data_16305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16305 _Entry.Title ; 1H, 13C and 15N assignments of a camelid nanobody directed against human alpha-synuclein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-18 _Entry.Accession_date 2009-05-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Anneleen Vuchelen . . . 16305 2 Elizabeth O'Day . . . 16305 3 Danny Hsu . . . 16305 4 Erwin 'De Genst' . . . 16305 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, University of Cambridge' . 16305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 16305 '15N chemical shifts' 130 16305 '1H chemical shifts' 703 16305 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 2 . . 2009-11-25 2009-05-18 update BMRB 'complete entry citation' 16305 1 . . 2009-10-14 2009-05-18 original author 'original release' 16305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19763886 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N assignments of a camelid nanobody directed against human alpha-synuclein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _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 231 _Citation.Page_last 233 _Citation.Year 2009 _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 Anneleen Vuchelen . . . 16305 1 2 Elizabeth O'Day . . . 16305 1 3 Erwin 'De Genst' . . . 16305 1 4 Els Pardon . . . 16305 1 5 Lode Wyns . . . 16305 1 6 Mireille Dumoulin . . . 16305 1 7 Chris Dobson . . . 16305 1 8 John Christodoulou . . . 16305 1 9 Danny Hsu . . . 16305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16305 _Assembly.ID 1 _Assembly.Name 'NbSyn2 Monomer' _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 NbSyn2 1 $NbSyn2 A . yes native no no . . . 16305 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 97 97 SG . . . . . . . . . . 16305 1 2 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 106 106 SG . . . . . . . . . . 16305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NbSyn2 _Entity.Sf_category entity _Entity.Sf_framecode NbSyn2 _Entity.Entry_ID 16305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NbSyn2 _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 ; QGQLVESGGGSVQAGGSLRL SCAASGIDSSSYCMGWFRQR PGKEREGVARINGLGGVKTA YADSVKDRFTISRDNAENTV YLQMNSLKPEDTAIYYCAAK FSPGYCGGSWSNFGYWGQGT QVTVSSHHHHHH ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14440.9 _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 2X6M . "Structure Of A Single Domain Camelid Antibody Fragment In Complex With A C-Terminal Peptide Of Alpha-Synuclein" . . . . . 95.45 126 100.00 100.00 1.28e-86 . . . . 16305 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Antibody fragment from Camel' 16305 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 . GLN . 16305 1 2 . GLY . 16305 1 3 . GLN . 16305 1 4 . LEU . 16305 1 5 . VAL . 16305 1 6 . GLU . 16305 1 7 . SER . 16305 1 8 . GLY . 16305 1 9 . GLY . 16305 1 10 . GLY . 16305 1 11 . SER . 16305 1 12 . VAL . 16305 1 13 . GLN . 16305 1 14 . ALA . 16305 1 15 . GLY . 16305 1 16 . GLY . 16305 1 17 . SER . 16305 1 18 . LEU . 16305 1 19 . ARG . 16305 1 20 . LEU . 16305 1 21 . SER . 16305 1 22 . CYS . 16305 1 23 . ALA . 16305 1 24 . ALA . 16305 1 25 . SER . 16305 1 26 . GLY . 16305 1 27 . ILE . 16305 1 28 . ASP . 16305 1 29 . SER . 16305 1 30 . SER . 16305 1 31 . SER . 16305 1 32 . TYR . 16305 1 33 . CYS . 16305 1 34 . MET . 16305 1 35 . GLY . 16305 1 36 . TRP . 16305 1 37 . PHE . 16305 1 38 . ARG . 16305 1 39 . GLN . 16305 1 40 . ARG . 16305 1 41 . PRO . 16305 1 42 . GLY . 16305 1 43 . LYS . 16305 1 44 . GLU . 16305 1 45 . ARG . 16305 1 46 . GLU . 16305 1 47 . GLY . 16305 1 48 . VAL . 16305 1 49 . ALA . 16305 1 50 . ARG . 16305 1 51 . ILE . 16305 1 52 . ASN . 16305 1 53 . GLY . 16305 1 54 . LEU . 16305 1 55 . GLY . 16305 1 56 . GLY . 16305 1 57 . VAL . 16305 1 58 . LYS . 16305 1 59 . THR . 16305 1 60 . ALA . 16305 1 61 . TYR . 16305 1 62 . ALA . 16305 1 63 . ASP . 16305 1 64 . SER . 16305 1 65 . VAL . 16305 1 66 . LYS . 16305 1 67 . ASP . 16305 1 68 . ARG . 16305 1 69 . PHE . 16305 1 70 . THR . 16305 1 71 . ILE . 16305 1 72 . SER . 16305 1 73 . ARG . 16305 1 74 . ASP . 16305 1 75 . ASN . 16305 1 76 . ALA . 16305 1 77 . GLU . 16305 1 78 . ASN . 16305 1 79 . THR . 16305 1 80 . VAL . 16305 1 81 . TYR . 16305 1 82 . LEU . 16305 1 83 . GLN . 16305 1 84 . MET . 16305 1 85 . ASN . 16305 1 86 . SER . 16305 1 87 . LEU . 16305 1 88 . LYS . 16305 1 89 . PRO . 16305 1 90 . GLU . 16305 1 91 . ASP . 16305 1 92 . THR . 16305 1 93 . ALA . 16305 1 94 . ILE . 16305 1 95 . TYR . 16305 1 96 . TYR . 16305 1 97 . CYS . 16305 1 98 . ALA . 16305 1 99 . ALA . 16305 1 100 . LYS . 16305 1 101 . PHE . 16305 1 102 . SER . 16305 1 103 . PRO . 16305 1 104 . GLY . 16305 1 105 . TYR . 16305 1 106 . CYS . 16305 1 107 . GLY . 16305 1 108 . GLY . 16305 1 109 . SER . 16305 1 110 . TRP . 16305 1 111 . SER . 16305 1 112 . ASN . 16305 1 113 . PHE . 16305 1 114 . GLY . 16305 1 115 . TYR . 16305 1 116 . TRP . 16305 1 117 . GLY . 16305 1 118 . GLN . 16305 1 119 . GLY . 16305 1 120 . THR . 16305 1 121 . GLN . 16305 1 122 . VAL . 16305 1 123 . THR . 16305 1 124 . VAL . 16305 1 125 . SER . 16305 1 126 . SER . 16305 1 127 . HIS . 16305 1 128 . HIS . 16305 1 129 . HIS . 16305 1 130 . HIS . 16305 1 131 . HIS . 16305 1 132 . HIS . 16305 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 . GLN 1 1 16305 1 . GLY 2 2 16305 1 . GLN 3 3 16305 1 . LEU 4 4 16305 1 . VAL 5 5 16305 1 . GLU 6 6 16305 1 . SER 7 7 16305 1 . GLY 8 8 16305 1 . GLY 9 9 16305 1 . GLY 10 10 16305 1 . SER 11 11 16305 1 . VAL 12 12 16305 1 . GLN 13 13 16305 1 . ALA 14 14 16305 1 . GLY 15 15 16305 1 . GLY 16 16 16305 1 . SER 17 17 16305 1 . LEU 18 18 16305 1 . ARG 19 19 16305 1 . LEU 20 20 16305 1 . SER 21 21 16305 1 . CYS 22 22 16305 1 . ALA 23 23 16305 1 . ALA 24 24 16305 1 . SER 25 25 16305 1 . GLY 26 26 16305 1 . ILE 27 27 16305 1 . ASP 28 28 16305 1 . SER 29 29 16305 1 . SER 30 30 16305 1 . SER 31 31 16305 1 . TYR 32 32 16305 1 . CYS 33 33 16305 1 . MET 34 34 16305 1 . GLY 35 35 16305 1 . TRP 36 36 16305 1 . PHE 37 37 16305 1 . ARG 38 38 16305 1 . GLN 39 39 16305 1 . ARG 40 40 16305 1 . PRO 41 41 16305 1 . GLY 42 42 16305 1 . LYS 43 43 16305 1 . GLU 44 44 16305 1 . ARG 45 45 16305 1 . GLU 46 46 16305 1 . GLY 47 47 16305 1 . VAL 48 48 16305 1 . ALA 49 49 16305 1 . ARG 50 50 16305 1 . ILE 51 51 16305 1 . ASN 52 52 16305 1 . GLY 53 53 16305 1 . LEU 54 54 16305 1 . GLY 55 55 16305 1 . GLY 56 56 16305 1 . VAL 57 57 16305 1 . LYS 58 58 16305 1 . THR 59 59 16305 1 . ALA 60 60 16305 1 . TYR 61 61 16305 1 . ALA 62 62 16305 1 . ASP 63 63 16305 1 . SER 64 64 16305 1 . VAL 65 65 16305 1 . LYS 66 66 16305 1 . ASP 67 67 16305 1 . ARG 68 68 16305 1 . PHE 69 69 16305 1 . THR 70 70 16305 1 . ILE 71 71 16305 1 . SER 72 72 16305 1 . ARG 73 73 16305 1 . ASP 74 74 16305 1 . ASN 75 75 16305 1 . ALA 76 76 16305 1 . GLU 77 77 16305 1 . ASN 78 78 16305 1 . THR 79 79 16305 1 . VAL 80 80 16305 1 . TYR 81 81 16305 1 . LEU 82 82 16305 1 . GLN 83 83 16305 1 . MET 84 84 16305 1 . ASN 85 85 16305 1 . SER 86 86 16305 1 . LEU 87 87 16305 1 . LYS 88 88 16305 1 . PRO 89 89 16305 1 . GLU 90 90 16305 1 . ASP 91 91 16305 1 . THR 92 92 16305 1 . ALA 93 93 16305 1 . ILE 94 94 16305 1 . TYR 95 95 16305 1 . TYR 96 96 16305 1 . CYS 97 97 16305 1 . ALA 98 98 16305 1 . ALA 99 99 16305 1 . LYS 100 100 16305 1 . PHE 101 101 16305 1 . SER 102 102 16305 1 . PRO 103 103 16305 1 . GLY 104 104 16305 1 . TYR 105 105 16305 1 . CYS 106 106 16305 1 . GLY 107 107 16305 1 . GLY 108 108 16305 1 . SER 109 109 16305 1 . TRP 110 110 16305 1 . SER 111 111 16305 1 . ASN 112 112 16305 1 . PHE 113 113 16305 1 . GLY 114 114 16305 1 . TYR 115 115 16305 1 . TRP 116 116 16305 1 . GLY 117 117 16305 1 . GLN 118 118 16305 1 . GLY 119 119 16305 1 . THR 120 120 16305 1 . GLN 121 121 16305 1 . VAL 122 122 16305 1 . THR 123 123 16305 1 . VAL 124 124 16305 1 . SER 125 125 16305 1 . SER 126 126 16305 1 . HIS 127 127 16305 1 . HIS 128 128 16305 1 . HIS 129 129 16305 1 . HIS 130 130 16305 1 . HIS 131 131 16305 1 . HIS 132 132 16305 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 16305 _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 $NbSyn2 . 9844 organism . 'Lama glama' 'even-toed ungulates' . . Eukaryota Metazoa Lama glama . . . . . . . . . . . . . . . . . . . . . 16305 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 16305 _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 $NbSyn2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli WK6 . . . . . . . . . . . . . . . pET22b . . . . . . 16305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16305 _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 NbSyn2 '[U-95% 13C; U-95% 15N]' . . 1 $NbSyn2 . . 300 . . uM . . . . 16305 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16305 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16305 1 4 'sodium acetate' 'natural abundance' . . . . . . 10 . . % . . . . 16305 1 stop_ save_ ####################### # Sample conditions # ####################### save_NbSyn2_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode NbSyn2_conditions _Sample_condition_list.Entry_ID 16305 _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' 20 . mM 16305 1 pH 4.8 . pH 16305 1 pressure 1 . atm 16305 1 temperature 298 . K 16305 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16305 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16305 1 'peak picking' 16305 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16305 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16305 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16305 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16305 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16305 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16305 3 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 16305 _Software.ID 4 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jung, YS and Zweckstetter, M' . . 16305 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16305 4 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 16305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16305 _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 . 700 . . . 16305 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 16305 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 2 '3D NOESY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 3 '3D TOCSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $NbSyn2_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16305 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16305 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 16305 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16305 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16305 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NbSyn2_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 HNCO' . . . 16305 1 2 '3D NOESY HSQC' . . . 16305 1 3 '3D TOCSY HSQC' . . . 16305 1 4 '2D 1H-15N HSQC' . . . 16305 1 5 '2D 1H-13C HSQC' . . . 16305 1 6 '3D HCCH-TOCSY' . . . 16305 1 7 '3D HNCA' . . . 16305 1 8 '3D HNCACB' . . . 16305 1 9 '3D CBCA(CO)NH' . . . 16305 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.610 0.01 1 1 . . . . 1 Q HA . 16305 1 2 . 1 1 1 1 GLN HE21 H 1 7.130 0.01 3 5 . . . . 1 Q HE21 . 16305 1 3 . 1 1 1 1 GLN HE22 H 1 7.819 0.01 2 5 . . . . 1 Q HE22 . 16305 1 4 . 1 1 1 1 GLN C C 13 172.543 0.03 1 1 . . . . 1 Q C . 16305 1 5 . 1 1 1 1 GLN CA C 13 55.683 0.03 1 1 . . . . 1 Q CA . 16305 1 6 . 1 1 1 1 GLN NE2 N 15 111.978 0.05 5 5 . . . . 1 Q NE2 . 16305 1 7 . 1 1 2 2 GLY H H 1 8.542 0.01 1 1 . . . . 2 G H . 16305 1 8 . 1 1 2 2 GLY HA2 H 1 4.254 0.01 1 2 . . . . 2 G HA2 . 16305 1 9 . 1 1 2 2 GLY HA3 H 1 3.374 0.01 1 2 . . . . 2 G HA3 . 16305 1 10 . 1 1 2 2 GLY C C 13 172.318 0.03 1 1 . . . . 2 G C . 16305 1 11 . 1 1 2 2 GLY CA C 13 45.313 0.03 2 1 . . . . 2 G CA . 16305 1 12 . 1 1 2 2 GLY N N 15 111.205 0.05 1 1 . . . . 2 G N . 16305 1 13 . 1 1 3 3 GLN H H 1 8.634 0.01 1 1 . . . . 3 Q H . 16305 1 14 . 1 1 3 3 GLN HA H 1 4.578 0.01 1 1 . . . . 3 Q HA . 16305 1 15 . 1 1 3 3 GLN HB2 H 1 2.298 0.01 1 2 . . . . 3 Q HB . 16305 1 16 . 1 1 3 3 GLN HB3 H 1 2.298 0.01 1 2 . . . . 3 Q HB . 16305 1 17 . 1 1 3 3 GLN HE21 H 1 7.130 0.01 3 5 . . . . 3 Q HE21 . 16305 1 18 . 1 1 3 3 GLN HE22 H 1 7.819 0.01 2 5 . . . . 3 Q HE22 . 16305 1 19 . 1 1 3 3 GLN C C 13 173.495 0.03 1 1 . . . . 3 Q C . 16305 1 20 . 1 1 3 3 GLN CA C 13 55.650 0.03 1 1 . . . . 3 Q CA . 16305 1 21 . 1 1 3 3 GLN CB C 13 31.981 0.03 1 1 . . . . 3 Q CB . 16305 1 22 . 1 1 3 3 GLN N N 15 120.676 0.05 1 1 . . . . 3 Q N . 16305 1 23 . 1 1 3 3 GLN NE2 N 15 111.978 0.05 5 5 . . . . 3 Q NE2 . 16305 1 24 . 