data_16310 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16310 _Entry.Title ; Backbone assignment of the mutant cL-BABP T91C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-21 _Entry.Accession_date 2009-05-21 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _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 Clelia Cogliati . . . 16310 2 Simona Tomaselli . . . 16310 3 Michael Assfalg . . . 16310 4 Massimo Pedo . . . 16310 5 Lucia Zetta . . . 16310 6 Henriette Molinari . . . 16310 7 Laura Ragona . . . 16310 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Council of National Research (CNR)' . 16310 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16310 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 234 16310 '15N chemical shifts' 114 16310 '1H chemical shifts' 430 16310 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-14 2009-05-21 original author . 16310 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16310 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19754879 _Citation.Full_citation . _Citation.Title 'Disulfide bridge regulates ligand-binding site selectivity in liver bile acid-binding proteins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 276 _Citation.Journal_issue 20 _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 6011 _Citation.Page_last 6023 _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 Clelia Cogliati . . . 16310 1 2 Simona Tomaselli . . . 16310 1 3 Michael Assfalg . . . 16310 1 4 Massimo Pedo . . . 16310 1 5 Lucia Zetta . . . 16310 1 6 Henriette Molinari . . . 16310 1 7 Laura Ragona . . . 16310 1 8 Pasquale Ferranti . . . 16310 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16310 _Assembly.ID 1 _Assembly.Name 'apo cL-BABP T91C' _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 'cL-BABP T91C' 1 $cL-BABP_T91C A . no native no no . . . 16310 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 80 80 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 16310 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cL-BABP_T91C _Entity.Sf_category entity _Entity.Sf_framecode cL-BABP_T91C _Entity.Entry_ID 16310 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cL-BABP_T91C _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 ; AFSGTWQVYAQENYEEFLKA LALPEDLIKMARDIKPIVEI QQKGDDFVVTSKTPRQTVTN SFTLGKEADITTMDGKKLKC TVHLANGKLVCKSEKFSHEQ EVKGNEMVETITFGGVTLIR RSKRV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _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 1 no BMRB 15084 . cl-BABP . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 2 no BMRB 15854 . Gd(III)-chelate . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 3 no BMRB 16309 . holo_T91C . . . . . 100.00 125 100.00 100.00 5.72e-86 . . . . 16310 1 4 no BMRB 16458 . cL-BABP . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 5 no BMRB 17767 . cl_BABP . . . . . 100.00 125 100.00 100.00 5.72e-86 . . . . 16310 1 6 no PDB 1MVG . "Nmr Solution Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Lb-Fabp)" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 7 no PDB 1TVQ . "Crystal Structure Of Apo Chicken Liver Basic Fatty Acid Binding Protein (Or Bile Acid Binding Protein)" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 8 no PDB 1TW4 . "Crystal Structure Of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 9 no PDB 1ZRY . "Nmr Structural Analysis Of Apo Chicken Liver Bile Acid Binding Protein" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 10 no PDB 2JN3 . "Nmr Structure Of Cl-Babp Complexed To Chenodeoxycholic Acid" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 11 no PDB 2K62 . "Nmr Solution Structure Of The Supramolecular Adduct Between A Liver Cytosolic Bile Acid Binding Protein And A Bile Acid-Based G" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 12 no PDB 2LFO . "Nmr Structure Of Cl-BabpSS COMPLEXED WITH GLYCOCHENODEOXYCHOLIC AND Glycocholic Acids" . . . . . 100.00 125 100.00 100.00 5.72e-86 . . . . 16310 1 13 no GB AAK58094 . "liver basic fatty acid binding protein [Gallus gallus]" . . . . . 100.00 126 100.00 100.00 5.24e-86 . . . . 16310 1 14 no GB ADE59142 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 100.00 100.00 6.31e-86 . . . . 16310 1 15 no GB ADE59143 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 99.20 99.20 1.16e-84 . . . . 16310 1 16 no GB ADE59144 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 99.20 99.20 1.16e-84 . . . . 16310 1 17 no GB ADE59145 . "liver basic fatty acid binding protein [synthetic construct]" . . . . . 100.00 135 99.20 99.20 1.16e-84 . . . . 16310 1 18 no PRF 2106165A . "fatty acid-binding protein [Gallus gallus]" . . . . . 100.00 125 99.20 99.20 1.18e-84 . . . . 16310 1 19 no REF NP_989965 . "fatty acid-binding protein, liver [Gallus gallus]" . . . . . 100.00 126 100.00 100.00 5.24e-86 . . . . 16310 1 20 no REF XP_003212677 . "PREDICTED: fatty acid-binding protein, liver [Meleagris gallopavo]" . . . . . 100.00 126 97.60 99.20 4.87e-84 . . . . 16310 1 21 no SP P80226 . "RecName: Full=Fatty acid-binding protein, liver; AltName: Full=Fatty acid-binding protein 1; AltName: Full=Liver basic FABP; Sh" . . . . . 100.00 126 99.20 99.20 1.04e-84 . . . . 16310 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 . ALA . 16310 1 2 . PHE . 16310 1 3 . SER . 16310 1 4 . GLY . 16310 1 5 . THR . 16310 1 6 . TRP . 16310 1 7 . GLN . 16310 1 8 . VAL . 16310 1 9 . TYR . 16310 1 10 . ALA . 16310 1 11 . GLN . 16310 1 12 . GLU . 16310 1 13 . ASN . 16310 1 14 . TYR . 16310 1 15 . GLU . 16310 1 16 . GLU . 16310 1 17 . PHE . 16310 1 18 . LEU . 16310 1 19 . LYS . 16310 1 20 . ALA . 16310 1 21 . LEU . 16310 1 22 . ALA . 16310 1 23 . LEU . 16310 1 24 . PRO . 16310 1 25 . GLU . 16310 1 26 . ASP . 16310 1 27 . LEU . 16310 1 28 . ILE . 16310 1 29 . LYS . 16310 1 30 . MET . 16310 1 31 . ALA . 16310 1 32 . ARG . 16310 1 33 . ASP . 16310 1 34 . ILE . 16310 1 35 . LYS . 16310 1 36 . PRO . 16310 1 37 . ILE . 16310 1 38 . VAL . 16310 1 39 . GLU . 16310 1 40 . ILE . 16310 1 41 . GLN . 16310 1 42 . GLN . 16310 1 43 . LYS . 16310 1 44 . GLY . 16310 1 45 . ASP . 16310 1 46 . ASP . 16310 1 47 . PHE . 16310 1 48 . VAL . 16310 1 49 . VAL . 16310 1 50 . THR . 16310 1 51 . SER . 16310 1 52 . LYS . 16310 1 53 . THR . 16310 1 54 . PRO . 16310 1 55 . ARG . 16310 1 56 . GLN . 16310 1 57 . THR . 16310 1 58 . VAL . 16310 1 59 . THR . 16310 1 60 . ASN . 16310 1 61 . SER . 16310 1 62 . PHE . 16310 1 63 . THR . 16310 1 64 . LEU . 16310 1 65 . GLY . 16310 1 66 . LYS . 16310 1 67 . GLU . 16310 1 68 . ALA . 16310 1 69 . ASP . 16310 1 70 . ILE . 16310 1 71 . THR . 16310 1 72 . THR . 16310 1 73 . MET . 16310 1 74 . ASP . 16310 1 75 . GLY . 16310 1 76 . LYS . 16310 1 77 . LYS . 16310 1 78 . LEU . 16310 1 79 . LYS . 16310 1 80 . CYS . 16310 1 81 . THR . 16310 1 82 . VAL . 16310 1 83 . HIS . 16310 1 84 . LEU . 16310 1 85 . ALA . 16310 1 86 . ASN . 16310 1 87 . GLY . 16310 1 88 . LYS . 16310 1 89 . LEU . 16310 1 90 . VAL . 16310 1 91 . CYS . 16310 1 92 . LYS . 16310 1 93 . SER . 16310 1 94 . GLU . 16310 1 95 . LYS . 16310 1 96 . PHE . 16310 1 97 . SER . 16310 1 98 . HIS . 16310 1 99 . GLU . 16310 1 100 . GLN . 16310 1 101 . GLU . 16310 1 102 . VAL . 16310 1 103 . LYS . 16310 1 104 . GLY . 16310 1 105 . ASN . 16310 1 106 . GLU . 16310 1 107 . MET . 16310 1 108 . VAL . 16310 1 109 . GLU . 16310 1 110 . THR . 16310 1 111 . ILE . 16310 1 112 . THR . 16310 1 113 . PHE . 16310 1 114 . GLY . 16310 1 115 . GLY . 16310 1 116 . VAL . 16310 1 117 . THR . 16310 1 118 . LEU . 16310 1 119 . ILE . 16310 1 120 . ARG . 16310 1 121 . ARG . 16310 1 122 . SER . 16310 1 123 . LYS . 16310 1 124 . ARG . 16310 1 125 . VAL . 