 . 10162 1 244 . 1 1 31 31 LEU HD21 H 1 -0.992 0.030 . 1 . . . . 31 LEU HD2 . 10162 1 245 . 1 1 31 31 LEU HD22 H 1 -0.992 0.030 . 1 . . . . 31 LEU HD2 . 10162 1 246 . 1 1 31 31 LEU HD23 H 1 -0.992 0.030 . 1 . . . . 31 LEU HD2 . 10162 1 247 . 1 1 31 31 LEU C C 13 176.045 0.300 . 1 . . . . 31 LEU C . 10162 1 248 . 1 1 31 31 LEU HB2 H 1 1.507 0.030 . 2 . . . . 31 LEU HB2 . 10162 1 249 . 1 1 32 32 GLU N N 15 112.872 0.300 . 1 . . . . 32 GLU N . 10162 1 250 . 1 1 32 32 GLU H H 1 7.509 0.030 . 1 . . . . 32 GLU H . 10162 1 251 . 1 1 32 32 GLU CA C 13 56.330 0.300 . 1 . . . . 32 GLU CA . 10162 1 252 . 1 1 32 32 GLU HA H 1 4.717 0.030 . 1 . . . . 32 GLU HA . 10162 1 253 . 1 1 32 32 GLU CB C 13 31.924 0.300 . 1 . . . . 32 GLU CB . 10162 1 254 . 1 1 32 32 GLU HB3 H 1 2.240 0.030 . 2 . . . . 32 GLU HB3 . 10162 1 255 . 1 1 32 32 GLU CG C 13 36.534 0.300 . 1 . . . . 32 GLU CG . 10162 1 256 . 1 1 32 32 GLU HG3 H 1 2.369 0.030 . 2 . . . . 32 GLU HG3 . 10162 1 257 . 1 1 32 32 GLU C C 13 177.958 0.300 . 1 . . . . 32 GLU C . 10162 1 258 . 1 1 32 32 GLU HB2 H 1 2.159 0.030 . 2 . . . . 32 GLU HB2 . 10162 1 259 . 1 1 32 32 GLU HG2 H 1 2.320 0.030 . 2 . . . . 32 GLU HG2 . 10162 1 260 . 1 1 33 33 GLY N N 15 107.880 0.300 . 1 . . . . 33 GLY N . 10162 1 261 . 1 1 33 33 GLY H H 1 7.822 0.030 . 1 . . . . 33 GLY H . 10162 1 262 . 1 1 33 33 GLY CA C 13 45.568 0.300 . 1 . . . . 33 GLY CA . 10162 1 263 . 1 1 33 33 GLY HA3 H 1 4.125 0.030 . 2 . . . . 33 GLY HA3 . 10162 1 264 . 1 1 33 33 GLY C C 13 172.046 0.300 . 1 . . . . 33 GLY C . 10162 1 265 . 1 1 33 33 GLY HA2 H 1 4.661 0.030 . 2 . . . . 33 GLY HA2 . 10162 1 266 . 1 1 34 34 GLY N N 15 105.841 0.300 . 1 . . . . 34 GLY N . 10162 1 267 . 1 1 34 34 GLY H H 1 7.740 0.030 . 1 . . . . 34 GLY H . 10162 1 268 . 1 1 34 34 GLY CA C 13 45.215 0.300 . 1 . . . . 34 GLY CA . 10162 1 269 . 1 1 34 34 GLY HA3 H 1 3.988 0.030 . 2 . . . . 34 GLY HA3 . 10162 1 270 . 1 1 34 34 GLY C C 13 171.280 0.300 . 1 . . . . 34 GLY C . 10162 1 271 . 1 1 34 34 GLY HA2 H 1 4.030 0.030 . 2 . . . . 34 GLY HA2 . 10162 1 272 . 1 1 35 35 THR N N 15 119.173 0.300 . 1 . . . . 35 THR N . 10162 1 273 . 1 1 35 35 THR H H 1 9.363 0.030 . 1 . . . . 35 THR H . 10162 1 274 . 1 1 35 35 THR CA C 13 60.844 0.300 . 1 . . . . 35 THR CA . 10162 1 275 . 1 1 35 35 THR HA H 1 5.177 0.030 . 1 . . . . 35 THR HA . 10162 1 276 . 1 1 35 35 THR CB C 13 72.095 0.300 . 1 . . . . 35 THR CB . 10162 1 277 . 1 1 35 35 THR HB H 1 3.612 0.030 . 1 . . . . 35 THR HB . 10162 1 278 . 1 1 35 35 THR CG2 C 13 21.340 0.300 . 1 . . . . 35 THR CG2 . 10162 1 279 . 1 1 35 35 THR HG21 H 1 1.238 0.030 . 1 . . . . 35 THR HG2 . 10162 1 280 . 1 1 35 35 THR HG22 H 1 1.238 0.030 . 1 . . . . 35 THR HG2 . 10162 1 281 . 1 1 35 35 THR HG23 H 1 1.238 0.030 . 1 . . . . 35 THR HG2 . 10162 1 282 . 1 1 35 35 THR C C 13 173.460 0.300 . 1 . . . . 35 THR C . 10162 1 283 . 1 1 36 36 THR N N 15 116.864 0.300 . 1 . . . . 36 THR N . 10162 1 284 . 1 1 36 36 THR H H 1 8.425 0.030 . 1 . . . . 36 THR H . 10162 1 285 . 1 1 36 36 THR CA C 13 62.841 0.300 . 1 . . . . 36 THR CA . 10162 1 286 . 1 1 36 36 THR HA H 1 3.701 0.030 . 1 . . . . 36 THR HA . 10162 1 287 . 1 1 36 36 THR CB C 13 68.447 0.300 . 1 . . . . 36 THR CB . 10162 1 288 . 1 1 36 36 THR HB H 1 3.884 0.030 . 1 . . . . 36 THR HB . 10162 1 289 . 1 1 36 36 THR CG2 C 13 23.421 0.300 . 1 . . . . 36 THR CG2 . 10162 1 290 . 1 1 36 36 THR HG21 H 1 0.719 0.030 . 1 . . . . 36 THR HG2 . 10162 1 291 . 1 1 36 36 THR HG22 H 1 0.719 0.030 . 1 . . . . 36 THR HG2 . 10162 1 292 . 1 1 36 36 THR HG23 H 1 0.719 0.030 . 1 . . . . 36 THR HG2 . 10162 1 293 . 1 1 36 36 THR C C 13 175.396 0.300 . 1 . . . . 36 THR C . 10162 1 294 . 1 1 37 37 GLY N N 15 107.461 0.300 . 1 . . . . 37 GLY N . 10162 1 295 . 1 1 37 37 GLY H H 1 8.548 0.030 . 1 . . . . 37 GLY H . 10162 1 296 . 1 1 37 37 GLY CA C 13 45.434 0.300 . 1 . . . . 37 GLY CA . 10162 1 297 . 1 1 37 37 GLY HA3 H 1 3.386 0.030 . 2 . . . . 37 GLY HA3 . 10162 1 298 . 1 1 37 37 GLY C C 13 172.598 0.300 . 1 . . . . 37 GLY C . 10162 1 299 . 1 1 37 37 GLY HA2 H 1 4.024 0.030 . 2 . . . . 37 GLY HA2 . 10162 1 300 . 1 1 38 38 ILE N N 15 122.313 0.300 . 1 . . . . 38 ILE N . 10162 1 301 . 1 1 38 38 ILE H H 1 7.871 0.030 . 1 . . . . 38 ILE H . 10162 1 302 . 1 1 38 38 ILE CA C 13 58.566 0.300 . 1 . . . . 38 ILE CA . 10162 1 303 . 1 1 38 38 ILE HA H 1 4.274 0.030 . 1 . . . . 38 ILE HA . 10162 1 304 . 1 1 38 38 ILE CB C 13 38.476 0.300 . 1 . . . . 38 ILE CB . 10162 1 305 . 1 1 38 38 ILE HB H 1 1.804 0.030 . 1 . . . . 38 ILE HB . 10162 1 306 . 1 1 38 38 ILE CG1 C 13 26.949 0.300 . 1 . . . . 38 ILE CG1 . 10162 1 307 . 1 1 38 38 ILE HG13 H 1 1.254 0.030 . 2 . . . . 38 ILE HG13 . 10162 1 308 . 1 1 38 38 ILE CG2 C 13 17.109 0.300 . 1 . . . . 38 ILE CG2 . 10162 1 309 . 1 1 38 38 ILE HG21 H 1 0.894 0.030 . 1 . . . . 38 ILE HG2 . 10162 1 310 . 1 1 38 38 ILE HG22 H 1 0.894 0.030 . 1 . . . . 38 ILE HG2 . 10162 1 311 . 1 1 38 38 ILE HG23 H 1 0.894 0.030 . 1 . . . . 38 ILE HG2 . 10162 1 312 . 1 1 38 38 ILE CD1 C 13 10.982 0.300 . 1 . . . . 38 ILE CD1 . 10162 1 313 . 1 1 38 38 ILE HD11 H 1 0.736 0.030 . 1 . . . . 38 ILE HD1 . 10162 1 314 . 1 1 38 38 ILE HD12 H 1 0.736 0.030 . 1 . . . . 38 ILE HD1 . 10162 1 315 . 1 1 38 38 ILE HD13 H 1 0.736 0.030 . 1 . . . . 38 ILE HD1 . 10162 1 316 . 1 1 38 38 ILE C C 13 175.081 0.300 . 1 . . . . 38 ILE C . 10162 1 317 . 1 1 38 38 ILE HG12 H 1 1.099 0.030 . 2 . . . . 38 ILE HG12 . 10162 1 318 . 1 1 39 39 GLN N N 15 127.942 0.300 . 1 . . . . 39 GLN N . 10162 1 319 . 1 1 39 39 GLN H H 1 8.487 0.030 . 1 . . . . 39 GLN H . 10162 1 320 . 1 1 39 39 GLN CA C 13 57.394 0.300 . 1 . . . . 39 GLN CA . 10162 1 321 . 1 1 39 39 GLN HA H 1 4.312 0.030 . 1 . . . . 39 GLN HA . 10162 1 322 . 1 1 39 39 GLN CB C 13 31.057 0.300 . 1 . . . . 39 GLN CB . 10162 1 323 . 1 1 39 39 GLN HB3 H 1 1.860 0.030 . 2 . . . . 39 GLN HB3 . 10162 1 324 . 1 1 39 39 GLN CG C 13 35.427 0.300 . 1 . . . . 39 GLN CG . 10162 1 325 . 1 1 39 39 GLN HG3 H 1 2.043 0.030 . 2 . . . . 39 GLN HG3 . 10162 1 326 . 1 1 39 39 GLN NE2 N 15 113.841 0.300 . 1 . . . . 39 GLN NE2 . 10162 1 327 . 1 1 39 39 GLN HE21 H 1 7.840 0.030 . 2 . . . . 39 GLN HE21 . 10162 1 328 . 1 1 39 39 GLN HE22 H 1 6.850 0.030 . 2 . . . . 39 GLN HE22 . 10162 1 329 . 1 1 39 39 GLN C C 13 176.011 0.300 . 1 . . . . 39 GLN C . 10162 1 330 . 1 1 39 39 GLN HB2 H 1 1.816 0.030 . 2 . . . . 39 GLN HB2 . 10162 1 331 . 1 1 39 39 GLN HG2 H 1 1.882 0.030 . 2 . . . . 39 GLN HG2 . 10162 1 332 . 1 1 40 40 SER N N 15 125.784 0.300 . 1 . . . . 40 SER N . 10162 1 333 . 1 1 40 40 SER H H 1 9.167 0.030 . 1 . . . . 40 SER H . 10162 1 334 . 1 1 40 40 SER CA C 13 58.188 0.300 . 1 . . . . 40 SER CA . 10162 1 335 . 1 1 40 40 SER HA H 1 4.633 0.030 . 1 . . . . 40 SER HA . 10162 1 336 . 1 1 40 40 SER CB C 13 66.149 0.300 . 1 . . . . 40 SER CB . 10162 1 337 . 1 1 40 40 SER HB3 H 1 2.534 0.030 . 2 . . . . 40 SER HB3 . 10162 1 338 . 1 1 40 40 SER C C 13 172.625 0.300 . 1 . . . . 40 SER C . 10162 1 339 . 1 1 40 40 SER HB2 H 1 3.432 0.030 . 2 . . . . 40 SER HB2 . 10162 1 340 . 1 1 41 41 GLU N N 15 117.679 0.300 . 1 . . . . 41 GLU N . 10162 1 341 . 1 1 41 41 GLU H H 1 8.773 0.030 . 1 . . . . 41 GLU H . 10162 1 342 . 1 1 41 41 GLU CA C 13 54.060 0.300 . 1 . . . . 41 GLU CA . 10162 1 343 . 1 1 41 41 GLU HA H 1 5.629 0.030 . 1 . . . . 41 GLU HA . 10162 1 344 . 1 1 41 41 GLU CB C 13 34.053 0.300 . 1 . . . . 41 GLU CB . 10162 1 345 . 1 1 41 41 GLU HB3 H 1 1.618 0.030 . 2 . . . . 41 GLU HB3 . 10162 1 346 . 1 1 41 41 GLU CG C 13 35.367 0.300 . 1 . . . . 41 GLU CG . 10162 1 347 . 1 1 41 41 GLU HG3 H 1 2.043 0.030 . 2 . . . . 41 GLU HG3 . 10162 1 348 . 1 1 41 41 GLU C C 13 175.607 0.300 . 1 . . . . 41 GLU C . 10162 1 349 . 1 1 41 41 GLU HB2 H 1 1.774 0.030 . 2 . . . . 41 GLU HB2 . 10162 1 350 . 1 1 41 41 GLU HG2 H 1 2.007 0.030 . 2 . . . . 41 GLU HG2 . 10162 1 351 . 1 1 42 42 PHE N N 15 116.557 0.300 . 1 . . . . 42 PHE N . 10162 1 352 . 1 1 42 42 PHE H H 1 8.753 0.030 . 1 . . . . 42 PHE H . 10162 1 353 . 1 1 42 42 PHE CA C 13 56.847 0.300 . 1 . . . . 42 PHE CA . 10162 1 354 . 1 1 42 42 PHE HA H 1 4.743 0.030 . 1 . . . . 42 PHE HA . 10162 1 355 . 1 1 42 42 PHE CB C 13 40.908 0.300 . 1 . . . . 42 PHE CB . 10162 1 356 . 1 1 42 42 PHE HB3 H 1 2.670 0.030 . 2 . . . . 42 PHE HB3 . 10162 1 357 . 1 1 42 42 PHE CD1 C 13 132.497 0.300 . 1 . . . . 42 PHE CD1 . 10162 1 358 . 1 1 42 42 PHE HD1 H 1 6.675 0.030 . 1 . . . . 42 PHE HD1 . 10162 1 359 . 1 1 42 42 PHE CD2 C 13 132.497 0.300 . 1 . . . . 42 PHE CD2 . 10162 1 360 . 1 1 42 42 PHE HD2 H 1 6.675 0.030 . 1 . . . . 42 PHE HD2 . 10162 1 361 . 1 1 42 42 PHE CE1 C 13 129.977 0.300 . 1 . . . . 42 PHE CE1 . 10162 1 362 . 1 1 42 42 PHE HE1 H 1 6.808 0.030 . 1 . . . . 42 PHE HE1 . 10162 1 363 . 1 1 42 42 PHE CE2 C 13 129.977 0.300 . 1 . . . . 42 PHE CE2 . 10162 1 364 . 1 1 42 42 PHE HE2 H 1 6.808 0.030 . 1 . . . . 42 PHE HE2 . 10162 1 365 . 1 1 42 42 PHE CZ C 13 128.968 0.300 . 1 . . . . 42 PHE CZ . 10162 1 366 . 1 1 42 42 PHE HZ H 1 6.700 0.030 . 1 . . . . 42 PHE HZ . 10162 1 367 . 1 1 42 42 PHE C C 13 170.204 0.300 . 1 . . . . 42 PHE C . 10162 1 368 . 1 1 42 42 PHE HB2 H 1 3.048 0.030 . 2 . . . . 42 PHE HB2 . 10162 1 369 . 1 1 43 43 PHE N N 15 118.643 0.300 . 1 . . . . 43 PHE N . 10162 1 370 . 1 1 43 43 PHE H H 1 9.234 0.030 . 1 . . . . 43 PHE H . 10162 1 371 . 1 1 43 43 PHE CA C 13 57.292 0.300 . 1 . . . . 43 PHE CA . 10162 1 372 . 1 1 43 43 PHE HA H 1 5.041 0.030 . 1 . . . . 43 PHE HA . 10162 1 373 . 1 1 43 43 PHE CB C 13 42.583 0.300 . 1 . . . . 43 PHE CB . 10162 1 374 . 1 1 43 43 PHE HB3 H 1 1.838 0.030 . 2 . . . . 43 PHE HB3 . 10162 1 375 . 1 1 43 43 PHE CD1 C 13 132.041 0.300 . 1 . . . . 