1 1 4 4 LEU H H 1 8.445 0.01 1 1 . . . . 4 L H . 16305 1 25 . 1 1 4 4 LEU HA H 1 4.926 0.01 1 1 . . . . 4 L HA . 16305 1 26 . 1 1 4 4 LEU HB2 H 1 1.452 0.01 1 2 . . . . 4 L HB2 . 16305 1 27 . 1 1 4 4 LEU HB3 H 1 1.047 0.01 1 2 . . . . 4 L HB3 . 16305 1 28 . 1 1 4 4 LEU HG H 1 0.477 0.01 1 1 . . . . 4 L HG . 16305 1 29 . 1 1 4 4 LEU C C 13 176.287 0.03 1 1 . . . . 4 L C . 16305 1 30 . 1 1 4 4 LEU CA C 13 53.628 0.03 1 1 . . . . 4 L CA . 16305 1 31 . 1 1 4 4 LEU CB C 13 43.643 0.03 2 1 . . . . 4 L CB . 16305 1 32 . 1 1 4 4 LEU CD1 C 13 23.617 0.03 1 1 . . . . 4 L CD . 16305 1 33 . 1 1 4 4 LEU CD2 C 13 23.617 0.03 1 1 . . . . 4 L CD . 16305 1 34 . 1 1 4 4 LEU CG C 13 25.696 0.03 1 1 . . . . 4 L CG . 16305 1 35 . 1 1 4 4 LEU N N 15 122.547 0.05 1 1 . . . . 4 L N . 16305 1 36 . 1 1 4 4 LEU HD11 H 1 0.510 0.01 1 1 . . . . 4 L HD11 . 16305 1 37 . 1 1 4 4 LEU HD12 H 1 0.510 0.01 1 1 . . . . 4 L HD12 . 16305 1 38 . 1 1 4 4 LEU HD13 H 1 0.510 0.01 1 1 . . . . 4 L HD13 . 16305 1 39 . 1 1 4 4 LEU HD21 H 1 0.510 0.01 1 1 . . . . 4 L HD21 . 16305 1 40 . 1 1 4 4 LEU HD22 H 1 0.510 0.01 1 1 . . . . 4 L HD22 . 16305 1 41 . 1 1 4 4 LEU HD23 H 1 0.510 0.01 1 1 . . . . 4 L HD23 . 16305 1 42 . 1 1 5 5 VAL H H 1 8.338 0.01 1 1 . . . . 5 V H . 16305 1 43 . 1 1 5 5 VAL HA H 1 4.408 0.01 1 1 . . . . 5 V HA . 16305 1 44 . 1 1 5 5 VAL HB H 1 2.033 0.01 1 1 . . . . 5 V HB . 16305 1 45 . 1 1 5 5 VAL C C 13 176.543 0.03 1 1 . . . . 5 V C . 16305 1 46 . 1 1 5 5 VAL CA C 13 62.302 0.03 1 1 . . . . 5 V CA . 16305 1 47 . 1 1 5 5 VAL CB C 13 35.385 0.03 1 1 . . . . 5 V CB . 16305 1 48 . 1 1 5 5 VAL CG1 C 13 20.671 0.03 1 2 . . . . 5 V CG1 . 16305 1 49 . 1 1 5 5 VAL CG2 C 13 20.671 0.03 1 2 . . . . 5 V CG2 . 16305 1 50 . 1 1 5 5 VAL N N 15 120.290 0.05 1 1 . . . . 5 V N . 16305 1 51 . 1 1 5 5 VAL HG11 H 1 0.973 0.01 1 2 . . . . 5 V HG11 . 16305 1 52 . 1 1 5 5 VAL HG12 H 1 0.973 0.01 1 2 . . . . 5 V HG12 . 16305 1 53 . 1 1 5 5 VAL HG13 H 1 0.973 0.01 1 2 . . . . 5 V HG13 . 16305 1 54 . 1 1 5 5 VAL HG21 H 1 0.973 0.01 1 2 . . . . 5 V HG21 . 16305 1 55 . 1 1 5 5 VAL HG22 H 1 0.973 0.01 1 2 . . . . 5 V HG22 . 16305 1 56 . 1 1 5 5 VAL HG23 H 1 0.973 0.01 1 2 . . . . 5 V HG23 . 16305 1 57 . 1 1 6 6 GLU H H 1 10.008 0.01 1 1 . . . . 6 E H . 16305 1 58 . 1 1 6 6 GLU HA H 1 5.742 0.01 1 1 . . . . 6 E HA . 16305 1 59 . 1 1 6 6 GLU HB2 H 1 2.229 0.01 1 2 . . . . 6 E HB . 16305 1 60 . 1 1 6 6 GLU HB3 H 1 2.229 0.01 1 2 . . . . 6 E HB . 16305 1 61 . 1 1 6 6 GLU HG2 H 1 2.392 0.01 1 2 . . . . 6 E HG . 16305 1 62 . 1 1 6 6 GLU HG3 H 1 2.392 0.01 1 2 . . . . 6 E HG . 16305 1 63 . 1 1 6 6 GLU C C 13 177.158 0.03 1 1 . . . . 6 E C . 16305 1 64 . 1 1 6 6 GLU CA C 13 56.804 0.03 1 1 . . . . 6 E CA . 16305 1 65 . 1 1 6 6 GLU CB C 13 31.136 0.03 1 1 . . . . 6 E CB . 16305 1 66 . 1 1 6 6 GLU CG C 13 37.317 0.03 1 1 . . . . 6 E CG . 16305 1 67 . 1 1 6 6 GLU N N 15 130.899 0.05 1 1 . . . . 6 E N . 16305 1 68 . 1 1 7 7 SER H H 1 9.416 0.01 1 1 . . . . 7 S H . 16305 1 69 . 1 1 7 7 SER HA H 1 4.826 0.01 1 1 . . . . 7 S HA . 16305 1 70 . 1 1 7 7 SER HB2 H 1 3.941 0.01 1 2 . . . . 7 S HB . 16305 1 71 . 1 1 7 7 SER HB3 H 1 3.941 0.01 1 2 . . . . 7 S HB . 16305 1 72 . 1 1 7 7 SER C C 13 173.708 0.03 1 1 . . . . 7 S C . 16305 1 73 . 1 1 7 7 SER CA C 13 58.190 0.03 1 1 . . . . 7 S CA . 16305 1 74 . 1 1 7 7 SER CB C 13 65.735 0.03 1 1 . . . . 7 S CB . 16305 1 75 . 1 1 7 7 SER N N 15 114.977 0.05 1 1 . . . . 7 S N . 16305 1 76 . 1 1 8 8 GLY H H 1 8.679 0.01 1 1 . . . . 8 G H . 16305 1 77 . 1 1 8 8 GLY HA2 H 1 4.672 0.01 1 2 . . . . 8 G HA2 . 16305 1 78 . 1 1 8 8 GLY HA3 H 1 3.775 0.01 1 2 . . . . 8 G HA3 . 16305 1 79 . 1 1 8 8 GLY C C 13 174.575 0.03 1 1 . . . . 8 G C . 16305 1 80 . 1 1 8 8 GLY CA C 13 45.019 0.03 2 1 . . . . 8 G CA . 16305 1 81 . 1 1 8 8 GLY N N 15 107.896 0.05 1 1 . . . . 8 G N . 16305 1 82 . 1 1 9 9 GLY H H 1 7.687 0.01 1 1 . . . . 9 G H . 16305 1 83 . 1 1 9 9 GLY HA2 H 1 4.089 0.01 1 5 . . . . 9 G HA2 . 16305 1 84 . 1 1 9 9 GLY HA3 H 1 3.535 0.01 1 2 . . . . 9 G HA3 . 16305 1 85 . 1 1 9 9 GLY C C 13 173.131 0.03 1 1 . . . . 9 G C . 16305 1 86 . 1 1 9 9 GLY CA C 13 45.658 0.03 2 5 . . . . 9 G CA . 16305 1 87 . 1 1 9 9 GLY N N 15 106.073 0.05 1 1 . . . . 9 G N . 16305 1 88 . 1 1 10 10 GLY H H 1 7.528 0.01 1 1 . . . . 10 G H . 16305 1 89 . 1 1 10 10 GLY HA2 H 1 4.214 0.01 1 2 . . . . 10 G HA2 . 16305 1 90 . 1 1 10 10 GLY HA3 H 1 3.985 0.01 1 2 . . . . 10 G HA3 . 16305 1 91 . 1 1 10 10 GLY C C 13 171.722 0.03 1 1 . . . . 10 G C . 16305 1 92 . 1 1 10 10 GLY CA C 13 44.945 0.03 2 1 . . . . 10 G CA . 16305 1 93 . 1 1 10 10 GLY N N 15 106.992 0.05 1 1 . . . . 10 G N . 16305 1 94 . 1 1 11 11 SER H H 1 8.394 0.01 1 1 . . . . 11 S H . 16305 1 95 . 1 1 11 11 SER HA H 1 5.606 0.01 1 1 . . . . 11 S HA . 16305 1 96 . 1 1 11 11 SER HB2 H 1 3.757 0.01 1 2 . . . . 11 S HB2 . 16305 1 97 . 1 1 11 11 SER HB3 H 1 3.704 0.01 1 5 . . . . 11 S HB3 . 16305 1 98 . 1 1 11 11 SER C C 13 174.592 0.03 1 1 . . . . 11 S C . 16305 1 99 . 1 1 11 11 SER CA C 13 56.601 0.03 1 1 . . . . 11 S CA . 16305 1 100 . 1 1 11 11 SER CB C 13 64.368 0.03 2 5 . . . . 11 S CB . 16305 1 101 . 1 1 11 11 SER N N 15 115.812 0.05 1 1 . . . . 11 S N . 16305 1 102 . 1 1 12 12 VAL H H 1 8.865 0.01 1 1 . . . . 12 V H . 16305 1 103 . 1 1 12 12 VAL HA H 1 4.585 0.01 1 1 . . . . 12 V HA . 16305 1 104 . 1 1 12 12 VAL HB H 1 2.040 0.01 1 1 . . . . 12 V HB . 16305 1 105 . 1 1 12 12 VAL C C 13 174.116 0.03 1 1 . . . . 12 V C . 16305 1 106 . 1 1 12 12 VAL CA C 13 59.481 0.03 1 1 . . . . 12 V CA . 16305 1 107 . 1 1 12 12 VAL CB C 13 35.820 0.03 1 1 . . . . 12 V CB . 16305 1 108 . 1 1 12 12 VAL CG1 C 13 20.486 0.03 1 4 . . . . 12 V CG1 . 16305 1 109 . 1 1 12 12 VAL CG2 C 13 20.486 0.03 1 4 . . . . 12 V CG2 . 16305 1 110 . 1 1 12 12 VAL N N 15 121.857 0.05 1 1 . . . . 12 V N . 16305 1 111 . 1 1 12 12 VAL HG11 H 1 0.793 0.01 1 4 . . . . 12 V HG11 . 16305 1 112 . 1 1 12 12 VAL HG12 H 1 0.793 0.01 1 4 . . . . 12 V HG12 . 16305 1 113 . 1 1 12 12 VAL HG13 H 1 0.793 0.01 1 4 . . . . 12 V HG13 . 16305 1 114 . 1 1 12 12 VAL HG21 H 1 0.793 0.01 1 4 . . . . 12 V HG21 . 16305 1 115 . 1 1 12 12 VAL HG22 H 1 0.793 0.01 1 4 . . . . 12 V HG22 . 16305 1 116 . 1 1 12 12 VAL HG23 H 1 0.793 0.01 1 4 . . . . 12 V HG23 . 16305 1 117 . 1 1 13 13 GLN H H 1 8.364 0.01 1 1 . . . . 13 Q H . 16305 1 118 . 1 1 13 13 GLN HA H 1 4.592 0.01 1 1 . . . . 13 Q HA . 16305 1 119 . 1 1 13 13 GLN HB2 H 1 1.971 0.01 1 2 . . . . 13 Q HB2 . 16305 1 120 . 1 1 13 13 GLN HB3 H 1 1.687 0.01 1 5 . . . . 13 Q HB3 . 16305 1 121 . 1 1 13 13 GLN HE21 H 1 7.130 0.01 3 5 . . . . 13 Q HE21 . 16305 1 122 . 1 1 13 13 GLN HE22 H 1 7.819 0.01 2 5 . . . . 13 Q HE22 . 16305 1 123 . 1 1 13 13 GLN HG2 H 1 2.364 0.01 1 2 . . . . 13 Q HG2 . 16305 1 124 . 1 1 13 13 GLN C C 13 176.061 0.03 1 1 . . . . 13 Q C . 16305 1 125 . 1 1 13 13 GLN CA C 13 54.828 0.03 1 1 . . . . 13 Q CA . 16305 1 126 . 1 1 13 13 GLN CB C 13 29.749 0.03 1 5 . . . . 13 Q CB . 16305 1 127 . 1 1 13 13 GLN CG C 13 33.746 0.03 1 1 . . . . 13 Q CG . 16305 1 128 . 1 1 13 13 GLN N N 15 122.513 0.05 1 1 . . . . 13 Q N . 16305 1 129 . 1 1 13 13 GLN NE2 N 15 111.978 0.05 5 5 . . . . 13 Q NE2 . 16305 1 130 . 1 1 14 14 ALA H H 1 8.118 0.01 1 1 . . . . 14 A H . 16305 1 131 . 1 1 14 14 ALA HA H 1 3.637 0.01 1 1 . . . . 14 A HA . 16305 1 132 . 1 1 14 14 ALA HB1 H 1 1.295 0.01 1 1 . . . . 14 A MB . 16305 1 133 . 1 1 14 14 ALA HB2 H 1 1.295 0.01 1 1 . . . . 14 A MB . 16305 1 134 . 1 1 14 14 ALA HB3 H 1 1.295 0.01 1 1 . . . . 14 A MB . 16305 1 135 . 1 1 14 14 ALA C C 13 178.153 0.03 1 1 . . . . 14 A C . 16305 1 136 . 1 1 14 14 ALA CA C 13 53.700 0.03 1 1 . . . . 14 A CA . 16305 1 137 . 1 1 14 14 ALA CB C 13 17.809 0.03 1 1 . . . . 14 A CB . 16305 1 138 . 1 1 14 14 ALA N N 15 123.771 0.05 1 1 . . . . 14 A N . 16305 1 139 . 1 1 15 15 GLY H H 1 9.775 0.01 1 1 . . . . 15 G H . 16305 1 140 . 1 1 15 15 GLY HA2 H 1 4.447 0.01 1 2 . . . . 15 G HA2 . 16305 1 141 . 1 1 15 15 GLY HA3 H 1 3.561 0.01 1 2 . . . . 15 G HA3 . 16305 1 142 . 1 1 15 15 GLY C C 13 175.460 0.03 1 1 . . . . 15 G C . 16305 1 143 . 1 1 15 15 GLY CA C 13 44.914 0.03 2 1 . . . . 15 G CA . 16305 1 144 . 1 1 15 15 GLY N N 15 113.197 0.05 1 1 . . . . 15 G N . 16305 1 145 . 1 1 16 16 GLY H H 1 8.413 0.01 1 1 . . . . 16 G H . 16305 1 146 . 1 1 16 16 GLY HA2 H 1 4.341 0.01 1 2 . . . . 16 G HA2 . 16305 1 147 . 1 1 16 16 GLY HA3 H 1 3.764 0.01 1 2 . . . . 16 G HA3 . 16305 1 148 . 1 1 16 16 GLY C C 13 170.693 0.03 1 1 . . . . 16 G C . 16305 1 149 . 1 1 16 16 GLY CA C 13 44.602 0.03 2 1 . . . . 16 G CA . 16305 1 150 . 1 1 16 16 GLY N N 15 109.411 0.05 1 1 . . . . 16 G N . 16305 1 151 . 1 1 17 17 SER H H 1 7.918 0.01 1 1 . . . . 17 S H . 16305 1 152 . 1 1 17 17 SER HA H 1 5.577 0.01 1 1 . . . . 17 S HA . 16305 1 153 . 1 1 17 17 SER HB2 H 1 3.810 0.01 1 2 . . . . 17 S HB2 . 16305 1 154 . 1 1 17 17 SER HB3 H 1 3.687 0.01 1 2 . . . . 17 S HB3 . 16305 1 155 . 1 1 17 17 SER C C 13 173.185 0.03 1 1 . . . . 17 S C . 16305 1 156 . 1 1 17 17 SER CA C 13 56.545 0.03 1 1 . . . . 17 S CA . 16305 1 157 . 1 1 17 17 SER CB C 13 67.399 0.03 2 1 . . . . 17 S CB . 16305 1 158 . 1 1 17 17 SER N N 15 110.249 0.05 1 1 . . . . 17 S N . 16305 1 159 . 1 1 18 18 LEU H H 1 8.594 0.01 1 1 . . . . 18 L H . 16305 1 160 . 1 1 18 18 LEU HA H 1 4.365 0.01 1 1 . . . . 18 L HA . 16305 1 161 . 1 1 18 18 LEU HB2 H 1 1.274 0.01 1 2 . . . . 18 L HB . 16305 1 162 . 1 1 18 18 LEU HB3 H 1 1.274 0.01 1 2 . . . . 18 L HB . 16305 1 163 . 1 1 18 18 LEU HD21 H 1 0.723 0.01 1 2 . . . . 18 L MD2 . 16305 1 164 . 1 1 18 18 LEU HD22 H 1 0.723 0.01 1 2 . . . . 18 L MD2 . 16305 1 165 . 1 1 18 18 LEU HD23 H 1 0.723 0.01 1 2 . . . . 18 L MD2 . 16305 1 166 . 1 1 18 18 LEU HG H 1 1.264 0.01 1 5 . . . . 18 L HG . 16305 1 167 . 1 1 18 18 LEU C C 13 173.529 0.03 1 1 . . . . 18 L C . 16305 1 168 . 1 1 18 18 LEU CA C 13 54.604 0.03 1 1 . . . . 18 L CA . 16305 1 169 . 1 1 18 18 LEU CB C 13 48.088 0.03 1 1 . . . . 18 L CB . 16305 1 170 . 1 1 18 18 LEU CD1 C 13 25.328 0.03 2 2 . . . . 18 L CD . 16305 1 171 . 1 1 18 18 LEU CD2 C 13 25.328 0.03 2 2 . . . . 18 L CD . 16305 1 172 . 1 1 18 18 LEU CG C 13 26.881 0.03 1 5 . . . . 18 L CG . 16305 1 173 . 1 1 18 18 LEU N N 15 122.034 0.05 1 1 . . . . 18 L N . 16305 1 174 . 1 1 18 18 LEU HD11 H 1 0.711 0.01 1 2 . . . . 18 L HD11 . 16305 1 175 . 1 1 18 18 LEU HD12 H 1 0.711 0.01 1 2 . . . . 18 L HD12 . 16305 1 176 . 1 1 18 18 LEU HD13 H 1 0.711 0.01 1 2 . . . . 18 L HD13 . 16305 1 177 . 1 1 19 19 ARG H H 1 8.156 0.01 1 1 . . . . 19 R H . 16305 1 178 . 1 1 19 19 ARG HA H 1 4.993 0.01 1 1 . . . . 19 R HA . 16305 1 179 . 1 1 19 19 ARG HB2 H 1 1.747 0.01 1 2 . . . . 19 R HB2 . 16305 1 180 . 1 1 19 19 ARG HB3 H 1 1.607 0.01 1 2 . . . . 19 R HB3 . 16305 1 181 . 1 1 19 19 ARG HD2 H 1 2.888 0.01 1 2 . . . . 19 R HD . 16305 1 182 . 1 1 19 19 ARG HD3 H 1 2.888 0.01 1 2 . . . . 19 R HD . 16305 1 183 . 1 1 19 19 ARG HG2 H 1 1.285 0.01 1 2 . . . . 19 R HG . 16305 1 184 . 1 1 19 19 ARG HG3 H 1 1.285 0.01 1 2 . . . . 19 R HG . 16305 1 185 . 1 1 19 19 ARG C C 13 175.730 0.03 1 1 . . . . 19 R C . 16305 1 186 . 1 1 19 19 ARG CA C 13 53.726 0.03 1 1 . . . . 19 R CA . 16305 1 187 . 1 1 19 19 ARG CB C 13 32.525 0.03 1 1 . . . . 19 R CB . 16305 1 188 . 1 1 19 19 ARG CD C 13 43.566 0.03 1 1 . . . . 19 R CD . 16305 1 189 . 1 1 19 19 ARG CG C 13 27.696 0.03 1 1 . . . . 19 R CG . 16305 1 190 . 1 1 19 19 ARG N N 15 122.865 0.05 1 1 . . . . 19 R N . 16305 1 191 . 1 1 20 20 LEU H H 1 8.806 0.01 1 1 . . . . 20 L H . 16305 1 192 . 1 1 20 20 LEU HA H 1 4.887 0.01 1 1 . . . . 20 L HA . 16305 1 193 . 1 1 20 20 LEU HB2 H 1 1.180 0.01 1 2 . . . . 20 L HB2 . 16305 1 194 . 1 1 20 20 LEU HB3 H 1 0.819 0.01 1 2 . . . . 20 L HB3 . 16305 1 195 . 1 1 20 20 LEU HD11 H 1 0.282 0.01 1 2 . . . . 20 L MD1 . 16305 1 196 . 1 1 20 20 LEU HD12 H 1 0.282 0.01 1 2 . . . . 20 L MD1 . 16305 1 197 . 1 1 20 20 LEU HD13 H 1 0.282 0.01 1 2 . . . . 20 L MD1 . 16305 1 198 . 1 1 20 20 LEU HD21 H 1 -0.053 0.01 1 2 . . . . 20 L MD2 . 16305 1 199 . 1 1 20 20 LEU HD22 H 1 -0.053 0.01 1 2 . . . . 20 L MD2 . 16305 1 200 . 1 1 20 20 LEU HD23 H 1 -0.053 0.01 1 2 . . . . 20 L MD2 . 16305 1 201 . 1 1 20 20 LEU HG H 1 1.182 0.01 1 1 . . . . 20 L HG . 16305 1 202 . 1 1 20 20 LEU C C 13 176.958 0.03 1 1 . . . . 20 L C . 16305 1 203 . 1 1 20 20 LEU CA C 13 53.701 0.03 1 1 . . . . 20 L CA . 16305 1 204 . 1 1 20 20 LEU CB C 13 43.824 0.03 2 1 . . . . 20 L CB . 16305 1 205 . 1 1 20 20 LEU CD1 C 13 21.197 0.03 1 2 . . . . 20 L CD1 . 16305 1 206 . 1 1 20 20 LEU CD2 C 13 26.253 0.03 1 2 . . . . 20 L CD2 . 16305 1 207 . 1 1 20 20 LEU CG C 13 26.280 0.03 1 1 . . . . 20 L CG . 16305 1 208 . 1 1 20 20 LEU N N 15 126.886 0.05 1 1 . . . . 20 L N . 16305 1 209 . 1 1 21 21 SER H H 1 8.912 0.01 1 1 . . . . 