data_25384 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25384 _Entry.Title ; The Beclin 1 N-terminal Domain (BecN-150CSY) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-08 _Entry.Accession_date 2014-12-08 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Shenggen Yao . . . . 25384 2 Erinna Lee . F. . . 25384 3 Walter Fairlie . D. . . 25384 4 David Keizer . W. . . 25384 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The University of Melbourne' . 25384 2 . 'The Walter & Eliza Hall Institute of Medical Research' . 25384 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25384 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 25384 '15N chemical shifts' 142 25384 '1H chemical shifts' 293 25384 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 . . 2016-06-30 . original BMRB . 25384 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25384 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Characterisation of the conformational preference and dynamics of the intrinsically disordered N-terminal region of Beclin 1 by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1864 _Citation.Journal_issue 9 _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 1128 _Citation.Page_last 1137 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shenggen Yao . . . . 25384 1 2 Erinna Lee . F. . . 25384 1 3 Anne Pettikiriarachchi . . . . 25384 1 4 Marco Evangelista . . . . 25384 1 5 David Keizer . W. . . 25384 1 6 Walter Fairlie . D. . . 25384 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Autophagy 25384 1 'BH3 domain' 25384 1 'Beclin 1' 25384 1 NMR 25384 1 'intrinsically disordered protein' 25384 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25384 _Assembly.ID 1 _Assembly.Name 'BecN-150CSY monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity 1 $entity A . yes native no no . . . 25384 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25384 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BecN-150CSY _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 ; MGSSHHHHHHSQDPMEGSKT SNNSTMQVSFVSQRSSQPLK LDTSFKILDRVTIQELTAPL LTTAQAKPGETQEEETNSGE EPFIETPRQDGVSRRFIPPA RMMSTESANSFTLIGEASDG GTMENLSRRLKVTGDLFDIM SGQTDVDHPLSEESTDTLLD QLDTY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; the sequence is numbered: -14,-13,-12,...,1,2,..., 150,151 ; _Entity.Polymer_author_seq_details ; Residues (-14) - (-1) represent a non-native tag Residue 151 is non-native added to facilitate quantitation by UV spectroscopy ; _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of Beclin 1 (residues 1 to 150)' _Entity.Mutation ; C18S C21S C137S C140S ; _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 . 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 -14 MET . 25384 1 2 -13 GLY . 25384 1 3 -12 SER . 25384 1 4 -11 SER . 25384 1 5 -10 HIS . 25384 1 6 -9 HIS . 25384 1 7 -8 HIS . 25384 1 8 -7 HIS . 25384 1 9 -6 HIS . 25384 1 10 -5 HIS . 25384 1 11 -4 SER . 25384 1 12 -3 GLN . 25384 1 13 -2 ASP . 25384 1 14 -1 PRO . 25384 1 15 1 MET . 25384 1 16 2 GLU . 25384 1 17 3 GLY . 25384 1 18 4 SER . 25384 1 19 5 LYS . 25384 1 20 6 THR . 25384 1 21 7 SER . 25384 1 22 8 ASN . 25384 1 23 9 ASN . 25384 1 24 10 SER . 25384 1 25 11 THR . 25384 1 26 12 MET . 25384 1 27 13 GLN . 25384 1 28 14 VAL . 25384 1 29 15 SER . 25384 1 30 16 PHE . 25384 1 31 17 VAL . 25384 1 32 18 SER . 25384 1 33 19 GLN . 25384 1 34 20 ARG . 25384 1 35 21 SER . 25384 1 36 22 SER . 25384 1 37 23 GLN . 25384 1 38 24 PRO . 25384 1 39 25 LEU . 25384 1 40 26 LYS . 25384 1 41 27 LEU . 25384 1 42 28 ASP . 25384 1 43 29 THR . 25384 1 44 30 SER . 25384 1 45 31 PHE . 25384 1 46 32 LYS . 25384 1 47 33 ILE . 25384 1 48 34 LEU . 25384 1 49 35 ASP . 25384 1 50 36 ARG . 25384 1 51 37 VAL . 25384 1 52 38 THR . 25384 1 53 39 ILE . 25384 1 54 40 GLN . 25384 1 55 41 GLU . 25384 1 56 42 LEU . 25384 1 57 43 THR . 25384 1 58 44 ALA . 25384 1 59 45 PRO . 25384 1 60 46 LEU . 25384 1 61 47 LEU . 25384 1 62 48 THR . 25384 1 63 49 THR . 25384 1 64 50 ALA . 25384 1 65 51 GLN . 25384 1 66 52 ALA . 25384 1 67 53 LYS . 25384 1 68 54 PRO . 25384 1 69 55 GLY . 25384 1 70 56 GLU . 25384 1 71 57 THR . 25384 1 72 58 GLN . 25384 1 73 59 GLU . 25384 1 74 60 GLU . 25384 1 75 61 GLU . 25384 1 76 62 THR . 25384 1 77 63 ASN . 25384 1 78 64 SER . 25384 1 79 65 GLY . 25384 1 80 66 GLU . 25384 1 81 67 GLU . 25384 1 82 68 PRO . 25384 1 83 69 PHE . 25384 1 84 70 ILE . 25384 1 85 71 GLU . 25384 1 86 72 THR . 25384 1 87 73 PRO . 25384 1 88 74 ARG . 25384 1 89 75 GLN . 25384 1 90 76 ASP . 25384 1 91 77 GLY . 25384 1 92 78 VAL . 25384 1 93 79 SER . 25384 1 94 80 ARG . 25384 1 95 81 ARG . 25384 1 96 82 PHE . 25384 1 97 83 ILE . 25384 1 98 84 PRO . 25384 1 99 85 PRO . 25384 1 100 86 ALA . 25384 1 101 87 ARG . 25384 1 102 88 MET . 25384 1 103 89 MET . 25384 1 104 90 SER . 25384 1 105 91 THR . 25384 1 106 92 GLU . 25384 1 107 93 SER . 25384 1 108 94 ALA . 25384 1 109 95 ASN . 25384 1 110 96 SER . 25384 1 111 97 PHE . 25384 1 112 98 THR . 25384 1 113 99 LEU . 25384 1 114 100 ILE . 25384 1 115 101 GLY . 25384 1 116 102 GLU . 25384 1 117 103 ALA . 25384 1 118 104 SER . 25384 1 119 105 ASP . 25384 1 120 106 GLY . 25384 1 121 107 GLY . 25384 1 122 108 THR . 25384 1 123 109 MET . 25384 1 124 110 GLU . 25384 1 125 111 ASN . 25384 1 126 112 LEU . 25384 1 127 113 SER . 25384 1 128 114 ARG . 25384 1 129 115 ARG . 25384 1 130 116 LEU . 25384 1 131 117 LYS . 25384 1 132 118 VAL . 25384 1 133 119 THR . 25384 1 134 120 GLY . 25384 1 135 121 ASP . 25384 1 136 122 LEU . 25384 1 137 123 PHE . 25384 1 138 124 ASP . 25384 1 139 125 ILE . 25384 1 140 126 MET . 25384 1 141 127 SER . 25384 1 142 128 GLY . 25384 1 143 129 GLN . 25384 1 144 130 THR . 25384 1 145 131 ASP . 25384 1 146 132 VAL . 25384 1 147 133 ASP . 25384 1 148 134 HIS . 25384 1 149 135 PRO . 25384 1 150 136 LEU . 25384 1 151 137 SER . 25384 1 152 138 GLU . 25384 1 153 139 GLU . 25384 1 154 140 SER . 25384 1 155 141 THR . 25384 1 156 142 ASP . 25384 1 157 143 THR . 25384 1 158 144 LEU . 25384 1 159 145 LEU . 25384 1 160 146 ASP . 25384 1 161 147 GLN . 25384 1 162 148 LEU . 25384 1 163 149 ASP . 25384 1 164 150 THR . 25384 1 165 151 TYR . 25384 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 . MET 1 1 25384 1 . GLY 2 2 25384 1 . SER 3 3 25384 1 . SER 4 4 25384 1 . HIS 5 5 25384 1 . HIS 6 6 25384 1 . HIS 7 7 25384 1 . HIS 8 8 25384 1 . HIS 9 9 25384 1 . HIS 10 10 25384 1 . SER 11 11 25384 1 . GLN 12 12 25384 1 . ASP 13 13 25384 1 . PRO 14 14 25384 1 . MET 15 15 25384 1 . GLU 16 16 25384 1 . GLY 17 17 25384 1 . SER 18 18 25384 1 . LYS 19 19 25384 1 . THR 20 20 25384 1 . SER 21 21 25384 1 . ASN 22 22 25384 1 . ASN 23 23 25384 1 . SER 24 24 25384 1 . THR 25 25 25384 1 . MET 26 26 25384 1 . GLN 27 27 25384 1 . VAL 28 28 25384 1 . SER 29 29 25384 1 . PHE 30 30 25384 1 . VAL 31 31 25384 1 . SER 32 32 25384 1 . GLN 33 33 25384 1 . ARG 34 34 25384 1 . SER 35 35 25384 1 . SER 36 36 25384 1 . GLN 37 37 25384 1 . PRO 38 38 25384 1 . LEU 39 39 25384 1 . LYS 40 40 25384 1 . LEU 41 41 25384 1 . ASP 42 42 25384 1 . THR 43 43 25384 1 . SER 44 44 25384 1 . PHE 45 45 25384 1 . LYS 46 46 25384 1 . ILE 47 47 25384 1 . LEU 48 48 25384 1 . ASP 49 49 25384 1 . ARG 50 50 25384 1 . VAL 51 51 25384 1 . THR 52 52 25384 1 . ILE 53 53 25384 1 . GLN 54 54 25384 1 . GLU 55 55 25384 1 . LEU 56 56 25384 1 . THR 57 57 25384 1 . ALA 58 58 25384 1 . PRO 59 59 25384 1 . LEU 60 60 25384 1 . LEU 61 61 25384 1 . THR 62 62 25384 1 . THR 63 63 25384 1 . ALA 64 64 25384 1 . GLN 65 65 25384 1 . ALA 66 66 25384 1 . LYS 67 67 25384 1 . PRO 68 68 25384 1 . GLY 69 69 25384 1 . GLU 70 70 25384 1 . THR 71 71 25384 1 . GLN 72 72 25384 1 . GLU 73 73 25384 1 . GLU 74 74 25384 1 . GLU 75 75 25384 1 . THR 76 76 25384 1 . ASN 77 77 25384 1 . SER 78 78 25384 1 . GLY 79 79 25384 1 . GLU 80 80 25384 1 . GLU 81 81 25384 1 . PRO 82 82 25384 1 . PHE 83 83 25384 1 . ILE 84 84 25384 1 . GLU 85 85 25384 1 . THR 86 86 25384 1 . PRO 87 87 25384 1 . ARG 88 88 25384 1 . GLN 89 89 25384 1 . ASP 90 90 25384 1 . GLY 91 91 25384 1 . VAL 92 92 25384 1 . SER 93 93 25384 1 . ARG 94 94 25384 1 . ARG 95 95 25384 1 . PHE 96 96 25384 1 . ILE 97 97 25384 1 . PRO 98 98 25384 1 . PRO 99 99 25384 1 . ALA 100 100 25384 1 . ARG 101 101 25384 1 . MET 102 102 25384 1 . MET 103 103 25384 1 . SER 104 104 25384 1 . THR 105 105 25384 1 . GLU 106 106 25384 1 . SER 107 107 25384 1 . ALA 108 108 25384 1 . ASN 109 109 25384 1 . SER 110 110 25384 1 . PHE 111 111 25384 1 . THR 112 112 25384 1 . LEU 113 113 25384 1 . ILE 114 114 25384 1 . GLY 115 115 25384 1 . GLU 116 116 25384 1 . ALA 117 117 25384 1 . SER 118 118 25384 1 . ASP 119 119 25384 1 . GLY 120 120 25384 1 . GLY 121 121 25384 1 . THR 122 122 25384 1 . MET 123 123 25384 1 . GLU 124 124 25384 1 . ASN 125 125 25384 1 . LEU 126 126 25384 1 . SER 127 127 25384 1 . ARG 128 128 25384 1 . ARG 129 129 25384 1 . LEU 130 130 25384 1 . LYS 131 131 25384 1 . VAL 132 132 25384 1 . THR 133 133 25384 1 . GLY 134 134 25384 1 . ASP 135 135 25384 1 . LEU 136 136 25384 1 . PHE 137 137 25384 1 . ASP 138 138 25384 1 . ILE 139 139 25384 1 . MET 140 140 25384 1 . SER 141 141 25384 1 . GLY 142 142 25384 1 . GLN 143 143 25384 1 . THR 144 144 25384 1 . ASP 145 145 25384 1 . VAL 146 146 25384 1 . ASP 147 147 25384 1 . HIS 148 148 25384 1 . PRO 149 149 25384 1 . LEU 150 150 25384 1 . SER 151 151 25384 1 . GLU 152 152 25384 1 . GLU 153 153 25384 1 . SER 154 154 25384 1 . THR 155 155 25384 1 . ASP 156 156 25384 1 . THR 157 157 25384 1 . LEU 158 158 25384 1 . LEU 159 159 25384 1 . ASP 160 160 25384 1 . GLN 161 161 25384 1 . LEU 162 162 25384 1 . ASP 163 163 25384 1 . THR 164 164 25384 1 . TYR 165 165 25384 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 25384 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25384 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 25384 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET DUET' . . . 25384 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25384 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'containing 50 mM sodium phosphate containing 50 mM sodium chloride and 0.02 % (w/v) sodium azide at pH 6.8' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 BecN-150CSY [U-15N] . . 1 $entity . . 0.18 . . mM . . . . 25384 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25384 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25384 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25384 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Containing 50 mM sodium phosphate containing 50 mM sodium chloride and 0.02 % (w/v) sodium azide at pH 6.8' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 BecN-150CSY '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.12 . . mM . . . . 25384 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25384 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25384 2 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 25384 _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' 100 . mM 25384 1 pH 6.8 . pH 25384 1 pressure 1 . atm 25384 1 temperature 288 . K 25384 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25384 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 25384 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25384 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25384 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25384 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25384 2 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 25384 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25384 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25384 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 25384 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25384 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 25384 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na protons . . . . ppm 4.885 internal indirect 0.251449453 . . . . . 25384 1 H 1 water protons . . . . ppm 4.885 internal indirect 1 . . . . . 25384 1 N 15 na protons . . . . ppm 4.885 internal indirect 0.101329118 . . . . . 25384 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 25384 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 25384 1 2 '3D HNCA' . . . 25384 1 3 '3D HNCO' . . . 25384 1 4 '3D HNCACB' . . . 25384 1 5 '3D HN(CO)CA' . . . 25384 1 6 '3D CBCA(CO)NH' . . . 25384 1 7 '3D HN(CA)CO' . . . 25384 1 8 '3D 1H-15N NOESY' . . . 25384 1 9 '3D 1H-15N TOCSY' . . . 25384 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 15 15 MET H H 1 8.58 0.01 . 1 . . . . 1 MET H . 25384 1 2 . 1 1 15 15 MET HA H 1 4.42 0.01 . 1 . . . . 1 MET HA . 25384 1 3 . 1 1 15 15 MET C C 13 177.1 0.2 . 1 . . . . 1 MET C . 25384 1 4 . 1 1 15 15 MET CA C 13 55.9 0.2 . 1 . . . . 1 MET CA . 25384 1 5 . 1 1 15 15 MET CB C 13 32.4 0.2 . 1 . . . . 1 MET CB . 25384 1 6 . 1 1 15 15 MET N N 15 119.2 0.2 . 1 . . . . 1 MET N . 25384 1 7 . 1 1 16 16 GLU H H 1 8.25 0.01 . 1 . . . . 2 GLU H . 25384 1 8 . 1 1 16 16 GLU HA H 1 4.14 0.01 . 1 . . . . 2 GLU HA . 25384 1 9 . 1 1 16 16 GLU C C 13 176.8 0.2 . 1 . . . . 2 GLU C . 25384 1 10 . 1 1 16 16 GLU CA C 13 57.6 0.2 . 1 . . . . 2 GLU CA . 25384 1 11 . 1 1 16 16 GLU CB C 13 30.2 0.2 . 1 . . . . 2 GLU CB . 25384 1 12 . 1 1 16 16 GLU N N 15 122 0.2 . 1 . . . . 2 GLU N . 25384 1 13 . 1 1 17 17 GLY H H 1 8.51 0.01 . 1 . . . . 3 GLY H . 25384 1 14 . 1 1 17 17 GLY HA2 H 1 3.97 0.01 . 2 . . . . 3 GLY HA2 . 25384 1 15 . 1 1 17 17 GLY HA3 H 1 3.97 0.01 . 2 . . . . 3 GLY HA3 . 25384 1 16 . 1 1 17 17 GLY C C 13 174.7 0.2 . 1 . . . . 3 GLY C . 25384 1 17 . 1 1 17 17 GLY CA C 13 45.8 0.2 . 1 . . . . 3 GLY CA . 25384 1 18 . 1 1 17 17 GLY N N 15 110.3 0.2 . 1 . . . . 3 GLY N . 25384 1 19 . 1 1 18 18 SER H H 1 8.23 0.01 . 1 . . . . 4 SER H . 25384 1 20 . 1 1 18 18 SER HA H 1 4.41 0.01 . 1 . . . . 4 SER HA . 25384 1 21 . 1 1 18 18 SER C C 13 175.3 0.2 . 1 . . . . 4 SER C . 25384 1 22 . 1 1 18 18 SER CA C 13 59.1 0.2 . 1 . . . . 4 SER CA . 25384 1 23 . 1 1 18 18 SER CB C 13 64.2 0.2 . 1 . . . . 4 SER CB . 25384 1 24 . 1 1 18 18 SER N N 15 115.6 0.2 . 1 . . . . 4 SER N . 25384 1 25 . 1 1 19 19 LYS H H 1 8.45 0.01 . 1 . . . . 5 LYS H . 25384 1 26 . 1 1 19 19 LYS HA H 1 4.41 0.01 . 1 . . . . 5 LYS HA . 25384 1 27 . 1 1 19 19 LYS C C 13 177.3 0.2 . 1 . . . . 5 LYS C . 25384 1 28 . 1 1 19 19 LYS CA C 13 56.4 0.2 . 1 . . . . 5 LYS CA . 25384 1 29 . 1 1 19 19 LYS CB C 13 33.2 0.2 . 1 . . . . 5 LYS CB . 25384 1 30 . 1 1 19 19 LYS N N 15 123.6 0.2 . 1 . . . . 5 LYS N . 25384 1 31 . 1 1 20 20 THR H H 1 8.21 0.01 . 1 . . . . 6 THR H . 25384 1 32 . 1 1 20 20 THR HA H 1 4.38 0.01 . 1 . . . . 6 THR HA . 25384 1 33 . 1 1 20 20 THR C C 13 175 0.2 . 1 . . . . 6 THR C . 25384 1 34 . 1 1 20 20 THR CA C 13 62.1 0.2 . 1 . . . . 6 THR CA . 25384 1 35 . 1 1 20 20 THR CB C 13 70.1 0.2 . 1 . . . . 6 THR CB . 25384 1 36 . 1 1 20 20 THR N N 15 114.5 0.2 . 1 . . . . 6 THR N . 25384 1 37 . 1 1 21 21 SER H H 1 8.27 0.01 . 1 . . . . 7 SER H . 25384 1 38 . 1 1 21 21 SER HA H 1 4.49 0.01 . 1 . . . . 7 SER HA . 25384 1 39 . 1 1 21 21 SER C C 13 174.7 0.2 . 1 . . . . 7 SER C . 25384 1 40 . 1 1 21 21 SER CA C 13 58.7 0.2 . 1 . . . . 7 SER CA . 25384 1 41 . 1 1 21 21 SER CB C 13 64.2 0.2 . 1 . . . . 7 SER CB . 25384 1 42 . 1 1 21 21 SER N N 15 117.9 0.2 . 1 . . . . 7 SER N . 