16310 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 . ALA 1 1 16310 1 . PHE 2 2 16310 1 . SER 3 3 16310 1 . GLY 4 4 16310 1 . THR 5 5 16310 1 . TRP 6 6 16310 1 . GLN 7 7 16310 1 . VAL 8 8 16310 1 . TYR 9 9 16310 1 . ALA 10 10 16310 1 . GLN 11 11 16310 1 . GLU 12 12 16310 1 . ASN 13 13 16310 1 . TYR 14 14 16310 1 . GLU 15 15 16310 1 . GLU 16 16 16310 1 . PHE 17 17 16310 1 . LEU 18 18 16310 1 . LYS 19 19 16310 1 . ALA 20 20 16310 1 . LEU 21 21 16310 1 . ALA 22 22 16310 1 . LEU 23 23 16310 1 . PRO 24 24 16310 1 . GLU 25 25 16310 1 . ASP 26 26 16310 1 . LEU 27 27 16310 1 . ILE 28 28 16310 1 . LYS 29 29 16310 1 . MET 30 30 16310 1 . ALA 31 31 16310 1 . ARG 32 32 16310 1 . ASP 33 33 16310 1 . ILE 34 34 16310 1 . LYS 35 35 16310 1 . PRO 36 36 16310 1 . ILE 37 37 16310 1 . VAL 38 38 16310 1 . GLU 39 39 16310 1 . ILE 40 40 16310 1 . GLN 41 41 16310 1 . GLN 42 42 16310 1 . LYS 43 43 16310 1 . GLY 44 44 16310 1 . ASP 45 45 16310 1 . ASP 46 46 16310 1 . PHE 47 47 16310 1 . VAL 48 48 16310 1 . VAL 49 49 16310 1 . THR 50 50 16310 1 . SER 51 51 16310 1 . LYS 52 52 16310 1 . THR 53 53 16310 1 . PRO 54 54 16310 1 . ARG 55 55 16310 1 . GLN 56 56 16310 1 . THR 57 57 16310 1 . VAL 58 58 16310 1 . THR 59 59 16310 1 . ASN 60 60 16310 1 . SER 61 61 16310 1 . PHE 62 62 16310 1 . THR 63 63 16310 1 . LEU 64 64 16310 1 . GLY 65 65 16310 1 . LYS 66 66 16310 1 . GLU 67 67 16310 1 . ALA 68 68 16310 1 . ASP 69 69 16310 1 . ILE 70 70 16310 1 . THR 71 71 16310 1 . THR 72 72 16310 1 . MET 73 73 16310 1 . ASP 74 74 16310 1 . GLY 75 75 16310 1 . LYS 76 76 16310 1 . LYS 77 77 16310 1 . LEU 78 78 16310 1 . LYS 79 79 16310 1 . CYS 80 80 16310 1 . THR 81 81 16310 1 . VAL 82 82 16310 1 . HIS 83 83 16310 1 . LEU 84 84 16310 1 . ALA 85 85 16310 1 . ASN 86 86 16310 1 . GLY 87 87 16310 1 . LYS 88 88 16310 1 . LEU 89 89 16310 1 . VAL 90 90 16310 1 . CYS 91 91 16310 1 . LYS 92 92 16310 1 . SER 93 93 16310 1 . GLU 94 94 16310 1 . LYS 95 95 16310 1 . PHE 96 96 16310 1 . SER 97 97 16310 1 . HIS 98 98 16310 1 . GLU 99 99 16310 1 . GLN 100 100 16310 1 . GLU 101 101 16310 1 . VAL 102 102 16310 1 . LYS 103 103 16310 1 . GLY 104 104 16310 1 . ASN 105 105 16310 1 . GLU 106 106 16310 1 . MET 107 107 16310 1 . VAL 108 108 16310 1 . GLU 109 109 16310 1 . THR 110 110 16310 1 . ILE 111 111 16310 1 . THR 112 112 16310 1 . PHE 113 113 16310 1 . GLY 114 114 16310 1 . GLY 115 115 16310 1 . VAL 116 116 16310 1 . THR 117 117 16310 1 . LEU 118 118 16310 1 . ILE 119 119 16310 1 . ARG 120 120 16310 1 . ARG 121 121 16310 1 . SER 122 122 16310 1 . LYS 123 123 16310 1 . ARG 124 124 16310 1 . VAL 125 125 16310 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 16310 _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 $cL-BABP_T91C . 9031 plasmid . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 16310 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 16310 _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 $cL-BABP_T91C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET . . . . . . 16310 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16310 _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 'cL-BABP T91C' '[U-100% 13C; U-100% 15N]' . . 1 $cL-BABP_T91C . . 0.5 . . mM . . . . 16310 1 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 16310 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16310 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16310 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16310 _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 pH 7.2 . pH 16310 1 pressure 1 . atm 16310 1 temperature 298 . K 16310 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16310 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16310 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16310 1 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 16310 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16310 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16310 _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 . 600 cryoprobe . . 16310 1 2 spectrometer_2 Bruker DMX . 500 . . . 16310 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 16310 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16310 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 16310 _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 TSP 'methyl carbons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16310 1 H 1 TSP 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16310 1 N 15 TSP 'methyl carbons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16310 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 16310 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 '2D 1H-15N HSQC' . . . 16310 1 2 '2D 1H-1H TOCSY' . . . 16310 1 3 '2D 1H-1H NOESY' . . . 16310 1 4 '3D CBCA(CO)NH' . . . 16310 1 5 '3D HNCACB' . . . 16310 1 6 '3D 1H-15N TOCSY' . . . 16310 1 7 '3D 1H-15N NOESY' . . . 16310 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '15N isotope effect' 'amide nitrogens' . . . 16310 1 '2H isotope effect' 'amide protons' . . . 16310 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 ALA CA C 13 51.500 0.15 . 1 . . . . 1 A CA . 16310 1 2 . 1 1 1 1 ALA CB C 13 19.900 0.15 . 1 . . . . 1 A CB . 16310 1 3 . 1 1 2 2 PHE H H 1 8.398 0.03 . 1 . . . . 2 F HN . 16310 1 4 . 1 1 2 2 PHE CA C 13 58.520 0.15 . 1 . . . . 2 F CA . 16310 1 5 . 1 1 2 2 PHE CB C 13 38.220 0.15 . 1 . . . . 2 F CB . 16310 1 6 . 1 1 2 2 PHE N N 15 113.000 0.30 . 1 . . . . 2 F N . 16310 1 7 . 1 1 3 3 SER H H 1 8.000 0.03 . 1 . . . . 3 S HN . 16310 1 8 . 1 1 3 3 SER HA H 1 4.405 0.03 . 1 . . . . 3 S HA . 16310 1 9 . 1 1 3 3 SER HB2 H 1 4.011 0.03 . 1 . . . . 3 S HB1 . 16310 1 10 . 1 1 3 3 SER HB3 H 1 4.011 0.03 . 1 . . . . 3 S HB2 . 16310 1 11 . 1 1 3 3 SER CA C 13 57.730 0.15 . 1 . . . . 3 S CA . 16310 1 12 . 1 1 3 3 SER CB C 13 61.590 0.15 . 1 . . . . 3 S CB . 16310 1 13 . 1 1 3 3 SER N N 15 111.188 0.30 . 1 . . . . 3 S N . 16310 1 14 . 1 1 4 4 GLY H H 1 9.058 0.03 . 1 . . . . 4 G HN . 16310 1 15 . 1 1 4 4 GLY HA2 H 1 3.834 0.03 . 1 . . . . 4 G HA1 . 16310 1 16 . 1 1 4 4 GLY HA3 H 1 4.109 0.03 . 1 . . . . 4 G HA2 . 16310 1 17 . 1 1 4 4 GLY CA C 13 41.850 0.15 . 1 . . . . 4 G CA . 16310 1 18 . 1 1 4 4 GLY N N 15 111.375 0.30 . 1 . . . . 4 G N . 16310 1 19 . 1 1 5 5 THR H H 1 8.362 0.03 . 1 . . . . 5 T HN . 16310 1 20 . 1 1 5 5 THR HA H 1 4.845 0.03 . 1 . . . . 5 T HA . 16310 1 21 . 1 1 5 5 THR HB H 1 3.873 0.03 . 1 . . . . 5 T HB . 16310 1 22 . 1 1 5 5 THR HG21 H 1 1.136 0.03 . 1 . . . . 5 T HG21 . 16310 1 23 . 1 1 5 5 THR HG22 H 1 1.136 0.03 . 1 . . . . 5 T HG21 . 16310 1 24 . 1 1 5 5 THR HG23 H 1 1.136 0.03 . 1 . . . . 5 T HG21 . 16310 1 25 . 1 1 5 5 THR CA C 13 60.370 0.15 . 1 . . . . 5 T CA . 16310 1 26 . 1 1 5 5 THR CB C 13 66.900 0.15 . 1 . . . . 5 T CB . 16310 1 27 . 1 1 5 5 THR N N 15 117.680 0.30 . 1 . . . . 5 T N . 16310 1 28 . 1 1 6 6 TRP H H 1 9.502 0.03 . 1 . . . . 6 W HN . 16310 1 29 . 1 1 6 6 TRP HA H 1 5.012 0.03 . 1 . . . . 6 W HA . 16310 1 30 . 1 1 6 6 TRP HB2 H 1 3.213 0.03 . 1 . . . . 6 W HB1 . 16310 1 31 . 1 1 6 6 TRP HB3 H 1 3.213 0.03 . 1 . . . . 6 W HB2 . 16310 1 32 . 1 1 6 6 TRP HE1 H 1 9.487 0.03 . 1 . . . . 6 W HE1 . 16310 1 33 . 1 1 6 6 TRP CA C 13 52.840 0.15 . 1 . . . . 6 W CA . 16310 1 34 . 1 1 6 6 TRP CB C 13 28.330 0.15 . 1 . . . . 6 W CB . 16310 1 35 . 1 1 6 6 TRP N N 15 127.667 0.30 . 1 . . . . 6 W N . 16310 1 36 . 1 1 6 6 TRP NE1 N 15 126.186 0.30 . 1 . . . . 6 W NE1 . 16310 1 37 . 1 1 7 7 GLN H H 1 9.400 0.03 . 1 . . . . 7 Q HN . 16310 1 38 . 1 1 7 7 GLN CA C 13 51.350 0.15 . 1 . . . . 7 Q CA . 16310 1 39 . 1 1 7 7 GLN CB C 13 28.600 0.15 . 1 . . . . 7 Q CB . 16310 1 40 . 1 1 7 7 GLN N N 15 123.500 0.30 . 1 . . . . 7 Q N . 16310 1 41 . 1 1 8 8 VAL H H 1 8.314 0.03 . 1 . . . . 8 V HN . 16310 1 42 . 1 1 8 8 VAL CA C 13 60.960 0.15 . 1 . . . . 8 V CA . 16310 1 43 . 1 1 8 8 VAL CB C 13 29.130 0.15 . 1 . . . . 8 V CB . 16310 1 44 . 1 1 8 8 VAL N N 15 131.320 0.30 . 1 . . . . 8 V N . 16310 1 45 . 1 1 9 9 TYR H H 1 9.518 0.03 . 1 . . . . 9 Y HN . 16310 1 46 . 1 1 9 9 TYR CA C 13 54.133 0.15 . 1 . . . . 9 Y CA . 16310 1 47 . 1 1 9 9 TYR CB C 13 38.030 0.15 . 1 . . . . 9 Y CB . 16310 1 48 . 1 1 9 9 TYR N N 15 124.010 0.30 . 1 . . . . 9 Y N . 16310 1 49 . 1 1 10 10 ALA H H 1 7.366 0.03 . 1 . . . . 10 A HN . 16310 1 50 . 1 1 10 10 ALA HA H 1 4.713 0.03 . 1 . . . . 10 A HA . 16310 1 51 . 1 1 10 10 ALA HB1 H 1 1.234 0.03 . 1 . . . . 10 A HB1 . 16310 1 52 . 1 1 10 10 ALA HB2 H 1 1.234 0.03 . 1 . . . . 10 A HB1 . 16310 1 53 . 1 1 10 10 ALA HB3 H 1 1.234 0.03 . 1 . . . . 10 A HB1 . 16310 1 54 . 1 1 10 10 ALA CA C 13 49.350 0.15 . 1 . . . . 10 A CA . 16310 1 55 . 1 1 10 10 ALA CB C 13 19.860 0.15 . 1 . . . . 10 A CB . 16310 1 56 . 1 1 10 10 ALA N N 15 125.758 0.30 . 1 . . . . 10 A N . 16310 1 57 . 1 1 11 11 GLN H H 1 8.924 0.03 . 1 . . . . 11 Q HN . 16310 1 58 . 1 1 11 11 GLN CA C 13 52.200 0.15 . 1 . . . . 11 Q CA . 16310 1 59 . 1 1 11 11 GLN CB C 13 28.700 0.15 . 1 . . . . 11 Q CB . 16310 1 60 . 1 1 11 11 GLN N N 15 120.407 0.30 . 1 . . . . 11 Q N . 16310 1 61 . 1 1 12 12 GLU H H 1 9.272 0.03 . 1 . . . . 12 E HN . 16310 1 62 . 1 1 12 12 GLU HA H 1 4.497 0.03 . 1 . . . . 12 E HA . 