21 S H . 16305 1 210 . 1 1 21 21 SER HA H 1 5.225 0.01 1 5 . . . . 21 S HA . 16305 1 211 . 1 1 21 21 SER HB2 H 1 3.702 0.01 1 2 . . . . 21 S HB . 16305 1 212 . 1 1 21 21 SER HB3 H 1 3.702 0.01 1 2 . . . . 21 S HB . 16305 1 213 . 1 1 21 21 SER CA C 13 57.085 0.03 1 5 . . . . 21 S CA . 16305 1 214 . 1 1 21 21 SER CB C 13 66.455 0.03 1 1 . . . . 21 S CB . 16305 1 215 . 1 1 21 21 SER N N 15 114.546 0.05 1 1 . . . . 21 S N . 16305 1 216 . 1 1 22 22 CYS H H 1 9.022 0.01 1 1 . . . . 22 C H . 16305 1 217 . 1 1 22 22 CYS HA H 1 5.037 0.01 1 1 . . . . 22 C HA . 16305 1 218 . 1 1 22 22 CYS HB2 H 1 3.293 0.01 2 2 . . . . 22 C HB . 16305 1 219 . 1 1 22 22 CYS HB3 H 1 3.293 0.01 2 2 . . . . 22 C HB . 16305 1 220 . 1 1 22 22 CYS CA C 13 53.829 0.03 1 1 . . . . 22 C CA . 16305 1 221 . 1 1 22 22 CYS CB C 13 41.517 0.03 1 1 . . . . 22 C CB . 16305 1 222 . 1 1 22 22 CYS N N 15 123.989 0.05 1 1 . . . . 22 C N . 16305 1 223 . 1 1 23 23 ALA H H 1 8.731 0.01 1 1 . . . . 23 A H . 16305 1 224 . 1 1 23 23 ALA HA H 1 4.703 0.01 1 1 . . . . 23 A HA . 16305 1 225 . 1 1 23 23 ALA HB1 H 1 1.385 0.01 1 1 . . . . 23 A MB . 16305 1 226 . 1 1 23 23 ALA HB2 H 1 1.385 0.01 1 1 . . . . 23 A MB . 16305 1 227 . 1 1 23 23 ALA HB3 H 1 1.385 0.01 1 1 . . . . 23 A MB . 16305 1 228 . 1 1 23 23 ALA C C 13 176.651 0.03 1 1 . . . . 23 A C . 16305 1 229 . 1 1 23 23 ALA CA C 13 51.585 0.03 1 1 . . . . 23 A CA . 16305 1 230 . 1 1 23 23 ALA CB C 13 20.094 0.03 1 1 . . . . 23 A CB . 16305 1 231 . 1 1 23 23 ALA N N 15 130.370 0.05 1 1 . . . . 23 A N . 16305 1 232 . 1 1 24 24 ALA H H 1 8.362 0.01 1 1 . . . . 24 A H . 16305 1 233 . 1 1 24 24 ALA HA H 1 5.218 0.01 1 1 . . . . 24 A HA . 16305 1 234 . 1 1 24 24 ALA HB1 H 1 1.134 0.01 1 1 . . . . 24 A MB . 16305 1 235 . 1 1 24 24 ALA HB2 H 1 1.134 0.01 1 1 . . . . 24 A MB . 16305 1 236 . 1 1 24 24 ALA HB3 H 1 1.134 0.01 1 1 . . . . 24 A MB . 16305 1 237 . 1 1 24 24 ALA C C 13 176.958 0.03 1 1 . . . . 24 A C . 16305 1 238 . 1 1 24 24 ALA CA C 13 50.807 0.03 1 1 . . . . 24 A CA . 16305 1 239 . 1 1 24 24 ALA CB C 13 20.687 0.03 1 1 . . . . 24 A CB . 16305 1 240 . 1 1 24 24 ALA N N 15 127.151 0.05 1 1 . . . . 24 A N . 16305 1 241 . 1 1 25 25 SER H H 1 8.753 0.01 1 1 . . . . 25 S H . 16305 1 242 . 1 1 25 25 SER HA H 1 4.645 0.01 1 1 . . . . 25 S HA . 16305 1 243 . 1 1 25 25 SER HB2 H 1 3.792 0.01 1 5 . . . . 25 S HB . 16305 1 244 . 1 1 25 25 SER HB3 H 1 3.792 0.01 1 5 . . . . 25 S HB . 16305 1 245 . 1 1 25 25 SER C C 13 174.954 0.03 1 1 . . . . 25 S C . 16305 1 246 . 1 1 25 25 SER CA C 13 57.229 0.03 1 1 . . . . 25 S CA . 16305 1 247 . 1 1 25 25 SER CB C 13 64.799 0.03 1 5 . . . . 25 S CB . 16305 1 248 . 1 1 25 25 SER N N 15 114.983 0.05 1 1 . . . . 25 S N . 16305 1 249 . 1 1 26 26 GLY H H 1 9.108 0.01 1 1 . . . . 26 G H . 16305 1 250 . 1 1 26 26 GLY HA2 H 1 4.163 0.01 1 2 . . . . 26 G HA2 . 16305 1 251 . 1 1 26 26 GLY HA3 H 1 3.590 0.01 1 2 . . . . 26 G HA3 . 16305 1 252 . 1 1 26 26 GLY C C 13 173.131 0.03 1 1 . . . . 26 G C . 16305 1 253 . 1 1 26 26 GLY CA C 13 45.851 0.03 2 1 . . . . 26 G CA . 16305 1 254 . 1 1 26 26 GLY N N 15 114.102 0.05 1 1 . . . . 26 G N . 16305 1 255 . 1 1 27 27 ILE H H 1 7.000 0.01 1 1 . . . . 27 I H . 16305 1 256 . 1 1 27 27 ILE HA H 1 4.107 0.01 1 1 . . . . 27 I HA . 16305 1 257 . 1 1 27 27 ILE HB H 1 1.124 0.01 1 1 . . . . 27 I HB . 16305 1 258 . 1 1 27 27 ILE HD11 H 1 -0.469 0.01 1 1 . . . . 27 I MD . 16305 1 259 . 1 1 27 27 ILE HD12 H 1 -0.469 0.01 1 1 . . . . 27 I MD . 16305 1 260 . 1 1 27 27 ILE HD13 H 1 -0.469 0.01 1 1 . . . . 27 I MD . 16305 1 261 . 1 1 27 27 ILE HG12 H 1 0.781 0.01 1 2 . . . . 27 I HG12 . 16305 1 262 . 1 1 27 27 ILE HG13 H 1 0.155 0.01 1 2 . . . . 27 I HG13 . 16305 1 263 . 1 1 27 27 ILE HG21 H 1 0.201 0.01 1 1 . . . . 27 I MG . 16305 1 264 . 1 1 27 27 ILE HG22 H 1 0.201 0.01 1 1 . . . . 27 I MG . 16305 1 265 . 1 1 27 27 ILE HG23 H 1 0.201 0.01 1 1 . . . . 27 I MG . 16305 1 266 . 1 1 27 27 ILE C C 13 173.429 0.03 1 1 . . . . 27 I C . 16305 1 267 . 1 1 27 27 ILE CA C 13 59.445 0.03 1 1 . . . . 27 I CA . 16305 1 268 . 1 1 27 27 ILE CB C 13 41.880 0.03 1 1 . . . . 27 I CB . 16305 1 269 . 1 1 27 27 ILE CD1 C 13 11.726 0.03 1 1 . . . . 27 I CD . 16305 1 270 . 1 1 27 27 ILE CG1 C 13 26.073 0.03 2 1 . . . . 27 I CG1 . 16305 1 271 . 1 1 27 27 ILE CG2 C 13 16.834 0.03 1 1 . . . . 27 I CG2 . 16305 1 272 . 1 1 27 27 ILE N N 15 113.531 0.05 1 1 . . . . 27 I N . 16305 1 273 . 1 1 28 28 ASP H H 1 8.216 0.01 1 1 . . . . 28 D H . 16305 1 274 . 1 1 28 28 ASP HA H 1 4.708 0.01 1 1 . . . . 28 D HA . 16305 1 275 . 1 1 28 28 ASP HB2 H 1 2.705 0.01 1 2 . . . . 28 D HB . 16305 1 276 . 1 1 28 28 ASP HB3 H 1 2.705 0.01 1 2 . . . . 28 D HB . 16305 1 277 . 1 1 28 28 ASP C C 13 176.856 0.03 1 1 . . . . 28 D C . 16305 1 278 . 1 1 28 28 ASP CA C 13 52.726 0.03 1 1 . . . . 28 D CA . 16305 1 279 . 1 1 28 28 ASP CB C 13 40.611 0.03 1 1 . . . . 28 D CB . 16305 1 280 . 1 1 28 28 ASP N N 15 122.964 0.05 1 1 . . . . 28 D N . 16305 1 281 . 1 1 29 29 SER H H 1 9.404 0.01 1 1 . . . . 29 S H . 16305 1 282 . 1 1 29 29 SER HA H 1 3.981 0.01 1 1 . . . . 29 S HA . 16305 1 283 . 1 1 29 29 SER HB2 H 1 3.503 0.01 1 2 . . . . 29 S HB . 16305 1 284 . 1 1 29 29 SER HB3 H 1 3.503 0.01 1 2 . . . . 29 S HB . 16305 1 285 . 1 1 29 29 SER C C 13 176.101 0.03 1 1 . . . . 29 S C . 16305 1 286 . 1 1 29 29 SER CA C 13 62.598 0.03 1 1 . . . . 29 S CA . 16305 1 287 . 1 1 29 29 SER CB C 13 63.773 0.03 1 1 . . . . 29 S CB . 16305 1 288 . 1 1 29 29 SER N N 15 122.612 0.05 1 1 . . . . 29 S N . 16305 1 289 . 1 1 30 30 SER H H 1 8.464 0.01 1 1 . . . . 30 S H . 16305 1 290 . 1 1 30 30 SER HA H 1 4.168 0.01 1 1 . . . . 30 S HA . 16305 1 291 . 1 1 30 30 SER HB2 H 1 3.902 0.01 1 5 . . . . 30 S HB . 16305 1 292 . 1 1 30 30 SER HB3 H 1 3.902 0.01 1 5 . . . . 30 S HB . 16305 1 293 . 1 1 30 30 SER C C 13 175.327 0.03 1 1 . . . . 30 S C . 16305 1 294 . 1 1 30 30 SER CA C 13 61.713 0.03 1 1 . . . . 30 S CA . 16305 1 295 . 1 1 30 30 SER CB C 13 63.260 0.03 1 5 . . . . 30 S CB . 16305 1 296 . 1 1 30 30 SER N N 15 117.912 0.05 1 1 . . . . 30 S N . 16305 1 297 . 1 1 31 31 SER H H 1 7.944 0.01 1 1 . . . . 31 S H . 16305 1 298 . 1 1 31 31 SER HA H 1 4.344 0.01 1 1 . . . . 31 S HA . 16305 1 299 . 1 1 31 31 SER HB2 H 1 4.005 0.01 1 2 . . . . 31 S HB . 16305 1 300 . 1 1 31 31 SER HB3 H 1 4.005 0.01 1 2 . . . . 31 S HB . 16305 1 301 . 1 1 31 31 SER C C 13 174.551 0.03 1 1 . . . . 31 S C . 16305 1 302 . 1 1 31 31 SER CA C 13 59.927 0.03 1 1 . . . . 31 S CA . 16305 1 303 . 1 1 31 31 SER CB C 13 64.586 0.03 1 1 . . . . 31 S CB . 16305 1 304 . 1 1 31 31 SER N N 15 114.951 0.05 1 1 . . . . 31 S N . 16305 1 305 . 1 1 32 32 TYR H H 1 7.599 0.01 1 1 . . . . 32 Y H . 16305 1 306 . 1 1 32 32 TYR HA H 1 4.427 0.01 1 1 . . . . 32 Y HA . 16305 1 307 . 1 1 32 32 TYR HB2 H 1 2.662 0.01 2 2 . . . . 32 Y HB . 16305 1 308 . 1 1 32 32 TYR HB3 H 1 2.662 0.01 2 2 . . . . 32 Y HB . 16305 1 309 . 1 1 32 32 TYR C C 13 174.110 0.03 1 1 . . . . 32 Y C . 16305 1 310 . 1 1 32 32 TYR CA C 13 58.530 0.03 1 1 . . . . 32 Y CA . 16305 1 311 . 1 1 32 32 TYR CB C 13 40.929 0.03 2 1 . . . . 32 Y CB . 16305 1 312 . 1 1 32 32 TYR N N 15 121.990 0.05 1 1 . . . . 32 Y N . 16305 1 313 . 1 1 33 33 CYS H H 1 8.931 0.01 1 1 . . . . 33 C H . 16305 1 314 . 1 1 33 33 CYS HA H 1 5.161 0.01 1 1 . . . . 33 C HA . 16305 1 315 . 1 1 33 33 CYS HB2 H 1 3.218 0.01 1 2 . . . . 33 C HB . 16305 1 316 . 1 1 33 33 CYS HB3 H 1 3.218 0.01 1 2 . . . . 33 C HB . 16305 1 317 . 1 1 33 33 CYS C C 13 173.835 0.03 1 1 . . . . 33 C C . 16305 1 318 . 1 1 33 33 CYS CA C 13 56.645 0.03 1 1 . . . . 33 C CA . 16305 1 319 . 1 1 33 33 CYS CB C 13 43.792 0.03 1 1 . . . . 33 C CB . 16305 1 320 . 1 1 33 33 CYS N N 15 120.007 0.05 1 1 . . . . 33 C N . 16305 1 321 . 1 1 34 34 MET H H 1 8.263 0.01 1 1 . . . . 34 M H . 16305 1 322 . 1 1 34 34 MET HA H 1 5.759 0.01 1 1 . . . . 34 M HA . 16305 1 323 . 1 1 34 34 MET HB2 H 1 1.946 0.01 1 2 . . . . 34 M HB . 16305 1 324 . 1 1 34 34 MET HB3 H 1 1.946 0.01 1 2 . . . . 34 M HB . 16305 1 325 . 1 1 34 34 MET HE1 H 1 1.651 0.01 1 5 . . . . 34 M ME . 16305 1 326 . 1 1 34 34 MET HE2 H 1 1.651 0.01 1 5 . . . . 34 M ME . 16305 1 327 . 1 1 34 34 MET HE3 H 1 1.651 0.01 1 5 . . . . 34 M ME . 16305 1 328 . 1 1 34 34 MET HG2 H 1 2.547 0.01 1 2 . . . . 34 M HG2 . 16305 1 329 . 1 1 34 34 MET HG3 H 1 2.796 0.01 1 2 . . . . 34 M HG3 . 16305 1 330 . 1 1 34 34 MET C C 13 176.110 0.03 1 1 . . . . 34 M C . 16305 1 331 . 1 1 34 34 MET CA C 13 51.976 0.03 1 1 . . . . 34 M CA . 16305 1 332 . 1 1 34 34 MET CB C 13 32.872 0.03 1 1 . . . . 34 M CB . 16305 1 333 . 1 1 34 34 MET CE C 13 14.552 0.03 1 5 . . . . 34 M CE . 16305 1 334 . 1 1 34 34 MET CG C 13 30.672 0.03 2 1 . . . . 34 M CG . 16305 1 335 . 1 1 34 34 MET N N 15 128.015 0.05 1 1 . . . . 34 M N . 16305 1 336 . 1 1 35 35 GLY H H 1 9.388 0.01 1 1 . . . . 35 G H . 16305 1 337 . 1 1 35 35 GLY HA2 H 1 5.239 0.01 1 2 . . . . 35 G HA2 . 16305 1 338 . 1 1 35 35 GLY HA3 H 1 3.448 0.01 1 2 . . . . 35 G HA3 . 16305 1 339 . 1 1 35 35 GLY C C 13 170.982 0.03 1 1 . . . . 35 G C . 16305 1 340 . 1 1 35 35 GLY CA C 13 44.612 0.03 2 1 . . . . 35 G CA . 16305 1 341 . 1 1 35 35 GLY N N 15 107.409 0.05 2 1 . . . . 35 G N . 16305 1 342 . 1 1 36 36 TRP H H 1 9.274 0.01 1 1 . . . . 36 W H . 16305 1 343 . 1 1 36 36 TRP HA H 1 5.818 0.01 1 1 . . . . 36 W HA . 16305 1 344 . 1 1 36 36 TRP HB2 H 1 3.223 0.01 1 2 . . . . 36 W HB2 . 16305 1 345 . 1 1 36 36 TRP HB3 H 1 2.819 0.01 1 2 . . . . 36 W HB3 . 16305 1 346 . 1 1 36 36 TRP CA C 13 55.795 0.03 1 1 . . . . 36 W CA . 16305 1 347 . 1 1 36 36 TRP CB C 13 33.522 0.03 2 1 . . . . 36 W CB . 16305 1 348 . 1 1 36 36 TRP N N 15 115.940 0.05 1 1 . . . . 36 W N . 16305 1 349 . 1 1 37 37 PHE H H 1 10.371 0.01 1 1 . . . . 37 F H . 16305 1 350 . 1 1 37 37 PHE HA H 1 5.262 0.01 1 1 . . . . 37 F HA . 16305 1 351 . 1 1 37 37 PHE HB2 H 1 3.069 0.01 1 2 . . . . 37 F HB . 16305 1 352 . 1 1 37 37 PHE HB3 H 1 3.069 0.01 1 2 . . . . 37 F HB . 16305 1 353 . 1 1 37 37 PHE C C 13 174.987 0.03 1 1 . . . . 37 F C . 16305 1 354 . 1 1 37 37 PHE CA C 13 55.944 0.03 1 1 . . . . 37 F CA . 16305 1 355 . 1 1 37 37 PHE CB C 13 45.017 0.03 1 1 . . . . 37 F CB . 16305 1 356 . 1 1 37 37 PHE N N 15 123.340 0.05 1 1 . . . . 37 F N . 16305 1 357 . 1 1 38 38 ARG H H 1 9.763 0.01 1 1 . . . . 38 R H . 16305 1 358 . 1 1 38 38 ARG HA H 1 5.775 0.01 1 1 . . . . 38 R HA . 16305 1 359 . 1 1 38 38 ARG HB2 H 1 0.753 0.01 1 2 . . . . 38 R HB2 . 16305 1 360 . 1 1 38 38 ARG HB3 H 1 0.874 0.01 1 2 . . . . 38 R HB3 . 16305 1 361 . 1 1 38 38 ARG HD2 H 1 2.506 0.01 1 2 . . . . 38 R HD . 16305 1 362 . 1 1 38 38 ARG HD3 H 1 2.506 0.01 1 2 . . . . 38 R HD . 16305 1 363 . 1 1 38 38 ARG HG2 H 1 1.201 0.01 1 2 . . . . 38 R HG . 16305 1 364 . 1 1 38 38 ARG HG3 H 1 1.201 0.01 1 2 . . . . 38 R HG . 16305 1 365 . 1 1 38 38 ARG C C 13 173.876 0.03 1 1 . . . . 38 R C . 16305 1 366 . 1 1 38 38 ARG CA C 13 53.756 0.03 1 1 . . . . 38 R CA . 16305 1 367 . 1 1 38 38 ARG CB C 13 32.839 0.03 2 1 . . . . 38 R CB . 16305 1 368 . 1 1 38 38 ARG CD C 13 45.302 0.03 1 1 . . . . 38 R CD . 16305 1 369 . 1 1 38 38 ARG CG C 13 24.497 0.03 1 1 . . . . 38 R CG . 16305 1 370 . 1 1 38 38 ARG N N 15 115.887 0.05 1 1 . . . . 38 R N . 16305 1 371 . 1 1 39 39 GLN H H 1 9.458 0.01 1 1 . . . . 39 Q H . 16305 1 372 . 1 1 39 39 GLN HA H 1 4.459 0.01 1 5 . . . . 39 Q HA . 16305 1 373 . 1 1 39 39 GLN HB2 H 1 2.385 0.01 1 2 . . . . 39 Q HB2 . 16305 1 374 . 1 1 39 39 GLN HB3 H 1 2.506 0.01 1 2 . . . . 39 Q HB3 . 16305 1 375 . 1 1 39 39 GLN HE21 H 1 6.981 0.01 1 2 . . . . 39 Q HE21 . 16305 1 376 . 1 1 39 39 GLN HE22 H 1 7.652 0.01 1 4 . . . . 39 Q HE22 . 16305 1 377 . 1 1 39 39 GLN HG2 H 1 2.193 0.01 1 2 . . . . 39 Q HG . 16305 1 378 . 1 1 39 39 GLN HG3 H 1 2.193 0.01 1 2 . . . . 39 Q HG . 16305 1 379 . 1 1 39 39 GLN C C 13 175.442 0.03 1 1 . . . . 39 Q C . 16305 1 380 . 1 1 39 39 GLN CA C 13 54.890 0.03 1 5 . . . . 39 Q CA . 16305 1 381 . 1 1 39 39 GLN CB C 13 32.721 0.03 2 1 . . . . 39 Q CB . 16305 1 382 . 1 1 39 39 GLN CG C 13 29.334 0.03 1 1 . . . . 39 Q CG . 16305 1 383 . 1 1 39 39 GLN N N 15 123.167 0.05 1 1 . . . . 39 Q N . 16305 1 384 . 1 1 39 39 GLN NE2 N 15 111.537 0.05 2 4 . . . . 39 Q NE2 . 16305 1 385 . 1 1 40 40 ARG H H 1 9.358 0.01 1 1 . . . . 40 R H . 16305 1 386 . 1 1 40 40 ARG HA H 1 4.623 0.01 1 1 . . . . 40 R HA . 16305 1 387 . 1 1 40 40 ARG HB2 H 1 1.683 0.01 1 5 . . . . 40 R HB . 16305 1 388 . 1 1 40 40 ARG HB3 H 1 1.683 0.01 1 5 . . . . 40 R HB . 16305 1 389 . 1 1 40 40 ARG HD2 H 1 3.083 0.01 1 2 . . . . 40 R HD . 16305 1 390 . 1 1 40 40 ARG HD3 H 1 3.083 0.01 1 2 . . . . 40 R HD . 16305 1 391 . 1 1 40 40 ARG CA C 13 55.644 0.03 1 1 . . . . 40 R CA . 16305 1 392 . 