43 PHE CD1 . 10162 1 376 . 1 1 43 43 PHE HD1 H 1 7.051 0.030 . 1 . . . . 43 PHE HD1 . 10162 1 377 . 1 1 43 43 PHE CD2 C 13 132.041 0.300 . 1 . . . . 43 PHE CD2 . 10162 1 378 . 1 1 43 43 PHE HD2 H 1 7.051 0.030 . 1 . . . . 43 PHE HD2 . 10162 1 379 . 1 1 43 43 PHE CE1 C 13 130.669 0.300 . 1 . . . . 43 PHE CE1 . 10162 1 380 . 1 1 43 43 PHE HE1 H 1 7.282 0.030 . 1 . . . . 43 PHE HE1 . 10162 1 381 . 1 1 43 43 PHE CE2 C 13 130.669 0.300 . 1 . . . . 43 PHE CE2 . 10162 1 382 . 1 1 43 43 PHE HE2 H 1 7.282 0.030 . 1 . . . . 43 PHE HE2 . 10162 1 383 . 1 1 43 43 PHE CZ C 13 129.358 0.300 . 1 . . . . 43 PHE CZ . 10162 1 384 . 1 1 43 43 PHE HZ H 1 7.174 0.030 . 1 . . . . 43 PHE HZ . 10162 1 385 . 1 1 43 43 PHE C C 13 174.177 0.300 . 1 . . . . 43 PHE C . 10162 1 386 . 1 1 43 43 PHE HB2 H 1 2.651 0.030 . 2 . . . . 43 PHE HB2 . 10162 1 387 . 1 1 44 44 ILE N N 15 120.124 0.300 . 1 . . . . 44 ILE N . 10162 1 388 . 1 1 44 44 ILE H H 1 8.876 0.030 . 1 . . . . 44 ILE H . 10162 1 389 . 1 1 44 44 ILE CA C 13 59.698 0.300 . 1 . . . . 44 ILE CA . 10162 1 390 . 1 1 44 44 ILE HA H 1 4.717 0.030 . 1 . . . . 44 ILE HA . 10162 1 391 . 1 1 44 44 ILE CB C 13 40.591 0.300 . 1 . . . . 44 ILE CB . 10162 1 392 . 1 1 44 44 ILE HB H 1 1.806 0.030 . 1 . . . . 44 ILE HB . 10162 1 393 . 1 1 44 44 ILE CG1 C 13 27.387 0.300 . 1 . . . . 44 ILE CG1 . 10162 1 394 . 1 1 44 44 ILE HG13 H 1 1.068 0.030 . 2 . . . . 44 ILE HG13 . 10162 1 395 . 1 1 44 44 ILE CG2 C 13 18.477 0.300 . 1 . . . . 44 ILE CG2 . 10162 1 396 . 1 1 44 44 ILE HG21 H 1 0.790 0.030 . 1 . . . . 44 ILE HG2 . 10162 1 397 . 1 1 44 44 ILE HG22 H 1 0.790 0.030 . 1 . . . . 44 ILE HG2 . 10162 1 398 . 1 1 44 44 ILE HG23 H 1 0.790 0.030 . 1 . . . . 44 ILE HG2 . 10162 1 399 . 1 1 44 44 ILE CD1 C 13 15.758 0.300 . 1 . . . . 44 ILE CD1 . 10162 1 400 . 1 1 44 44 ILE HD11 H 1 0.900 0.030 . 1 . . . . 44 ILE HD1 . 10162 1 401 . 1 1 44 44 ILE HD12 H 1 0.900 0.030 . 1 . . . . 44 ILE HD1 . 10162 1 402 . 1 1 44 44 ILE HD13 H 1 0.900 0.030 . 1 . . . . 44 ILE HD1 . 10162 1 403 . 1 1 44 44 ILE C C 13 174.483 0.300 . 1 . . . . 44 ILE C . 10162 1 404 . 1 1 44 44 ILE HG12 H 1 1.597 0.030 . 2 . . . . 44 ILE HG12 . 10162 1 405 . 1 1 45 45 ASN N N 15 127.058 0.300 . 1 . . . . 45 ASN N . 10162 1 406 . 1 1 45 45 ASN H H 1 9.553 0.030 . 1 . . . . 45 ASN H . 10162 1 407 . 1 1 45 45 ASN CA C 13 52.099 0.300 . 1 . . . . 45 ASN CA . 10162 1 408 . 1 1 45 45 ASN HA H 1 5.380 0.030 . 1 . . . . 45 ASN HA . 10162 1 409 . 1 1 45 45 ASN CB C 13 39.596 0.300 . 1 . . . . 45 ASN CB . 10162 1 410 . 1 1 45 45 ASN HB3 H 1 2.760 0.030 . 2 . . . . 45 ASN HB3 . 10162 1 411 . 1 1 45 45 ASN ND2 N 15 114.340 0.300 . 1 . . . . 45 ASN ND2 . 10162 1 412 . 1 1 45 45 ASN HD21 H 1 7.288 0.030 . 2 . . . . 45 ASN HD21 . 10162 1 413 . 1 1 45 45 ASN HD22 H 1 7.813 0.030 . 2 . . . . 45 ASN HD22 . 10162 1 414 . 1 1 45 45 ASN C C 13 176.821 0.300 . 1 . . . . 45 ASN C . 10162 1 415 . 1 1 45 45 ASN HB2 H 1 3.480 0.030 . 2 . . . . 45 ASN HB2 . 10162 1 416 . 1 1 46 46 THR H H 1 9.223 0.030 . 1 . . . . 46 THR H . 10162 1 417 . 1 1 46 46 THR CA C 13 61.534 0.300 . 1 . . . . 46 THR CA . 10162 1 418 . 1 1 46 46 THR HA H 1 4.368 0.030 . 1 . . . . 46 THR HA . 10162 1 419 . 1 1 46 46 THR CB C 13 68.352 0.300 . 1 . . . . 46 THR CB . 10162 1 420 . 1 1 46 46 THR HB H 1 4.654 0.030 . 1 . . . . 46 THR HB . 10162 1 421 . 1 1 46 46 THR CG2 C 13 22.524 0.300 . 1 . . . . 46 THR CG2 . 10162 1 422 . 1 1 46 46 THR HG21 H 1 1.013 0.030 . 1 . . . . 46 THR HG2 . 10162 1 423 . 1 1 46 46 THR HG22 H 1 1.013 0.030 . 1 . . . . 46 THR HG2 . 10162 1 424 . 1 1 46 46 THR HG23 H 1 1.013 0.030 . 1 . . . . 46 THR HG2 . 10162 1 425 . 1 1 46 46 THR C C 13 176.816 0.300 . 1 . . . . 46 THR C . 10162 1 426 . 1 1 47 47 THR N N 15 116.732 0.300 . 1 . . . . 47 THR N . 10162 1 427 . 1 1 47 47 THR H H 1 8.368 0.030 . 1 . . . . 47 THR H . 10162 1 428 . 1 1 47 47 THR CA C 13 65.916 0.300 . 1 . . . . 47 THR CA . 10162 1 429 . 1 1 47 47 THR HA H 1 4.032 0.030 . 1 . . . . 47 THR HA . 10162 1 430 . 1 1 47 47 THR CB C 13 69.870 0.300 . 1 . . . . 47 THR CB . 10162 1 431 . 1 1 47 47 THR HB H 1 4.226 0.030 . 1 . . . . 47 THR HB . 10162 1 432 . 1 1 47 47 THR CG2 C 13 22.088 0.300 . 1 . . . . 47 THR CG2 . 10162 1 433 . 1 1 47 47 THR HG21 H 1 1.554 0.030 . 1 . . . . 47 THR HG2 . 10162 1 434 . 1 1 47 47 THR HG22 H 1 1.554 0.030 . 1 . . . . 47 THR HG2 . 10162 1 435 . 1 1 47 47 THR HG23 H 1 1.554 0.030 . 1 . . . . 47 THR HG2 . 10162 1 436 . 1 1 47 47 THR C C 13 176.865 0.300 . 1 . . . . 47 THR C . 10162 1 437 . 1 1 48 48 ARG N N 15 119.205 0.300 . 1 . . . . 48 ARG N . 10162 1 438 . 1 1 48 48 ARG H H 1 8.785 0.030 . 1 . . . . 48 ARG H . 10162 1 439 . 1 1 48 48 ARG CA C 13 56.273 0.300 . 1 . . . . 48 ARG CA . 10162 1 440 . 1 1 48 48 ARG HA H 1 4.488 0.030 . 1 . . . . 48 ARG HA . 10162 1 441 . 1 1 48 48 ARG CB C 13 30.862 0.300 . 1 . . . . 48 ARG CB . 10162 1 442 . 1 1 48 48 ARG HB3 H 1 1.766 0.030 . 2 . . . . 48 ARG HB3 . 10162 1 443 . 1 1 48 48 ARG CG C 13 27.655 0.300 . 1 . . . . 48 ARG CG . 10162 1 444 . 1 1 48 48 ARG HG3 H 1 1.780 0.030 . 2 . . . . 48 ARG HG3 . 10162 1 445 . 1 1 48 48 ARG CD C 13 43.526 0.300 . 1 . . . . 48 ARG CD . 10162 1 446 . 1 1 48 48 ARG HD3 H 1 3.237 0.030 . 1 . . . . 48 ARG HD3 . 10162 1 447 . 1 1 48 48 ARG C C 13 176.314 0.300 . 1 . . . . 48 ARG C . 10162 1 448 . 1 1 48 48 ARG HB2 H 1 2.085 0.030 . 2 . . . . 48 ARG HB2 . 10162 1 449 . 1 1 48 48 ARG HD2 H 1 3.237 0.030 . 1 . . . . 48 ARG HD2 . 10162 1 450 . 1 1 48 48 ARG HG2 H 1 1.643 0.030 . 2 . . . . 48 ARG HG2 . 10162 1 451 . 1 1 49 49 ALA N N 15 120.807 0.300 . 1 . . . . 49 ALA N . 10162 1 452 . 1 1 49 49 ALA H H 1 7.440 0.030 . 1 . . . . 49 ALA H . 10162 1 453 . 1 1 49 49 ALA CA C 13 53.138 0.300 . 1 . . . . 49 ALA CA . 10162 1 454 . 1 1 49 49 ALA HA H 1 4.341 0.030 . 1 . . . . 49 ALA HA . 10162 1 455 . 1 1 49 49 ALA CB C 13 22.427 0.300 . 1 . . . . 49 ALA CB . 10162 1 456 . 1 1 49 49 ALA HB1 H 1 1.225 0.030 . 1 . . . . 49 ALA HB . 10162 1 457 . 1 1 49 49 ALA HB2 H 1 1.225 0.030 . 1 . . . . 49 ALA HB . 10162 1 458 . 1 1 49 49 ALA HB3 H 1 1.225 0.030 . 1 . . . . 49 ALA HB . 10162 1 459 . 1 1 49 49 ALA C C 13 177.914 0.300 . 1 . . . . 49 ALA C . 10162 1 460 . 1 1 50 50 GLY N N 15 105.941 0.300 . 1 . . . . 50 GLY N . 10162 1 461 . 1 1 50 50 GLY H H 1 7.924 0.030 . 1 . . . . 50 GLY H . 10162 1 462 . 1 1 50 50 GLY CA C 13 44.229 0.300 . 1 . . . . 50 GLY CA . 10162 1 463 . 1 1 50 50 GLY HA3 H 1 4.325 0.030 . 2 . . . . 50 GLY HA3 . 10162 1 464 . 1 1 50 50 GLY C C 13 171.089 0.300 . 1 . . . . 50 GLY C . 10162 1 465 . 1 1 50 50 GLY HA2 H 1 3.948 0.030 . 2 . . . . 50 GLY HA2 . 10162 1 466 . 1 1 51 51 PRO CA C 13 63.140 0.300 . 1 . . . . 51 PRO CA . 10162 1 467 . 1 1 51 51 PRO HA H 1 4.588 0.030 . 1 . . . . 51 PRO HA . 10162 1 468 . 1 1 51 51 PRO CB C 13 33.004 0.300 . 1 . . . . 51 PRO CB . 10162 1 469 . 1 1 51 51 PRO HB3 H 1 1.917 0.030 . 2 . . . . 51 PRO HB3 . 10162 1 470 . 1 1 51 51 PRO CG C 13 27.297 0.300 . 1 . . . . 51 PRO CG . 10162 1 471 . 1 1 51 51 PRO HG3 H 1 2.022 0.030 . 1 . . . . 51 PRO HG3 . 10162 1 472 . 1 1 51 51 PRO CD C 13 49.715 0.300 . 1 . . . . 51 PRO CD . 10162 1 473 . 1 1 51 51 PRO HD3 H 1 3.612 0.030 . 1 . . . . 51 PRO HD3 . 10162 1 474 . 1 1 51 51 PRO HB2 H 1 2.290 0.030 . 2 . . . . 51 PRO HB2 . 10162 1 475 . 1 1 51 51 PRO HD2 H 1 3.612 0.030 . 1 . . . . 51 PRO HD2 . 10162 1 476 . 1 1 51 51 PRO HG2 H 1 2.022 0.030 . 1 . . . . 51 PRO HG2 . 10162 1 477 . 1 1 52 52 GLY CA C 13 45.195 0.300 . 1 . . . . 52 GLY CA . 10162 1 478 . 1 1 52 52 GLY HA3 H 1 3.275 0.030 . 2 . . . . 52 GLY HA3 . 10162 1 479 . 1 1 52 52 GLY HA2 H 1 3.852 0.030 . 2 . . . . 52 GLY HA2 . 10162 1 480 . 1 1 53 53 THR N N 15 114.003 0.300 . 1 . . . . 53 THR N . 10162 1 481 . 1 1 53 53 THR H H 1 8.049 0.030 . 1 . . . . 53 THR H . 10162 1 482 . 1 1 53 53 THR CA C 13 62.352 0.300 . 1 . . . . 53 THR CA . 10162 1 483 . 1 1 53 53 THR HA H 1 4.436 0.030 . 1 . . . . 53 THR HA . 10162 1 484 . 1 1 53 53 THR CB C 13 69.631 0.300 . 1 . . . . 53 THR CB . 10162 1 485 . 1 1 53 53 THR HB H 1 3.807 0.030 . 1 . . . . 53 THR HB . 10162 1 486 . 1 1 53 53 THR CG2 C 13 21.775 0.300 . 1 . . . . 53 THR CG2 . 10162 1 487 . 1 1 53 53 THR HG21 H 1 0.991 0.030 . 1 . . . . 53 THR HG2 . 10162 1 488 . 1 1 53 53 THR HG22 H 1 0.991 0.030 . 1 . . . . 53 THR HG2 . 10162 1 489 . 1 1 53 53 THR HG23 H 1 0.991 0.030 . 1 . . . . 53 THR HG2 . 10162 1 490 . 1 1 54 54 LEU CA C 13 53.891 0.300 . 1 . . . . 54 LEU CA . 10162 1 491 . 1 1 54 54 LEU HA H 1 5.077 0.030 . 1 . . . . 54 LEU HA . 10162 1 492 . 1 1 54 54 LEU CB C 13 44.515 0.300 . 1 . . . . 54 LEU CB . 10162 1 493 . 1 1 54 54 LEU CG C 13 27.447 0.300 . 1 . . . . 54 LEU CG . 10162 1 494 . 1 1 54 54 LEU HG H 1 1.287 0.030 . 1 . . . . 54 LEU HG . 10162 1 495 . 1 1 54 54 LEU CD1 C 13 25.595 0.300 . 2 . . . . 54 LEU CD1 . 10162 1 496 . 1 1 54 54 LEU HD11 H 1 0.379 0.030 . 1 . . . . 54 LEU HD1 . 10162 1 497 . 1 1 54 54 LEU HD12 H 1 0.379 0.030 . 1 . . . . 54 LEU HD1 . 10162 1 498 . 1 1 54 54 LEU HD13 H 1 0.379 0.030 . 1 . . . . 54 LEU HD1 . 10162 1 499 . 1 1 54 54 LEU CD2 C 13 24.103 0.300 . 2 . . . . 54 LEU CD2 . 10162 1 500 . 1 1 54 54 LEU HD21 H 1 0.934 0.030 . 1 . . . . 54 LEU HD2 . 10162 1 501 . 1 1 54 54 LEU HD22 H 1 0.934 0.030 . 1 . . . . 54 LEU HD2 . 10162 1 502 . 1 1 54 54 LEU HD23 H 1 0.934 0.030 . 1 . . . . 54 LEU HD2 . 10162 1 503 . 1 1 55 55 SER N N 15 120.726 0.300 . 1 . . . . 55 SER N . 10162 1 504 . 1 1 55 55 SER H H 1 8.783 0.030 . 1 . . . . 55 SER H . 10162 1 505 . 1 1 55 55 SER CA C 13 56.249 0.300 . 1 . . . . 55 SER CA . 10162 1 506 . 1 1 55 55 SER HA H 1 5.092 0.030 . 1 . . . . 55 SER HA . 10162 1 507 . 