data_10143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10143 _Entry.Title ; Solution structure of the 14th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-04 _Entry.Accession_date 2007-12-05 _Entry.Last_release_date 2008-12-10 _Entry.Original_release_date 2008-12-10 _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 . . . 10143 2 S. Koshiba . . . 10143 3 S. Watanabe . . . 10143 4 T. Harada . . . 10143 5 T. Kigawa . . . 10143 6 S. Yokoyama . . . 10143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 477 10143 '15N chemical shifts' 106 10143 '1H chemical shifts' 741 10143 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 . . 2008-12-10 2007-12-04 original author . 10143 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E9J 'BMRB Entry Tracking System' 10143 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10143 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 14th filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . . . 10143 1 2 S. Koshiba . . . 10143 1 3 S. Watanabe . . . 10143 1 4 T. Harada . . . 10143 1 5 T. Kigawa . . . 10143 1 6 S. Yokoyama . . . 10143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10143 _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 . . . 10143 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 2E9J . . . . . . 10143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRSPFKVKVLPTYD ASKVTASGPGLSSYGVPASL PVDFAIDARDAGEGLLAVQI TDQEGKPKRAIVHDNKDGTY AVTYIPDKTGRYMIGVTYGG DDIPLSPYRIRATQTGDAS ; _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 119 _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 2E9J . "Solution Structure Of The 14th Filamin Domain From Human Filamin-B" . . . . . 100.00 119 100.00 100.00 6.98e-77 . . . . 10143 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain' . 10143 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 . 10143 1 2 . SER . 10143 1 3 . SER . 10143 1 4 . GLY . 10143 1 5 . SER . 10143 1 6 . SER . 10143 1 7 . GLY . 10143 1 8 . ARG . 10143 1 9 . SER . 10143 1 10 . PRO . 10143 1 11 . PHE . 10143 1 12 . LYS . 10143 1 13 . VAL . 10143 1 14 . LYS . 10143 1 15 . VAL . 10143 1 16 . LEU . 10143 1 17 . PRO . 10143 1 18 . THR . 10143 1 19 . TYR . 10143 1 20 . ASP . 10143 1 21 . ALA . 10143 1 22 . SER . 10143 1 23 . LYS . 10143 1 24 . VAL . 10143 1 25 . THR . 10143 1 26 . ALA . 10143 1 27 . SER . 10143 1 28 . GLY . 10143 1 29 . PRO . 10143 1 30 . GLY . 10143 1 31 . LEU . 10143 1 32 . SER . 10143 1 33 . SER . 10143 1 34 . TYR . 10143 1 35 . GLY . 10143 1 36 . VAL . 10143 1 37 . PRO . 10143 1 38 . ALA . 10143 1 39 . SER . 10143 1 40 . LEU . 10143 1 41 . PRO . 10143 1 42 . VAL . 10143 1 43 . ASP . 10143 1 44 . PHE . 10143 1 45 . ALA . 10143 1 46 . ILE . 10143 1 47 . ASP . 10143 1 48 . ALA . 10143 1 49 . ARG . 10143 1 50 . ASP . 10143 1 51 . ALA . 10143 1 52 . GLY . 10143 1 53 . GLU . 10143 1 54 . GLY . 10143 1 55 . LEU . 10143 1 56 . LEU . 10143 1 57 . ALA . 10143 1 58 . VAL . 10143 1 59 . GLN . 10143 1 60 . ILE . 10143 1 61 . THR . 10143 1 62 . ASP . 10143 1 63 . GLN . 10143 1 64 . GLU . 10143 1 65 . GLY . 10143 1 66 . LYS . 10143 1 67 . PRO . 10143 1 68 . LYS . 10143 1 69 . ARG . 10143 1 70 . ALA . 10143 1 71 . ILE . 10143 1 72 . VAL . 10143 1 73 . HIS . 10143 1 74 . ASP . 10143 1 75 . ASN . 10143 1 76 . LYS . 10143 1 77 . ASP . 10143 1 78 . GLY . 10143 1 79 . THR . 10143 1 80 . TYR . 10143 1 81 . ALA . 10143 1 82 . VAL . 10143 1 83 . THR . 10143 1 84 . TYR . 10143 1 85 . ILE . 10143 1 86 . PRO . 10143 1 87 . ASP . 10143 1 88 . LYS . 10143 1 89 . THR . 10143 1 90 . GLY . 10143 1 91 . ARG . 10143 1 92 . TYR . 10143 1 93 . MET . 10143 1 94 . ILE . 10143 1 95 . GLY . 10143 1 96 . VAL . 10143 1 97 . THR . 10143 1 98 . TYR . 10143 1 99 . GLY . 10143 1 100 . GLY . 10143 1 101 . ASP . 10143 1 102 . ASP . 10143 1 103 . ILE . 10143 1 104 . PRO . 10143 1 105 . LEU . 10143 1 106 . SER . 10143 1 107 . PRO . 10143 1 108 . TYR . 10143 1 109 . ARG . 10143 1 110 . ILE . 10143 1 111 . ARG . 10143 1 112 . ALA . 10143 1 113 . THR . 10143 1 114 . GLN . 10143 1 115 . THR . 10143 1 116 . GLY . 10143 1 117 . ASP . 10143 1 118 . ALA . 10143 1 119 . SER . 10143 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 10143 1 . SER 2 2 10143 1 . SER 3 3 10143 1 . GLY 4 4 10143 1 . SER 5 5 10143 1 . SER 6 6 10143 1 . GLY 7 7 10143 1 . ARG 8 8 10143 1 . SER 9 9 10143 1 . PRO 10 10 10143 1 . PHE 11 11 10143 1 . LYS 12 12 10143 1 . VAL 13 13 10143 1 . LYS 14 14 10143 1 . VAL 15 15 10143 1 . LEU 16 16 10143 1 . PRO 17 17 10143 1 . THR 18 18 10143 1 . TYR 19 19 10143 1 . ASP 20 20 10143 1 . ALA 21 21 10143 1 . SER 22 22 10143 1 . LYS 23 23 10143 1 . VAL 24 24 10143 1 . THR 25 25 10143 1 . ALA 26 26 10143 1 . SER 27 27 10143 1 . GLY 28 28 10143 1 . PRO 29 29 10143 1 . GLY 30 30 10143 1 . LEU 31 31 10143 1 . SER 32 32 10143 1 . SER 33 33 10143 1 . TYR 34 34 10143 1 . GLY 35 35 10143 1 . VAL 36 36 10143 1 . PRO 37 37 10143 1 . ALA 38 38 10143 1 . SER 39 39 10143 1 . LEU 40 40 10143 1 . PRO 41 41 10143 1 . VAL 42 42 10143 1 . ASP 43 43 10143 1 . PHE 44 44 10143 1 . ALA 45 45 10143 1 . ILE 46 46 10143 1 . ASP 47 47 10143 1 . ALA 48 48 10143 1 . ARG 49 49 10143 1 . ASP 50 50 10143 1 . ALA 51 51 10143 1 . GLY 52 52 10143 1 . GLU 53 53 10143 1 . GLY 54 54 10143 1 . LEU 55 55 10143 1 . LEU 56 56 10143 1 . ALA 57 57 10143 1 . VAL 58 58 10143 1 . GLN 59 59 10143 1 . ILE 60 60 10143 1 . THR 61 61 10143 1 . ASP 62 62 10143 1 . GLN 63 63 10143 1 . GLU 64 64 10143 1 . GLY 65 65 10143 1 . LYS 66 66 10143 1 . PRO 67 67 10143 1 . LYS 68 68 10143 1 . ARG 69 69 10143 1 . ALA 70 70 10143 1 . ILE 71 71 10143 1 . VAL 72 72 10143 1 . HIS 73 73 10143 1 . ASP 74 74 10143 1 . ASN 75 75 10143 1 . LYS 76 76 10143 1 . ASP 77 77 10143 1 . GLY 78 78 10143 1 . THR 79 79 10143 1 . TYR 80 80 10143 1 . ALA 81 81 10143 1 . VAL 82 82 10143 1 . THR 83 83 10143 1 . TYR 84 84 10143 1 . ILE 85 85 10143 1 . PRO 86 86 10143 1 . ASP 87 87 10143 1 . LYS 88 88 10143 1 . THR 89 89 10143 1 . GLY 90 90 10143 1 . ARG 91 91 10143 1 . TYR 92 92 10143 1 . MET 93 93 10143 1 . ILE 94 94 10143 1 . GLY 95 95 10143 1 . VAL 96 96 10143 1 . THR 97 97 10143 1 . TYR 98 98 10143 1 . GLY 99 99 10143 1 . GLY 100 100 10143 1 . ASP 101 101 10143 1 . ASP 102 102 10143 1 . ILE 103 103 10143 1 . PRO 104 104 10143 1 . LEU 105 105 10143 1 . SER 106 106 10143 1 . PRO 107 107 10143 1 . TYR 108 108 10143 1 . ARG 109 109 10143 1 . ILE 110 110 10143 1 . ARG 111 111 10143 1 . ALA 112 112 10143 1 . THR 113 113 10143 1 . GLN 114 114 10143 1 . THR 115 115 10143 1 . GLY 116 116 10143 1 . ASP 117 117 10143 1 . ALA 118 118 10143 1 . SER 119 119 10143 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 10143 _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 . . . . . . . . . . . . . . . . . . . . . 10143 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 10143 _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 . . P060619-05 . . . . . . 10143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10143 _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 1.19 . . mM . . . . 10143 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10143 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10143 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10143 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10143 1 6 H2O . . . . . . solvent 90 . . % . . . . 10143 1 7 D2O . . . . . . solvent 10 . . % . . . . 10143 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 10143 _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 10143 1 pH 7.0 0.05 pH 10143 1 pressure 1 0.001 atm 10143 1 temperature 296 0.1 K 10143 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10143 _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 . . 10143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10143 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10143 _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.' . . 10143 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10143 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10143 _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.' . . 10143 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10143 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10143 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10143 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10143 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10143 _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.' . . 10143 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10143 5 'structure solution' 10143 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 10143 _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 10143 _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 . . . 10143 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 10143 _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 . . . . . . . . . . . . . . . . 10143 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10143 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 10143 _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 . . . . . . . . . 10143 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10143 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10143 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 10143 _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 10143 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10143 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 SER HA H 1 4.733 0.030 . 1 . . . . 9 SER HA . 10143 1 2 . 1 1 10 10 PRO CA C 13 63.335 0.300 . 1 . . . . 10 PRO CA . 10143 1 3 . 1 1 10 10 PRO HA H 1 4.399 0.030 . 1 . . . . 10 PRO HA . 10143 1 4 . 1 1 10 10 PRO CB C 13 31.938 0.300 . 1 . . . . 10 PRO CB . 10143 1 5 . 1 1 10 10 PRO HB3 H 1 1.718 0.030 . 2 . . . . 10 PRO HB3 . 10143 1 6 . 1 1 10 10 PRO CG C 13 27.071 0.300 . 1 . . . . 10 PRO CG . 10143 1 7 . 1 1 10 10 PRO HG3 H 1 1.768 0.030 . 1 . . . . 10 PRO HG3 . 10143 1 8 . 1 1 10 10 PRO CD C 13 50.767 0.300 . 1 . . . . 10 PRO CD . 10143 1 9 . 1 1 10 10 PRO HD3 H 1 3.764 0.030 . 2 . . . . 10 PRO HD3 . 10143 1 10 . 1 1 10 10 PRO C C 13 176.442 0.300 . 1 . . . . 10 PRO C . 10143 1 11 . 1 1 10 10 PRO HB2 H 1 2.184 0.030 . 2 . . . . 10 PRO HB2 . 10143 1 12 . 1 1 10 10 PRO HD2 H 1 3.652 0.030 . 2 . . . . 10 PRO HD2 . 10143 1 13 . 1 1 10 10 PRO HG2 H 1 1.768 0.030 . 1 . . . . 10 PRO HG2 . 10143 1 14 . 1 1 11 11 PHE N N 15 119.801 0.300 . 1 . . . . 11 PHE N . 10143 1 15 . 1 1 11 11 PHE H H 1 8.036 0.030 . 1 . . . . 11 PHE H . 10143 1 16 . 1 1 11 11 PHE CA C 13 57.505 0.300 . 1 . . . . 11 PHE CA . 10143 1 17 . 1 1 11 11 PHE HA H 1 4.606 0.030 . 1 . . . . 11 PHE HA . 10143 1 18 . 1 1 11 11 PHE CB C 13 39.592 0.300 . 1 . . . . 11 PHE CB . 10143 1 19 . 1 1 11 11 PHE HB3 H 1 2.986 0.030 . 2 . . . . 11 PHE HB3 . 10143 1 20 . 1 1 11 11 PHE CD1 C 13 131.689 0.300 . 1 . . . . 11 PHE CD1 . 10143 1 21 . 1 1 11 11 PHE HD1 H 1 7.240 0.030 . 1 . . . . 11 PHE HD1 . 10143 1 22 . 1 1 11 11 PHE CD2 C 13 131.689 0.300 . 1 . . . . 11 PHE CD2 . 10143 1 23 . 1 1 11 11 PHE HD2 H 1 7.240 0.030 . 1 . . . . 11 PHE HD2 . 10143 1 24 . 1 1 11 11 PHE CE1 C 13 131.556 0.300 . 1 . . . . 11 PHE CE1 . 10143 1 25 . 1 1 11 11 PHE HE1 H 1 7.364 0.030 . 1 . . . . 11 PHE HE1 . 10143 1 26 . 1 1 11 11 PHE CE2 C 13 131.556 0.300 . 1 . . . . 11 PHE CE2 . 10143 1 27 . 1 1 11 11 PHE HE2 H 1 7.364 0.030 . 1 . . . . 11 PHE HE2 . 10143 1 28 . 1 1 11 11 PHE CZ C 13 129.933 0.300 . 1 . . . . 11 PHE CZ . 10143 1 29 . 1 1 11 11 PHE HZ H 1 7.309 0.030 . 1 . . . . 11 PHE HZ . 10143 1 30 . 1 1 11 11 PHE C C 13 175.401 0.300 . 1 . . . . 11 PHE C . 10143 1 31 . 1 1 11 11 PHE HB2 H 1 3.128 0.030 . 2 . . . . 11 PHE HB2 . 10143 1 32 . 1 1 12 12 LYS N N 15 123.563 0.300 . 1 . . . . 12 LYS N . 10143 1 33 . 1 1 12 12 LYS H H 1 8.112 0.030 . 1 . . . . 12 LYS H . 10143 1 34 . 1 1 12 12 LYS CA C 13 56.175 0.300 . 1 . . . . 12 LYS CA . 10143 1 35 . 1 1 12 12 LYS HA H 1 4.322 0.030 . 1 . . . . 12 LYS HA . 10143 1 36 . 1 1 12 12 LYS CB C 13 33.352 0.300 . 1 . . . . 12 LYS CB . 10143 1 37 . 1 1 12 12 LYS HB3 H 1 1.766 0.030 . 2 . . . . 12 LYS HB3 . 10143 1 38 . 1 1 12 12 LYS CG C 13 24.785 0.300 . 1 . . . . 12 LYS CG . 10143 1 39 . 1 1 12 12 LYS HG3 H 1 1.349 0.030 . 1 . . . . 12 LYS HG3 . 10143 1 40 . 1 1 12 12 LYS CD C 13 29.189 0.300 . 1 . . . . 12 LYS CD . 10143 1 41 . 1 1 12 12 LYS HD3 H 1 1.681 0.030 . 1 . . . . 12 LYS HD3 . 10143 1 42 . 1 1 12 12 LYS CE C 13 42.092 0.300 . 1 . . . . 12 LYS CE . 10143 1 43 . 1 1 12 12 LYS HE3 H 1 2.997 0.030 . 1 . . . . 12 LYS HE3 . 10143 1 44 . 1 1 12 12 LYS C C 13 175.802 0.300 . 1 . . . . 12 LYS C . 10143 1 45 . 1 1 12 12 LYS HB2 H 1 1.682 0.030 . 2 . . . . 12 LYS HB2 . 10143 1 46 . 1 1 12 12 LYS HD2 H 1 1.681 0.030 . 1 . . . . 12 LYS HD2 . 10143 1 47 . 1 1 12 12 LYS HE2 H 1 2.997 0.030 . 1 . . . . 12 LYS HE2 . 10143 1 48 . 1 1 12 12 LYS HG2 H 1 1.349 0.030 . 1 . . . . 12 LYS HG2 . 10143 1 49 . 1 1 13 13 VAL N N 15 122.071 0.300 . 1 . . . . 13 VAL N . 10143 1 50 . 1 1 13 13 VAL H H 1 8.080 0.030 . 1 . . . . 13 VAL H . 10143 1 51 . 1 1 13 13 VAL CA C 13 62.280 0.300 . 1 . . . . 13 VAL CA . 10143 1 52 . 1 1 13 13 VAL HA H 1 4.036 0.030 . 1 . . . . 13 VAL HA . 10143 1 53 . 1 1 13 13 VAL CB C 13 32.895 0.300 . 1 . . . . 13 VAL CB . 10143 1 54 . 1 1 13 13 VAL HB H 1 2.031 0.030 . 1 . . . . 13 VAL HB . 10143 1 55 . 1 1 13 13 VAL CG1 C 13 20.749 0.300 . 1 . . . . 13 VAL CG1 . 10143 1 56 . 