1 1 40 40 ARG CB C 13 29.692 0.03 1 5 . . . . 40 R CB . 16305 1 393 . 1 1 40 40 ARG CD C 13 42.347 0.03 1 1 . . . . 40 R CD . 16305 1 394 . 1 1 40 40 ARG N N 15 131.878 0.05 1 1 . . . . 40 R N . 16305 1 395 . 1 1 41 41 PRO HA H 1 4.278 0.01 1 1 . . . . 41 P HA . 16305 1 396 . 1 1 41 41 PRO HB2 H 1 2.269 0.01 1 2 . . . . 41 P HB . 16305 1 397 . 1 1 41 41 PRO HB3 H 1 2.269 0.01 1 2 . . . . 41 P HB . 16305 1 398 . 1 1 41 41 PRO HD2 H 1 3.868 0.01 1 5 . . . . 41 P HD2 . 16305 1 399 . 1 1 41 41 PRO HD3 H 1 3.595 0.01 1 2 . . . . 41 P HD3 . 16305 1 400 . 1 1 41 41 PRO HG2 H 1 2.008 0.01 1 2 . . . . 41 P HG2 . 16305 1 401 . 1 1 41 41 PRO HG3 H 1 2.132 0.01 1 2 . . . . 41 P HG3 . 16305 1 402 . 1 1 41 41 PRO C C 13 178.637 0.03 1 1 . . . . 41 P C . 16305 1 403 . 1 1 41 41 PRO CA C 13 64.453 0.03 1 1 . . . . 41 P CA . 16305 1 404 . 1 1 41 41 PRO CB C 13 31.512 0.03 1 1 . . . . 41 P CB . 16305 1 405 . 1 1 41 41 PRO CD C 13 50.325 0.03 2 5 . . . . 41 P CD . 16305 1 406 . 1 1 41 41 PRO CG C 13 27.770 0.03 2 1 . . . . 41 P CG . 16305 1 407 . 1 1 42 42 GLY H H 1 8.814 0.01 1 1 . . . . 42 G H . 16305 1 408 . 1 1 42 42 GLY HA2 H 1 4.069 0.01 1 5 . . . . 42 G HA2 . 16305 1 409 . 1 1 42 42 GLY HA3 H 1 3.744 0.01 1 2 . . . . 42 G HA3 . 16305 1 410 . 1 1 42 42 GLY C C 13 174.182 0.03 1 1 . . . . 42 G C . 16305 1 411 . 1 1 42 42 GLY CA C 13 45.779 0.03 2 5 . . . . 42 G CA . 16305 1 412 . 1 1 42 42 GLY N N 15 113.103 0.05 1 1 . . . . 42 G N . 16305 1 413 . 1 1 43 43 LYS H H 1 7.995 0.01 1 1 . . . . 43 K H . 16305 1 414 . 1 1 43 43 LYS HA H 1 4.818 0.01 1 1 . . . . 43 K HA . 16305 1 415 . 1 1 43 43 LYS HB2 H 1 1.508 0.01 1 2 . . . . 43 K HB . 16305 1 416 . 1 1 43 43 LYS HB3 H 1 1.508 0.01 1 2 . . . . 43 K HB . 16305 1 417 . 1 1 43 43 LYS HD2 H 1 1.924 0.01 1 2 . . . . 43 K HD . 16305 1 418 . 1 1 43 43 LYS HD3 H 1 1.924 0.01 1 2 . . . . 43 K HD . 16305 1 419 . 1 1 43 43 LYS C C 13 176.285 0.03 1 1 . . . . 43 K C . 16305 1 420 . 1 1 43 43 LYS CA C 13 53.692 0.03 1 1 . . . . 43 K CA . 16305 1 421 . 1 1 43 43 LYS CB C 13 34.911 0.03 1 1 . . . . 43 K CB . 16305 1 422 . 1 1 43 43 LYS CD C 13 33.287 0.03 1 1 . . . . 43 K CD . 16305 1 423 . 1 1 43 43 LYS N N 15 119.632 0.05 1 1 . . . . 43 K N . 16305 1 424 . 1 1 44 44 GLU H H 1 8.360 0.01 1 1 . . . . 44 E H . 16305 1 425 . 1 1 44 44 GLU HA H 1 4.334 0.01 1 1 . . . . 44 E HA . 16305 1 426 . 1 1 44 44 GLU HB2 H 1 1.939 0.01 1 2 . . . . 44 E HB . 16305 1 427 . 1 1 44 44 GLU HB3 H 1 1.939 0.01 1 2 . . . . 44 E HB . 16305 1 428 . 1 1 44 44 GLU HG2 H 1 2.366 0.01 1 2 . . . . 44 E HG . 16305 1 429 . 1 1 44 44 GLU HG3 H 1 2.366 0.01 1 2 . . . . 44 E HG . 16305 1 430 . 1 1 44 44 GLU C C 13 177.031 0.03 1 1 . . . . 44 E C . 16305 1 431 . 1 1 44 44 GLU CA C 13 55.718 0.03 1 1 . . . . 44 E CA . 16305 1 432 . 1 1 44 44 GLU CB C 13 30.349 0.03 1 1 . . . . 44 E CB . 16305 1 433 . 1 1 44 44 GLU CG C 13 36.132 0.03 1 1 . . . . 44 E CG . 16305 1 434 . 1 1 44 44 GLU N N 15 118.672 0.05 1 1 . . . . 44 E N . 16305 1 435 . 1 1 45 45 ARG H H 1 8.767 0.01 1 1 . . . . 45 R H . 16305 1 436 . 1 1 45 45 ARG HA H 1 4.421 0.01 1 1 . . . . 45 R HA . 16305 1 437 . 1 1 45 45 ARG HB2 H 1 1.555 0.01 1 2 . . . . 45 R HB . 16305 1 438 . 1 1 45 45 ARG HB3 H 1 1.555 0.01 1 2 . . . . 45 R HB . 16305 1 439 . 1 1 45 45 ARG HD2 H 1 2.148 0.01 1 2 . . . . 45 R HD2 . 16305 1 440 . 1 1 45 45 ARG HD3 H 1 2.116 0.01 1 2 . . . . 45 R HD3 . 16305 1 441 . 1 1 45 45 ARG HG2 H 1 1.377 0.01 1 2 . . . . 45 R HG . 16305 1 442 . 1 1 45 45 ARG HG3 H 1 1.377 0.01 1 2 . . . . 45 R HG . 16305 1 443 . 1 1 45 45 ARG C C 13 175.587 0.03 1 1 . . . . 45 R C . 16305 1 444 . 1 1 45 45 ARG CA C 13 57.822 0.03 1 1 . . . . 45 R CA . 16305 1 445 . 1 1 45 45 ARG CB C 13 30.454 0.03 1 1 . . . . 45 R CB . 16305 1 446 . 1 1 45 45 ARG CD C 13 43.199 0.03 2 1 . . . . 45 R CD . 16305 1 447 . 1 1 45 45 ARG CG C 13 27.262 0.03 1 1 . . . . 45 R CG . 16305 1 448 . 1 1 45 45 ARG N N 15 122.607 0.05 1 1 . . . . 45 R N . 16305 1 449 . 1 1 46 46 GLU H H 1 9.356 0.01 1 1 . . . . 46 E H . 16305 1 450 . 1 1 46 46 GLU HA H 1 4.795 0.01 1 1 . . . . 46 E HA . 16305 1 451 . 1 1 46 46 GLU HB2 H 1 1.918 0.01 1 2 . . . . 46 E HB . 16305 1 452 . 1 1 46 46 GLU HB3 H 1 1.918 0.01 1 2 . . . . 46 E HB . 16305 1 453 . 1 1 46 46 GLU HG2 H 1 2.307 0.01 1 2 . . . . 46 E HG . 16305 1 454 . 1 1 46 46 GLU HG3 H 1 2.307 0.01 1 2 . . . . 46 E HG . 16305 1 455 . 1 1 46 46 GLU C C 13 175.568 0.03 1 1 . . . . 46 E C . 16305 1 456 . 1 1 46 46 GLU CA C 13 53.587 0.03 1 1 . . . . 46 E CA . 16305 1 457 . 1 1 46 46 GLU CB C 13 33.276 0.03 1 1 . . . . 46 E CB . 16305 1 458 . 1 1 46 46 GLU CG C 13 35.459 0.03 1 1 . . . . 46 E CG . 16305 1 459 . 1 1 46 46 GLU N N 15 124.037 0.05 1 1 . . . . 46 E N . 16305 1 460 . 1 1 47 47 GLY H H 1 8.558 0.01 1 1 . . . . 47 G H . 16305 1 461 . 1 1 47 47 GLY HA2 H 1 3.654 0.01 1 2 . . . . 47 G HA . 16305 1 462 . 1 1 47 47 GLY HA3 H 1 3.654 0.01 1 2 . . . . 47 G HA . 16305 1 463 . 1 1 47 47 GLY C C 13 172.589 0.03 1 1 . . . . 47 G C . 16305 1 464 . 1 1 47 47 GLY CA C 13 45.715 0.03 1 1 . . . . 47 G CA . 16305 1 465 . 1 1 47 47 GLY N N 15 112.384 0.05 1 1 . . . . 47 G N . 16305 1 466 . 1 1 48 48 VAL H H 1 8.233 0.01 1 1 . . . . 48 V H . 16305 1 467 . 1 1 48 48 VAL HA H 1 4.143 0.01 1 1 . . . . 48 V HA . 16305 1 468 . 1 1 48 48 VAL HB H 1 2.081 0.01 1 1 . . . . 48 V HB . 16305 1 469 . 1 1 48 48 VAL HG11 H 1 1.059 0.01 1 2 . . . . 48 V MG1 . 16305 1 470 . 1 1 48 48 VAL HG12 H 1 1.059 0.01 1 2 . . . . 48 V MG1 . 16305 1 471 . 1 1 48 48 VAL HG13 H 1 1.059 0.01 1 2 . . . . 48 V MG1 . 16305 1 472 . 1 1 48 48 VAL HG21 H 1 0.893 0.01 1 2 . . . . 48 V MG2 . 16305 1 473 . 1 1 48 48 VAL HG22 H 1 0.893 0.01 1 2 . . . . 48 V MG2 . 16305 1 474 . 1 1 48 48 VAL HG23 H 1 0.893 0.01 1 2 . . . . 48 V MG2 . 16305 1 475 . 1 1 48 48 VAL C C 13 174.343 0.03 1 1 . . . . 48 V C . 16305 1 476 . 1 1 48 48 VAL CA C 13 62.983 0.03 1 1 . . . . 48 V CA . 16305 1 477 . 1 1 48 48 VAL CB C 13 33.732 0.03 1 1 . . . . 48 V CB . 16305 1 478 . 1 1 48 48 VAL CG1 C 13 22.705 0.03 1 2 . . . . 48 V CG1 . 16305 1 479 . 1 1 48 48 VAL CG2 C 13 19.763 0.03 1 2 . . . . 48 V CG2 . 16305 1 480 . 1 1 48 48 VAL N N 15 118.504 0.05 1 1 . . . . 48 V N . 16305 1 481 . 1 1 49 49 ALA H H 1 8.089 0.01 1 1 . . . . 49 A H . 16305 1 482 . 1 1 49 49 ALA HA H 1 5.611 0.01 1 1 . . . . 49 A HA . 16305 1 483 . 1 1 49 49 ALA HB1 H 1 1.559 0.01 1 1 . . . . 49 A MB . 16305 1 484 . 1 1 49 49 ALA HB2 H 1 1.559 0.01 1 1 . . . . 49 A MB . 16305 1 485 . 1 1 49 49 ALA HB3 H 1 1.559 0.01 1 1 . . . . 49 A MB . 16305 1 486 . 1 1 49 49 ALA C C 13 175.269 0.03 1 1 . . . . 49 A C . 16305 1 487 . 1 1 49 49 ALA CA C 13 51.446 0.03 1 1 . . . . 49 A CA . 16305 1 488 . 1 1 49 49 ALA CB C 13 24.999 0.03 1 1 . . . . 49 A CB . 16305 1 489 . 1 1 49 49 ALA N N 15 119.414 0.05 1 1 . . . . 49 A N . 16305 1 490 . 1 1 50 50 ARG H H 1 9.039 0.01 1 1 . . . . 50 R H . 16305 1 491 . 1 1 50 50 ARG HA H 1 5.722 0.01 1 1 . . . . 50 R HA . 16305 1 492 . 1 1 50 50 ARG HB2 H 1 1.904 0.01 1 2 . . . . 50 R HB . 16305 1 493 . 1 1 50 50 ARG HB3 H 1 1.904 0.01 1 2 . . . . 50 R HB . 16305 1 494 . 1 1 50 50 ARG C C 13 172.628 0.03 1 1 . . . . 50 R C . 16305 1 495 . 1 1 50 50 ARG CA C 13 55.402 0.03 1 1 . . . . 50 R CA . 16305 1 496 . 1 1 50 50 ARG CB C 13 32.335 0.03 1 1 . . . . 50 R CB . 16305 1 497 . 1 1 50 50 ARG N N 15 117.680 0.05 1 1 . . . . 50 R N . 16305 1 498 . 1 1 51 51 ILE H H 1 9.385 0.01 1 1 . . . . 51 I H . 16305 1 499 . 1 1 51 51 ILE HA H 1 5.055 0.01 1 1 . . . . 51 I HA . 16305 1 500 . 1 1 51 51 ILE HB H 1 1.539 0.01 1 1 . . . . 51 I HB . 16305 1 501 . 1 1 51 51 ILE HD11 H 1 0.886 0.01 1 1 . . . . 51 I MD . 16305 1 502 . 1 1 51 51 ILE HD12 H 1 0.886 0.01 1 1 . . . . 51 I MD . 16305 1 503 . 1 1 51 51 ILE HD13 H 1 0.886 0.01 1 1 . . . . 51 I MD . 16305 1 504 . 1 1 51 51 ILE HG21 H 1 0.990 0.01 1 1 . . . . 51 I MG . 16305 1 505 . 1 1 51 51 ILE HG22 H 1 0.990 0.01 1 1 . . . . 51 I MG . 16305 1 506 . 1 1 51 51 ILE HG23 H 1 0.990 0.01 1 1 . . . . 51 I MG . 16305 1 507 . 1 1 51 51 ILE C C 13 172.372 0.03 1 1 . . . . 51 I C . 16305 1 508 . 1 1 51 51 ILE CA C 13 59.076 0.03 1 1 . . . . 51 I CA . 16305 1 509 . 1 1 51 51 ILE CB C 13 42.748 0.03 1 1 . . . . 51 I CB . 16305 1 510 . 1 1 51 51 ILE CD1 C 13 14.683 0.03 1 1 . . . . 51 I CD1 . 16305 1 511 . 1 1 51 51 ILE CG2 C 13 14.560 0.03 1 1 . . . . 51 I CG2 . 16305 1 512 . 1 1 51 51 ILE N N 15 119.940 0.05 1 1 . . . . 51 I N . 16305 1 513 . 1 1 52 52 ASN H H 1 7.914 0.01 1 1 . . . . 52 N H . 16305 1 514 . 1 1 52 52 ASN HA H 1 5.123 0.01 1 1 . . . . 52 N HA . 16305 1 515 . 1 1 52 52 ASN HB2 H 1 3.024 0.01 1 2 . . . . 52 N HB2 . 16305 1 516 . 1 1 52 52 ASN HB3 H 1 2.833 0.01 1 2 . . . . 52 N HB3 . 16305 1 517 . 1 1 52 52 ASN HD21 H 1 7.509 0.01 1 2 . . . . 52 N HD21 . 16305 1 518 . 1 1 52 52 ASN CA C 13 53.731 0.03 1 1 . . . . 52 N CA . 16305 1 519 . 1 1 52 52 ASN CB C 13 40.806 0.03 2 1 . . . . 52 N CB . 16305 1 520 . 1 1 52 52 ASN N N 15 123.039 0.05 1 1 . . . . 52 N N . 16305 1 521 . 1 1 52 52 ASN ND2 N 15 110.817 0.05 1 1 . . . . 52 N ND2 . 16305 1 522 . 1 1 53 53 GLY H H 1 7.106 0.01 1 1 . . . . 53 G H . 16305 1 523 . 1 1 53 53 GLY HA2 H 1 3.258 0.01 1 2 . . . . 53 G HA2 . 16305 1 524 . 1 1 53 53 GLY HA3 H 1 4.081 0.01 1 2 . . . . 53 G HA3 . 16305 1 525 . 1 1 53 53 GLY C C 13 173.871 0.03 1 1 . . . . 53 G C . 16305 1 526 . 1 1 53 53 GLY CA C 13 45.302 0.03 2 1 . . . . 53 G CA . 16305 1 527 . 1 1 53 53 GLY N N 15 105.473 0.05 1 1 . . . . 53 G N . 16305 1 528 . 1 1 54 54 LEU HD11 H 1 0.711 0.01 1 2 . . . . 53 L MD1 . 16305 1 529 . 1 1 54 54 LEU HD12 H 1 0.711 0.01 1 2 . . . . 53 L MD1 . 16305 1 530 . 1 1 54 54 LEU HD13 H 1 0.711 0.01 1 2 . . . . 53 L MD1 . 16305 1 531 . 1 1 54 54 LEU H H 1 7.702 0.01 1 1 . . . . 54 L H . 16305 1 532 . 1 1 54 54 LEU HA H 1 4.130 0.01 1 1 . . . . 54 L HA . 16305 1 533 . 1 1 54 54 LEU HB2 H 1 1.617 0.01 1 2 . . . . 54 L HB2 . 16305 1 534 . 1 1 54 54 LEU HB3 H 1 1.467 0.01 1 2 . . . . 54 L HB3 . 16305 1 535 . 1 1 54 54 LEU HD21 H 1 1.105 0.01 1 2 . . . . 54 L MD2 . 16305 1 536 . 1 1 54 54 LEU HD22 H 1 1.105 0.01 1 2 . . . . 54 L MD2 . 16305 1 537 . 1 1 54 54 LEU HD23 H 1 1.105 0.01 1 2 . . . . 54 L MD2 . 16305 1 538 . 1 1 54 54 LEU HG H 1 0.513 0.01 1 1 . . . . 54 L HG . 16305 1 539 . 1 1 54 54 LEU C C 13 177.500 0.03 1 1 . . . . 54 L C . 16305 1 540 . 1 1 54 54 LEU CA C 13 55.291 0.03 1 1 . . . . 54 L CA . 16305 1 541 . 1 1 54 54 LEU CB C 13 40.157 0.03 2 1 . . . . 54 L CB . 16305 1 542 . 1 1 54 54 LEU CD1 C 13 22.605 0.03 1 2 . . . . 54 L CD1 . 16305 1 543 . 1 1 54 54 LEU CG C 13 24.534 0.03 1 1 . . . . 54 L CG . 16305 1 544 . 1 1 54 54 LEU N N 15 116.152 0.05 1 1 . . . . 54 L N . 16305 1 545 . 1 1 54 54 LEU CD2 C 13 26.83 0.03 2 2 . . . . 55 L CD2 . 16305 1 546 . 1 1 55 55 GLY H H 1 8.803 0.01 1 1 . . . . 55 G H . 16305 1 547 . 1 1 55 55 GLY HA2 H 1 4.081 0.01 1 2 . . . . 55 G HA2 . 16305 1 548 . 1 1 55 55 GLY HA3 H 1 3.655 0.01 1 2 . . . . 55 G HA3 . 16305 1 549 . 1 1 55 55 GLY C C 13 175.297 0.03 1 1 . . . . 55 G C . 16305 1 550 . 1 1 55 55 GLY CA C 13 45.731 0.03 2 1 . . . . 55 G CA . 16305 1 551 . 1 1 55 55 GLY N N 15 107.960 0.05 1 1 . . . . 55 G N . 16305 1 552 . 1 1 56 56 GLY H H 1 8.072 0.01 1 1 . . . . 56 G H . 16305 1 553 . 1 1 56 56 GLY HA2 H 1 4.144 0.01 1 2 . . . . 56 G HA2 . 16305 1 554 . 1 1 56 56 GLY HA3 H 1 3.842 0.01 1 2 . . . . 56 G HA3 . 16305 1 555 . 1 1 56 56 GLY CA C 13 45.093 0.03 2 1 . . . . 56 G CA . 16305 1 556 . 1 1 56 56 GLY N N 15 109.464 0.05 1 1 . . . . 56 G N . 16305 1 557 . 1 1 57 57 VAL H H 1 8.348 0.01 1 1 . . . . 57 V H . 16305 1 558 . 1 1 57 57 VAL HA H 1 4.498 0.01 1 1 . . . . 57 V HA . 16305 1 559 . 1 1 57 57 VAL HB H 1 2.383 0.01 1 1 . . . . 57 V HB . 16305 1 560 . 1 1 57 57 VAL HG11 H 1 0.962 0.01 1 2 . . . . 57 V MG1 . 16305 1 561 . 1 1 57 57 VAL HG12 H 1 0.962 0.01 1 2 . . . . 57 V MG1 . 16305 1 562 . 1 1 57 57 VAL HG13 H 1 0.962 0.01 1 2 . . . . 57 V MG1 . 16305 1 563 . 1 1 57 57 VAL HG21 H 1 0.972 0.01 1 2 . . . . 57 V MG2 . 16305 1 564 . 1 1 57 57 VAL HG22 H 1 0.972 0.01 1 2 . . . . 57 V MG2 . 16305 1 565 . 1 1 57 57 VAL HG23 H 1 0.972 0.01 1 2 . . . . 57 V MG2 . 16305 1 566 . 1 1 57 57 VAL C C 13 177.235 0.03 1 1 . . . . 57 V C . 16305 1 567 . 1 1 57 57 VAL CA C 13 61.612 0.03 1 1 . . . . 57 V CA . 16305 1 568 . 1 1 57 57 VAL CB C 13 32.156 0.03 1 1 . . . . 57 V CB . 16305 1 569 . 1 1 57 57 VAL CG1 C 13 21.180 0.03 1 2 . . . . 57 V CG1 . 16305 1 570 . 1 1 57 57 VAL CG2 C 13 18.628 0.03 1 2 . . . . 57 V CG2 . 16305 1 571 . 1 1 57 57 VAL N N 15 112.951 0.05 1 1 . . . . 57 V N . 16305 1 572 . 1 1 58 58 LYS H H 1 8.233 0.01 1 1 . . . . 58 K H . 16305 1 573 . 1 1 58 58 LYS HA H 1 4.482 0.01 1 5 . . . . 58 K HA . 16305 1 574 . 