16310 1 63 . 1 1 12 12 GLU HB2 H 1 2.232 0.03 . 1 . . . . 12 E HB1 . 16310 1 64 . 1 1 12 12 GLU HB3 H 1 2.232 0.03 . 1 . . . . 12 E HB2 . 16310 1 65 . 1 1 12 12 GLU HG2 H 1 1.989 0.03 . 1 . . . . 12 E HG1 . 16310 1 66 . 1 1 12 12 GLU HG3 H 1 1.989 0.03 . 1 . . . . 12 E HG2 . 16310 1 67 . 1 1 12 12 GLU CA C 13 53.810 0.15 . 1 . . . . 12 E CA . 16310 1 68 . 1 1 12 12 GLU CB C 13 28.605 0.15 . 1 . . . . 12 E CB . 16310 1 69 . 1 1 12 12 GLU N N 15 124.854 0.30 . 1 . . . . 12 E N . 16310 1 70 . 1 1 13 13 ASN H H 1 9.230 0.03 . 1 . . . . 13 N HN . 16310 1 71 . 1 1 13 13 ASN CA C 13 51.580 0.15 . 1 . . . . 13 N CA . 16310 1 72 . 1 1 13 13 ASN CB C 13 35.380 0.15 . 1 . . . . 13 N CB . 16310 1 73 . 1 1 13 13 ASN N N 15 118.450 0.30 . 1 . . . . 13 N N . 16310 1 74 . 1 1 14 14 TYR H H 1 7.888 0.03 . 1 . . . . 14 Y HN . 16310 1 75 . 1 1 14 14 TYR HA H 1 4.549 0.03 . 1 . . . . 14 Y HA . 16310 1 76 . 1 1 14 14 TYR HB2 H 1 3.158 0.03 . 1 . . . . 14 Y HB1 . 16310 1 77 . 1 1 14 14 TYR HB3 H 1 3.158 0.03 . 1 . . . . 14 Y HB2 . 16310 1 78 . 1 1 14 14 TYR CA C 13 56.612 0.15 . 1 . . . . 14 Y CA . 16310 1 79 . 1 1 14 14 TYR CB C 13 36.400 0.15 . 1 . . . . 14 Y CB . 16310 1 80 . 1 1 14 14 TYR N N 15 118.012 0.30 . 1 . . . . 14 Y N . 16310 1 81 . 1 1 15 15 GLU H H 1 8.986 0.03 . 1 . . . . 15 E HN . 16310 1 82 . 1 1 15 15 GLU HA H 1 3.624 0.03 . 1 . . . . 15 E HA . 16310 1 83 . 1 1 15 15 GLU HB2 H 1 2.212 0.03 . 2 . . . . 15 E HB1 . 16310 1 84 . 1 1 15 15 GLU HB3 H 1 2.055 0.03 . 2 . . . . 15 E HB2 . 16310 1 85 . 1 1 15 15 GLU CA C 13 58.650 0.15 . 1 . . . . 15 E CA . 16310 1 86 . 1 1 15 15 GLU CB C 13 26.520 0.15 . 1 . . . . 15 E CB . 16310 1 87 . 1 1 15 15 GLU N N 15 118.000 0.30 . 1 . . . . 15 E N . 16310 1 88 . 1 1 16 16 GLU H H 1 8.676 0.03 . 1 . . . . 16 E HN . 16310 1 89 . 1 1 16 16 GLU HA H 1 3.913 0.03 . 1 . . . . 16 E HA . 16310 1 90 . 1 1 16 16 GLU HB2 H 1 2.442 0.03 . 2 . . . . 16 E HB1 . 16310 1 91 . 1 1 16 16 GLU HB3 H 1 2.063 0.03 . 2 . . . . 16 E HB2 . 16310 1 92 . 1 1 16 16 GLU CA C 13 57.502 0.15 . 1 . . . . 16 E CA . 16310 1 93 . 1 1 16 16 GLU CB C 13 26.160 0.15 . 1 . . . . 16 E CB . 16310 1 94 . 1 1 16 16 GLU N N 15 118.018 0.30 . 1 . . . . 16 E N . 16310 1 95 . 1 1 17 17 PHE H H 1 8.232 0.03 . 1 . . . . 17 F HN . 16310 1 96 . 1 1 17 17 PHE HA H 1 4.077 0.03 . 1 . . . . 17 F HA . 16310 1 97 . 1 1 17 17 PHE HB2 H 1 3.486 0.03 . 1 . . . . 17 F HB1 . 16310 1 98 . 1 1 17 17 PHE HB3 H 1 3.486 0.03 . 1 . . . . 17 F HB2 . 16310 1 99 . 1 1 17 17 PHE CA C 13 59.920 0.15 . 1 . . . . 17 F CA . 16310 1 100 . 1 1 17 17 PHE CB C 13 37.830 0.15 . 1 . . . . 17 F CB . 16310 1 101 . 1 1 17 17 PHE N N 15 123.395 0.30 . 1 . . . . 17 F N . 16310 1 102 . 1 1 18 18 LEU H H 1 8.533 0.03 . 1 . . . . 18 L HN . 16310 1 103 . 1 1 18 18 LEU HA H 1 3.742 0.03 . 1 . . . . 18 L HA . 16310 1 104 . 1 1 18 18 LEU HB2 H 1 1.805 0.03 . 1 . . . . 18 L HB1 . 16310 1 105 . 1 1 18 18 LEU HB3 H 1 1.805 0.03 . 1 . . . . 18 L HB2 . 16310 1 106 . 1 1 18 18 LEU CA C 13 55.540 0.15 . 1 . . . . 18 L CA . 16310 1 107 . 1 1 18 18 LEU CB C 13 39.300 0.15 . 1 . . . . 18 L CB . 16310 1 108 . 1 1 18 18 LEU N N 15 117.893 0.30 . 1 . . . . 18 L N . 16310 1 109 . 1 1 19 19 LYS H H 1 7.960 0.03 . 1 . . . . 19 K HN . 16310 1 110 . 1 1 19 19 LYS HA H 1 4.011 0.03 . 1 . . . . 19 K HA . 16310 1 111 . 1 1 19 19 LYS HB2 H 1 1.438 0.03 . 2 . . . . 19 K HB1 . 16310 1 112 . 1 1 19 19 LYS HB3 H 1 1.831 0.03 . 2 . . . . 19 K HB2 . 16310 1 113 . 1 1 19 19 LYS CA C 13 57.100 0.15 . 1 . . . . 19 K CA . 16310 1 114 . 1 1 19 19 LYS CB C 13 29.680 0.15 . 1 . . . . 19 K CB . 16310 1 115 . 1 1 19 19 LYS N N 15 117.281 0.30 . 1 . . . . 19 K N . 16310 1 116 . 1 1 20 20 ALA H H 1 8.001 0.03 . 1 . . . . 20 A HN . 16310 1 117 . 1 1 20 20 ALA CA C 13 52.430 0.15 . 1 . . . . 20 A CA . 16310 1 118 . 1 1 20 20 ALA CB C 13 15.300 0.15 . 1 . . . . 20 A CB . 16310 1 119 . 1 1 20 20 ALA N N 15 125.715 0.30 . 1 . . . . 20 A N . 16310 1 120 . 1 1 21 21 LEU H H 1 7.303 0.03 . 1 . . . . 21 L HN . 16310 1 121 . 1 1 21 21 LEU HA H 1 3.762 0.03 . 1 . . . . 21 L HA . 16310 1 122 . 1 1 21 21 LEU HB2 H 1 1.247 0.03 . 2 . . . . 21 L HB1 . 16310 1 123 . 1 1 21 21 LEU HB3 H 1 1.668 0.03 . 2 . . . . 21 L HB2 . 16310 1 124 . 1 1 21 21 LEU CA C 13 52.700 0.15 . 1 . . . . 21 L CA . 16310 1 125 . 1 1 21 21 LEU CB C 13 39.790 0.15 . 1 . . . . 21 L CB . 16310 1 126 . 1 1 21 21 LEU N N 15 116.873 0.30 . 1 . . . . 21 L N . 16310 1 127 . 1 1 22 22 ALA H H 1 8.000 0.03 . 1 . . . . 22 A HN . 16310 1 128 . 1 1 22 22 ALA HA H 1 4.011 0.03 . 1 . . . . 22 A HA . 16310 1 129 . 1 1 22 22 ALA HB1 H 1 1.425 0.03 . 1 . . . . 22 A HB1 . 16310 1 130 . 1 1 22 22 ALA HB2 H 1 1.425 0.03 . 1 . . . . 22 A HB1 . 16310 1 131 . 1 1 22 22 ALA HB3 H 1 1.425 0.03 . 1 . . . . 22 A HB1 . 16310 1 132 . 1 1 22 22 ALA CA C 13 50.120 0.15 . 1 . . . . 22 A CA . 16310 1 133 . 1 1 22 22 ALA CB C 13 13.490 0.15 . 1 . . . . 22 A CB . 16310 1 134 . 1 1 22 22 ALA N N 15 118.259 0.30 . 1 . . . . 22 A N . 16310 1 135 . 1 1 23 23 LEU H H 1 7.135 0.03 . 1 . . . . 23 L HN . 16310 1 136 . 1 1 23 23 LEU HA H 1 4.471 0.03 . 1 . . . . 23 L HA . 16310 1 137 . 1 1 23 23 LEU HB2 H 1 1.326 0.03 . 1 . . . . 23 L HB1 . 16310 1 138 . 1 1 23 23 LEU HB3 H 1 1.326 0.03 . 1 . . . . 23 L HB2 . 16310 1 139 . 1 1 23 23 LEU CA C 13 51.103 0.15 . 1 . . . . 23 L CA . 16310 1 140 . 1 1 23 23 LEU CB C 13 39.226 0.15 . 1 . . . . 23 L CB . 16310 1 141 . 1 1 23 23 LEU N N 15 120.015 0.30 . 1 . . . . 23 L N . 16310 1 142 . 1 1 24 24 PRO CA C 13 60.028 0.15 . 1 . . . . 24 P CA . 16310 1 143 . 1 1 24 24 PRO CB C 13 30.070 0.15 . 1 . . . . 24 P CB . 16310 1 144 . 1 1 25 25 GLU H H 1 8.835 0.03 . 1 . . . . 25 E HN . 16310 1 145 . 1 1 25 25 GLU CA C 13 57.700 0.15 . 1 . . . . 25 E CA . 16310 1 146 . 1 1 25 25 GLU CB C 13 27.270 0.15 . 1 . . . . 25 E CB . 16310 1 147 . 1 1 25 25 GLU N N 15 122.300 0.30 . 1 . . . . 25 E N . 16310 1 148 . 1 1 26 26 ASP H H 1 8.922 0.03 . 1 . . . . 26 D HN . 16310 1 149 . 1 1 26 26 ASP HA H 1 4.326 0.03 . 1 . . . . 26 D HA . 16310 1 150 . 1 1 26 26 ASP HB2 H 1 2.606 0.03 . 1 . . . . 26 D HB1 . 16310 1 151 . 1 1 26 26 ASP HB3 H 1 2.606 0.03 . 1 . . . . 26 D HB2 . 16310 1 152 . 1 1 26 26 ASP CA C 13 54.400 0.15 . 1 . . . . 26 D CA . 16310 1 153 . 1 1 26 26 ASP CB C 13 36.980 0.15 . 1 . . . . 26 D CB . 16310 1 154 . 1 1 26 26 ASP N N 15 116.885 0.30 . 1 . . . . 26 D N . 16310 1 155 . 1 1 27 27 LEU H H 1 7.282 0.03 . 1 . . . . 27 L HN . 16310 1 156 . 1 1 27 27 LEU HA H 1 4.260 0.03 . 1 . . . . 27 L HA . 16310 1 157 . 1 1 27 27 LEU HB2 H 1 1.694 0.03 . 1 . . . . 27 L HB1 . 16310 1 158 . 1 1 27 27 LEU HB3 H 1 1.694 0.03 . 1 . . . . 27 L HB2 . 16310 1 159 . 1 1 27 27 LEU HD11 H 1 0.913 0.03 . 1 . . . . 27 L HD11 . 16310 1 160 . 1 1 27 27 LEU HD12 H 1 0.913 0.03 . 1 . . . . 27 L HD11 . 16310 1 161 . 1 1 27 27 LEU HD13 H 1 0.913 0.03 . 1 . . . . 27 L HD11 . 16310 1 162 . 1 1 27 27 LEU HD21 H 1 0.913 0.03 . 1 . . . . 27 L HD21 . 16310 1 163 . 1 1 27 27 LEU HD22 H 1 0.913 0.03 . 1 . . . . 27 L HD21 . 16310 1 164 . 1 1 27 27 LEU HD23 H 1 0.913 0.03 . 1 . . . . 27 L HD21 . 16310 1 165 . 1 1 27 27 LEU CA C 13 54.500 0.15 . 1 . . . . 27 L CA . 16310 1 166 . 1 1 27 27 LEU CB C 13 39.200 0.15 . 1 . . . . 27 L CB . 16310 1 167 . 1 1 27 27 LEU N N 15 120.495 0.30 . 1 . . . . 27 L N . 16310 1 168 . 1 1 28 28 ILE H H 1 7.892 0.03 . 1 . . . . 28 I HN . 16310 1 169 . 1 1 28 28 ILE HA H 1 3.384 0.03 . 1 . . . . 28 I HA . 16310 1 170 . 1 1 28 28 ILE HB H 1 1.921 0.03 . 1 . . . . 28 I HB . 16310 1 171 . 1 1 28 28 ILE HG21 H 1 0.870 0.03 . 1 . . . . 28 I HG21 . 16310 1 172 . 1 1 28 28 ILE HG22 H 1 0.870 0.03 . 1 . . . . 28 I HG21 . 16310 1 173 . 1 1 28 28 ILE HG23 H 1 0.870 0.03 . 1 . . . . 28 I HG21 . 16310 1 174 . 1 1 28 28 ILE CA C 13 63.850 0.15 . 1 . . . . 28 I CA . 16310 1 175 . 1 1 28 28 ILE CB C 13 35.020 0.15 . 1 . . . . 28 I CB . 16310 1 176 . 1 1 28 28 ILE N N 15 121.486 0.30 . 1 . . . . 28 I N . 16310 1 177 . 1 1 29 29 LYS H H 1 7.850 0.03 . 1 . . . . 29 K HN . 16310 1 178 . 1 1 29 29 LYS CA C 13 57.102 0.15 . 1 . . . . 29 K CA . 16310 1 179 . 1 1 29 29 LYS CB C 13 29.800 0.15 . 1 . . . . 29 K CB . 16310 1 180 . 1 1 29 29 LYS N N 15 117.700 0.30 . 1 . . . . 29 K N . 16310 1 181 . 1 1 30 30 MET H H 1 7.247 0.03 . 1 . . . . 30 M HN . 16310 1 182 . 1 1 30 30 MET CA C 13 54.880 0.15 . 1 . . . . 30 M CA . 16310 1 183 . 1 1 30 30 MET CB C 13 30.758 0.15 . 1 . . . . 30 M CB . 16310 1 184 . 