1 1 13 13 VAL HG11 H 1 0.956 0.030 . 1 . . . . 13 VAL HG1 . 10143 1 57 . 1 1 13 13 VAL HG12 H 1 0.956 0.030 . 1 . . . . 13 VAL HG1 . 10143 1 58 . 1 1 13 13 VAL HG13 H 1 0.956 0.030 . 1 . . . . 13 VAL HG1 . 10143 1 59 . 1 1 13 13 VAL CG2 C 13 20.749 0.300 . 1 . . . . 13 VAL CG2 . 10143 1 60 . 1 1 13 13 VAL HG21 H 1 0.956 0.030 . 1 . . . . 13 VAL HG2 . 10143 1 61 . 1 1 13 13 VAL HG22 H 1 0.956 0.030 . 1 . . . . 13 VAL HG2 . 10143 1 62 . 1 1 13 13 VAL HG23 H 1 0.956 0.030 . 1 . . . . 13 VAL HG2 . 10143 1 63 . 1 1 13 13 VAL C C 13 175.814 0.300 . 1 . . . . 13 VAL C . 10143 1 64 . 1 1 14 14 LYS N N 15 125.874 0.300 . 1 . . . . 14 LYS N . 10143 1 65 . 1 1 14 14 LYS H H 1 8.392 0.030 . 1 . . . . 14 LYS H . 10143 1 66 . 1 1 14 14 LYS CA C 13 56.250 0.300 . 1 . . . . 14 LYS CA . 10143 1 67 . 1 1 14 14 LYS HA H 1 4.322 0.030 . 1 . . . . 14 LYS HA . 10143 1 68 . 1 1 14 14 LYS CB C 13 33.193 0.300 . 1 . . . . 14 LYS CB . 10143 1 69 . 1 1 14 14 LYS HB3 H 1 1.790 0.030 . 2 . . . . 14 LYS HB3 . 10143 1 70 . 1 1 14 14 LYS CG C 13 25.068 0.300 . 1 . . . . 14 LYS CG . 10143 1 71 . 1 1 14 14 LYS CD C 13 29.189 0.300 . 1 . . . . 14 LYS CD . 10143 1 72 . 1 1 14 14 LYS CE C 13 42.048 0.300 . 1 . . . . 14 LYS CE . 10143 1 73 . 1 1 14 14 LYS C C 13 175.973 0.300 . 1 . . . . 14 LYS C . 10143 1 74 . 1 1 14 14 LYS HB2 H 1 1.731 0.030 . 2 . . . . 14 LYS HB2 . 10143 1 75 . 1 1 15 15 VAL N N 15 123.129 0.300 . 1 . . . . 15 VAL N . 10143 1 76 . 1 1 15 15 VAL H H 1 8.204 0.030 . 1 . . . . 15 VAL H . 10143 1 77 . 1 1 15 15 VAL CA C 13 62.033 0.300 . 1 . . . . 15 VAL CA . 10143 1 78 . 1 1 15 15 VAL HA H 1 4.100 0.030 . 1 . . . . 15 VAL HA . 10143 1 79 . 1 1 15 15 VAL CB C 13 32.858 0.300 . 1 . . . . 15 VAL CB . 10143 1 80 . 1 1 15 15 VAL HB H 1 2.012 0.030 . 1 . . . . 15 VAL HB . 10143 1 81 . 1 1 15 15 VAL CG1 C 13 20.656 0.300 . 2 . . . . 15 VAL CG1 . 10143 1 82 . 1 1 15 15 VAL HG11 H 1 0.917 0.030 . 1 . . . . 15 VAL HG1 . 10143 1 83 . 1 1 15 15 VAL HG12 H 1 0.917 0.030 . 1 . . . . 15 VAL HG1 . 10143 1 84 . 1 1 15 15 VAL HG13 H 1 0.917 0.030 . 1 . . . . 15 VAL HG1 . 10143 1 85 . 1 1 15 15 VAL CG2 C 13 21.218 0.300 . 2 . . . . 15 VAL CG2 . 10143 1 86 . 1 1 15 15 VAL HG21 H 1 0.916 0.030 . 1 . . . . 15 VAL HG2 . 10143 1 87 . 1 1 15 15 VAL HG22 H 1 0.916 0.030 . 1 . . . . 15 VAL HG2 . 10143 1 88 . 1 1 15 15 VAL HG23 H 1 0.916 0.030 . 1 . . . . 15 VAL HG2 . 10143 1 89 . 1 1 15 15 VAL C C 13 175.717 0.300 . 1 . . . . 15 VAL C . 10143 1 90 . 1 1 16 16 LEU N N 15 127.971 0.300 . 1 . . . . 16 LEU N . 10143 1 91 . 1 1 16 16 LEU H H 1 8.378 0.030 . 1 . . . . 16 LEU H . 10143 1 92 . 1 1 16 16 LEU CA C 13 52.885 0.300 . 1 . . . . 16 LEU CA . 10143 1 93 . 1 1 16 16 LEU HA H 1 4.624 0.030 . 1 . . . . 16 LEU HA . 10143 1 94 . 1 1 16 16 LEU CB C 13 41.706 0.300 . 1 . . . . 16 LEU CB . 10143 1 95 . 1 1 16 16 LEU HB3 H 1 1.571 0.030 . 2 . . . . 16 LEU HB3 . 10143 1 96 . 1 1 16 16 LEU CG C 13 27.123 0.300 . 1 . . . . 16 LEU CG . 10143 1 97 . 1 1 16 16 LEU HG H 1 1.673 0.030 . 1 . . . . 16 LEU HG . 10143 1 98 . 1 1 16 16 LEU CD1 C 13 25.159 0.300 . 2 . . . . 16 LEU CD1 . 10143 1 99 . 1 1 16 16 LEU HD11 H 1 0.939 0.030 . 1 . . . . 16 LEU HD1 . 10143 1 100 . 1 1 16 16 LEU HD12 H 1 0.939 0.030 . 1 . . . . 16 LEU HD1 . 10143 1 101 . 1 1 16 16 LEU HD13 H 1 0.939 0.030 . 1 . . . . 16 LEU HD1 . 10143 1 102 . 1 1 16 16 LEU CD2 C 13 23.370 0.300 . 2 . . . . 16 LEU CD2 . 10143 1 103 . 1 1 16 16 LEU HD21 H 1 0.904 0.030 . 1 . . . . 16 LEU HD2 . 10143 1 104 . 1 1 16 16 LEU HD22 H 1 0.904 0.030 . 1 . . . . 16 LEU HD2 . 10143 1 105 . 1 1 16 16 LEU HD23 H 1 0.904 0.030 . 1 . . . . 16 LEU HD2 . 10143 1 106 . 1 1 16 16 LEU C C 13 175.092 0.300 . 1 . . . . 16 LEU C . 10143 1 107 . 1 1 16 16 LEU HB2 H 1 1.603 0.030 . 2 . . . . 16 LEU HB2 . 10143 1 108 . 1 1 17 17 PRO CA C 13 62.704 0.300 . 1 . . . . 17 PRO CA . 10143 1 109 . 1 1 17 17 PRO HA H 1 4.556 0.030 . 1 . . . . 17 PRO HA . 10143 1 110 . 1 1 17 17 PRO CB C 13 32.293 0.300 . 1 . . . . 17 PRO CB . 10143 1 111 . 1 1 17 17 PRO HB3 H 1 1.823 0.030 . 2 . . . . 17 PRO HB3 . 10143 1 112 . 1 1 17 17 PRO CG C 13 27.458 0.300 . 1 . . . . 17 PRO CG . 10143 1 113 . 1 1 17 17 PRO HG3 H 1 2.001 0.030 . 1 . . . . 17 PRO HG3 . 10143 1 114 . 1 1 17 17 PRO CD C 13 50.575 0.300 . 1 . . . . 17 PRO CD . 10143 1 115 . 1 1 17 17 PRO HD3 H 1 3.841 0.030 . 2 . . . . 17 PRO HD3 . 10143 1 116 . 1 1 17 17 PRO C C 13 177.319 0.300 . 1 . . . . 17 PRO C . 10143 1 117 . 1 1 17 17 PRO HB2 H 1 2.181 0.030 . 2 . . . . 17 PRO HB2 . 10143 1 118 . 1 1 17 17 PRO HD2 H 1 3.648 0.030 . 2 . . . . 17 PRO HD2 . 10143 1 119 . 1 1 17 17 PRO HG2 H 1 2.001 0.030 . 1 . . . . 17 PRO HG2 . 10143 1 120 . 1 1 18 18 THR N N 15 112.726 0.300 . 1 . . . . 18 THR N . 10143 1 121 . 1 1 18 18 THR H H 1 8.497 0.030 . 1 . . . . 18 THR H . 10143 1 122 . 1 1 18 18 THR CA C 13 62.335 0.300 . 1 . . . . 18 THR CA . 10143 1 123 . 1 1 18 18 THR HA H 1 4.352 0.030 . 1 . . . . 18 THR HA . 10143 1 124 . 1 1 18 18 THR CB C 13 69.700 0.300 . 1 . . . . 18 THR CB . 10143 1 125 . 1 1 18 18 THR HB H 1 4.505 0.030 . 1 . . . . 18 THR HB . 10143 1 126 . 1 1 18 18 THR CG2 C 13 21.691 0.300 . 1 . . . . 18 THR CG2 . 10143 1 127 . 1 1 18 18 THR HG21 H 1 1.297 0.030 . 1 . . . . 18 THR HG2 . 10143 1 128 . 1 1 18 18 THR HG22 H 1 1.297 0.030 . 1 . . . . 18 THR HG2 . 10143 1 129 . 1 1 18 18 THR HG23 H 1 1.297 0.030 . 1 . . . . 18 THR HG2 . 10143 1 130 . 1 1 18 18 THR C C 13 173.418 0.300 . 1 . . . . 18 THR C . 10143 1 131 . 1 1 19 19 TYR N N 15 118.883 0.300 . 1 . . . . 19 TYR N . 10143 1 132 . 1 1 19 19 TYR H H 1 7.244 0.030 . 1 . . . . 19 TYR H . 10143 1 133 . 1 1 19 19 TYR CA C 13 55.270 0.300 . 1 . . . . 19 TYR CA . 10143 1 134 . 1 1 19 19 TYR HA H 1 5.404 0.030 . 1 . . . . 19 TYR HA . 10143 1 135 . 1 1 19 19 TYR CB C 13 40.974 0.300 . 1 . . . . 19 TYR CB . 10143 1 136 . 1 1 19 19 TYR HB3 H 1 2.985 0.030 . 2 . . . . 19 TYR HB3 . 10143 1 137 . 1 1 19 19 TYR CD1 C 13 133.048 0.300 . 1 . . . . 19 TYR CD1 . 10143 1 138 . 1 1 19 19 TYR HD1 H 1 7.004 0.030 . 1 . . . . 19 TYR HD1 . 10143 1 139 . 1 1 19 19 TYR CD2 C 13 133.048 0.300 . 1 . . . . 19 TYR CD2 . 10143 1 140 . 1 1 19 19 TYR HD2 H 1 7.004 0.030 . 1 . . . . 19 TYR HD2 . 10143 1 141 . 1 1 19 19 TYR CE1 C 13 119.001 0.300 . 1 . . . . 19 TYR CE1 . 10143 1 142 . 1 1 19 19 TYR HE1 H 1 6.997 0.030 . 1 . . . . 19 TYR HE1 . 10143 1 143 . 1 1 19 19 TYR CE2 C 13 119.001 0.300 . 1 . . . . 19 TYR CE2 . 10143 1 144 . 1 1 19 19 TYR HE2 H 1 6.997 0.030 . 1 . . . . 19 TYR HE2 . 10143 1 145 . 1 1 19 19 TYR C C 13 174.318 0.300 . 1 . . . . 19 TYR C . 10143 1 146 . 1 1 19 19 TYR HB2 H 1 2.804 0.030 . 2 . . . . 19 TYR HB2 . 10143 1 147 . 1 1 20 20 ASP N N 15 118.193 0.300 . 1 . . . . 20 ASP N . 10143 1 148 . 1 1 20 20 ASP H H 1 8.686 0.030 . 1 . . . . 20 ASP H . 10143 1 149 . 1 1 20 20 ASP CA C 13 53.226 0.300 . 1 . . . . 20 ASP CA . 10143 1 150 . 1 1 20 20 ASP HA H 1 4.539 0.030 . 1 . . . . 20 ASP HA . 10143 1 151 . 1 1 20 20 ASP CB C 13 41.490 0.300 . 1 . . . . 20 ASP CB . 10143 1 152 . 1 1 20 20 ASP HB3 H 1 2.442 0.030 . 2 . . . . 20 ASP HB3 . 10143 1 153 . 1 1 20 20 ASP C C 13 176.349 0.300 . 1 . . . . 20 ASP C . 10143 1 154 . 1 1 20 20 ASP HB2 H 1 2.760 0.030 . 2 . . . . 20 ASP HB2 . 10143 1 155 . 1 1 21 21 ALA N N 15 127.255 0.300 . 1 . . . . 21 ALA N . 10143 1 156 . 1 1 21 21 ALA H H 1 9.404 0.030 . 1 . . . . 21 ALA H . 10143 1 157 . 1 1 21 21 ALA CA C 13 55.157 0.300 . 1 . . . . 21 ALA CA . 10143 1 158 . 1 1 21 21 ALA HA H 1 4.204 0.030 . 1 . . . . 21 ALA HA . 10143 1 159 . 1 1 21 21 ALA CB C 13 19.890 0.300 . 1 . . . . 21 ALA CB . 10143 1 160 . 1 1 21 21 ALA HB1 H 1 1.828 0.030 . 1 . . . . 21 ALA HB . 10143 1 161 . 1 1 21 21 ALA HB2 H 1 1.828 0.030 . 1 . . . . 21 ALA HB . 10143 1 162 . 1 1 21 21 ALA HB3 H 1 1.828 0.030 . 1 . . . . 21 ALA HB . 10143 1 163 . 1 1 21 21 ALA C C 13 178.113 0.300 . 1 . . . . 21 ALA C . 10143 1 164 . 1 1 22 22 SER N N 15 110.959 0.300 . 1 . . . . 22 SER N . 10143 1 165 . 1 1 22 22 SER H H 1 8.397 0.030 . 1 . . . . 22 SER H . 10143 1 166 . 1 1 22 22 SER CA C 13 60.794 0.300 . 1 . . . . 22 SER CA . 10143 1 167 . 1 1 22 22 SER HA H 1 4.363 0.030 . 1 . . . . 22 SER HA . 10143 1 168 . 1 1 22 22 SER CB C 13 62.850 0.300 . 1 . . . . 22 SER CB . 10143 1 169 . 1 1 22 22 SER HB3 H 1 4.053 0.030 . 2 . . . . 22 SER HB3 . 10143 1 170 . 1 1 22 22 SER C C 13 175.425 0.300 . 1 . . . . 22 SER C . 10143 1 171 . 1 1 22 22 SER HB2 H 1 3.982 0.030 . 2 . . . . 22 SER HB2 . 10143 1 172 . 1 1 23 23 LYS N N 15 119.671 0.300 . 1 . . . . 23 LYS N . 10143 1 173 . 1 1 23 23 LYS H H 1 7.366 0.030 . 1 . . . . 23 LYS H . 10143 1 174 . 1 1 23 23 LYS CA C 13 54.818 0.300 . 1 . . . . 23 LYS CA . 10143 1 175 . 1 1 23 23 LYS HA H 1 4.368 0.030 . 1 . . . . 23 LYS HA . 10143 1 176 . 1 1 23 23 LYS CB C 13 33.063 0.300 . 1 . . . . 23 LYS CB . 10143 1 177 . 1 1 23 23 LYS HB3 H 1 1.873 0.030 . 2 . . . . 23 LYS HB3 . 10143 1 178 . 1 1 23 23 LYS CG C 13 24.985 0.300 . 1 . . . . 23 LYS CG . 10143 1 179 . 1 1 23 23 LYS HG3 H 1 1.444 0.030 . 2 . . . . 23 LYS HG3 . 10143 1 180 . 1 1 23 23 LYS CD C 13 28.391 0.300 . 1 . . . . 23 LYS CD . 10143 1 181 . 1 1 23 23 LYS HD3 H 1 1.625 0.030 . 2 . . . . 23 LYS HD3 . 10143 1 182 . 1 1 23 23 LYS CE C 13 42.295 0.300 . 1 . . . . 23 LYS CE . 10143 1 183 . 1 1 23 23 LYS HE3 H 1 2.964 0.030 . 1 . . . . 23 LYS HE3 . 10143 1 184 . 1 1 23 23 LYS C C 13 176.544 0.300 . 1 . . . . 23 LYS C . 10143 1 185 . 1 1 23 23 LYS HB2 H 1 1.546 0.030 . 2 . . . . 23 LYS HB2 . 10143 1 186 . 1 1 23 23 LYS HD2 H 1 1.576 0.030 . 2 . . . . 23 LYS HD2 . 10143 1 187 . 1 1 23 23 LYS HE2 H 1 2.964 0.030 . 1 . . . . 23 LYS HE2 . 10143 1 188 . 1 1 23 23 LYS HG2 H 1 1.229 0.030 . 2 . . . . 23 LYS HG2 . 10143 1 189 . 1 1 24 24 VAL N N 15 123.377 0.300 . 1 . . . . 24 VAL N . 10143 1 190 . 1 1 24 24 VAL H H 1 7.392 0.030 . 1 . . . . 24 VAL H . 10143 1 191 . 1 1 24 24 VAL CA C 13 62.722 0.300 . 1 . . . . 24 VAL CA . 10143 1 192 . 1 1 24 24 VAL HA H 1 4.184 0.030 . 1 . . . . 24 VAL HA . 10143 1 193 . 1 1 24 24 VAL CB C 13 31.780 0.300 . 1 . . . . 24 VAL CB . 10143 1 194 . 1 1 24 24 VAL HB H 1 2.048 0.030 . 1 . . . . 24 VAL HB . 10143 1 195 . 1 1 24 24 VAL CG1 C 13 23.337 0.300 . 2 . . . . 24 VAL CG1 . 10143 1 196 . 1 1 24 24 VAL HG11 H 1 0.713 0.030 . 1 . . . . 24 VAL HG1 . 10143 1 197 . 1 1 24 24 VAL HG12 H 1 0.713 0.030 . 1 . . . . 24 VAL HG1 . 10143 1 198 . 1 1 24 24 VAL HG13 H 1 0.713 0.030 . 1 . . . . 24 VAL HG1 . 10143 1 199 . 1 1 24 24 VAL CG2 C 13 23.450 0.300 . 2 . . . . 24 VAL CG2 . 10143 1 200 . 1 1 24 24 VAL HG21 H 1 0.449 0.030 . 1 . . . . 24 VAL HG2 . 10143 1 201 . 1 1 24 24 VAL HG22 H 1 0.449 0.030 . 1 . . . . 24 VAL HG2 . 10143 1 202 . 1 1 24 24 VAL HG23 H 1 0.449 0.030 . 1 . . . . 24 VAL HG2 . 10143 1 203 . 1 1 24 24 VAL C C 13 175.644 0.300 . 1 . . . . 24 VAL C . 10143 1 204 . 1 1 25 25 THR N N 15 117.441 0.300 . 1 . . . . 25 THR N . 10143 1 205 . 1 1 25 25 THR H H 1 8.384 0.030 . 1 . . . . 25 THR H . 10143 1 206 . 1 1 25 25 THR CA C 13 59.858 0.300 . 1 . . . . 25 THR CA . 10143 1 207 . 1 1 25 25 THR HA H 1 4.784 0.030 . 1 . . . . 25 THR HA . 10143 1 208 . 1 1 25 25 THR CB C 13 71.687 0.300 . 1 . . . . 25 THR CB . 10143 1 209 . 1 1 25 25 THR HB H 1 4.283 0.030 . 1 . . . . 25 THR HB . 10143 1 210 . 1 1 25 25 THR CG2 C 13 21.520 0.300 . 1 . . . . 25 THR CG2 . 10143 1 211 . 1 1 25 25 THR HG21 H 1 1.202 0.030 . 1 . . . . 25 THR HG2 . 10143 1 212 . 1 1 25 25 THR HG22 H 1 1.202 0.030 . 1 . . . . 25 THR HG2 . 10143 1 213 . 1 1 25 25 THR HG23 H 1 1.202 0.030 . 1 . . . . 25 THR HG2 . 10143 1 214 . 1 1 25 25 THR C C 13 172.360 0.300 . 1 . . . . 25 THR C . 10143 1 215 . 1 1 26 26 ALA N N 15 123.956 0.300 . 1 . . . . 26 ALA N . 10143 1 216 . 1 1 26 26 ALA H H 1 8.440 0.030 . 1 . . . . 26 ALA H . 10143 1 217 . 1 1 26 26 ALA CA C 13 51.022 0.300 . 1 . . . . 26 ALA CA . 10143 1 218 . 1 1 26 26 ALA HA H 1 5.575 0.030 . 1 . . . . 26 ALA HA . 10143 1 219 . 1 1 26 26 ALA CB C 13 22.576 0.300 . 1 . . . . 26 ALA CB . 10143 1 220 . 1 1 26 26 ALA HB1 H 1 1.268 0.030 . 1 . . . . 26 ALA HB . 10143 1 221 . 1 1 26 26 ALA HB2 H 1 1.268 0.030 . 1 . . . . 26 ALA HB . 10143 1 222 . 1 1 26 26 ALA HB3 H 1 1.268 0.030 . 1 . . . . 26 ALA HB . 10143 1 223 . 1 1 26 26 ALA C C 13 176.301 0.300 . 1 . . . . 26 ALA C . 10143 1 224 . 1 1 27 27 SER N N 15 114.430 0.300 . 1 . . . . 27 SER N . 10143 1 225 . 1 1 27 27 SER H H 1 9.021 0.030 . 1 . . . . 27 SER H . 10143 1 226 . 1 1 27 27 SER CA C 13 57.771 0.300 . 1 . . . . 27 SER CA . 10143 1 227 . 1 1 27 27 SER HA H 1 4.745 0.030 . 1 . . . . 27 SER HA . 10143 1 228 . 1 1 27 27 SER CB C 13 65.911 0.300 . 1 . . . . 27 SER CB . 10143 1 229 . 1 1 27 27 SER HB3 H 1 3.921 0.030 . 1 . . . . 27 SER HB3 . 10143 1 230 . 1 1 27 27 SER C C 13 172.798 0.300 . 1 . . . . 27 SER C . 10143 1 231 . 1 1 27 27 SER HB2 H 1 3.921 0.030 . 1 . . . . 27 SER HB2 . 10143 1 232 . 1 1 28 28 GLY N N 15 108.618 0.300 . 1 . . . . 28 GLY N . 10143 1 233 . 1 1 28 28 GLY H H 1 8.516 0.030 . 1 . . . . 28 GLY H . 10143 1 234 . 1 1 28 28 GLY CA C 13 44.966 0.300 . 1 . . . . 28 GLY CA . 10143 1 235 . 1 1 28 28 GLY HA3 H 1 4.102 0.030 . 2 . . . . 28 GLY HA3 . 10143 1 236 . 1 1 28 28 GLY C C 13 173.392 0.300 . 1 . . . . 28 GLY C . 10143 1 237 . 1 1 28 28 GLY HA2 H 1 5.026 0.030 . 2 . . . . 28 GLY HA2 . 10143 1 238 . 1 1 29 29 PRO CA C 13 65.446 0.300 . 1 . . . . 29 PRO CA . 10143 1 239 . 1 1 29 29 PRO HA H 1 4.399 0.030 . 1 . . . . 29 PRO HA . 10143 1 240 . 