1 1 58 58 LYS HB2 H 1 1.806 0.01 1 2 . . . . 58 K HB . 16305 1 575 . 1 1 58 58 LYS HB3 H 1 1.806 0.01 1 2 . . . . 58 K HB . 16305 1 576 . 1 1 58 58 LYS HD2 H 1 1.686 0.01 1 2 . . . . 58 K HD . 16305 1 577 . 1 1 58 58 LYS HD3 H 1 1.686 0.01 1 2 . . . . 58 K HD . 16305 1 578 . 1 1 58 58 LYS HE2 H 1 3.002 0.01 1 2 . . . . 58 K HE . 16305 1 579 . 1 1 58 58 LYS HE3 H 1 3.002 0.01 1 2 . . . . 58 K HE . 16305 1 580 . 1 1 58 58 LYS HG2 H 1 0.884 0.01 2 5 . . . . 58 K HG . 16305 1 581 . 1 1 58 58 LYS HG3 H 1 0.884 0.01 2 5 . . . . 58 K HG . 16305 1 582 . 1 1 58 58 LYS C C 13 176.182 0.03 1 1 . . . . 58 K C . 16305 1 583 . 1 1 58 58 LYS CA C 13 57.240 0.03 1 5 . . . . 58 K CA . 16305 1 584 . 1 1 58 58 LYS CB C 13 33.444 0.03 1 1 . . . . 58 K CB . 16305 1 585 . 1 1 58 58 LYS CD C 13 29.132 0.03 1 1 . . . . 58 K CD . 16305 1 586 . 1 1 58 58 LYS CE C 13 42.287 0.03 1 1 . . . . 58 K CE . 16305 1 587 . 1 1 58 58 LYS CG C 13 25.419 0.03 2 5 . . . . 58 K CG . 16305 1 588 . 1 1 58 58 LYS N N 15 124.602 0.05 1 1 . . . . 58 K N . 16305 1 589 . 1 1 59 59 THR H H 1 8.181 0.01 1 1 . . . . 59 T H . 16305 1 590 . 1 1 59 59 THR HA H 1 5.252 0.01 1 1 . . . . 59 T HA . 16305 1 591 . 1 1 59 59 THR HB H 1 3.954 0.01 1 1 . . . . 59 T HB . 16305 1 592 . 1 1 59 59 THR HG21 H 1 1.310 0.01 1 1 . . . . 59 T MG . 16305 1 593 . 1 1 59 59 THR HG22 H 1 1.310 0.01 1 1 . . . . 59 T MG . 16305 1 594 . 1 1 59 59 THR HG23 H 1 1.310 0.01 1 1 . . . . 59 T MG . 16305 1 595 . 1 1 59 59 THR C C 13 174.339 0.03 1 1 . . . . 59 T C . 16305 1 596 . 1 1 59 59 THR CA C 13 59.078 0.03 1 1 . . . . 59 T CA . 16305 1 597 . 1 1 59 59 THR CB C 13 73.057 0.03 1 1 . . . . 59 T CB . 16305 1 598 . 1 1 59 59 THR CG2 C 13 22.920 0.03 1 1 . . . . 59 T CG . 16305 1 599 . 1 1 59 59 THR N N 15 113.393 0.05 1 1 . . . . 59 T N . 16305 1 600 . 1 1 60 60 ALA H H 1 8.106 0.01 1 1 . . . . 60 A H . 16305 1 601 . 1 1 60 60 ALA HA H 1 4.619 0.01 1 1 . . . . 60 A HA . 16305 1 602 . 1 1 60 60 ALA HB1 H 1 1.065 0.01 1 1 . . . . 60 A MB . 16305 1 603 . 1 1 60 60 ALA HB2 H 1 1.065 0.01 1 1 . . . . 60 A MB . 16305 1 604 . 1 1 60 60 ALA HB3 H 1 1.065 0.01 1 1 . . . . 60 A MB . 16305 1 605 . 1 1 60 60 ALA C C 13 175.189 0.03 1 1 . . . . 60 A C . 16305 1 606 . 1 1 60 60 ALA CA C 13 51.641 0.03 1 1 . . . . 60 A CA . 16305 1 607 . 1 1 60 60 ALA CB C 13 22.390 0.03 1 1 . . . . 60 A CB . 16305 1 608 . 1 1 60 60 ALA N N 15 120.559 0.05 1 1 . . . . 60 A N . 16305 1 609 . 1 1 61 61 TYR H H 1 8.595 0.01 1 1 . . . . 61 Y H . 16305 1 610 . 1 1 61 61 TYR HA H 1 5.359 0.01 1 1 . . . . 61 Y HA . 16305 1 611 . 1 1 61 61 TYR HB2 H 1 2.510 0.01 1 2 . . . . 61 Y HB2 . 16305 1 612 . 1 1 61 61 TYR HB3 H 1 3.127 0.01 1 2 . . . . 61 Y HB3 . 16305 1 613 . 1 1 61 61 TYR C C 13 176.876 0.03 1 1 . . . . 61 Y C . 16305 1 614 . 1 1 61 61 TYR CA C 13 57.241 0.03 1 1 . . . . 61 Y CA . 16305 1 615 . 1 1 61 61 TYR CB C 13 44.703 0.03 2 1 . . . . 61 Y CB . 16305 1 616 . 1 1 61 61 TYR N N 15 115.466 0.05 1 1 . . . . 61 Y N . 16305 1 617 . 1 1 62 62 ALA H H 1 8.295 0.01 1 1 . . . . 62 A H . 16305 1 618 . 1 1 62 62 ALA HA H 1 4.493 0.01 1 1 . . . . 62 A HA . 16305 1 619 . 1 1 62 62 ALA HB1 H 1 1.552 0.01 1 1 . . . . 62 A MB . 16305 1 620 . 1 1 62 62 ALA HB2 H 1 1.552 0.01 1 1 . . . . 62 A MB . 16305 1 621 . 1 1 62 62 ALA HB3 H 1 1.552 0.01 1 1 . . . . 62 A MB . 16305 1 622 . 1 1 62 62 ALA C C 13 179.201 0.03 1 1 . . . . 62 A C . 16305 1 623 . 1 1 62 62 ALA CA C 13 52.423 0.03 1 1 . . . . 62 A CA . 16305 1 624 . 1 1 62 62 ALA CB C 13 19.109 0.03 1 1 . . . . 62 A CB . 16305 1 625 . 1 1 62 62 ALA N N 15 125.092 0.05 1 1 . . . . 62 A N . 16305 1 626 . 1 1 63 63 ASP H H 1 9.034 0.01 1 1 . . . . 63 D H . 16305 1 627 . 1 1 63 63 ASP HA H 1 4.328 0.01 1 1 . . . . 63 D HA . 16305 1 628 . 1 1 63 63 ASP HB2 H 1 2.622 0.01 1 2 . . . . 63 D HB . 16305 1 629 . 1 1 63 63 ASP HB3 H 1 2.622 0.01 1 2 . . . . 63 D HB . 16305 1 630 . 1 1 63 63 ASP C C 13 178.439 0.03 1 1 . . . . 63 D C . 16305 1 631 . 1 1 63 63 ASP CA C 13 57.968 0.03 1 1 . . . . 63 D CA . 16305 1 632 . 1 1 63 63 ASP CB C 13 40.049 0.03 1 1 . . . . 63 D CB . 16305 1 633 . 1 1 63 63 ASP N N 15 123.145 0.05 1 1 . . . . 63 D N . 16305 1 634 . 1 1 64 64 SER H H 1 8.201 0.01 1 1 . . . . 64 S H . 16305 1 635 . 1 1 64 64 SER HA H 1 4.187 0.01 1 5 . . . . 64 S HA . 16305 1 636 . 1 1 64 64 SER HB2 H 1 3.885 0.01 1 5 . . . . 64 S HB . 16305 1 637 . 1 1 64 64 SER HB3 H 1 3.885 0.01 1 5 . . . . 64 S HB . 16305 1 638 . 1 1 64 64 SER C C 13 175.957 0.03 1 1 . . . . 64 S C . 16305 1 639 . 1 1 64 64 SER CA C 13 60.062 0.03 1 5 . . . . 64 S CA . 16305 1 640 . 1 1 64 64 SER CB C 13 63.264 0.03 1 5 . . . . 64 S CB . 16305 1 641 . 1 1 64 64 SER N N 15 110.321 0.05 1 1 . . . . 64 S N . 16305 1 642 . 1 1 65 65 VAL H H 1 7.324 0.01 1 1 . . . . 65 V H . 16305 1 643 . 1 1 65 65 VAL HA H 1 4.187 0.01 1 5 . . . . 65 V HA . 16305 1 644 . 1 1 65 65 VAL HB H 1 1.094 0.01 1 1 . . . . 65 V HB . 16305 1 645 . 1 1 65 65 VAL HG11 H 1 0.251 0.01 1 2 . . . . 65 V MG1 . 16305 1 646 . 1 1 65 65 VAL HG12 H 1 0.251 0.01 1 2 . . . . 65 V MG1 . 16305 1 647 . 1 1 65 65 VAL HG13 H 1 0.251 0.01 1 2 . . . . 65 V MG1 . 16305 1 648 . 1 1 65 65 VAL HG21 H 1 0.982 0.01 1 2 . . . . 65 V MG2 . 16305 1 649 . 1 1 65 65 VAL HG22 H 1 0.982 0.01 1 2 . . . . 65 V MG2 . 16305 1 650 . 1 1 65 65 VAL HG23 H 1 0.982 0.01 1 2 . . . . 65 V MG2 . 16305 1 651 . 1 1 65 65 VAL C C 13 175.657 0.03 1 1 . . . . 65 V C . 16305 1 652 . 1 1 65 65 VAL CA C 13 60.044 0.03 1 5 . . . . 65 V CA . 16305 1 653 . 1 1 65 65 VAL CB C 13 31.614 0.03 1 1 . . . . 65 V CB . 16305 1 654 . 1 1 65 65 VAL CG1 C 13 20.470 0.03 1 2 . . . . 65 V CG1 . 16305 1 655 . 1 1 65 65 VAL CG2 C 13 19.656 0.03 1 2 . . . . 65 V CG2 . 16305 1 656 . 1 1 65 65 VAL N N 15 111.732 0.05 1 1 . . . . 65 V N . 16305 1 657 . 1 1 66 66 LYS H H 1 7.180 0.01 1 1 . . . . 66 K H . 16305 1 658 . 1 1 66 66 LYS HA H 1 3.631 0.01 1 1 . . . . 66 K HA . 16305 1 659 . 1 1 66 66 LYS HB2 H 1 1.826 0.01 1 2 . . . . 66 K HB . 16305 1 660 . 1 1 66 66 LYS HB3 H 1 1.826 0.01 1 2 . . . . 66 K HB . 16305 1 661 . 1 1 66 66 LYS HD2 H 1 1.790 0.01 1 2 . . . . 66 K HD . 16305 1 662 . 1 1 66 66 LYS HD3 H 1 1.790 0.01 1 2 . . . . 66 K HD . 16305 1 663 . 1 1 66 66 LYS HE2 H 1 3.044 0.01 1 2 . . . . 66 K HE . 16305 1 664 . 1 1 66 66 LYS HE3 H 1 3.044 0.01 1 2 . . . . 66 K HE . 16305 1 665 . 1 1 66 66 LYS HG2 H 1 1.391 0.01 1 2 . . . . 66 K HG2 . 16305 1 666 . 1 1 66 66 LYS HG3 H 1 1.508 0.01 1 2 . . . . 66 K HG3 . 16305 1 667 . 1 1 66 66 LYS C C 13 176.414 0.03 1 1 . . . . 66 K C . 16305 1 668 . 1 1 66 66 LYS CA C 13 58.647 0.03 1 1 . . . . 66 K CA . 16305 1 669 . 1 1 66 66 LYS CB C 13 32.497 0.03 1 1 . . . . 66 K CB . 16305 1 670 . 1 1 66 66 LYS CD C 13 29.531 0.03 1 1 . . . . 66 K CD . 16305 1 671 . 1 1 66 66 LYS CE C 13 42.400 0.03 1 1 . . . . 66 K CE . 16305 1 672 . 1 1 66 66 LYS CG C 13 24.215 0.03 2 1 . . . . 66 K CG . 16305 1 673 . 1 1 66 66 LYS N N 15 124.373 0.05 1 1 . . . . 66 K N . 16305 1 674 . 1 1 67 67 ASP H H 1 8.822 0.01 1 1 . . . . 67 D H . 16305 1 675 . 1 1 67 67 ASP HA H 1 4.326 0.01 1 1 . . . . 67 D HA . 16305 1 676 . 1 1 67 67 ASP HB2 H 1 2.968 0.01 1 2 . . . . 67 D HB2 . 16305 1 677 . 1 1 67 67 ASP HB3 H 1 2.749 0.01 1 2 . . . . 67 D HB3 . 16305 1 678 . 1 1 67 67 ASP C C 13 176.066 0.03 1 1 . . . . 67 D C . 16305 1 679 . 1 1 67 67 ASP CA C 13 56.507 0.03 1 1 . . . . 67 D CA . 16305 1 680 . 1 1 67 67 ASP CB C 13 39.953 0.03 2 1 . . . . 67 D CB . 16305 1 681 . 1 1 67 67 ASP N N 15 118.837 0.05 1 1 . . . . 67 D N . 16305 1 682 . 1 1 68 68 ARG H H 1 7.825 0.01 1 1 . . . . 68 R H . 16305 1 683 . 1 1 68 68 ARG HA H 1 4.615 0.01 1 1 . . . . 68 R HA . 16305 1 684 . 1 1 68 68 ARG HB2 H 1 2.150 0.01 1 2 . . . . 68 R HB . 16305 1 685 . 1 1 68 68 ARG HB3 H 1 2.150 0.01 1 2 . . . . 68 R HB . 16305 1 686 . 1 1 68 68 ARG HD2 H 1 3.377 0.01 1 2 . . . . 68 R HD . 16305 1 687 . 1 1 68 68 ARG HD3 H 1 3.377 0.01 1 2 . . . . 68 R HD . 16305 1 688 . 1 1 68 68 ARG HG2 H 1 1.536 0.01 1 2 . . . . 68 R HG . 16305 1 689 . 1 1 68 68 ARG HG3 H 1 1.536 0.01 1 2 . . . . 68 R HG . 16305 1 690 . 1 1 68 68 ARG C C 13 175.810 0.03 1 1 . . . . 68 R C . 16305 1 691 . 1 1 68 68 ARG CA C 13 57.463 0.03 1 1 . . . . 68 R CA . 16305 1 692 . 1 1 68 68 ARG CB C 13 31.159 0.03 1 1 . . . . 68 R CB . 16305 1 693 . 1 1 68 68 ARG CD C 13 43.015 0.03 1 1 . . . . 68 R CD . 16305 1 694 . 1 1 68 68 ARG CG C 13 28.281 0.03 1 1 . . . . 68 R CG . 16305 1 695 . 1 1 68 68 ARG N N 15 116.846 0.05 1 1 . . . . 68 R N . 16305 1 696 . 1 1 69 69 PHE H H 1 7.754 0.01 1 1 . . . . 69 F H . 16305 1 697 . 1 1 69 69 PHE HA H 1 6.089 0.01 1 1 . . . . 69 F HA . 16305 1 698 . 1 1 69 69 PHE HB2 H 1 2.990 0.01 1 2 . . . . 69 F HB . 16305 1 699 . 1 1 69 69 PHE HB3 H 1 2.990 0.01 1 2 . . . . 69 F HB . 16305 1 700 . 1 1 69 69 PHE CA C 13 52.764 0.03 1 1 . . . . 69 F CA . 16305 1 701 . 1 1 69 69 PHE CB C 13 39.737 0.03 1 1 . . . . 69 F CB . 16305 1 702 . 1 1 69 69 PHE N N 15 120.357 0.05 1 1 . . . . 69 F N . 16305 1 703 . 1 1 70 70 THR H H 1 8.817 0.01 1 1 . . . . 70 T H . 16305 1 704 . 1 1 70 70 THR HA H 1 5.183 0.01 1 1 . . . . 70 T HA . 16305 1 705 . 1 1 70 70 THR HB H 1 3.848 0.01 1 1 . . . . 70 T HB . 16305 1 706 . 1 1 70 70 THR HG21 H 1 1.211 0.01 1 1 . . . . 70 T MG . 16305 1 707 . 1 1 70 70 THR HG22 H 1 1.211 0.01 1 1 . . . . 70 T MG . 16305 1 708 . 1 1 70 70 THR HG23 H 1 1.211 0.01 1 1 . . . . 70 T MG . 16305 1 709 . 1 1 70 70 THR C C 13 174.683 0.03 1 1 . . . . 70 T C . 16305 1 710 . 1 1 70 70 THR CA C 13 61.281 0.03 1 1 . . . . 70 T CA . 16305 1 711 . 1 1 70 70 THR CB C 13 72.451 0.03 1 1 . . . . 70 T CB . 16305 1 712 . 1 1 70 70 THR CG2 C 13 21.719 0.03 1 1 . . . . 70 T CG . 16305 1 713 . 1 1 70 70 THR N N 15 111.915 0.05 1 1 . . . . 70 T N . 16305 1 714 . 1 1 71 71 ILE H H 1 9.406 0.01 1 1 . . . . 71 I H . 16305 1 715 . 1 1 71 71 ILE HA H 1 5.720 0.01 1 1 . . . . 71 I HA . 16305 1 716 . 1 1 71 71 ILE HB H 1 1.707 0.01 1 1 . . . . 71 I HB . 16305 1 717 . 1 1 71 71 ILE HD11 H 1 0.974 0.01 1 1 . . . . 71 I MD . 16305 1 718 . 1 1 71 71 ILE HD12 H 1 0.974 0.01 1 1 . . . . 71 I MD . 16305 1 719 . 1 1 71 71 ILE HD13 H 1 0.974 0.01 1 1 . . . . 71 I MD . 16305 1 720 . 1 1 71 71 ILE HG12 H 1 1.195 0.01 1 2 . . . . 71 I HG12 . 16305 1 721 . 1 1 71 71 ILE HG21 H 1 1.065 0.01 1 1 . . . . 71 I MG . 16305 1 722 . 1 1 71 71 ILE HG22 H 1 1.065 0.01 1 1 . . . . 71 I MG . 16305 1 723 . 1 1 71 71 ILE HG23 H 1 1.065 0.01 1 1 . . . . 71 I MG . 16305 1 724 . 1 1 71 71 ILE C C 13 171.903 0.03 1 1 . . . . 71 I C . 16305 1 725 . 1 1 71 71 ILE CA C 13 58.241 0.03 1 1 . . . . 71 I CA . 16305 1 726 . 1 1 71 71 ILE CB C 13 41.582 0.03 1 1 . . . . 71 I CB . 16305 1 727 . 1 1 71 71 ILE CD1 C 13 15.356 0.03 1 1 . . . . 71 I CD . 16305 1 728 . 1 1 71 71 ILE CG1 C 13 28.817 0.03 1 1 . . . . 71 I CG1 . 16305 1 729 . 1 1 71 71 ILE CG2 C 13 15.393 0.03 1 1 . . . . 71 I CG2 . 16305 1 730 . 1 1 71 71 ILE N N 15 131.037 0.05 1 1 . . . . 71 I N . 16305 1 731 . 1 1 72 72 SER H H 1 8.638 0.01 1 1 . . . . 72 S H . 16305 1 732 . 1 1 72 72 SER HA H 1 4.501 0.01 1 1 . . . . 72 S HA . 16305 1 733 . 1 1 72 72 SER HB2 H 1 3.979 0.01 1 2 . . . . 72 S HB . 16305 1 734 . 1 1 72 72 SER HB3 H 1 3.979 0.01 1 2 . . . . 72 S HB . 16305 1 735 . 1 1 72 72 SER C C 13 171.997 0.03 1 1 . . . . 72 S C . 16305 1 736 . 1 1 72 72 SER CA C 13 58.449 0.03 1 1 . . . . 72 S CA . 16305 1 737 . 1 1 72 72 SER CB C 13 65.788 0.03 1 1 . . . . 72 S CB . 16305 1 738 . 1 1 72 72 SER N N 15 118.808 0.05 1 1 . . . . 72 S N . 16305 1 739 . 1 1 73 73 ARG H H 1 8.955 0.01 1 1 . . . . 73 R H . 16305 1 740 . 1 1 73 73 ARG HA H 1 5.203 0.01 1 1 . . . . 73 R HA . 16305 1 741 . 1 1 73 73 ARG HB2 H 1 1.554 0.01 1 2 . . . . 73 R HB2 . 16305 1 742 . 1 1 73 73 ARG HB3 H 1 1.991 0.01 1 2 . . . . 73 R HB3 . 16305 1 743 . 1 1 73 73 ARG HD2 H 1 3.354 0.01 1 2 . . . . 73 R HD . 16305 1 744 . 1 1 73 73 ARG HD3 H 1 3.354 0.01 1 2 . . . . 73 R HD . 16305 1 745 . 1 1 73 73 ARG HG2 H 1 1.493 0.01 1 2 . . . . 73 R HG2 . 16305 1 746 . 1 1 73 73 ARG HG3 H 1 1.595 0.01 1 2 . . . . 73 R HG3 . 16305 1 747 . 1 1 73 73 ARG C C 13 174.449 0.03 1 1 . . . . 73 R C . 16305 1 748 . 1 1 73 73 ARG CA C 13 55.290 0.03 1 1 . . . . 73 R CA . 16305 1 749 . 1 1 73 73 ARG CB C 13 34.794 0.03 2 1 . . . . 73 R CB . 16305 1 750 . 1 1 73 73 ARG CD C 13 43.816 0.03 1 1 . . . . 73 R CD . 16305 1 751 . 1 1 73 73 ARG CG C 13 27.027 0.03 2 1 . . . . 73 R CG . 16305 1 752 . 1 1 73 73 ARG N N 15 120.221 0.05 1 1 . . . . 73 R N . 16305 1 753 . 1 1 74 74 ASP H H 1 8.934 0.01 1 1 . . . . 74 D H . 16305 1 754 . 1 1 74 74 ASP HA H 1 4.978 0.01 1 1 . . . . 74 D HA . 16305 1 755 . 1 1 74 74 ASP HB2 H 1 2.656 0.01 1 2 . . . . 74 D HB . 16305 1 756 . 1 1 74 74 ASP HB3 H 1 2.656 0.01 1 2 . . . . 