25384 1 43 . 1 1 22 22 ASN H H 1 8.55 0.01 . 1 . . . . 8 ASN H . 25384 1 44 . 1 1 22 22 ASN HA H 1 4.73 0.01 . 1 . . . . 8 ASN HA . 25384 1 45 . 1 1 22 22 ASN C C 13 175.4 0.2 . 1 . . . . 8 ASN C . 25384 1 46 . 1 1 22 22 ASN CA C 13 53.7 0.2 . 1 . . . . 8 ASN CA . 25384 1 47 . 1 1 22 22 ASN CB C 13 39.1 0.2 . 1 . . . . 8 ASN CB . 25384 1 48 . 1 1 22 22 ASN N N 15 121 0.2 . 1 . . . . 8 ASN N . 25384 1 49 . 1 1 23 23 ASN H H 1 8.46 0.01 . 1 . . . . 9 ASN H . 25384 1 50 . 1 1 23 23 ASN HA H 1 4.71 0.01 . 1 . . . . 9 ASN HA . 25384 1 51 . 1 1 23 23 ASN C C 13 175.9 0.2 . 1 . . . . 9 ASN C . 25384 1 52 . 1 1 23 23 ASN CA C 13 53.8 0.2 . 1 . . . . 9 ASN CA . 25384 1 53 . 1 1 23 23 ASN CB C 13 39 0.2 . 1 . . . . 9 ASN CB . 25384 1 54 . 1 1 23 23 ASN N N 15 119.4 0.2 . 1 . . . . 9 ASN N . 25384 1 55 . 1 1 24 24 SER H H 1 8.39 0.01 . 1 . . . . 10 SER H . 25384 1 56 . 1 1 24 24 SER HA H 1 4.45 0.01 . 1 . . . . 10 SER HA . 25384 1 57 . 1 1 24 24 SER C C 13 175.4 0.2 . 1 . . . . 10 SER C . 25384 1 58 . 1 1 24 24 SER CA C 13 59.3 0.2 . 1 . . . . 10 SER CA . 25384 1 59 . 1 1 24 24 SER CB C 13 64 0.2 . 1 . . . . 10 SER CB . 25384 1 60 . 1 1 24 24 SER N N 15 116.3 0.2 . 1 . . . . 10 SER N . 25384 1 61 . 1 1 25 25 THR H H 1 8.35 0.01 . 1 . . . . 11 THR H . 25384 1 62 . 1 1 25 25 THR HA H 1 4.33 0.01 . 1 . . . . 11 THR HA . 25384 1 63 . 1 1 25 25 THR C C 13 175 0.2 . 1 . . . . 11 THR C . 25384 1 64 . 1 1 25 25 THR CA C 13 62.7 0.2 . 1 . . . . 11 THR CA . 25384 1 65 . 1 1 25 25 THR CB C 13 70 0.2 . 1 . . . . 11 THR CB . 25384 1 66 . 1 1 25 25 THR N N 15 115.7 0.2 . 1 . . . . 11 THR N . 25384 1 67 . 1 1 26 26 MET H H 1 8.29 0.01 . 1 . . . . 12 MET H . 25384 1 68 . 1 1 26 26 MET HA H 1 4.26 0.01 . 1 . . . . 12 MET HA . 25384 1 69 . 1 1 26 26 MET C C 13 176.3 0.2 . 1 . . . . 12 MET C . 25384 1 70 . 1 1 26 26 MET CA C 13 56.3 0.2 . 1 . . . . 12 MET CA . 25384 1 71 . 1 1 26 26 MET CB C 13 32.9 0.2 . 1 . . . . 12 MET CB . 25384 1 72 . 1 1 26 26 MET N N 15 122.5 0.2 . 1 . . . . 12 MET N . 25384 1 73 . 1 1 27 27 GLN H H 1 8.4 0.01 . 1 . . . . 13 GLN H . 25384 1 74 . 1 1 27 27 GLN HA H 1 4.3 0.01 . 1 . . . . 13 GLN HA . 25384 1 75 . 1 1 27 27 GLN C C 13 176.2 0.2 . 1 . . . . 13 GLN C . 25384 1 76 . 1 1 27 27 GLN CA C 13 56.2 0.2 . 1 . . . . 13 GLN CA . 25384 1 77 . 1 1 27 27 GLN CB C 13 29.6 0.2 . 1 . . . . 13 GLN CB . 25384 1 78 . 1 1 27 27 GLN N N 15 122.3 0.2 . 1 . . . . 13 GLN N . 25384 1 79 . 1 1 28 28 VAL H H 1 8.26 0.01 . 1 . . . . 14 VAL H . 25384 1 80 . 1 1 28 28 VAL HA H 1 4.1 0.01 . 1 . . . . 14 VAL HA . 25384 1 81 . 1 1 28 28 VAL C C 13 176.4 0.2 . 1 . . . . 14 VAL C . 25384 1 82 . 1 1 28 28 VAL CA C 13 62.9 0.2 . 1 . . . . 14 VAL CA . 25384 1 83 . 1 1 28 28 VAL CB C 13 33 0.2 . 1 . . . . 14 VAL CB . 25384 1 84 . 1 1 28 28 VAL N N 15 121.5 0.2 . 1 . . . . 14 VAL N . 25384 1 85 . 1 1 29 29 SER H H 1 8.36 0.01 . 1 . . . . 15 SER H . 25384 1 86 . 1 1 29 29 SER HA H 1 4.42 0.01 . 1 . . . . 15 SER HA . 25384 1 87 . 1 1 29 29 SER C C 13 174.4 0.2 . 1 . . . . 15 SER C . 25384 1 88 . 1 1 29 29 SER CA C 13 58.5 0.2 . 1 . . . . 15 SER CA . 25384 1 89 . 1 1 29 29 SER CB C 13 64.2 0.2 . 1 . . . . 15 SER CB . 25384 1 90 . 1 1 29 29 SER N N 15 119.3 0.2 . 1 . . . . 15 SER N . 25384 1 91 . 1 1 30 30 PHE H H 1 8.36 0.01 . 1 . . . . 16 PHE H . 25384 1 92 . 1 1 30 30 PHE HA H 1 4.62 0.01 . 1 . . . . 16 PHE HA . 25384 1 93 . 1 1 30 30 PHE C C 13 176 0.2 . 1 . . . . 16 PHE C . 25384 1 94 . 1 1 30 30 PHE CA C 13 58.3 0.2 . 1 . . . . 16 PHE CA . 25384 1 95 . 1 1 30 30 PHE CB C 13 40 0.2 . 1 . . . . 16 PHE CB . 25384 1 96 . 1 1 30 30 PHE N N 15 123.2 0.2 . 1 . . . . 16 PHE N . 25384 1 97 . 1 1 31 31 VAL H H 1 8.09 0.01 . 1 . . . . 17 VAL H . 25384 1 98 . 1 1 31 31 VAL HA H 1 4.02 0.01 . 1 . . . . 17 VAL HA . 25384 1 99 . 1 1 31 31 VAL C C 13 176.3 0.2 . 1 . . . . 17 VAL C . 25384 1 100 . 1 1 31 31 VAL CA C 13 62.8 0.2 . 1 . . . . 17 VAL CA . 25384 1 101 . 1 1 31 31 VAL CB C 13 33.2 0.2 . 1 . . . . 17 VAL CB . 25384 1 102 . 1 1 31 31 VAL N N 15 122.4 0.2 . 1 . . . . 17 VAL N . 25384 1 103 . 1 1 32 32 SER H H 1 8.37 0.01 . 1 . . . . 18 SER H . 25384 1 104 . 1 1 32 32 SER HA H 1 4.36 0.01 . 1 . . . . 18 SER HA . 25384 1 105 . 1 1 32 32 SER C C 13 175 0.2 . 1 . . . . 18 SER C . 25384 1 106 . 1 1 32 32 SER CA C 13 58.9 0.2 . 1 . . . . 18 SER CA . 25384 1 107 . 1 1 32 32 SER CB C 13 64.1 0.2 . 1 . . . . 18 SER CB . 25384 1 108 . 1 1 32 32 SER N N 15 119.6 0.2 . 1 . . . . 18 SER N . 25384 1 109 . 1 1 33 33 GLN H H 1 8.48 0.01 . 1 . . . . 19 GLN H . 25384 1 110 . 1 1 33 33 GLN HA H 1 4.57 0.01 . 1 . . . . 19 GLN HA . 25384 1 111 . 1 1 33 33 GLN C C 13 176.4 0.2 . 1 . . . . 19 GLN C . 25384 1 112 . 1 1 33 33 GLN CA C 13 56.5 0.2 . 1 . . . . 19 GLN CA . 25384 1 113 . 1 1 33 33 GLN CB C 13 29.7 0.2 . 1 . . . . 19 GLN CB . 25384 1 114 . 1 1 33 33 GLN N N 15 122.6 0.2 . 1 . . . . 19 GLN N . 25384 1 115 . 1 1 34 34 ARG H H 1 8.42 0.01 . 1 . . . . 20 ARG H . 25384 1 116 . 1 1 34 34 ARG HA H 1 4.33 0.01 . 1 . . . . 20 ARG HA . 25384 1 117 . 1 1 34 34 ARG C C 13 176.9 0.2 . 1 . . . . 20 ARG C . 25384 1 118 . 1 1 34 34 ARG CA C 13 56.6 0.2 . 1 . . . . 20 ARG CA . 25384 1 119 . 1 1 34 34 ARG CB C 13 31.2 0.2 . 1 . . . . 20 ARG CB . 25384 1 120 . 1 1 34 34 ARG N N 15 122.4 0.2 . 1 . . . . 20 ARG N . 25384 1 121 . 1 1 35 35 SER H H 1 8.44 0.01 . 1 . . . . 21 SER H . 25384 1 122 . 1 1 35 35 SER HA H 1 4.53 0.01 . 1 . . . . 21 SER HA . 25384 1 123 . 1 1 35 35 SER C C 13 174.9 0.2 . 1 . . . . 21 SER C . 25384 1 124 . 1 1 35 35 SER CA C 13 58.8 0.2 . 1 . . . . 21 SER CA . 25384 1 125 . 1 1 35 35 SER CB C 13 64.2 0.2 . 1 . . . . 21 SER CB . 25384 1 126 . 1 1 35 35 SER N N 15 117 0.2 . 1 . . . . 21 SER N . 25384 1 127 . 1 1 36 36 SER H H 1 8.43 0.01 . 1 . . . . 22 SER H . 25384 1 128 . 1 1 36 36 SER HA H 1 4.42 0.01 . 1 . . . . 22 SER HA . 25384 1 129 . 1 1 36 36 SER C C 13 174.4 0.2 . 1 . . . . 22 SER C . 25384 1 130 . 1 1 36 36 SER CA C 13 58.7 0.2 . 1 . . . . 22 SER CA . 25384 1 131 . 1 1 36 36 SER CB C 13 64.1 0.2 . 1 . . . . 22 SER CB . 25384 1 132 . 1 1 36 36 SER N N 15 118 0.2 . 1 . . . . 22 SER N . 25384 1 133 . 1 1 37 37 GLN H H 1 8.33 0.01 . 1 . . . . 23 GLN H . 25384 1 134 . 1 1 37 37 GLN HA H 1 4.61 0.01 . 1 . . . . 23 GLN HA . 25384 1 135 . 1 1 37 37 GLN C C 13 174.2 0.2 . 1 . . . . 23 GLN C . 25384 1 136 . 1 1 37 37 GLN CA C 13 54.1 0.2 . 1 . . . . 23 GLN CA . 25384 1 137 . 1 1 37 37 GLN CB C 13 29.3 0.2 . 1 . . . . 23 GLN CB . 25384 1 138 . 1 1 37 37 GLN N N 15 122.9 0.2 . 1 . . . . 23 GLN N . 25384 1 139 . 1 1 38 38 PRO C C 13 177 0.2 . 1 . . . . 24 PRO C . 25384 1 140 . 1 1 38 38 PRO CA C 13 63.6 0.2 . 1 . . . . 24 PRO CA . 25384 1 141 . 1 1 38 38 PRO CB C 13 32.4 0.2 . 1 . . . . 24 PRO CB . 25384 1 142 . 1 1 39 39 LEU H H 1 8.39 0.01 . 1 . . . . 25 LEU H . 25384 1 143 . 1 1 39 39 LEU HA H 1 4.26 0.01 . 1 . . . . 25 LEU HA . 25384 1 144 . 1 1 39 39 LEU C C 13 177.5 0.2 . 1 . . . . 25 LEU C . 25384 1 145 . 1 1 39 39 LEU CA C 13 55.7 0.2 . 1 . . . . 25 LEU CA . 25384 1 146 . 1 1 39 39 LEU CB C 13 42.7 0.2 . 1 . . . . 25 LEU CB . 25384 1 147 . 1 1 39 39 LEU N N 15 122.8 0.2 . 1 . . . . 25 LEU N . 25384 1 148 . 1 1 40 40 LYS H H 1 8.36 0.01 . 1 . . . . 26 LYS H . 25384 1 149 . 1 1 40 40 LYS HA H 1 4.29 0.01 . 1 . . . . 26 LYS HA . 25384 1 150 . 1 1 40 40 LYS C C 13 176.4 0.2 . 1 . . . . 26 LYS C . 25384 1 151 . 1 1 40 40 LYS CA C 13 56.3 0.2 . 1 . . . . 26 LYS CA . 25384 1 152 . 1 1 40 40 LYS CB C 13 33.4 0.2 . 1 . . . . 26 LYS CB . 25384 1 153 . 1 1 40 40 LYS N N 15 123.1 0.2 . 1 . . . . 26 LYS N . 25384 1 154 . 1 1 41 41 LEU H H 1 8.36 0.01 . 1 . . . . 27 LEU H . 25384 1 155 . 1 1 41 41 LEU HA H 1 4.34 0.01 . 