1 1 29 29 PRO CB C 13 31.739 0.300 . 1 . . . . 29 PRO CB . 10143 1 241 . 1 1 29 29 PRO HB3 H 1 2.092 0.030 . 2 . . . . 29 PRO HB3 . 10143 1 242 . 1 1 29 29 PRO CG C 13 27.833 0.300 . 1 . . . . 29 PRO CG . 10143 1 243 . 1 1 29 29 PRO HG3 H 1 2.450 0.030 . 2 . . . . 29 PRO HG3 . 10143 1 244 . 1 1 29 29 PRO CD C 13 50.265 0.300 . 1 . . . . 29 PRO CD . 10143 1 245 . 1 1 29 29 PRO HD3 H 1 3.951 0.030 . 2 . . . . 29 PRO HD3 . 10143 1 246 . 1 1 29 29 PRO C C 13 179.804 0.300 . 1 . . . . 29 PRO C . 10143 1 247 . 1 1 29 29 PRO HB2 H 1 2.458 0.030 . 2 . . . . 29 PRO HB2 . 10143 1 248 . 1 1 29 29 PRO HD2 H 1 3.691 0.030 . 2 . . . . 29 PRO HD2 . 10143 1 249 . 1 1 29 29 PRO HG2 H 1 2.150 0.030 . 2 . . . . 29 PRO HG2 . 10143 1 250 . 1 1 30 30 GLY N N 15 103.199 0.300 . 1 . . . . 30 GLY N . 10143 1 251 . 1 1 30 30 GLY H H 1 9.156 0.030 . 1 . . . . 30 GLY H . 10143 1 252 . 1 1 30 30 GLY CA C 13 46.458 0.300 . 1 . . . . 30 GLY CA . 10143 1 253 . 1 1 30 30 GLY HA3 H 1 3.331 0.030 . 2 . . . . 30 GLY HA3 . 10143 1 254 . 1 1 30 30 GLY C C 13 171.694 0.300 . 1 . . . . 30 GLY C . 10143 1 255 . 1 1 30 30 GLY HA2 H 1 4.062 0.030 . 2 . . . . 30 GLY HA2 . 10143 1 256 . 1 1 31 31 LEU N N 15 116.112 0.300 . 1 . . . . 31 LEU N . 10143 1 257 . 1 1 31 31 LEU H H 1 7.351 0.030 . 1 . . . . 31 LEU H . 10143 1 258 . 1 1 31 31 LEU CA C 13 52.607 0.300 . 1 . . . . 31 LEU CA . 10143 1 259 . 1 1 31 31 LEU HA H 1 4.269 0.030 . 1 . . . . 31 LEU HA . 10143 1 260 . 1 1 31 31 LEU CB C 13 41.265 0.300 . 1 . . . . 31 LEU CB . 10143 1 261 . 1 1 31 31 LEU HB3 H 1 1.181 0.030 . 2 . . . . 31 LEU HB3 . 10143 1 262 . 1 1 31 31 LEU CG C 13 25.581 0.300 . 1 . . . . 31 LEU CG . 10143 1 263 . 1 1 31 31 LEU HG H 1 0.181 0.030 . 1 . . . . 31 LEU HG . 10143 1 264 . 1 1 31 31 LEU CD1 C 13 25.260 0.300 . 2 . . . . 31 LEU CD1 . 10143 1 265 . 1 1 31 31 LEU HD11 H 1 -0.214 0.030 . 1 . . . . 31 LEU HD1 . 10143 1 266 . 1 1 31 31 LEU HD12 H 1 -0.214 0.030 . 1 . . . . 31 LEU HD1 . 10143 1 267 . 1 1 31 31 LEU HD13 H 1 -0.214 0.030 . 1 . . . . 31 LEU HD1 . 10143 1 268 . 1 1 31 31 LEU CD2 C 13 19.874 0.300 . 2 . . . . 31 LEU CD2 . 10143 1 269 . 1 1 31 31 LEU HD21 H 1 -0.860 0.030 . 1 . . . . 31 LEU HD2 . 10143 1 270 . 1 1 31 31 LEU HD22 H 1 -0.860 0.030 . 1 . . . . 31 LEU HD2 . 10143 1 271 . 1 1 31 31 LEU HD23 H 1 -0.860 0.030 . 1 . . . . 31 LEU HD2 . 10143 1 272 . 1 1 31 31 LEU C C 13 176.751 0.300 . 1 . . . . 31 LEU C . 10143 1 273 . 1 1 31 31 LEU HB2 H 1 1.089 0.030 . 2 . . . . 31 LEU HB2 . 10143 1 274 . 1 1 32 32 SER N N 15 114.056 0.300 . 1 . . . . 32 SER N . 10143 1 275 . 1 1 32 32 SER H H 1 6.986 0.030 . 1 . . . . 32 SER H . 10143 1 276 . 1 1 32 32 SER CA C 13 58.750 0.300 . 1 . . . . 32 SER CA . 10143 1 277 . 1 1 32 32 SER HA H 1 4.268 0.030 . 1 . . . . 32 SER HA . 10143 1 278 . 1 1 32 32 SER CB C 13 64.571 0.300 . 1 . . . . 32 SER CB . 10143 1 279 . 1 1 32 32 SER HB3 H 1 3.822 0.030 . 2 . . . . 32 SER HB3 . 10143 1 280 . 1 1 32 32 SER C C 13 176.483 0.300 . 1 . . . . 32 SER C . 10143 1 281 . 1 1 32 32 SER HB2 H 1 4.163 0.030 . 2 . . . . 32 SER HB2 . 10143 1 282 . 1 1 33 33 SER N N 15 123.249 0.300 . 1 . . . . 33 SER N . 10143 1 283 . 1 1 33 33 SER H H 1 8.887 0.030 . 1 . . . . 33 SER H . 10143 1 284 . 1 1 33 33 SER CA C 13 60.176 0.300 . 1 . . . . 33 SER CA . 10143 1 285 . 1 1 33 33 SER HA H 1 4.409 0.030 . 1 . . . . 33 SER HA . 10143 1 286 . 1 1 33 33 SER CB C 13 63.098 0.300 . 1 . . . . 33 SER CB . 10143 1 287 . 1 1 33 33 SER HB3 H 1 3.895 0.030 . 2 . . . . 33 SER HB3 . 10143 1 288 . 1 1 33 33 SER C C 13 174.922 0.300 . 1 . . . . 33 SER C . 10143 1 289 . 1 1 33 33 SER HB2 H 1 3.829 0.030 . 2 . . . . 33 SER HB2 . 10143 1 290 . 1 1 34 34 TYR N N 15 120.641 0.300 . 1 . . . . 34 TYR N . 10143 1 291 . 1 1 34 34 TYR H H 1 8.225 0.030 . 1 . . . . 34 TYR H . 10143 1 292 . 1 1 34 34 TYR CA C 13 58.266 0.300 . 1 . . . . 34 TYR CA . 10143 1 293 . 1 1 34 34 TYR HA H 1 4.622 0.030 . 1 . . . . 34 TYR HA . 10143 1 294 . 1 1 34 34 TYR CB C 13 38.478 0.300 . 1 . . . . 34 TYR CB . 10143 1 295 . 1 1 34 34 TYR HB3 H 1 2.850 0.030 . 2 . . . . 34 TYR HB3 . 10143 1 296 . 1 1 34 34 TYR CD1 C 13 133.097 0.300 . 1 . . . . 34 TYR CD1 . 10143 1 297 . 1 1 34 34 TYR HD1 H 1 7.169 0.030 . 1 . . . . 34 TYR HD1 . 10143 1 298 . 1 1 34 34 TYR CD2 C 13 133.097 0.300 . 1 . . . . 34 TYR CD2 . 10143 1 299 . 1 1 34 34 TYR HD2 H 1 7.169 0.030 . 1 . . . . 34 TYR HD2 . 10143 1 300 . 1 1 34 34 TYR CE1 C 13 118.308 0.300 . 1 . . . . 34 TYR CE1 . 10143 1 301 . 1 1 34 34 TYR HE1 H 1 6.869 0.030 . 1 . . . . 34 TYR HE1 . 10143 1 302 . 1 1 34 34 TYR CE2 C 13 118.308 0.300 . 1 . . . . 34 TYR CE2 . 10143 1 303 . 1 1 34 34 TYR HE2 H 1 6.869 0.030 . 1 . . . . 34 TYR HE2 . 10143 1 304 . 1 1 34 34 TYR C C 13 175.881 0.300 . 1 . . . . 34 TYR C . 10143 1 305 . 1 1 34 34 TYR HB2 H 1 3.316 0.030 . 2 . . . . 34 TYR HB2 . 10143 1 306 . 1 1 35 35 GLY N N 15 109.142 0.300 . 1 . . . . 35 GLY N . 10143 1 307 . 1 1 35 35 GLY H H 1 7.416 0.030 . 1 . . . . 35 GLY H . 10143 1 308 . 1 1 35 35 GLY CA C 13 44.524 0.300 . 1 . . . . 35 GLY CA . 10143 1 309 . 1 1 35 35 GLY HA3 H 1 4.411 0.030 . 2 . . . . 35 GLY HA3 . 10143 1 310 . 1 1 35 35 GLY C C 13 172.956 0.300 . 1 . . . . 35 GLY C . 10143 1 311 . 1 1 35 35 GLY HA2 H 1 4.324 0.030 . 2 . . . . 35 GLY HA2 . 10143 1 312 . 1 1 36 36 VAL N N 15 116.841 0.300 . 1 . . . . 36 VAL N . 10143 1 313 . 1 1 36 36 VAL H H 1 8.617 0.030 . 1 . . . . 36 VAL H . 10143 1 314 . 1 1 36 36 VAL CA C 13 57.700 0.300 . 1 . . . . 36 VAL CA . 10143 1 315 . 1 1 36 36 VAL HA H 1 4.880 0.030 . 1 . . . . 36 VAL HA . 10143 1 316 . 1 1 36 36 VAL CB C 13 33.474 0.300 . 1 . . . . 36 VAL CB . 10143 1 317 . 1 1 36 36 VAL HB H 1 2.060 0.030 . 1 . . . . 36 VAL HB . 10143 1 318 . 1 1 36 36 VAL CG1 C 13 22.601 0.300 . 2 . . . . 36 VAL CG1 . 10143 1 319 . 1 1 36 36 VAL HG11 H 1 0.984 0.030 . 1 . . . . 36 VAL HG1 . 10143 1 320 . 1 1 36 36 VAL HG12 H 1 0.984 0.030 . 1 . . . . 36 VAL HG1 . 10143 1 321 . 1 1 36 36 VAL HG13 H 1 0.984 0.030 . 1 . . . . 36 VAL HG1 . 10143 1 322 . 1 1 36 36 VAL CG2 C 13 19.600 0.300 . 2 . . . . 36 VAL CG2 . 10143 1 323 . 1 1 36 36 VAL HG21 H 1 0.833 0.030 . 1 . . . . 36 VAL HG2 . 10143 1 324 . 1 1 36 36 VAL HG22 H 1 0.833 0.030 . 1 . . . . 36 VAL HG2 . 10143 1 325 . 1 1 36 36 VAL HG23 H 1 0.833 0.030 . 1 . . . . 36 VAL HG2 . 10143 1 326 . 1 1 36 36 VAL C C 13 173.489 0.300 . 1 . . . . 36 VAL C . 10143 1 327 . 1 1 37 37 PRO CA C 13 62.200 0.300 . 1 . . . . 37 PRO CA . 10143 1 328 . 1 1 37 37 PRO HA H 1 4.646 0.030 . 1 . . . . 37 PRO HA . 10143 1 329 . 1 1 37 37 PRO CB C 13 31.876 0.300 . 1 . . . . 37 PRO CB . 10143 1 330 . 1 1 37 37 PRO HB3 H 1 2.197 0.030 . 2 . . . . 37 PRO HB3 . 10143 1 331 . 1 1 37 37 PRO CG C 13 27.866 0.300 . 1 . . . . 37 PRO CG . 10143 1 332 . 1 1 37 37 PRO HG3 H 1 2.149 0.030 . 2 . . . . 37 PRO HG3 . 10143 1 333 . 1 1 37 37 PRO CD C 13 50.435 0.300 . 1 . . . . 37 PRO CD . 10143 1 334 . 1 1 37 37 PRO HD3 H 1 3.557 0.030 . 2 . . . . 37 PRO HD3 . 10143 1 335 . 1 1 37 37 PRO C C 13 177.148 0.300 . 1 . . . . 37 PRO C . 10143 1 336 . 1 1 37 37 PRO HB2 H 1 1.858 0.030 . 2 . . . . 37 PRO HB2 . 10143 1 337 . 1 1 37 37 PRO HD2 H 1 3.820 0.030 . 2 . . . . 37 PRO HD2 . 10143 1 338 . 1 1 37 37 PRO HG2 H 1 1.946 0.030 . 2 . . . . 37 PRO HG2 . 10143 1 339 . 1 1 38 38 ALA N N 15 124.330 0.300 . 1 . . . . 38 ALA N . 10143 1 340 . 1 1 38 38 ALA H H 1 8.591 0.030 . 1 . . . . 38 ALA H . 10143 1 341 . 1 1 38 38 ALA CA C 13 52.606 0.300 . 1 . . . . 38 ALA CA . 10143 1 342 . 1 1 38 38 ALA HA H 1 4.189 0.030 . 1 . . . . 38 ALA HA . 10143 1 343 . 1 1 38 38 ALA CB C 13 18.928 0.300 . 1 . . . . 38 ALA CB . 10143 1 344 . 1 1 38 38 ALA HB1 H 1 1.163 0.030 . 1 . . . . 38 ALA HB . 10143 1 345 . 1 1 38 38 ALA HB2 H 1 1.163 0.030 . 1 . . . . 38 ALA HB . 10143 1 346 . 1 1 38 38 ALA HB3 H 1 1.163 0.030 . 1 . . . . 38 ALA HB . 10143 1 347 . 1 1 38 38 ALA C C 13 178.418 0.300 . 1 . . . . 38 ALA C . 10143 1 348 . 1 1 39 39 SER N N 15 109.435 0.300 . 1 . . . . 39 SER N . 10143 1 349 . 1 1 39 39 SER H H 1 8.687 0.030 . 1 . . . . 39 SER H . 10143 1 350 . 1 1 39 39 SER CA C 13 61.147 0.300 . 1 . . . . 39 SER CA . 10143 1 351 . 1 1 39 39 SER HA H 1 3.770 0.030 . 1 . . . . 39 SER HA . 10143 1 352 . 1 1 39 39 SER CB C 13 62.322 0.300 . 1 . . . . 39 SER CB . 10143 1 353 . 1 1 39 39 SER HB3 H 1 4.007 0.030 . 2 . . . . 39 SER HB3 . 10143 1 354 . 1 1 39 39 SER C C 13 172.372 0.300 . 1 . . . . 39 SER C . 10143 1 355 . 1 1 39 39 SER HB2 H 1 4.138 0.030 . 2 . . . . 39 SER HB2 . 10143 1 356 . 1 1 40 40 LEU N N 15 121.668 0.300 . 1 . . . . 40 LEU N . 10143 1 357 . 1 1 40 40 LEU H H 1 6.981 0.030 . 1 . . . . 40 LEU H . 10143 1 358 . 1 1 40 40 LEU CA C 13 51.707 0.300 . 1 . . . . 40 LEU CA . 10143 1 359 . 1 1 40 40 LEU HA H 1 4.890 0.030 . 1 . . . . 40 LEU HA . 10143 1 360 . 1 1 40 40 LEU CB C 13 43.441 0.300 . 1 . . . . 40 LEU CB . 10143 1 361 . 1 1 40 40 LEU HB3 H 1 1.506 0.030 . 2 . . . . 40 LEU HB3 . 10143 1 362 . 1 1 40 40 LEU CG C 13 26.886 0.300 . 1 . . . . 40 LEU CG . 10143 1 363 . 1 1 40 40 LEU HG H 1 1.551 0.030 . 1 . . . . 40 LEU HG . 10143 1 364 . 1 1 40 40 LEU CD1 C 13 25.387 0.300 . 2 . . . . 40 LEU CD1 . 10143 1 365 . 1 1 40 40 LEU HD11 H 1 0.880 0.030 . 1 . . . . 40 LEU HD1 . 10143 1 366 . 1 1 40 40 LEU HD12 H 1 0.880 0.030 . 1 . . . . 40 LEU HD1 . 10143 1 367 . 1 1 40 40 LEU HD13 H 1 0.880 0.030 . 1 . . . . 40 LEU HD1 . 10143 1 368 . 1 1 40 40 LEU CD2 C 13 23.298 0.300 . 2 . . . . 40 LEU CD2 . 10143 1 369 . 1 1 40 40 LEU HD21 H 1 0.908 0.030 . 1 . . . . 40 LEU HD2 . 10143 1 370 . 1 1 40 40 LEU HD22 H 1 0.908 0.030 . 1 . . . . 40 LEU HD2 . 10143 1 371 . 1 1 40 40 LEU HD23 H 1 0.908 0.030 . 1 . . . . 40 LEU HD2 . 10143 1 372 . 1 1 40 40 LEU C C 13 173.635 0.300 . 1 . . . . 40 LEU C . 10143 1 373 . 1 1 40 40 LEU HB2 H 1 1.433 0.030 . 2 . . . . 40 LEU HB2 . 10143 1 374 . 1 1 41 41 PRO CA C 13 62.683 0.300 . 1 . . . . 41 PRO CA . 10143 1 375 . 1 1 41 41 PRO HA H 1 4.490 0.030 . 1 . . . . 41 PRO HA . 10143 1 376 . 1 1 41 41 PRO CB C 13 31.415 0.300 . 1 . . . . 41 PRO CB . 10143 1 377 . 1 1 41 41 PRO HB3 H 1 1.898 0.030 . 2 . . . . 41 PRO HB3 . 10143 1 378 . 1 1 41 41 PRO CG C 13 27.535 0.300 . 1 . . . . 41 PRO CG . 10143 1 379 . 1 1 41 41 PRO HG3 H 1 1.874 0.030 . 2 . . . . 41 PRO HG3 . 10143 1 380 . 1 1 41 41 PRO CD C 13 50.081 0.300 . 1 . . . . 41 PRO CD . 10143 1 381 . 1 1 41 41 PRO HD3 H 1 3.740 0.030 . 2 . . . . 41 PRO HD3 . 10143 1 382 . 1 1 41 41 PRO C C 13 175.540 0.300 . 1 . . . . 41 PRO C . 10143 1 383 . 1 1 41 41 PRO HB2 H 1 1.795 0.030 . 2 . . . . 41 PRO HB2 . 10143 1 384 . 1 1 41 41 PRO HD2 H 1 3.598 0.030 . 2 . . . . 41 PRO HD2 . 10143 1 385 . 1 1 41 41 PRO HG2 H 1 2.059 0.030 . 2 . . . . 41 PRO HG2 . 10143 1 386 . 1 1 42 42 VAL N N 15 124.505 0.300 . 1 . . . . 42 VAL N . 10143 1 387 . 1 1 42 42 VAL H H 1 8.917 0.030 . 1 . . . . 42 VAL H . 10143 1 388 . 1 1 42 42 VAL CA C 13 60.282 0.300 . 1 . . . . 42 VAL CA . 10143 1 389 . 1 1 42 42 VAL HA H 1 4.408 0.030 . 1 . . . . 42 VAL HA . 10143 1 390 . 1 1 42 42 VAL CB C 13 34.522 0.300 . 1 . . . . 42 VAL CB . 10143 1 391 . 1 1 42 42 VAL HB H 1 1.944 0.030 . 1 . . . . 42 VAL HB . 10143 1 392 . 1 1 42 42 VAL CG1 C 13 18.900 0.300 . 2 . . . . 42 VAL CG1 . 10143 1 393 . 1 1 42 42 VAL HG11 H 1 0.281 0.030 . 1 . . . . 42 VAL HG1 . 10143 1 394 . 1 1 42 42 VAL HG12 H 1 0.281 0.030 . 1 . . . . 42 VAL HG1 . 10143 1 395 . 1 1 42 42 VAL HG13 H 1 0.281 0.030 . 1 . . . . 42 VAL HG1 . 10143 1 396 . 1 1 42 42 VAL CG2 C 13 21.771 0.300 . 2 . . . . 42 VAL CG2 . 10143 1 397 . 1 1 42 42 VAL HG21 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 10143 1 398 . 1 1 42 42 VAL HG22 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 10143 1 399 . 1 1 42 42 VAL HG23 H 1 0.864 0.030 . 1 . . . . 42 VAL HG2 . 10143 1 400 . 1 1 42 42 VAL C C 13 171.180 0.300 . 1 . . . . 42 VAL C . 10143 1 401 . 1 1 43 43 ASP N N 15 121.538 0.300 . 1 . . . . 43 ASP N . 10143 1 402 . 1 1 43 43 ASP H H 1 7.549 0.030 . 1 . . . . 43 ASP H . 10143 1 403 . 1 1 43 43 ASP CA C 13 51.968 0.300 . 1 . . . . 43 ASP CA . 10143 1 404 . 1 1 43 43 ASP HA H 1 6.324 0.030 . 1 . . . . 43 ASP HA . 10143 1 405 . 1 1 43 43 ASP CB C 13 44.949 0.300 . 1 . . . . 43 ASP CB . 10143 1 406 . 1 1 43 43 ASP HB3 H 1 2.614 0.030 . 2 . . . . 43 ASP HB3 . 10143 1 407 . 1 1 43 43 ASP C C 13 177.711 0.300 . 1 . . . . 43 ASP C . 10143 1 408 . 1 1 43 43 ASP HB2 H 1 2.535 0.030 . 2 . . . . 43 ASP HB2 . 10143 1 409 . 1 1 44 44 PHE N N 15 112.517 0.300 . 1 . . . . 44 PHE N . 10143 1 410 . 1 1 44 44 PHE H H 1 9.044 0.030 . 1 . . . . 44 PHE H . 10143 1 411 . 1 1 44 44 PHE CA C 13 57.658 0.300 . 1 . . . . 44 PHE CA . 10143 1 412 . 1 1 44 44 PHE HA H 1 5.069 0.030 . 1 . . . . 44 PHE HA . 10143 1 413 . 1 1 44 44 PHE CB C 13 41.220 0.300 . 1 . . . . 44 PHE CB . 10143 1 414 . 1 1 44 44 PHE HB3 H 1 2.624 0.030 . 2 . . . . 44 PHE HB3 . 10143 1 415 . 1 1 44 44 PHE CD1 C 13 132.687 0.300 . 1 . . . . 44 PHE CD1 . 10143 1 416 . 1 1 44 44 PHE HD1 H 1 6.858 0.030 . 1 . . . . 44 PHE HD1 . 10143 1 417 . 1 1 44 44 PHE CD2 C 13 132.687 0.300 . 1 . . . . 44 PHE CD2 . 10143 1 418 . 1 1 44 44 PHE HD2 H 1 6.858 0.030 . 1 . . . . 44 PHE HD2 . 10143 1 419 . 1 1 44 44 PHE CE1 C 13 130.106 0.300 . 1 . . . . 44 PHE CE1 . 10143 1 420 . 1 1 44 44 PHE HE1 H 1 6.873 0.030 . 1 . . . . 44 PHE HE1 . 10143 1 421 . 1 1 44 44 PHE CE2 C 13 130.106 0.300 . 1 . . . . 44 PHE CE2 . 10143 1 422 . 1 1 44 44 PHE HE2 H 1 6.873 0.030 . 1 . . . . 