74 D HB . 16305 1 757 . 1 1 74 74 ASP C C 13 176.482 0.03 1 1 . . . . 74 D C . 16305 1 758 . 1 1 74 74 ASP CA C 13 52.774 0.03 1 1 . . . . 74 D CA . 16305 1 759 . 1 1 74 74 ASP CB C 13 42.368 0.03 1 1 . . . . 74 D CB . 16305 1 760 . 1 1 74 74 ASP N N 15 125.331 0.05 1 1 . . . . 74 D N . 16305 1 761 . 1 1 75 75 ASN H H 1 8.962 0.01 1 1 . . . . 75 N H . 16305 1 762 . 1 1 75 75 ASN HA H 1 4.448 0.01 1 1 . . . . 75 N HA . 16305 1 763 . 1 1 75 75 ASN HB2 H 1 2.936 0.01 1 2 . . . . 75 N HB . 16305 1 764 . 1 1 75 75 ASN HB3 H 1 2.936 0.01 1 2 . . . . 75 N HB . 16305 1 765 . 1 1 75 75 ASN HD21 H 1 7.069 0.01 1 2 . . . . 75 N HD21 . 16305 1 766 . 1 1 75 75 ASN HD22 H 1 7.600 0.01 1 2 . . . . 75 N HD22 . 16305 1 767 . 1 1 75 75 ASN C C 13 177.907 0.03 1 1 . . . . 75 N C . 16305 1 768 . 1 1 75 75 ASN CA C 13 56.029 0.03 1 1 . . . . 75 N CA . 16305 1 769 . 1 1 75 75 ASN CB C 13 37.971 0.03 1 1 . . . . 75 N CB . 16305 1 770 . 1 1 75 75 ASN N N 15 124.295 0.05 1 1 . . . . 75 N N . 16305 1 771 . 1 1 75 75 ASN ND2 N 15 110.614 0.05 2 1 . . . . 75 N ND2 . 16305 1 772 . 1 1 76 76 ALA H H 1 8.508 0.01 1 1 . . . . 76 A H . 16305 1 773 . 1 1 76 76 ALA HA H 1 4.278 0.01 1 1 . . . . 76 A HA . 16305 1 774 . 1 1 76 76 ALA HB1 H 1 1.558 0.01 1 1 . . . . 76 A MB . 16305 1 775 . 1 1 76 76 ALA HB2 H 1 1.558 0.01 1 1 . . . . 76 A MB . 16305 1 776 . 1 1 76 76 ALA HB3 H 1 1.558 0.01 1 1 . . . . 76 A MB . 16305 1 777 . 1 1 76 76 ALA C C 13 179.504 0.03 1 1 . . . . 76 A C . 16305 1 778 . 1 1 76 76 ALA CA C 13 54.666 0.03 1 1 . . . . 76 A CA . 16305 1 779 . 1 1 76 76 ALA CB C 13 18.650 0.03 1 1 . . . . 76 A CB . 16305 1 780 . 1 1 76 76 ALA N N 15 122.637 0.05 1 1 . . . . 76 A N . 16305 1 781 . 1 1 77 77 GLU H H 1 7.705 0.01 1 1 . . . . 77 E H . 16305 1 782 . 1 1 77 77 GLU HA H 1 4.455 0.01 1 5 . . . . 77 E HA . 16305 1 783 . 1 1 77 77 GLU HG2 H 1 2.445 0.01 1 2 . . . . 77 E HG . 16305 1 784 . 1 1 77 77 GLU HG3 H 1 2.445 0.01 1 2 . . . . 77 E HG . 16305 1 785 . 1 1 77 77 GLU C C 13 177.363 0.03 1 1 . . . . 77 E C . 16305 1 786 . 1 1 77 77 GLU CA C 13 54.973 0.03 1 5 . . . . 77 E CA . 16305 1 787 . 1 1 77 77 GLU CG C 13 35.056 0.03 1 1 . . . . 77 E CG . 16305 1 788 . 1 1 77 77 GLU N N 15 114.435 0.05 1 1 . . . . 77 E N . 16305 1 789 . 1 1 78 78 ASN H H 1 8.366 0.01 1 1 . . . . 78 N H . 16305 1 790 . 1 1 78 78 ASN HA H 1 4.474 0.01 1 1 . . . . 78 N HA . 16305 1 791 . 1 1 78 78 ASN HB2 H 1 3.600 0.01 1 2 . . . . 78 N HB2 . 16305 1 792 . 1 1 78 78 ASN HB3 H 1 2.642 0.01 1 2 . . . . 78 N HB3 . 16305 1 793 . 1 1 78 78 ASN HD21 H 1 7.523 0.01 1 2 . . . . 78 N HD2 . 16305 1 794 . 1 1 78 78 ASN HD22 H 1 7.523 0.01 1 4 . . . . 78 N HD2 . 16305 1 795 . 1 1 78 78 ASN C C 13 173.420 0.03 1 1 . . . . 78 N C . 16305 1 796 . 1 1 78 78 ASN CA C 13 53.231 0.03 1 1 . . . . 78 N CA . 16305 1 797 . 1 1 78 78 ASN CB C 13 37.760 0.03 2 1 . . . . 78 N CB . 16305 1 798 . 1 1 78 78 ASN N N 15 123.751 0.05 1 1 . . . . 78 N N . 16305 1 799 . 1 1 78 78 ASN ND2 N 15 112.399 0.05 1 4 . . . . 78 N ND2 . 16305 1 800 . 1 1 79 79 THR H H 1 7.509 0.01 1 1 . . . . 79 T H . 16305 1 801 . 1 1 79 79 THR HA H 1 5.247 0.01 1 1 . . . . 79 T HA . 16305 1 802 . 1 1 79 79 THR HB H 1 3.510 0.01 1 1 . . . . 79 T HB . 16305 1 803 . 1 1 79 79 THR HG21 H 1 0.537 0.01 1 1 . . . . 79 T MG . 16305 1 804 . 1 1 79 79 THR HG22 H 1 0.537 0.01 1 1 . . . . 79 T MG . 16305 1 805 . 1 1 79 79 THR HG23 H 1 0.537 0.01 1 1 . . . . 79 T MG . 16305 1 806 . 1 1 79 79 THR C C 13 172.088 0.03 1 1 . . . . 79 T C . 16305 1 807 . 1 1 79 79 THR CA C 13 61.193 0.03 1 1 . . . . 79 T CA . 16305 1 808 . 1 1 79 79 THR CB C 13 73.568 0.03 1 1 . . . . 79 T CB . 16305 1 809 . 1 1 79 79 THR CG2 C 13 21.015 0.03 1 1 . . . . 79 T CG . 16305 1 810 . 1 1 79 79 THR N N 15 110.817 0.05 1 1 . . . . 79 T N . 16305 1 811 . 1 1 80 80 VAL H H 1 8.752 0.01 1 1 . . . . 80 V H . 16305 1 812 . 1 1 80 80 VAL HA H 1 4.795 0.01 1 5 . . . . 80 V HA . 16305 1 813 . 1 1 80 80 VAL HB H 1 1.915 0.01 1 1 . . . . 80 V HB . 16305 1 814 . 1 1 80 80 VAL C C 13 174.315 0.03 1 1 . . . . 80 V C . 16305 1 815 . 1 1 80 80 VAL CA C 13 60.162 0.03 1 5 . . . . 80 V CA . 16305 1 816 . 1 1 80 80 VAL CB C 13 34.788 0.03 1 1 . . . . 80 V CB . 16305 1 817 . 1 1 80 80 VAL CG1 C 13 22.023 0.03 1 2 . . . . 80 V CG1 . 16305 1 818 . 1 1 80 80 VAL CG2 C 13 22.023 0.03 1 2 . . . . 80 V CG2 . 16305 1 819 . 1 1 80 80 VAL N N 15 124.181 0.05 1 1 . . . . 80 V N . 16305 1 820 . 1 1 80 80 VAL HG11 H 1 1.107 0.01 1 2 . . . . 80 V HG11 . 16305 1 821 . 1 1 80 80 VAL HG12 H 1 1.107 0.01 1 2 . . . . 80 V HG12 . 16305 1 822 . 1 1 80 80 VAL HG13 H 1 1.107 0.01 1 2 . . . . 80 V HG13 . 16305 1 823 . 1 1 80 80 VAL HG21 H 1 1.107 0.01 1 2 . . . . 80 V HG21 . 16305 1 824 . 1 1 80 80 VAL HG22 H 1 1.107 0.01 1 2 . . . . 80 V HG22 . 16305 1 825 . 1 1 80 80 VAL HG23 H 1 1.107 0.01 1 2 . . . . 80 V HG23 . 16305 1 826 . 1 1 81 81 TYR H H 1 9.366 0.01 1 1 . . . . 81 Y H . 16305 1 827 . 1 1 81 81 TYR HA H 1 5.706 0.01 1 1 . . . . 81 Y HA . 16305 1 828 . 1 1 81 81 TYR HB2 H 1 2.784 0.01 1 2 . . . . 81 Y HB . 16305 1 829 . 1 1 81 81 TYR HB3 H 1 2.784 0.01 1 2 . . . . 81 Y HB . 16305 1 830 . 1 1 81 81 TYR C C 13 176.010 0.03 1 1 . . . . 81 Y C . 16305 1 831 . 1 1 81 81 TYR CA C 13 57.094 0.03 1 1 . . . . 81 Y CA . 16305 1 832 . 1 1 81 81 TYR CB C 13 42.200 0.03 1 1 . . . . 81 Y CB . 16305 1 833 . 1 1 81 81 TYR N N 15 125.152 0.05 1 1 . . . . 81 Y N . 16305 1 834 . 1 1 82 82 LEU H H 1 8.709 0.01 1 1 . . . . 82 L H . 16305 1 835 . 1 1 82 82 LEU HA H 1 4.659 0.01 1 1 . . . . 82 L HA . 16305 1 836 . 1 1 82 82 LEU HB2 H 1 0.658 0.01 1 2 . . . . 82 L HB . 16305 1 837 . 1 1 82 82 LEU HB3 H 1 0.658 0.01 1 2 . . . . 82 L HB . 16305 1 838 . 1 1 82 82 LEU HD11 H 1 0.205 0.01 1 2 . . . . 82 L MD1 . 16305 1 839 . 1 1 82 82 LEU HD12 H 1 0.205 0.01 1 2 . . . . 82 L MD1 . 16305 1 840 . 1 1 82 82 LEU HD13 H 1 0.205 0.01 1 2 . . . . 82 L MD1 . 16305 1 841 . 1 1 82 82 LEU HD21 H 1 0.674 0.01 1 2 . . . . 82 L MD2 . 16305 1 842 . 1 1 82 82 LEU HD22 H 1 0.674 0.01 1 2 . . . . 82 L MD2 . 16305 1 843 . 1 1 82 82 LEU HD23 H 1 0.674 0.01 1 2 . . . . 82 L MD2 . 16305 1 844 . 1 1 82 82 LEU HG H 1 1.266 0.01 1 5 . . . . 82 L HG . 16305 1 845 . 1 1 82 82 LEU C C 13 174.500 0.03 1 1 . . . . 82 L C . 16305 1 846 . 1 1 82 82 LEU CA C 13 53.331 0.03 1 1 . . . . 82 L CA . 16305 1 847 . 1 1 82 82 LEU CB C 13 42.622 0.03 1 1 . . . . 82 L CB . 16305 1 848 . 1 1 82 82 LEU CD1 C 13 25.492 0.03 1 2 . . . . 82 L CD1 . 16305 1 849 . 1 1 82 82 LEU CD2 C 13 22.680 0.03 1 2 . . . . 82 L CD2 . 16305 1 850 . 1 1 82 82 LEU CG C 13 26.866 0.03 1 5 . . . . 82 L CG . 16305 1 851 . 1 1 82 82 LEU N N 15 122.030 0.05 1 1 . . . . 82 L N . 16305 1 852 . 1 1 83 83 GLN H H 1 9.106 0.01 1 1 . . . . 83 Q H . 16305 1 853 . 1 1 83 83 GLN HA H 1 4.443 0.01 1 5 . . . . 83 Q HA . 16305 1 854 . 1 1 83 83 GLN HB2 H 1 1.971 0.01 1 5 . . . . 83 Q HB . 16305 1 855 . 1 1 83 83 GLN HB3 H 1 1.971 0.01 1 5 . . . . 83 Q HB . 16305 1 856 . 1 1 83 83 GLN HE21 H 1 7.652 0.01 1 4 . . . . 83 Q HE21 . 16305 1 857 . 1 1 83 83 GLN HG2 H 1 1.467 0.01 1 2 . . . . 83 Q HG . 16305 1 858 . 1 1 83 83 GLN HG3 H 1 1.915 0.01 1 2 . . . . 83 Q HG . 16305 1 859 . 1 1 83 83 GLN C C 13 174.503 0.03 1 1 . . . . 83 Q C . 16305 1 860 . 1 1 83 83 GLN CA C 13 54.990 0.03 1 5 . . . . 83 Q CA . 16305 1 861 . 1 1 83 83 GLN CB C 13 29.300 0.03 1 5 . . . . 83 Q CB . 16305 1 862 . 1 1 83 83 GLN CG C 13 28.010 0.03 1 1 . . . . 83 Q CG . 16305 1 863 . 1 1 83 83 GLN N N 15 128.512 0.05 1 1 . . . . 83 Q N . 16305 1 864 . 1 1 83 83 GLN NE2 N 15 111.488 0.05 1 4 . . . . 83 Q NE2 . 16305 1 865 . 1 1 84 84 MET H H 1 8.871 0.01 1 1 . . . . 84 M H . 16305 1 866 . 1 1 84 84 MET HA H 1 4.035 0.01 1 1 . . . . 84 M HA . 16305 1 867 . 1 1 84 84 MET HB2 H 1 0.078 0.01 1 2 . . . . 84 M HB . 16305 1 868 . 1 1 84 84 MET HB3 H 1 0.078 0.01 1 2 . . . . 84 M HB . 16305 1 869 . 1 1 84 84 MET HE1 H 1 1.649 0.01 1 5 . . . . 84 M ME . 16305 1 870 . 1 1 84 84 MET HE2 H 1 1.649 0.01 1 5 . . . . 84 M ME . 16305 1 871 . 1 1 84 84 MET HE3 H 1 1.649 0.01 1 5 . . . . 84 M ME . 16305 1 872 . 1 1 84 84 MET HG2 H 1 1.055 0.01 1 2 . . . . 84 M HG2 . 16305 1 873 . 1 1 84 84 MET HG3 H 1 1.752 0.01 1 2 . . . . 84 M HG3 . 16305 1 874 . 1 1 84 84 MET C C 13 173.283 0.03 1 1 . . . . 84 M C . 16305 1 875 . 1 1 84 84 MET CA C 13 54.711 0.03 1 1 . . . . 84 M CA . 16305 1 876 . 1 1 84 84 MET CB C 13 29.938 0.03 1 1 . . . . 84 M CB . 16305 1 877 . 1 1 84 84 MET CE C 13 14.522 0.03 1 5 . . . . 84 M CE . 16305 1 878 . 1 1 84 84 MET CG C 13 35.046 0.03 2 1 . . . . 84 M CG . 16305 1 879 . 1 1 84 84 MET N N 15 127.292 0.05 1 1 . . . . 84 M N . 16305 1 880 . 1 1 85 85 ASN H H 1 7.752 0.01 1 1 . . . . 85 N H . 16305 1 881 . 1 1 85 85 ASN HA H 1 5.151 0.01 1 1 . . . . 85 N HA . 16305 1 882 . 1 1 85 85 ASN HB2 H 1 3.129 0.01 1 2 . . . . 85 N HB2 . 16305 1 883 . 1 1 85 85 ASN HB3 H 1 2.805 0.01 1 2 . . . . 85 N HB3 . 16305 1 884 . 1 1 85 85 ASN HD21 H 1 7.458 0.01 1 2 . . . . 85 N HD2 . 16305 1 885 . 1 1 85 85 ASN HD22 H 1 6.855 0.01 1 2 . . . . 85 N HD2 . 16305 1 886 . 1 1 85 85 ASN C C 13 173.654 0.03 1 1 . . . . 85 N C . 16305 1 887 . 1 1 85 85 ASN CA C 13 51.185 0.03 1 1 . . . . 85 N CA . 16305 1 888 . 1 1 85 85 ASN CB C 13 40.926 0.03 2 1 . . . . 85 N CB . 16305 1 889 . 1 1 85 85 ASN N N 15 119.918 0.05 1 1 . . . . 85 N N . 16305 1 890 . 1 1 85 85 ASN ND2 N 15 113.108 0.05 1 1 . . . . 85 N ND2 . 16305 1 891 . 1 1 86 86 SER H H 1 8.613 0.01 1 1 . . . . 86 S H . 16305 1 892 . 1 1 86 86 SER HA H 1 3.647 0.01 1 1 . . . . 86 S HA . 16305 1 893 . 1 1 86 86 SER HB2 H 1 3.724 0.01 1 2 . . . . 86 S HB . 16305 1 894 . 1 1 86 86 SER HB3 H 1 3.724 0.01 1 2 . . . . 86 S HB . 16305 1 895 . 1 1 86 86 SER C C 13 176.271 0.03 1 1 . . . . 86 S C . 16305 1 896 . 1 1 86 86 SER CA C 13 57.619 0.03 1 1 . . . . 86 S CA . 16305 1 897 . 1 1 86 86 SER CB C 13 62.000 0.03 1 1 . . . . 86 S CB . 16305 1 898 . 1 1 86 86 SER N N 15 111.669 0.05 1 1 . . . . 86 S N . 16305 1 899 . 1 1 87 87 LEU H H 1 8.278 0.01 1 1 . . . . 87 L H . 16305 1 900 . 1 1 87 87 LEU HA H 1 3.943 0.01 1 1 . . . . 87 L HA . 16305 1 901 . 1 1 87 87 LEU HB2 H 1 1.417 0.01 1 2 . . . . 87 L HB2 . 16305 1 902 . 1 1 87 87 LEU HB3 H 1 1.281 0.01 1 2 . . . . 87 L HB3 . 16305 1 903 . 1 1 87 87 LEU HD11 H 1 1.367 0.01 1 2 . . . . 87 L MD1 . 16305 1 904 . 1 1 87 87 LEU HD12 H 1 1.367 0.01 1 2 . . . . 87 L MD1 . 16305 1 905 . 1 1 87 87 LEU HD13 H 1 1.367 0.01 1 2 . . . . 87 L MD1 . 16305 1 906 . 1 1 87 87 LEU HD21 H 1 0.908 0.01 1 2 . . . . 87 L MD2 . 16305 1 907 . 1 1 87 87 LEU HD22 H 1 0.908 0.01 1 2 . . . . 87 L MD2 . 16305 1 908 . 1 1 87 87 LEU HD23 H 1 0.908 0.01 1 2 . . . . 87 L MD2 . 16305 1 909 . 1 1 87 87 LEU HG H 1 0.525 0.01 1 1 . . . . 87 L HG . 16305 1 910 . 1 1 87 87 LEU C C 13 177.304 0.03 1 1 . . . . 87 L C . 16305 1 911 . 1 1 87 87 LEU CA C 13 56.664 0.03 1 1 . . . . 87 L CA . 16305 1 912 . 1 1 87 87 LEU CB C 13 42.888 0.03 2 1 . . . . 87 L CB . 16305 1 913 . 1 1 87 87 LEU CD1 C 13 28.109 0.03 1 2 . . . . 87 L CD1 . 16305 1 914 . 1 1 87 87 LEU CD2 C 13 24.460 0.03 1 2 . . . . 87 L CD2 . 16305 1 915 . 1 1 87 87 LEU CG C 13 26.931 0.03 1 1 . . . . 87 L CG . 16305 1 916 . 1 1 87 87 LEU N N 15 118.727 0.05 1 1 . . . . 87 L N . 16305 1 917 . 1 1 88 88 LYS H H 1 9.695 0.01 1 1 . . . . 88 K H . 16305 1 918 . 1 1 88 88 LYS HA H 1 4.840 0.01 1 1 . . . . 88 K HA . 16305 1 919 . 1 1 88 88 LYS HB2 H 1 1.490 0.01 1 2 . . . . 88 K HB . 16305 1 920 . 1 1 88 88 LYS HB3 H 1 1.490 0.01 1 2 . . . . 88 K HB . 16305 1 921 . 1 1 88 88 LYS HD2 H 1 1.601 0.01 1 2 . . . . 88 K HD . 16305 1 922 . 1 1 88 88 LYS HD3 H 1 1.601 0.01 1 2 . . . . 88 K HD . 16305 1 923 . 1 1 88 88 LYS HE2 H 1 2.911 0.01 1 2 . . . . 88 K HE . 16305 1 924 . 1 1 88 88 LYS HE3 H 1 2.911 0.01 1 2 . . . . 88 K HE . 16305 1 925 . 1 1 88 88 LYS HG2 H 1 1.583 0.01 1 2 . . . . 88 K HG . 16305 1 926 . 1 1 88 88 LYS HG3 H 1 1.583 0.01 1 2 . . . . 88 K HG . 16305 1 927 . 1 1 88 88 LYS CA C 13 53.756 0.03 1 1 . . . . 88 K CA . 16305 1 928 . 1 1 88 88 LYS CB C 13 34.196 0.03 1 1 . . . . 88 K CB . 16305 1 929 . 1 1 88 88 LYS CD C 13 29.591 0.03 1 1 . . . . 88 K CD . 16305 1 930 . 1 1 88 88 LYS CE C 13 42.270 0.03 1 1 . . . . 88 K CE . 16305 1 931 . 1 1 88 88 LYS CG C 13 24.978 0.03 1 1 . . . . 88 K CG . 16305 1 932 . 1 1 88 88 LYS N N 15 122.500 0.05 1 1 . . . . 88 K N . 16305 1 933 . 1 1 89 89 PRO HA H 1 4.289 0.01 1 1 . . . . 89 P HA . 16305 1 934 . 1 1 89 89 PRO HB2 H 1 2.430 0.01 1 2 . . . . 89 P HB . 16305 1 935 . 1 1 89 89 PRO HB3 H 1 2.430 0.01 1 2 . . . . 89 P HB . 16305 1 936 . 1 1 89 89 PRO HD2 H 1 3.872 0.01 1 5 . . . . 89 P HD2 . 16305 1 937 . 1 1 89 89 PRO HD3 H 1 3.623 0.01 1 2 . . . . 89 P HD3 . 16305 1 938 . 