1 1 55 55 SER CB C 13 65.032 0.300 . 1 . . . . 55 SER CB . 10162 1 508 . 1 1 55 55 SER HB3 H 1 3.577 0.030 . 1 . . . . 55 SER HB3 . 10162 1 509 . 1 1 55 55 SER C C 13 173.165 0.300 . 1 . . . . 55 SER C . 10162 1 510 . 1 1 55 55 SER HB2 H 1 3.577 0.030 . 1 . . . . 55 SER HB2 . 10162 1 511 . 1 1 56 56 VAL N N 15 126.234 0.300 . 1 . . . . 56 VAL N . 10162 1 512 . 1 1 56 56 VAL H H 1 8.336 0.030 . 1 . . . . 56 VAL H . 10162 1 513 . 1 1 56 56 VAL CA C 13 60.515 0.300 . 1 . . . . 56 VAL CA . 10162 1 514 . 1 1 56 56 VAL HA H 1 5.134 0.030 . 1 . . . . 56 VAL HA . 10162 1 515 . 1 1 56 56 VAL CB C 13 34.463 0.300 . 1 . . . . 56 VAL CB . 10162 1 516 . 1 1 56 56 VAL CG1 C 13 21.421 0.300 . 2 . . . . 56 VAL CG1 . 10162 1 517 . 1 1 56 56 VAL HG11 H 1 0.835 0.030 . 1 . . . . 56 VAL HG1 . 10162 1 518 . 1 1 56 56 VAL HG12 H 1 0.835 0.030 . 1 . . . . 56 VAL HG1 . 10162 1 519 . 1 1 56 56 VAL HG13 H 1 0.835 0.030 . 1 . . . . 56 VAL HG1 . 10162 1 520 . 1 1 56 56 VAL C C 13 174.718 0.300 . 1 . . . . 56 VAL C . 10162 1 521 . 1 1 57 57 THR N N 15 120.539 0.300 . 1 . . . . 57 THR N . 10162 1 522 . 1 1 57 57 THR H H 1 8.828 0.030 . 1 . . . . 57 THR H . 10162 1 523 . 1 1 57 57 THR CA C 13 60.580 0.300 . 1 . . . . 57 THR CA . 10162 1 524 . 1 1 57 57 THR HA H 1 5.132 0.030 . 1 . . . . 57 THR HA . 10162 1 525 . 1 1 57 57 THR CB C 13 72.187 0.300 . 1 . . . . 57 THR CB . 10162 1 526 . 1 1 57 57 THR HB H 1 3.959 0.030 . 1 . . . . 57 THR HB . 10162 1 527 . 1 1 57 57 THR CG2 C 13 21.768 0.300 . 1 . . . . 57 THR CG2 . 10162 1 528 . 1 1 57 57 THR HG21 H 1 1.139 0.030 . 1 . . . . 57 THR HG2 . 10162 1 529 . 1 1 57 57 THR HG22 H 1 1.139 0.030 . 1 . . . . 57 THR HG2 . 10162 1 530 . 1 1 57 57 THR HG23 H 1 1.139 0.030 . 1 . . . . 57 THR HG2 . 10162 1 531 . 1 1 57 57 THR C C 13 172.970 0.300 . 1 . . . . 57 THR C . 10162 1 532 . 1 1 58 58 ILE N N 15 123.949 0.300 . 1 . . . . 58 ILE N . 10162 1 533 . 1 1 58 58 ILE H H 1 9.249 0.030 . 1 . . . . 58 ILE H . 10162 1 534 . 1 1 58 58 ILE CA C 13 61.297 0.300 . 1 . . . . 58 ILE CA . 10162 1 535 . 1 1 58 58 ILE HA H 1 5.001 0.030 . 1 . . . . 58 ILE HA . 10162 1 536 . 1 1 58 58 ILE CB C 13 39.755 0.300 . 1 . . . . 58 ILE CB . 10162 1 537 . 1 1 58 58 ILE HB H 1 1.524 0.030 . 1 . . . . 58 ILE HB . 10162 1 538 . 1 1 58 58 ILE CG1 C 13 27.616 0.300 . 1 . . . . 58 ILE CG1 . 10162 1 539 . 1 1 58 58 ILE HG13 H 1 1.382 0.030 . 2 . . . . 58 ILE HG13 . 10162 1 540 . 1 1 58 58 ILE CG2 C 13 17.002 0.300 . 1 . . . . 58 ILE CG2 . 10162 1 541 . 1 1 58 58 ILE HG21 H 1 0.604 0.030 . 1 . . . . 58 ILE HG2 . 10162 1 542 . 1 1 58 58 ILE HG22 H 1 0.604 0.030 . 1 . . . . 58 ILE HG2 . 10162 1 543 . 1 1 58 58 ILE HG23 H 1 0.604 0.030 . 1 . . . . 58 ILE HG2 . 10162 1 544 . 1 1 58 58 ILE CD1 C 13 12.879 0.300 . 1 . . . . 58 ILE CD1 . 10162 1 545 . 1 1 58 58 ILE HD11 H 1 0.077 0.030 . 1 . . . . 58 ILE HD1 . 10162 1 546 . 1 1 58 58 ILE HD12 H 1 0.077 0.030 . 1 . . . . 58 ILE HD1 . 10162 1 547 . 1 1 58 58 ILE HD13 H 1 0.077 0.030 . 1 . . . . 58 ILE HD1 . 10162 1 548 . 1 1 58 58 ILE C C 13 174.848 0.300 . 1 . . . . 58 ILE C . 10162 1 549 . 1 1 58 58 ILE HG12 H 1 0.818 0.030 . 2 . . . . 58 ILE HG12 . 10162 1 550 . 1 1 59 59 GLU N N 15 129.027 0.300 . 1 . . . . 59 GLU N . 10162 1 551 . 1 1 59 59 GLU H H 1 8.966 0.030 . 1 . . . . 59 GLU H . 10162 1 552 . 1 1 59 59 GLU CA C 13 53.911 0.300 . 1 . . . . 59 GLU CA . 10162 1 553 . 1 1 59 59 GLU HA H 1 5.427 0.030 . 1 . . . . 59 GLU HA . 10162 1 554 . 1 1 59 59 GLU CB C 13 33.843 0.300 . 1 . . . . 59 GLU CB . 10162 1 555 . 1 1 59 59 GLU HB3 H 1 2.088 0.030 . 2 . . . . 59 GLU HB3 . 10162 1 556 . 1 1 59 59 GLU CG C 13 36.830 0.300 . 1 . . . . 59 GLU CG . 10162 1 557 . 1 1 59 59 GLU HG3 H 1 2.202 0.030 . 1 . . . . 59 GLU HG3 . 10162 1 558 . 1 1 59 59 GLU C C 13 175.342 0.300 . 1 . . . . 59 GLU C . 10162 1 559 . 1 1 59 59 GLU HB2 H 1 1.980 0.030 . 2 . . . . 59 GLU HB2 . 10162 1 560 . 1 1 59 59 GLU HG2 H 1 2.202 0.030 . 1 . . . . 59 GLU HG2 . 10162 1 561 . 1 1 60 60 GLY N N 15 110.765 0.300 . 1 . . . . 60 GLY N . 10162 1 562 . 1 1 60 60 GLY H H 1 8.597 0.030 . 1 . . . . 60 GLY H . 10162 1 563 . 1 1 60 60 GLY CA C 13 45.997 0.300 . 1 . . . . 60 GLY CA . 10162 1 564 . 1 1 60 60 GLY HA3 H 1 3.908 0.030 . 2 . . . . 60 GLY HA3 . 10162 1 565 . 1 1 60 60 GLY C C 13 171.205 0.300 . 1 . . . . 60 GLY C . 10162 1 566 . 1 1 60 60 GLY HA2 H 1 3.685 0.030 . 2 . . . . 60 GLY HA2 . 10162 1 567 . 1 1 61 61 PRO CA C 13 64.057 0.300 . 1 . . . . 61 PRO CA . 10162 1 568 . 1 1 61 61 PRO HA H 1 4.415 0.030 . 1 . . . . 61 PRO HA . 10162 1 569 . 1 1 61 61 PRO CB C 13 32.143 0.300 . 1 . . . . 61 PRO CB . 10162 1 570 . 1 1 61 61 PRO HB3 H 1 1.846 0.030 . 2 . . . . 61 PRO HB3 . 10162 1 571 . 1 1 61 61 PRO CG C 13 26.855 0.300 . 1 . . . . 61 PRO CG . 10162 1 572 . 1 1 61 61 PRO HG3 H 1 1.815 0.030 . 2 . . . . 61 PRO HG3 . 10162 1 573 . 1 1 61 61 PRO CD C 13 49.338 0.300 . 1 . . . . 61 PRO CD . 10162 1 574 . 1 1 61 61 PRO HD3 H 1 1.753 0.030 . 2 . . . . 61 PRO HD3 . 10162 1 575 . 1 1 61 61 PRO C C 13 175.925 0.300 . 1 . . . . 61 PRO C . 10162 1 576 . 1 1 61 61 PRO HB2 H 1 2.262 0.030 . 2 . . . . 61 PRO HB2 . 10162 1 577 . 1 1 61 61 PRO HD2 H 1 2.966 0.030 . 2 . . . . 61 PRO HD2 . 10162 1 578 . 1 1 61 61 PRO HG2 H 1 1.550 0.030 . 2 . . . . 61 PRO HG2 . 10162 1 579 . 1 1 62 62 SER N N 15 108.413 0.300 . 1 . . . . 62 SER N . 10162 1 580 . 1 1 62 62 SER H H 1 7.144 0.030 . 1 . . . . 62 SER H . 10162 1 581 . 1 1 62 62 SER CA C 13 57.037 0.300 . 1 . . . . 62 SER CA . 10162 1 582 . 1 1 62 62 SER HA H 1 4.596 0.030 . 1 . . . . 62 SER HA . 10162 1 583 . 1 1 62 62 SER CB C 13 66.522 0.300 . 1 . . . . 62 SER CB . 10162 1 584 . 1 1 62 62 SER HB3 H 1 3.823 0.030 . 2 . . . . 62 SER HB3 . 10162 1 585 . 1 1 62 62 SER C C 13 172.446 0.300 . 1 . . . . 62 SER C . 10162 1 586 . 1 1 62 62 SER HB2 H 1 3.766 0.030 . 2 . . . . 62 SER HB2 . 10162 1 587 . 1 1 63 63 LYS N N 15 122.539 0.300 . 1 . . . . 63 LYS N . 10162 1 588 . 1 1 63 63 LYS H H 1 8.620 0.030 . 1 . . . . 63 LYS H . 10162 1 589 . 1 1 63 63 LYS CA C 13 56.407 0.300 . 1 . . . . 63 LYS CA . 10162 1 590 . 1 1 63 63 LYS HA H 1 4.267 0.030 . 1 . . . . 63 LYS HA . 10162 1 591 . 1 1 63 63 LYS CB C 13 32.576 0.300 . 1 . . . . 63 LYS CB . 10162 1 592 . 1 1 63 63 LYS HB3 H 1 1.844 0.030 . 2 . . . . 63 LYS HB3 . 10162 1 593 . 1 1 63 63 LYS CG C 13 25.070 0.300 . 1 . . . . 63 LYS CG . 10162 1 594 . 1 1 63 63 LYS CD C 13 29.274 0.300 . 1 . . . . 63 LYS CD . 10162 1 595 . 1 1 63 63 LYS CE C 13 42.297 0.300 . 1 . . . . 63 LYS CE . 10162 1 596 . 1 1 63 63 LYS C C 13 176.658 0.300 . 1 . . . . 63 LYS C . 10162 1 597 . 1 1 63 63 LYS HB2 H 1 1.694 0.030 . 2 . . . . 63 LYS HB2 . 10162 1 598 . 1 1 63 63 LYS HD2 H 1 1.680 0.030 . 2 . . . . 63 LYS HD2 . 10162 1 599 . 1 1 63 63 LYS HE2 H 1 2.995 0.030 . 2 . . . . 63 LYS HE2 . 10162 1 600 . 1 1 63 63 LYS HG2 H 1 1.377 0.030 . 2 . . . . 63 LYS HG2 . 10162 1 601 . 1 1 64 64 VAL N N 15 120.278 0.300 . 1 . . . . 64 VAL N . 10162 1 602 . 1 1 64 64 VAL H H 1 8.554 0.030 . 1 . . . . 64 VAL H . 10162 1 603 . 1 1 64 64 VAL CA C 13 60.425 0.300 . 1 . . . . 64 VAL CA . 10162 1 604 . 1 1 64 64 VAL HA H 1 4.460 0.030 . 1 . . . . 64 VAL HA . 10162 1 605 . 1 1 64 64 VAL CB C 13 32.938 0.300 . 1 . . . . 64 VAL CB . 10162 1 606 . 1 1 64 64 VAL HB H 1 1.957 0.030 . 1 . . . . 64 VAL HB . 10162 1 607 . 1 1 64 64 VAL CG1 C 13 22.954 0.300 . 2 . . . . 64 VAL CG1 . 10162 1 608 . 1 1 64 64 VAL HG11 H 1 0.927 0.030 . 1 . . . . 64 VAL HG1 . 10162 1 609 . 1 1 64 64 VAL HG12 H 1 0.927 0.030 . 1 . . . . 64 VAL HG1 . 10162 1 610 . 1 1 64 64 VAL HG13 H 1 0.927 0.030 . 1 . . . . 64 VAL HG1 . 10162 1 611 . 1 1 64 64 VAL CG2 C 13 19.915 0.300 . 2 . . . . 64 VAL CG2 . 10162 1 612 . 1 1 64 64 VAL HG21 H 1 0.791 0.030 . 1 . . . . 64 VAL HG2 . 10162 1 613 . 1 1 64 64 VAL HG22 H 1 0.791 0.030 . 1 . . . . 64 VAL HG2 . 10162 1 614 . 1 1 64 64 VAL HG23 H 1 0.791 0.030 . 1 . . . . 64 VAL HG2 . 10162 1 615 . 1 1 64 64 VAL C C 13 176.629 0.300 . 1 . . . . 64 VAL C . 10162 1 616 . 1 1 65 65 LYS N N 15 121.529 0.300 . 1 . . . . 65 LYS N . 10162 1 617 . 1 1 65 65 LYS H H 1 8.139 0.030 . 1 . . . . 65 LYS H . 10162 1 618 . 1 1 65 65 LYS CA C 13 56.181 0.300 . 1 . . . . 65 LYS CA . 10162 1 619 . 1 1 65 65 LYS HA H 1 4.474 0.030 . 1 . . . . 65 LYS HA . 10162 1 620 . 1 1 65 65 LYS CB C 13 32.960 0.300 . 1 . . . . 65 LYS CB . 10162 1 621 . 1 1 65 65 LYS HB3 H 1 1.828 0.030 . 2 . . . . 65 LYS HB3 . 10162 1 622 . 1 1 65 65 LYS CG C 13 24.994 0.300 . 1 . . . . 65 LYS CG . 10162 1 623 . 1 1 65 65 LYS HG3 H 1 1.488 0.030 . 2 . . . . 65 LYS HG3 . 10162 1 624 . 1 1 65 65 LYS CD C 13 29.274 0.300 . 1 . . . . 65 LYS CD . 10162 1 625 . 1 1 65 65 LYS CE C 13 42.163 0.300 . 1 . . . . 65 LYS CE . 10162 1 626 . 1 1 65 65 LYS HE3 H 1 2.998 0.030 . 1 . . . . 65 LYS HE3 . 10162 1 627 . 1 1 65 65 LYS C C 13 176.309 0.300 . 1 . . . . 65 LYS C . 10162 1 628 . 1 1 65 65 LYS HB2 H 1 1.765 0.030 . 2 . . . . 65 LYS HB2 . 10162 1 629 . 1 1 65 65 LYS HD2 H 1 1.700 0.030 . 2 . . . . 65 LYS HD2 . 10162 1 630 . 1 1 65 65 LYS HE2 H 1 2.998 0.030 . 1 . . . . 65 LYS HE2 . 10162 1 631 . 1 1 65 65 LYS HG2 H 1 1.393 0.030 . 2 . . . . 65 LYS HG2 . 10162 1 632 . 1 1 66 66 MET N N 15 125.382 0.300 . 1 . . . . 66 MET N . 10162 1 633 . 1 1 66 66 MET H H 1 8.811 0.030 . 1 . . . . 66 MET H . 10162 1 634 . 1 1 66 66 MET CA C 13 55.055 0.300 . 1 . . . . 66 MET CA . 10162 1 635 . 1 1 66 66 MET HA H 1 5.393 0.030 . 1 . . . . 66 MET HA . 10162 1 636 . 1 1 66 66 MET CB C 13 37.398 0.300 . 1 . . . . 66 MET CB . 10162 1 637 . 1 1 66 66 MET HB3 H 1 1.927 0.030 . 2 . . . . 66 MET HB3 . 10162 1 638 . 1 1 66 66 MET CG C 13 31.773 0.300 . 1 . . . . 66 MET CG . 10162 1 639 . 