1 . . . . 27 LEU HA . 25384 1 156 . 1 1 41 41 LEU C C 13 177.2 0.2 . 1 . . . . 27 LEU C . 25384 1 157 . 1 1 41 41 LEU CA C 13 55.3 0.2 . 1 . . . . 27 LEU CA . 25384 1 158 . 1 1 41 41 LEU CB C 13 42.9 0.2 . 1 . . . . 27 LEU CB . 25384 1 159 . 1 1 41 41 LEU N N 15 124.6 0.2 . 1 . . . . 27 LEU N . 25384 1 160 . 1 1 42 42 ASP H H 1 8.48 0.01 . 1 . . . . 28 ASP H . 25384 1 161 . 1 1 42 42 ASP HA H 1 4.66 0.01 . 1 . . . . 28 ASP HA . 25384 1 162 . 1 1 42 42 ASP C C 13 177.1 0.2 . 1 . . . . 28 ASP C . 25384 1 163 . 1 1 42 42 ASP CA C 13 57 0.2 . 1 . . . . 28 ASP CA . 25384 1 164 . 1 1 42 42 ASP CB C 13 41.5 0.2 . 1 . . . . 28 ASP CB . 25384 1 165 . 1 1 42 42 ASP N N 15 122.1 0.2 . 1 . . . . 28 ASP N . 25384 1 166 . 1 1 43 43 THR H H 1 8.23 0.01 . 1 . . . . 29 THR H . 25384 1 167 . 1 1 43 43 THR HA H 1 4.3 0.01 . 1 . . . . 29 THR HA . 25384 1 168 . 1 1 43 43 THR C C 13 175.2 0.2 . 1 . . . . 29 THR C . 25384 1 169 . 1 1 43 43 THR CA C 13 62.1 0.2 . 1 . . . . 29 THR CA . 25384 1 170 . 1 1 43 43 THR CB C 13 69.7 0.2 . 1 . . . . 29 THR CB . 25384 1 171 . 1 1 43 43 THR N N 15 114.7 0.2 . 1 . . . . 29 THR N . 25384 1 172 . 1 1 44 44 SER H H 1 8.4 0.01 . 1 . . . . 30 SER H . 25384 1 173 . 1 1 44 44 SER HA H 1 4.34 0.01 . 1 . . . . 30 SER HA . 25384 1 174 . 1 1 44 44 SER C C 13 174.6 0.2 . 1 . . . . 30 SER C . 25384 1 175 . 1 1 44 44 SER CA C 13 59.4 0.2 . 1 . . . . 30 SER CA . 25384 1 176 . 1 1 44 44 SER CB C 13 64 0.2 . 1 . . . . 30 SER CB . 25384 1 177 . 1 1 44 44 SER N N 15 118.3 0.2 . 1 . . . . 30 SER N . 25384 1 178 . 1 1 45 45 PHE H H 1 8.1 0.01 . 1 . . . . 31 PHE H . 25384 1 179 . 1 1 45 45 PHE HA H 1 4.56 0.01 . 1 . . . . 31 PHE HA . 25384 1 180 . 1 1 45 45 PHE C C 13 175.6 0.2 . 1 . . . . 31 PHE C . 25384 1 181 . 1 1 45 45 PHE CA C 13 58.3 0.2 . 1 . . . . 31 PHE CA . 25384 1 182 . 1 1 45 45 PHE CB C 13 39.6 0.2 . 1 . . . . 31 PHE CB . 25384 1 183 . 1 1 45 45 PHE N N 15 121.9 0.2 . 1 . . . . 31 PHE N . 25384 1 184 . 1 1 46 46 LYS H H 1 8.1 0.01 . 1 . . . . 32 LYS H . 25384 1 185 . 1 1 46 46 LYS HA H 1 4.25 0.01 . 1 . . . . 32 LYS HA . 25384 1 186 . 1 1 46 46 LYS C C 13 176.2 0.2 . 1 . . . . 32 LYS C . 25384 1 187 . 1 1 46 46 LYS CA C 13 56.4 0.2 . 1 . . . . 32 LYS CA . 25384 1 188 . 1 1 46 46 LYS CB C 13 33.6 0.2 . 1 . . . . 32 LYS CB . 25384 1 189 . 1 1 46 46 LYS N N 15 123.6 0.2 . 1 . . . . 32 LYS N . 25384 1 190 . 1 1 47 47 ILE H H 1 8.2 0.01 . 1 . . . . 33 ILE H . 25384 1 191 . 1 1 47 47 ILE HA H 1 4.05 0.01 . 1 . . . . 33 ILE HA . 25384 1 192 . 1 1 47 47 ILE C C 13 176.6 0.2 . 1 . . . . 33 ILE C . 25384 1 193 . 1 1 47 47 ILE CA C 13 61.7 0.2 . 1 . . . . 33 ILE CA . 25384 1 194 . 1 1 47 47 ILE CB C 13 38.6 0.2 . 1 . . . . 33 ILE CB . 25384 1 195 . 1 1 47 47 ILE N N 15 122.9 0.2 . 1 . . . . 33 ILE N . 25384 1 196 . 1 1 48 48 LEU H H 1 8.36 0.01 . 1 . . . . 34 LEU H . 25384 1 197 . 1 1 48 48 LEU HA H 1 4.32 0.01 . 1 . . . . 34 LEU HA . 25384 1 198 . 1 1 48 48 LEU C C 13 177.2 0.2 . 1 . . . . 34 LEU C . 25384 1 199 . 1 1 48 48 LEU CA C 13 55.4 0.2 . 1 . . . . 34 LEU CA . 25384 1 200 . 1 1 48 48 LEU CB C 13 42.7 0.2 . 1 . . . . 34 LEU CB . 25384 1 201 . 1 1 48 48 LEU N N 15 126.6 0.2 . 1 . . . . 34 LEU N . 25384 1 202 . 1 1 49 49 ASP H H 1 8.27 0.01 . 1 . . . . 35 ASP H . 25384 1 203 . 1 1 49 49 ASP HA H 1 4.54 0.01 . 1 . . . . 35 ASP HA . 25384 1 204 . 1 1 49 49 ASP C C 13 176.3 0.2 . 1 . . . . 35 ASP C . 25384 1 205 . 1 1 49 49 ASP CA C 13 54.8 0.2 . 1 . . . . 35 ASP CA . 25384 1 206 . 1 1 49 49 ASP CB C 13 41.5 0.2 . 1 . . . . 35 ASP CB . 25384 1 207 . 1 1 49 49 ASP N N 15 121.3 0.2 . 1 . . . . 35 ASP N . 25384 1 208 . 1 1 50 50 ARG H H 1 8.24 0.01 . 1 . . . . 36 ARG H . 25384 1 209 . 1 1 50 50 ARG HA H 1 4.29 0.01 . 1 . . . . 36 ARG HA . 25384 1 210 . 1 1 50 50 ARG C C 13 176.6 0.2 . 1 . . . . 36 ARG C . 25384 1 211 . 1 1 50 50 ARG CA C 13 56.7 0.2 . 1 . . . . 36 ARG CA . 25384 1 212 . 1 1 50 50 ARG CB C 13 31 0.2 . 1 . . . . 36 ARG CB . 25384 1 213 . 1 1 50 50 ARG N N 15 120.9 0.2 . 1 . . . . 36 ARG N . 25384 1 214 . 1 1 51 51 VAL H H 1 8.27 0.01 . 1 . . . . 37 VAL H . 25384 1 215 . 1 1 51 51 VAL HA H 1 4.1 0.01 . 1 . . . . 37 VAL HA . 25384 1 216 . 1 1 51 51 VAL C C 13 176.8 0.2 . 1 . . . . 37 VAL C . 25384 1 217 . 1 1 51 51 VAL CA C 13 63.1 0.2 . 1 . . . . 37 VAL CA . 25384 1 218 . 1 1 51 51 VAL CB C 13 33 0.2 . 1 . . . . 37 VAL CB . 25384 1 219 . 1 1 51 51 VAL N N 15 121.5 0.2 . 1 . . . . 37 VAL N . 25384 1 220 . 1 1 52 52 THR H H 1 8.34 0.01 . 1 . . . . 38 THR H . 25384 1 221 . 1 1 52 52 THR HA H 1 4.53 0.01 . 1 . . . . 38 THR HA . 25384 1 222 . 1 1 52 52 THR C C 13 174.9 0.2 . 1 . . . . 38 THR C . 25384 1 223 . 1 1 52 52 THR CA C 13 62.7 0.2 . 1 . . . . 38 THR CA . 25384 1 224 . 1 1 52 52 THR CB C 13 70.1 0.2 . 1 . . . . 38 THR CB . 25384 1 225 . 1 1 52 52 THR N N 15 119.1 0.2 . 1 . . . . 38 THR N . 25384 1 226 . 1 1 53 53 ILE H H 1 8.26 0.01 . 1 . . . . 39 ILE H . 25384 1 227 . 1 1 53 53 ILE HA H 1 4.12 0.01 . 1 . . . . 39 ILE HA . 25384 1 228 . 1 1 53 53 ILE C C 13 176.7 0.2 . 1 . . . . 39 ILE C . 25384 1 229 . 1 1 53 53 ILE CA C 13 61.9 0.2 . 1 . . . . 39 ILE CA . 25384 1 230 . 1 1 53 53 ILE CB C 13 38.9 0.2 . 1 . . . . 39 ILE CB . 25384 1 231 . 1 1 53 53 ILE N N 15 123.9 0.2 . 1 . . . . 39 ILE N . 25384 1 232 . 1 1 54 54 GLN H H 1 8.47 0.01 . 1 . . . . 40 GLN H . 25384 1 233 . 1 1 54 54 GLN HA H 1 4.26 0.01 . 1 . . . . 40 GLN HA . 25384 1 234 . 1 1 54 54 GLN C C 13 176.2 0.2 . 1 . . . . 40 GLN C . 25384 1 235 . 1 1 54 54 GLN CA C 13 56.5 0.2 . 1 . . . . 40 GLN CA . 25384 1 236 . 1 1 54 54 GLN CB C 13 29.7 0.2 . 1 . . . . 40 GLN CB . 25384 1 237 . 1 1 54 54 GLN N N 15 124.6 0.2 . 1 . . . . 40 GLN N . 25384 1 238 . 1 1 55 55 GLU H H 1 8.47 0.01 . 1 . . . . 41 GLU H . 25384 1 239 . 1 1 55 55 GLU HA H 1 4.24 0.01 . 1 . . . . 41 GLU HA . 25384 1 240 . 1 1 55 55 GLU C C 13 176.9 0.2 . 1 . . . . 41 GLU C . 25384 1 241 . 1 1 55 55 GLU CA C 13 57 0.2 . 1 . . . . 41 GLU CA . 25384 1 242 . 1 1 55 55 GLU CB C 13 30.4 0.2 . 1 . . . . 41 GLU CB . 25384 1 243 . 1 1 55 55 GLU N N 15 122.7 0.2 . 1 . . . . 41 GLU N . 25384 1 244 . 1 1 56 56 LEU H H 1 8.38 0.01 . 1 . . . . 42 LEU H . 25384 1 245 . 1 1 56 56 LEU HA H 1 4.38 0.01 . 1 . . . . 42 LEU HA . 25384 1 246 . 1 1 56 56 LEU C C 13 177.9 0.2 . 1 . . . . 42 LEU C . 25384 1 247 . 1 1 56 56 LEU CA C 13 55.8 0.2 . 1 . . . . 42 LEU CA . 25384 1 248 . 1 1 56 56 LEU CB C 13 42.7 0.2 . 1 . . . . 42 LEU CB . 25384 1 249 . 1 1 56 56 LEU N N 15 123.4 0.2 . 1 . . . . 42 LEU N . 25384 1 250 . 1 1 57 57 THR H H 1 8.11 0.01 . 1 . . . . 43 THR H . 25384 1 251 . 1 1 57 57 THR HA H 1 4.28 0.01 . 1 . . . . 43 THR HA . 25384 1 252 . 1 1 57 57 THR C C 13 174.2 0.2 . 1 . . . . 43 THR C . 25384 1 253 . 1 1 57 57 THR CA C 13 62 0.2 . 1 . . . . 43 THR CA . 25384 1 254 . 1 1 57 57 THR CB C 13 70.2 0.2 . 1 . . . . 43 THR CB . 25384 1 255 . 1 1 57 57 THR N N 15 114.8 0.2 . 1 . . . . 43 THR N . 25384 1 256 . 1 1 58 58 ALA H H 1 8.27 0.01 . 1 . . . . 44 ALA H . 25384 1 257 . 1 1 58 58 ALA HA H 1 4.57 0.01 . 1 . . . . 44 ALA HA . 25384 1 258 . 1 1 58 58 ALA C C 13 175.7 0.2 . 1 . . . . 44 ALA C . 25384 1 259 . 1 1 58 58 ALA CA C 13 51.1 0.2 . 1 . . . . 44 ALA CA . 25384 1 260 . 1 1 58 58 ALA CB C 13 18.5 0.2 . 1 . . . . 44 ALA CB . 25384 1 261 . 1 1 58 58 ALA N N 15 128 0.2 . 1 . . . . 44 ALA N . 25384 1 262 . 1 1 59 59 PRO C C 13 177.1 0.2 . 1 . . . . 45 PRO C . 25384 1 263 . 1 1 59 59 PRO CA C 13 63.5 0.2 . 1 . . . . 45 PRO CA . 25384 1 264 . 1 1 59 59 PRO CB C 13 32.5 0.2 . 1 . . . . 45 PRO CB . 25384 1 265 . 1 1 60 60 LEU H H 1 8.36 0.01 . 1 . . . . 46 LEU H . 25384 1 266 . 1 1 60 60 LEU HA H 1 4.3 0.01 . 1 . . . . 