44 PHE HE2 . 10143 1 423 . 1 1 44 44 PHE CZ C 13 128.661 0.300 . 1 . . . . 44 PHE CZ . 10143 1 424 . 1 1 44 44 PHE HZ H 1 6.711 0.030 . 1 . . . . 44 PHE HZ . 10143 1 425 . 1 1 44 44 PHE C C 13 171.679 0.300 . 1 . . . . 44 PHE C . 10143 1 426 . 1 1 44 44 PHE HB2 H 1 3.112 0.030 . 2 . . . . 44 PHE HB2 . 10143 1 427 . 1 1 45 45 ALA N N 15 123.935 0.300 . 1 . . . . 45 ALA N . 10143 1 428 . 1 1 45 45 ALA H H 1 9.468 0.030 . 1 . . . . 45 ALA H . 10143 1 429 . 1 1 45 45 ALA CA C 13 50.855 0.300 . 1 . . . . 45 ALA CA . 10143 1 430 . 1 1 45 45 ALA HA H 1 5.379 0.030 . 1 . . . . 45 ALA HA . 10143 1 431 . 1 1 45 45 ALA CB C 13 22.496 0.300 . 1 . . . . 45 ALA CB . 10143 1 432 . 1 1 45 45 ALA HB1 H 1 1.519 0.030 . 1 . . . . 45 ALA HB . 10143 1 433 . 1 1 45 45 ALA HB2 H 1 1.519 0.030 . 1 . . . . 45 ALA HB . 10143 1 434 . 1 1 45 45 ALA HB3 H 1 1.519 0.030 . 1 . . . . 45 ALA HB . 10143 1 435 . 1 1 45 45 ALA C C 13 176.715 0.300 . 1 . . . . 45 ALA C . 10143 1 436 . 1 1 46 46 ILE N N 15 119.530 0.300 . 1 . . . . 46 ILE N . 10143 1 437 . 1 1 46 46 ILE H H 1 8.686 0.030 . 1 . . . . 46 ILE H . 10143 1 438 . 1 1 46 46 ILE CA C 13 59.561 0.300 . 1 . . . . 46 ILE CA . 10143 1 439 . 1 1 46 46 ILE HA H 1 4.863 0.030 . 1 . . . . 46 ILE HA . 10143 1 440 . 1 1 46 46 ILE CB C 13 41.370 0.300 . 1 . . . . 46 ILE CB . 10143 1 441 . 1 1 46 46 ILE HB H 1 1.750 0.030 . 1 . . . . 46 ILE HB . 10143 1 442 . 1 1 46 46 ILE CG1 C 13 27.340 0.300 . 1 . . . . 46 ILE CG1 . 10143 1 443 . 1 1 46 46 ILE HG13 H 1 1.161 0.030 . 2 . . . . 46 ILE HG13 . 10143 1 444 . 1 1 46 46 ILE CG2 C 13 18.066 0.300 . 1 . . . . 46 ILE CG2 . 10143 1 445 . 1 1 46 46 ILE HG21 H 1 0.811 0.030 . 1 . . . . 46 ILE HG2 . 10143 1 446 . 1 1 46 46 ILE HG22 H 1 0.811 0.030 . 1 . . . . 46 ILE HG2 . 10143 1 447 . 1 1 46 46 ILE HG23 H 1 0.811 0.030 . 1 . . . . 46 ILE HG2 . 10143 1 448 . 1 1 46 46 ILE CD1 C 13 15.390 0.300 . 1 . . . . 46 ILE CD1 . 10143 1 449 . 1 1 46 46 ILE HD11 H 1 0.850 0.030 . 1 . . . . 46 ILE HD1 . 10143 1 450 . 1 1 46 46 ILE HD12 H 1 0.850 0.030 . 1 . . . . 46 ILE HD1 . 10143 1 451 . 1 1 46 46 ILE HD13 H 1 0.850 0.030 . 1 . . . . 46 ILE HD1 . 10143 1 452 . 1 1 46 46 ILE C C 13 174.379 0.300 . 1 . . . . 46 ILE C . 10143 1 453 . 1 1 46 46 ILE HG12 H 1 1.541 0.030 . 2 . . . . 46 ILE HG12 . 10143 1 454 . 1 1 47 47 ASP N N 15 127.143 0.300 . 1 . . . . 47 ASP N . 10143 1 455 . 1 1 47 47 ASP H H 1 9.281 0.030 . 1 . . . . 47 ASP H . 10143 1 456 . 1 1 47 47 ASP CA C 13 53.297 0.300 . 1 . . . . 47 ASP CA . 10143 1 457 . 1 1 47 47 ASP HA H 1 4.976 0.030 . 1 . . . . 47 ASP HA . 10143 1 458 . 1 1 47 47 ASP CB C 13 41.371 0.300 . 1 . . . . 47 ASP CB . 10143 1 459 . 1 1 47 47 ASP HB3 H 1 2.461 0.030 . 2 . . . . 47 ASP HB3 . 10143 1 460 . 1 1 47 47 ASP C C 13 174.962 0.300 . 1 . . . . 47 ASP C . 10143 1 461 . 1 1 47 47 ASP HB2 H 1 3.350 0.030 . 2 . . . . 47 ASP HB2 . 10143 1 462 . 1 1 48 48 ALA N N 15 129.371 0.300 . 1 . . . . 48 ALA N . 10143 1 463 . 1 1 48 48 ALA H H 1 9.078 0.030 . 1 . . . . 48 ALA H . 10143 1 464 . 1 1 48 48 ALA CA C 13 50.554 0.300 . 1 . . . . 48 ALA CA . 10143 1 465 . 1 1 48 48 ALA HA H 1 4.641 0.030 . 1 . . . . 48 ALA HA . 10143 1 466 . 1 1 48 48 ALA CB C 13 19.699 0.300 . 1 . . . . 48 ALA CB . 10143 1 467 . 1 1 48 48 ALA HB1 H 1 1.220 0.030 . 1 . . . . 48 ALA HB . 10143 1 468 . 1 1 48 48 ALA HB2 H 1 1.220 0.030 . 1 . . . . 48 ALA HB . 10143 1 469 . 1 1 48 48 ALA HB3 H 1 1.220 0.030 . 1 . . . . 48 ALA HB . 10143 1 470 . 1 1 48 48 ALA C C 13 179.317 0.300 . 1 . . . . 48 ALA C . 10143 1 471 . 1 1 49 49 ARG N N 15 122.060 0.300 . 1 . . . . 49 ARG N . 10143 1 472 . 1 1 49 49 ARG H H 1 8.590 0.030 . 1 . . . . 49 ARG H . 10143 1 473 . 1 1 49 49 ARG CA C 13 60.964 0.300 . 1 . . . . 49 ARG CA . 10143 1 474 . 1 1 49 49 ARG HA H 1 3.987 0.030 . 1 . . . . 49 ARG HA . 10143 1 475 . 1 1 49 49 ARG CB C 13 30.654 0.300 . 1 . . . . 49 ARG CB . 10143 1 476 . 1 1 49 49 ARG HB3 H 1 2.037 0.030 . 2 . . . . 49 ARG HB3 . 10143 1 477 . 1 1 49 49 ARG CG C 13 28.033 0.300 . 1 . . . . 49 ARG CG . 10143 1 478 . 1 1 49 49 ARG HG3 H 1 2.226 0.030 . 2 . . . . 49 ARG HG3 . 10143 1 479 . 1 1 49 49 ARG CD C 13 43.873 0.300 . 1 . . . . 49 ARG CD . 10143 1 480 . 1 1 49 49 ARG HD3 H 1 3.258 0.030 . 2 . . . . 49 ARG HD3 . 10143 1 481 . 1 1 49 49 ARG NE N 15 84.672 0.300 . 1 . . . . 49 ARG NE . 10143 1 482 . 1 1 49 49 ARG HE H 1 7.814 0.030 . 1 . . . . 49 ARG HE . 10143 1 483 . 1 1 49 49 ARG C C 13 178.077 0.300 . 1 . . . . 49 ARG C . 10143 1 484 . 1 1 49 49 ARG HB2 H 1 1.866 0.030 . 2 . . . . 49 ARG HB2 . 10143 1 485 . 1 1 49 49 ARG HD2 H 1 3.173 0.030 . 2 . . . . 49 ARG HD2 . 10143 1 486 . 1 1 49 49 ARG HG2 H 1 1.788 0.030 . 2 . . . . 49 ARG HG2 . 10143 1 487 . 1 1 50 50 ASP N N 15 116.664 0.300 . 1 . . . . 50 ASP N . 10143 1 488 . 1 1 50 50 ASP H H 1 8.794 0.030 . 1 . . . . 50 ASP H . 10143 1 489 . 1 1 50 50 ASP CA C 13 53.827 0.300 . 1 . . . . 50 ASP CA . 10143 1 490 . 1 1 50 50 ASP HA H 1 5.040 0.030 . 1 . . . . 50 ASP HA . 10143 1 491 . 1 1 50 50 ASP CB C 13 41.595 0.300 . 1 . . . . 50 ASP CB . 10143 1 492 . 1 1 50 50 ASP HB3 H 1 2.404 0.030 . 2 . . . . 50 ASP HB3 . 10143 1 493 . 1 1 50 50 ASP C C 13 175.754 0.300 . 1 . . . . 50 ASP C . 10143 1 494 . 1 1 50 50 ASP HB2 H 1 2.884 0.030 . 2 . . . . 50 ASP HB2 . 10143 1 495 . 1 1 51 51 ALA N N 15 121.173 0.300 . 1 . . . . 51 ALA N . 10143 1 496 . 1 1 51 51 ALA H H 1 7.406 0.030 . 1 . . . . 51 ALA H . 10143 1 497 . 1 1 51 51 ALA CA C 13 52.147 0.300 . 1 . . . . 51 ALA CA . 10143 1 498 . 1 1 51 51 ALA HA H 1 4.414 0.030 . 1 . . . . 51 ALA HA . 10143 1 499 . 1 1 51 51 ALA CB C 13 23.427 0.300 . 1 . . . . 51 ALA CB . 10143 1 500 . 1 1 51 51 ALA HB1 H 1 1.116 0.030 . 1 . . . . 51 ALA HB . 10143 1 501 . 1 1 51 51 ALA HB2 H 1 1.116 0.030 . 1 . . . . 51 ALA HB . 10143 1 502 . 1 1 51 51 ALA HB3 H 1 1.116 0.030 . 1 . . . . 51 ALA HB . 10143 1 503 . 1 1 51 51 ALA C C 13 176.763 0.300 . 1 . . . . 51 ALA C . 10143 1 504 . 1 1 52 52 GLY N N 15 108.187 0.300 . 1 . . . . 52 GLY N . 10143 1 505 . 1 1 52 52 GLY H H 1 8.521 0.030 . 1 . . . . 52 GLY H . 10143 1 506 . 1 1 52 52 GLY CA C 13 45.210 0.300 . 1 . . . . 52 GLY CA . 10143 1 507 . 1 1 52 52 GLY HA3 H 1 3.859 0.030 . 2 . . . . 52 GLY HA3 . 10143 1 508 . 1 1 52 52 GLY C C 13 175.060 0.300 . 1 . . . . 52 GLY C . 10143 1 509 . 1 1 52 52 GLY HA2 H 1 4.492 0.030 . 2 . . . . 52 GLY HA2 . 10143 1 510 . 1 1 53 53 GLU N N 15 124.810 0.300 . 1 . . . . 53 GLU N . 10143 1 511 . 1 1 53 53 GLU H H 1 8.643 0.030 . 1 . . . . 53 GLU H . 10143 1 512 . 1 1 53 53 GLU CA C 13 56.352 0.300 . 1 . . . . 53 GLU CA . 10143 1 513 . 1 1 53 53 GLU HA H 1 4.663 0.030 . 1 . . . . 53 GLU HA . 10143 1 514 . 1 1 53 53 GLU CB C 13 31.164 0.300 . 1 . . . . 53 GLU CB . 10143 1 515 . 1 1 53 53 GLU HB3 H 1 1.964 0.030 . 1 . . . . 53 GLU HB3 . 10143 1 516 . 1 1 53 53 GLU CG C 13 36.021 0.300 . 1 . . . . 53 GLU CG . 10143 1 517 . 1 1 53 53 GLU HG3 H 1 2.143 0.030 . 2 . . . . 53 GLU HG3 . 10143 1 518 . 1 1 53 53 GLU C C 13 173.491 0.300 . 1 . . . . 53 GLU C . 10143 1 519 . 1 1 53 53 GLU HB2 H 1 1.964 0.030 . 1 . . . . 53 GLU HB2 . 10143 1 520 . 1 1 53 53 GLU HG2 H 1 2.232 0.030 . 2 . . . . 53 GLU HG2 . 10143 1 521 . 1 1 54 54 GLY N N 15 111.417 0.300 . 1 . . . . 54 GLY N . 10143 1 522 . 1 1 54 54 GLY H H 1 7.465 0.030 . 1 . . . . 54 GLY H . 10143 1 523 . 1 1 54 54 GLY CA C 13 43.622 0.300 . 1 . . . . 54 GLY CA . 10143 1 524 . 1 1 54 54 GLY HA3 H 1 2.287 0.030 . 2 . . . . 54 GLY HA3 . 10143 1 525 . 1 1 54 54 GLY C C 13 170.013 0.300 . 1 . . . . 54 GLY C . 10143 1 526 . 1 1 54 54 GLY HA2 H 1 3.819 0.030 . 2 . . . . 54 GLY HA2 . 10143 1 527 . 1 1 55 55 LEU N N 15 117.446 0.300 . 1 . . . . 55 LEU N . 10143 1 528 . 1 1 55 55 LEU H H 1 7.461 0.030 . 1 . . . . 55 LEU H . 10143 1 529 . 1 1 55 55 LEU CA C 13 54.041 0.300 . 1 . . . . 55 LEU CA . 10143 1 530 . 1 1 55 55 LEU HA H 1 4.293 0.030 . 1 . . . . 55 LEU HA . 10143 1 531 . 1 1 55 55 LEU CB C 13 42.832 0.300 . 1 . . . . 55 LEU CB . 10143 1 532 . 1 1 55 55 LEU HB3 H 1 1.280 0.030 . 1 . . . . 55 LEU HB3 . 10143 1 533 . 1 1 55 55 LEU CG C 13 26.797 0.300 . 1 . . . . 55 LEU CG . 10143 1 534 . 1 1 55 55 LEU HG H 1 1.298 0.030 . 1 . . . . 55 LEU HG . 10143 1 535 . 1 1 55 55 LEU CD1 C 13 24.171 0.300 . 2 . . . . 55 LEU CD1 . 10143 1 536 . 1 1 55 55 LEU HD11 H 1 0.835 0.030 . 1 . . . . 55 LEU HD1 . 10143 1 537 . 1 1 55 55 LEU HD12 H 1 0.835 0.030 . 1 . . . . 55 LEU HD1 . 10143 1 538 . 1 1 55 55 LEU HD13 H 1 0.835 0.030 . 1 . . . . 55 LEU HD1 . 10143 1 539 . 1 1 55 55 LEU CD2 C 13 24.421 0.300 . 2 . . . . 55 LEU CD2 . 10143 1 540 . 1 1 55 55 LEU HD21 H 1 0.761 0.030 . 1 . . . . 55 LEU HD2 . 10143 1 541 . 1 1 55 55 LEU HD22 H 1 0.761 0.030 . 1 . . . . 55 LEU HD2 . 10143 1 542 . 1 1 55 55 LEU HD23 H 1 0.761 0.030 . 1 . . . . 55 LEU HD2 . 10143 1 543 . 1 1 55 55 LEU C C 13 176.872 0.300 . 1 . . . . 55 LEU C . 10143 1 544 . 1 1 55 55 LEU HB2 H 1 1.280 0.030 . 1 . . . . 55 LEU HB2 . 10143 1 545 . 1 1 56 56 LEU N N 15 131.840 0.300 . 1 . . . . 56 LEU N . 10143 1 546 . 1 1 56 56 LEU H H 1 8.791 0.030 . 1 . . . . 56 LEU H . 10143 1 547 . 1 1 56 56 LEU CA C 13 53.807 0.300 . 1 . . . . 56 LEU CA . 10143 1 548 . 1 1 56 56 LEU HA H 1 5.053 0.030 . 1 . . . . 56 LEU HA . 10143 1 549 . 1 1 56 56 LEU CB C 13 43.113 0.300 . 1 . . . . 56 LEU CB . 10143 1 550 . 1 1 56 56 LEU HB3 H 1 1.001 0.030 . 2 . . . . 56 LEU HB3 . 10143 1 551 . 1 1 56 56 LEU CG C 13 26.943 0.300 . 1 . . . . 56 LEU CG . 10143 1 552 . 1 1 56 56 LEU HG H 1 1.018 0.030 . 1 . . . . 56 LEU HG . 10143 1 553 . 1 1 56 56 LEU CD1 C 13 23.745 0.300 . 2 . . . . 56 LEU CD1 . 10143 1 554 . 1 1 56 56 LEU HD11 H 1 0.679 0.030 . 1 . . . . 56 LEU HD1 . 10143 1 555 . 1 1 56 56 LEU HD12 H 1 0.679 0.030 . 1 . . . . 56 LEU HD1 . 10143 1 556 . 1 1 56 56 LEU HD13 H 1 0.679 0.030 . 1 . . . . 56 LEU HD1 . 10143 1 557 . 1 1 56 56 LEU CD2 C 13 24.580 0.300 . 2 . . . . 56 LEU CD2 . 10143 1 558 . 1 1 56 56 LEU HD21 H 1 0.109 0.030 . 1 . . . . 56 LEU HD2 . 10143 1 559 . 1 1 56 56 LEU HD22 H 1 0.109 0.030 . 1 . . . . 56 LEU HD2 . 10143 1 560 . 1 1 56 56 LEU HD23 H 1 0.109 0.030 . 1 . . . . 56 LEU HD2 . 10143 1 561 . 1 1 56 56 LEU C C 13 175.389 0.300 . 1 . . . . 56 LEU C . 10143 1 562 . 1 1 56 56 LEU HB2 H 1 1.461 0.030 . 2 . . . . 56 LEU HB2 . 10143 1 563 . 1 1 57 57 ALA N N 15 130.035 0.300 . 1 . . . . 57 ALA N . 10143 1 564 . 1 1 57 57 ALA H H 1 8.880 0.030 . 1 . . . . 57 ALA H . 10143 1 565 . 1 1 57 57 ALA CA C 13 51.758 0.300 . 1 . . . . 57 ALA CA . 10143 1 566 . 1 1 57 57 ALA HA H 1 4.641 0.030 . 1 . . . . 57 ALA HA . 10143 1 567 . 1 1 57 57 ALA CB C 13 21.820 0.300 . 1 . . . . 57 ALA CB . 10143 1 568 . 1 1 57 57 ALA HB1 H 1 1.175 0.030 . 1 . . . . 57 ALA HB . 10143 1 569 . 1 1 57 57 ALA HB2 H 1 1.175 0.030 . 1 . . . . 57 ALA HB . 10143 1 570 . 1 1 57 57 ALA HB3 H 1 1.175 0.030 . 1 . . . . 57 ALA HB . 10143 1 571 . 1 1 57 57 ALA C C 13 174.647 0.300 . 1 . . . . 57 ALA C . 10143 1 572 . 1 1 58 58 VAL N N 15 120.958 0.300 . 1 . . . . 58 VAL N . 10143 1 573 . 1 1 58 58 VAL H H 1 8.443 0.030 . 1 . . . . 58 VAL H . 10143 1 574 . 1 1 58 58 VAL CA C 13 60.495 0.300 . 1 . . . . 58 VAL CA . 10143 1 575 . 1 1 58 58 VAL HA H 1 4.988 0.030 . 1 . . . . 58 VAL HA . 10143 1 576 . 1 1 58 58 VAL CB C 13 34.639 0.300 . 1 . . . . 58 VAL CB . 10143 1 577 . 1 1 58 58 VAL HB H 1 1.706 0.030 . 1 . . . . 58 VAL HB . 10143 1 578 . 1 1 58 58 VAL CG1 C 13 21.353 0.300 . 1 . . . . 58 VAL CG1 . 10143 1 579 . 1 1 58 58 VAL HG11 H 1 0.812 0.030 . 1 . . . . 58 VAL HG1 . 10143 1 580 . 1 1 58 58 VAL HG12 H 1 0.812 0.030 . 1 . . . . 58 VAL HG1 . 10143 1 581 . 1 1 58 58 VAL HG13 H 1 0.812 0.030 . 1 . . . . 58 VAL HG1 . 10143 1 582 . 1 1 58 58 VAL CG2 C 13 21.353 0.300 . 1 . . . . 58 VAL CG2 . 10143 1 583 . 1 1 58 58 VAL HG21 H 1 0.812 0.030 . 1 . . . . 58 VAL HG2 . 10143 1 584 . 1 1 58 58 VAL HG22 H 1 0.812 0.030 . 1 . . . . 58 VAL HG2 . 10143 1 585 . 1 1 58 58 VAL HG23 H 1 0.812 0.030 . 1 . . . . 58 VAL HG2 . 10143 1 586 . 1 1 58 58 VAL C C 13 174.646 0.300 . 1 . . . . 58 VAL C . 10143 1 587 . 1 1 59 59 GLN N N 15 127.048 0.300 . 1 . . . . 59 GLN N . 10143 1 588 . 1 1 59 59 GLN H H 1 9.196 0.030 . 1 . . . . 59 GLN H . 10143 1 589 . 1 1 59 59 GLN CA C 13 54.587 0.300 . 1 . . . . 59 GLN CA . 10143 1 590 . 1 1 59 59 GLN HA H 1 4.706 0.030 . 1 . . . . 59 GLN HA . 10143 1 591 . 1 1 59 59 GLN CB C 13 31.580 0.300 . 1 . . . . 59 GLN CB . 10143 1 592 . 1 1 59 59 GLN HB3 H 1 1.991 0.030 . 2 . . . . 59 GLN HB3 . 10143 1 593 . 1 1 59 59 GLN CG C 13 33.770 0.300 . 1 . . . . 59 GLN CG . 10143 1 594 . 1 1 59 59 GLN HG3 H 1 2.231 0.030 . 1 . . . . 59 GLN HG3 . 10143 1 595 . 1 1 59 59 GLN NE2 N 15 111.120 0.300 . 1 . . . . 59 GLN NE2 . 10143 1 596 . 1 1 59 59 GLN HE21 H 1 6.674 0.030 . 2 . . . . 59 GLN HE21 . 10143 1 597 . 1 1 59 59 GLN HE22 H 1 7.328 0.030 . 2 . . . . 59 GLN HE22 . 10143 1 598 . 1 1 59 59 GLN C C 13 174.197 0.300 . 1 . . . . 59 GLN C . 10143 1 599 . 1 1 59 59 GLN HB2 H 1 1.905 0.030 . 2 . . . . 59 GLN HB2 . 10143 1 600 . 1 1 59 59 GLN HG2 H 1 2.231 0.030 . 1 . . . . 59 GLN HG2 . 10143 1 601 . 1 1 60 60 ILE N N 15 127.617 0.300 . 1 . . . . 60 ILE N . 10143 1 602 . 1 1 60 60 ILE H H 1 9.299 0.030 . 1 . . . . 60 ILE H . 10143 1 603 . 1 1 60 60 ILE CA C 13 60.506 0.300 . 1 . . . . 60 ILE CA . 10143 1 604 . 1 1 60 60 ILE HA H 1 5.210 0.030 . 1 . . . . 60 ILE HA . 10143 1 605 . 1 1 60 60 ILE CB C 13 39.172 0.300 . 1 . . . . 60 ILE CB . 10143 1 606 . 