1 1 66 66 MET HG3 H 1 2.319 0.030 . 2 . . . . 66 MET HG3 . 10162 1 640 . 1 1 66 66 MET CE C 13 17.122 0.300 . 1 . . . . 66 MET CE . 10162 1 641 . 1 1 66 66 MET HE1 H 1 1.763 0.030 . 1 . . . . 66 MET HE . 10162 1 642 . 1 1 66 66 MET HE2 H 1 1.763 0.030 . 1 . . . . 66 MET HE . 10162 1 643 . 1 1 66 66 MET HE3 H 1 1.763 0.030 . 1 . . . . 66 MET HE . 10162 1 644 . 1 1 66 66 MET C C 13 174.026 0.300 . 1 . . . . 66 MET C . 10162 1 645 . 1 1 66 66 MET HB2 H 1 1.848 0.030 . 2 . . . . 66 MET HB2 . 10162 1 646 . 1 1 66 66 MET HG2 H 1 2.250 0.030 . 2 . . . . 66 MET HG2 . 10162 1 647 . 1 1 67 67 ASP N N 15 122.714 0.300 . 1 . . . . 67 ASP N . 10162 1 648 . 1 1 67 67 ASP H H 1 8.995 0.030 . 1 . . . . 67 ASP H . 10162 1 649 . 1 1 67 67 ASP CA C 13 53.231 0.300 . 1 . . . . 67 ASP CA . 10162 1 650 . 1 1 67 67 ASP HA H 1 4.854 0.030 . 1 . . . . 67 ASP HA . 10162 1 651 . 1 1 67 67 ASP CB C 13 44.980 0.300 . 1 . . . . 67 ASP CB . 10162 1 652 . 1 1 67 67 ASP HB3 H 1 2.485 0.030 . 1 . . . . 67 ASP HB3 . 10162 1 653 . 1 1 67 67 ASP HB2 H 1 2.485 0.030 . 1 . . . . 67 ASP HB2 . 10162 1 654 . 1 1 68 68 CYS H H 1 8.412 0.030 . 1 . . . . 68 CYS H . 10162 1 655 . 1 1 68 68 CYS CA C 13 56.390 0.300 . 1 . . . . 68 CYS CA . 10162 1 656 . 1 1 68 68 CYS HA H 1 5.288 0.030 . 1 . . . . 68 CYS HA . 10162 1 657 . 1 1 68 68 CYS CB C 13 28.188 0.300 . 1 . . . . 68 CYS CB . 10162 1 658 . 1 1 68 68 CYS HB3 H 1 2.940 0.030 . 1 . . . . 68 CYS HB3 . 10162 1 659 . 1 1 68 68 CYS HB2 H 1 2.940 0.030 . 1 . . . . 68 CYS HB2 . 10162 1 660 . 1 1 69 69 GLN N N 15 125.044 0.300 . 1 . . . . 69 GLN N . 10162 1 661 . 1 1 69 69 GLN H H 1 9.116 0.030 . 1 . . . . 69 GLN H . 10162 1 662 . 1 1 69 69 GLN CA C 13 56.403 0.300 . 1 . . . . 69 GLN CA . 10162 1 663 . 1 1 69 69 GLN HA H 1 5.290 0.030 . 1 . . . . 69 GLN HA . 10162 1 664 . 1 1 69 69 GLN CB C 13 32.962 0.300 . 1 . . . . 69 GLN CB . 10162 1 665 . 1 1 69 69 GLN CG C 13 33.355 0.300 . 1 . . . . 69 GLN CG . 10162 1 666 . 1 1 69 69 GLN NE2 N 15 112.166 0.300 . 1 . . . . 69 GLN NE2 . 10162 1 667 . 1 1 69 69 GLN HE21 H 1 7.688 0.030 . 2 . . . . 69 GLN HE21 . 10162 1 668 . 1 1 69 69 GLN HE22 H 1 6.786 0.030 . 2 . . . . 69 GLN HE22 . 10162 1 669 . 1 1 69 69 GLN HB2 H 1 1.815 0.030 . 2 . . . . 69 GLN HB2 . 10162 1 670 . 1 1 69 69 GLN HG2 H 1 2.240 0.030 . 2 . . . . 69 GLN HG2 . 10162 1 671 . 1 1 70 70 GLU N N 15 125.781 0.300 . 1 . . . . 70 GLU N . 10162 1 672 . 1 1 70 70 GLU H H 1 8.979 0.030 . 1 . . . . 70 GLU H . 10162 1 673 . 1 1 70 70 GLU CA C 13 56.418 0.300 . 1 . . . . 70 GLU CA . 10162 1 674 . 1 1 70 70 GLU HA H 1 4.029 0.030 . 1 . . . . 70 GLU HA . 10162 1 675 . 1 1 70 70 GLU CB C 13 30.585 0.300 . 1 . . . . 70 GLU CB . 10162 1 676 . 1 1 70 70 GLU HB3 H 1 1.907 0.030 . 1 . . . . 70 GLU HB3 . 10162 1 677 . 1 1 70 70 GLU CG C 13 36.745 0.300 . 1 . . . . 70 GLU CG . 10162 1 678 . 1 1 70 70 GLU HG3 H 1 2.148 0.030 . 1 . . . . 70 GLU HG3 . 10162 1 679 . 1 1 70 70 GLU HB2 H 1 1.907 0.030 . 1 . . . . 70 GLU HB2 . 10162 1 680 . 1 1 70 70 GLU HG2 H 1 2.148 0.030 . 1 . . . . 70 GLU HG2 . 10162 1 681 . 1 1 71 71 THR N N 15 118.158 0.300 . 1 . . . . 71 THR N . 10162 1 682 . 1 1 71 71 THR H H 1 8.455 0.030 . 1 . . . . 71 THR H . 10162 1 683 . 1 1 71 71 THR CA C 13 59.209 0.300 . 1 . . . . 71 THR CA . 10162 1 684 . 1 1 71 71 THR HA H 1 4.902 0.030 . 1 . . . . 71 THR HA . 10162 1 685 . 1 1 71 71 THR CB C 13 68.926 0.300 . 1 . . . . 71 THR CB . 10162 1 686 . 1 1 71 71 THR HB H 1 4.611 0.030 . 1 . . . . 71 THR HB . 10162 1 687 . 1 1 71 71 THR CG2 C 13 22.167 0.300 . 1 . . . . 71 THR CG2 . 10162 1 688 . 1 1 71 71 THR HG21 H 1 1.197 0.030 . 1 . . . . 71 THR HG2 . 10162 1 689 . 1 1 71 71 THR HG22 H 1 1.197 0.030 . 1 . . . . 71 THR HG2 . 10162 1 690 . 1 1 71 71 THR HG23 H 1 1.197 0.030 . 1 . . . . 71 THR HG2 . 10162 1 691 . 1 1 72 72 PRO CA C 13 65.290 0.300 . 1 . . . . 72 PRO CA . 10162 1 692 . 1 1 72 72 PRO HA H 1 4.296 0.030 . 1 . . . . 72 PRO HA . 10162 1 693 . 1 1 72 72 PRO CB C 13 31.848 0.300 . 1 . . . . 72 PRO CB . 10162 1 694 . 1 1 72 72 PRO HB3 H 1 2.411 0.030 . 2 . . . . 72 PRO HB3 . 10162 1 695 . 1 1 72 72 PRO CG C 13 28.144 0.300 . 1 . . . . 72 PRO CG . 10162 1 696 . 1 1 72 72 PRO HG3 H 1 1.935 0.030 . 2 . . . . 72 PRO HG3 . 10162 1 697 . 1 1 72 72 PRO CD C 13 50.681 0.300 . 1 . . . . 72 PRO CD . 10162 1 698 . 1 1 72 72 PRO HD3 H 1 3.770 0.030 . 2 . . . . 72 PRO HD3 . 10162 1 699 . 1 1 72 72 PRO C C 13 177.476 0.300 . 1 . . . . 72 PRO C . 10162 1 700 . 1 1 72 72 PRO HB2 H 1 1.837 0.030 . 2 . . . . 72 PRO HB2 . 10162 1 701 . 1 1 72 72 PRO HD2 H 1 3.863 0.030 . 2 . . . . 72 PRO HD2 . 10162 1 702 . 1 1 72 72 PRO HG2 H 1 2.121 0.030 . 2 . . . . 72 PRO HG2 . 10162 1 703 . 1 1 73 73 GLU N N 15 112.293 0.300 . 1 . . . . 73 GLU N . 10162 1 704 . 1 1 73 73 GLU H H 1 7.562 0.030 . 1 . . . . 73 GLU H . 10162 1 705 . 1 1 73 73 GLU CA C 13 55.577 0.300 . 1 . . . . 73 GLU CA . 10162 1 706 . 1 1 73 73 GLU HA H 1 4.370 0.030 . 1 . . . . 73 GLU HA . 10162 1 707 . 1 1 73 73 GLU CB C 13 30.787 0.300 . 1 . . . . 73 GLU CB . 10162 1 708 . 1 1 73 73 GLU HB3 H 1 2.160 0.030 . 2 . . . . 73 GLU HB3 . 10162 1 709 . 1 1 73 73 GLU CG C 13 36.527 0.300 . 1 . . . . 73 GLU CG . 10162 1 710 . 1 1 73 73 GLU HG3 H 1 2.257 0.030 . 2 . . . . 73 GLU HG3 . 10162 1 711 . 1 1 73 73 GLU C C 13 174.438 0.300 . 1 . . . . 73 GLU C . 10162 1 712 . 1 1 73 73 GLU HB2 H 1 2.002 0.030 . 2 . . . . 73 GLU HB2 . 10162 1 713 . 1 1 73 73 GLU HG2 H 1 2.131 0.030 . 2 . . . . 73 GLU HG2 . 10162 1 714 . 1 1 74 74 GLY N N 15 109.223 0.300 . 1 . . . . 74 GLY N . 10162 1 715 . 1 1 74 74 GLY H H 1 7.324 0.030 . 1 . . . . 74 GLY H . 10162 1 716 . 1 1 74 74 GLY CA C 13 47.146 0.300 . 1 . . . . 74 GLY CA . 10162 1 717 . 1 1 74 74 GLY HA3 H 1 3.551 0.030 . 2 . . . . 74 GLY HA3 . 10162 1 718 . 1 1 74 74 GLY C C 13 172.589 0.300 . 1 . . . . 74 GLY C . 10162 1 719 . 1 1 74 74 GLY HA2 H 1 4.949 0.030 . 2 . . . . 74 GLY HA2 . 10162 1 720 . 1 1 75 75 TYR N N 15 123.117 0.300 . 1 . . . . 75 TYR N . 10162 1 721 . 1 1 75 75 TYR H H 1 8.883 0.030 . 1 . . . . 75 TYR H . 10162 1 722 . 1 1 75 75 TYR CA C 13 57.566 0.300 . 1 . . . . 75 TYR CA . 10162 1 723 . 1 1 75 75 TYR HA H 1 5.171 0.030 . 1 . . . . 75 TYR HA . 10162 1 724 . 1 1 75 75 TYR CB C 13 44.111 0.300 . 1 . . . . 75 TYR CB . 10162 1 725 . 1 1 75 75 TYR HB3 H 1 2.281 0.030 . 2 . . . . 75 TYR HB3 . 10162 1 726 . 1 1 75 75 TYR CD1 C 13 132.514 0.300 . 1 . . . . 75 TYR CD1 . 10162 1 727 . 1 1 75 75 TYR HD1 H 1 6.703 0.030 . 1 . . . . 75 TYR HD1 . 10162 1 728 . 1 1 75 75 TYR CD2 C 13 132.514 0.300 . 1 . . . . 75 TYR CD2 . 10162 1 729 . 1 1 75 75 TYR HD2 H 1 6.703 0.030 . 1 . . . . 75 TYR HD2 . 10162 1 730 . 1 1 75 75 TYR CE1 C 13 118.269 0.300 . 1 . . . . 75 TYR CE1 . 10162 1 731 . 1 1 75 75 TYR HE1 H 1 6.826 0.030 . 1 . . . . 75 TYR HE1 . 10162 1 732 . 1 1 75 75 TYR CE2 C 13 118.269 0.300 . 1 . . . . 75 TYR CE2 . 10162 1 733 . 1 1 75 75 TYR HE2 H 1 6.826 0.030 . 1 . . . . 75 TYR HE2 . 10162 1 734 . 1 1 75 75 TYR C C 13 173.925 0.300 . 1 . . . . 75 TYR C . 10162 1 735 . 1 1 75 75 TYR HB2 H 1 2.718 0.030 . 2 . . . . 75 TYR HB2 . 10162 1 736 . 1 1 76 76 LYS N N 15 124.633 0.300 . 1 . . . . 76 LYS N . 10162 1 737 . 1 1 76 76 LYS H H 1 9.390 0.030 . 1 . . . . 76 LYS H . 10162 1 738 . 1 1 76 76 LYS CA C 13 55.055 0.300 . 1 . . . . 76 LYS CA . 10162 1 739 . 1 1 76 76 LYS HA H 1 4.594 0.030 . 1 . . . . 76 LYS HA . 10162 1 740 . 1 1 76 76 LYS CB C 13 35.124 0.300 . 1 . . . . 76 LYS CB . 10162 1 741 . 1 1 76 76 LYS HB3 H 1 1.630 0.030 . 2 . . . . 76 LYS HB3 . 10162 1 742 . 1 1 76 76 LYS CG C 13 25.014 0.300 . 1 . . . . 76 LYS CG . 10162 1 743 . 1 1 76 76 LYS HG3 H 1 0.813 0.030 . 2 . . . . 76 LYS HG3 . 10162 1 744 . 1 1 76 76 LYS CD C 13 29.603 0.300 . 1 . . . . 76 LYS CD . 10162 1 745 . 1 1 76 76 LYS HD3 H 1 1.518 0.030 . 2 . . . . 76 LYS HD3 . 10162 1 746 . 1 1 76 76 LYS CE C 13 42.174 0.300 . 1 . . . . 76 LYS CE . 10162 1 747 . 1 1 76 76 LYS HE3 H 1 2.683 0.030 . 1 . . . . 76 LYS HE3 . 10162 1 748 . 1 1 76 76 LYS C C 13 174.069 0.300 . 1 . . . . 76 LYS C . 10162 1 749 . 1 1 76 76 LYS HB2 H 1 1.517 0.030 . 2 . . . . 76 LYS HB2 . 10162 1 750 . 1 1 76 76 LYS HD2 H 1 1.595 0.030 . 2 . . . . 76 LYS HD2 . 10162 1 751 . 1 1 76 76 LYS HE2 H 1 2.683 0.030 . 1 . . . . 76 LYS HE2 . 10162 1 752 . 1 1 76 76 LYS HG2 H 1 0.748 0.030 . 2 . . . . 76 LYS HG2 . 10162 1 753 . 1 1 77 77 VAL N N 15 126.947 0.300 . 1 . . . . 77 VAL N . 10162 1 754 . 1 1 77 77 VAL H H 1 8.607 0.030 . 1 . . . . 77 VAL H . 10162 1 755 . 1 1 77 77 VAL CA C 13 60.894 0.300 . 1 . . . . 77 VAL CA . 10162 1 756 . 1 1 77 77 VAL HA H 1 4.280 0.030 . 1 . . . . 77 VAL HA . 10162 1 757 . 1 1 77 77 VAL CB C 13 32.115 0.300 . 1 . . . . 77 VAL CB . 10162 1 758 . 1 1 77 77 VAL HB H 1 -0.078 0.030 . 1 . . . . 77 VAL HB . 10162 1 759 . 1 1 77 77 VAL CG1 C 13 22.302 0.300 . 2 . . . . 77 VAL CG1 . 10162 1 760 . 1 1 77 77 VAL HG11 H 1 0.551 0.030 . 1 . . . . 77 VAL HG1 . 10162 1 761 . 1 1 77 77 VAL HG12 H 1 0.551 0.030 . 1 . . . . 77 VAL HG1 . 10162 1 762 . 1 1 77 77 VAL HG13 H 1 0.551 0.030 . 1 . . . . 77 VAL HG1 . 10162 1 763 . 1 1 77 77 VAL CG2 C 13 21.638 0.300 . 2 . . . . 77 VAL CG2 . 10162 1 764 . 1 1 77 77 VAL HG21 H 1 0.488 0.030 . 1 . . . . 77 VAL HG2 . 10162 1 765 . 1 1 77 77 VAL HG22 H 1 0.488 0.030 . 1 . . . . 77 VAL HG2 . 10162 1 766 . 1 1 77 77 VAL HG23 H 1 0.488 0.030 . 1 . . . . 77 VAL HG2 . 10162 1 767 . 1 1 77 77 VAL C C 13 173.586 0.300 . 1 . . . . 77 VAL C . 10162 1 768 . 1 1 78 78 MET N N 15 123.986 0.300 . 1 . . . . 78 MET N . 10162 1 769 . 1 1 78 78 MET H H 1 8.410 0.030 . 1 . . . . 78 MET H . 10162 1 770 . 1 1 78 78 MET CA C 13 53.236 0.300 . 1 . . . . 78 MET CA . 10162 1 771 . 