46 LEU HA . 25384 1 267 . 1 1 60 60 LEU C C 13 177.8 0.2 . 1 . . . . 46 LEU C . 25384 1 268 . 1 1 60 60 LEU CA C 13 55.5 0.2 . 1 . . . . 46 LEU CA . 25384 1 269 . 1 1 60 60 LEU CB C 13 42.6 0.2 . 1 . . . . 46 LEU CB . 25384 1 270 . 1 1 60 60 LEU N N 15 122.3 0.2 . 1 . . . . 46 LEU N . 25384 1 271 . 1 1 61 61 LEU H H 1 8.35 0.01 . 1 . . . . 47 LEU H . 25384 1 272 . 1 1 61 61 LEU HA H 1 4.45 0.01 . 1 . . . . 47 LEU HA . 25384 1 273 . 1 1 61 61 LEU C C 13 177.9 0.2 . 1 . . . . 47 LEU C . 25384 1 274 . 1 1 61 61 LEU CA C 13 55.4 0.2 . 1 . . . . 47 LEU CA . 25384 1 275 . 1 1 61 61 LEU CB C 13 42.7 0.2 . 1 . . . . 47 LEU CB . 25384 1 276 . 1 1 61 61 LEU N N 15 123.6 0.2 . 1 . . . . 47 LEU N . 25384 1 277 . 1 1 62 62 THR H H 1 8.21 0.01 . 1 . . . . 48 THR H . 25384 1 278 . 1 1 62 62 THR HA H 1 4.4 0.01 . 1 . . . . 48 THR HA . 25384 1 279 . 1 1 62 62 THR C C 13 175 0.2 . 1 . . . . 48 THR C . 25384 1 280 . 1 1 62 62 THR CA C 13 62 0.2 . 1 . . . . 48 THR CA . 25384 1 281 . 1 1 62 62 THR CB C 13 70.1 0.2 . 1 . . . . 48 THR CB . 25384 1 282 . 1 1 62 62 THR N N 15 114.9 0.2 . 1 . . . . 48 THR N . 25384 1 283 . 1 1 63 63 THR H H 1 8.15 0.01 . 1 . . . . 49 THR H . 25384 1 284 . 1 1 63 63 THR HA H 1 4.29 0.01 . 1 . . . . 49 THR HA . 25384 1 285 . 1 1 63 63 THR C C 13 174.7 0.2 . 1 . . . . 49 THR C . 25384 1 286 . 1 1 63 63 THR CA C 13 62.2 0.2 . 1 . . . . 49 THR CA . 25384 1 287 . 1 1 63 63 THR CB C 13 70.1 0.2 . 1 . . . . 49 THR CB . 25384 1 288 . 1 1 63 63 THR N N 15 116.1 0.2 . 1 . . . . 49 THR N . 25384 1 289 . 1 1 64 64 ALA H H 1 8.36 0.01 . 1 . . . . 50 ALA H . 25384 1 290 . 1 1 64 64 ALA HA H 1 4.32 0.01 . 1 . . . . 50 ALA HA . 25384 1 291 . 1 1 64 64 ALA C C 13 177.9 0.2 . 1 . . . . 50 ALA C . 25384 1 292 . 1 1 64 64 ALA CA C 13 53 0.2 . 1 . . . . 50 ALA CA . 25384 1 293 . 1 1 64 64 ALA CB C 13 19.4 0.2 . 1 . . . . 50 ALA CB . 25384 1 294 . 1 1 64 64 ALA N N 15 126.5 0.2 . 1 . . . . 50 ALA N . 25384 1 295 . 1 1 65 65 GLN H H 1 8.33 0.01 . 1 . . . . 51 GLN H . 25384 1 296 . 1 1 65 65 GLN HA H 1 4.28 0.01 . 1 . . . . 51 GLN HA . 25384 1 297 . 1 1 65 65 GLN C C 13 175.9 0.2 . 1 . . . . 51 GLN C . 25384 1 298 . 1 1 65 65 GLN CA C 13 55.9 0.2 . 1 . . . . 51 GLN CA . 25384 1 299 . 1 1 65 65 GLN CB C 13 29.9 0.2 . 1 . . . . 51 GLN CB . 25384 1 300 . 1 1 65 65 GLN N N 15 119.9 0.2 . 1 . . . . 51 GLN N . 25384 1 301 . 1 1 66 66 ALA H H 1 8.38 0.01 . 1 . . . . 52 ALA H . 25384 1 302 . 1 1 66 66 ALA HA H 1 4.26 0.01 . 1 . . . . 52 ALA HA . 25384 1 303 . 1 1 66 66 ALA C C 13 177.8 0.2 . 1 . . . . 52 ALA C . 25384 1 304 . 1 1 66 66 ALA CA C 13 52.9 0.2 . 1 . . . . 52 ALA CA . 25384 1 305 . 1 1 66 66 ALA CB C 13 19.6 0.2 . 1 . . . . 52 ALA CB . 25384 1 306 . 1 1 66 66 ALA N N 15 126.1 0.2 . 1 . . . . 52 ALA N . 25384 1 307 . 1 1 67 67 LYS H H 1 8.47 0.01 . 1 . . . . 53 LYS H . 25384 1 308 . 1 1 67 67 LYS HA H 1 4.25 0.01 . 1 . . . . 53 LYS HA . 25384 1 309 . 1 1 67 67 LYS C C 13 174.9 0.2 . 1 . . . . 53 LYS C . 25384 1 310 . 1 1 67 67 LYS CA C 13 54.6 0.2 . 1 . . . . 53 LYS CA . 25384 1 311 . 1 1 67 67 LYS CB C 13 32.7 0.2 . 1 . . . . 53 LYS CB . 25384 1 312 . 1 1 67 67 LYS N N 15 122.6 0.2 . 1 . . . . 53 LYS N . 25384 1 313 . 1 1 68 68 PRO C C 13 178 0.2 . 1 . . . . 54 PRO C . 25384 1 314 . 1 1 68 68 PRO CA C 13 63.9 0.2 . 1 . . . . 54 PRO CA . 25384 1 315 . 1 1 68 68 PRO CB C 13 32.3 0.2 . 1 . . . . 54 PRO CB . 25384 1 316 . 1 1 69 69 GLY H H 1 8.63 0.01 . 1 . . . . 55 GLY H . 25384 1 317 . 1 1 69 69 GLY HA2 H 1 3.95 0.01 . 2 . . . . 55 GLY HA2 . 25384 1 318 . 1 1 69 69 GLY HA3 H 1 3.95 0.01 . 2 . . . . 55 GLY HA3 . 25384 1 319 . 1 1 69 69 GLY C C 13 174.6 0.2 . 1 . . . . 55 GLY C . 25384 1 320 . 1 1 69 69 GLY CA C 13 45.6 0.2 . 1 . . . . 55 GLY CA . 25384 1 321 . 1 1 69 69 GLY N N 15 110 0.2 . 1 . . . . 55 GLY N . 25384 1 322 . 1 1 70 70 GLU H H 1 8.21 0.01 . 1 . . . . 56 GLU H . 25384 1 323 . 1 1 70 70 GLU HA H 1 4.38 0.01 . 1 . . . . 56 GLU HA . 25384 1 324 . 1 1 70 70 GLU C C 13 177.1 0.2 . 1 . . . . 56 GLU C . 25384 1 325 . 1 1 70 70 GLU CA C 13 57 0.2 . 1 . . . . 56 GLU CA . 25384 1 326 . 1 1 70 70 GLU CB C 13 30.8 0.2 . 1 . . . . 56 GLU CB . 25384 1 327 . 1 1 70 70 GLU N N 15 120.5 0.2 . 1 . . . . 56 GLU N . 25384 1 328 . 1 1 71 71 THR H H 1 8.33 0.01 . 1 . . . . 57 THR H . 25384 1 329 . 1 1 71 71 THR HA H 1 4.42 0.01 . 1 . . . . 57 THR HA . 25384 1 330 . 1 1 71 71 THR C C 13 174.7 0.2 . 1 . . . . 57 THR C . 25384 1 331 . 1 1 71 71 THR CA C 13 62.2 0.2 . 1 . . . . 57 THR CA . 25384 1 332 . 1 1 71 71 THR CB C 13 70.1 0.2 . 1 . . . . 57 THR CB . 25384 1 333 . 1 1 71 71 THR N N 15 115.9 0.2 . 1 . . . . 57 THR N . 25384 1 334 . 1 1 72 72 GLN H H 1 8.59 0.01 . 1 . . . . 58 GLN H . 25384 1 335 . 1 1 72 72 GLN HA H 1 4.37 0.01 . 1 . . . . 58 GLN HA . 25384 1 336 . 1 1 72 72 GLN C C 13 176.1 0.2 . 1 . . . . 58 GLN C . 25384 1 337 . 1 1 72 72 GLN CA C 13 56.1 0.2 . 1 . . . . 58 GLN CA . 25384 1 338 . 1 1 72 72 GLN CB C 13 29.9 0.2 . 1 . . . . 58 GLN CB . 25384 1 339 . 1 1 72 72 GLN N N 15 123.4 0.2 . 1 . . . . 58 GLN N . 25384 1 340 . 1 1 73 73 GLU H H 1 8.59 0.01 . 1 . . . . 59 GLU H . 25384 1 341 . 1 1 73 73 GLU HA H 1 4.33 0.01 . 1 . . . . 59 GLU HA . 25384 1 342 . 1 1 73 73 GLU C C 13 176.2 0.2 . 1 . . . . 59 GLU C . 25384 1 343 . 1 1 73 73 GLU CA C 13 57 0.2 . 1 . . . . 59 GLU CA . 25384 1 344 . 1 1 73 73 GLU CB C 13 30.6 0.2 . 1 . . . . 59 GLU CB . 25384 1 345 . 1 1 73 73 GLU N N 15 123 0.2 . 1 . . . . 59 GLU N . 25384 1 346 . 1 1 74 74 GLU H H 1 8.59 0.01 . 1 . . . . 60 GLU H . 25384 1 347 . 1 1 74 74 GLU HA H 1 4.33 0.01 . 1 . . . . 60 GLU HA . 25384 1 348 . 1 1 74 74 GLU C C 13 176.8 0.2 . 1 . . . . 60 GLU C . 25384 1 349 . 1 1 74 74 GLU CA C 13 57 0.2 . 1 . . . . 60 GLU CA . 25384 1 350 . 1 1 74 74 GLU CB C 13 30.7 0.2 . 1 . . . . 60 GLU CB . 25384 1 351 . 1 1 74 74 GLU N N 15 123.1 0.2 . 1 . . . . 60 GLU N . 25384 1 352 . 1 1 75 75 GLU H H 1 8.59 0.01 . 1 . . . . 61 GLU H . 25384 1 353 . 1 1 75 75 GLU HA H 1 4.3 0.01 . 1 . . . . 61 GLU HA . 25384 1 354 . 1 1 75 75 GLU C C 13 177.1 0.2 . 1 . . . . 61 GLU C . 25384 1 355 . 1 1 75 75 GLU CA C 13 57 0.2 . 1 . . . . 61 GLU CA . 25384 1 356 . 1 1 75 75 GLU CB C 13 30.6 0.2 . 1 . . . . 61 GLU CB . 25384 1 357 . 1 1 75 75 GLU N N 15 122.9 0.2 . 1 . . . . 61 GLU N . 25384 1 358 . 1 1 76 76 THR H H 1 8.33 0.01 . 1 . . . . 62 THR H . 25384 1 359 . 1 1 76 76 THR HA H 1 4.34 0.01 . 1 . . . . 62 THR HA . 25384 1 360 . 1 1 76 76 THR C C 13 174.6 0.2 . 1 . . . . 62 THR C . 25384 1 361 . 1 1 76 76 THR CA C 13 62.3 0.2 . 1 . . . . 62 THR CA . 25384 1 362 . 1 1 76 76 THR CB C 13 70.1 0.2 . 1 . . . . 62 THR CB . 25384 1 363 . 1 1 76 76 THR N N 15 115.8 0.2 . 1 . . . . 62 THR N . 25384 1 364 . 1 1 77 77 ASN H H 1 8.64 0.01 . 1 . . . . 63 ASN H . 25384 1 365 . 1 1 77 77 ASN HA H 1 4.77 0.01 . 1 . . . . 63 ASN HA . 25384 1 366 . 1 1 77 77 ASN C C 13 175.7 0.2 . 1 . . . . 63 ASN C . 25384 1 367 . 1 1 77 77 ASN CA C 13 53.6 0.2 . 1 . . . . 63 ASN CA . 25384 1 368 . 1 1 77 77 ASN CB C 13 39.4 0.2 . 1 . . . . 63 ASN CB . 25384 1 369 . 1 1 77 77 ASN N N 15 121.9 0.2 . 1 . . . . 63 ASN N . 25384 1 370 . 1 1 78 78 SER H H 1 8.56 0.01 . 1 . . . . 64 SER H . 25384 1 371 . 1 1 78 78 SER HA H 1 4.41 0.01 . 1 . . . . 64 SER HA . 25384 1 372 . 1 1 78 78 SER C C 13 175.5 0.2 . 1 . . . . 64 SER C . 25384 1 373 . 1 1 78 78 SER CA C 13 59.2 0.2 . 1 . . . . 64 SER CA . 25384 1 374 . 1 1 78 78 SER CB C 13 64.1 0.2 . 1 . . . . 64 SER CB . 25384 1 375 . 1 1 78 78 SER N N 15 117.2 0.2 . 1 . . . . 64 SER N . 25384 1 376 . 1 1 79 79 GLY H H 1 8.54 0.01 . 1 . . . . 65 GLY H . 25384 1 377 . 1 1 79 79 GLY HA2 H 1 3.98 0.01 . 2 . . . . 65 GLY HA2 . 