1 1 60 60 ILE HB H 1 1.797 0.030 . 1 . . . . 60 ILE HB . 10143 1 607 . 1 1 60 60 ILE CG1 C 13 27.289 0.300 . 1 . . . . 60 ILE CG1 . 10143 1 608 . 1 1 60 60 ILE HG13 H 1 1.392 0.030 . 2 . . . . 60 ILE HG13 . 10143 1 609 . 1 1 60 60 ILE CG2 C 13 16.708 0.300 . 1 . . . . 60 ILE CG2 . 10143 1 610 . 1 1 60 60 ILE HG21 H 1 0.517 0.030 . 1 . . . . 60 ILE HG2 . 10143 1 611 . 1 1 60 60 ILE HG22 H 1 0.517 0.030 . 1 . . . . 60 ILE HG2 . 10143 1 612 . 1 1 60 60 ILE HG23 H 1 0.517 0.030 . 1 . . . . 60 ILE HG2 . 10143 1 613 . 1 1 60 60 ILE CD1 C 13 13.815 0.300 . 1 . . . . 60 ILE CD1 . 10143 1 614 . 1 1 60 60 ILE HD11 H 1 0.175 0.030 . 1 . . . . 60 ILE HD1 . 10143 1 615 . 1 1 60 60 ILE HD12 H 1 0.175 0.030 . 1 . . . . 60 ILE HD1 . 10143 1 616 . 1 1 60 60 ILE HD13 H 1 0.175 0.030 . 1 . . . . 60 ILE HD1 . 10143 1 617 . 1 1 60 60 ILE C C 13 175.608 0.300 . 1 . . . . 60 ILE C . 10143 1 618 . 1 1 60 60 ILE HG12 H 1 0.744 0.030 . 2 . . . . 60 ILE HG12 . 10143 1 619 . 1 1 61 61 THR N N 15 119.733 0.300 . 1 . . . . 61 THR N . 10143 1 620 . 1 1 61 61 THR H H 1 8.924 0.030 . 1 . . . . 61 THR H . 10143 1 621 . 1 1 61 61 THR CA C 13 59.565 0.300 . 1 . . . . 61 THR CA . 10143 1 622 . 1 1 61 61 THR HA H 1 5.173 0.030 . 1 . . . . 61 THR HA . 10143 1 623 . 1 1 61 61 THR CB C 13 72.121 0.300 . 1 . . . . 61 THR CB . 10143 1 624 . 1 1 61 61 THR HB H 1 3.841 0.030 . 1 . . . . 61 THR HB . 10143 1 625 . 1 1 61 61 THR CG2 C 13 21.982 0.300 . 1 . . . . 61 THR CG2 . 10143 1 626 . 1 1 61 61 THR HG21 H 1 1.055 0.030 . 1 . . . . 61 THR HG2 . 10143 1 627 . 1 1 61 61 THR HG22 H 1 1.055 0.030 . 1 . . . . 61 THR HG2 . 10143 1 628 . 1 1 61 61 THR HG23 H 1 1.055 0.030 . 1 . . . . 61 THR HG2 . 10143 1 629 . 1 1 61 61 THR C C 13 174.051 0.300 . 1 . . . . 61 THR C . 10143 1 630 . 1 1 62 62 ASP N N 15 122.337 0.300 . 1 . . . . 62 ASP N . 10143 1 631 . 1 1 62 62 ASP H H 1 8.484 0.030 . 1 . . . . 62 ASP H . 10143 1 632 . 1 1 62 62 ASP CA C 13 52.200 0.300 . 1 . . . . 62 ASP CA . 10143 1 633 . 1 1 62 62 ASP HA H 1 4.425 0.030 . 1 . . . . 62 ASP HA . 10143 1 634 . 1 1 62 62 ASP CB C 13 42.222 0.300 . 1 . . . . 62 ASP CB . 10143 1 635 . 1 1 62 62 ASP HB3 H 1 2.366 0.030 . 2 . . . . 62 ASP HB3 . 10143 1 636 . 1 1 62 62 ASP C C 13 179.086 0.300 . 1 . . . . 62 ASP C . 10143 1 637 . 1 1 62 62 ASP HB2 H 1 3.149 0.030 . 2 . . . . 62 ASP HB2 . 10143 1 638 . 1 1 63 63 GLN N N 15 118.341 0.300 . 1 . . . . 63 GLN N . 10143 1 639 . 1 1 63 63 GLN H H 1 8.250 0.030 . 1 . . . . 63 GLN H . 10143 1 640 . 1 1 63 63 GLN CA C 13 58.406 0.300 . 1 . . . . 63 GLN CA . 10143 1 641 . 1 1 63 63 GLN HA H 1 4.049 0.030 . 1 . . . . 63 GLN HA . 10143 1 642 . 1 1 63 63 GLN CB C 13 28.127 0.300 . 1 . . . . 63 GLN CB . 10143 1 643 . 1 1 63 63 GLN HB3 H 1 2.264 0.030 . 2 . . . . 63 GLN HB3 . 10143 1 644 . 1 1 63 63 GLN CG C 13 33.365 0.300 . 1 . . . . 63 GLN CG . 10143 1 645 . 1 1 63 63 GLN HG3 H 1 2.469 0.030 . 2 . . . . 63 GLN HG3 . 10143 1 646 . 1 1 63 63 GLN NE2 N 15 112.388 0.300 . 1 . . . . 63 GLN NE2 . 10143 1 647 . 1 1 63 63 GLN HE21 H 1 6.905 0.030 . 2 . . . . 63 GLN HE21 . 10143 1 648 . 1 1 63 63 GLN HE22 H 1 7.683 0.030 . 2 . . . . 63 GLN HE22 . 10143 1 649 . 1 1 63 63 GLN C C 13 177.152 0.300 . 1 . . . . 63 GLN C . 10143 1 650 . 1 1 63 63 GLN HB2 H 1 2.160 0.030 . 2 . . . . 63 GLN HB2 . 10143 1 651 . 1 1 63 63 GLN HG2 H 1 2.378 0.030 . 2 . . . . 63 GLN HG2 . 10143 1 652 . 1 1 64 64 GLU N N 15 119.134 0.300 . 1 . . . . 64 GLU N . 10143 1 653 . 1 1 64 64 GLU H H 1 8.120 0.030 . 1 . . . . 64 GLU H . 10143 1 654 . 1 1 64 64 GLU CA C 13 55.790 0.300 . 1 . . . . 64 GLU CA . 10143 1 655 . 1 1 64 64 GLU HA H 1 4.423 0.030 . 1 . . . . 64 GLU HA . 10143 1 656 . 1 1 64 64 GLU CB C 13 30.102 0.300 . 1 . . . . 64 GLU CB . 10143 1 657 . 1 1 64 64 GLU HB3 H 1 2.045 0.030 . 2 . . . . 64 GLU HB3 . 10143 1 658 . 1 1 64 64 GLU CG C 13 37.131 0.300 . 1 . . . . 64 GLU CG . 10143 1 659 . 1 1 64 64 GLU HG3 H 1 2.241 0.030 . 1 . . . . 64 GLU HG3 . 10143 1 660 . 1 1 64 64 GLU C C 13 176.374 0.300 . 1 . . . . 64 GLU C . 10143 1 661 . 1 1 64 64 GLU HB2 H 1 2.268 0.030 . 2 . . . . 64 GLU HB2 . 10143 1 662 . 1 1 64 64 GLU HG2 H 1 2.241 0.030 . 1 . . . . 64 GLU HG2 . 10143 1 663 . 1 1 65 65 GLY N N 15 108.728 0.300 . 1 . . . . 65 GLY N . 10143 1 664 . 1 1 65 65 GLY H H 1 8.306 0.030 . 1 . . . . 65 GLY H . 10143 1 665 . 1 1 65 65 GLY CA C 13 45.285 0.300 . 1 . . . . 65 GLY CA . 10143 1 666 . 1 1 65 65 GLY HA3 H 1 3.561 0.030 . 2 . . . . 65 GLY HA3 . 10143 1 667 . 1 1 65 65 GLY C C 13 174.342 0.300 . 1 . . . . 65 GLY C . 10143 1 668 . 1 1 65 65 GLY HA2 H 1 4.203 0.030 . 2 . . . . 65 GLY HA2 . 10143 1 669 . 1 1 66 66 LYS N N 15 123.502 0.300 . 1 . . . . 66 LYS N . 10143 1 670 . 1 1 66 66 LYS H H 1 8.528 0.030 . 1 . . . . 66 LYS H . 10143 1 671 . 1 1 66 66 LYS CA C 13 53.738 0.300 . 1 . . . . 66 LYS CA . 10143 1 672 . 1 1 66 66 LYS HA H 1 4.613 0.030 . 1 . . . . 66 LYS HA . 10143 1 673 . 1 1 66 66 LYS CB C 13 31.167 0.300 . 1 . . . . 66 LYS CB . 10143 1 674 . 1 1 66 66 LYS HB3 H 1 1.799 0.030 . 2 . . . . 66 LYS HB3 . 10143 1 675 . 1 1 66 66 LYS CG C 13 25.105 0.300 . 1 . . . . 66 LYS CG . 10143 1 676 . 1 1 66 66 LYS HG3 H 1 1.477 0.030 . 2 . . . . 66 LYS HG3 . 10143 1 677 . 1 1 66 66 LYS CD C 13 28.866 0.300 . 1 . . . . 66 LYS CD . 10143 1 678 . 1 1 66 66 LYS HD3 H 1 1.692 0.030 . 1 . . . . 66 LYS HD3 . 10143 1 679 . 1 1 66 66 LYS CE C 13 42.212 0.300 . 1 . . . . 66 LYS CE . 10143 1 680 . 1 1 66 66 LYS HE3 H 1 2.998 0.030 . 1 . . . . 66 LYS HE3 . 10143 1 681 . 1 1 66 66 LYS C C 13 174.752 0.300 . 1 . . . . 66 LYS C . 10143 1 682 . 1 1 66 66 LYS HB2 H 1 2.100 0.030 . 2 . . . . 66 LYS HB2 . 10143 1 683 . 1 1 66 66 LYS HD2 H 1 1.692 0.030 . 1 . . . . 66 LYS HD2 . 10143 1 684 . 1 1 66 66 LYS HE2 H 1 2.998 0.030 . 1 . . . . 66 LYS HE2 . 10143 1 685 . 1 1 66 66 LYS HG2 H 1 1.380 0.030 . 2 . . . . 66 LYS HG2 . 10143 1 686 . 1 1 67 67 PRO CA C 13 62.433 0.300 . 1 . . . . 67 PRO CA . 10143 1 687 . 1 1 67 67 PRO HA H 1 5.062 0.030 . 1 . . . . 67 PRO HA . 10143 1 688 . 1 1 67 67 PRO CB C 13 32.725 0.300 . 1 . . . . 67 PRO CB . 10143 1 689 . 1 1 67 67 PRO HB3 H 1 1.916 0.030 . 2 . . . . 67 PRO HB3 . 10143 1 690 . 1 1 67 67 PRO CG C 13 27.356 0.300 . 1 . . . . 67 PRO CG . 10143 1 691 . 1 1 67 67 PRO HG3 H 1 2.144 0.030 . 2 . . . . 67 PRO HG3 . 10143 1 692 . 1 1 67 67 PRO CD C 13 50.789 0.300 . 1 . . . . 67 PRO CD . 10143 1 693 . 1 1 67 67 PRO HD3 H 1 3.979 0.030 . 2 . . . . 67 PRO HD3 . 10143 1 694 . 1 1 67 67 PRO C C 13 177.270 0.300 . 1 . . . . 67 PRO C . 10143 1 695 . 1 1 67 67 PRO HB2 H 1 2.321 0.030 . 2 . . . . 67 PRO HB2 . 10143 1 696 . 1 1 67 67 PRO HD2 H 1 3.717 0.030 . 2 . . . . 67 PRO HD2 . 10143 1 697 . 1 1 67 67 PRO HG2 H 1 2.066 0.030 . 2 . . . . 67 PRO HG2 . 10143 1 698 . 1 1 68 68 LYS N N 15 121.461 0.300 . 1 . . . . 68 LYS N . 10143 1 699 . 1 1 68 68 LYS H H 1 8.419 0.030 . 1 . . . . 68 LYS H . 10143 1 700 . 1 1 68 68 LYS CA C 13 52.023 0.300 . 1 . . . . 68 LYS CA . 10143 1 701 . 1 1 68 68 LYS HA H 1 4.797 0.030 . 1 . . . . 68 LYS HA . 10143 1 702 . 1 1 68 68 LYS CB C 13 32.611 0.300 . 1 . . . . 68 LYS CB . 10143 1 703 . 1 1 68 68 LYS HB3 H 1 1.553 0.030 . 2 . . . . 68 LYS HB3 . 10143 1 704 . 1 1 68 68 LYS CG C 13 24.055 0.300 . 1 . . . . 68 LYS CG . 10143 1 705 . 1 1 68 68 LYS HG3 H 1 1.542 0.030 . 2 . . . . 68 LYS HG3 . 10143 1 706 . 1 1 68 68 LYS CD C 13 27.293 0.300 . 1 . . . . 68 LYS CD . 10143 1 707 . 1 1 68 68 LYS HD3 H 1 1.911 0.030 . 2 . . . . 68 LYS HD3 . 10143 1 708 . 1 1 68 68 LYS CE C 13 42.492 0.300 . 1 . . . . 68 LYS CE . 10143 1 709 . 1 1 68 68 LYS HE3 H 1 3.104 0.030 . 2 . . . . 68 LYS HE3 . 10143 1 710 . 1 1 68 68 LYS C C 13 175.389 0.300 . 1 . . . . 68 LYS C . 10143 1 711 . 1 1 68 68 LYS HB2 H 1 1.859 0.030 . 2 . . . . 68 LYS HB2 . 10143 1 712 . 1 1 68 68 LYS HD2 H 1 1.483 0.030 . 2 . . . . 68 LYS HD2 . 10143 1 713 . 1 1 68 68 LYS HE2 H 1 3.192 0.030 . 2 . . . . 68 LYS HE2 . 10143 1 714 . 1 1 68 68 LYS HG2 H 1 1.453 0.030 . 2 . . . . 68 LYS HG2 . 10143 1 715 . 1 1 69 69 ARG N N 15 124.040 0.300 . 1 . . . . 69 ARG N . 10143 1 716 . 1 1 69 69 ARG H H 1 8.683 0.030 . 1 . . . . 69 ARG H . 10143 1 717 . 1 1 69 69 ARG CA C 13 57.045 0.300 . 1 . . . . 69 ARG CA . 10143 1 718 . 1 1 69 69 ARG HA H 1 4.221 0.030 . 1 . . . . 69 ARG HA . 10143 1 719 . 1 1 69 69 ARG CB C 13 30.712 0.300 . 1 . . . . 69 ARG CB . 10143 1 720 . 1 1 69 69 ARG HB3 H 1 1.812 0.030 . 1 . . . . 69 ARG HB3 . 10143 1 721 . 1 1 69 69 ARG CG C 13 27.355 0.300 . 1 . . . . 69 ARG CG . 10143 1 722 . 1 1 69 69 ARG HG3 H 1 1.707 0.030 . 2 . . . . 69 ARG HG3 . 10143 1 723 . 1 1 69 69 ARG CD C 13 43.532 0.300 . 1 . . . . 69 ARG CD . 10143 1 724 . 1 1 69 69 ARG HD3 H 1 3.224 0.030 . 1 . . . . 69 ARG HD3 . 10143 1 725 . 1 1 69 69 ARG C C 13 174.877 0.300 . 1 . . . . 69 ARG C . 10143 1 726 . 1 1 69 69 ARG HB2 H 1 1.812 0.030 . 1 . . . . 69 ARG HB2 . 10143 1 727 . 1 1 69 69 ARG HD2 H 1 3.224 0.030 . 1 . . . . 69 ARG HD2 . 10143 1 728 . 1 1 69 69 ARG HG2 H 1 1.531 0.030 . 2 . . . . 69 ARG HG2 . 10143 1 729 . 1 1 70 70 ALA N N 15 127.074 0.300 . 1 . . . . 70 ALA N . 10143 1 730 . 1 1 70 70 ALA H H 1 8.421 0.030 . 1 . . . . 70 ALA H . 10143 1 731 . 1 1 70 70 ALA CA C 13 50.360 0.300 . 1 . . . . 70 ALA CA . 10143 1 732 . 1 1 70 70 ALA HA H 1 4.859 0.030 . 1 . . . . 70 ALA HA . 10143 1 733 . 1 1 70 70 ALA CB C 13 20.569 0.300 . 1 . . . . 70 ALA CB . 10143 1 734 . 1 1 70 70 ALA HB1 H 1 1.127 0.030 . 1 . . . . 70 ALA HB . 10143 1 735 . 1 1 70 70 ALA HB2 H 1 1.127 0.030 . 1 . . . . 70 ALA HB . 10143 1 736 . 1 1 70 70 ALA HB3 H 1 1.127 0.030 . 1 . . . . 70 ALA HB . 10143 1 737 . 1 1 70 70 ALA C C 13 176.313 0.300 . 1 . . . . 70 ALA C . 10143 1 738 . 1 1 71 71 ILE N N 15 124.496 0.300 . 1 . . . . 71 ILE N . 10143 1 739 . 1 1 71 71 ILE H H 1 8.943 0.030 . 1 . . . . 71 ILE H . 10143 1 740 . 1 1 71 71 ILE CA C 13 60.870 0.300 . 1 . . . . 71 ILE CA . 10143 1 741 . 1 1 71 71 ILE HA H 1 4.195 0.030 . 1 . . . . 71 ILE HA . 10143 1 742 . 1 1 71 71 ILE CB C 13 38.457 0.300 . 1 . . . . 71 ILE CB . 10143 1 743 . 1 1 71 71 ILE HB H 1 1.864 0.030 . 1 . . . . 71 ILE HB . 10143 1 744 . 1 1 71 71 ILE CG1 C 13 27.386 0.300 . 1 . . . . 71 ILE CG1 . 10143 1 745 . 1 1 71 71 ILE HG13 H 1 1.478 0.030 . 2 . . . . 71 ILE HG13 . 10143 1 746 . 1 1 71 71 ILE CG2 C 13 17.544 0.300 . 1 . . . . 71 ILE CG2 . 10143 1 747 . 1 1 71 71 ILE HG21 H 1 0.803 0.030 . 1 . . . . 71 ILE HG2 . 10143 1 748 . 1 1 71 71 ILE HG22 H 1 0.803 0.030 . 1 . . . . 71 ILE HG2 . 10143 1 749 . 1 1 71 71 ILE HG23 H 1 0.803 0.030 . 1 . . . . 71 ILE HG2 . 10143 1 750 . 1 1 71 71 ILE CD1 C 13 12.768 0.300 . 1 . . . . 71 ILE CD1 . 10143 1 751 . 1 1 71 71 ILE HD11 H 1 0.806 0.030 . 1 . . . . 71 ILE HD1 . 10143 1 752 . 1 1 71 71 ILE HD12 H 1 0.806 0.030 . 1 . . . . 71 ILE HD1 . 10143 1 753 . 1 1 71 71 ILE HD13 H 1 0.806 0.030 . 1 . . . . 71 ILE HD1 . 10143 1 754 . 1 1 71 71 ILE C C 13 175.027 0.300 . 1 . . . . 71 ILE C . 10143 1 755 . 1 1 71 71 ILE HG12 H 1 1.114 0.030 . 2 . . . . 71 ILE HG12 . 10143 1 756 . 1 1 72 72 VAL N N 15 128.410 0.300 . 1 . . . . 72 VAL N . 10143 1 757 . 1 1 72 72 VAL H H 1 8.714 0.030 . 1 . . . . 72 VAL H . 10143 1 758 . 1 1 72 72 VAL CA C 13 61.867 0.300 . 1 . . . . 72 VAL CA . 10143 1 759 . 1 1 72 72 VAL HA H 1 4.478 0.030 . 1 . . . . 72 VAL HA . 10143 1 760 . 1 1 72 72 VAL CB C 13 32.745 0.300 . 1 . . . . 72 VAL CB . 10143 1 761 . 1 1 72 72 VAL HB H 1 2.073 0.030 . 1 . . . . 72 VAL HB . 10143 1 762 . 1 1 72 72 VAL CG1 C 13 20.955 0.300 . 1 . . . . 72 VAL CG1 . 10143 1 763 . 1 1 72 72 VAL HG11 H 1 0.831 0.030 . 1 . . . . 72 VAL HG1 . 10143 1 764 . 1 1 72 72 VAL HG12 H 1 0.831 0.030 . 1 . . . . 72 VAL HG1 . 10143 1 765 . 1 1 72 72 VAL HG13 H 1 0.831 0.030 . 1 . . . . 72 VAL HG1 . 10143 1 766 . 1 1 72 72 VAL CG2 C 13 20.955 0.300 . 1 . . . . 72 VAL CG2 . 10143 1 767 . 1 1 72 72 VAL HG21 H 1 0.831 0.030 . 1 . . . . 72 VAL HG2 . 10143 1 768 . 1 1 72 72 VAL HG22 H 1 0.831 0.030 . 1 . . . . 72 VAL HG2 . 10143 1 769 . 1 1 72 72 VAL HG23 H 1 0.831 0.030 . 1 . . . . 72 VAL HG2 . 10143 1 770 . 1 1 72 72 VAL C C 13 175.279 0.300 . 1 . . . . 72 VAL C . 10143 1 771 . 1 1 73 73 HIS N N 15 129.084 0.300 . 1 . . . . 73 HIS N . 10143 1 772 . 1 1 73 73 HIS H H 1 9.783 0.030 . 1 . . . . 73 HIS H . 10143 1 773 . 1 1 73 73 HIS CA C 13 55.366 0.300 . 1 . . . . 73 HIS CA . 10143 1 774 . 1 1 73 73 HIS HA H 1 4.849 0.030 . 1 . . . . 73 HIS HA . 10143 1 775 . 1 1 73 73 HIS CB C 13 31.465 0.300 . 1 . . . . 73 HIS CB . 10143 1 776 . 1 1 73 73 HIS HB3 H 1 2.979 0.030 . 2 . . . . 73 HIS HB3 . 10143 1 777 . 1 1 73 73 HIS CD2 C 13 120.284 0.300 . 1 . . . . 73 HIS CD2 . 10143 1 778 . 1 1 73 73 HIS HD2 H 1 7.003 0.030 . 1 . . . . 73 HIS HD2 . 10143 1 779 . 1 1 73 73 HIS CE1 C 13 137.939 0.300 . 1 . . . . 73 HIS CE1 . 10143 1 780 . 1 1 73 73 HIS HE1 H 1 8.049 0.030 . 1 . . . . 73 HIS HE1 . 10143 1 781 . 1 1 73 73 HIS C C 13 173.491 0.300 . 1 . . . . 73 HIS C . 10143 1 782 . 1 1 73 73 HIS HB2 H 1 3.217 0.030 . 2 . . . . 73 HIS HB2 . 10143 1 783 . 1 1 74 74 ASP N N 15 127.118 0.300 . 1 . . . . 74 ASP N . 10143 1 784 . 1 1 74 74 ASP H H 1 8.541 0.030 . 1 . . . . 74 ASP H . 10143 1 785 . 1 1 74 74 ASP CA C 13 53.048 0.300 . 1 . . . . 74 ASP CA . 10143 1 786 . 1 1 74 74 ASP HA H 1 4.476 0.030 . 1 . . . . 74 ASP HA . 10143 1 787 . 1 1 74 74 ASP CB C 13 41.554 0.300 . 1 . . . . 74 ASP CB . 10143 1 788 . 1 1 74 74 ASP HB3 H 1 2.671 0.030 . 2 . . . . 74 ASP HB3 . 10143 1 789 . 1 1 74 74 ASP C C 13 175.936 0.300 . 