1 1 30 30 MET N N 15 115.290 0.30 . 1 . . . . 30 M N . 16310 1 185 . 1 1 31 31 ALA H H 1 8.057 0.03 . 1 . . . . 31 A HN . 16310 1 186 . 1 1 31 31 ALA HA H 1 4.316 0.03 . 1 . . . . 31 A HA . 16310 1 187 . 1 1 31 31 ALA HB1 H 1 1.409 0.03 . 1 . . . . 31 A HB1 . 16310 1 188 . 1 1 31 31 ALA HB2 H 1 1.409 0.03 . 1 . . . . 31 A HB1 . 16310 1 189 . 1 1 31 31 ALA HB3 H 1 1.409 0.03 . 1 . . . . 31 A HB1 . 16310 1 190 . 1 1 31 31 ALA CA C 13 51.340 0.15 . 1 . . . . 31 A CA . 16310 1 191 . 1 1 31 31 ALA CB C 13 16.950 0.15 . 1 . . . . 31 A CB . 16310 1 192 . 1 1 31 31 ALA N N 15 121.135 0.30 . 1 . . . . 31 A N . 16310 1 193 . 1 1 32 32 ARG H H 1 7.970 0.03 . 1 . . . . 32 R HN . 16310 1 194 . 1 1 32 32 ARG CA C 13 56.800 0.15 . 1 . . . . 32 R CA . 16310 1 195 . 1 1 32 32 ARG CB C 13 27.230 0.15 . 1 . . . . 32 R CB . 16310 1 196 . 1 1 32 32 ARG N N 15 115.930 0.30 . 1 . . . . 32 R N . 16310 1 197 . 1 1 33 33 ASP H H 1 8.005 0.03 . 1 . . . . 33 D HN . 16310 1 198 . 1 1 33 33 ASP HA H 1 4.950 0.03 . 1 . . . . 33 D HA . 16310 1 199 . 1 1 33 33 ASP HB2 H 1 2.954 0.03 . 1 . . . . 33 D HB1 . 16310 1 200 . 1 1 33 33 ASP HB3 H 1 2.954 0.03 . 1 . . . . 33 D HB2 . 16310 1 201 . 1 1 33 33 ASP CA C 13 52.100 0.15 . 1 . . . . 33 D CA . 16310 1 202 . 1 1 33 33 ASP CB C 13 39.280 0.15 . 1 . . . . 33 D CB . 16310 1 203 . 1 1 33 33 ASP N N 15 117.270 0.30 . 1 . . . . 33 D N . 16310 1 204 . 1 1 34 34 ILE H H 1 7.626 0.03 . 1 . . . . 34 I HN . 16310 1 205 . 1 1 34 34 ILE HA H 1 4.172 0.03 . 1 . . . . 34 I HA . 16310 1 206 . 1 1 34 34 ILE HB H 1 2.085 0.03 . 1 . . . . 34 I HB . 16310 1 207 . 1 1 34 34 ILE HD11 H 1 0.956 0.03 . 1 . . . . 34 I HD11 . 16310 1 208 . 1 1 34 34 ILE HD12 H 1 0.956 0.03 . 1 . . . . 34 I HD11 . 16310 1 209 . 1 1 34 34 ILE HD13 H 1 0.956 0.03 . 1 . . . . 34 I HD11 . 16310 1 210 . 1 1 34 34 ILE CA C 13 58.440 0.15 . 1 . . . . 34 I CA . 16310 1 211 . 1 1 34 34 ILE CB C 13 35.700 0.15 . 1 . . . . 34 I CB . 16310 1 212 . 1 1 34 34 ILE N N 15 121.135 0.30 . 1 . . . . 34 I N . 16310 1 213 . 1 1 35 35 LYS H H 1 8.760 0.03 . 1 . . . . 35 K HN . 16310 1 214 . 1 1 35 35 LYS HA H 1 4.802 0.03 . 1 . . . . 35 K HA . 16310 1 215 . 1 1 35 35 LYS HB2 H 1 1.638 0.03 . 1 . . . . 35 K HB1 . 16310 1 216 . 1 1 35 35 LYS HB3 H 1 1.638 0.03 . 1 . . . . 35 K HB2 . 16310 1 217 . 1 1 35 35 LYS CA C 13 50.520 0.15 . 1 . . . . 35 K CA . 16310 1 218 . 1 1 35 35 LYS CB C 13 30.053 0.15 . 1 . . . . 35 K CB . 16310 1 219 . 1 1 35 35 LYS N N 15 129.100 0.30 . 1 . . . . 35 K N . 16310 1 220 . 1 1 36 36 PRO CA C 13 60.170 0.15 . 1 . . . . 36 P CA . 16310 1 221 . 1 1 36 36 PRO CB C 13 30.595 0.15 . 1 . . . . 36 P CB . 16310 1 222 . 1 1 37 37 ILE H H 1 8.099 0.03 . 1 . . . . 37 I HN . 16310 1 223 . 1 1 37 37 ILE HA H 1 4.930 0.03 . 1 . . . . 37 I HA . 16310 1 224 . 1 1 37 37 ILE HB H 1 1.734 0.03 . 1 . . . . 37 I HB . 16310 1 225 . 1 1 37 37 ILE HG12 H 1 0.935 0.03 . 1 . . . . 37 I HG11 . 16310 1 226 . 1 1 37 37 ILE HG13 H 1 1.176 0.03 . 1 . . . . 37 I HG12 . 16310 1 227 . 1 1 37 37 ILE CA C 13 57.887 0.15 . 1 . . . . 37 I CA . 16310 1 228 . 1 1 37 37 ILE CB C 13 37.970 0.15 . 1 . . . . 37 I CB . 16310 1 229 . 1 1 37 37 ILE N N 15 118.478 0.30 . 1 . . . . 37 I N . 16310 1 230 . 1 1 38 38 VAL H H 1 9.600 0.03 . 1 . . . . 38 V HN . 16310 1 231 . 1 1 38 38 VAL HA H 1 5.104 0.03 . 1 . . . . 38 V HA . 16310 1 232 . 1 1 38 38 VAL HB H 1 2.078 0.03 . 1 . . . . 38 V HB . 16310 1 233 . 1 1 38 38 VAL HG11 H 1 0.851 0.03 . 1 . . . . 38 V HG11 . 16310 1 234 . 1 1 38 38 VAL HG12 H 1 0.851 0.03 . 1 . . . . 38 V HG11 . 16310 1 235 . 1 1 38 38 VAL HG13 H 1 0.851 0.03 . 1 . . . . 38 V HG11 . 16310 1 236 . 1 1 38 38 VAL HG21 H 1 0.851 0.03 . 1 . . . . 38 V HG21 . 16310 1 237 . 1 1 38 38 VAL HG22 H 1 0.851 0.03 . 1 . . . . 38 V HG21 . 16310 1 238 . 1 1 38 38 VAL HG23 H 1 0.851 0.03 . 1 . . . . 38 V HG21 . 16310 1 239 . 1 1 38 38 VAL CA C 13 58.500 0.15 . 1 . . . . 38 V CA . 16310 1 240 . 1 1 38 38 VAL CB C 13 32.130 0.15 . 1 . . . . 38 V CB . 16310 1 241 . 1 1 38 38 VAL N N 15 128.891 0.30 . 1 . . . . 38 V N . 16310 1 242 . 1 1 39 39 GLU H H 1 9.637 0.03 . 1 . . . . 39 E HN . 16310 1 243 . 1 1 39 39 GLU HA H 1 5.132 0.03 . 1 . . . . 39 E HA . 16310 1 244 . 1 1 39 39 GLU HB2 H 1 2.242 0.03 . 2 . . . . 39 E HB1 . 16310 1 245 . 1 1 39 39 GLU HB3 H 1 2.078 0.03 . 2 . . . . 39 E HB2 . 16310 1 246 . 1 1 39 39 GLU CA C 13 52.250 0.15 . 1 . . . . 39 E CA . 16310 1 247 . 1 1 39 39 GLU CB C 13 29.820 0.15 . 1 . . . . 39 E CB . 16310 1 248 . 1 1 39 39 GLU N N 15 128.241 0.30 . 1 . . . . 39 E N . 16310 1 249 . 1 1 40 40 ILE H H 1 9.573 0.03 . 1 . . . . 40 I HN . 16310 1 250 . 1 1 40 40 ILE HA H 1 5.186 0.03 . 1 . . . . 40 I HA . 16310 1 251 . 1 1 40 40 ILE HB H 1 2.449 0.03 . 1 . . . . 40 I HB . 16310 1 252 . 1 1 40 40 ILE HG12 H 1 0.913 0.03 . 1 . . . . 40 I HG12 . 16310 1 253 . 1 1 40 40 ILE CA C 13 58.616 0.15 . 1 . . . . 40 I CA . 16310 1 254 . 1 1 40 40 ILE CB C 13 37.566 0.15 . 1 . . . . 40 I CB . 16310 1 255 . 1 1 40 40 ILE N N 15 125.505 0.30 . 1 . . . . 40 I N . 16310 1 256 . 1 1 41 41 GLN H H 1 9.237 0.03 . 1 . . . . 41 Q HN . 16310 1 257 . 1 1 41 41 GLN HA H 1 4.736 0.03 . 1 . . . . 41 Q HA . 16310 1 258 . 1 1 41 41 GLN HB2 H 1 1.973 0.03 . 1 . . . . 41 Q HB1 . 16310 1 259 . 1 1 41 41 GLN HB3 H 1 1.973 0.03 . 1 . . . . 41 Q HB2 . 16310 1 260 . 1 1 41 41 GLN HG2 H 1 2.288 0.03 . 1 . . . . 41 Q HG1 . 16310 1 261 . 1 1 41 41 GLN HG3 H 1 2.288 0.03 . 1 . . . . 41 Q HG2 . 16310 1 262 . 1 1 41 41 GLN CA C 13 52.418 0.15 . 1 . . . . 41 Q CA . 16310 1 263 . 1 1 41 41 GLN CB C 13 29.153 0.15 . 1 . . . . 41 Q CB . 16310 1 264 . 1 1 41 41 GLN N N 15 127.695 0.30 . 1 . . . . 41 Q N . 16310 1 265 . 1 1 42 42 GLN H H 1 8.311 0.03 . 1 . . . . 42 Q HN . 16310 1 266 . 1 1 42 42 GLN HA H 1 4.480 0.03 . 1 . . . . 42 Q HA . 16310 1 267 . 1 1 42 42 GLN HB2 H 1 1.763 0.03 . 1 . . . . 42 Q HB1 . 16310 1 268 . 1 1 42 42 GLN HB3 H 1 1.763 0.03 . 1 . . . . 42 Q HB2 . 16310 1 269 . 1 1 42 42 GLN HG2 H 1 1.067 0.03 . 1 . . . . 42 Q HG1 . 16310 1 270 . 1 1 42 42 GLN HG3 H 1 1.067 0.03 . 1 . . . . 42 Q HG2 . 16310 1 271 . 1 1 42 42 GLN CA C 13 51.708 0.15 . 1 . . . . 42 Q CA . 16310 1 272 . 1 1 42 42 GLN CB C 13 27.877 0.15 . 1 . . . . 42 Q CB . 16310 1 273 . 1 1 42 42 GLN N N 15 125.536 0.30 . 1 . . . . 42 Q N . 16310 1 274 . 1 1 43 43 LYS H H 1 8.814 0.03 . 1 . . . . 43 K HN . 16310 1 275 . 1 1 43 43 LYS HA H 1 4.398 0.03 . 1 . . . . 43 K HA . 16310 1 276 . 1 1 43 43 LYS HB2 H 1 1.654 0.03 . 1 . . . . 43 K HB1 . 16310 1 277 . 1 1 43 43 LYS HB3 H 1 1.654 0.03 . 1 . . . . 43 K HB2 . 16310 1 278 . 1 1 43 43 LYS HE2 H 1 2.921 0.03 . 1 . . . . 43 K HE1 . 16310 1 279 . 1 1 43 43 LYS HE3 H 1 2.921 0.03 . 1 . . . . 43 K HE2 . 16310 1 280 . 1 1 43 43 LYS HG2 H 1 1.287 0.03 . 1 . . . . 43 K HG1 . 16310 1 281 . 1 1 43 43 LYS HG3 H 1 1.287 0.03 . 1 . . . . 43 K HG2 . 16310 1 282 . 1 1 43 43 LYS CA C 13 52.854 0.15 . 1 . . . . 43 K CA . 16310 1 283 . 1 1 43 43 LYS CB C 13 30.794 0.15 . 1 . . . . 43 K CB . 16310 1 284 . 1 1 43 43 LYS N N 15 130.166 0.30 . 1 . . . . 43 K N . 16310 1 285 . 1 1 44 44 GLY H H 1 8.940 0.03 . 1 . . . . 44 G HN . 16310 1 286 . 1 1 44 44 GLY CA C 13 45.011 0.15 . 1 . . . . 44 G CA . 16310 1 287 . 1 1 44 44 GLY N N 15 117.303 0.30 . 1 . . . . 44 G N . 16310 1 288 . 1 1 45 45 ASP H H 1 8.850 0.03 . 1 . . . . 45 D HN . 16310 1 289 . 1 1 45 45 ASP HA H 1 4.818 0.03 . 1 . . . . 45 D HA . 16310 1 290 . 1 1 45 45 ASP HB2 H 1 2.652 0.03 . 2 . . . . 45 D HB1 . 16310 1 291 . 1 1 45 45 ASP HB3 H 1 3.112 0.03 . 2 . . . . 45 D HB2 . 16310 1 292 . 1 1 45 45 ASP CA C 13 52.079 0.15 . 1 . . . . 45 D CA . 16310 1 293 . 1 1 45 45 ASP CB C 13 38.917 0.15 . 1 . . . . 45 D CB . 16310 1 294 . 1 1 45 45 ASP N N 15 127.500 0.30 . 1 . . . . 45 D N . 16310 1 295 . 1 1 46 46 ASP H H 1 8.011 0.03 . 1 . . . . 46 D HN . 16310 1 296 . 1 1 46 46 ASP HA H 1 5.281 0.03 . 1 . . . . 46 D HA . 16310 1 297 . 1 1 46 46 ASP HB2 H 1 2.730 0.03 . 2 . . . . 46 D HB1 . 16310 1 298 . 1 1 46 46 ASP HB3 H 1 2.889 0.03 . 2 . . . . 46 D HB2 . 16310 1 299 . 1 1 46 46 ASP CA C 13 51.740 0.15 . 1 . . . . 46 D CA . 16310 1 300 . 1 1 46 46 ASP CB C 13 39.330 0.15 . 1 . . . . 46 D CB . 16310 1 301 . 1 1 46 46 ASP N N 15 119.870 0.30 . 1 . . . . 46 D N . 16310 1 302 . 1 1 47 47 PHE H H 1 9.276 0.03 . 1 . . . . 47 F HN . 16310 1 303 . 1 1 47 47 PHE HA H 1 5.084 0.03 . 1 . . . . 47 F HA . 16310 1 304 . 1 1 47 47 PHE CA C 13 54.230 0.15 . 1 . . . . 47 F CA . 