1 1 78 78 MET HA H 1 5.290 0.030 . 1 . . . . 78 MET HA . 10162 1 772 . 1 1 78 78 MET CB C 13 36.873 0.300 . 1 . . . . 78 MET CB . 10162 1 773 . 1 1 78 78 MET HB3 H 1 1.798 0.030 . 2 . . . . 78 MET HB3 . 10162 1 774 . 1 1 78 78 MET CG C 13 32.442 0.300 . 1 . . . . 78 MET CG . 10162 1 775 . 1 1 78 78 MET HG3 H 1 2.396 0.030 . 2 . . . . 78 MET HG3 . 10162 1 776 . 1 1 78 78 MET CE C 13 16.975 0.300 . 1 . . . . 78 MET CE . 10162 1 777 . 1 1 78 78 MET HE1 H 1 1.754 0.030 . 1 . . . . 78 MET HE . 10162 1 778 . 1 1 78 78 MET HE2 H 1 1.754 0.030 . 1 . . . . 78 MET HE . 10162 1 779 . 1 1 78 78 MET HE3 H 1 1.754 0.030 . 1 . . . . 78 MET HE . 10162 1 780 . 1 1 78 78 MET C C 13 174.665 0.300 . 1 . . . . 78 MET C . 10162 1 781 . 1 1 78 78 MET HB2 H 1 1.688 0.030 . 2 . . . . 78 MET HB2 . 10162 1 782 . 1 1 78 78 MET HG2 H 1 1.986 0.030 . 2 . . . . 78 MET HG2 . 10162 1 783 . 1 1 79 79 TYR N N 15 117.488 0.300 . 1 . . . . 79 TYR N . 10162 1 784 . 1 1 79 79 TYR H H 1 8.739 0.030 . 1 . . . . 79 TYR H . 10162 1 785 . 1 1 79 79 TYR CA C 13 56.011 0.300 . 1 . . . . 79 TYR CA . 10162 1 786 . 1 1 79 79 TYR HA H 1 5.654 0.030 . 1 . . . . 79 TYR HA . 10162 1 787 . 1 1 79 79 TYR CB C 13 41.549 0.300 . 1 . . . . 79 TYR CB . 10162 1 788 . 1 1 79 79 TYR HB3 H 1 2.711 0.030 . 2 . . . . 79 TYR HB3 . 10162 1 789 . 1 1 79 79 TYR CD1 C 13 132.453 0.300 . 1 . . . . 79 TYR CD1 . 10162 1 790 . 1 1 79 79 TYR HD1 H 1 6.379 0.030 . 1 . . . . 79 TYR HD1 . 10162 1 791 . 1 1 79 79 TYR CD2 C 13 132.453 0.300 . 1 . . . . 79 TYR CD2 . 10162 1 792 . 1 1 79 79 TYR HD2 H 1 6.379 0.030 . 1 . . . . 79 TYR HD2 . 10162 1 793 . 1 1 79 79 TYR CE1 C 13 116.280 0.300 . 1 . . . . 79 TYR CE1 . 10162 1 794 . 1 1 79 79 TYR HE1 H 1 6.137 0.030 . 1 . . . . 79 TYR HE1 . 10162 1 795 . 1 1 79 79 TYR CE2 C 13 116.280 0.300 . 1 . . . . 79 TYR CE2 . 10162 1 796 . 1 1 79 79 TYR HE2 H 1 6.137 0.030 . 1 . . . . 79 TYR HE2 . 10162 1 797 . 1 1 79 79 TYR C C 13 172.927 0.300 . 1 . . . . 79 TYR C . 10162 1 798 . 1 1 79 79 TYR HB2 H 1 2.555 0.030 . 2 . . . . 79 TYR HB2 . 10162 1 799 . 1 1 80 80 THR H H 1 8.383 0.030 . 1 . . . . 80 THR H . 10162 1 800 . 1 1 80 80 THR CA C 13 58.611 0.300 . 1 . . . . 80 THR CA . 10162 1 801 . 1 1 80 80 THR HA H 1 4.978 0.030 . 1 . . . . 80 THR HA . 10162 1 802 . 1 1 80 80 THR CB C 13 70.258 0.300 . 1 . . . . 80 THR CB . 10162 1 803 . 1 1 80 80 THR HB H 1 3.955 0.030 . 1 . . . . 80 THR HB . 10162 1 804 . 1 1 80 80 THR CG2 C 13 20.164 0.300 . 1 . . . . 80 THR CG2 . 10162 1 805 . 1 1 80 80 THR HG21 H 1 0.820 0.030 . 1 . . . . 80 THR HG2 . 10162 1 806 . 1 1 80 80 THR HG22 H 1 0.820 0.030 . 1 . . . . 80 THR HG2 . 10162 1 807 . 1 1 80 80 THR HG23 H 1 0.820 0.030 . 1 . . . . 80 THR HG2 . 10162 1 808 . 1 1 81 81 PRO CA C 13 61.531 0.300 . 1 . . . . 81 PRO CA . 10162 1 809 . 1 1 81 81 PRO HA H 1 4.532 0.030 . 1 . . . . 81 PRO HA . 10162 1 810 . 1 1 81 81 PRO CB C 13 32.774 0.300 . 1 . . . . 81 PRO CB . 10162 1 811 . 1 1 81 81 PRO HB3 H 1 1.440 0.030 . 2 . . . . 81 PRO HB3 . 10162 1 812 . 1 1 81 81 PRO CG C 13 27.010 0.300 . 1 . . . . 81 PRO CG . 10162 1 813 . 1 1 81 81 PRO HG3 H 1 1.943 0.030 . 2 . . . . 81 PRO HG3 . 10162 1 814 . 1 1 81 81 PRO CD C 13 50.607 0.300 . 1 . . . . 81 PRO CD . 10162 1 815 . 1 1 81 81 PRO HD3 H 1 3.456 0.030 . 2 . . . . 81 PRO HD3 . 10162 1 816 . 1 1 81 81 PRO HB2 H 1 1.700 0.030 . 2 . . . . 81 PRO HB2 . 10162 1 817 . 1 1 81 81 PRO HD2 H 1 4.319 0.030 . 2 . . . . 81 PRO HD2 . 10162 1 818 . 1 1 81 81 PRO HG2 H 1 1.671 0.030 . 2 . . . . 81 PRO HG2 . 10162 1 819 . 1 1 82 82 MET N N 15 117.590 0.300 . 1 . . . . 82 MET N . 10162 1 820 . 1 1 82 82 MET H H 1 8.299 0.030 . 1 . . . . 82 MET H . 10162 1 821 . 1 1 82 82 MET CA C 13 53.882 0.300 . 1 . . . . 82 MET CA . 10162 1 822 . 1 1 82 82 MET HA H 1 4.851 0.030 . 1 . . . . 82 MET HA . 10162 1 823 . 1 1 82 82 MET CB C 13 33.337 0.300 . 1 . . . . 82 MET CB . 10162 1 824 . 1 1 82 82 MET HB3 H 1 1.859 0.030 . 2 . . . . 82 MET HB3 . 10162 1 825 . 1 1 82 82 MET CG C 13 32.386 0.300 . 1 . . . . 82 MET CG . 10162 1 826 . 1 1 82 82 MET HG3 H 1 2.749 0.030 . 2 . . . . 82 MET HG3 . 10162 1 827 . 1 1 82 82 MET CE C 13 17.573 0.300 . 1 . . . . 82 MET CE . 10162 1 828 . 1 1 82 82 MET HE1 H 1 2.052 0.030 . 1 . . . . 82 MET HE . 10162 1 829 . 1 1 82 82 MET HE2 H 1 2.052 0.030 . 1 . . . . 82 MET HE . 10162 1 830 . 1 1 82 82 MET HE3 H 1 2.052 0.030 . 1 . . . . 82 MET HE . 10162 1 831 . 1 1 82 82 MET C C 13 174.339 0.300 . 1 . . . . 82 MET C . 10162 1 832 . 1 1 82 82 MET HB2 H 1 2.292 0.030 . 2 . . . . 82 MET HB2 . 10162 1 833 . 1 1 82 82 MET HG2 H 1 2.475 0.030 . 2 . . . . 82 MET HG2 . 10162 1 834 . 1 1 83 83 ALA N N 15 119.196 0.300 . 1 . . . . 83 ALA N . 10162 1 835 . 1 1 83 83 ALA H H 1 7.076 0.030 . 1 . . . . 83 ALA H . 10162 1 836 . 1 1 83 83 ALA CA C 13 49.425 0.300 . 1 . . . . 83 ALA CA . 10162 1 837 . 1 1 83 83 ALA HA H 1 4.791 0.030 . 1 . . . . 83 ALA HA . 10162 1 838 . 1 1 83 83 ALA CB C 13 20.682 0.300 . 1 . . . . 83 ALA CB . 10162 1 839 . 1 1 83 83 ALA HB1 H 1 1.322 0.030 . 1 . . . . 83 ALA HB . 10162 1 840 . 1 1 83 83 ALA HB2 H 1 1.322 0.030 . 1 . . . . 83 ALA HB . 10162 1 841 . 1 1 83 83 ALA HB3 H 1 1.322 0.030 . 1 . . . . 83 ALA HB . 10162 1 842 . 1 1 83 83 ALA C C 13 174.364 0.300 . 1 . . . . 83 ALA C . 10162 1 843 . 1 1 84 84 PRO CA C 13 62.540 0.300 . 1 . . . . 84 PRO CA . 10162 1 844 . 1 1 84 84 PRO HA H 1 4.244 0.030 . 1 . . . . 84 PRO HA . 10162 1 845 . 1 1 84 84 PRO CB C 13 32.615 0.300 . 1 . . . . 84 PRO CB . 10162 1 846 . 1 1 84 84 PRO HB3 H 1 2.159 0.030 . 1 . . . . 84 PRO HB3 . 10162 1 847 . 1 1 84 84 PRO CG C 13 26.777 0.300 . 1 . . . . 84 PRO CG . 10162 1 848 . 1 1 84 84 PRO HG3 H 1 2.023 0.030 . 2 . . . . 84 PRO HG3 . 10162 1 849 . 1 1 84 84 PRO CD C 13 50.335 0.300 . 1 . . . . 84 PRO CD . 10162 1 850 . 1 1 84 84 PRO HD3 H 1 3.386 0.030 . 2 . . . . 84 PRO HD3 . 10162 1 851 . 1 1 84 84 PRO C C 13 174.214 0.300 . 1 . . . . 84 PRO C . 10162 1 852 . 1 1 84 84 PRO HB2 H 1 2.159 0.030 . 1 . . . . 84 PRO HB2 . 10162 1 853 . 1 1 84 84 PRO HD2 H 1 3.702 0.030 . 2 . . . . 84 PRO HD2 . 10162 1 854 . 1 1 84 84 PRO HG2 H 1 2.181 0.030 . 2 . . . . 84 PRO HG2 . 10162 1 855 . 1 1 85 85 GLY N N 15 105.436 0.300 . 1 . . . . 85 GLY N . 10162 1 856 . 1 1 85 85 GLY H H 1 8.855 0.030 . 1 . . . . 85 GLY H . 10162 1 857 . 1 1 85 85 GLY CA C 13 44.156 0.300 . 1 . . . . 85 GLY CA . 10162 1 858 . 1 1 85 85 GLY HA3 H 1 3.761 0.030 . 2 . . . . 85 GLY HA3 . 10162 1 859 . 1 1 85 85 GLY C C 13 171.801 0.300 . 1 . . . . 85 GLY C . 10162 1 860 . 1 1 85 85 GLY HA2 H 1 4.515 0.030 . 2 . . . . 85 GLY HA2 . 10162 1 861 . 1 1 86 86 ASN N N 15 119.042 0.300 . 1 . . . . 86 ASN N . 10162 1 862 . 1 1 86 86 ASN H H 1 8.573 0.030 . 1 . . . . 86 ASN H . 10162 1 863 . 1 1 86 86 ASN CA C 13 52.499 0.300 . 1 . . . . 86 ASN CA . 10162 1 864 . 1 1 86 86 ASN HA H 1 5.517 0.030 . 1 . . . . 86 ASN HA . 10162 1 865 . 1 1 86 86 ASN CB C 13 39.390 0.300 . 1 . . . . 86 ASN CB . 10162 1 866 . 1 1 86 86 ASN HB3 H 1 2.637 0.030 . 2 . . . . 86 ASN HB3 . 10162 1 867 . 1 1 86 86 ASN ND2 N 15 113.645 0.300 . 1 . . . . 86 ASN ND2 . 10162 1 868 . 1 1 86 86 ASN HD21 H 1 7.604 0.030 . 2 . . . . 86 ASN HD21 . 10162 1 869 . 1 1 86 86 ASN HD22 H 1 6.886 0.030 . 2 . . . . 86 ASN HD22 . 10162 1 870 . 1 1 86 86 ASN C C 13 174.453 0.300 . 1 . . . . 86 ASN C . 10162 1 871 . 1 1 86 86 ASN HB2 H 1 2.522 0.030 . 2 . . . . 86 ASN HB2 . 10162 1 872 . 1 1 87 87 TYR N N 15 122.992 0.300 . 1 . . . . 87 TYR N . 10162 1 873 . 1 1 87 87 TYR H H 1 9.369 0.030 . 1 . . . . 87 TYR H . 10162 1 874 . 1 1 87 87 TYR CA C 13 56.366 0.300 . 1 . . . . 87 TYR CA . 10162 1 875 . 1 1 87 87 TYR HA H 1 5.140 0.030 . 1 . . . . 87 TYR HA . 10162 1 876 . 1 1 87 87 TYR CB C 13 40.267 0.300 . 1 . . . . 87 TYR CB . 10162 1 877 . 1 1 87 87 TYR HB3 H 1 2.465 0.030 . 2 . . . . 87 TYR HB3 . 10162 1 878 . 1 1 87 87 TYR CD1 C 13 133.767 0.300 . 1 . . . . 87 TYR CD1 . 10162 1 879 . 1 1 87 87 TYR HD1 H 1 6.998 0.030 . 1 . . . . 87 TYR HD1 . 10162 1 880 . 1 1 87 87 TYR CD2 C 13 133.767 0.300 . 1 . . . . 87 TYR CD2 . 10162 1 881 . 1 1 87 87 TYR HD2 H 1 6.998 0.030 . 1 . . . . 87 TYR HD2 . 10162 1 882 . 1 1 87 87 TYR CE1 C 13 116.557 0.300 . 1 . . . . 87 TYR CE1 . 10162 1 883 . 1 1 87 87 TYR HE1 H 1 6.808 0.030 . 1 . . . . 87 TYR HE1 . 10162 1 884 . 1 1 87 87 TYR CE2 C 13 116.557 0.300 . 1 . . . . 87 TYR CE2 . 10162 1 885 . 1 1 87 87 TYR HE2 H 1 6.808 0.030 . 1 . . . . 87 TYR HE2 . 10162 1 886 . 1 1 87 87 TYR C C 13 174.332 0.300 . 1 . . . . 87 TYR C . 10162 1 887 . 1 1 87 87 TYR HB2 H 1 2.808 0.030 . 2 . . . . 87 TYR HB2 . 10162 1 888 . 1 1 88 88 LEU N N 15 124.720 0.300 . 1 . . . . 88 LEU N . 10162 1 889 . 1 1 88 88 LEU H H 1 9.306 0.030 . 1 . . . . 88 LEU H . 10162 1 890 . 1 1 88 88 LEU CA C 13 53.426 0.300 . 1 . . . . 88 LEU CA . 10162 1 891 . 1 1 88 88 LEU HA H 1 5.253 0.030 . 1 . . . . 88 LEU HA . 10162 1 892 . 1 1 88 88 LEU CB C 13 44.487 0.300 . 1 . . . . 88 LEU CB . 10162 1 893 . 1 1 88 88 LEU HB3 H 1 1.607 0.030 . 2 . . . . 88 LEU HB3 . 10162 1 894 . 1 1 88 88 LEU CG C 13 27.373 0.300 . 1 . . . . 88 LEU CG . 10162 1 895 . 1 1 88 88 LEU HG H 1 1.463 0.030 . 1 . . . . 88 LEU HG . 10162 1 896 . 1 1 88 88 LEU CD1 C 13 24.626 0.300 . 1 . . . . 88 LEU CD1 . 10162 1 897 . 1 1 88 88 LEU HD11 H 1 0.805 0.030 . 1 . . . . 88 LEU HD1 . 10162 1 898 . 1 1 88 88 LEU HD12 H 1 0.805 0.030 . 1 . . . . 88 LEU HD1 . 10162 1 899 . 1 1 88 88 LEU HD13 H 1 0.805 0.030 . 1 . . . . 88 LEU HD1 . 10162 1 900 . 1 1 88 88 LEU CD2 C 13 24.626 0.300 . 1 . . . . 88 LEU CD2 . 10162 1 901 . 1 1 88 88 LEU HD21 H 1 0.805 0.030 . 1 . . . . 88 LEU HD2 . 10162 1 902 . 1 1 88 88 LEU HD22 H 1 0.805 0.030 . 1 . . . . 88 LEU HD2 . 