1 . . . . 74 ASP C . 10143 1 790 . 1 1 74 74 ASP HB2 H 1 2.876 0.030 . 2 . . . . 74 ASP HB2 . 10143 1 791 . 1 1 75 75 ASN N N 15 124.002 0.300 . 1 . . . . 75 ASN N . 10143 1 792 . 1 1 75 75 ASN H H 1 7.827 0.030 . 1 . . . . 75 ASN H . 10143 1 793 . 1 1 75 75 ASN CA C 13 54.517 0.300 . 1 . . . . 75 ASN CA . 10143 1 794 . 1 1 75 75 ASN HA H 1 4.572 0.030 . 1 . . . . 75 ASN HA . 10143 1 795 . 1 1 75 75 ASN CB C 13 38.091 0.300 . 1 . . . . 75 ASN CB . 10143 1 796 . 1 1 75 75 ASN HB3 H 1 2.687 0.030 . 2 . . . . 75 ASN HB3 . 10143 1 797 . 1 1 75 75 ASN ND2 N 15 112.872 0.300 . 1 . . . . 75 ASN ND2 . 10143 1 798 . 1 1 75 75 ASN HD21 H 1 7.697 0.030 . 2 . . . . 75 ASN HD21 . 10143 1 799 . 1 1 75 75 ASN HD22 H 1 6.363 0.030 . 2 . . . . 75 ASN HD22 . 10143 1 800 . 1 1 75 75 ASN C C 13 175.352 0.300 . 1 . . . . 75 ASN C . 10143 1 801 . 1 1 75 75 ASN HB2 H 1 2.938 0.030 . 2 . . . . 75 ASN HB2 . 10143 1 802 . 1 1 76 76 LYS N N 15 114.689 0.300 . 1 . . . . 76 LYS N . 10143 1 803 . 1 1 76 76 LYS H H 1 9.246 0.030 . 1 . . . . 76 LYS H . 10143 1 804 . 1 1 76 76 LYS CA C 13 57.428 0.300 . 1 . . . . 76 LYS CA . 10143 1 805 . 1 1 76 76 LYS HA H 1 3.882 0.030 . 1 . . . . 76 LYS HA . 10143 1 806 . 1 1 76 76 LYS CB C 13 28.223 0.300 . 1 . . . . 76 LYS CB . 10143 1 807 . 1 1 76 76 LYS HB3 H 1 1.951 0.030 . 2 . . . . 76 LYS HB3 . 10143 1 808 . 1 1 76 76 LYS CG C 13 24.532 0.300 . 1 . . . . 76 LYS CG . 10143 1 809 . 1 1 76 76 LYS HG3 H 1 1.304 0.030 . 2 . . . . 76 LYS HG3 . 10143 1 810 . 1 1 76 76 LYS CD C 13 28.351 0.300 . 1 . . . . 76 LYS CD . 10143 1 811 . 1 1 76 76 LYS HD3 H 1 1.641 0.030 . 2 . . . . 76 LYS HD3 . 10143 1 812 . 1 1 76 76 LYS CE C 13 42.295 0.300 . 1 . . . . 76 LYS CE . 10143 1 813 . 1 1 76 76 LYS HE3 H 1 2.975 0.030 . 1 . . . . 76 LYS HE3 . 10143 1 814 . 1 1 76 76 LYS C C 13 174.975 0.300 . 1 . . . . 76 LYS C . 10143 1 815 . 1 1 76 76 LYS HB2 H 1 2.132 0.030 . 2 . . . . 76 LYS HB2 . 10143 1 816 . 1 1 76 76 LYS HD2 H 1 1.563 0.030 . 2 . . . . 76 LYS HD2 . 10143 1 817 . 1 1 76 76 LYS HE2 H 1 2.975 0.030 . 1 . . . . 76 LYS HE2 . 10143 1 818 . 1 1 76 76 LYS HG2 H 1 1.164 0.030 . 2 . . . . 76 LYS HG2 . 10143 1 819 . 1 1 77 77 ASP N N 15 117.462 0.300 . 1 . . . . 77 ASP N . 10143 1 820 . 1 1 77 77 ASP H H 1 7.831 0.030 . 1 . . . . 77 ASP H . 10143 1 821 . 1 1 77 77 ASP CA C 13 52.168 0.300 . 1 . . . . 77 ASP CA . 10143 1 822 . 1 1 77 77 ASP HA H 1 4.706 0.030 . 1 . . . . 77 ASP HA . 10143 1 823 . 1 1 77 77 ASP CB C 13 41.224 0.300 . 1 . . . . 77 ASP CB . 10143 1 824 . 1 1 77 77 ASP HB3 H 1 2.396 0.030 . 2 . . . . 77 ASP HB3 . 10143 1 825 . 1 1 77 77 ASP C C 13 176.739 0.300 . 1 . . . . 77 ASP C . 10143 1 826 . 1 1 77 77 ASP HB2 H 1 3.002 0.030 . 2 . . . . 77 ASP HB2 . 10143 1 827 . 1 1 78 78 GLY N N 15 109.485 0.300 . 1 . . . . 78 GLY N . 10143 1 828 . 1 1 78 78 GLY H H 1 8.658 0.030 . 1 . . . . 78 GLY H . 10143 1 829 . 1 1 78 78 GLY CA C 13 45.568 0.300 . 1 . . . . 78 GLY CA . 10143 1 830 . 1 1 78 78 GLY HA3 H 1 3.698 0.030 . 2 . . . . 78 GLY HA3 . 10143 1 831 . 1 1 78 78 GLY C C 13 172.263 0.300 . 1 . . . . 78 GLY C . 10143 1 832 . 1 1 78 78 GLY HA2 H 1 4.323 0.030 . 2 . . . . 78 GLY HA2 . 10143 1 833 . 1 1 79 79 THR N N 15 109.462 0.300 . 1 . . . . 79 THR N . 10143 1 834 . 1 1 79 79 THR H H 1 8.057 0.030 . 1 . . . . 79 THR H . 10143 1 835 . 1 1 79 79 THR CA C 13 59.989 0.300 . 1 . . . . 79 THR CA . 10143 1 836 . 1 1 79 79 THR HA H 1 5.566 0.030 . 1 . . . . 79 THR HA . 10143 1 837 . 1 1 79 79 THR CB C 13 72.712 0.300 . 1 . . . . 79 THR CB . 10143 1 838 . 1 1 79 79 THR HB H 1 4.429 0.030 . 1 . . . . 79 THR HB . 10143 1 839 . 1 1 79 79 THR CG2 C 13 20.959 0.300 . 1 . . . . 79 THR CG2 . 10143 1 840 . 1 1 79 79 THR HG21 H 1 1.078 0.030 . 1 . . . . 79 THR HG2 . 10143 1 841 . 1 1 79 79 THR HG22 H 1 1.078 0.030 . 1 . . . . 79 THR HG2 . 10143 1 842 . 1 1 79 79 THR HG23 H 1 1.078 0.030 . 1 . . . . 79 THR HG2 . 10143 1 843 . 1 1 79 79 THR C C 13 173.868 0.300 . 1 . . . . 79 THR C . 10143 1 844 . 1 1 80 80 TYR N N 15 116.428 0.300 . 1 . . . . 80 TYR N . 10143 1 845 . 1 1 80 80 TYR H H 1 9.085 0.030 . 1 . . . . 80 TYR H . 10143 1 846 . 1 1 80 80 TYR CA C 13 56.533 0.300 . 1 . . . . 80 TYR CA . 10143 1 847 . 1 1 80 80 TYR HA H 1 5.372 0.030 . 1 . . . . 80 TYR HA . 10143 1 848 . 1 1 80 80 TYR CB C 13 42.831 0.300 . 1 . . . . 80 TYR CB . 10143 1 849 . 1 1 80 80 TYR HB3 H 1 2.730 0.030 . 2 . . . . 80 TYR HB3 . 10143 1 850 . 1 1 80 80 TYR CD1 C 13 132.992 0.300 . 1 . . . . 80 TYR CD1 . 10143 1 851 . 1 1 80 80 TYR HD1 H 1 6.759 0.030 . 1 . . . . 80 TYR HD1 . 10143 1 852 . 1 1 80 80 TYR CD2 C 13 132.992 0.300 . 1 . . . . 80 TYR CD2 . 10143 1 853 . 1 1 80 80 TYR HD2 H 1 6.759 0.030 . 1 . . . . 80 TYR HD2 . 10143 1 854 . 1 1 80 80 TYR CE1 C 13 118.049 0.300 . 1 . . . . 80 TYR CE1 . 10143 1 855 . 1 1 80 80 TYR HE1 H 1 6.701 0.030 . 1 . . . . 80 TYR HE1 . 10143 1 856 . 1 1 80 80 TYR CE2 C 13 118.049 0.300 . 1 . . . . 80 TYR CE2 . 10143 1 857 . 1 1 80 80 TYR HE2 H 1 6.701 0.030 . 1 . . . . 80 TYR HE2 . 10143 1 858 . 1 1 80 80 TYR C C 13 175.327 0.300 . 1 . . . . 80 TYR C . 10143 1 859 . 1 1 80 80 TYR HB2 H 1 2.495 0.030 . 2 . . . . 80 TYR HB2 . 10143 1 860 . 1 1 81 81 ALA N N 15 126.743 0.300 . 1 . . . . 81 ALA N . 10143 1 861 . 1 1 81 81 ALA H H 1 9.302 0.030 . 1 . . . . 81 ALA H . 10143 1 862 . 1 1 81 81 ALA CA C 13 51.121 0.300 . 1 . . . . 81 ALA CA . 10143 1 863 . 1 1 81 81 ALA HA H 1 5.149 0.030 . 1 . . . . 81 ALA HA . 10143 1 864 . 1 1 81 81 ALA CB C 13 22.111 0.300 . 1 . . . . 81 ALA CB . 10143 1 865 . 1 1 81 81 ALA HB1 H 1 1.501 0.030 . 1 . . . . 81 ALA HB . 10143 1 866 . 1 1 81 81 ALA HB2 H 1 1.501 0.030 . 1 . . . . 81 ALA HB . 10143 1 867 . 1 1 81 81 ALA HB3 H 1 1.501 0.030 . 1 . . . . 81 ALA HB . 10143 1 868 . 1 1 81 81 ALA C C 13 175.505 0.300 . 1 . . . . 81 ALA C . 10143 1 869 . 1 1 82 82 VAL N N 15 124.472 0.300 . 1 . . . . 82 VAL N . 10143 1 870 . 1 1 82 82 VAL H H 1 8.940 0.030 . 1 . . . . 82 VAL H . 10143 1 871 . 1 1 82 82 VAL CA C 13 60.264 0.300 . 1 . . . . 82 VAL CA . 10143 1 872 . 1 1 82 82 VAL HA H 1 5.039 0.030 . 1 . . . . 82 VAL HA . 10143 1 873 . 1 1 82 82 VAL CB C 13 33.236 0.300 . 1 . . . . 82 VAL CB . 10143 1 874 . 1 1 82 82 VAL HB H 1 0.134 0.030 . 1 . . . . 82 VAL HB . 10143 1 875 . 1 1 82 82 VAL CG1 C 13 22.488 0.300 . 2 . . . . 82 VAL CG1 . 10143 1 876 . 1 1 82 82 VAL HG11 H 1 0.527 0.030 . 1 . . . . 82 VAL HG1 . 10143 1 877 . 1 1 82 82 VAL HG12 H 1 0.527 0.030 . 1 . . . . 82 VAL HG1 . 10143 1 878 . 1 1 82 82 VAL HG13 H 1 0.527 0.030 . 1 . . . . 82 VAL HG1 . 10143 1 879 . 1 1 82 82 VAL CG2 C 13 21.858 0.300 . 2 . . . . 82 VAL CG2 . 10143 1 880 . 1 1 82 82 VAL HG21 H 1 0.449 0.030 . 1 . . . . 82 VAL HG2 . 10143 1 881 . 1 1 82 82 VAL HG22 H 1 0.449 0.030 . 1 . . . . 82 VAL HG2 . 10143 1 882 . 1 1 82 82 VAL HG23 H 1 0.449 0.030 . 1 . . . . 82 VAL HG2 . 10143 1 883 . 1 1 82 82 VAL C C 13 174.517 0.300 . 1 . . . . 82 VAL C . 10143 1 884 . 1 1 83 83 THR N N 15 121.500 0.300 . 1 . . . . 83 THR N . 10143 1 885 . 1 1 83 83 THR H H 1 8.717 0.030 . 1 . . . . 83 THR H . 10143 1 886 . 1 1 83 83 THR CA C 13 61.075 0.300 . 1 . . . . 83 THR CA . 10143 1 887 . 1 1 83 83 THR HA H 1 5.497 0.030 . 1 . . . . 83 THR HA . 10143 1 888 . 1 1 83 83 THR CB C 13 72.153 0.300 . 1 . . . . 83 THR CB . 10143 1 889 . 1 1 83 83 THR HB H 1 3.667 0.030 . 1 . . . . 83 THR HB . 10143 1 890 . 1 1 83 83 THR CG2 C 13 21.506 0.300 . 1 . . . . 83 THR CG2 . 10143 1 891 . 1 1 83 83 THR HG21 H 1 1.123 0.030 . 1 . . . . 83 THR HG2 . 10143 1 892 . 1 1 83 83 THR HG22 H 1 1.123 0.030 . 1 . . . . 83 THR HG2 . 10143 1 893 . 1 1 83 83 THR HG23 H 1 1.123 0.030 . 1 . . . . 83 THR HG2 . 10143 1 894 . 1 1 83 83 THR C C 13 173.515 0.300 . 1 . . . . 83 THR C . 10143 1 895 . 1 1 84 84 TYR N N 15 122.841 0.300 . 1 . . . . 84 TYR N . 10143 1 896 . 1 1 84 84 TYR H H 1 9.014 0.030 . 1 . . . . 84 TYR H . 10143 1 897 . 1 1 84 84 TYR CA C 13 55.985 0.300 . 1 . . . . 84 TYR CA . 10143 1 898 . 1 1 84 84 TYR HA H 1 4.979 0.030 . 1 . . . . 84 TYR HA . 10143 1 899 . 1 1 84 84 TYR CB C 13 41.967 0.300 . 1 . . . . 84 TYR CB . 10143 1 900 . 1 1 84 84 TYR HB3 H 1 2.789 0.030 . 1 . . . . 84 TYR HB3 . 10143 1 901 . 1 1 84 84 TYR CD1 C 13 132.453 0.300 . 1 . . . . 84 TYR CD1 . 10143 1 902 . 1 1 84 84 TYR HD1 H 1 6.480 0.030 . 1 . . . . 84 TYR HD1 . 10143 1 903 . 1 1 84 84 TYR CD2 C 13 132.453 0.300 . 1 . . . . 84 TYR CD2 . 10143 1 904 . 1 1 84 84 TYR HD2 H 1 6.480 0.030 . 1 . . . . 84 TYR HD2 . 10143 1 905 . 1 1 84 84 TYR CE1 C 13 116.751 0.300 . 1 . . . . 84 TYR CE1 . 10143 1 906 . 1 1 84 84 TYR HE1 H 1 6.114 0.030 . 1 . . . . 84 TYR HE1 . 10143 1 907 . 1 1 84 84 TYR CE2 C 13 116.751 0.300 . 1 . . . . 84 TYR CE2 . 10143 1 908 . 1 1 84 84 TYR HE2 H 1 6.114 0.030 . 1 . . . . 84 TYR HE2 . 10143 1 909 . 1 1 84 84 TYR C C 13 171.873 0.300 . 1 . . . . 84 TYR C . 10143 1 910 . 1 1 84 84 TYR HB2 H 1 2.789 0.030 . 1 . . . . 84 TYR HB2 . 10143 1 911 . 1 1 85 85 ILE N N 15 118.254 0.300 . 1 . . . . 85 ILE N . 10143 1 912 . 1 1 85 85 ILE H H 1 8.805 0.030 . 1 . . . . 85 ILE H . 10143 1 913 . 1 1 85 85 ILE CA C 13 57.883 0.300 . 1 . . . . 85 ILE CA . 10143 1 914 . 1 1 85 85 ILE HA H 1 4.550 0.030 . 1 . . . . 85 ILE HA . 10143 1 915 . 1 1 85 85 ILE CB C 13 40.179 0.300 . 1 . . . . 85 ILE CB . 10143 1 916 . 1 1 85 85 ILE HB H 1 1.721 0.030 . 1 . . . . 85 ILE HB . 10143 1 917 . 1 1 85 85 ILE CG1 C 13 27.630 0.300 . 1 . . . . 85 ILE CG1 . 10143 1 918 . 1 1 85 85 ILE HG13 H 1 1.420 0.030 . 2 . . . . 85 ILE HG13 . 10143 1 919 . 1 1 85 85 ILE CG2 C 13 16.916 0.300 . 1 . . . . 85 ILE CG2 . 10143 1 920 . 1 1 85 85 ILE HG21 H 1 0.429 0.030 . 1 . . . . 85 ILE HG2 . 10143 1 921 . 1 1 85 85 ILE HG22 H 1 0.429 0.030 . 1 . . . . 85 ILE HG2 . 10143 1 922 . 1 1 85 85 ILE HG23 H 1 0.429 0.030 . 1 . . . . 85 ILE HG2 . 10143 1 923 . 1 1 85 85 ILE CD1 C 13 13.861 0.300 . 1 . . . . 85 ILE CD1 . 10143 1 924 . 1 1 85 85 ILE HD11 H 1 0.825 0.030 . 1 . . . . 85 ILE HD1 . 10143 1 925 . 1 1 85 85 ILE HD12 H 1 0.825 0.030 . 1 . . . . 85 ILE HD1 . 10143 1 926 . 1 1 85 85 ILE HD13 H 1 0.825 0.030 . 1 . . . . 85 ILE HD1 . 10143 1 927 . 1 1 85 85 ILE C C 13 174.339 0.300 . 1 . . . . 85 ILE C . 10143 1 928 . 1 1 85 85 ILE HG12 H 1 0.494 0.030 . 2 . . . . 85 ILE HG12 . 10143 1 929 . 1 1 86 86 PRO CA C 13 61.414 0.300 . 1 . . . . 86 PRO CA . 10143 1 930 . 1 1 86 86 PRO HA H 1 4.436 0.030 . 1 . . . . 86 PRO HA . 10143 1 931 . 1 1 86 86 PRO CB C 13 30.107 0.300 . 1 . . . . 86 PRO CB . 10143 1 932 . 1 1 86 86 PRO HB3 H 1 1.239 0.030 . 2 . . . . 86 PRO HB3 . 10143 1 933 . 1 1 86 86 PRO CG C 13 26.671 0.300 . 1 . . . . 86 PRO CG . 10143 1 934 . 1 1 86 86 PRO HG3 H 1 2.236 0.030 . 2 . . . . 86 PRO HG3 . 10143 1 935 . 1 1 86 86 PRO CD C 13 50.301 0.300 . 1 . . . . 86 PRO CD . 10143 1 936 . 1 1 86 86 PRO HD3 H 1 3.960 0.030 . 2 . . . . 86 PRO HD3 . 10143 1 937 . 1 1 86 86 PRO C C 13 175.126 0.300 . 1 . . . . 86 PRO C . 10143 1 938 . 1 1 86 86 PRO HB2 H 1 1.771 0.030 . 2 . . . . 86 PRO HB2 . 10143 1 939 . 1 1 86 86 PRO HD2 H 1 3.276 0.030 . 2 . . . . 86 PRO HD2 . 10143 1 940 . 1 1 86 86 PRO HG2 H 1 1.626 0.030 . 2 . . . . 86 PRO HG2 . 10143 1 941 . 1 1 87 87 ASP N N 15 123.447 0.300 . 1 . . . . 87 ASP N . 10143 1 942 . 1 1 87 87 ASP H H 1 8.501 0.030 . 1 . . . . 87 ASP H . 10143 1 943 . 1 1 87 87 ASP CA C 13 55.668 0.300 . 1 . . . . 87 ASP CA . 10143 1 944 . 1 1 87 87 ASP HA H 1 4.263 0.030 . 1 . . . . 87 ASP HA . 10143 1 945 . 1 1 87 87 ASP CB C 13 40.930 0.300 . 1 . . . . 87 ASP CB . 10143 1 946 . 1 1 87 87 ASP HB3 H 1 2.718 0.030 . 1 . . . . 87 ASP HB3 . 10143 1 947 . 1 1 87 87 ASP C C 13 175.182 0.300 . 1 . . . . 87 ASP C . 10143 1 948 . 1 1 87 87 ASP HB2 H 1 2.718 0.030 . 1 . . . . 87 ASP HB2 . 10143 1 949 . 1 1 88 88 LYS N N 15 116.947 0.300 . 1 . . . . 88 LYS N . 10143 1 950 . 1 1 88 88 LYS H H 1 7.683 0.030 . 1 . . . . 88 LYS H . 10143 1 951 . 1 1 88 88 LYS CA C 13 54.995 0.300 . 1 . . . . 88 LYS CA . 10143 1 952 . 1 1 88 88 LYS HA H 1 4.588 0.030 . 1 . . . . 88 LYS HA . 10143 1 953 . 1 1 88 88 LYS CB C 13 34.821 0.300 . 1 . . . . 88 LYS CB . 10143 1 954 . 1 1 88 88 LYS HB3 H 1 1.752 0.030 . 2 . . . . 88 LYS HB3 . 10143 1 955 . 1 1 88 88 LYS CG C 13 24.520 0.300 . 1 . . . . 88 LYS CG . 10143 1 956 . 1 1 88 88 LYS HG3 H 1 1.461 0.030 . 1 . . . . 88 LYS HG3 . 10143 1 957 . 1 1 88 88 LYS CD C 13 29.088 0.300 . 1 . . . . 88 LYS CD . 10143 1 958 . 1 1 88 88 LYS HD3 H 1 1.690 0.030 . 1 . . . . 88 LYS HD3 . 10143 1 959 . 1 1 88 88 LYS CE C 13 42.213 0.300 . 1 . . . . 88 LYS CE . 10143 1 960 . 1 1 88 88 LYS HE3 H 1 2.992 0.030 . 1 . . . . 88 LYS HE3 . 10143 1 961 . 1 1 88 88 LYS C C 13 177.529 0.300 . 1 . . . . 88 LYS C . 10143 1 962 . 1 1 88 88 LYS HB2 H 1 1.933 0.030 . 2 . . . . 88 LYS HB2 . 10143 1 963 . 1 1 88 88 LYS HD2 H 1 1.690 0.030 . 1 . . . . 88 LYS HD2 . 10143 1 964 . 1 1 88 88 LYS HE2 H 1 2.992 0.030 . 1 . . . . 88 LYS HE2 . 10143 1 965 . 1 1 88 88 LYS HG2 H 1 1.461 0.030 . 1 . . . . 88 LYS HG2 . 10143 1 966 . 1 1 89 89 THR N N 15 114.134 0.300 . 1 . . . . 89 THR N . 10143 1 967 . 1 1 89 89 THR H H 1 8.588 0.030 . 1 . . . . 89 THR H . 10143 1 968 . 1 1 89 89 THR CA C 13 62.828 0.300 . 1 . . . . 89 THR CA . 10143 1 969 . 1 1 89 89 THR HA H 1 4.083 0.030 . 1 . . . . 89 THR HA . 10143 1 970 . 1 1 89 89 THR CB C 13 69.590 0.300 . 1 . . . . 89 THR CB . 10143 1 971 . 1 1 89 89 THR HB H 1 4.348 0.030 . 1 . . . . 89 THR HB . 10143 1 972 . 1 1 89 89 THR CG2 C 13 22.620 0.300 . 