25384 1 378 . 1 1 79 79 GLY HA3 H 1 3.98 0.01 . 2 . . . . 65 GLY HA3 . 25384 1 379 . 1 1 79 79 GLY C C 13 174.3 0.2 . 1 . . . . 65 GLY C . 25384 1 380 . 1 1 79 79 GLY CA C 13 45.7 0.2 . 1 . . . . 65 GLY CA . 25384 1 381 . 1 1 79 79 GLY N N 15 111 0.2 . 1 . . . . 65 GLY N . 25384 1 382 . 1 1 80 80 GLU H H 1 8.23 0.01 . 1 . . . . 66 GLU H . 25384 1 383 . 1 1 80 80 GLU HA H 1 4.3 0.01 . 1 . . . . 66 GLU HA . 25384 1 384 . 1 1 80 80 GLU C C 13 176.7 0.2 . 1 . . . . 66 GLU C . 25384 1 385 . 1 1 80 80 GLU CA C 13 56.4 0.2 . 1 . . . . 66 GLU CA . 25384 1 386 . 1 1 80 80 GLU CB C 13 30.8 0.2 . 1 . . . . 66 GLU CB . 25384 1 387 . 1 1 80 80 GLU N N 15 120.3 0.2 . 1 . . . . 66 GLU N . 25384 1 388 . 1 1 81 81 GLU H H 1 8.59 0.01 . 1 . . . . 67 GLU H . 25384 1 389 . 1 1 81 81 GLU HA H 1 4.52 0.01 . 1 . . . . 67 GLU HA . 25384 1 390 . 1 1 81 81 GLU C C 13 174.9 0.2 . 1 . . . . 67 GLU C . 25384 1 391 . 1 1 81 81 GLU CA C 13 55 0.2 . 1 . . . . 67 GLU CA . 25384 1 392 . 1 1 81 81 GLU CB C 13 30.1 0.2 . 1 . . . . 67 GLU CB . 25384 1 393 . 1 1 81 81 GLU N N 15 123.8 0.2 . 1 . . . . 67 GLU N . 25384 1 394 . 1 1 82 82 PRO C C 13 176.7 0.2 . 1 . . . . 68 PRO C . 25384 1 395 . 1 1 82 82 PRO CA C 13 63.5 0.2 . 1 . . . . 68 PRO CA . 25384 1 396 . 1 1 82 82 PRO CB C 13 32.4 0.2 . 1 . . . . 68 PRO CB . 25384 1 397 . 1 1 83 83 PHE H H 1 8.38 0.01 . 1 . . . . 69 PHE H . 25384 1 398 . 1 1 83 83 PHE HA H 1 4.58 0.01 . 1 . . . . 69 PHE HA . 25384 1 399 . 1 1 83 83 PHE C C 13 175.6 0.2 . 1 . . . . 69 PHE C . 25384 1 400 . 1 1 83 83 PHE CA C 13 58.1 0.2 . 1 . . . . 69 PHE CA . 25384 1 401 . 1 1 83 83 PHE CB C 13 39.7 0.2 . 1 . . . . 69 PHE CB . 25384 1 402 . 1 1 83 83 PHE N N 15 121.1 0.2 . 1 . . . . 69 PHE N . 25384 1 403 . 1 1 84 84 ILE H H 1 7.99 0.01 . 1 . . . . 70 ILE H . 25384 1 404 . 1 1 84 84 ILE HA H 1 4.06 0.01 . 1 . . . . 70 ILE HA . 25384 1 405 . 1 1 84 84 ILE C C 13 175.6 0.2 . 1 . . . . 70 ILE C . 25384 1 406 . 1 1 84 84 ILE CA C 13 60.7 0.2 . 1 . . . . 70 ILE CA . 25384 1 407 . 1 1 84 84 ILE CB C 13 39.5 0.2 . 1 . . . . 70 ILE CB . 25384 1 408 . 1 1 84 84 ILE N N 15 124.9 0.2 . 1 . . . . 70 ILE N . 25384 1 409 . 1 1 85 85 GLU H H 1 8.42 0.01 . 1 . . . . 71 GLU H . 25384 1 410 . 1 1 85 85 GLU HA H 1 4.22 0.01 . 1 . . . . 71 GLU HA . 25384 1 411 . 1 1 85 85 GLU C C 13 176.5 0.2 . 1 . . . . 71 GLU C . 25384 1 412 . 1 1 85 85 GLU CA C 13 56.7 0.2 . 1 . . . . 71 GLU CA . 25384 1 413 . 1 1 85 85 GLU CB C 13 30.7 0.2 . 1 . . . . 71 GLU CB . 25384 1 414 . 1 1 85 85 GLU N N 15 125.7 0.2 . 1 . . . . 71 GLU N . 25384 1 415 . 1 1 86 86 THR H H 1 8.34 0.01 . 1 . . . . 72 THR H . 25384 1 416 . 1 1 86 86 THR HA H 1 4.52 0.01 . 1 . . . . 72 THR HA . 25384 1 417 . 1 1 86 86 THR C C 13 173 0.2 . 1 . . . . 72 THR C . 25384 1 418 . 1 1 86 86 THR CA C 13 62.7 0.2 . 1 . . . . 72 THR CA . 25384 1 419 . 1 1 86 86 THR CB C 13 70.1 0.2 . 1 . . . . 72 THR CB . 25384 1 420 . 1 1 86 86 THR N N 15 119.4 0.2 . 1 . . . . 72 THR N . 25384 1 421 . 1 1 87 87 PRO C C 13 177.2 0.2 . 1 . . . . 73 PRO C . 25384 1 422 . 1 1 87 87 PRO CA C 13 63.5 0.2 . 1 . . . . 73 PRO CA . 25384 1 423 . 1 1 87 87 PRO CB C 13 32.7 0.2 . 1 . . . . 73 PRO CB . 25384 1 424 . 1 1 88 88 ARG H H 1 8.57 0.01 . 1 . . . . 74 ARG H . 25384 1 425 . 1 1 88 88 ARG HA H 1 4.45 0.01 . 1 . . . . 74 ARG HA . 25384 1 426 . 1 1 88 88 ARG C C 13 177 0.2 . 1 . . . . 74 ARG C . 25384 1 427 . 1 1 88 88 ARG CA C 13 56.4 0.2 . 1 . . . . 74 ARG CA . 25384 1 428 . 1 1 88 88 ARG CB C 13 31.5 0.2 . 1 . . . . 74 ARG CB . 25384 1 429 . 1 1 88 88 ARG N N 15 122.2 0.2 . 1 . . . . 74 ARG N . 25384 1 430 . 1 1 89 89 GLN H H 1 8.64 0.01 . 1 . . . . 75 GLN H . 25384 1 431 . 1 1 89 89 GLN HA H 1 4.36 0.01 . 1 . . . . 75 GLN HA . 25384 1 432 . 1 1 89 89 GLN C C 13 175.9 0.2 . 1 . . . . 75 GLN C . 25384 1 433 . 1 1 89 89 GLN CA C 13 56.3 0.2 . 1 . . . . 75 GLN CA . 25384 1 434 . 1 1 89 89 GLN CB C 13 29.8 0.2 . 1 . . . . 75 GLN CB . 25384 1 435 . 1 1 89 89 GLN N N 15 122.2 0.2 . 1 . . . . 75 GLN N . 25384 1 436 . 1 1 90 90 ASP H H 1 8.46 0.01 . 1 . . . . 76 ASP H . 25384 1 437 . 1 1 90 90 ASP HA H 1 4.57 0.01 . 1 . . . . 76 ASP HA . 25384 1 438 . 1 1 90 90 ASP C C 13 177.1 0.2 . 1 . . . . 76 ASP C . 25384 1 439 . 1 1 90 90 ASP CA C 13 54.7 0.2 . 1 . . . . 76 ASP CA . 25384 1 440 . 1 1 90 90 ASP CB C 13 41.4 0.2 . 1 . . . . 76 ASP CB . 25384 1 441 . 1 1 90 90 ASP N N 15 121.4 0.2 . 1 . . . . 76 ASP N . 25384 1 442 . 1 1 91 91 GLY H H 1 8.41 0.01 . 1 . . . . 77 GLY H . 25384 1 443 . 1 1 91 91 GLY HA2 H 1 3.98 0.01 . 2 . . . . 77 GLY HA2 . 25384 1 444 . 1 1 91 91 GLY HA3 H 1 3.98 0.01 . 2 . . . . 77 GLY HA3 . 25384 1 445 . 1 1 91 91 GLY C C 13 174.7 0.2 . 1 . . . . 77 GLY C . 25384 1 446 . 1 1 91 91 GLY CA C 13 45.9 0.2 . 1 . . . . 77 GLY CA . 25384 1 447 . 1 1 91 91 GLY N N 15 109.1 0.2 . 1 . . . . 77 GLY N . 25384 1 448 . 1 1 92 92 VAL H H 1 8.01 0.01 . 1 . . . . 78 VAL H . 25384 1 449 . 1 1 92 92 VAL HA H 1 4.1 0.01 . 1 . . . . 78 VAL HA . 25384 1 450 . 1 1 92 92 VAL C C 13 176.8 0.2 . 1 . . . . 78 VAL C . 25384 1 451 . 1 1 92 92 VAL CA C 13 63 0.2 . 1 . . . . 78 VAL CA . 25384 1 452 . 1 1 92 92 VAL CB C 13 32.9 0.2 . 1 . . . . 78 VAL CB . 25384 1 453 . 1 1 92 92 VAL N N 15 119.7 0.2 . 1 . . . . 78 VAL N . 25384 1 454 . 1 1 93 93 SER H H 1 8.52 0.01 . 1 . . . . 79 SER H . 25384 1 455 . 1 1 93 93 SER HA H 1 4.42 0.01 . 1 . . . . 79 SER HA . 25384 1 456 . 1 1 93 93 SER C C 13 174.9 0.2 . 1 . . . . 79 SER C . 25384 1 457 . 1 1 93 93 SER CA C 13 59 0.2 . 1 . . . . 79 SER CA . 25384 1 458 . 1 1 93 93 SER CB C 13 64 0.2 . 1 . . . . 79 SER CB . 25384 1 459 . 1 1 93 93 SER N N 15 119.7 0.2 . 1 . . . . 79 SER N . 25384 1 460 . 1 1 94 94 ARG H H 1 8.45 0.01 . 1 . . . . 80 ARG H . 25384 1 461 . 1 1 94 94 ARG HA H 1 4.41 0.01 . 1 . . . . 80 ARG HA . 25384 1 462 . 1 1 94 94 ARG C C 13 176.3 0.2 . 1 . . . . 80 ARG C . 25384 1 463 . 1 1 94 94 ARG CA C 13 56.8 0.2 . 1 . . . . 80 ARG CA . 25384 1 464 . 1 1 94 94 ARG CB C 13 33.3 0.2 . 1 . . . . 80 ARG CB . 25384 1 465 . 1 1 94 94 ARG N N 15 123.3 0.2 . 1 . . . . 80 ARG N . 25384 1 466 . 1 1 95 95 ARG H H 1 8.15 0.01 . 1 . . . . 81 ARG H . 25384 1 467 . 1 1 95 95 ARG HA H 1 4.33 0.01 . 1 . . . . 81 ARG HA . 25384 1 468 . 1 1 95 95 ARG C C 13 176.2 0.2 . 1 . . . . 81 ARG C . 25384 1 469 . 1 1 95 95 ARG CA C 13 56.2 0.2 . 1 . . . . 81 ARG CA . 25384 1 470 . 1 1 95 95 ARG CB C 13 31.1 0.2 . 1 . . . . 81 ARG CB . 25384 1 471 . 1 1 95 95 ARG N N 15 122.3 0.2 . 1 . . . . 81 ARG N . 25384 1 472 . 1 1 96 96 PHE H H 1 8.43 0.01 . 1 . . . . 82 PHE H . 25384 1 473 . 1 1 96 96 PHE HA H 1 4.62 0.01 . 1 . . . . 82 PHE HA . 25384 1 474 . 1 1 96 96 PHE C C 13 175 0.2 . 1 . . . . 82 PHE C . 25384 1 475 . 1 1 96 96 PHE CA C 13 58 0.2 . 1 . . . . 82 PHE CA . 25384 1 476 . 1 1 96 96 PHE CB C 13 39.9 0.2 . 1 . . . . 82 PHE CB . 25384 1 477 . 1 1 96 96 PHE N N 15 122.6 0.2 . 1 . . . . 82 PHE N . 25384 1 478 . 1 1 97 97 ILE H H 1 8.06 0.01 . 1 . . . . 83 ILE H . 25384 1 479 . 1 1 97 97 ILE HA H 1 4.33 0.01 . 1 . . . . 83 ILE HA . 25384 1 480 . 1 1 97 97 ILE C C 13 173.6 0.2 . 1 . . . . 83 ILE C . 25384 1 481 . 1 1 97 97 ILE CA C 13 58 0.2 . 1 . . . . 83 ILE CA . 25384 1 482 . 1 1 97 97 ILE CB C 13 39.2 0.2 . 1 . . . . 83 ILE CB . 25384 1 483 . 1 1 97 97 ILE N N 15 127.3 0.2 . 1 . . . . 83 ILE N . 25384 1 484 . 1 1 99 99 PRO C C 13 177.1 0.2 . 1 . . . . 85 PRO C . 25384 1 485 . 1 1 99 99 PRO CA C 13 63.4 0.2 . 1 . . . . 85 PRO CA . 25384 1 486 . 1 1 99 99 PRO CB C 13 32.5 0.2 . 1 . . . . 85 PRO CB . 25384 1 487 . 1 1 100 100 ALA H H 1 8.41 0.01 . 1 . . . . 86 ALA H . 25384 1 488 . 1 1 100 100 ALA HA H 1 4.24 0.01 . 1 . . . . 86 ALA HA . 25384 1 489 . 