10162 1 903 . 1 1 88 88 LEU HD23 H 1 0.805 0.030 . 1 . . . . 88 LEU HD2 . 10162 1 904 . 1 1 88 88 LEU C C 13 177.074 0.300 . 1 . . . . 88 LEU C . 10162 1 905 . 1 1 88 88 LEU HB2 H 1 1.554 0.030 . 2 . . . . 88 LEU HB2 . 10162 1 906 . 1 1 89 89 ILE N N 15 130.469 0.300 . 1 . . . . 89 ILE N . 10162 1 907 . 1 1 89 89 ILE H H 1 9.807 0.030 . 1 . . . . 89 ILE H . 10162 1 908 . 1 1 89 89 ILE CA C 13 60.792 0.300 . 1 . . . . 89 ILE CA . 10162 1 909 . 1 1 89 89 ILE HA H 1 4.851 0.030 . 1 . . . . 89 ILE HA . 10162 1 910 . 1 1 89 89 ILE CB C 13 39.662 0.300 . 1 . . . . 89 ILE CB . 10162 1 911 . 1 1 89 89 ILE HB H 1 1.923 0.030 . 1 . . . . 89 ILE HB . 10162 1 912 . 1 1 89 89 ILE CG1 C 13 27.402 0.300 . 1 . . . . 89 ILE CG1 . 10162 1 913 . 1 1 89 89 ILE HG13 H 1 0.614 0.030 . 2 . . . . 89 ILE HG13 . 10162 1 914 . 1 1 89 89 ILE CG2 C 13 17.121 0.300 . 1 . . . . 89 ILE CG2 . 10162 1 915 . 1 1 89 89 ILE HG21 H 1 0.497 0.030 . 1 . . . . 89 ILE HG2 . 10162 1 916 . 1 1 89 89 ILE HG22 H 1 0.497 0.030 . 1 . . . . 89 ILE HG2 . 10162 1 917 . 1 1 89 89 ILE HG23 H 1 0.497 0.030 . 1 . . . . 89 ILE HG2 . 10162 1 918 . 1 1 89 89 ILE CD1 C 13 14.823 0.300 . 1 . . . . 89 ILE CD1 . 10162 1 919 . 1 1 89 89 ILE HD11 H 1 0.585 0.030 . 1 . . . . 89 ILE HD1 . 10162 1 920 . 1 1 89 89 ILE HD12 H 1 0.585 0.030 . 1 . . . . 89 ILE HD1 . 10162 1 921 . 1 1 89 89 ILE HD13 H 1 0.585 0.030 . 1 . . . . 89 ILE HD1 . 10162 1 922 . 1 1 89 89 ILE C C 13 175.605 0.300 . 1 . . . . 89 ILE C . 10162 1 923 . 1 1 89 89 ILE HG12 H 1 1.448 0.030 . 2 . . . . 89 ILE HG12 . 10162 1 924 . 1 1 90 90 SER N N 15 123.845 0.300 . 1 . . . . 90 SER N . 10162 1 925 . 1 1 90 90 SER H H 1 9.540 0.030 . 1 . . . . 90 SER H . 10162 1 926 . 1 1 90 90 SER CA C 13 58.036 0.300 . 1 . . . . 90 SER CA . 10162 1 927 . 1 1 90 90 SER HA H 1 5.199 0.030 . 1 . . . . 90 SER HA . 10162 1 928 . 1 1 90 90 SER CB C 13 64.133 0.300 . 1 . . . . 90 SER CB . 10162 1 929 . 1 1 90 90 SER HB3 H 1 3.452 0.030 . 2 . . . . 90 SER HB3 . 10162 1 930 . 1 1 90 90 SER C C 13 173.566 0.300 . 1 . . . . 90 SER C . 10162 1 931 . 1 1 90 90 SER HB2 H 1 3.952 0.030 . 2 . . . . 90 SER HB2 . 10162 1 932 . 1 1 91 91 VAL N N 15 128.427 0.300 . 1 . . . . 91 VAL N . 10162 1 933 . 1 1 91 91 VAL H H 1 9.918 0.030 . 1 . . . . 91 VAL H . 10162 1 934 . 1 1 91 91 VAL CA C 13 61.447 0.300 . 1 . . . . 91 VAL CA . 10162 1 935 . 1 1 91 91 VAL HA H 1 4.837 0.030 . 1 . . . . 91 VAL HA . 10162 1 936 . 1 1 91 91 VAL CB C 13 33.761 0.300 . 1 . . . . 91 VAL CB . 10162 1 937 . 1 1 91 91 VAL HB H 1 2.137 0.030 . 1 . . . . 91 VAL HB . 10162 1 938 . 1 1 91 91 VAL CG1 C 13 22.382 0.300 . 2 . . . . 91 VAL CG1 . 10162 1 939 . 1 1 91 91 VAL HG11 H 1 0.957 0.030 . 1 . . . . 91 VAL HG1 . 10162 1 940 . 1 1 91 91 VAL HG12 H 1 0.957 0.030 . 1 . . . . 91 VAL HG1 . 10162 1 941 . 1 1 91 91 VAL HG13 H 1 0.957 0.030 . 1 . . . . 91 VAL HG1 . 10162 1 942 . 1 1 91 91 VAL CG2 C 13 20.701 0.300 . 2 . . . . 91 VAL CG2 . 10162 1 943 . 1 1 91 91 VAL HG21 H 1 1.016 0.030 . 1 . . . . 91 VAL HG2 . 10162 1 944 . 1 1 91 91 VAL HG22 H 1 1.016 0.030 . 1 . . . . 91 VAL HG2 . 10162 1 945 . 1 1 91 91 VAL HG23 H 1 1.016 0.030 . 1 . . . . 91 VAL HG2 . 10162 1 946 . 1 1 91 91 VAL C C 13 173.296 0.300 . 1 . . . . 91 VAL C . 10162 1 947 . 1 1 92 92 LYS N N 15 125.779 0.300 . 1 . . . . 92 LYS N . 10162 1 948 . 1 1 92 92 LYS H H 1 8.892 0.030 . 1 . . . . 92 LYS H . 10162 1 949 . 1 1 92 92 LYS CA C 13 54.468 0.300 . 1 . . . . 92 LYS CA . 10162 1 950 . 1 1 92 92 LYS HA H 1 5.065 0.030 . 1 . . . . 92 LYS HA . 10162 1 951 . 1 1 92 92 LYS CB C 13 36.106 0.300 . 1 . . . . 92 LYS CB . 10162 1 952 . 1 1 92 92 LYS HB3 H 1 1.732 0.030 . 2 . . . . 92 LYS HB3 . 10162 1 953 . 1 1 92 92 LYS CG C 13 24.822 0.300 . 1 . . . . 92 LYS CG . 10162 1 954 . 1 1 92 92 LYS HG3 H 1 0.380 0.030 . 2 . . . . 92 LYS HG3 . 10162 1 955 . 1 1 92 92 LYS CD C 13 29.475 0.300 . 1 . . . . 92 LYS CD . 10162 1 956 . 1 1 92 92 LYS HD3 H 1 1.052 0.030 . 2 . . . . 92 LYS HD3 . 10162 1 957 . 1 1 92 92 LYS CE C 13 41.587 0.300 . 1 . . . . 92 LYS CE . 10162 1 958 . 1 1 92 92 LYS HE3 H 1 2.202 0.030 . 2 . . . . 92 LYS HE3 . 10162 1 959 . 1 1 92 92 LYS C C 13 175.189 0.300 . 1 . . . . 92 LYS C . 10162 1 960 . 1 1 92 92 LYS HB2 H 1 1.393 0.030 . 2 . . . . 92 LYS HB2 . 10162 1 961 . 1 1 92 92 LYS HD2 H 1 1.172 0.030 . 2 . . . . 92 LYS HD2 . 10162 1 962 . 1 1 92 92 LYS HE2 H 1 1.926 0.030 . 2 . . . . 92 LYS HE2 . 10162 1 963 . 1 1 92 92 LYS HG2 H 1 0.715 0.030 . 2 . . . . 92 LYS HG2 . 10162 1 964 . 1 1 93 93 TYR N N 15 120.251 0.300 . 1 . . . . 93 TYR N . 10162 1 965 . 1 1 93 93 TYR H H 1 8.061 0.030 . 1 . . . . 93 TYR H . 10162 1 966 . 1 1 93 93 TYR CA C 13 56.884 0.300 . 1 . . . . 93 TYR CA . 10162 1 967 . 1 1 93 93 TYR HA H 1 5.522 0.030 . 1 . . . . 93 TYR HA . 10162 1 968 . 1 1 93 93 TYR CB C 13 44.120 0.300 . 1 . . . . 93 TYR CB . 10162 1 969 . 1 1 93 93 TYR HB3 H 1 2.581 0.030 . 1 . . . . 93 TYR HB3 . 10162 1 970 . 1 1 93 93 TYR CD1 C 13 132.201 0.300 . 1 . . . . 93 TYR CD1 . 10162 1 971 . 1 1 93 93 TYR HD1 H 1 6.674 0.030 . 1 . . . . 93 TYR HD1 . 10162 1 972 . 1 1 93 93 TYR CD2 C 13 132.201 0.300 . 1 . . . . 93 TYR CD2 . 10162 1 973 . 1 1 93 93 TYR HD2 H 1 6.674 0.030 . 1 . . . . 93 TYR HD2 . 10162 1 974 . 1 1 93 93 TYR CE1 C 13 117.575 0.300 . 1 . . . . 93 TYR CE1 . 10162 1 975 . 1 1 93 93 TYR HE1 H 1 6.531 0.030 . 1 . . . . 93 TYR HE1 . 10162 1 976 . 1 1 93 93 TYR CE2 C 13 117.575 0.300 . 1 . . . . 93 TYR CE2 . 10162 1 977 . 1 1 93 93 TYR HE2 H 1 6.531 0.030 . 1 . . . . 93 TYR HE2 . 10162 1 978 . 1 1 93 93 TYR C C 13 175.517 0.300 . 1 . . . . 93 TYR C . 10162 1 979 . 1 1 93 93 TYR HB2 H 1 2.581 0.030 . 1 . . . . 93 TYR HB2 . 10162 1 980 . 1 1 94 94 GLY N N 15 114.148 0.300 . 1 . . . . 94 GLY N . 10162 1 981 . 1 1 94 94 GLY H H 1 8.274 0.030 . 1 . . . . 94 GLY H . 10162 1 982 . 1 1 94 94 GLY CA C 13 45.959 0.300 . 1 . . . . 94 GLY CA . 10162 1 983 . 1 1 94 94 GLY HA3 H 1 3.705 0.030 . 2 . . . . 94 GLY HA3 . 10162 1 984 . 1 1 94 94 GLY C C 13 173.595 0.300 . 1 . . . . 94 GLY C . 10162 1 985 . 1 1 94 94 GLY HA2 H 1 3.877 0.030 . 2 . . . . 94 GLY HA2 . 10162 1 986 . 1 1 95 95 GLY N N 15 107.010 0.300 . 1 . . . . 95 GLY N . 10162 1 987 . 1 1 95 95 GLY H H 1 7.452 0.030 . 1 . . . . 95 GLY H . 10162 1 988 . 1 1 95 95 GLY CA C 13 43.954 0.300 . 1 . . . . 95 GLY CA . 10162 1 989 . 1 1 95 95 GLY HA3 H 1 3.618 0.030 . 2 . . . . 95 GLY HA3 . 10162 1 990 . 1 1 95 95 GLY C C 13 172.825 0.300 . 1 . . . . 95 GLY C . 10162 1 991 . 1 1 95 95 GLY HA2 H 1 4.507 0.030 . 2 . . . . 95 GLY HA2 . 10162 1 992 . 1 1 96 96 PRO CA C 13 63.221 0.300 . 1 . . . . 96 PRO CA . 10162 1 993 . 1 1 96 96 PRO HA H 1 4.413 0.030 . 1 . . . . 96 PRO HA . 10162 1 994 . 1 1 96 96 PRO CB C 13 30.955 0.300 . 1 . . . . 96 PRO CB . 10162 1 995 . 1 1 96 96 PRO HB3 H 1 1.952 0.030 . 2 . . . . 96 PRO HB3 . 10162 1 996 . 1 1 96 96 PRO CG C 13 26.156 0.300 . 1 . . . . 96 PRO CG . 10162 1 997 . 1 1 96 96 PRO HG3 H 1 1.987 0.030 . 2 . . . . 96 PRO HG3 . 10162 1 998 . 1 1 96 96 PRO CD C 13 49.317 0.300 . 1 . . . . 96 PRO CD . 10162 1 999 . 1 1 96 96 PRO HD3 H 1 3.608 0.030 . 2 . . . . 96 PRO HD3 . 10162 1 1000 . 1 1 96 96 PRO C C 13 175.901 0.300 . 1 . . . . 96 PRO C . 10162 1 1001 . 1 1 96 96 PRO HB2 H 1 2.161 0.030 . 2 . . . . 96 PRO HB2 . 10162 1 1002 . 1 1 96 96 PRO HD2 H 1 3.465 0.030 . 2 . . . . 96 PRO HD2 . 10162 1 1003 . 1 1 96 96 PRO HG2 H 1 1.756 0.030 . 2 . . . . 96 PRO HG2 . 10162 1 1004 . 1 1 97 97 ASN N N 15 119.942 0.300 . 1 . . . . 97 ASN N . 10162 1 1005 . 1 1 97 97 ASN H H 1 8.172 0.030 . 1 . . . . 97 ASN H . 10162 1 1006 . 1 1 97 97 ASN CA C 13 52.914 0.300 . 1 . . . . 97 ASN CA . 10162 1 1007 . 1 1 97 97 ASN HA H 1 4.864 0.030 . 1 . . . . 97 ASN HA . 10162 1 1008 . 1 1 97 97 ASN CB C 13 39.806 0.300 . 1 . . . . 97 ASN CB . 10162 1 1009 . 1 1 97 97 ASN HB3 H 1 2.722 0.030 . 2 . . . . 97 ASN HB3 . 10162 1 1010 . 1 1 97 97 ASN ND2 N 15 114.146 0.300 . 1 . . . . 97 ASN ND2 . 10162 1 1011 . 1 1 97 97 ASN HD21 H 1 7.065 0.030 . 2 . . . . 97 ASN HD21 . 10162 1 1012 . 1 1 97 97 ASN HD22 H 1 7.397 0.030 . 2 . . . . 97 ASN HD22 . 10162 1 1013 . 1 1 97 97 ASN C C 13 174.285 0.300 . 1 . . . . 97 ASN C . 10162 1 1014 . 1 1 97 97 ASN HB2 H 1 2.989 0.030 . 2 . . . . 97 ASN HB2 . 10162 1 1015 . 1 1 98 98 HIS N N 15 121.803 0.300 . 1 . . . . 98 HIS N . 10162 1 1016 . 1 1 98 98 HIS H H 1 8.456 0.030 . 1 . . . . 98 HIS H . 10162 1 1017 . 1 1 98 98 HIS CA C 13 58.023 0.300 . 1 . . . . 98 HIS CA . 10162 1 1018 . 1 1 98 98 HIS HA H 1 4.475 0.030 . 1 . . . . 98 HIS HA . 10162 1 1019 . 1 1 98 98 HIS CB C 13 33.382 0.300 . 1 . . . . 98 HIS CB . 10162 1 1020 . 1 1 98 98 HIS HB3 H 1 2.889 0.030 . 2 . . . . 98 HIS HB3 . 10162 1 1021 . 1 1 98 98 HIS CD2 C 13 118.139 0.300 . 1 . . . . 98 HIS CD2 . 10162 1 1022 . 1 1 98 98 HIS HD2 H 1 7.221 0.030 . 1 . . . . 98 HIS HD2 . 10162 1 1023 . 1 1 98 98 HIS CE1 C 13 136.583 0.300 . 1 . . . . 98 HIS CE1 . 10162 1 1024 . 1 1 98 98 HIS HE1 H 1 7.564 0.030 . 1 . . . . 98 HIS HE1 . 10162 1 1025 . 1 1 98 98 HIS C C 13 177.938 0.300 . 1 . . . . 98 HIS C . 10162 1 1026 . 1 1 98 98 HIS HB2 H 1 3.267 0.030 . 2 . . . . 98 HIS HB2 . 10162 1 1027 . 1 1 99 99 ILE N N 15 115.599 0.300 . 1 . . . . 99 ILE N . 10162 1 1028 . 1 1 99 99 ILE H H 1 8.237 0.030 . 1 . . . . 99 ILE H . 10162 1 1029 . 1 1 99 99 ILE CA C 13 60.895 0.300 . 1 . . . . 99 ILE CA . 10162 1 1030 . 1 1 99 99 ILE HA H 1 4.545 0.030 . 1 . . . . 99 ILE HA . 10162 1 1031 . 1 1 99 99 ILE CB C 13 38.675 0.300 . 1 . . . . 99 ILE CB . 10162 1 1032 . 1 1 99 99 ILE HB H 1 2.301 0.030 . 1 . . . . 99 ILE HB . 10162 1 1033 . 1 1 99 99 ILE CG1 C 13 25.218 0.300 . 1 . . . . 99 ILE CG1 . 10162 1 1034 . 