16310 1 305 . 1 1 47 47 PHE CB C 13 41.170 0.15 . 1 . . . . 47 F CB . 16310 1 306 . 1 1 47 47 PHE N N 15 121.399 0.30 . 1 . . . . 47 F N . 16310 1 307 . 1 1 48 48 VAL H H 1 8.566 0.03 . 1 . . . . 48 V HN . 16310 1 308 . 1 1 48 48 VAL HA H 1 4.518 0.03 . 1 . . . . 48 V HA . 16310 1 309 . 1 1 48 48 VAL HB H 1 1.880 0.03 . 1 . . . . 48 V HB . 16310 1 310 . 1 1 48 48 VAL HG11 H 1 0.867 0.03 . 1 . . . . 48 V HG11 . 16310 1 311 . 1 1 48 48 VAL HG12 H 1 0.867 0.03 . 1 . . . . 48 V HG11 . 16310 1 312 . 1 1 48 48 VAL HG13 H 1 0.867 0.03 . 1 . . . . 48 V HG11 . 16310 1 313 . 1 1 48 48 VAL HG21 H 1 0.867 0.03 . 1 . . . . 48 V HG21 . 16310 1 314 . 1 1 48 48 VAL HG22 H 1 0.867 0.03 . 1 . . . . 48 V HG21 . 16310 1 315 . 1 1 48 48 VAL HG23 H 1 0.867 0.03 . 1 . . . . 48 V HG21 . 16310 1 316 . 1 1 48 48 VAL CA C 13 60.272 0.15 . 1 . . . . 48 V CA . 16310 1 317 . 1 1 48 48 VAL CB C 13 31.910 0.15 . 1 . . . . 48 V CB . 16310 1 318 . 1 1 48 48 VAL N N 15 121.664 0.30 . 1 . . . . 48 V N . 16310 1 319 . 1 1 49 49 VAL H H 1 9.315 0.03 . 1 . . . . 49 V HN . 16310 1 320 . 1 1 49 49 VAL HA H 1 5.077 0.03 . 1 . . . . 49 V HA . 16310 1 321 . 1 1 49 49 VAL HB H 1 2.103 0.03 . 1 . . . . 49 V HB . 16310 1 322 . 1 1 49 49 VAL HG11 H 1 0.987 0.03 . 1 . . . . 49 V HG11 . 16310 1 323 . 1 1 49 49 VAL HG12 H 1 0.987 0.03 . 1 . . . . 49 V HG11 . 16310 1 324 . 1 1 49 49 VAL HG13 H 1 0.987 0.03 . 1 . . . . 49 V HG11 . 16310 1 325 . 1 1 49 49 VAL HG21 H 1 0.987 0.03 . 1 . . . . 49 V HG21 . 16310 1 326 . 1 1 49 49 VAL HG22 H 1 0.987 0.03 . 1 . . . . 49 V HG21 . 16310 1 327 . 1 1 49 49 VAL HG23 H 1 0.987 0.03 . 1 . . . . 49 V HG21 . 16310 1 328 . 1 1 49 49 VAL CA C 13 59.020 0.15 . 1 . . . . 49 V CA . 16310 1 329 . 1 1 49 49 VAL CB C 13 31.941 0.15 . 1 . . . . 49 V CB . 16310 1 330 . 1 1 49 49 VAL N N 15 128.042 0.30 . 1 . . . . 49 V N . 16310 1 331 . 1 1 50 50 THR H H 1 9.741 0.03 . 1 . . . . 50 T HN . 16310 1 332 . 1 1 50 50 THR HA H 1 5.406 0.03 . 1 . . . . 50 T HA . 16310 1 333 . 1 1 50 50 THR HB H 1 4.111 0.03 . 1 . . . . 50 T HB . 16310 1 334 . 1 1 50 50 THR HG21 H 1 1.152 0.03 . 1 . . . . 50 T HG21 . 16310 1 335 . 1 1 50 50 THR HG22 H 1 1.152 0.03 . 1 . . . . 50 T HG21 . 16310 1 336 . 1 1 50 50 THR HG23 H 1 1.152 0.03 . 1 . . . . 50 T HG21 . 16310 1 337 . 1 1 50 50 THR CA C 13 59.148 0.15 . 1 . . . . 50 T CA . 16310 1 338 . 1 1 50 50 THR CB C 13 68.330 0.15 . 1 . . . . 50 T CB . 16310 1 339 . 1 1 50 50 THR N N 15 127.771 0.30 . 1 . . . . 50 T N . 16310 1 340 . 1 1 51 51 SER H H 1 9.375 0.03 . 1 . . . . 51 S HN . 16310 1 341 . 1 1 51 51 SER HA H 1 5.406 0.03 . 1 . . . . 51 S HA . 16310 1 342 . 1 1 51 51 SER HB2 H 1 3.826 0.03 . 1 . . . . 51 S HB1 . 16310 1 343 . 1 1 51 51 SER HB3 H 1 3.826 0.03 . 1 . . . . 51 S HB2 . 16310 1 344 . 1 1 51 51 SER CA C 13 54.604 0.15 . 1 . . . . 51 S CA . 16310 1 345 . 1 1 51 51 SER CB C 13 62.120 0.15 . 1 . . . . 51 S CB . 16310 1 346 . 1 1 51 51 SER N N 15 122.729 0.30 . 1 . . . . 51 S N . 16310 1 347 . 1 1 52 52 LYS H H 1 9.639 0.03 . 1 . . . . 52 K HN . 16310 1 348 . 1 1 52 52 LYS CA C 13 53.963 0.15 . 1 . . . . 52 K CA . 16310 1 349 . 1 1 52 52 LYS CB C 13 33.330 0.15 . 1 . . . . 52 K CB . 16310 1 350 . 1 1 52 52 LYS N N 15 126.067 0.30 . 1 . . . . 52 K N . 16310 1 351 . 1 1 53 53 THR H H 1 8.525 0.03 . 1 . . . . 53 T HN . 16310 1 352 . 1 1 53 53 THR CA C 13 56.700 0.15 . 1 . . . . 53 T CA . 16310 1 353 . 1 1 53 53 THR CB C 13 67.108 0.15 . 1 . . . . 53 T CB . 16310 1 354 . 1 1 53 53 THR N N 15 115.980 0.30 . 1 . . . . 53 T N . 16310 1 355 . 1 1 54 54 PRO CA C 13 63.196 0.15 . 1 . . . . 54 P CA . 16310 1 356 . 1 1 54 54 PRO CB C 13 29.576 0.15 . 1 . . . . 54 P CB . 16310 1 357 . 1 1 55 55 ARG H H 1 7.973 0.03 . 1 . . . . 55 R HN . 16310 1 358 . 1 1 55 55 ARG HA H 1 4.416 0.03 . 1 . . . . 55 R HA . 16310 1 359 . 1 1 55 55 ARG HB2 H 1 1.660 0.03 . 1 . . . . 55 R HB1 . 16310 1 360 . 1 1 55 55 ARG HB3 H 1 1.660 0.03 . 1 . . . . 55 R HB2 . 16310 1 361 . 1 1 55 55 ARG HD2 H 1 3.206 0.03 . 1 . . . . 55 R HD1 . 16310 1 362 . 1 1 55 55 ARG HD3 H 1 3.206 0.03 . 1 . . . . 55 R HD2 . 16310 1 363 . 1 1 55 55 ARG CA C 13 53.759 0.15 . 1 . . . . 55 R CA . 16310 1 364 . 1 1 55 55 ARG CB C 13 29.393 0.15 . 1 . . . . 55 R CB . 16310 1 365 . 1 1 55 55 ARG N N 15 111.487 0.30 . 1 . . . . 55 R N . 16310 1 366 . 1 1 56 56 GLN H H 1 7.605 0.03 . 1 . . . . 56 Q HN . 16310 1 367 . 1 1 56 56 GLN HA H 1 4.715 0.03 . 1 . . . . 56 Q HA . 16310 1 368 . 1 1 56 56 GLN HB2 H 1 1.945 0.03 . 1 . . . . 56 Q HB1 . 16310 1 369 . 1 1 56 56 GLN HB3 H 1 1.945 0.03 . 1 . . . . 56 Q HB2 . 16310 1 370 . 1 1 56 56 GLN HG2 H 1 2.175 0.03 . 1 . . . . 56 Q HG1 . 16310 1 371 . 1 1 56 56 GLN HG3 H 1 2.175 0.03 . 1 . . . . 56 Q HG2 . 16310 1 372 . 1 1 56 56 GLN CA C 13 52.510 0.15 . 1 . . . . 56 Q CA . 16310 1 373 . 1 1 56 56 GLN CB C 13 29.869 0.15 . 1 . . . . 56 Q CB . 16310 1 374 . 1 1 56 56 GLN N N 15 117.772 0.30 . 1 . . . . 56 Q N . 16310 1 375 . 1 1 57 57 THR H H 1 8.698 0.03 . 1 . . . . 57 T HN . 16310 1 376 . 1 1 57 57 THR CA C 13 59.895 0.15 . 1 . . . . 57 T CA . 16310 1 377 . 1 1 57 57 THR CB C 13 68.363 0.15 . 1 . . . . 57 T CB . 16310 1 378 . 1 1 57 57 THR N N 15 123.265 0.30 . 1 . . . . 57 T N . 16310 1 379 . 1 1 58 58 VAL H H 1 8.889 0.03 . 1 . . . . 58 V HN . 16310 1 380 . 1 1 58 58 VAL HA H 1 4.434 0.03 . 1 . . . . 58 V HA . 16310 1 381 . 1 1 58 58 VAL HB H 1 2.007 0.03 . 1 . . . . 58 V HB . 16310 1 382 . 1 1 58 58 VAL HG11 H 1 0.889 0.03 . 1 . . . . 58 V HG11 . 16310 1 383 . 1 1 58 58 VAL HG12 H 1 0.889 0.03 . 1 . . . . 58 V HG11 . 16310 1 384 . 1 1 58 58 VAL HG13 H 1 0.889 0.03 . 1 . . . . 58 V HG11 . 16310 1 385 . 1 1 58 58 VAL HG21 H 1 0.889 0.03 . 1 . . . . 58 V HG21 . 16310 1 386 . 1 1 58 58 VAL HG22 H 1 0.889 0.03 . 1 . . . . 58 V HG21 . 16310 1 387 . 1 1 58 58 VAL HG23 H 1 0.889 0.03 . 1 . . . . 58 V HG21 . 16310 1 388 . 1 1 58 58 VAL CA C 13 59.287 0.15 . 1 . . . . 58 V CA . 16310 1 389 . 1 1 58 58 VAL CB C 13 32.648 0.15 . 1 . . . . 58 V CB . 16310 1 390 . 1 1 58 58 VAL N N 15 127.016 0.30 . 1 . . . . 58 V N . 16310 1 391 . 1 1 59 59 THR H H 1 8.965 0.03 . 1 . . . . 59 T HN . 16310 1 392 . 1 1 59 59 THR HA H 1 5.232 0.03 . 1 . . . . 59 T HA . 16310 1 393 . 1 1 59 59 THR HB H 1 4.374 0.03 . 1 . . . . 59 T HB . 16310 1 394 . 1 1 59 59 THR HG21 H 1 1.123 0.03 . 1 . . . . 59 T HG21 . 16310 1 395 . 1 1 59 59 THR HG22 H 1 1.123 0.03 . 1 . . . . 59 T HG21 . 16310 1 396 . 1 1 59 59 THR HG23 H 1 1.123 0.03 . 1 . . . . 59 T HG21 . 16310 1 397 . 1 1 59 59 THR CA C 13 59.310 0.15 . 1 . . . . 59 T CA . 16310 1 398 . 1 1 59 59 THR CB C 13 68.202 0.15 . 1 . . . . 59 T CB . 16310 1 399 . 1 1 59 59 THR N N 15 125.520 0.30 . 1 . . . . 59 T N . 16310 1 400 . 1 1 60 60 ASN H H 1 9.240 0.03 . 1 . . . . 60 N HN . 16310 1 401 . 1 1 60 60 ASN CA C 13 50.139 0.15 . 1 . . . . 60 N CA . 16310 1 402 . 1 1 60 60 ASN CB C 13 40.688 0.15 . 1 . . . . 60 N CB . 16310 1 403 . 1 1 60 60 ASN N N 15 125.304 0.30 . 1 . . . . 60 N N . 16310 1 404 . 1 1 61 61 SER H H 1 8.810 0.03 . 1 . . . . 61 S HN . 16310 1 405 . 1 1 61 61 SER HA H 1 5.358 0.03 . 1 . . . . 61 S HA . 16310 1 406 . 1 1 61 61 SER HB2 H 1 3.876 0.03 . 1 . . . . 61 S HB1 . 16310 1 407 . 1 1 61 61 SER HB3 H 1 3.876 0.03 . 1 . . . . 61 S HB2 . 16310 1 408 . 1 1 61 61 SER CA C 13 54.430 0.15 . 1 . . . . 61 S CA . 16310 1 409 . 1 1 61 61 SER CB C 13 62.690 0.15 . 1 . . . . 61 S CB . 16310 1 410 . 1 1 61 61 SER N N 15 116.880 0.30 . 1 . . . . 61 S N . 16310 1 411 . 1 1 62 62 PHE H H 1 8.342 0.03 . 1 . . . . 62 F HN . 16310 1 412 . 1 1 62 62 PHE HA H 1 5.028 0.03 . 1 . . . . 62 F HA . 16310 1 413 . 1 1 62 62 PHE HB2 H 1 3.876 0.03 . 1 . . . . 62 F HB1 . 16310 1 414 . 1 1 62 62 PHE HB3 H 1 3.876 0.03 . 1 . . . . 62 F HB2 . 16310 1 415 . 1 1 62 62 PHE CA C 13 53.974 0.15 . 1 . . . . 62 F CA . 16310 1 416 . 1 1 62 62 PHE CB C 13 38.079 0.15 . 1 . . . . 62 F CB . 16310 1 417 . 1 1 62 62 PHE N N 15 118.996 0.30 . 1 . . . . 62 F N . 16310 1 418 . 1 1 63 63 THR H H 1 9.231 0.03 . 1 . . . . 63 T HN . 16310 1 419 . 1 1 63 63 THR HA H 1 5.508 0.03 . 1 . . . . 63 T HA . 16310 1 420 . 1 1 63 63 THR HB H 1 3.693 0.03 . 1 . . . . 63 T HB . 16310 1 421 . 1 1 63 63 THR HG21 H 1 1.443 0.03 . 1 . . . . 63 T HG21 . 16310 1 422 . 1 1 63 63 THR HG22 H 1 1.443 0.03 . 1 . . . . 63 T HG21 . 16310 1 423 . 1 1 63 63 THR HG23 H 1 1.443 0.03 . 1 . . . . 63 T HG21 . 16310 1 424 . 1 1 63 63 THR CA C 13 58.730 0.15 . 1 . . . . 63 T CA . 16310 1 425 . 