1 1 100 100 ALA C C 13 178.2 0.2 . 1 . . . . 86 ALA C . 25384 1 490 . 1 1 100 100 ALA CA C 13 53 0.2 . 1 . . . . 86 ALA CA . 25384 1 491 . 1 1 100 100 ALA CB C 13 19.5 0.2 . 1 . . . . 86 ALA CB . 25384 1 492 . 1 1 100 100 ALA N N 15 124.2 0.2 . 1 . . . . 86 ALA N . 25384 1 493 . 1 1 101 101 ARG H H 1 8.34 0.01 . 1 . . . . 87 ARG H . 25384 1 494 . 1 1 101 101 ARG HA H 1 4.28 0.01 . 1 . . . . 87 ARG HA . 25384 1 495 . 1 1 101 101 ARG C C 13 176.5 0.2 . 1 . . . . 87 ARG C . 25384 1 496 . 1 1 101 101 ARG CA C 13 56.3 0.2 . 1 . . . . 87 ARG CA . 25384 1 497 . 1 1 101 101 ARG CB C 13 31.1 0.2 . 1 . . . . 87 ARG CB . 25384 1 498 . 1 1 101 101 ARG N N 15 119.8 0.2 . 1 . . . . 87 ARG N . 25384 1 499 . 1 1 102 102 MET H H 1 8.43 0.01 . 1 . . . . 88 MET H . 25384 1 500 . 1 1 102 102 MET HA H 1 4.48 0.01 . 1 . . . . 88 MET HA . 25384 1 501 . 1 1 102 102 MET C C 13 176.4 0.2 . 1 . . . . 88 MET C . 25384 1 502 . 1 1 102 102 MET CA C 13 56 0.2 . 1 . . . . 88 MET CA . 25384 1 503 . 1 1 102 102 MET CB C 13 33.1 0.2 . 1 . . . . 88 MET CB . 25384 1 504 . 1 1 102 102 MET N N 15 122 0.2 . 1 . . . . 88 MET N . 25384 1 505 . 1 1 103 103 MET H H 1 8.5 0.01 . 1 . . . . 89 MET H . 25384 1 506 . 1 1 103 103 MET HA H 1 4.52 0.01 . 1 . . . . 89 MET HA . 25384 1 507 . 1 1 103 103 MET C C 13 176.5 0.2 . 1 . . . . 89 MET C . 25384 1 508 . 1 1 103 103 MET CA C 13 55.8 0.2 . 1 . . . . 89 MET CA . 25384 1 509 . 1 1 103 103 MET CB C 13 33.3 0.2 . 1 . . . . 89 MET CB . 25384 1 510 . 1 1 103 103 MET N N 15 122.1 0.2 . 1 . . . . 89 MET N . 25384 1 511 . 1 1 104 104 SER H H 1 8.46 0.01 . 1 . . . . 90 SER H . 25384 1 512 . 1 1 104 104 SER HA H 1 4.53 0.01 . 1 . . . . 90 SER HA . 25384 1 513 . 1 1 104 104 SER C C 13 175.3 0.2 . 1 . . . . 90 SER C . 25384 1 514 . 1 1 104 104 SER CA C 13 58.7 0.2 . 1 . . . . 90 SER CA . 25384 1 515 . 1 1 104 104 SER CB C 13 64.2 0.2 . 1 . . . . 90 SER CB . 25384 1 516 . 1 1 104 104 SER N N 15 117.2 0.2 . 1 . . . . 90 SER N . 25384 1 517 . 1 1 105 105 THR H H 1 8.33 0.01 . 1 . . . . 91 THR H . 25384 1 518 . 1 1 105 105 THR HA H 1 4.34 0.01 . 1 . . . . 91 THR HA . 25384 1 519 . 1 1 105 105 THR C C 13 175.3 0.2 . 1 . . . . 91 THR C . 25384 1 520 . 1 1 105 105 THR CA C 13 62.4 0.2 . 1 . . . . 91 THR CA . 25384 1 521 . 1 1 105 105 THR CB C 13 70.2 0.2 . 1 . . . . 91 THR CB . 25384 1 522 . 1 1 105 105 THR N N 15 115.8 0.2 . 1 . . . . 91 THR N . 25384 1 523 . 1 1 106 106 GLU H H 1 8.46 0.01 . 1 . . . . 92 GLU H . 25384 1 524 . 1 1 106 106 GLU HA H 1 4.32 0.01 . 1 . . . . 92 GLU HA . 25384 1 525 . 1 1 106 106 GLU C C 13 177.1 0.2 . 1 . . . . 92 GLU C . 25384 1 526 . 1 1 106 106 GLU CA C 13 57.4 0.2 . 1 . . . . 92 GLU CA . 25384 1 527 . 1 1 106 106 GLU CB C 13 30.4 0.2 . 1 . . . . 92 GLU CB . 25384 1 528 . 1 1 106 106 GLU N N 15 122.8 0.2 . 1 . . . . 92 GLU N . 25384 1 529 . 1 1 107 107 SER H H 1 8.35 0.01 . 1 . . . . 93 SER H . 25384 1 530 . 1 1 107 107 SER HA H 1 4.41 0.01 . 1 . . . . 93 SER HA . 25384 1 531 . 1 1 107 107 SER C C 13 174.9 0.2 . 1 . . . . 93 SER C . 25384 1 532 . 1 1 107 107 SER CA C 13 59 0.2 . 1 . . . . 93 SER CA . 25384 1 533 . 1 1 107 107 SER CB C 13 64.2 0.2 . 1 . . . . 93 SER CB . 25384 1 534 . 1 1 107 107 SER N N 15 116.7 0.2 . 1 . . . . 93 SER N . 25384 1 535 . 1 1 108 108 ALA H H 1 8.39 0.01 . 1 . . . . 94 ALA H . 25384 1 536 . 1 1 108 108 ALA HA H 1 4.26 0.01 . 1 . . . . 94 ALA HA . 25384 1 537 . 1 1 108 108 ALA C C 13 178 0.2 . 1 . . . . 94 ALA C . 25384 1 538 . 1 1 108 108 ALA CA C 13 53.3 0.2 . 1 . . . . 94 ALA CA . 25384 1 539 . 1 1 108 108 ALA CB C 13 19.3 0.2 . 1 . . . . 94 ALA CB . 25384 1 540 . 1 1 108 108 ALA N N 15 125.8 0.2 . 1 . . . . 94 ALA N . 25384 1 541 . 1 1 109 109 ASN H H 1 8.35 0.01 . 1 . . . . 95 ASN H . 25384 1 542 . 1 1 109 109 ASN HA H 1 4.66 0.01 . 1 . . . . 95 ASN HA . 25384 1 543 . 1 1 109 109 ASN C C 13 175.6 0.2 . 1 . . . . 95 ASN C . 25384 1 544 . 1 1 109 109 ASN CA C 13 53.6 0.2 . 1 . . . . 95 ASN CA . 25384 1 545 . 1 1 109 109 ASN CB C 13 39.2 0.2 . 1 . . . . 95 ASN CB . 25384 1 546 . 1 1 109 109 ASN N N 15 117.2 0.2 . 1 . . . . 95 ASN N . 25384 1 547 . 1 1 110 110 SER H H 1 8.16 0.01 . 1 . . . . 96 SER H . 25384 1 548 . 1 1 110 110 SER HA H 1 4.34 0.01 . 1 . . . . 96 SER HA . 25384 1 549 . 1 1 110 110 SER C C 13 174.6 0.2 . 1 . . . . 96 SER C . 25384 1 550 . 1 1 110 110 SER CA C 13 59.1 0.2 . 1 . . . . 96 SER CA . 25384 1 551 . 1 1 110 110 SER CB C 13 63.9 0.2 . 1 . . . . 96 SER CB . 25384 1 552 . 1 1 110 110 SER N N 15 115.9 0.2 . 1 . . . . 96 SER N . 25384 1 553 . 1 1 111 111 PHE H H 1 8.24 0.01 . 1 . . . . 97 PHE H . 25384 1 554 . 1 1 111 111 PHE HA H 1 4.65 0.01 . 1 . . . . 97 PHE HA . 25384 1 555 . 1 1 111 111 PHE C C 13 176.1 0.2 . 1 . . . . 97 PHE C . 25384 1 556 . 1 1 111 111 PHE CA C 13 58.3 0.2 . 1 . . . . 97 PHE CA . 25384 1 557 . 1 1 111 111 PHE CB C 13 39.8 0.2 . 1 . . . . 97 PHE CB . 25384 1 558 . 1 1 111 111 PHE N N 15 121.8 0.2 . 1 . . . . 97 PHE N . 25384 1 559 . 1 1 112 112 THR H H 1 8.08 0.01 . 1 . . . . 98 THR H . 25384 1 560 . 1 1 112 112 THR HA H 1 4.25 0.01 . 1 . . . . 98 THR HA . 25384 1 561 . 1 1 112 112 THR C C 13 174.3 0.2 . 1 . . . . 98 THR C . 25384 1 562 . 1 1 112 112 THR CA C 13 62.3 0.2 . 1 . . . . 98 THR CA . 25384 1 563 . 1 1 112 112 THR CB C 13 70.5 0.2 . 1 . . . . 98 THR CB . 25384 1 564 . 1 1 112 112 THR N N 15 116.3 0.2 . 1 . . . . 98 THR N . 25384 1 565 . 1 1 113 113 LEU H H 1 8.29 0.01 . 1 . . . . 99 LEU H . 25384 1 566 . 1 1 113 113 LEU HA H 1 4.34 0.01 . 1 . . . . 99 LEU HA . 25384 1 567 . 1 1 113 113 LEU C C 13 177.4 0.2 . 1 . . . . 99 LEU C . 25384 1 568 . 1 1 113 113 LEU CA C 13 55.6 0.2 . 1 . . . . 99 LEU CA . 25384 1 569 . 1 1 113 113 LEU CB C 13 42.6 0.2 . 1 . . . . 99 LEU CB . 25384 1 570 . 1 1 113 113 LEU N N 15 125.1 0.2 . 1 . . . . 99 LEU N . 25384 1 571 . 1 1 114 114 ILE H H 1 8.19 0.01 . 1 . . . . 100 ILE H . 25384 1 572 . 1 1 114 114 ILE HA H 1 4.16 0.01 . 1 . . . . 100 ILE HA . 25384 1 573 . 1 1 114 114 ILE C C 13 177 0.2 . 1 . . . . 100 ILE C . 25384 1 574 . 1 1 114 114 ILE CA C 13 61.7 0.2 . 1 . . . . 100 ILE CA . 25384 1 575 . 1 1 114 114 ILE CB C 13 39 0.2 . 1 . . . . 100 ILE CB . 25384 1 576 . 1 1 114 114 ILE N N 15 122.2 0.2 . 1 . . . . 100 ILE N . 25384 1 577 . 1 1 115 115 GLY H H 1 8.46 0.01 . 1 . . . . 101 GLY H . 25384 1 578 . 1 1 115 115 GLY HA2 H 1 3.93 0.01 . 2 . . . . 101 GLY HA2 . 25384 1 579 . 1 1 115 115 GLY HA3 H 1 3.93 0.01 . 2 . . . . 101 GLY HA3 . 25384 1 580 . 1 1 115 115 GLY C C 13 174.3 0.2 . 1 . . . . 101 GLY C . 25384 1 581 . 1 1 115 115 GLY CA C 13 45.5 0.2 . 1 . . . . 101 GLY CA . 25384 1 582 . 1 1 115 115 GLY N N 15 112.9 0.2 . 1 . . . . 101 GLY N . 25384 1 583 . 1 1 116 116 GLU H H 1 8.3 0.01 . 1 . . . . 102 GLU H . 25384 1 584 . 1 1 116 116 GLU HA H 1 4.28 0.01 . 1 . . . . 102 GLU HA . 25384 1 585 . 1 1 116 116 GLU C C 13 176.7 0.2 . 1 . . . . 102 GLU C . 25384 1 586 . 1 1 116 116 GLU CA C 13 56.7 0.2 . 1 . . . . 102 GLU CA . 25384 1 587 . 1 1 116 116 GLU CB C 13 30.8 0.2 . 1 . . . . 102 GLU CB . 25384 1 588 . 1 1 116 116 GLU N N 15 120.7 0.2 . 1 . . . . 102 GLU N . 25384 1 589 . 1 1 117 117 ALA H H 1 8.5 0.01 . 1 . . . . 103 ALA H . 25384 1 590 . 1 1 117 117 ALA HA H 1 4.34 0.01 . 1 . . . . 103 ALA HA . 25384 1 591 . 1 1 117 117 ALA C C 13 178.3 0.2 . 1 . . . . 103 ALA C . 25384 1 592 . 1 1 117 117 ALA CA C 13 52.9 0.2 . 1 . . . . 103 ALA CA . 25384 1 593 . 1 1 117 117 ALA CB C 13 19.5 0.2 . 1 . . . . 103 ALA CB . 25384 1 594 . 1 1 117 117 ALA N N 15 125.3 0.2 . 1 . . . . 103 ALA N . 25384 1 595 . 1 1 118 118 SER H H 1 8.41 0.01 . 1 . . . . 104 SER H . 25384 1 596 . 1 1 118 118 SER HA H 1 4.42 0.01 . 1 . . . . 