1 . . . . 89 THR CG2 . 10143 1 973 . 1 1 89 89 THR HG21 H 1 1.236 0.030 . 1 . . . . 89 THR HG2 . 10143 1 974 . 1 1 89 89 THR HG22 H 1 1.236 0.030 . 1 . . . . 89 THR HG2 . 10143 1 975 . 1 1 89 89 THR HG23 H 1 1.236 0.030 . 1 . . . . 89 THR HG2 . 10143 1 976 . 1 1 89 89 THR C C 13 174.269 0.300 . 1 . . . . 89 THR C . 10143 1 977 . 1 1 90 90 GLY N N 15 109.440 0.300 . 1 . . . . 90 GLY N . 10143 1 978 . 1 1 90 90 GLY H H 1 8.444 0.030 . 1 . . . . 90 GLY H . 10143 1 979 . 1 1 90 90 GLY CA C 13 44.648 0.300 . 1 . . . . 90 GLY CA . 10143 1 980 . 1 1 90 90 GLY HA3 H 1 4.467 0.030 . 2 . . . . 90 GLY HA3 . 10143 1 981 . 1 1 90 90 GLY C C 13 172.469 0.300 . 1 . . . . 90 GLY C . 10143 1 982 . 1 1 90 90 GLY HA2 H 1 3.908 0.030 . 2 . . . . 90 GLY HA2 . 10143 1 983 . 1 1 91 91 ARG N N 15 120.781 0.300 . 1 . . . . 91 ARG N . 10143 1 984 . 1 1 91 91 ARG H H 1 8.271 0.030 . 1 . . . . 91 ARG H . 10143 1 985 . 1 1 91 91 ARG CA C 13 56.178 0.300 . 1 . . . . 91 ARG CA . 10143 1 986 . 1 1 91 91 ARG HA H 1 4.951 0.030 . 1 . . . . 91 ARG HA . 10143 1 987 . 1 1 91 91 ARG CB C 13 31.986 0.300 . 1 . . . . 91 ARG CB . 10143 1 988 . 1 1 91 91 ARG HB3 H 1 1.792 0.030 . 2 . . . . 91 ARG HB3 . 10143 1 989 . 1 1 91 91 ARG CG C 13 27.874 0.300 . 1 . . . . 91 ARG CG . 10143 1 990 . 1 1 91 91 ARG HG3 H 1 1.658 0.030 . 2 . . . . 91 ARG HG3 . 10143 1 991 . 1 1 91 91 ARG CD C 13 43.532 0.300 . 1 . . . . 91 ARG CD . 10143 1 992 . 1 1 91 91 ARG HD3 H 1 3.186 0.030 . 2 . . . . 91 ARG HD3 . 10143 1 993 . 1 1 91 91 ARG C C 13 175.711 0.300 . 1 . . . . 91 ARG C . 10143 1 994 . 1 1 91 91 ARG HB2 H 1 1.657 0.030 . 2 . . . . 91 ARG HB2 . 10143 1 995 . 1 1 91 91 ARG HD2 H 1 3.101 0.030 . 2 . . . . 91 ARG HD2 . 10143 1 996 . 1 1 91 91 ARG HG2 H 1 1.494 0.030 . 2 . . . . 91 ARG HG2 . 10143 1 997 . 1 1 92 92 TYR N N 15 122.381 0.300 . 1 . . . . 92 TYR N . 10143 1 998 . 1 1 92 92 TYR H H 1 9.312 0.030 . 1 . . . . 92 TYR H . 10143 1 999 . 1 1 92 92 TYR CA C 13 56.886 0.300 . 1 . . . . 92 TYR CA . 10143 1 1000 . 1 1 92 92 TYR HA H 1 4.960 0.030 . 1 . . . . 92 TYR HA . 10143 1 1001 . 1 1 92 92 TYR CB C 13 41.223 0.300 . 1 . . . . 92 TYR CB . 10143 1 1002 . 1 1 92 92 TYR HB3 H 1 2.499 0.030 . 2 . . . . 92 TYR HB3 . 10143 1 1003 . 1 1 92 92 TYR CD1 C 13 132.675 0.300 . 1 . . . . 92 TYR CD1 . 10143 1 1004 . 1 1 92 92 TYR HD1 H 1 6.914 0.030 . 1 . . . . 92 TYR HD1 . 10143 1 1005 . 1 1 92 92 TYR CD2 C 13 132.675 0.300 . 1 . . . . 92 TYR CD2 . 10143 1 1006 . 1 1 92 92 TYR HD2 H 1 6.914 0.030 . 1 . . . . 92 TYR HD2 . 10143 1 1007 . 1 1 92 92 TYR CE1 C 13 117.401 0.300 . 1 . . . . 92 TYR CE1 . 10143 1 1008 . 1 1 92 92 TYR HE1 H 1 6.771 0.030 . 1 . . . . 92 TYR HE1 . 10143 1 1009 . 1 1 92 92 TYR CE2 C 13 117.401 0.300 . 1 . . . . 92 TYR CE2 . 10143 1 1010 . 1 1 92 92 TYR HE2 H 1 6.771 0.030 . 1 . . . . 92 TYR HE2 . 10143 1 1011 . 1 1 92 92 TYR C C 13 174.902 0.300 . 1 . . . . 92 TYR C . 10143 1 1012 . 1 1 92 92 TYR HB2 H 1 2.687 0.030 . 2 . . . . 92 TYR HB2 . 10143 1 1013 . 1 1 93 93 MET N N 15 121.210 0.300 . 1 . . . . 93 MET N . 10143 1 1014 . 1 1 93 93 MET H H 1 8.819 0.030 . 1 . . . . 93 MET H . 10143 1 1015 . 1 1 93 93 MET CA C 13 53.745 0.300 . 1 . . . . 93 MET CA . 10143 1 1016 . 1 1 93 93 MET HA H 1 5.346 0.030 . 1 . . . . 93 MET HA . 10143 1 1017 . 1 1 93 93 MET CB C 13 34.220 0.300 . 1 . . . . 93 MET CB . 10143 1 1018 . 1 1 93 93 MET HB3 H 1 1.892 0.030 . 1 . . . . 93 MET HB3 . 10143 1 1019 . 1 1 93 93 MET CG C 13 32.230 0.300 . 1 . . . . 93 MET CG . 10143 1 1020 . 1 1 93 93 MET HG3 H 1 2.411 0.030 . 2 . . . . 93 MET HG3 . 10143 1 1021 . 1 1 93 93 MET CE C 13 16.509 0.300 . 1 . . . . 93 MET CE . 10143 1 1022 . 1 1 93 93 MET HE1 H 1 1.919 0.030 . 1 . . . . 93 MET HE . 10143 1 1023 . 1 1 93 93 MET HE2 H 1 1.919 0.030 . 1 . . . . 93 MET HE . 10143 1 1024 . 1 1 93 93 MET HE3 H 1 1.919 0.030 . 1 . . . . 93 MET HE . 10143 1 1025 . 1 1 93 93 MET C C 13 175.365 0.300 . 1 . . . . 93 MET C . 10143 1 1026 . 1 1 93 93 MET HB2 H 1 1.892 0.030 . 1 . . . . 93 MET HB2 . 10143 1 1027 . 1 1 93 93 MET HG2 H 1 2.337 0.030 . 2 . . . . 93 MET HG2 . 10143 1 1028 . 1 1 94 94 ILE N N 15 125.747 0.300 . 1 . . . . 94 ILE N . 10143 1 1029 . 1 1 94 94 ILE H H 1 9.372 0.030 . 1 . . . . 94 ILE H . 10143 1 1030 . 1 1 94 94 ILE CA C 13 60.685 0.300 . 1 . . . . 94 ILE CA . 10143 1 1031 . 1 1 94 94 ILE HA H 1 4.606 0.030 . 1 . . . . 94 ILE HA . 10143 1 1032 . 1 1 94 94 ILE CB C 13 39.188 0.300 . 1 . . . . 94 ILE CB . 10143 1 1033 . 1 1 94 94 ILE HB H 1 1.734 0.030 . 1 . . . . 94 ILE HB . 10143 1 1034 . 1 1 94 94 ILE CG1 C 13 27.062 0.300 . 1 . . . . 94 ILE CG1 . 10143 1 1035 . 1 1 94 94 ILE HG13 H 1 1.225 0.030 . 2 . . . . 94 ILE HG13 . 10143 1 1036 . 1 1 94 94 ILE CG2 C 13 16.634 0.300 . 1 . . . . 94 ILE CG2 . 10143 1 1037 . 1 1 94 94 ILE HG21 H 1 0.450 0.030 . 1 . . . . 94 ILE HG2 . 10143 1 1038 . 1 1 94 94 ILE HG22 H 1 0.450 0.030 . 1 . . . . 94 ILE HG2 . 10143 1 1039 . 1 1 94 94 ILE HG23 H 1 0.450 0.030 . 1 . . . . 94 ILE HG2 . 10143 1 1040 . 1 1 94 94 ILE CD1 C 13 13.851 0.300 . 1 . . . . 94 ILE CD1 . 10143 1 1041 . 1 1 94 94 ILE HD11 H 1 0.357 0.030 . 1 . . . . 94 ILE HD1 . 10143 1 1042 . 1 1 94 94 ILE HD12 H 1 0.357 0.030 . 1 . . . . 94 ILE HD1 . 10143 1 1043 . 1 1 94 94 ILE HD13 H 1 0.357 0.030 . 1 . . . . 94 ILE HD1 . 10143 1 1044 . 1 1 94 94 ILE C C 13 174.987 0.300 . 1 . . . . 94 ILE C . 10143 1 1045 . 1 1 94 94 ILE HG12 H 1 0.633 0.030 . 2 . . . . 94 ILE HG12 . 10143 1 1046 . 1 1 95 95 GLY N N 15 116.553 0.300 . 1 . . . . 95 GLY N . 10143 1 1047 . 1 1 95 95 GLY H H 1 9.509 0.030 . 1 . . . . 95 GLY H . 10143 1 1048 . 1 1 95 95 GLY CA C 13 44.507 0.300 . 1 . . . . 95 GLY CA . 10143 1 1049 . 1 1 95 95 GLY HA3 H 1 3.605 0.030 . 2 . . . . 95 GLY HA3 . 10143 1 1050 . 1 1 95 95 GLY C C 13 173.175 0.300 . 1 . . . . 95 GLY C . 10143 1 1051 . 1 1 95 95 GLY HA2 H 1 4.606 0.030 . 2 . . . . 95 GLY HA2 . 10143 1 1052 . 1 1 96 96 VAL N N 15 127.036 0.300 . 1 . . . . 96 VAL N . 10143 1 1053 . 1 1 96 96 VAL H H 1 9.299 0.030 . 1 . . . . 96 VAL H . 10143 1 1054 . 1 1 96 96 VAL CA C 13 61.308 0.300 . 1 . . . . 96 VAL CA . 10143 1 1055 . 1 1 96 96 VAL HA H 1 4.889 0.030 . 1 . . . . 96 VAL HA . 10143 1 1056 . 1 1 96 96 VAL CB C 13 34.145 0.300 . 1 . . . . 96 VAL CB . 10143 1 1057 . 1 1 96 96 VAL HB H 1 2.045 0.030 . 1 . . . . 96 VAL HB . 10143 1 1058 . 1 1 96 96 VAL CG1 C 13 22.562 0.300 . 2 . . . . 96 VAL CG1 . 10143 1 1059 . 1 1 96 96 VAL HG11 H 1 0.923 0.030 . 1 . . . . 96 VAL HG1 . 10143 1 1060 . 1 1 96 96 VAL HG12 H 1 0.923 0.030 . 1 . . . . 96 VAL HG1 . 10143 1 1061 . 1 1 96 96 VAL HG13 H 1 0.923 0.030 . 1 . . . . 96 VAL HG1 . 10143 1 1062 . 1 1 96 96 VAL CG2 C 13 20.781 0.300 . 2 . . . . 96 VAL CG2 . 10143 1 1063 . 1 1 96 96 VAL HG21 H 1 0.978 0.030 . 1 . . . . 96 VAL HG2 . 10143 1 1064 . 1 1 96 96 VAL HG22 H 1 0.978 0.030 . 1 . . . . 96 VAL HG2 . 10143 1 1065 . 1 1 96 96 VAL HG23 H 1 0.978 0.030 . 1 . . . . 96 VAL HG2 . 10143 1 1066 . 1 1 96 96 VAL C C 13 174.354 0.300 . 1 . . . . 96 VAL C . 10143 1 1067 . 1 1 97 97 THR N N 15 115.219 0.300 . 1 . . . . 97 THR N . 10143 1 1068 . 1 1 97 97 THR H H 1 9.018 0.030 . 1 . . . . 97 THR H . 10143 1 1069 . 1 1 97 97 THR CA C 13 57.826 0.300 . 1 . . . . 97 THR CA . 10143 1 1070 . 1 1 97 97 THR HA H 1 5.265 0.030 . 1 . . . . 97 THR HA . 10143 1 1071 . 1 1 97 97 THR CB C 13 72.753 0.300 . 1 . . . . 97 THR CB . 10143 1 1072 . 1 1 97 97 THR HB H 1 3.468 0.030 . 1 . . . . 97 THR HB . 10143 1 1073 . 1 1 97 97 THR CG2 C 13 20.617 0.300 . 1 . . . . 97 THR CG2 . 10143 1 1074 . 1 1 97 97 THR HG21 H 1 0.849 0.030 . 1 . . . . 97 THR HG2 . 10143 1 1075 . 1 1 97 97 THR HG22 H 1 0.849 0.030 . 1 . . . . 97 THR HG2 . 10143 1 1076 . 1 1 97 97 THR HG23 H 1 0.849 0.030 . 1 . . . . 97 THR HG2 . 10143 1 1077 . 1 1 97 97 THR C C 13 173.175 0.300 . 1 . . . . 97 THR C . 10143 1 1078 . 1 1 98 98 TYR N N 15 122.768 0.300 . 1 . . . . 98 TYR N . 10143 1 1079 . 1 1 98 98 TYR H H 1 9.149 0.030 . 1 . . . . 98 TYR H . 10143 1 1080 . 1 1 98 98 TYR CA C 13 57.488 0.300 . 1 . . . . 98 TYR CA . 10143 1 1081 . 1 1 98 98 TYR HA H 1 5.077 0.030 . 1 . . . . 98 TYR HA . 10143 1 1082 . 1 1 98 98 TYR CB C 13 43.122 0.300 . 1 . . . . 98 TYR CB . 10143 1 1083 . 1 1 98 98 TYR HB3 H 1 2.444 0.030 . 2 . . . . 98 TYR HB3 . 10143 1 1084 . 1 1 98 98 TYR CD1 C 13 131.075 0.300 . 1 . . . . 98 TYR CD1 . 10143 1 1085 . 1 1 98 98 TYR HD1 H 1 6.637 0.030 . 1 . . . . 98 TYR HD1 . 10143 1 1086 . 1 1 98 98 TYR CD2 C 13 131.075 0.300 . 1 . . . . 98 TYR CD2 . 10143 1 1087 . 1 1 98 98 TYR HD2 H 1 6.637 0.030 . 1 . . . . 98 TYR HD2 . 10143 1 1088 . 1 1 98 98 TYR CE1 C 13 118.785 0.300 . 1 . . . . 98 TYR CE1 . 10143 1 1089 . 1 1 98 98 TYR HE1 H 1 6.591 0.030 . 1 . . . . 98 TYR HE1 . 10143 1 1090 . 1 1 98 98 TYR CE2 C 13 118.785 0.300 . 1 . . . . 98 TYR CE2 . 10143 1 1091 . 1 1 98 98 TYR HE2 H 1 6.591 0.030 . 1 . . . . 98 TYR HE2 . 10143 1 1092 . 1 1 98 98 TYR C C 13 175.949 0.300 . 1 . . . . 98 TYR C . 10143 1 1093 . 1 1 98 98 TYR HB2 H 1 2.846 0.030 . 2 . . . . 98 TYR HB2 . 10143 1 1094 . 1 1 99 99 GLY N N 15 113.994 0.300 . 1 . . . . 99 GLY N . 10143 1 1095 . 1 1 99 99 GLY H H 1 8.402 0.030 . 1 . . . . 99 GLY H . 10143 1 1096 . 1 1 99 99 GLY CA C 13 45.010 0.300 . 1 . . . . 99 GLY CA . 10143 1 1097 . 1 1 99 99 GLY HA3 H 1 2.623 0.030 . 2 . . . . 99 GLY HA3 . 10143 1 1098 . 1 1 99 99 GLY C C 13 174.197 0.300 . 1 . . . . 99 GLY C . 10143 1 1099 . 1 1 99 99 GLY HA2 H 1 3.220 0.030 . 2 . . . . 99 GLY HA2 . 10143 1 1100 . 1 1 100 100 GLY N N 15 103.115 0.300 . 1 . . . . 100 GLY N . 10143 1 1101 . 1 1 100 100 GLY H H 1 8.288 0.030 . 1 . . . . 100 GLY H . 10143 1 1102 . 1 1 100 100 GLY CA C 13 44.170 0.300 . 1 . . . . 100 GLY CA . 10143 1 1103 . 1 1 100 100 GLY HA3 H 1 4.265 0.030 . 2 . . . . 100 GLY HA3 . 10143 1 1104 . 1 1 100 100 GLY C C 13 173.054 0.300 . 1 . . . . 100 GLY C . 10143 1 1105 . 1 1 100 100 GLY HA2 H 1 3.284 0.030 . 2 . . . . 100 GLY HA2 . 10143 1 1106 . 1 1 101 101 ASP N N 15 120.566 0.300 . 1 . . . . 101 ASP N . 10143 1 1107 . 1 1 101 101 ASP H H 1 7.245 0.030 . 1 . . . . 101 ASP H . 10143 1 1108 . 1 1 101 101 ASP CA C 13 52.908 0.300 . 1 . . . . 101 ASP CA . 10143 1 1109 . 1 1 101 101 ASP HA H 1 5.012 0.030 . 1 . . . . 101 ASP HA . 10143 1 1110 . 1 1 101 101 ASP CB C 13 42.831 0.300 . 1 . . . . 101 ASP CB . 10143 1 1111 . 1 1 101 101 ASP HB3 H 1 2.742 0.030 . 2 . . . . 101 ASP HB3 . 10143 1 1112 . 1 1 101 101 ASP C C 13 175.182 0.300 . 1 . . . . 101 ASP C . 10143 1 1113 . 1 1 101 101 ASP HB2 H 1 2.813 0.030 . 2 . . . . 101 ASP HB2 . 10143 1 1114 . 1 1 102 102 ASP N N 15 122.668 0.300 . 1 . . . . 102 ASP N . 10143 1 1115 . 1 1 102 102 ASP H H 1 8.597 0.030 . 1 . . . . 102 ASP H . 10143 1 1116 . 1 1 102 102 ASP CA C 13 56.233 0.300 . 1 . . . . 102 ASP CA . 10143 1 1117 . 1 1 102 102 ASP HA H 1 4.667 0.030 . 1 . . . . 102 ASP HA . 10143 1 1118 . 1 1 102 102 ASP CB C 13 42.373 0.300 . 1 . . . . 102 ASP CB . 10143 1 1119 . 1 1 102 102 ASP HB3 H 1 2.380 0.030 . 2 . . . . 102 ASP HB3 . 10143 1 1120 . 1 1 102 102 ASP C C 13 176.970 0.300 . 1 . . . . 102 ASP C . 10143 1 1121 . 1 1 102 102 ASP HB2 H 1 2.655 0.030 . 2 . . . . 102 ASP HB2 . 10143 1 1122 . 1 1 103 103 ILE N N 15 117.672 0.300 . 1 . . . . 103 ILE N . 10143 1 1123 . 1 1 103 103 ILE H H 1 7.887 0.030 . 1 . . . . 103 ILE H . 10143 1 1124 . 1 1 103 103 ILE CA C 13 61.025 0.300 . 1 . . . . 103 ILE CA . 10143 1 1125 . 1 1 103 103 ILE HA H 1 4.526 0.030 . 1 . . . . 103 ILE HA . 10143 1 1126 . 1 1 103 103 ILE CB C 13 35.534 0.300 . 1 . . . . 103 ILE CB . 10143 1 1127 . 1 1 103 103 ILE HB H 1 2.327 0.030 . 1 . . . . 103 ILE HB . 10143 1 1128 . 1 1 103 103 ILE CG1 C 13 25.657 0.300 . 1 . . . . 103 ILE CG1 . 10143 1 1129 . 1 1 103 103 ILE HG13 H 1 1.429 0.030 . 1 . . . . 103 ILE HG13 . 10143 1 1130 . 1 1 103 103 ILE CG2 C 13 17.103 0.300 . 1 . . . . 103 ILE CG2 . 10143 1 1131 . 1 1 103 103 ILE HG21 H 1 0.975 0.030 . 1 . . . . 103 ILE HG2 . 10143 1 1132 . 1 1 103 103 ILE HG22 H 1 0.975 0.030 . 1 . . . . 103 ILE HG2 . 10143 1 1133 . 1 1 103 103 ILE HG23 H 1 0.975 0.030 . 1 . . . . 103 ILE HG2 . 10143 1 1134 . 1 1 103 103 ILE CD1 C 13 15.288 0.300 . 1 . . . . 103 ILE CD1 . 10143 1 1135 . 1 1 103 103 ILE HD11 H 1 0.855 0.030 . 1 . . . . 103 ILE HD1 . 10143 1 1136 . 1 1 103 103 ILE HD12 H 1 0.855 0.030 . 1 . . . . 103 ILE HD1 . 10143 1 1137 . 1 1 103 103 ILE HD13 H 1 0.855 0.030 . 1 . . . . 103 ILE HD1 . 10143 1 1138 . 1 1 103 103 ILE C C 13 173.902 0.300 . 1 . . . . 103 ILE C . 10143 1 1139 . 1 1 103 103 ILE HG12 H 1 1.429 0.030 . 1 . . . . 103 ILE HG12 . 10143 1 1140 . 1 1 104 104 PRO CA C 13 66.456 0.300 . 1 . . . . 104 PRO CA . 10143 1 1141 . 1 1 104 104 PRO HA H 1 4.177 0.030 . 1 . . . . 104 PRO HA . 10143 1 1142 . 1 1 104 104 PRO CB C 13 31.709 0.300 . 1 . . . . 104 PRO CB . 10143 1 1143 . 1 1 104 104 PRO HB3 H 1 1.886 0.030 . 2 . . . . 104 PRO HB3 . 10143 1 1144 . 1 1 104 104 PRO CG C 13 28.686 0.300 . 1 . . . . 104 PRO CG . 10143 1 1145 . 1 1 104 104 PRO HG3 H 1 1.945 0.030 . 2 . . . . 104 PRO HG3 . 10143 1 1146 . 1 1 104 104 PRO CD C 13 50.555 0.300 . 1 . . . . 104 PRO CD . 10143 1 1147 . 1 1 104 104 PRO HD3 H 1 3.698 0.030 . 2 . . . . 104 PRO HD3 . 10143 1 1148 . 1 1 104 104 PRO HB2 H 1 2.358 0.030 . 2 . . . . 104 PRO HB2 . 10143 1 1149 . 1 1 104 104 PRO HD2 H 1 4.379 0.030 . 2 . . . . 104 PRO HD2 . 10143 1 1150 . 1 1 104 104 PRO HG2 H 1 2.312 0.030 . 2 . . . . 104 PRO HG2 . 10143 1 1151 . 1 1 105 105 LEU N N 15 115.386 0.300 . 