1 1 63 63 THR CB C 13 69.910 0.15 . 1 . . . . 63 T CB . 16310 1 426 . 1 1 63 63 THR N N 15 119.010 0.30 . 1 . . . . 63 T N . 16310 1 427 . 1 1 64 64 LEU H H 1 9.068 0.03 . 1 . . . . 64 L HN . 16310 1 428 . 1 1 64 64 LEU CA C 13 54.321 0.15 . 1 . . . . 64 L CA . 16310 1 429 . 1 1 64 64 LEU CB C 13 39.261 0.15 . 1 . . . . 64 L CB . 16310 1 430 . 1 1 64 64 LEU N N 15 125.008 0.30 . 1 . . . . 64 L N . 16310 1 431 . 1 1 65 65 GLY H H 1 8.740 0.03 . 1 . . . . 65 G HN . 16310 1 432 . 1 1 65 65 GLY HA2 H 1 3.530 0.03 . 2 . . . . 65 G HA1 . 16310 1 433 . 1 1 65 65 GLY HA3 H 1 4.168 0.03 . 2 . . . . 65 G HA2 . 16310 1 434 . 1 1 65 65 GLY CA C 13 43.214 0.15 . 1 . . . . 65 G CA . 16310 1 435 . 1 1 65 65 GLY N N 15 108.500 0.30 . 1 . . . . 65 G N . 16310 1 436 . 1 1 66 66 LYS H H 1 7.902 0.03 . 1 . . . . 66 K HN . 16310 1 437 . 1 1 66 66 LYS HA H 1 4.794 0.03 . 1 . . . . 66 K HA . 16310 1 438 . 1 1 66 66 LYS HB2 H 1 1.941 0.03 . 1 . . . . 66 K HB1 . 16310 1 439 . 1 1 66 66 LYS HB3 H 1 1.941 0.03 . 1 . . . . 66 K HB2 . 16310 1 440 . 1 1 66 66 LYS HE2 H 1 3.066 0.03 . 1 . . . . 66 K HE1 . 16310 1 441 . 1 1 66 66 LYS HE3 H 1 3.066 0.03 . 1 . . . . 66 K HE2 . 16310 1 442 . 1 1 66 66 LYS HG2 H 1 1.425 0.03 . 1 . . . . 66 K HG1 . 16310 1 443 . 1 1 66 66 LYS HG3 H 1 1.425 0.03 . 1 . . . . 66 K HG2 . 16310 1 444 . 1 1 66 66 LYS CA C 13 51.857 0.15 . 1 . . . . 66 K CA . 16310 1 445 . 1 1 66 66 LYS CB C 13 32.464 0.15 . 1 . . . . 66 K CB . 16310 1 446 . 1 1 66 66 LYS N N 15 119.929 0.30 . 1 . . . . 66 K N . 16310 1 447 . 1 1 67 67 GLU H H 1 8.687 0.03 . 1 . . . . 67 E HN . 16310 1 448 . 1 1 67 67 GLU HA H 1 4.333 0.03 . 1 . . . . 67 E HA . 16310 1 449 . 1 1 67 67 GLU HB2 H 1 2.020 0.03 . 1 . . . . 67 E HB1 . 16310 1 450 . 1 1 67 67 GLU HB3 H 1 2.020 0.03 . 1 . . . . 67 E HB2 . 16310 1 451 . 1 1 67 67 GLU CA C 13 55.819 0.15 . 1 . . . . 67 E CA . 16310 1 452 . 1 1 67 67 GLU CB C 13 28.252 0.15 . 1 . . . . 67 E CB . 16310 1 453 . 1 1 67 67 GLU N N 15 125.100 0.30 . 1 . . . . 67 E N . 16310 1 454 . 1 1 68 68 ALA H H 1 9.173 0.03 . 1 . . . . 68 A HN . 16310 1 455 . 1 1 68 68 ALA HB1 H 1 1.540 0.03 . 1 . . . . 68 A HB1 . 16310 1 456 . 1 1 68 68 ALA HB2 H 1 1.540 0.03 . 1 . . . . 68 A HB1 . 16310 1 457 . 1 1 68 68 ALA HB3 H 1 1.540 0.03 . 1 . . . . 68 A HB1 . 16310 1 458 . 1 1 68 68 ALA CA C 13 48.623 0.15 . 1 . . . . 68 A CA . 16310 1 459 . 1 1 68 68 ALA CB C 13 20.366 0.15 . 1 . . . . 68 A CB . 16310 1 460 . 1 1 68 68 ALA N N 15 130.538 0.30 . 1 . . . . 68 A N . 16310 1 461 . 1 1 69 69 ASP H H 1 8.256 0.03 . 1 . . . . 69 D HN . 16310 1 462 . 1 1 69 69 ASP HA H 1 5.104 0.03 . 1 . . . . 69 D HA . 16310 1 463 . 1 1 69 69 ASP HB2 H 1 2.576 0.03 . 1 . . . . 69 D HB2 . 16310 1 464 . 1 1 69 69 ASP CA C 13 51.124 0.15 . 1 . . . . 69 D CA . 16310 1 465 . 1 1 69 69 ASP CB C 13 39.554 0.15 . 1 . . . . 69 D CB . 16310 1 466 . 1 1 69 69 ASP N N 15 119.675 0.30 . 1 . . . . 69 D N . 16310 1 467 . 1 1 70 70 ILE H H 1 8.986 0.03 . 1 . . . . 70 I HN . 16310 1 468 . 1 1 70 70 ILE HA H 1 4.374 0.03 . 1 . . . . 70 I HA . 16310 1 469 . 1 1 70 70 ILE HB H 1 1.702 0.03 . 1 . . . . 70 I HB . 16310 1 470 . 1 1 70 70 ILE HG21 H 1 0.593 0.03 . 1 . . . . 70 I HG21 . 16310 1 471 . 1 1 70 70 ILE HG22 H 1 0.593 0.03 . 1 . . . . 70 I HG21 . 16310 1 472 . 1 1 70 70 ILE HG23 H 1 0.593 0.03 . 1 . . . . 70 I HG21 . 16310 1 473 . 1 1 70 70 ILE CA C 13 55.935 0.15 . 1 . . . . 70 I CA . 16310 1 474 . 1 1 70 70 ILE CB C 13 37.079 0.15 . 1 . . . . 70 I CB . 16310 1 475 . 1 1 70 70 ILE N N 15 125.310 0.30 . 1 . . . . 70 I N . 16310 1 476 . 1 1 71 71 THR H H 1 9.126 0.03 . 1 . . . . 71 T HN . 16310 1 477 . 1 1 71 71 THR HA H 1 5.060 0.03 . 1 . . . . 71 T HA . 16310 1 478 . 1 1 71 71 THR HB H 1 3.919 0.03 . 1 . . . . 71 T HB . 16310 1 479 . 1 1 71 71 THR HG21 H 1 1.247 0.03 . 1 . . . . 71 T HG21 . 16310 1 480 . 1 1 71 71 THR HG22 H 1 1.247 0.03 . 1 . . . . 71 T HG21 . 16310 1 481 . 1 1 71 71 THR HG23 H 1 1.247 0.03 . 1 . . . . 71 T HG21 . 16310 1 482 . 1 1 71 71 THR CA C 13 59.513 0.15 . 1 . . . . 71 T CA . 16310 1 483 . 1 1 71 71 THR CB C 13 67.117 0.15 . 1 . . . . 71 T CB . 16310 1 484 . 1 1 71 71 THR N N 15 122.443 0.30 . 1 . . . . 71 T N . 16310 1 485 . 1 1 73 73 MET CA C 13 56.268 0.15 . 1 . . . . 73 M CA . 16310 1 486 . 1 1 73 73 MET CB C 13 30.467 0.15 . 1 . . . . 73 M CB . 16310 1 487 . 1 1 74 74 ASP H H 1 8.190 0.03 . 1 . . . . 74 D HN . 16310 1 488 . 1 1 74 74 ASP HA H 1 4.534 0.03 . 1 . . . . 74 D HA . 16310 1 489 . 1 1 74 74 ASP HB2 H 1 2.677 0.03 . 1 . . . . 74 D HB1 . 16310 1 490 . 1 1 74 74 ASP HB3 H 1 2.677 0.03 . 1 . . . . 74 D HB2 . 16310 1 491 . 1 1 74 74 ASP CA C 13 50.830 0.15 . 1 . . . . 74 D CA . 16310 1 492 . 1 1 74 74 ASP CB C 13 38.560 0.15 . 1 . . . . 74 D CB . 16310 1 493 . 1 1 74 74 ASP N N 15 114.500 0.30 . 1 . . . . 74 D N . 16310 1 494 . 1 1 75 75 GLY H H 1 8.060 0.03 . 1 . . . . 75 G HN . 16310 1 495 . 1 1 75 75 GLY HA2 H 1 3.535 0.03 . 2 . . . . 75 G HA1 . 16310 1 496 . 1 1 75 75 GLY HA3 H 1 4.171 0.03 . 2 . . . . 75 G HA2 . 16310 1 497 . 1 1 75 75 GLY CA C 13 43.149 0.15 . 1 . . . . 75 G CA . 16310 1 498 . 1 1 75 75 GLY N N 15 107.730 0.30 . 1 . . . . 75 G N . 16310 1 499 . 1 1 76 76 LYS H H 1 7.415 0.03 . 1 . . . . 76 K HN . 16310 1 500 . 1 1 76 76 LYS CA C 13 52.948 0.15 . 1 . . . . 76 K CA . 16310 1 501 . 1 1 76 76 LYS CB C 13 30.235 0.15 . 1 . . . . 76 K CB . 16310 1 502 . 1 1 76 76 LYS N N 15 121.290 0.30 . 1 . . . . 76 K N . 16310 1 503 . 1 1 78 78 LEU CA C 13 51.410 0.15 . 1 . . . . 78 L CA . 16310 1 504 . 1 1 78 78 LEU CB C 13 42.140 0.15 . 1 . . . . 78 L CB . 16310 1 505 . 1 1 79 79 LYS H H 1 8.120 0.03 . 1 . . . . 79 K HN . 16310 1 506 . 1 1 79 79 LYS CA C 13 52.240 0.15 . 1 . . . . 79 K CA . 16310 1 507 . 1 1 79 79 LYS CB C 13 32.700 0.15 . 1 . . . . 79 K CB . 16310 1 508 . 1 1 79 79 LYS N N 15 120.210 0.30 . 1 . . . . 79 K N . 16310 1 509 . 1 1 80 80 CYS H H 1 8.690 0.03 . 1 . . . . 80 C HN . 16310 1 510 . 1 1 80 80 CYS CA C 13 52.260 0.15 . 1 . . . . 80 C CA . 16310 1 511 . 1 1 80 80 CYS CB C 13 43.080 0.15 . 1 . . . . 80 C CB . 16310 1 512 . 1 1 80 80 CYS N N 15 116.835 0.30 . 1 . . . . 80 C N . 16310 1 513 . 1 1 81 81 THR H H 1 8.780 0.03 . 1 . . . . 81 T HN . 16310 1 514 . 1 1 81 81 THR CA C 13 60.329 0.15 . 1 . . . . 81 T CA . 16310 1 515 . 1 1 81 81 THR CB C 13 66.490 0.15 . 1 . . . . 81 T CB . 16310 1 516 . 1 1 81 81 THR N N 15 119.140 0.30 . 1 . . . . 81 T N . 16310 1 517 . 1 1 82 82 VAL H H 1 8.677 0.03 . 1 . . . . 82 V HN . 16310 1 518 . 1 1 82 82 VAL CA C 13 59.257 0.15 . 1 . . . . 82 V CA . 16310 1 519 . 1 1 82 82 VAL CB C 13 29.379 0.15 . 1 . . . . 82 V CB . 16310 1 520 . 1 1 82 82 VAL N N 15 131.257 0.30 . 1 . . . . 82 V N . 16310 1 521 . 1 1 83 83 HIS H H 1 8.616 0.03 . 1 . . . . 83 H HN . 16310 1 522 . 1 1 83 83 HIS HA H 1 4.995 0.03 . 1 . . . . 83 H HA . 16310 1 523 . 1 1 83 83 HIS HB2 H 1 2.956 0.03 . 1 . . . . 83 H HB1 . 16310 1 524 . 1 1 83 83 HIS HB3 H 1 2.956 0.03 . 1 . . . . 83 H HB2 . 16310 1 525 . 1 1 83 83 HIS CA C 13 52.714 0.15 . 1 . . . . 83 H CA . 16310 1 526 . 1 1 83 83 HIS CB C 13 31.120 0.15 . 1 . . . . 83 H CB . 16310 1 527 . 1 1 83 83 HIS N N 15 123.734 0.30 . 1 . . . . 83 H N . 16310 1 528 . 1 1 84 84 LEU H H 1 9.093 0.03 . 1 . . . . 84 L HN . 16310 1 529 . 1 1 84 84 LEU CA C 13 51.373 0.15 . 1 . . . . 84 L CA . 16310 1 530 . 1 1 84 84 LEU N N 15 123.973 0.30 . 1 . . . . 84 L N . 16310 1 531 . 1 1 84 84 LEU CB C 13 41.973 0.15 . 1 . . . . 84 L C . 16310 1 532 . 1 1 85 85 ALA H H 1 9.029 0.03 . 1 . . . . 85 A HN . 16310 1 533 . 1 1 85 85 ALA HA H 1 4.665 0.03 . 1 . . . . 85 A HA . 16310 1 534 . 1 1 85 85 ALA HB1 H 1 1.341 0.03 . 1 . . . . 85 A HB1 . 16310 1 535 . 1 1 85 85 ALA HB2 H 1 1.341 0.03 . 1 . . . . 85 A HB1 . 16310 1 536 . 1 1 85 85 ALA HB3 H 1 1.341 0.03 . 1 . . . . 85 A HB1 . 16310 1 537 . 1 1 85 85 ALA CA C 13 49.017 0.15 . 1 . . . . 85 A CA . 16310 1 538 . 1 1 85 85 ALA CB C 13 18.431 0.15 . 1 . . . . 85 A CB . 16310 1 539 . 1 1 85 85 ALA N N 15 128.700 0.30 . 1 . . . . 85 A N . 16310 1 540 . 1 1 86 86 ASN CA C 13 51.670 0.15 . 1 . . . . 86 N CA . 16310 1 541 . 1 1 86 86 ASN CB C 13 35.100 0.15 . 1 . . . . 86 N CB . 16310 1 542 . 1 1 87 87 GLY H H 1 8.573 0.03 . 1 . . . . 87 G HN . 16310 1 543 . 1 1 87 87 GLY HA2 H 1 3.683 0.03 . 2 . . . . 87 G HA1 . 16310 1 544 . 1 1 87 87 GLY HA3 H 1 4.276 0.03 . 2 . . . . 87 G HA2 . 16310 1 545 . 1 1 87 87 GLY CA C 13 43.230 0.15 . 1 . . . . 87 G CA . 