1 1 89 89 PRO HG2 H 1 1.674 0.01 1 5 . . . . 89 P HG2 . 16305 1 939 . 1 1 89 89 PRO HG3 H 1 2.296 0.01 1 2 . . . . 89 P HG3 . 16305 1 940 . 1 1 89 89 PRO C C 13 179.143 0.03 1 1 . . . . 89 P C . 16305 1 941 . 1 1 89 89 PRO CA C 13 66.252 0.03 1 1 . . . . 89 P CA . 16305 1 942 . 1 1 89 89 PRO CB C 13 31.943 0.03 1 1 . . . . 89 P CB . 16305 1 943 . 1 1 89 89 PRO CD C 13 50.364 0.03 2 5 . . . . 89 P CD . 16305 1 944 . 1 1 89 89 PRO CG C 13 28.281 0.03 2 5 . . . . 89 P CG . 16305 1 945 . 1 1 90 90 GLU H H 1 9.294 0.01 1 1 . . . . 90 E H . 16305 1 946 . 1 1 90 90 GLU HA H 1 4.296 0.01 1 1 . . . . 90 E HA . 16305 1 947 . 1 1 90 90 GLU HB2 H 1 2.064 0.01 1 2 . . . . 90 E HB . 16305 1 948 . 1 1 90 90 GLU HB3 H 1 2.064 0.01 1 2 . . . . 90 E HB . 16305 1 949 . 1 1 90 90 GLU HG2 H 1 2.234 0.01 1 2 . . . . 90 E HG . 16305 1 950 . 1 1 90 90 GLU HG3 H 1 2.234 0.01 1 2 . . . . 90 E HG . 16305 1 951 . 1 1 90 90 GLU C C 13 175.987 0.03 1 1 . . . . 90 E C . 16305 1 952 . 1 1 90 90 GLU CA C 13 58.875 0.03 1 1 . . . . 90 E CA . 16305 1 953 . 1 1 90 90 GLU CB C 13 28.192 0.03 1 1 . . . . 90 E CB . 16305 1 954 . 1 1 90 90 GLU CG C 13 36.673 0.03 1 1 . . . . 90 E CG . 16305 1 955 . 1 1 90 90 GLU N N 15 115.612 0.05 1 1 . . . . 90 E N . 16305 1 956 . 1 1 91 91 ASP H H 1 8.628 0.01 1 1 . . . . 91 D H . 16305 1 957 . 1 1 91 91 ASP HA H 1 4.342 0.01 1 1 . . . . 91 D HA . 16305 1 958 . 1 1 91 91 ASP HB2 H 1 2.812 0.01 1 2 . . . . 91 D HB . 16305 1 959 . 1 1 91 91 ASP HB3 H 1 2.812 0.01 1 2 . . . . 91 D HB . 16305 1 960 . 1 1 91 91 ASP C C 13 177.283 0.03 1 1 . . . . 91 D C . 16305 1 961 . 1 1 91 91 ASP CA C 13 56.198 0.03 1 1 . . . . 91 D CA . 16305 1 962 . 1 1 91 91 ASP CB C 13 42.223 0.03 1 1 . . . . 91 D CB . 16305 1 963 . 1 1 91 91 ASP N N 15 117.437 0.05 1 1 . . . . 91 D N . 16305 1 964 . 1 1 92 92 THR H H 1 7.945 0.01 1 1 . . . . 92 T H . 16305 1 965 . 1 1 92 92 THR HA H 1 4.385 0.01 1 1 . . . . 92 T HA . 16305 1 966 . 1 1 92 92 THR HB H 1 4.350 0.01 1 1 . . . . 92 T HB . 16305 1 967 . 1 1 92 92 THR HG21 H 1 1.532 0.01 1 1 . . . . 92 T MG . 16305 1 968 . 1 1 92 92 THR HG22 H 1 1.532 0.01 1 1 . . . . 92 T MG . 16305 1 969 . 1 1 92 92 THR HG23 H 1 1.532 0.01 1 1 . . . . 92 T MG . 16305 1 970 . 1 1 92 92 THR C C 13 174.118 0.03 1 1 . . . . 92 T C . 16305 1 971 . 1 1 92 92 THR CA C 13 65.104 0.03 1 1 . . . . 92 T CA . 16305 1 972 . 1 1 92 92 THR CB C 13 70.126 0.03 1 1 . . . . 92 T CB . 16305 1 973 . 1 1 92 92 THR CG2 C 13 21.438 0.03 1 1 . . . . 92 T CG . 16305 1 974 . 1 1 92 92 THR N N 15 120.349 0.05 1 1 . . . . 92 T N . 16305 1 975 . 1 1 93 93 ALA H H 1 9.127 0.01 1 1 . . . . 93 A H . 16305 1 976 . 1 1 93 93 ALA HA H 1 4.574 0.01 1 1 . . . . 93 A HA . 16305 1 977 . 1 1 93 93 ALA HB1 H 1 1.078 0.01 1 1 . . . . 93 A MB . 16305 1 978 . 1 1 93 93 ALA HB2 H 1 1.078 0.01 1 1 . . . . 93 A MB . 16305 1 979 . 1 1 93 93 ALA HB3 H 1 1.078 0.01 1 1 . . . . 93 A MB . 16305 1 980 . 1 1 93 93 ALA C C 13 175.543 0.03 1 1 . . . . 93 A C . 16305 1 981 . 1 1 93 93 ALA CA C 13 52.389 0.03 1 1 . . . . 93 A CA . 16305 1 982 . 1 1 93 93 ALA CB C 13 21.522 0.03 1 1 . . . . 93 A CB . 16305 1 983 . 1 1 93 93 ALA N N 15 127.222 0.05 1 1 . . . . 93 A N . 16305 1 984 . 1 1 94 94 ILE H H 1 7.411 0.01 1 1 . . . . 94 I H . 16305 1 985 . 1 1 94 94 ILE HA H 1 4.438 0.01 1 1 . . . . 94 I HA . 16305 1 986 . 1 1 94 94 ILE HB H 1 1.651 0.01 1 1 . . . . 94 I HB . 16305 1 987 . 1 1 94 94 ILE HD11 H 1 0.883 0.01 1 1 . . . . 94 I MD . 16305 1 988 . 1 1 94 94 ILE HD12 H 1 0.883 0.01 1 1 . . . . 94 I MD . 16305 1 989 . 1 1 94 94 ILE HD13 H 1 0.883 0.01 1 1 . . . . 94 I MD . 16305 1 990 . 1 1 94 94 ILE HG12 H 1 0.854 0.01 1 2 . . . . 94 I HG12 . 16305 1 991 . 1 1 94 94 ILE HG13 H 1 1.665 0.01 1 5 . . . . 94 I HG13 . 16305 1 992 . 1 1 94 94 ILE HG21 H 1 0.382 0.01 1 1 . . . . 94 I MG . 16305 1 993 . 1 1 94 94 ILE HG22 H 1 0.382 0.01 1 1 . . . . 94 I MG . 16305 1 994 . 1 1 94 94 ILE HG23 H 1 0.382 0.01 1 1 . . . . 94 I MG . 16305 1 995 . 1 1 94 94 ILE C C 13 175.725 0.03 1 1 . . . . 94 I C . 16305 1 996 . 1 1 94 94 ILE CA C 13 61.639 0.03 1 1 . . . . 94 I CA . 16305 1 997 . 1 1 94 94 ILE CB C 13 38.547 0.03 1 1 . . . . 94 I CB . 16305 1 998 . 1 1 94 94 ILE CD1 C 13 13.116 0.03 1 1 . . . . 94 I CD . 16305 1 999 . 1 1 94 94 ILE CG1 C 13 28.237 0.03 2 5 . . . . 94 I CG1 . 16305 1 1000 . 1 1 94 94 ILE CG2 C 13 17.752 0.03 1 1 . . . . 94 I CG2 . 16305 1 1001 . 1 1 94 94 ILE N N 15 117.863 0.05 1 1 . . . . 94 I N . 16305 1 1002 . 1 1 95 95 TYR H H 1 9.241 0.01 1 1 . . . . 95 Y H . 16305 1 1003 . 1 1 95 95 TYR HA H 1 5.185 0.01 1 1 . . . . 95 Y HA . 16305 1 1004 . 1 1 95 95 TYR HB2 H 1 2.948 0.01 1 2 . . . . 95 Y HB . 16305 1 1005 . 1 1 95 95 TYR HB3 H 1 2.948 0.01 1 2 . . . . 95 Y HB . 16305 1 1006 . 1 1 95 95 TYR C C 13 175.057 0.03 1 1 . . . . 95 Y C . 16305 1 1007 . 1 1 95 95 TYR CA C 13 57.991 0.03 1 1 . . . . 95 Y CA . 16305 1 1008 . 1 1 95 95 TYR CB C 13 40.871 0.03 1 1 . . . . 95 Y CB . 16305 1 1009 . 1 1 95 95 TYR N N 15 127.364 0.05 1 1 . . . . 95 Y N . 16305 1 1010 . 1 1 96 96 TYR H H 1 9.545 0.01 1 1 . . . . 96 Y H . 16305 1 1011 . 1 1 96 96 TYR HA H 1 5.325 0.01 1 1 . . . . 96 Y HA . 16305 1 1012 . 1 1 96 96 TYR HB2 H 1 2.711 0.01 1 2 . . . . 96 Y HB . 16305 1 1013 . 1 1 96 96 TYR HB3 H 1 2.711 0.01 1 2 . . . . 96 Y HB . 16305 1 1014 . 1 1 96 96 TYR CA C 13 56.359 0.03 1 1 . . . . 96 Y CA . 16305 1 1015 . 1 1 96 96 TYR CB C 13 43.723 0.03 1 1 . . . . 96 Y CB . 16305 1 1016 . 1 1 96 96 TYR N N 15 119.311 0.05 1 1 . . . . 96 Y N . 16305 1 1017 . 1 1 97 97 CYS C C 13 171.553 0.03 1 1 . . . . 97 C C . 16305 1 1018 . 1 1 98 98 ALA H H 1 8.476 0.01 1 1 . . . . 98 A H . 16305 1 1019 . 1 1 98 98 ALA HA H 1 4.584 0.01 1 1 . . . . 98 A HA . 16305 1 1020 . 1 1 98 98 ALA HB1 H 1 0.010 0.01 1 1 . . . . 98 A MB . 16305 1 1021 . 1 1 98 98 ALA HB2 H 1 0.010 0.01 1 1 . . . . 98 A MB . 16305 1 1022 . 1 1 98 98 ALA HB3 H 1 0.010 0.01 1 1 . . . . 98 A MB . 16305 1 1023 . 1 1 98 98 ALA C C 13 175.271 0.03 1 1 . . . . 98 A C . 16305 1 1024 . 1 1 98 98 ALA CA C 13 50.830 0.03 1 1 . . . . 98 A CA . 16305 1 1025 . 1 1 98 98 ALA CB C 13 23.070 0.03 1 1 . . . . 98 A CB . 16305 1 1026 . 1 1 98 98 ALA N N 15 123.372 0.05 1 1 . . . . 98 A N . 16305 1 1027 . 1 1 99 99 ALA H H 1 8.423 0.01 1 1 . . . . 99 A H . 16305 1 1028 . 1 1 99 99 ALA HA H 1 5.634 0.01 1 1 . . . . 99 A HA . 16305 1 1029 . 1 1 99 99 ALA HB1 H 1 1.156 0.01 1 1 . . . . 99 A MB . 16305 1 1030 . 1 1 99 99 ALA HB2 H 1 1.156 0.01 1 1 . . . . 99 A MB . 16305 1 1031 . 1 1 99 99 ALA HB3 H 1 1.156 0.01 1 1 . . . . 99 A MB . 16305 1 1032 . 1 1 99 99 ALA C C 13 173.907 0.03 1 1 . . . . 99 A C . 16305 1 1033 . 1 1 99 99 ALA CA C 13 50.304 0.03 1 1 . . . . 99 A CA . 16305 1 1034 . 1 1 99 99 ALA CB C 13 24.392 0.03 1 1 . . . . 99 A CB . 16305 1 1035 . 1 1 99 99 ALA N N 15 119.217 0.05 1 1 . . . . 99 A N . 16305 1 1036 . 1 1 100 100 LYS H H 1 7.990 0.01 1 1 . . . . 100 K H . 16305 1 1037 . 1 1 100 100 LYS HA H 1 4.399 0.01 2 5 . . . . 100 K HA . 16305 1 1038 . 1 1 100 100 LYS HB2 H 1 1.823 0.01 1 2 . . . . 100 K HB . 16305 1 1039 . 1 1 100 100 LYS HB3 H 1 1.823 0.01 1 2 . . . . 100 K HB . 16305 1 1040 . 1 1 100 100 LYS HD2 H 1 1.070 0.01 1 2 . . . . 100 K HD . 16305 1 1041 . 1 1 100 100 LYS HD3 H 1 1.070 0.01 1 2 . . . . 100 K HD . 16305 1 1042 . 1 1 100 100 LYS HE2 H 1 2.761 0.01 1 2 . . . . 100 K HE . 16305 1 1043 . 1 1 100 100 LYS HE3 H 1 2.761 0.01 1 2 . . . . 100 K HE . 16305 1 1044 . 1 1 100 100 LYS HG2 H 1 0.317 0.01 1 5 . . . . 100 K HG . 16305 1 1045 . 1 1 100 100 LYS HG3 H 1 0.317 0.01 1 5 . . . . 100 K HG . 16305 1 1046 . 1 1 100 100 LYS CA C 13 57.285 0.03 2 5 . . . . 100 K CA . 16305 1 1047 . 1 1 100 100 LYS CB C 13 32.514 0.03 1 1 . . . . 100 K CB . 16305 1 1048 . 1 1 100 100 LYS CD C 13 29.222 0.03 1 1 . . . . 100 K CD . 16305 1 1049 . 1 1 100 100 LYS CE C 13 43.152 0.03 1 1 . . . . 100 K CE . 16305 1 1050 . 1 1 100 100 LYS CG C 13 25.504 0.03 1 5 . . . . 100 K CG . 16305 1 1051 . 1 1 100 100 LYS N N 15 120.891 0.05 1 1 . . . . 100 K N . 16305 1 1052 . 1 1 101 101 PHE HA H 1 4.180 0.01 1 1 . . . . 101 F HA . 16305 1 1053 . 1 1 101 101 PHE HB2 H 1 2.831 0.01 1 2 . . . . 101 F HB2 . 16305 1 1054 . 1 1 101 101 PHE HB3 H 1 3.094 0.01 1 2 . . . . 101 F HB3 . 16305 1 1055 . 1 1 101 101 PHE C C 13 179.504 0.03 1 1 . . . . 101 F C . 16305 1 1056 . 1 1 101 101 PHE CA C 13 60.543 0.03 1 1 . . . . 101 F CA . 16305 1 1057 . 1 1 101 101 PHE CB C 13 39.771 0.03 2 1 . . . . 101 F CB . 16305 1 1058 . 1 1 102 102 SER HA H 1 4.894 0.01 1 1 . . . . 102 S HA . 16305 1 1059 . 1 1 102 102 SER HB2 H 1 3.698 0.01 1 5 . . . . 102 S HB2 . 16305 1 1060 . 1 1 102 102 SER HB3 H 1 3.632 0.01 1 2 . . . . 102 S HB3 . 16305 1 1061 . 1 1 102 102 SER CA C 13 55.446 0.03 1 1 . . . . 102 S CA . 16305 1 1062 . 1 1 102 102 SER CB C 13 63.935 0.03 2 5 . . . . 102 S CB . 16305 1 1063 . 1 1 103 103 PRO HA H 1 3.553 0.01 1 1 . . . . 103 P HA . 16305 1 1064 . 1 1 103 103 PRO HB2 H 1 1.669 0.01 1 2 . . . . 103 P HB2 . 16305 1 1065 . 1 1 103 103 PRO HB3 H 1 1.610 0.01 1 2 . . . . 103 P HB3 . 16305 1 1066 . 1 1 103 103 PRO HD2 H 1 3.505 0.01 1 2 . . . . 103 P HD . 16305 1 1067 . 1 1 103 103 PRO HD3 H 1 3.505 0.01 1 2 . . . . 103 P HD . 16305 1 1068 . 1 1 103 103 PRO HG2 H 1 1.842 0.01 1 2 . . . . 103 P HG . 16305 1 1069 . 1 1 103 103 PRO HG3 H 1 1.842 0.01 1 2 . . . . 103 P HG . 16305 1 1070 . 1 1 103 103 PRO C C 13 176.200 0.03 1 1 . . . . 103 P C . 16305 1 1071 . 1 1 103 103 PRO CA C 13 63.444 0.03 1 1 . . . . 103 P CA . 16305 1 1072 . 1 1 103 103 PRO CB C 13 31.954 0.03 2 1 . . . . 103 P CB . 16305 1 1073 . 1 1 103 103 PRO CD C 13 50.566 0.03 1 1 . . . . 103 P CD . 16305 1 1074 . 1 1 103 103 PRO CG C 13 26.893 0.03 1 1 . . . . 103 P CG . 16305 1 1075 . 1 1 104 104 GLY H H 1 7.763 0.01 1 1 . . . . 104 G H . 16305 1 1076 . 1 1 104 104 GLY HA2 H 1 4.176 0.01 1 2 . . . . 104 G HA2 . 16305 1 1077 . 1 1 104 104 GLY HA3 H 1 3.482 0.01 1 2 . . . . 104 G HA3 . 16305 1 1078 . 1 1 104 104 GLY C C 13 172.228 0.03 1 1 . . . . 104 G C . 16305 1 1079 . 1 1 104 104 GLY CA C 13 44.886 0.03 2 1 . . . . 104 G CA . 16305 1 1080 . 1 1 104 104 GLY N N 15 108.071 0.05 1 1 . . . . 104 G N . 16305 1 1081 . 1 1 105 105 TYR H H 1 7.906 0.01 1 1 . . . . 105 Y H . 16305 1 1082 . 1 1 105 105 TYR HA H 1 4.127 0.01 1 1 . . . . 105 Y HA . 16305 1 1083 . 1 1 105 105 TYR HB2 H 1 2.773 0.01 1 2 . . . . 105 Y HB . 16305 1 1084 . 1 1 105 105 TYR HB3 H 1 2.773 0.01 1 2 . . . . 105 Y HB . 16305 1 1085 . 1 1 105 105 TYR CA C 13 57.665 0.03 1 1 . . . . 105 Y CA . 16305 1 1086 . 1 1 105 105 TYR CB C 13 38.908 0.03 1 1 . . . . 105 Y CB . 16305 1 1087 . 1 1 105 105 TYR N N 15 118.392 0.05 1 1 . . . . 105 Y N . 16305 1 1088 . 1 1 106 106 CYS HB2 H 1 2.884 0.01 1 2 . . . . 106 C HB . 16305 1 1089 . 1 1 106 106 CYS HB3 H 1 2.884 0.01 1 2 . . . . 106 C HB . 16305 1 1090 . 1 1 106 106 CYS C C 13 176.092 0.03 1 1 . . . . 106 C C . 16305 1 1091 . 1 1 106 106 CYS CB C 13 42.290 0.03 1 1 . . . . 106 C CB . 16305 1 1092 . 1 1 107 107 GLY H H 1 8.203 0.01 1 1 . . . . 107 G H . 16305 1 1093 . 1 1 107 107 GLY C C 13 175.045 0.03 1 1 . . . . 107 G C . 16305 1 1094 . 1 1 107 107 GLY N N 15 107.704 0.05 1 1 . . . . 107 G N . 16305 1 1095 . 1 1 108 108 GLY H H 1 8.294 0.01 1 1 . . . . 108 G H . 16305 1 1096 . 1 1 108 108 GLY HA2 H 1 3.898 0.01 1 2 . . . . 108 G HA2 . 16305 1 1097 . 1 1 108 108 GLY HA3 H 1 3.825 0.01 1 2 . . . . 108 G HA3 . 16305 1 1098 . 1 1 108 108 GLY C C 13 174.340 0.03 1 1 . . . . 108 G C . 16305 1 1099 . 1 1 108 108 GLY CA C 13 45.660 0.03 2 1 . . . . 108 G CA . 16305 1 1100 . 1 1 108 108 GLY N N 15 106.717 0.05 1 1 . . . . 108 G N . 16305 1 1101 . 1 1 109 109 SER H H 1 7.277 0.01 1 1 . . . . 109 S H . 16305 1 1102 . 1 1 109 109 SER HA H 1 5.235 0.01 1 5 . . . . 109 S HA . 16305 1 1103 . 1 1 109 109 SER HB2 H 1 3.973 0.01 1 2 . . . . 109 S HB . 16305 1 1104 . 1 1 109 109 SER HB3 H 1 3.973 0.01 1 2 . . . . 109 S HB . 16305 1 1105 . 1 1 109 109 SER C C 13 174.593 0.03 1 1 . . . . 109 S C . 16305 1 1106 . 1 1 109 109 SER CA C 13 57.094 0.03 1 5 . . . . 109 S CA . 16305 1 1107 . 1 1 109 109 SER CB C 13 66.657 0.03 1 1 . . . . 109 S CB . 16305 1 1108 . 1 1 109 109 SER N N 15 112.031 0.05 1 1 . . . . 109 S N . 16305 1 1109 . 1 1 110 110 TRP H H 1 8.825 0.01 1 1 . . . . 110 W H . 16305 1 1110 . 1 1 110 110 TRP HA H 1 4.482 0.01 1 1 . . . . 110 W HA . 16305 1 1111 . 1 1 110 110 TRP HB2 H 1 2.394 0.01 1 2 . . . . 110 W HB2 . 16305 1 1112 . 1 1 110 110 TRP HB3 H 1 2.310 0.01 1 2 . . . . 110 W HB3 . 16305 1 1113 . 1 1 110 110 TRP C C 13 175.964 0.03 1 1 . . . . 110 W C . 16305 1 1114 . 1 1 110 110 TRP CA C 13 56.859 0.03 1 1 . . . . 110 W CA . 16305 1 1115 . 1 1 110 110 TRP CB C 13 29.950 0.03 2 1 . . . . 110 W CB . 