1 . . . . 105 LEU N . 10143 1 1152 . 1 1 105 105 LEU H H 1 8.464 0.030 . 1 . . . . 105 LEU H . 10143 1 1153 . 1 1 105 105 LEU CA C 13 55.294 0.300 . 1 . . . . 105 LEU CA . 10143 1 1154 . 1 1 105 105 LEU HA H 1 3.845 0.030 . 1 . . . . 105 LEU HA . 10143 1 1155 . 1 1 105 105 LEU CB C 13 39.148 0.300 . 1 . . . . 105 LEU CB . 10143 1 1156 . 1 1 105 105 LEU HB3 H 1 1.287 0.030 . 1 . . . . 105 LEU HB3 . 10143 1 1157 . 1 1 105 105 LEU CG C 13 27.626 0.300 . 1 . . . . 105 LEU CG . 10143 1 1158 . 1 1 105 105 LEU HG H 1 1.487 0.030 . 1 . . . . 105 LEU HG . 10143 1 1159 . 1 1 105 105 LEU CD1 C 13 25.340 0.300 . 2 . . . . 105 LEU CD1 . 10143 1 1160 . 1 1 105 105 LEU HD11 H 1 1.002 0.030 . 1 . . . . 105 LEU HD1 . 10143 1 1161 . 1 1 105 105 LEU HD12 H 1 1.002 0.030 . 1 . . . . 105 LEU HD1 . 10143 1 1162 . 1 1 105 105 LEU HD13 H 1 1.002 0.030 . 1 . . . . 105 LEU HD1 . 10143 1 1163 . 1 1 105 105 LEU CD2 C 13 22.782 0.300 . 2 . . . . 105 LEU CD2 . 10143 1 1164 . 1 1 105 105 LEU HD21 H 1 0.833 0.030 . 1 . . . . 105 LEU HD2 . 10143 1 1165 . 1 1 105 105 LEU HD22 H 1 0.833 0.030 . 1 . . . . 105 LEU HD2 . 10143 1 1166 . 1 1 105 105 LEU HD23 H 1 0.833 0.030 . 1 . . . . 105 LEU HD2 . 10143 1 1167 . 1 1 105 105 LEU HB2 H 1 1.287 0.030 . 1 . . . . 105 LEU HB2 . 10143 1 1168 . 1 1 106 106 SER N N 15 111.669 0.300 . 1 . . . . 106 SER N . 10143 1 1169 . 1 1 106 106 SER H H 1 7.338 0.030 . 1 . . . . 106 SER H . 10143 1 1170 . 1 1 106 106 SER CA C 13 54.750 0.300 . 1 . . . . 106 SER CA . 10143 1 1171 . 1 1 106 106 SER HA H 1 4.347 0.030 . 1 . . . . 106 SER HA . 10143 1 1172 . 1 1 106 106 SER CB C 13 64.133 0.300 . 1 . . . . 106 SER CB . 10143 1 1173 . 1 1 106 106 SER HB3 H 1 4.127 0.030 . 2 . . . . 106 SER HB3 . 10143 1 1174 . 1 1 106 106 SER HB2 H 1 3.693 0.030 . 2 . . . . 106 SER HB2 . 10143 1 1175 . 1 1 107 107 PRO CA C 13 62.344 0.300 . 1 . . . . 107 PRO CA . 10143 1 1176 . 1 1 107 107 PRO HA H 1 5.323 0.030 . 1 . . . . 107 PRO HA . 10143 1 1177 . 1 1 107 107 PRO CB C 13 33.977 0.300 . 1 . . . . 107 PRO CB . 10143 1 1178 . 1 1 107 107 PRO HB3 H 1 2.105 0.030 . 2 . . . . 107 PRO HB3 . 10143 1 1179 . 1 1 107 107 PRO CG C 13 25.052 0.300 . 1 . . . . 107 PRO CG . 10143 1 1180 . 1 1 107 107 PRO HG3 H 1 1.854 0.030 . 1 . . . . 107 PRO HG3 . 10143 1 1181 . 1 1 107 107 PRO CD C 13 50.256 0.300 . 1 . . . . 107 PRO CD . 10143 1 1182 . 1 1 107 107 PRO HD3 H 1 3.475 0.030 . 2 . . . . 107 PRO HD3 . 10143 1 1183 . 1 1 107 107 PRO C C 13 176.003 0.300 . 1 . . . . 107 PRO C . 10143 1 1184 . 1 1 107 107 PRO HB2 H 1 1.635 0.030 . 2 . . . . 107 PRO HB2 . 10143 1 1185 . 1 1 107 107 PRO HD2 H 1 3.404 0.030 . 2 . . . . 107 PRO HD2 . 10143 1 1186 . 1 1 107 107 PRO HG2 H 1 1.854 0.030 . 1 . . . . 107 PRO HG2 . 10143 1 1187 . 1 1 108 108 TYR N N 15 122.832 0.300 . 1 . . . . 108 TYR N . 10143 1 1188 . 1 1 108 108 TYR H H 1 9.294 0.030 . 1 . . . . 108 TYR H . 10143 1 1189 . 1 1 108 108 TYR CA C 13 57.629 0.300 . 1 . . . . 108 TYR CA . 10143 1 1190 . 1 1 108 108 TYR HA H 1 4.428 0.030 . 1 . . . . 108 TYR HA . 10143 1 1191 . 1 1 108 108 TYR CB C 13 40.091 0.300 . 1 . . . . 108 TYR CB . 10143 1 1192 . 1 1 108 108 TYR HB3 H 1 2.736 0.030 . 2 . . . . 108 TYR HB3 . 10143 1 1193 . 1 1 108 108 TYR CD1 C 13 133.150 0.300 . 1 . . . . 108 TYR CD1 . 10143 1 1194 . 1 1 108 108 TYR HD1 H 1 7.049 0.030 . 1 . . . . 108 TYR HD1 . 10143 1 1195 . 1 1 108 108 TYR CD2 C 13 133.150 0.300 . 1 . . . . 108 TYR CD2 . 10143 1 1196 . 1 1 108 108 TYR HD2 H 1 7.049 0.030 . 1 . . . . 108 TYR HD2 . 10143 1 1197 . 1 1 108 108 TYR CE1 C 13 118.212 0.300 . 1 . . . . 108 TYR CE1 . 10143 1 1198 . 1 1 108 108 TYR HE1 H 1 6.480 0.030 . 1 . . . . 108 TYR HE1 . 10143 1 1199 . 1 1 108 108 TYR CE2 C 13 118.212 0.300 . 1 . . . . 108 TYR CE2 . 10143 1 1200 . 1 1 108 108 TYR HE2 H 1 6.480 0.030 . 1 . . . . 108 TYR HE2 . 10143 1 1201 . 1 1 108 108 TYR C C 13 175.851 0.300 . 1 . . . . 108 TYR C . 10143 1 1202 . 1 1 108 108 TYR HB2 H 1 2.688 0.030 . 2 . . . . 108 TYR HB2 . 10143 1 1203 . 1 1 109 109 ARG N N 15 122.941 0.300 . 1 . . . . 109 ARG N . 10143 1 1204 . 1 1 109 109 ARG H H 1 8.746 0.030 . 1 . . . . 109 ARG H . 10143 1 1205 . 1 1 109 109 ARG CA C 13 55.259 0.300 . 1 . . . . 109 ARG CA . 10143 1 1206 . 1 1 109 109 ARG HA H 1 5.189 0.030 . 1 . . . . 109 ARG HA . 10143 1 1207 . 1 1 109 109 ARG CB C 13 30.879 0.300 . 1 . . . . 109 ARG CB . 10143 1 1208 . 1 1 109 109 ARG HB3 H 1 1.722 0.030 . 1 . . . . 109 ARG HB3 . 10143 1 1209 . 1 1 109 109 ARG CG C 13 27.870 0.300 . 1 . . . . 109 ARG CG . 10143 1 1210 . 1 1 109 109 ARG HG3 H 1 1.485 0.030 . 2 . . . . 109 ARG HG3 . 10143 1 1211 . 1 1 109 109 ARG CD C 13 43.532 0.300 . 1 . . . . 109 ARG CD . 10143 1 1212 . 1 1 109 109 ARG HD3 H 1 3.129 0.030 . 1 . . . . 109 ARG HD3 . 10143 1 1213 . 1 1 109 109 ARG C C 13 175.522 0.300 . 1 . . . . 109 ARG C . 10143 1 1214 . 1 1 109 109 ARG HB2 H 1 1.722 0.030 . 1 . . . . 109 ARG HB2 . 10143 1 1215 . 1 1 109 109 ARG HD2 H 1 3.129 0.030 . 1 . . . . 109 ARG HD2 . 10143 1 1216 . 1 1 109 109 ARG HG2 H 1 1.613 0.030 . 2 . . . . 109 ARG HG2 . 10143 1 1217 . 1 1 110 110 ILE N N 15 125.109 0.300 . 1 . . . . 110 ILE N . 10143 1 1218 . 1 1 110 110 ILE H H 1 8.742 0.030 . 1 . . . . 110 ILE H . 10143 1 1219 . 1 1 110 110 ILE CA C 13 57.577 0.300 . 1 . . . . 110 ILE CA . 10143 1 1220 . 1 1 110 110 ILE HA H 1 4.758 0.030 . 1 . . . . 110 ILE HA . 10143 1 1221 . 1 1 110 110 ILE CB C 13 41.138 0.300 . 1 . . . . 110 ILE CB . 10143 1 1222 . 1 1 110 110 ILE HB H 1 1.889 0.030 . 1 . . . . 110 ILE HB . 10143 1 1223 . 1 1 110 110 ILE CG1 C 13 27.040 0.300 . 1 . . . . 110 ILE CG1 . 10143 1 1224 . 1 1 110 110 ILE HG13 H 1 1.313 0.030 . 2 . . . . 110 ILE HG13 . 10143 1 1225 . 1 1 110 110 ILE CG2 C 13 18.968 0.300 . 1 . . . . 110 ILE CG2 . 10143 1 1226 . 1 1 110 110 ILE HG21 H 1 0.865 0.030 . 1 . . . . 110 ILE HG2 . 10143 1 1227 . 1 1 110 110 ILE HG22 H 1 0.865 0.030 . 1 . . . . 110 ILE HG2 . 10143 1 1228 . 1 1 110 110 ILE HG23 H 1 0.865 0.030 . 1 . . . . 110 ILE HG2 . 10143 1 1229 . 1 1 110 110 ILE CD1 C 13 12.524 0.300 . 1 . . . . 110 ILE CD1 . 10143 1 1230 . 1 1 110 110 ILE HD11 H 1 0.615 0.030 . 1 . . . . 110 ILE HD1 . 10143 1 1231 . 1 1 110 110 ILE HD12 H 1 0.615 0.030 . 1 . . . . 110 ILE HD1 . 10143 1 1232 . 1 1 110 110 ILE HD13 H 1 0.615 0.030 . 1 . . . . 110 ILE HD1 . 10143 1 1233 . 1 1 110 110 ILE C C 13 175.121 0.300 . 1 . . . . 110 ILE C . 10143 1 1234 . 1 1 110 110 ILE HG12 H 1 1.351 0.030 . 2 . . . . 110 ILE HG12 . 10143 1 1235 . 1 1 111 111 ARG N N 15 125.357 0.300 . 1 . . . . 111 ARG N . 10143 1 1236 . 1 1 111 111 ARG H H 1 8.776 0.030 . 1 . . . . 111 ARG H . 10143 1 1237 . 1 1 111 111 ARG CA C 13 54.730 0.300 . 1 . . . . 111 ARG CA . 10143 1 1238 . 1 1 111 111 ARG HA H 1 5.053 0.030 . 1 . . . . 111 ARG HA . 10143 1 1239 . 1 1 111 111 ARG CB C 13 32.685 0.300 . 1 . . . . 111 ARG CB . 10143 1 1240 . 1 1 111 111 ARG HB3 H 1 1.798 0.030 . 2 . . . . 111 ARG HB3 . 10143 1 1241 . 1 1 111 111 ARG CG C 13 27.659 0.300 . 1 . . . . 111 ARG CG . 10143 1 1242 . 1 1 111 111 ARG HG3 H 1 1.555 0.030 . 2 . . . . 111 ARG HG3 . 10143 1 1243 . 1 1 111 111 ARG CD C 13 43.449 0.300 . 1 . . . . 111 ARG CD . 10143 1 1244 . 1 1 111 111 ARG HD3 H 1 3.181 0.030 . 1 . . . . 111 ARG HD3 . 10143 1 1245 . 1 1 111 111 ARG C C 13 174.163 0.300 . 1 . . . . 111 ARG C . 10143 1 1246 . 1 1 111 111 ARG HB2 H 1 1.720 0.030 . 2 . . . . 111 ARG HB2 . 10143 1 1247 . 1 1 111 111 ARG HD2 H 1 3.181 0.030 . 1 . . . . 111 ARG HD2 . 10143 1 1248 . 1 1 111 111 ARG HG2 H 1 1.489 0.030 . 2 . . . . 111 ARG HG2 . 10143 1 1249 . 1 1 112 112 ALA N N 15 127.119 0.300 . 1 . . . . 112 ALA N . 10143 1 1250 . 1 1 112 112 ALA H H 1 9.208 0.030 . 1 . . . . 112 ALA H . 10143 1 1251 . 1 1 112 112 ALA CA C 13 49.945 0.300 . 1 . . . . 112 ALA CA . 10143 1 1252 . 1 1 112 112 ALA HA H 1 5.851 0.030 . 1 . . . . 112 ALA HA . 10143 1 1253 . 1 1 112 112 ALA CB C 13 21.329 0.300 . 1 . . . . 112 ALA CB . 10143 1 1254 . 1 1 112 112 ALA HB1 H 1 1.456 0.030 . 1 . . . . 112 ALA HB . 10143 1 1255 . 1 1 112 112 ALA HB2 H 1 1.456 0.030 . 1 . . . . 112 ALA HB . 10143 1 1256 . 1 1 112 112 ALA HB3 H 1 1.456 0.030 . 1 . . . . 112 ALA HB . 10143 1 1257 . 1 1 112 112 ALA C C 13 178.853 0.300 . 1 . . . . 112 ALA C . 10143 1 1258 . 1 1 113 113 THR N N 15 116.033 0.300 . 1 . . . . 113 THR N . 10143 1 1259 . 1 1 113 113 THR H H 1 8.995 0.030 . 1 . . . . 113 THR H . 10143 1 1260 . 1 1 113 113 THR CA C 13 60.312 0.300 . 1 . . . . 113 THR CA . 10143 1 1261 . 1 1 113 113 THR HA H 1 4.695 0.030 . 1 . . . . 113 THR HA . 10143 1 1262 . 1 1 113 113 THR CB C 13 71.251 0.300 . 1 . . . . 113 THR CB . 10143 1 1263 . 1 1 113 113 THR HB H 1 4.263 0.030 . 1 . . . . 113 THR HB . 10143 1 1264 . 1 1 113 113 THR CG2 C 13 21.441 0.300 . 1 . . . . 113 THR CG2 . 10143 1 1265 . 1 1 113 113 THR HG21 H 1 1.143 0.030 . 1 . . . . 113 THR HG2 . 10143 1 1266 . 1 1 113 113 THR HG22 H 1 1.143 0.030 . 1 . . . . 113 THR HG2 . 10143 1 1267 . 1 1 113 113 THR HG23 H 1 1.143 0.030 . 1 . . . . 113 THR HG2 . 10143 1 1268 . 1 1 113 113 THR C C 13 173.710 0.300 . 1 . . . . 113 THR C . 10143 1 1269 . 1 1 114 114 GLN N N 15 122.122 0.300 . 1 . . . . 114 GLN N . 10143 1 1270 . 1 1 114 114 GLN H H 1 8.753 0.030 . 1 . . . . 114 GLN H . 10143 1 1271 . 1 1 114 114 GLN CA C 13 55.817 0.300 . 1 . . . . 114 GLN CA . 10143 1 1272 . 1 1 114 114 GLN HA H 1 4.570 0.030 . 1 . . . . 114 GLN HA . 10143 1 1273 . 1 1 114 114 GLN CB C 13 30.106 0.300 . 1 . . . . 114 GLN CB . 10143 1 1274 . 1 1 114 114 GLN HB3 H 1 2.132 0.030 . 2 . . . . 114 GLN HB3 . 10143 1 1275 . 1 1 114 114 GLN CG C 13 33.723 0.300 . 1 . . . . 114 GLN CG . 10143 1 1276 . 1 1 114 114 GLN HG3 H 1 2.393 0.030 . 1 . . . . 114 GLN HG3 . 10143 1 1277 . 1 1 114 114 GLN NE2 N 15 112.396 0.300 . 1 . . . . 114 GLN NE2 . 10143 1 1278 . 1 1 114 114 GLN HE21 H 1 7.616 0.030 . 2 . . . . 114 GLN HE21 . 10143 1 1279 . 1 1 114 114 GLN HE22 H 1 6.896 0.030 . 2 . . . . 114 GLN HE22 . 10143 1 1280 . 1 1 114 114 GLN C C 13 176.106 0.300 . 1 . . . . 114 GLN C . 10143 1 1281 . 1 1 114 114 GLN HB2 H 1 2.045 0.030 . 2 . . . . 114 GLN HB2 . 10143 1 1282 . 1 1 114 114 GLN HG2 H 1 2.393 0.030 . 1 . . . . 114 GLN HG2 . 10143 1 1283 . 1 1 115 115 THR N N 15 117.345 0.300 . 1 . . . . 115 THR N . 10143 1 1284 . 1 1 115 115 THR H H 1 8.493 0.030 . 1 . . . . 115 THR H . 10143 1 1285 . 1 1 115 115 THR CA C 13 62.328 0.300 . 1 . . . . 115 THR CA . 10143 1 1286 . 1 1 115 115 THR HA H 1 4.351 0.030 . 1 . . . . 115 THR HA . 10143 1 1287 . 1 1 115 115 THR CB C 13 69.874 0.300 . 1 . . . . 115 THR CB . 10143 1 1288 . 1 1 115 115 THR HB H 1 4.224 0.030 . 1 . . . . 115 THR HB . 10143 1 1289 . 1 1 115 115 THR CG2 C 13 21.736 0.300 . 1 . . . . 115 THR CG2 . 10143 1 1290 . 1 1 115 115 THR HG21 H 1 1.246 0.030 . 1 . . . . 115 THR HG2 . 10143 1 1291 . 1 1 115 115 THR HG22 H 1 1.246 0.030 . 1 . . . . 115 THR HG2 . 10143 1 1292 . 1 1 115 115 THR HG23 H 1 1.246 0.030 . 1 . . . . 115 THR HG2 . 10143 1 1293 . 1 1 115 115 THR C C 13 175.158 0.300 . 1 . . . . 115 THR C . 10143 1 1294 . 1 1 116 116 GLY N N 15 111.927 0.300 . 1 . . . . 116 GLY N . 10143 1 1295 . 1 1 116 116 GLY H H 1 8.559 0.030 . 1 . . . . 116 GLY H . 10143 1 1296 . 1 1 116 116 GLY CA C 13 45.315 0.300 . 1 . . . . 116 GLY CA . 10143 1 1297 . 1 1 116 116 GLY HA3 H 1 3.934 0.030 . 2 . . . . 116 GLY HA3 . 10143 1 1298 . 1 1 116 116 GLY C C 13 173.820 0.300 . 1 . . . . 116 GLY C . 10143 1 1299 . 1 1 116 116 GLY HA2 H 1 4.030 0.030 . 2 . . . . 116 GLY HA2 . 10143 1 1300 . 1 1 117 117 ASP N N 15 120.643 0.300 . 1 . . . . 117 ASP N . 10143 1 1301 . 1 1 117 117 ASP H H 1 8.208 0.030 . 1 . . . . 117 ASP H . 10143 1 1302 . 1 1 117 117 ASP CA C 13 54.393 0.300 . 1 . . . . 117 ASP CA . 10143 1 1303 . 1 1 117 117 ASP HA H 1 4.615 0.030 . 1 . . . . 117 ASP HA . 10143 1 1304 . 1 1 117 117 ASP CB C 13 41.388 0.300 . 1 . . . . 117 ASP CB . 10143 1 1305 . 1 1 117 117 ASP HB3 H 1 2.726 0.030 . 2 . . . . 117 ASP HB3 . 10143 1 1306 . 1 1 117 117 ASP C C 13 175.973 0.300 . 1 . . . . 117 ASP C . 10143 1 1307 . 1 1 117 117 ASP HB2 H 1 2.637 0.030 . 2 . . . . 117 ASP HB2 . 10143 1 1308 . 1 1 118 118 ALA N N 15 124.934 0.300 . 1 . . . . 118 ALA N . 10143 1 1309 . 1 1 118 118 ALA H H 1 8.312 0.030 . 1 . . . . 118 ALA H . 10143 1 1310 . 1 1 118 118 ALA CA C 13 52.447 0.300 . 1 . . . . 118 ALA CA . 10143 1 1311 . 1 1 118 118 ALA HA H 1 4.415 0.030 . 1 . . . . 118 ALA HA . 10143 1 1312 . 1 1 118 118 ALA CB C 13 19.339 0.300 . 1 . . . . 118 ALA CB . 10143 1 1313 . 1 1 118 118 ALA HB1 H 1 1.406 0.030 . 1 . . . . 118 ALA HB . 10143 1 1314 . 1 1 118 118 ALA HB2 H 1 1.406 0.030 . 1 . . . . 118 ALA HB . 10143 1 1315 . 1 1 118 118 ALA HB3 H 1 1.406 0.030 . 1 . . . . 118 ALA HB . 10143 1 1316 . 1 1 118 118 ALA C C 13 176.848 0.300 . 1 . . . . 118 ALA C . 10143 1 1317 . 1 1 119 119 SER N N 15 121.187 0.300 . 1 . . . . 119 SER N . 10143 1 1318 . 1 1 119 119 SER H H 1 7.967 0.030 . 1 . . . . 119 SER H . 10143 1 1319 . 1 1 119 119 SER CA C 13 60.160 0.300 . 1 . . . . 119 SER CA . 10143 1 1320 . 1 1 119 119 SER HA H 1 4.233 0.030 . 1 . . . . 119 SER HA . 10143 1 1321 . 1 1 119 119 SER CB C 13 64.871 0.300 . 1 . . . . 119 SER CB . 10143 1 1322 . 1 1 119 119 SER HB3 H 1 3.852 0.030 . 1 . . . . 119 SER HB3 . 10143 1 1323 . 1 1 119 119 SER C C 13 178.832 0.300 . 1 . . . . 119 SER C . 10143 1 1324 . 1 1 119 119 SER HB2 H 1 3.852 0.030 . 1 . . . . 119 SER HB2 . 10143 1 stop_ save_