16310 1 546 . 1 1 87 87 GLY N N 15 103.301 0.30 . 1 . . . . 87 G N . 16310 1 547 . 1 1 88 88 LYS H H 1 7.869 0.03 . 1 . . . . 88 K HN . 16310 1 548 . 1 1 88 88 LYS HA H 1 5.036 0.03 . 1 . . . . 88 K HA . 16310 1 549 . 1 1 88 88 LYS HB2 H 1 1.815 0.03 . 1 . . . . 88 K HB1 . 16310 1 550 . 1 1 88 88 LYS HB3 H 1 1.815 0.03 . 1 . . . . 88 K HB2 . 16310 1 551 . 1 1 88 88 LYS HD2 H 1 1.613 0.03 . 1 . . . . 88 K HD1 . 16310 1 552 . 1 1 88 88 LYS HD3 H 1 1.613 0.03 . 1 . . . . 88 K HD2 . 16310 1 553 . 1 1 88 88 LYS HE2 H 1 2.884 0.03 . 1 . . . . 88 K HE1 . 16310 1 554 . 1 1 88 88 LYS HE3 H 1 2.884 0.03 . 1 . . . . 88 K HE2 . 16310 1 555 . 1 1 88 88 LYS HG2 H 1 1.211 0.03 . 1 . . . . 88 K HG1 . 16310 1 556 . 1 1 88 88 LYS HG3 H 1 1.211 0.03 . 1 . . . . 88 K HG2 . 16310 1 557 . 1 1 88 88 LYS CA C 13 52.700 0.15 . 1 . . . . 88 K CA . 16310 1 558 . 1 1 88 88 LYS CB C 13 31.800 0.15 . 1 . . . . 88 K CB . 16310 1 559 . 1 1 88 88 LYS N N 15 120.319 0.30 . 1 . . . . 88 K N . 16310 1 560 . 1 1 89 89 LEU CA C 13 52.640 0.15 . 1 . . . . 89 L CA . 16310 1 561 . 1 1 89 89 LEU CB C 13 42.360 0.15 . 1 . . . . 89 L CB . 16310 1 562 . 1 1 90 90 VAL H H 1 9.210 0.03 . 1 . . . . 90 V HN . 16310 1 563 . 1 1 90 90 VAL CA C 13 52.640 0.15 . 1 . . . . 90 V CA . 16310 1 564 . 1 1 90 90 VAL CB C 13 31.890 0.15 . 1 . . . . 90 V CB . 16310 1 565 . 1 1 90 90 VAL N N 15 127.600 0.30 . 1 . . . . 90 V N . 16310 1 566 . 1 1 91 91 CYS H H 1 8.505 0.03 . 1 . . . . 91 C HN . 16310 1 567 . 1 1 91 91 CYS CA C 13 51.680 0.15 . 1 . . . . 91 C CA . 16310 1 568 . 1 1 91 91 CYS CB C 13 41.208 0.15 . 1 . . . . 91 C CB . 16310 1 569 . 1 1 91 91 CYS N N 15 125.500 0.30 . 1 . . . . 91 C N . 16310 1 570 . 1 1 92 92 LYS H H 1 8.860 0.03 . 1 . . . . 92 K HN . 16310 1 571 . 1 1 92 92 LYS CA C 13 53.090 0.15 . 1 . . . . 92 K CA . 16310 1 572 . 1 1 92 92 LYS CB C 13 33.670 0.15 . 1 . . . . 92 K CB . 16310 1 573 . 1 1 92 92 LYS N N 15 123.900 0.30 . 1 . . . . 92 K N . 16310 1 574 . 1 1 93 93 SER H H 1 9.195 0.03 . 1 . . . . 93 S HN . 16310 1 575 . 1 1 93 93 SER CA C 13 54.205 0.15 . 1 . . . . 93 S CA . 16310 1 576 . 1 1 93 93 SER CB C 13 63.800 0.15 . 1 . . . . 93 S CB . 16310 1 577 . 1 1 93 93 SER N N 15 121.269 0.30 . 1 . . . . 93 S N . 16310 1 578 . 1 1 94 94 GLU H H 1 8.990 0.03 . 1 . . . . 94 E HN . 16310 1 579 . 1 1 94 94 GLU N N 15 120.700 0.30 . 1 . . . . 94 E N . 16310 1 580 . 1 1 96 96 PHE CA C 13 54.300 0.15 . 1 . . . . 96 F CA . 16310 1 581 . 1 1 96 96 PHE CB C 13 41.600 0.15 . 1 . . . . 96 F CB . 16310 1 582 . 1 1 97 97 SER H H 1 8.120 0.03 . 1 . . . . 97 S HN . 16310 1 583 . 1 1 97 97 SER CA C 13 58.760 0.15 . 1 . . . . 97 S CA . 16310 1 584 . 1 1 97 97 SER CB C 13 63.037 0.15 . 1 . . . . 97 S CB . 16310 1 585 . 1 1 97 97 SER N N 15 119.144 0.30 . 1 . . . . 97 S N . 16310 1 586 . 1 1 98 98 HIS H H 1 8.001 0.03 . 1 . . . . 98 H HN . 16310 1 587 . 1 1 98 98 HIS CA C 13 60.600 0.15 . 1 . . . . 98 H CA . 16310 1 588 . 1 1 98 98 HIS CB C 13 29.900 0.15 . 1 . . . . 98 H CB . 16310 1 589 . 1 1 98 98 HIS N N 15 123.900 0.30 . 1 . . . . 98 H N . 16310 1 590 . 1 1 99 99 GLU H H 1 8.250 0.03 . 1 . . . . 99 E HN . 16310 1 591 . 1 1 99 99 GLU CA C 13 58.400 0.15 . 1 . . . . 99 E CA . 16310 1 592 . 1 1 99 99 GLU CB C 13 36.400 0.15 . 1 . . . . 99 E CB . 16310 1 593 . 1 1 99 99 GLU N N 15 121.800 0.30 . 1 . . . . 99 E N . 16310 1 594 . 1 1 100 100 GLN H H 1 8.400 0.03 . 1 . . . . 100 Q HN . 16310 1 595 . 1 1 100 100 GLN CA C 13 51.500 0.15 . 1 . . . . 100 Q CA . 16310 1 596 . 1 1 100 100 GLN CB C 13 30.000 0.15 . 1 . . . . 100 Q CB . 16310 1 597 . 1 1 100 100 GLN N N 15 127.600 0.30 . 1 . . . . 100 Q N . 16310 1 598 . 1 1 101 101 GLU H H 1 8.660 0.03 . 1 . . . . 101 E HN . 16310 1 599 . 1 1 101 101 GLU CA C 13 52.320 0.15 . 1 . . . . 101 E CA . 16310 1 600 . 1 1 101 101 GLU CB C 13 31.870 0.15 . 1 . . . . 101 E CB . 16310 1 601 . 1 1 101 101 GLU N N 15 123.727 0.30 . 1 . . . . 101 E N . 16310 1 602 . 1 1 102 102 VAL H H 1 8.700 0.03 . 1 . . . . 102 V HN . 16310 1 603 . 1 1 102 102 VAL HA H 1 4.347 0.03 . 1 . . . . 102 V HA . 16310 1 604 . 1 1 102 102 VAL HG11 H 1 0.425 0.03 . 1 . . . . 102 V HG11 . 16310 1 605 . 1 1 102 102 VAL HG12 H 1 0.425 0.03 . 1 . . . . 102 V HG11 . 16310 1 606 . 1 1 102 102 VAL HG13 H 1 0.425 0.03 . 1 . . . . 102 V HG11 . 16310 1 607 . 1 1 102 102 VAL HG21 H 1 0.809 0.03 . 1 . . . . 102 V HG21 . 16310 1 608 . 1 1 102 102 VAL HG22 H 1 0.809 0.03 . 1 . . . . 102 V HG21 . 16310 1 609 . 1 1 102 102 VAL HG23 H 1 0.809 0.03 . 1 . . . . 102 V HG21 . 16310 1 610 . 1 1 102 102 VAL CA C 13 59.165 0.15 . 1 . . . . 102 V CA . 16310 1 611 . 1 1 102 102 VAL CB C 13 31.344 0.15 . 1 . . . . 102 V CB . 16310 1 612 . 1 1 102 102 VAL N N 15 126.502 0.30 . 1 . . . . 102 V N . 16310 1 613 . 1 1 103 103 LYS H H 1 8.950 0.03 . 1 . . . . 103 K HN . 16310 1 614 . 1 1 103 103 LYS HA H 1 4.547 0.03 . 1 . . . . 103 K HA . 16310 1 615 . 1 1 103 103 LYS HB2 H 1 1.742 0.03 . 1 . . . . 103 K HB1 . 16310 1 616 . 1 1 103 103 LYS HB3 H 1 1.742 0.03 . 1 . . . . 103 K HB2 . 16310 1 617 . 1 1 103 103 LYS HE2 H 1 2.912 0.03 . 1 . . . . 103 K HE1 . 16310 1 618 . 1 1 103 103 LYS HE3 H 1 2.912 0.03 . 1 . . . . 103 K HE2 . 16310 1 619 . 1 1 103 103 LYS HG2 H 1 1.347 0.03 . 1 . . . . 103 K HG1 . 16310 1 620 . 1 1 103 103 LYS HG3 H 1 1.347 0.03 . 1 . . . . 103 K HG2 . 16310 1 621 . 1 1 103 103 LYS CA C 13 52.660 0.15 . 1 . . . . 103 K CA . 16310 1 622 . 1 1 103 103 LYS CB C 13 31.140 0.15 . 1 . . . . 103 K CB . 16310 1 623 . 1 1 103 103 LYS N N 15 129.257 0.30 . 1 . . . . 103 K N . 16310 1 624 . 1 1 104 104 GLY H H 1 9.113 0.03 . 1 . . . . 104 G HN . 16310 1 625 . 1 1 104 104 GLY CA C 13 45.150 0.15 . 1 . . . . 104 G CA . 16310 1 626 . 1 1 104 104 GLY N N 15 116.741 0.30 . 1 . . . . 104 G N . 16310 1 627 . 1 1 105 105 ASN H H 1 8.970 0.03 . 1 . . . . 105 N HN . 16310 1 628 . 1 1 105 105 ASN CA C 13 50.680 0.15 . 1 . . . . 105 N CA . 16310 1 629 . 1 1 105 105 ASN CB C 13 36.450 0.15 . 1 . . . . 105 N CB . 16310 1 630 . 1 1 105 105 ASN N N 15 125.500 0.30 . 1 . . . . 105 N N . 16310 1 631 . 1 1 106 106 GLU H H 1 8.095 0.03 . 1 . . . . 106 E HN . 16310 1 632 . 1 1 106 106 GLU HA H 1 5.602 0.03 . 1 . . . . 106 E HA . 16310 1 633 . 1 1 106 106 GLU HB2 H 1 2.143 0.03 . 1 . . . . 106 E HB1 . 16310 1 634 . 1 1 106 106 GLU HB3 H 1 2.143 0.03 . 1 . . . . 106 E HB2 . 16310 1 635 . 1 1 106 106 GLU HG2 H 1 2.458 0.03 . 1 . . . . 106 E HG1 . 16310 1 636 . 1 1 106 106 GLU HG3 H 1 2.458 0.03 . 1 . . . . 106 E HG2 . 16310 1 637 . 1 1 106 106 GLU CA C 13 53.180 0.15 . 1 . . . . 106 E CA . 16310 1 638 . 1 1 106 106 GLU CB C 13 30.940 0.15 . 1 . . . . 106 E CB . 16310 1 639 . 1 1 106 106 GLU N N 15 120.345 0.30 . 1 . . . . 106 E N . 16310 1 640 . 1 1 107 107 MET H H 1 8.811 0.03 . 1 . . . . 107 M HN . 16310 1 641 . 1 1 107 107 MET CA C 13 51.648 0.15 . 1 . . . . 107 M CA . 16310 1 642 . 1 1 107 107 MET CB C 13 32.730 0.15 . 1 . . . . 107 M CB . 16310 1 643 . 1 1 107 107 MET N N 15 123.770 0.30 . 1 . . . . 107 M N . 16310 1 644 . 1 1 108 108 VAL H H 1 8.951 0.03 . 1 . . . . 108 V HN . 16310 1 645 . 1 1 108 108 VAL HA H 1 4.777 0.03 . 1 . . . . 108 V HA . 16310 1 646 . 1 1 108 108 VAL HB H 1 2.143 0.03 . 1 . . . . 108 V HB . 16310 1 647 . 1 1 108 108 VAL HG11 H 1 0.879 0.03 . 1 . . . . 108 V HG11 . 16310 1 648 . 1 1 108 108 VAL HG12 H 1 0.879 0.03 . 1 . . . . 108 V HG11 . 16310 1 649 . 1 1 108 108 VAL HG13 H 1 0.879 0.03 . 1 . . . . 108 V HG11 . 16310 1 650 . 1 1 108 108 VAL HG21 H 1 0.879 0.03 . 1 . . . . 108 V HG21 . 16310 1 651 . 1 1 108 108 VAL HG22 H 1 0.879 0.03 . 1 . . . . 108 V HG21 . 16310 1 652 . 1 1 108 108 VAL HG23 H 1 0.879 0.03 . 1 . . . . 108 V HG21 . 16310 1 653 . 1 1 108 108 VAL CA C 13 59.100 0.15 . 1 . . . . 108 V CA . 16310 1 654 . 1 1 108 108 VAL CB C 13 31.872 0.15 . 1 . . . . 108 V CB . 16310 1 655 . 1 1 108 108 VAL N N 15 126.500 0.30 . 1 . . . . 108 V N . 16310 1 656 . 1 1 109 109 GLU H H 1 9.250 0.03 . 1 . . . . 109 E HN . 16310 1 657 . 1 1 109 109 GLU HA H 1 5.497 0.03 . 1 . . . . 109 E HA . 16310 1 658 . 1 1 109 109 GLU HB2 H 1 1.997 0.03 . 1 . . . . 109 E HB1 . 16310 1 659 . 1 1 109 109 GLU HB3 H 1 1.997 0.03 . 1 . . . . 109 E HB2 . 16310 1 660 . 1 1 109 109 GLU HG2 H 1 2.302 0.03 . 1 . . . . 109 E HG1 . 16310 1 661 . 1 1 109 109 GLU HG3 H 1 2.302 0.03 . 1 . . . . 109 E HG2 . 16310 1 662 . 1 1 109 109 GLU CA C 13 51.300 0.15 . 1 . . . . 109 E CA . 16310 1 663 . 1 1 109 109 GLU CB C 13 31.800 0.15 . 