1 1 99 99 ILE HG13 H 1 1.433 0.030 . 1 . . . . 99 ILE HG13 . 10162 1 1035 . 1 1 99 99 ILE CG2 C 13 17.733 0.300 . 1 . . . . 99 ILE CG2 . 10162 1 1036 . 1 1 99 99 ILE HG21 H 1 0.951 0.030 . 1 . . . . 99 ILE HG2 . 10162 1 1037 . 1 1 99 99 ILE HG22 H 1 0.951 0.030 . 1 . . . . 99 ILE HG2 . 10162 1 1038 . 1 1 99 99 ILE HG23 H 1 0.951 0.030 . 1 . . . . 99 ILE HG2 . 10162 1 1039 . 1 1 99 99 ILE CD1 C 13 15.833 0.300 . 1 . . . . 99 ILE CD1 . 10162 1 1040 . 1 1 99 99 ILE HD11 H 1 0.935 0.030 . 1 . . . . 99 ILE HD1 . 10162 1 1041 . 1 1 99 99 ILE HD12 H 1 0.935 0.030 . 1 . . . . 99 ILE HD1 . 10162 1 1042 . 1 1 99 99 ILE HD13 H 1 0.935 0.030 . 1 . . . . 99 ILE HD1 . 10162 1 1043 . 1 1 99 99 ILE C C 13 176.165 0.300 . 1 . . . . 99 ILE C . 10162 1 1044 . 1 1 99 99 ILE HG12 H 1 1.433 0.030 . 1 . . . . 99 ILE HG12 . 10162 1 1045 . 1 1 100 100 VAL H H 1 8.389 0.030 . 1 . . . . 100 VAL H . 10162 1 1046 . 1 1 100 100 VAL CA C 13 65.835 0.300 . 1 . . . . 100 VAL CA . 10162 1 1047 . 1 1 100 100 VAL HA H 1 3.673 0.030 . 1 . . . . 100 VAL HA . 10162 1 1048 . 1 1 100 100 VAL CB C 13 31.169 0.300 . 1 . . . . 100 VAL CB . 10162 1 1049 . 1 1 100 100 VAL HB H 1 2.142 0.030 . 1 . . . . 100 VAL HB . 10162 1 1050 . 1 1 100 100 VAL CG1 C 13 20.960 0.300 . 2 . . . . 100 VAL CG1 . 10162 1 1051 . 1 1 100 100 VAL HG11 H 1 1.011 0.030 . 1 . . . . 100 VAL HG1 . 10162 1 1052 . 1 1 100 100 VAL HG12 H 1 1.011 0.030 . 1 . . . . 100 VAL HG1 . 10162 1 1053 . 1 1 100 100 VAL HG13 H 1 1.011 0.030 . 1 . . . . 100 VAL HG1 . 10162 1 1054 . 1 1 100 100 VAL CG2 C 13 22.455 0.300 . 2 . . . . 100 VAL CG2 . 10162 1 1055 . 1 1 100 100 VAL HG21 H 1 1.178 0.030 . 1 . . . . 100 VAL HG2 . 10162 1 1056 . 1 1 100 100 VAL HG22 H 1 1.178 0.030 . 1 . . . . 100 VAL HG2 . 10162 1 1057 . 1 1 100 100 VAL HG23 H 1 1.178 0.030 . 1 . . . . 100 VAL HG2 . 10162 1 1058 . 1 1 101 101 GLY N N 15 116.014 0.300 . 1 . . . . 101 GLY N . 10162 1 1059 . 1 1 101 101 GLY H H 1 8.297 0.030 . 1 . . . . 101 GLY H . 10162 1 1060 . 1 1 101 101 GLY CA C 13 44.626 0.300 . 1 . . . . 101 GLY CA . 10162 1 1061 . 1 1 101 101 GLY HA3 H 1 3.227 0.030 . 2 . . . . 101 GLY HA3 . 10162 1 1062 . 1 1 101 101 GLY C C 13 171.863 0.300 . 1 . . . . 101 GLY C . 10162 1 1063 . 1 1 101 101 GLY HA2 H 1 4.207 0.030 . 2 . . . . 101 GLY HA2 . 10162 1 1064 . 1 1 102 102 SER N N 15 111.977 0.300 . 1 . . . . 102 SER N . 10162 1 1065 . 1 1 102 102 SER H H 1 7.304 0.030 . 1 . . . . 102 SER H . 10162 1 1066 . 1 1 102 102 SER CA C 13 54.570 0.300 . 1 . . . . 102 SER CA . 10162 1 1067 . 1 1 102 102 SER HA H 1 3.915 0.030 . 1 . . . . 102 SER HA . 10162 1 1068 . 1 1 102 102 SER CB C 13 62.569 0.300 . 1 . . . . 102 SER CB . 10162 1 1069 . 1 1 102 102 SER HB3 H 1 4.405 0.030 . 2 . . . . 102 SER HB3 . 10162 1 1070 . 1 1 102 102 SER HB2 H 1 3.660 0.030 . 2 . . . . 102 SER HB2 . 10162 1 1071 . 1 1 103 103 PRO CA C 13 62.215 0.300 . 1 . . . . 103 PRO CA . 10162 1 1072 . 1 1 103 103 PRO HA H 1 5.475 0.030 . 1 . . . . 103 PRO HA . 10162 1 1073 . 1 1 103 103 PRO CB C 13 33.552 0.300 . 1 . . . . 103 PRO CB . 10162 1 1074 . 1 1 103 103 PRO HB3 H 1 2.226 0.030 . 2 . . . . 103 PRO HB3 . 10162 1 1075 . 1 1 103 103 PRO CG C 13 24.439 0.300 . 1 . . . . 103 PRO CG . 10162 1 1076 . 1 1 103 103 PRO HG3 H 1 1.795 0.030 . 1 . . . . 103 PRO HG3 . 10162 1 1077 . 1 1 103 103 PRO CD C 13 49.770 0.300 . 1 . . . . 103 PRO CD . 10162 1 1078 . 1 1 103 103 PRO HD3 H 1 2.267 0.030 . 2 . . . . 103 PRO HD3 . 10162 1 1079 . 1 1 103 103 PRO C C 13 175.646 0.300 . 1 . . . . 103 PRO C . 10162 1 1080 . 1 1 103 103 PRO HB2 H 1 1.665 0.030 . 2 . . . . 103 PRO HB2 . 10162 1 1081 . 1 1 103 103 PRO HD2 H 1 3.220 0.030 . 2 . . . . 103 PRO HD2 . 10162 1 1082 . 1 1 103 103 PRO HG2 H 1 1.795 0.030 . 1 . . . . 103 PRO HG2 . 10162 1 1083 . 1 1 104 104 PHE N N 15 123.291 0.300 . 1 . . . . 104 PHE N . 10162 1 1084 . 1 1 104 104 PHE H H 1 9.465 0.030 . 1 . . . . 104 PHE H . 10162 1 1085 . 1 1 104 104 PHE CA C 13 57.015 0.300 . 1 . . . . 104 PHE CA . 10162 1 1086 . 1 1 104 104 PHE HA H 1 4.531 0.030 . 1 . . . . 104 PHE HA . 10162 1 1087 . 1 1 104 104 PHE CB C 13 40.607 0.300 . 1 . . . . 104 PHE CB . 10162 1 1088 . 1 1 104 104 PHE HB3 H 1 2.801 0.030 . 2 . . . . 104 PHE HB3 . 10162 1 1089 . 1 1 104 104 PHE CD1 C 13 133.054 0.300 . 1 . . . . 104 PHE CD1 . 10162 1 1090 . 1 1 104 104 PHE HD1 H 1 7.237 0.030 . 1 . . . . 104 PHE HD1 . 10162 1 1091 . 1 1 104 104 PHE CD2 C 13 133.054 0.300 . 1 . . . . 104 PHE CD2 . 10162 1 1092 . 1 1 104 104 PHE HD2 H 1 7.237 0.030 . 1 . . . . 104 PHE HD2 . 10162 1 1093 . 1 1 104 104 PHE CE1 C 13 130.278 0.300 . 1 . . . . 104 PHE CE1 . 10162 1 1094 . 1 1 104 104 PHE HE1 H 1 7.124 0.030 . 1 . . . . 104 PHE HE1 . 10162 1 1095 . 1 1 104 104 PHE CE2 C 13 130.278 0.300 . 1 . . . . 104 PHE CE2 . 10162 1 1096 . 1 1 104 104 PHE HE2 H 1 7.124 0.030 . 1 . . . . 104 PHE HE2 . 10162 1 1097 . 1 1 104 104 PHE CZ C 13 129.314 0.300 . 1 . . . . 104 PHE CZ . 10162 1 1098 . 1 1 104 104 PHE HZ H 1 7.293 0.030 . 1 . . . . 104 PHE HZ . 10162 1 1099 . 1 1 104 104 PHE C C 13 175.305 0.300 . 1 . . . . 104 PHE C . 10162 1 1100 . 1 1 104 104 PHE HB2 H 1 3.245 0.030 . 2 . . . . 104 PHE HB2 . 10162 1 1101 . 1 1 105 105 LYS N N 15 123.989 0.300 . 1 . . . . 105 LYS N . 10162 1 1102 . 1 1 105 105 LYS H H 1 8.712 0.030 . 1 . . . . 105 LYS H . 10162 1 1103 . 1 1 105 105 LYS CA C 13 55.868 0.300 . 1 . . . . 105 LYS CA . 10162 1 1104 . 1 1 105 105 LYS HA H 1 4.913 0.030 . 1 . . . . 105 LYS HA . 10162 1 1105 . 1 1 105 105 LYS CB C 13 32.762 0.300 . 1 . . . . 105 LYS CB . 10162 1 1106 . 1 1 105 105 LYS HB3 H 1 1.824 0.030 . 2 . . . . 105 LYS HB3 . 10162 1 1107 . 1 1 105 105 LYS CG C 13 25.006 0.300 . 1 . . . . 105 LYS CG . 10162 1 1108 . 1 1 105 105 LYS HG3 H 1 1.327 0.030 . 2 . . . . 105 LYS HG3 . 10162 1 1109 . 1 1 105 105 LYS CD C 13 29.442 0.300 . 1 . . . . 105 LYS CD . 10162 1 1110 . 1 1 105 105 LYS HD3 H 1 1.640 0.030 . 1 . . . . 105 LYS HD3 . 10162 1 1111 . 1 1 105 105 LYS CE C 13 41.839 0.300 . 1 . . . . 105 LYS CE . 10162 1 1112 . 1 1 105 105 LYS HE3 H 1 2.897 0.030 . 1 . . . . 105 LYS HE3 . 10162 1 1113 . 1 1 105 105 LYS C C 13 174.065 0.300 . 1 . . . . 105 LYS C . 10162 1 1114 . 1 1 105 105 LYS HB2 H 1 1.708 0.030 . 2 . . . . 105 LYS HB2 . 10162 1 1115 . 1 1 105 105 LYS HD2 H 1 1.640 0.030 . 1 . . . . 105 LYS HD2 . 10162 1 1116 . 1 1 105 105 LYS HE2 H 1 2.897 0.030 . 1 . . . . 105 LYS HE2 . 10162 1 1117 . 1 1 105 105 LYS HG2 H 1 1.227 0.030 . 2 . . . . 105 LYS HG2 . 10162 1 1118 . 1 1 106 106 ALA N N 15 129.654 0.300 . 1 . . . . 106 ALA N . 10162 1 1119 . 1 1 106 106 ALA H H 1 8.964 0.030 . 1 . . . . 106 ALA H . 10162 1 1120 . 1 1 106 106 ALA CA C 13 50.325 0.300 . 1 . . . . 106 ALA CA . 10162 1 1121 . 1 1 106 106 ALA HA H 1 4.497 0.030 . 1 . . . . 106 ALA HA . 10162 1 1122 . 1 1 106 106 ALA CB C 13 20.496 0.300 . 1 . . . . 106 ALA CB . 10162 1 1123 . 1 1 106 106 ALA HB1 H 1 1.064 0.030 . 1 . . . . 106 ALA HB . 10162 1 1124 . 1 1 106 106 ALA HB2 H 1 1.064 0.030 . 1 . . . . 106 ALA HB . 10162 1 1125 . 1 1 106 106 ALA HB3 H 1 1.064 0.030 . 1 . . . . 106 ALA HB . 10162 1 1126 . 1 1 106 106 ALA C C 13 176.111 0.300 . 1 . . . . 106 ALA C . 10162 1 1127 . 1 1 107 107 LYS N N 15 124.155 0.300 . 1 . . . . 107 LYS N . 10162 1 1128 . 1 1 107 107 LYS H H 1 7.955 0.030 . 1 . . . . 107 LYS H . 10162 1 1129 . 1 1 107 107 LYS CA C 13 55.904 0.300 . 1 . . . . 107 LYS CA . 10162 1 1130 . 1 1 107 107 LYS HA H 1 4.950 0.030 . 1 . . . . 107 LYS HA . 10162 1 1131 . 1 1 107 107 LYS CB C 13 33.755 0.300 . 1 . . . . 107 LYS CB . 10162 1 1132 . 1 1 107 107 LYS HB3 H 1 1.943 0.030 . 2 . . . . 107 LYS HB3 . 10162 1 1133 . 1 1 107 107 LYS CG C 13 24.954 0.300 . 1 . . . . 107 LYS CG . 10162 1 1134 . 1 1 107 107 LYS HG3 H 1 1.484 0.030 . 2 . . . . 107 LYS HG3 . 10162 1 1135 . 1 1 107 107 LYS CD C 13 29.344 0.300 . 1 . . . . 107 LYS CD . 10162 1 1136 . 1 1 107 107 LYS HD3 H 1 1.766 0.030 . 1 . . . . 107 LYS HD3 . 10162 1 1137 . 1 1 107 107 LYS CE C 13 42.101 0.300 . 1 . . . . 107 LYS CE . 10162 1 1138 . 1 1 107 107 LYS HE3 H 1 3.017 0.030 . 1 . . . . 107 LYS HE3 . 10162 1 1139 . 1 1 107 107 LYS C C 13 175.350 0.300 . 1 . . . . 107 LYS C . 10162 1 1140 . 1 1 107 107 LYS HB2 H 1 1.875 0.030 . 2 . . . . 107 LYS HB2 . 10162 1 1141 . 1 1 107 107 LYS HD2 H 1 1.766 0.030 . 1 . . . . 107 LYS HD2 . 10162 1 1142 . 1 1 107 107 LYS HE2 H 1 3.017 0.030 . 1 . . . . 107 LYS HE2 . 10162 1 1143 . 1 1 107 107 LYS HG2 H 1 1.329 0.030 . 2 . . . . 107 LYS HG2 . 10162 1 1144 . 1 1 108 108 VAL N N 15 128.726 0.300 . 1 . . . . 108 VAL N . 10162 1 1145 . 1 1 108 108 VAL H H 1 9.373 0.030 . 1 . . . . 108 VAL H . 10162 1 1146 . 1 1 108 108 VAL CA C 13 60.804 0.300 . 1 . . . . 108 VAL CA . 10162 1 1147 . 1 1 108 108 VAL HA H 1 4.851 0.030 . 1 . . . . 108 VAL HA . 10162 1 1148 . 1 1 108 108 VAL CB C 13 33.175 0.300 . 1 . . . . 108 VAL CB . 10162 1 1149 . 1 1 108 108 VAL HB H 1 2.349 0.030 . 1 . . . . 108 VAL HB . 10162 1 1150 . 1 1 108 108 VAL CG1 C 13 22.406 0.300 . 2 . . . . 108 VAL CG1 . 10162 1 1151 . 1 1 108 108 VAL HG11 H 1 0.763 0.030 . 1 . . . . 108 VAL HG1 . 10162 1 1152 . 1 1 108 108 VAL HG12 H 1 0.763 0.030 . 1 . . . . 108 VAL HG1 . 10162 1 1153 . 1 1 108 108 VAL HG13 H 1 0.763 0.030 . 1 . . . . 108 VAL HG1 . 10162 1 1154 . 1 1 108 108 VAL CG2 C 13 22.062 0.300 . 2 . . . . 108 VAL CG2 . 10162 1 1155 . 1 1 108 108 VAL HG21 H 1 0.626 0.030 . 1 . . . . 108 VAL HG2 . 10162 1 1156 . 1 1 108 108 VAL HG22 H 1 0.626 0.030 . 1 . . . . 108 VAL HG2 . 10162 1 1157 . 1 1 108 108 VAL HG23 H 1 0.626 0.030 . 1 . . . . 108 VAL HG2 . 10162 1 1158 . 1 1 108 108 VAL C C 13 177.017 0.300 . 1 . . . . 108 VAL C . 10162 1 1159 . 