16305 1 1116 . 1 1 110 110 TRP N N 15 122.219 0.05 1 1 . . . . 110 W N . 16305 1 1117 . 1 1 111 111 SER H H 1 8.327 0.01 1 1 . . . . 111 S H . 16305 1 1118 . 1 1 111 111 SER HA H 1 4.821 0.01 1 1 . . . . 111 S HA . 16305 1 1119 . 1 1 111 111 SER HB2 H 1 3.892 0.01 1 2 . . . . 111 S HB . 16305 1 1120 . 1 1 111 111 SER HB3 H 1 3.892 0.01 1 2 . . . . 111 S HB . 16305 1 1121 . 1 1 111 111 SER C C 13 173.925 0.03 1 1 . . . . 111 S C . 16305 1 1122 . 1 1 111 111 SER CA C 13 59.121 0.03 1 1 . . . . 111 S CA . 16305 1 1123 . 1 1 111 111 SER CB C 13 64.671 0.03 1 1 . . . . 111 S CB . 16305 1 1124 . 1 1 111 111 SER N N 15 114.960 0.05 1 1 . . . . 111 S N . 16305 1 1125 . 1 1 112 112 ASN H H 1 9.024 0.01 1 1 . . . . 112 N H . 16305 1 1126 . 1 1 112 112 ASN HA H 1 4.459 0.01 1 5 . . . . 112 N HA . 16305 1 1127 . 1 1 112 112 ASN HB2 H 1 2.835 0.01 1 2 . . . . 112 N HB2 . 16305 1 1128 . 1 1 112 112 ASN HB3 H 1 3.058 0.01 1 2 . . . . 112 N HB3 . 16305 1 1129 . 1 1 112 112 ASN HD21 H 1 7.012 0.01 1 4 . . . . 112 N HD21 . 16305 1 1130 . 1 1 112 112 ASN HD22 H 1 7.573 0.01 1 2 . . . . 112 N HD22 . 16305 1 1131 . 1 1 112 112 ASN C C 13 174.593 0.03 1 1 . . . . 112 N C . 16305 1 1132 . 1 1 112 112 ASN CA C 13 54.888 0.03 1 5 . . . . 112 N CA . 16305 1 1133 . 1 1 112 112 ASN CB C 13 37.266 0.03 2 1 . . . . 112 N CB . 16305 1 1134 . 1 1 112 112 ASN N N 15 114.411 0.05 1 1 . . . . 112 N N . 16305 1 1135 . 1 1 112 112 ASN ND2 N 15 112.336 0.05 2 4 . . . . 112 N ND2 . 16305 1 1136 . 1 1 113 113 PHE H H 1 8.568 0.01 1 1 . . . . 113 F H . 16305 1 1137 . 1 1 113 113 PHE HA H 1 4.119 0.01 1 1 . . . . 113 F HA . 16305 1 1138 . 1 1 113 113 PHE HB2 H 1 2.903 0.01 1 2 . . . . 113 F HB . 16305 1 1139 . 1 1 113 113 PHE HB3 H 1 2.903 0.01 1 2 . . . . 113 F HB . 16305 1 1140 . 1 1 113 113 PHE C C 13 175.683 0.03 1 1 . . . . 113 F C . 16305 1 1141 . 1 1 113 113 PHE CA C 13 59.927 0.03 1 1 . . . . 113 F CA . 16305 1 1142 . 1 1 113 113 PHE CB C 13 38.882 0.03 1 1 . . . . 113 F CB . 16305 1 1143 . 1 1 113 113 PHE N N 15 117.630 0.05 1 1 . . . . 113 F N . 16305 1 1144 . 1 1 114 114 GLY H H 1 7.892 0.01 1 1 . . . . 114 G H . 16305 1 1145 . 1 1 114 114 GLY HA2 H 1 3.196 0.01 1 2 . . . . 114 G HA . 16305 1 1146 . 1 1 114 114 GLY HA3 H 1 3.196 0.01 1 2 . . . . 114 G HA . 16305 1 1147 . 1 1 114 114 GLY C C 13 176.290 0.03 1 1 . . . . 114 G C . 16305 1 1148 . 1 1 114 114 GLY CA C 13 44.664 0.03 1 1 . . . . 114 G CA . 16305 1 1149 . 1 1 114 114 GLY N N 15 109.959 0.05 1 1 . . . . 114 G N . 16305 1 1150 . 1 1 115 115 TYR H H 1 8.368 0.01 1 1 . . . . 115 Y H . 16305 1 1151 . 1 1 115 115 TYR HA H 1 4.569 0.01 1 1 . . . . 115 Y HA . 16305 1 1152 . 1 1 115 115 TYR HB2 H 1 2.875 0.01 1 2 . . . . 115 Y HB . 16305 1 1153 . 1 1 115 115 TYR HB3 H 1 2.875 0.01 1 2 . . . . 115 Y HB . 16305 1 1154 . 1 1 115 115 TYR C C 13 176.958 0.03 1 1 . . . . 115 Y C . 16305 1 1155 . 1 1 115 115 TYR CA C 13 57.094 0.03 1 1 . . . . 115 Y CA . 16305 1 1156 . 1 1 115 115 TYR CB C 13 37.983 0.03 1 1 . . . . 115 Y CB . 16305 1 1157 . 1 1 115 115 TYR N N 15 119.278 0.05 1 1 . . . . 115 Y N . 16305 1 1158 . 1 1 116 116 TRP H H 1 8.995 0.01 1 1 . . . . 116 W H . 16305 1 1159 . 1 1 116 116 TRP HA H 1 4.327 0.01 1 1 . . . . 116 W HA . 16305 1 1160 . 1 1 116 116 TRP HB2 H 1 2.077 0.01 1 2 . . . . 116 W HB . 16305 1 1161 . 1 1 116 116 TRP HB3 H 1 2.077 0.01 1 2 . . . . 116 W HB . 16305 1 1162 . 1 1 116 116 TRP C C 13 178.710 0.03 1 1 . . . . 116 W C . 16305 1 1163 . 1 1 116 116 TRP CA C 13 56.489 0.03 1 1 . . . . 116 W CA . 16305 1 1164 . 1 1 116 116 TRP CB C 13 32.687 0.03 1 1 . . . . 116 W CB . 16305 1 1165 . 1 1 116 116 TRP N N 15 117.669 0.05 1 1 . . . . 116 W N . 16305 1 1166 . 1 1 117 117 GLY H H 1 8.858 0.01 1 1 . . . . 117 G H . 16305 1 1167 . 1 1 117 117 GLY HA2 H 1 4.613 0.01 1 2 . . . . 117 G HA . 16305 1 1168 . 1 1 117 117 GLY HA3 H 1 4.613 0.01 1 2 . . . . 117 G HA . 16305 1 1169 . 1 1 117 117 GLY C C 13 174.323 0.03 1 1 . . . . 117 G C . 16305 1 1170 . 1 1 117 117 GLY CA C 13 45.201 0.03 1 1 . . . . 117 G CA . 16305 1 1171 . 1 1 117 117 GLY N N 15 111.773 0.05 1 1 . . . . 117 G N . 16305 1 1172 . 1 1 118 118 GLN H H 1 8.777 0.01 1 1 . . . . 118 Q H . 16305 1 1173 . 1 1 118 118 GLN HA H 1 4.516 0.01 1 1 . . . . 118 Q HA . 16305 1 1174 . 1 1 118 118 GLN HE21 H 1 7.130 0.01 3 5 . . . . 118 Q HE21 . 16305 1 1175 . 1 1 118 118 GLN HE22 H 1 7.840 0.01 1 5 . . . . 118 Q HE22 . 16305 1 1176 . 1 1 118 118 GLN C C 13 177.843 0.03 1 1 . . . . 118 Q C . 16305 1 1177 . 1 1 118 118 GLN CA C 13 57.128 0.03 1 1 . . . . 118 Q CA . 16305 1 1178 . 1 1 118 118 GLN N N 15 117.349 0.05 1 1 . . . . 118 Q N . 16305 1 1179 . 1 1 118 118 GLN NE2 N 15 111.978 0.05 5 5 . . . . 118 Q NE2 . 16305 1 1180 . 1 1 119 119 GLY H H 1 9.349 0.01 1 1 . . . . 119 G H . 16305 1 1181 . 1 1 119 119 GLY HA2 H 1 3.583 0.01 1 2 . . . . 119 G HA2 . 16305 1 1182 . 1 1 119 119 GLY HA3 H 1 3.636 0.01 1 2 . . . . 119 G HA3 . 16305 1 1183 . 1 1 119 119 GLY CA C 13 44.157 0.03 2 1 . . . . 119 G CA . 16305 1 1184 . 1 1 119 119 GLY N N 15 111.581 0.05 1 1 . . . . 119 G N . 16305 1 1185 . 1 1 120 120 THR C C 13 173.498 0.03 1 1 . . . . 120 G C . 16305 1 1186 . 1 1 120 120 THR H H 1 8.832 0.01 1 1 . . . . 120 T H . 16305 1 1187 . 1 1 120 120 THR HA H 1 4.793 0.01 1 5 . . . . 120 T HA . 16305 1 1188 . 1 1 120 120 THR HB H 1 3.863 0.01 1 1 . . . . 120 T HB . 16305 1 1189 . 1 1 120 120 THR HG21 H 1 1.170 0.01 1 1 . . . . 120 T MG . 16305 1 1190 . 1 1 120 120 THR HG22 H 1 1.170 0.01 1 1 . . . . 120 T MG . 16305 1 1191 . 1 1 120 120 THR HG23 H 1 1.170 0.01 1 1 . . . . 120 T MG . 16305 1 1192 . 1 1 120 120 THR CA C 13 60.151 0.03 1 5 . . . . 120 T CA . 16305 1 1193 . 1 1 120 120 THR CB C 13 70.901 0.03 1 1 . . . . 120 T CB . 16305 1 1194 . 1 1 120 120 THR CG2 C 13 20.174 0.03 1 1 . . . . 120 T CG . 16305 1 1195 . 1 1 120 120 THR N N 15 116.693 0.05 1 1 . . . . 120 T N . 16305 1 1196 . 1 1 121 121 GLN H H 1 8.704 0.01 1 1 . . . . 121 Q H . 16305 1 1197 . 1 1 121 121 GLN HA H 1 4.426 0.01 1 1 . . . . 121 Q HA . 16305 1 1198 . 1 1 121 121 GLN HB2 H 1 2.064 0.01 1 2 . . . . 121 Q HB . 16305 1 1199 . 1 1 121 121 GLN HB3 H 1 2.064 0.01 1 2 . . . . 121 Q HB . 16305 1 1200 . 1 1 121 121 GLN HG2 H 1 2.270 0.01 1 2 . . . . 121 Q HG2 . 16305 1 1201 . 1 1 121 121 GLN HG3 H 1 2.084 0.01 1 2 . . . . 121 Q HG3 . 16305 1 1202 . 1 1 121 121 GLN C C 13 174.5 0.03 1 1 . . . . 121 Q C . 16305 1 1203 . 1 1 121 121 GLN CA C 13 57.464 0.03 1 1 . . . . 121 Q CA . 16305 1 1204 . 1 1 121 121 GLN CB C 13 29.457 0.03 1 1 . . . . 121 Q CB . 16305 1 1205 . 1 1 121 121 GLN CG C 13 33.570 0.03 2 1 . . . . 121 Q CG . 16305 1 1206 . 1 1 121 121 GLN N N 15 130.516 0.05 1 1 . . . . 121 Q N . 16305 1 1207 . 1 1 121 121 GLN NE2 N 15 111.277 0.05 1 1 . . . . 121 Q NE2 . 16305 1 1208 . 1 1 121 121 GLN HE21 H 1 7.519 0.01 1 2 . . . . 122 Q HE2 . 16305 1 1209 . 1 1 121 121 GLN HE22 H 1 6.736 0.01 1 2 . . . . 122 Q HE2 . 16305 1 1210 . 1 1 122 122 VAL H H 1 8.875 0.01 1 1 . . . . 122 V H . 16305 1 1211 . 1 1 122 122 VAL HA H 1 4.716 0.01 1 1 . . . . 122 V HA . 16305 1 1212 . 1 1 122 122 VAL HB H 1 2.363 0.01 1 1 . . . . 122 V HB . 16305 1 1213 . 1 1 122 122 VAL HG11 H 1 0.648 0.01 1 2 . . . . 122 V MG1 . 16305 1 1214 . 1 1 122 122 VAL HG12 H 1 0.648 0.01 1 2 . . . . 122 V MG1 . 16305 1 1215 . 1 1 122 122 VAL HG13 H 1 0.648 0.01 1 2 . . . . 122 V MG1 . 16305 1 1216 . 1 1 122 122 VAL HG21 H 1 0.635 0.01 1 2 . . . . 122 V MG2 . 16305 1 1217 . 1 1 122 122 VAL HG22 H 1 0.635 0.01 1 2 . . . . 122 V MG2 . 16305 1 1218 . 1 1 122 122 VAL HG23 H 1 0.635 0.01 1 2 . . . . 122 V MG2 . 16305 1 1219 . 1 1 122 122 VAL C C 13 175.112 0.03 1 1 . . . . 122 V C . 16305 1 1220 . 1 1 122 122 VAL CA C 13 62.177 0.03 1 1 . . . . 122 V CA . 16305 1 1221 . 1 1 122 122 VAL CB C 13 34.099 0.03 1 1 . . . . 122 V CB . 16305 1 1222 . 1 1 122 122 VAL CG1 C 13 22.893 0.03 1 2 . . . . 122 V CG1 . 16305 1 1223 . 1 1 122 122 VAL CG2 C 13 20.005 0.03 1 2 . . . . 122 V CG2 . 16305 1 1224 . 1 1 122 122 VAL N N 15 127.652 0.05 1 1 . . . . 122 V N . 16305 1 1225 . 1 1 123 123 THR H H 1 8.619 0.01 1 1 . . . . 123 T H . 16305 1 1226 . 1 1 123 123 THR HA H 1 4.660 0.01 1 1 . . . . 123 T HA . 16305 1 1227 . 1 1 123 123 THR HB H 1 3.969 0.01 1 1 . . . . 123 T HB . 16305 1 1228 . 1 1 123 123 THR HG21 H 1 1.154 0.01 1 1 . . . . 123 T MG . 16305 1 1229 . 1 1 123 123 THR HG22 H 1 1.154 0.01 1 1 . . . . 123 T MG . 16305 1 1230 . 1 1 123 123 THR HG23 H 1 1.154 0.01 1 1 . . . . 123 T MG . 16305 1 1231 . 1 1 123 123 THR C C 13 172.463 0.03 1 1 . . . . 123 T C . 16305 1 1232 . 1 1 123 123 THR CA C 13 61.785 0.03 1 1 . . . . 123 T CA . 16305 1 1233 . 1 1 123 123 THR CB C 13 70.502 0.03 1 1 . . . . 123 T CB . 16305 1 1234 . 1 1 123 123 THR CG2 C 13 21.851 0.03 1 1 . . . . 123 T CG . 16305 1 1235 . 1 1 123 123 THR N N 15 124.551 0.05 1 1 . . . . 123 T N . 16305 1 1236 . 1 1 124 124 VAL H H 1 8.586 0.01 1 1 . . . . 124 V H . 16305 1 1237 . 1 1 124 124 VAL HA H 1 4.341 0.01 1 1 . . . . 124 V HA . 16305 1 1238 . 1 1 124 124 VAL HB H 1 2.457 0.01 1 1 . . . . 124 V HB . 16305 1 1239 . 1 1 124 124 VAL C C 13 175.844 0.03 1 1 . . . . 124 V C . 16305 1 1240 . 1 1 124 124 VAL CA C 13 59.694 0.03 1 1 . . . . 124 V CA . 16305 1 1241 . 1 1 124 124 VAL CB C 13 32.047 0.03 1 1 . . . . 124 V CB . 16305 1 1242 . 1 1 124 124 VAL CG1 C 13 28.049 0.03 1 2 . . . . 124 V CG1 . 16305 1 1243 . 1 1 124 124 VAL CG2 C 13 28.049 0.03 1 2 . . . . 124 V CG2 . 16305 1 1244 . 1 1 124 124 VAL N N 15 128.240 0.05 1 1 . . . . 124 V N . 16305 1 1245 . 1 1 124 124 VAL HG11 H 1 2.573 0.01 1 2 . . . . 124 V HG11 . 16305 1 1246 . 1 1 124 124 VAL HG12 H 1 2.573 0.01 1 2 . . . . 124 V HG12 . 16305 1 1247 . 1 1 124 124 VAL HG13 H 1 2.573 0.01 1 2 . . . . 124 V HG13 . 16305 1 1248 . 1 1 124 124 VAL HG21 H 1 2.573 0.01 1 2 . . . . 124 V HG21 . 16305 1 1249 . 1 1 124 124 VAL HG22 H 1 2.573 0.01 1 2 . . . . 124 V HG22 . 16305 1 1250 . 1 1 124 124 VAL HG23 H 1 2.573 0.01 1 2 . . . . 124 V HG23 . 16305 1 1251 . 1 1 125 125 SER H H 1 8.518 0.01 1 1 . . . . 125 S H . 16305 1 1252 . 1 1 125 125 SER HA H 1 4.683 0.01 1 1 . . . . 125 S HA . 16305 1 1253 . 1 1 125 125 SER HB2 H 1 3.801 0.01 1 5 . . . . 125 S HB . 16305 1 1254 . 1 1 125 125 SER HB3 H 1 3.801 0.01 1 5 . . . . 125 S HB . 16305 1 1255 . 1 1 125 125 SER C C 13 174.080 0.03 1 1 . . . . 125 S C . 16305 1 1256 . 1 1 125 125 SER CA C 13 57.346 0.03 1 1 . . . . 125 S CA . 16305 1 1257 . 1 1 125 125 SER CB C 13 64.892 0.03 1 5 . . . . 125 S CB . 16305 1 1258 . 1 1 125 125 SER N N 15 121.479 0.05 1 1 . . . . 125 S N . 16305 1 1259 . 1 1 126 126 SER H H 1 8.701 0.01 1 1 . . . . 126 S H . 16305 1 1260 . 1 1 126 126 SER HA H 1 4.498 0.01 1 1 . . . . 126 S HA . 16305 1 1261 . 1 1 126 126 SER HB2 H 1 3.897 0.01 1 2 . . . . 126 S HB . 16305 1 1262 . 1 1 126 126 SER HB3 H 1 3.897 0.01 1 2 . . . . 126 S HB . 16305 1 1263 . 1 1 126 126 SER CA C 13 58.182 0.03 1 1 . . . . 126 S CA . 16305 1 1264 . 1 1 126 126 SER CB C 13 64.138 0.03 1 1 . . . . 126 S CB . 16305 1 1265 . 1 1 126 126 SER N N 15 117.257 0.05 1 1 . . . . 126 S N . 16305 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 2 16305 1 1 3 16305 1 1 17 16305 1 1 18 16305 1 1 121 16305 1 1 122 16305 1 1 376 16305 1 1 856 16305 1 1 1174 16305 1 1 1175 16305 1 2 6 16305 1 2 23 16305 1 2 129 16305 1 2 384 16305 1 2 864 16305 1 2 1179 16305 1 3 83 16305 1 3 408 16305 1 4 86 16305 1 4 380 16305 1 4 411 16305 1 4 860 16305 1 5 97 16305 1 5 243 16305 1 5 244 16305 1 5 291 16305 1 5 292 16305 1 5 636 16305 1 5 637 16305 1 5 1059 16305 1 5 1253 16305 1 5 1254 16305 1 6 100 16305 1 6 247 16305 1 6 295 16305 1 6 640 16305 1 6 1062 16305 1 6 1257 16305 1 7 108 16305 1 7 109 16305 1 8 111 16305 1 8 112 16305 1 8 113 16305 1 8 114 16305 1 8 115 16305 1 8 116 16305 1 9 120 16305 1 9 854 16305 1 9 855 16305 1 10 126 16305 1 10 861 16305 1 11 166 16305 1 11 844 16305 1 12 172 16305 1 12 850 16305 1 13 210 16305 1 13 635 16305 1 13 1102 16305 1 14 213 16305 1 14 639 16305 1 14 1106 16305 1 15 325 16305 1 15 326 16305 1 15 327 16305 1 15 869 16305 1 15 870 16305 1 15 871 16305 1 16 333 16305 1 16 877 16305 1 17 387 16305 1 17 388 16305 1 18 392 16305 1 19 398 16305 1 19 936 16305 1 20 405 16305 1 20 943 16305 1 21 573 16305 1 21 1037 16305 1 22 580 16305 1 22 581 16305 1 22 1044 16305 1 22 1045 16305 1 23 583 16305 1 23 1046 16305 1 24 587 16305 1 24 1050 16305 1 25 643 16305 1 25 812 16305 1 26 652 16305 1 26 815 16305 1 27 782 16305 1 28 786 16305 1 29 938 16305 1 30 944 16305 1 31 991 16305 1 32 999 16305 1 33 1126 16305 1 34 1132 16305 1 35 1187 16305 1 36 1192 16305 1 37 794 16305 1 37 1129 16305 1 38 799 16305 1 38 1135 16305 1 39 372 16305 1 39 853 16305 1 stop_ save_