1 . . . . 109 E CB . 16310 1 664 . 1 1 109 109 GLU N N 15 128.700 0.30 . 1 . . . . 109 E N . 16310 1 665 . 1 1 110 110 THR H H 1 8.747 0.03 . 1 . . . . 110 T HN . 16310 1 666 . 1 1 110 110 THR HA H 1 4.805 0.03 . 1 . . . . 110 T HA . 16310 1 667 . 1 1 110 110 THR HB H 1 3.855 0.03 . 1 . . . . 110 T HB . 16310 1 668 . 1 1 110 110 THR HG21 H 1 0.956 0.03 . 1 . . . . 110 T HG21 . 16310 1 669 . 1 1 110 110 THR HG22 H 1 0.956 0.03 . 1 . . . . 110 T HG21 . 16310 1 670 . 1 1 110 110 THR HG23 H 1 0.956 0.03 . 1 . . . . 110 T HG21 . 16310 1 671 . 1 1 110 110 THR CA C 13 59.400 0.15 . 1 . . . . 110 T CA . 16310 1 672 . 1 1 110 110 THR CB C 13 66.900 0.15 . 1 . . . . 110 T CB . 16310 1 673 . 1 1 110 110 THR N N 15 120.135 0.30 . 1 . . . . 110 T N . 16310 1 674 . 1 1 111 111 ILE H H 1 9.437 0.03 . 1 . . . . 111 I HN . 16310 1 675 . 1 1 111 111 ILE HA H 1 4.982 0.03 . 1 . . . . 111 I HA . 16310 1 676 . 1 1 111 111 ILE HB H 1 1.341 0.03 . 1 . . . . 111 I HB . 16310 1 677 . 1 1 111 111 ILE HG12 H 1 0.848 0.03 . 1 . . . . 111 I HG11 . 16310 1 678 . 1 1 111 111 ILE CA C 13 58.130 0.15 . 1 . . . . 111 I CA . 16310 1 679 . 1 1 111 111 ILE CB C 13 37.470 0.15 . 1 . . . . 111 I CB . 16310 1 680 . 1 1 111 111 ILE N N 15 132.249 0.30 . 1 . . . . 111 I N . 16310 1 681 . 1 1 112 112 THR H H 1 9.287 0.03 . 1 . . . . 112 T HN . 16310 1 682 . 1 1 112 112 THR HA H 1 5.699 0.03 . 1 . . . . 112 T HA . 16310 1 683 . 1 1 112 112 THR HB H 1 3.826 0.03 . 1 . . . . 112 T HB . 16310 1 684 . 1 1 112 112 THR HG21 H 1 1.053 0.03 . 1 . . . . 112 T HG21 . 16310 1 685 . 1 1 112 112 THR HG22 H 1 1.053 0.03 . 1 . . . . 112 T HG21 . 16310 1 686 . 1 1 112 112 THR HG23 H 1 1.053 0.03 . 1 . . . . 112 T HG21 . 16310 1 687 . 1 1 112 112 THR CA C 13 58.462 0.15 . 1 . . . . 112 T CA . 16310 1 688 . 1 1 112 112 THR CB C 13 68.429 0.15 . 1 . . . . 112 T CB . 16310 1 689 . 1 1 112 112 THR N N 15 122.729 0.30 . 1 . . . . 112 T N . 16310 1 690 . 1 1 113 113 PHE H H 1 9.036 0.03 . 1 . . . . 113 F HN . 16310 1 691 . 1 1 113 113 PHE HA H 1 5.035 0.03 . 1 . . . . 113 F HA . 16310 1 692 . 1 1 113 113 PHE HB2 H 1 2.782 0.03 . 2 . . . . 113 F HB1 . 16310 1 693 . 1 1 113 113 PHE HB3 H 1 3.211 0.03 . 2 . . . . 113 F HB2 . 16310 1 694 . 1 1 113 113 PHE CA C 13 55.319 0.15 . 1 . . . . 113 F CA . 16310 1 695 . 1 1 113 113 PHE CB C 13 40.487 0.15 . 1 . . . . 113 F CB . 16310 1 696 . 1 1 113 113 PHE N N 15 125.263 0.30 . 1 . . . . 113 F N . 16310 1 697 . 1 1 114 114 GLY H H 1 8.455 0.03 . 1 . . . . 114 G HN . 16310 1 698 . 1 1 114 114 GLY HA2 H 1 3.537 0.03 . 1 . . . . 114 G HA1 . 16310 1 699 . 1 1 114 114 GLY HA3 H 1 3.537 0.03 . 1 . . . . 114 G HA2 . 16310 1 700 . 1 1 114 114 GLY CA C 13 44.442 0.15 . 1 . . . . 114 G CA . 16310 1 701 . 1 1 114 114 GLY N N 15 115.822 0.30 . 1 . . . . 114 G N . 16310 1 702 . 1 1 115 115 GLY H H 1 8.496 0.03 . 1 . . . . 115 G HN . 16310 1 703 . 1 1 115 115 GLY HA2 H 1 3.629 0.03 . 2 . . . . 115 G HA1 . 16310 1 704 . 1 1 115 115 GLY HA3 H 1 4.102 0.03 . 2 . . . . 115 G HA2 . 16310 1 705 . 1 1 115 115 GLY CA C 13 42.498 0.15 . 1 . . . . 115 G CA . 16310 1 706 . 1 1 115 115 GLY N N 15 105.497 0.30 . 1 . . . . 115 G N . 16310 1 707 . 1 1 116 116 VAL H H 1 8.021 0.03 . 1 . . . . 116 V HN . 16310 1 708 . 1 1 116 116 VAL HA H 1 4.268 0.03 . 1 . . . . 116 V HA . 16310 1 709 . 1 1 116 116 VAL HB H 1 2.315 0.03 . 1 . . . . 116 V HB . 16310 1 710 . 1 1 116 116 VAL CA C 13 59.870 0.15 . 1 . . . . 116 V CA . 16310 1 711 . 1 1 116 116 VAL CB C 13 31.024 0.15 . 1 . . . . 116 V CB . 16310 1 712 . 1 1 116 116 VAL N N 15 123.365 0.30 . 1 . . . . 116 V N . 16310 1 713 . 1 1 117 117 THR H H 1 8.719 0.03 . 1 . . . . 117 T HN . 16310 1 714 . 1 1 117 117 THR HA H 1 5.189 0.03 . 1 . . . . 117 T HA . 16310 1 715 . 1 1 117 117 THR HB H 1 3.811 0.03 . 1 . . . . 117 T HB . 16310 1 716 . 1 1 117 117 THR HG21 H 1 0.974 0.03 . 1 . . . . 117 T HG21 . 16310 1 717 . 1 1 117 117 THR HG22 H 1 0.974 0.03 . 1 . . . . 117 T HG21 . 16310 1 718 . 1 1 117 117 THR HG23 H 1 0.974 0.03 . 1 . . . . 117 T HG21 . 16310 1 719 . 1 1 117 117 THR CA C 13 59.820 0.15 . 1 . . . . 117 T CA . 16310 1 720 . 1 1 117 117 THR CB C 13 67.860 0.15 . 1 . . . . 117 T CB . 16310 1 721 . 1 1 117 117 THR N N 15 123.532 0.30 . 1 . . . . 117 T N . 16310 1 722 . 1 1 118 118 LEU H H 1 9.603 0.03 . 1 . . . . 118 L HN . 16310 1 723 . 1 1 118 118 LEU HA H 1 4.867 0.03 . 1 . . . . 118 L HA . 16310 1 724 . 1 1 118 118 LEU CA C 13 50.919 0.15 . 1 . . . . 118 L CA . 16310 1 725 . 1 1 118 118 LEU CB C 13 41.880 0.15 . 1 . . . . 118 L CB . 16310 1 726 . 1 1 118 118 LEU N N 15 132.500 0.30 . 1 . . . . 118 L N . 16310 1 727 . 1 1 119 119 ILE H H 1 7.848 0.03 . 1 . . . . 119 I HN . 16310 1 728 . 1 1 119 119 ILE HA H 1 5.159 0.03 . 1 . . . . 119 I HA . 16310 1 729 . 1 1 119 119 ILE HB H 1 1.651 0.03 . 1 . . . . 119 I HB . 16310 1 730 . 1 1 119 119 ILE HD11 H 1 0.705 0.03 . 1 . . . . 119 I HD11 . 16310 1 731 . 1 1 119 119 ILE HD12 H 1 0.705 0.03 . 1 . . . . 119 I HD11 . 16310 1 732 . 1 1 119 119 ILE HD13 H 1 0.705 0.03 . 1 . . . . 119 I HD11 . 16310 1 733 . 1 1 119 119 ILE CA C 13 56.960 0.15 . 1 . . . . 119 I CA . 16310 1 734 . 1 1 119 119 ILE CB C 13 36.850 0.15 . 1 . . . . 119 I CB . 16310 1 735 . 1 1 119 119 ILE N N 15 125.252 0.30 . 1 . . . . 119 I N . 16310 1 736 . 1 1 120 120 ARG H H 1 9.243 0.03 . 1 . . . . 120 R HN . 16310 1 737 . 1 1 120 120 ARG HA H 1 5.184 0.03 . 1 . . . . 120 R HA . 16310 1 738 . 1 1 120 120 ARG HB2 H 1 1.493 0.03 . 1 . . . . 120 R HB1 . 16310 1 739 . 1 1 120 120 ARG HB3 H 1 1.493 0.03 . 1 . . . . 120 R HB2 . 16310 1 740 . 1 1 120 120 ARG CA C 13 52.331 0.15 . 1 . . . . 120 R CA . 16310 1 741 . 1 1 120 120 ARG CB C 13 31.999 0.15 . 1 . . . . 120 R CB . 16310 1 742 . 1 1 120 120 ARG N N 15 126.765 0.30 . 1 . . . . 120 R N . 16310 1 743 . 1 1 121 121 ARG H H 1 8.934 0.03 . 1 . . . . 121 R HN . 16310 1 744 . 1 1 121 121 ARG CA C 13 52.635 0.15 . 1 . . . . 121 R CA . 16310 1 745 . 1 1 121 121 ARG CB C 13 29.642 0.15 . 1 . . . . 121 R CB . 16310 1 746 . 1 1 121 121 ARG N N 15 126.508 0.30 . 1 . . . . 121 R N . 16310 1 747 . 1 1 122 122 SER H H 1 9.327 0.03 . 1 . . . . 122 S HN . 16310 1 748 . 1 1 122 122 SER HA H 1 5.665 0.03 . 1 . . . . 122 S HA . 16310 1 749 . 1 1 122 122 SER HB2 H 1 3.748 0.03 . 1 . . . . 122 S HB1 . 16310 1 750 . 1 1 122 122 SER HB3 H 1 3.748 0.03 . 1 . . . . 122 S HB2 . 16310 1 751 . 1 1 122 122 SER CA C 13 55.520 0.15 . 1 . . . . 122 S CA . 16310 1 752 . 1 1 122 122 SER CB C 13 65.023 0.15 . 1 . . . . 122 S CB . 16310 1 753 . 1 1 122 122 SER N N 15 117.746 0.30 . 1 . . . . 122 S N . 16310 1 754 . 1 1 123 123 LYS H H 1 8.450 0.03 . 1 . . . . 123 K HN . 16310 1 755 . 1 1 123 123 LYS HA H 1 5.799 0.03 . 1 . . . . 123 K HA . 16310 1 756 . 1 1 123 123 LYS HB2 H 1 1.998 0.03 . 1 . . . . 123 K HB1 . 16310 1 757 . 1 1 123 123 LYS HB3 H 1 1.998 0.03 . 1 . . . . 123 K HB2 . 16310 1 758 . 1 1 123 123 LYS CA C 13 51.446 0.15 . 1 . . . . 123 K CA . 16310 1 759 . 1 1 123 123 LYS CB C 13 33.822 0.15 . 1 . . . . 123 K CB . 16310 1 760 . 1 1 123 123 LYS N N 15 118.800 0.30 . 1 . . . . 123 K N . 16310 1 761 . 1 1 124 124 ARG H H 1 8.301 0.03 . 1 . . . . 124 R HN . 16310 1 762 . 1 1 124 124 ARG HA H 1 3.847 0.03 . 1 . . . . 124 R HA . 16310 1 763 . 1 1 124 124 ARG HG2 H 1 1.012 0.03 . 1 . . . . 124 R HG1 . 16310 1 764 . 1 1 124 124 ARG HG3 H 1 1.012 0.03 . 1 . . . . 124 R HG2 . 16310 1 765 . 1 1 124 124 ARG CA C 13 54.650 0.15 . 1 . . . . 124 R CA . 16310 1 766 . 1 1 124 124 ARG CB C 13 27.942 0.15 . 1 . . . . 124 R CB . 16310 1 767 . 1 1 124 124 ARG N N 15 125.726 0.30 . 1 . . . . 124 R N . 16310 1 768 . 1 1 125 125 VAL H H 1 8.313 0.03 . 1 . . . . 125 V HN . 16310 1 769 . 1 1 125 125 VAL HA H 1 4.022 0.03 . 1 . . . . 125 V HA . 16310 1 770 . 1 1 125 125 VAL HG11 H 1 0.898 0.03 . 1 . . . . 125 V HG11 . 16310 1 771 . 1 1 125 125 VAL HG12 H 1 0.898 0.03 . 1 . . . . 125 V HG11 . 16310 1 772 . 1 1 125 125 VAL HG13 H 1 0.898 0.03 . 1 . . . . 125 V HG11 . 16310 1 773 . 1 1 125 125 VAL HG21 H 1 0.898 0.03 . 1 . . . . 125 V HG21 . 16310 1 774 . 1 1 125 125 VAL HG22 H 1 0.898 0.03 . 1 . . . . 125 V HG21 . 16310 1 775 . 1 1 125 125 VAL HG23 H 1 0.898 0.03 . 1 . . . . 125 V HG21 . 16310 1 776 . 1 1 125 125 VAL CA C 13 61.370 0.15 . 1 . . . . 125 V CA . 16310 1 777 . 1 1 125 125 VAL CB C 13 30.622 0.15 . 1 . . . . 125 V CB . 16310 1 778 . 1 1 125 125 VAL N N 15 129.520 0.30 . 1 . . . . 125 V N . 16310 1 stop_ save_