1 1 109 109 THR N N 15 121.067 0.300 . 1 . . . . 109 THR N . 10162 1 1160 . 1 1 109 109 THR H H 1 8.527 0.030 . 1 . . . . 109 THR H . 10162 1 1161 . 1 1 109 109 THR CA C 13 60.138 0.300 . 1 . . . . 109 THR CA . 10162 1 1162 . 1 1 109 109 THR HA H 1 4.864 0.030 . 1 . . . . 109 THR HA . 10162 1 1163 . 1 1 109 109 THR CB C 13 70.960 0.300 . 1 . . . . 109 THR CB . 10162 1 1164 . 1 1 109 109 THR HB H 1 4.463 0.030 . 1 . . . . 109 THR HB . 10162 1 1165 . 1 1 109 109 THR CG2 C 13 21.428 0.300 . 1 . . . . 109 THR CG2 . 10162 1 1166 . 1 1 109 109 THR HG21 H 1 1.266 0.030 . 1 . . . . 109 THR HG2 . 10162 1 1167 . 1 1 109 109 THR HG22 H 1 1.266 0.030 . 1 . . . . 109 THR HG2 . 10162 1 1168 . 1 1 109 109 THR HG23 H 1 1.266 0.030 . 1 . . . . 109 THR HG2 . 10162 1 1169 . 1 1 109 109 THR C C 13 173.130 0.300 . 1 . . . . 109 THR C . 10162 1 1170 . 1 1 110 110 GLY N N 15 106.893 0.300 . 1 . . . . 110 GLY N . 10162 1 1171 . 1 1 110 110 GLY H H 1 8.404 0.030 . 1 . . . . 110 GLY H . 10162 1 1172 . 1 1 110 110 GLY CA C 13 43.888 0.300 . 1 . . . . 110 GLY CA . 10162 1 1173 . 1 1 110 110 GLY HA3 H 1 3.851 0.030 . 2 . . . . 110 GLY HA3 . 10162 1 1174 . 1 1 110 110 GLY C C 13 173.870 0.300 . 1 . . . . 110 GLY C . 10162 1 1175 . 1 1 110 110 GLY HA2 H 1 4.773 0.030 . 2 . . . . 110 GLY HA2 . 10162 1 1176 . 1 1 111 111 GLN N N 15 116.999 0.300 . 1 . . . . 111 GLN N . 10162 1 1177 . 1 1 111 111 GLN H H 1 8.234 0.030 . 1 . . . . 111 GLN H . 10162 1 1178 . 1 1 111 111 GLN CA C 13 55.230 0.300 . 1 . . . . 111 GLN CA . 10162 1 1179 . 1 1 111 111 GLN HA H 1 4.269 0.030 . 1 . . . . 111 GLN HA . 10162 1 1180 . 1 1 111 111 GLN CB C 13 30.118 0.300 . 1 . . . . 111 GLN CB . 10162 1 1181 . 1 1 111 111 GLN HB3 H 1 1.993 0.030 . 2 . . . . 111 GLN HB3 . 10162 1 1182 . 1 1 111 111 GLN CG C 13 33.804 0.300 . 1 . . . . 111 GLN CG . 10162 1 1183 . 1 1 111 111 GLN HG3 H 1 2.361 0.030 . 1 . . . . 111 GLN HG3 . 10162 1 1184 . 1 1 111 111 GLN NE2 N 15 112.544 0.300 . 1 . . . . 111 GLN NE2 . 10162 1 1185 . 1 1 111 111 GLN HE21 H 1 7.580 0.030 . 2 . . . . 111 GLN HE21 . 10162 1 1186 . 1 1 111 111 GLN HE22 H 1 6.903 0.030 . 2 . . . . 111 GLN HE22 . 10162 1 1187 . 1 1 111 111 GLN C C 13 176.550 0.300 . 1 . . . . 111 GLN C . 10162 1 1188 . 1 1 111 111 GLN HB2 H 1 1.888 0.030 . 2 . . . . 111 GLN HB2 . 10162 1 1189 . 1 1 111 111 GLN HG2 H 1 2.361 0.030 . 1 . . . . 111 GLN HG2 . 10162 1 1190 . 1 1 112 112 ARG N N 15 122.131 0.300 . 1 . . . . 112 ARG N . 10162 1 1191 . 1 1 112 112 ARG H H 1 8.832 0.030 . 1 . . . . 112 ARG H . 10162 1 1192 . 1 1 112 112 ARG CA C 13 57.384 0.300 . 1 . . . . 112 ARG CA . 10162 1 1193 . 1 1 112 112 ARG HA H 1 4.300 0.030 . 1 . . . . 112 ARG HA . 10162 1 1194 . 1 1 112 112 ARG CB C 13 30.059 0.300 . 1 . . . . 112 ARG CB . 10162 1 1195 . 1 1 112 112 ARG HB3 H 1 1.936 0.030 . 2 . . . . 112 ARG HB3 . 10162 1 1196 . 1 1 112 112 ARG CG C 13 28.367 0.300 . 1 . . . . 112 ARG CG . 10162 1 1197 . 1 1 112 112 ARG HG3 H 1 1.671 0.030 . 1 . . . . 112 ARG HG3 . 10162 1 1198 . 1 1 112 112 ARG CD C 13 43.479 0.300 . 1 . . . . 112 ARG CD . 10162 1 1199 . 1 1 112 112 ARG HD3 H 1 3.290 0.030 . 1 . . . . 112 ARG HD3 . 10162 1 1200 . 1 1 112 112 ARG C C 13 175.836 0.300 . 1 . . . . 112 ARG C . 10162 1 1201 . 1 1 112 112 ARG HB2 H 1 1.806 0.030 . 2 . . . . 112 ARG HB2 . 10162 1 1202 . 1 1 112 112 ARG HD2 H 1 3.290 0.030 . 1 . . . . 112 ARG HD2 . 10162 1 1203 . 1 1 112 112 ARG HG2 H 1 1.671 0.030 . 1 . . . . 112 ARG HG2 . 10162 1 1204 . 1 1 113 113 LEU N N 15 126.764 0.300 . 1 . . . . 113 LEU N . 10162 1 1205 . 1 1 113 113 LEU H H 1 8.424 0.030 . 1 . . . . 113 LEU H . 10162 1 1206 . 1 1 113 113 LEU CA C 13 54.919 0.300 . 1 . . . . 113 LEU CA . 10162 1 1207 . 1 1 113 113 LEU HA H 1 4.517 0.030 . 1 . . . . 113 LEU HA . 10162 1 1208 . 1 1 113 113 LEU CB C 13 42.706 0.300 . 1 . . . . 113 LEU CB . 10162 1 1209 . 1 1 113 113 LEU HB3 H 1 1.791 0.030 . 2 . . . . 113 LEU HB3 . 10162 1 1210 . 1 1 113 113 LEU CG C 13 26.805 0.300 . 1 . . . . 113 LEU CG . 10162 1 1211 . 1 1 113 113 LEU HG H 1 1.639 0.030 . 1 . . . . 113 LEU HG . 10162 1 1212 . 1 1 113 113 LEU CD1 C 13 25.108 0.300 . 2 . . . . 113 LEU CD1 . 10162 1 1213 . 1 1 113 113 LEU HD11 H 1 0.891 0.030 . 1 . . . . 113 LEU HD1 . 10162 1 1214 . 1 1 113 113 LEU HD12 H 1 0.891 0.030 . 1 . . . . 113 LEU HD1 . 10162 1 1215 . 1 1 113 113 LEU HD13 H 1 0.891 0.030 . 1 . . . . 113 LEU HD1 . 10162 1 1216 . 1 1 113 113 LEU CD2 C 13 22.410 0.300 . 2 . . . . 113 LEU CD2 . 10162 1 1217 . 1 1 113 113 LEU HD21 H 1 0.766 0.030 . 1 . . . . 113 LEU HD2 . 10162 1 1218 . 1 1 113 113 LEU HD22 H 1 0.766 0.030 . 1 . . . . 113 LEU HD2 . 10162 1 1219 . 1 1 113 113 LEU HD23 H 1 0.766 0.030 . 1 . . . . 113 LEU HD2 . 10162 1 1220 . 1 1 113 113 LEU C C 13 176.521 0.300 . 1 . . . . 113 LEU C . 10162 1 1221 . 1 1 113 113 LEU HB2 H 1 1.638 0.030 . 2 . . . . 113 LEU HB2 . 10162 1 1222 . 1 1 116 116 PRO CA C 13 63.729 0.300 . 1 . . . . 116 PRO CA . 10162 1 1223 . 1 1 116 116 PRO HA H 1 4.436 0.030 . 1 . . . . 116 PRO HA . 10162 1 1224 . 1 1 116 116 PRO CB C 13 32.182 0.300 . 1 . . . . 116 PRO CB . 10162 1 1225 . 1 1 116 116 PRO HB3 H 1 1.984 0.030 . 2 . . . . 116 PRO HB3 . 10162 1 1226 . 1 1 116 116 PRO CG C 13 27.578 0.300 . 1 . . . . 116 PRO CG . 10162 1 1227 . 1 1 116 116 PRO HG3 H 1 2.090 0.030 . 1 . . . . 116 PRO HG3 . 10162 1 1228 . 1 1 116 116 PRO CD C 13 50.842 0.300 . 1 . . . . 116 PRO CD . 10162 1 1229 . 1 1 116 116 PRO HD3 H 1 3.763 0.030 . 2 . . . . 116 PRO HD3 . 10162 1 1230 . 1 1 116 116 PRO HB2 H 1 2.304 0.030 . 2 . . . . 116 PRO HB2 . 10162 1 1231 . 1 1 116 116 PRO HD2 H 1 3.862 0.030 . 2 . . . . 116 PRO HD2 . 10162 1 1232 . 1 1 116 116 PRO HG2 H 1 2.090 0.030 . 1 . . . . 116 PRO HG2 . 10162 1 1233 . 1 1 117 117 GLY N N 15 110.092 0.300 . 1 . . . . 117 GLY N . 10162 1 1234 . 1 1 117 117 GLY H H 1 8.493 0.030 . 1 . . . . 117 GLY H . 10162 1 1235 . 1 1 118 118 SER CA C 13 58.420 0.300 . 1 . . . . 118 SER CA . 10162 1 1236 . 1 1 118 118 SER HA H 1 4.454 0.030 . 1 . . . . 118 SER HA . 10162 1 1237 . 1 1 118 118 SER CB C 13 64.014 0.300 . 1 . . . . 118 SER CB . 10162 1 1238 . 1 1 118 118 SER HB3 H 1 3.855 0.030 . 2 . . . . 118 SER HB3 . 10162 1 1239 . 1 1 118 118 SER C C 13 174.495 0.300 . 1 . . . . 118 SER C . 10162 1 1240 . 1 1 118 118 SER HB2 H 1 3.903 0.030 . 2 . . . . 118 SER HB2 . 10162 1 1241 . 1 1 119 119 ALA N N 15 125.244 0.300 . 1 . . . . 119 ALA N . 10162 1 1242 . 1 1 119 119 ALA H H 1 8.365 0.030 . 1 . . . . 119 ALA H . 10162 1 1243 . 1 1 119 119 ALA CA C 13 52.697 0.300 . 1 . . . . 119 ALA CA . 10162 1 1244 . 1 1 119 119 ALA HA H 1 4.333 0.030 . 1 . . . . 119 ALA HA . 10162 1 1245 . 1 1 119 119 ALA CB C 13 19.378 0.300 . 1 . . . . 119 ALA CB . 10162 1 1246 . 1 1 119 119 ALA HB1 H 1 1.390 0.030 . 1 . . . . 119 ALA HB . 10162 1 1247 . 1 1 119 119 ALA HB2 H 1 1.390 0.030 . 1 . . . . 119 ALA HB . 10162 1 1248 . 1 1 119 119 ALA HB3 H 1 1.390 0.030 . 1 . . . . 119 ALA HB . 10162 1 1249 . 1 1 119 119 ALA C C 13 177.362 0.300 . 1 . . . . 119 ALA C . 10162 1 1250 . 1 1 120 120 ASN N N 15 117.122 0.300 . 1 . . . . 120 ASN N . 10162 1 1251 . 1 1 120 120 ASN H H 1 8.311 0.030 . 1 . . . . 120 ASN H . 10162 1 1252 . 1 1 120 120 ASN CA C 13 53.198 0.300 . 1 . . . . 120 ASN CA . 10162 1 1253 . 1 1 120 120 ASN HA H 1 4.659 0.030 . 1 . . . . 120 ASN HA . 10162 1 1254 . 1 1 120 120 ASN CB C 13 38.852 0.300 . 1 . . . . 120 ASN CB . 10162 1 1255 . 1 1 120 120 ASN HB3 H 1 2.675 0.030 . 1 . . . . 120 ASN HB3 . 10162 1 1256 . 1 1 120 120 ASN ND2 N 15 113.049 0.300 . 1 . . . . 120 ASN ND2 . 10162 1 1257 . 1 1 120 120 ASN HD21 H 1 7.610 0.030 . 2 . . . . 120 ASN HD21 . 10162 1 1258 . 1 1 120 120 ASN HD22 H 1 6.920 0.030 . 2 . . . . 120 ASN HD22 . 10162 1 1259 . 1 1 120 120 ASN C C 13 175.112 0.300 . 1 . . . . 120 ASN C . 10162 1 1260 . 1 1 120 120 ASN HB2 H 1 2.675 0.030 . 1 . . . . 120 ASN HB2 . 10162 1 1261 . 1 1 122 122 THR CA C 13 61.947 0.300 . 1 . . . . 122 THR CA . 10162 1 1262 . 1 1 122 122 THR HA H 1 4.197 0.030 . 1 . . . . 122 THR HA . 10162 1 1263 . 1 1 122 122 THR CB C 13 69.949 0.300 . 1 . . . . 122 THR CB . 10162 1 1264 . 1 1 122 122 THR HB H 1 4.170 0.030 . 1 . . . . 122 THR HB . 10162 1 1265 . 1 1 122 122 THR CG2 C 13 21.586 0.300 . 1 . . . . 122 THR CG2 . 10162 1 1266 . 1 1 122 122 THR HG21 H 1 1.188 0.030 . 1 . . . . 122 THR HG2 . 10162 1 1267 . 1 1 122 122 THR HG22 H 1 1.188 0.030 . 1 . . . . 122 THR HG2 . 10162 1 1268 . 1 1 122 122 THR HG23 H 1 1.188 0.030 . 1 . . . . 122 THR HG2 . 10162 1 1269 . 1 1 125 125 ILE CA C 13 63.161 0.300 . 1 . . . . 125 ILE CA . 10162 1 1270 . 1 1 125 125 ILE HA H 1 4.111 0.030 . 1 . . . . 125 ILE HA . 10162 1 1271 . 1 1 125 125 ILE CB C 13 39.863 0.300 . 1 . . . . 125 ILE CB . 10162 1 1272 . 1 1 125 125 ILE HB H 1 1.843 0.030 . 1 . . . . 125 ILE HB . 10162 1 1273 . 1 1 125 125 ILE CG1 C 13 27.327 0.300 . 1 . . . . 125 ILE CG1 . 10162 1 1274 . 1 1 125 125 ILE HG13 H 1 1.431 0.030 . 2 . . . . 125 ILE HG13 . 10162 1 1275 . 1 1 125 125 ILE CG2 C 13 18.292 0.300 . 1 . . . . 125 ILE CG2 . 10162 1 1276 . 1 1 125 125 ILE HG21 H 1 0.873 0.030 . 1 . . . . 125 ILE HG2 . 10162 1 1277 . 1 1 125 125 ILE HG22 H 1 0.873 0.030 . 1 . . . . 125 ILE HG2 . 10162 1 1278 . 1 1 125 125 ILE HG23 H 1 0.873 0.030 . 1 . . . . 125 ILE HG2 . 10162 1 1279 . 1 1 125 125 ILE CD1 C 13 13.918 0.300 . 1 . . . . 125 ILE CD1 . 10162 1 1280 . 1 1 125 125 ILE HD11 H 1 0.829 0.030 . 1 . . . . 125 ILE HD1 . 10162 1 1281 . 1 1 125 125 ILE HD12 H 1 0.829 0.030 . 1 . . . . 125 ILE HD1 . 10162 1 1282 . 1 1 125 125 ILE HD13 H 1 0.829 0.030 . 1 . . . . 125 ILE HD1 . 10162 1 1283 . 1 1 125 125 ILE HG12 H 1 1.139 0.030 . 2 . . . . 125 ILE HG12 . 10162 1 stop_ save_