104 SER HA . 25384 1 597 . 1 1 118 118 SER C C 13 174.8 0.2 . 1 . . . . 104 SER C . 25384 1 598 . 1 1 118 118 SER CA C 13 58.8 0.2 . 1 . . . . 104 SER CA . 25384 1 599 . 1 1 118 118 SER CB C 13 64.2 0.2 . 1 . . . . 104 SER CB . 25384 1 600 . 1 1 118 118 SER N N 15 115.4 0.2 . 1 . . . . 104 SER N . 25384 1 601 . 1 1 119 119 ASP H H 1 8.39 0.01 . 1 . . . . 105 ASP H . 25384 1 602 . 1 1 119 119 ASP HA H 1 4.62 0.01 . 1 . . . . 105 ASP HA . 25384 1 603 . 1 1 119 119 ASP C C 13 177.2 0.2 . 1 . . . . 105 ASP C . 25384 1 604 . 1 1 119 119 ASP CA C 13 54.7 0.2 . 1 . . . . 105 ASP CA . 25384 1 605 . 1 1 119 119 ASP CB C 13 41.4 0.2 . 1 . . . . 105 ASP CB . 25384 1 606 . 1 1 119 119 ASP N N 15 122.3 0.2 . 1 . . . . 105 ASP N . 25384 1 607 . 1 1 120 120 GLY H H 1 8.45 0.01 . 1 . . . . 106 GLY H . 25384 1 608 . 1 1 120 120 GLY HA2 H 1 3.96 0.01 . 2 . . . . 106 GLY HA2 . 25384 1 609 . 1 1 120 120 GLY HA3 H 1 3.96 0.01 . 2 . . . . 106 GLY HA3 . 25384 1 610 . 1 1 120 120 GLY C C 13 175.4 0.2 . 1 . . . . 106 GLY C . 25384 1 611 . 1 1 120 120 GLY CA C 13 46.1 0.2 . 1 . . . . 106 GLY CA . 25384 1 612 . 1 1 120 120 GLY N N 15 109.4 0.2 . 1 . . . . 106 GLY N . 25384 1 613 . 1 1 121 121 GLY H H 1 8.4 0.01 . 1 . . . . 107 GLY H . 25384 1 614 . 1 1 121 121 GLY HA2 H 1 3.98 0.01 . 2 . . . . 107 GLY HA2 . 25384 1 615 . 1 1 121 121 GLY HA3 H 1 3.98 0.01 . 2 . . . . 107 GLY HA3 . 25384 1 616 . 1 1 121 121 GLY C C 13 174.9 0.2 . 1 . . . . 107 GLY C . 25384 1 617 . 1 1 121 121 GLY CA C 13 45.8 0.2 . 1 . . . . 107 GLY CA . 25384 1 618 . 1 1 121 121 GLY N N 15 109 0.2 . 1 . . . . 107 GLY N . 25384 1 619 . 1 1 122 122 THR H H 1 8.15 0.01 . 1 . . . . 108 THR H . 25384 1 620 . 1 1 122 122 THR HA H 1 4.33 0.01 . 1 . . . . 108 THR HA . 25384 1 621 . 1 1 122 122 THR C C 13 175.4 0.2 . 1 . . . . 108 THR C . 25384 1 622 . 1 1 122 122 THR CA C 13 62.7 0.2 . 1 . . . . 108 THR CA . 25384 1 623 . 1 1 122 122 THR CB C 13 70.1 0.2 . 1 . . . . 108 THR CB . 25384 1 624 . 1 1 122 122 THR N N 15 113.8 0.2 . 1 . . . . 108 THR N . 25384 1 625 . 1 1 123 123 MET H H 1 8.57 0.01 . 1 . . . . 109 MET H . 25384 1 626 . 1 1 123 123 MET HA H 1 4.28 0.01 . 1 . . . . 109 MET HA . 25384 1 627 . 1 1 123 123 MET C C 13 177.2 0.2 . 1 . . . . 109 MET C . 25384 1 628 . 1 1 123 123 MET CA C 13 56.4 0.2 . 1 . . . . 109 MET CA . 25384 1 629 . 1 1 123 123 MET CB C 13 32.6 0.2 . 1 . . . . 109 MET CB . 25384 1 630 . 1 1 123 123 MET N N 15 122.2 0.2 . 1 . . . . 109 MET N . 25384 1 631 . 1 1 124 124 GLU H H 1 8.49 0.01 . 1 . . . . 110 GLU H . 25384 1 632 . 1 1 124 124 GLU HA H 1 4.18 0.01 . 1 . . . . 110 GLU HA . 25384 1 633 . 1 1 124 124 GLU C C 13 176.9 0.2 . 1 . . . . 110 GLU C . 25384 1 634 . 1 1 124 124 GLU CA C 13 57.7 0.2 . 1 . . . . 110 GLU CA . 25384 1 635 . 1 1 124 124 GLU CB C 13 30.3 0.2 . 1 . . . . 110 GLU CB . 25384 1 636 . 1 1 124 124 GLU N N 15 121.9 0.2 . 1 . . . . 110 GLU N . 25384 1 637 . 1 1 125 125 ASN H H 1 8.44 0.01 . 1 . . . . 111 ASN H . 25384 1 638 . 1 1 125 125 ASN HA H 1 4.61 0.01 . 1 . . . . 111 ASN HA . 25384 1 639 . 1 1 125 125 ASN C C 13 176.3 0.2 . 1 . . . . 111 ASN C . 25384 1 640 . 1 1 125 125 ASN CA C 13 54.1 0.2 . 1 . . . . 111 ASN CA . 25384 1 641 . 1 1 125 125 ASN CB C 13 38.8 0.2 . 1 . . . . 111 ASN CB . 25384 1 642 . 1 1 125 125 ASN N N 15 119.2 0.2 . 1 . . . . 111 ASN N . 25384 1 643 . 1 1 126 126 LEU H H 1 8.28 0.01 . 1 . . . . 112 LEU H . 25384 1 644 . 1 1 126 126 LEU HA H 1 4.25 0.01 . 1 . . . . 112 LEU HA . 25384 1 645 . 1 1 126 126 LEU C C 13 178.4 0.2 . 1 . . . . 112 LEU C . 25384 1 646 . 1 1 126 126 LEU CA C 13 56.4 0.2 . 1 . . . . 112 LEU CA . 25384 1 647 . 1 1 126 126 LEU CB C 13 42.6 0.2 . 1 . . . . 112 LEU CB . 25384 1 648 . 1 1 126 126 LEU N N 15 122.6 0.2 . 1 . . . . 112 LEU N . 25384 1 649 . 1 1 127 127 SER H H 1 8.29 0.01 . 1 . . . . 113 SER H . 25384 1 650 . 1 1 127 127 SER HA H 1 4.32 0.01 . 1 . . . . 113 SER HA . 25384 1 651 . 1 1 127 127 SER C C 13 175.4 0.2 . 1 . . . . 113 SER C . 25384 1 652 . 1 1 127 127 SER CA C 13 59.8 0.2 . 1 . . . . 113 SER CA . 25384 1 653 . 1 1 127 127 SER CB C 13 63.7 0.2 . 1 . . . . 113 SER CB . 25384 1 654 . 1 1 127 127 SER N N 15 115.4 0.2 . 1 . . . . 113 SER N . 25384 1 655 . 1 1 128 128 ARG H H 1 8.11 0.01 . 1 . . . . 114 ARG H . 25384 1 656 . 1 1 128 128 ARG HA H 1 4.27 0.01 . 1 . . . . 114 ARG HA . 25384 1 657 . 1 1 128 128 ARG C C 13 176.8 0.2 . 1 . . . . 114 ARG C . 25384 1 658 . 1 1 128 128 ARG CA C 13 57 0.2 . 1 . . . . 114 ARG CA . 25384 1 659 . 1 1 128 128 ARG CB C 13 30.9 0.2 . 1 . . . . 114 ARG CB . 25384 1 660 . 1 1 128 128 ARG N N 15 122.2 0.2 . 1 . . . . 114 ARG N . 25384 1 661 . 1 1 129 129 ARG H H 1 8.15 0.01 . 1 . . . . 115 ARG H . 25384 1 662 . 1 1 129 129 ARG HA H 1 4.28 0.01 . 1 . . . . 115 ARG HA . 25384 1 663 . 1 1 129 129 ARG C C 13 176.7 0.2 . 1 . . . . 115 ARG C . 25384 1 664 . 1 1 129 129 ARG CA C 13 56.9 0.2 . 1 . . . . 115 ARG CA . 25384 1 665 . 1 1 129 129 ARG CB C 13 30.9 0.2 . 1 . . . . 115 ARG CB . 25384 1 666 . 1 1 129 129 ARG N N 15 121.1 0.2 . 1 . . . . 115 ARG N . 25384 1 667 . 1 1 130 130 LEU H H 1 8.21 0.01 . 1 . . . . 116 LEU H . 25384 1 668 . 1 1 130 130 LEU HA H 1 4.32 0.01 . 1 . . . . 116 LEU HA . 25384 1 669 . 1 1 130 130 LEU C C 13 177.6 0.2 . 1 . . . . 116 LEU C . 25384 1 670 . 1 1 130 130 LEU CA C 13 55.8 0.2 . 1 . . . . 116 LEU CA . 25384 1 671 . 1 1 130 130 LEU CB C 13 42.7 0.2 . 1 . . . . 116 LEU CB . 25384 1 672 . 1 1 130 130 LEU N N 15 123 0.2 . 1 . . . . 116 LEU N . 25384 1 673 . 1 1 131 131 LYS H H 1 8.28 0.01 . 1 . . . . 117 LYS H . 25384 1 674 . 1 1 131 131 LYS HA H 1 4.32 0.01 . 1 . . . . 117 LYS HA . 25384 1 675 . 1 1 131 131 LYS C C 13 176.8 0.2 . 1 . . . . 117 LYS C . 25384 1 676 . 1 1 131 131 LYS CA C 13 56.5 0.2 . 1 . . . . 117 LYS CA . 25384 1 677 . 1 1 131 131 LYS CB C 13 33.2 0.2 . 1 . . . . 117 LYS CB . 25384 1 678 . 1 1 131 131 LYS N N 15 122.5 0.2 . 1 . . . . 117 LYS N . 25384 1 679 . 1 1 132 132 VAL H H 1 8.28 0.01 . 1 . . . . 118 VAL H . 25384 1 680 . 1 1 132 132 VAL HA H 1 4.12 0.01 . 1 . . . . 118 VAL HA . 25384 1 681 . 1 1 132 132 VAL C C 13 176.7 0.2 . 1 . . . . 118 VAL C . 25384 1 682 . 1 1 132 132 VAL CA C 13 62.8 0.2 . 1 . . . . 118 VAL CA . 25384 1 683 . 1 1 132 132 VAL CB C 13 33.2 0.2 . 1 . . . . 118 VAL CB . 25384 1 684 . 1 1 132 132 VAL N N 15 121.5 0.2 . 1 . . . . 118 VAL N . 25384 1 685 . 1 1 133 133 THR H H 1 8.21 0.01 . 1 . . . . 119 THR H . 25384 1 686 . 1 1 133 133 THR HA H 1 4.32 0.01 . 1 . . . . 119 THR HA . 25384 1 687 . 1 1 133 133 THR C C 13 175.4 0.2 . 1 . . . . 119 THR C . 25384 1 688 . 1 1 133 133 THR CA C 13 62.5 0.2 . 1 . . . . 119 THR CA . 25384 1 689 . 1 1 133 133 THR CB C 13 70.2 0.2 . 1 . . . . 119 THR CB . 25384 1 690 . 1 1 133 133 THR N N 15 117.1 0.2 . 1 . . . . 119 THR N . 25384 1 691 . 1 1 134 134 GLY H H 1 8.46 0.01 . 1 . . . . 120 GLY H . 25384 1 692 . 1 1 134 134 GLY HA2 H 1 3.96 0.01 . 2 . . . . 120 GLY HA2 . 25384 1 693 . 1 1 134 134 GLY HA3 H 1 3.96 0.01 . 2 . . . . 120 GLY HA3 . 25384 1 694 . 1 1 134 134 GLY C C 13 174.1 0.2 . 1 . . . . 120 GLY C . 25384 1 695 . 1 1 134 134 GLY CA C 13 45.7 0.2 . 1 . . . . 120 GLY CA . 25384 1 696 . 1 1 134 134 GLY N N 15 111.2 0.2 . 1 . . . . 120 GLY N . 25384 1 697 . 1 1 135 135 ASP H H 1 8.29 0.01 . 1 . . . . 121 ASP H . 25384 1 698 . 1 1 135 135 ASP HA H 1 4.53 0.01 . 1 . . . . 121 ASP HA . 25384 1 699 . 1 1 135 135 ASP C C 13 176.7 0.2 . 1 . . . . 121 ASP C . 25384 1 700 . 1 1 135 135 ASP CA C 13 54.9 0.2 . 1 . . . . 121 ASP CA . 25384 1 701 . 1 1 135 135 ASP CB C 13 41.6 0.2 . 1 . . . . 121 ASP CB . 25384 1 702 . 1 1 135 135 ASP N N 15 120.9 0.2 . 1 . . . . 121 ASP N . 25384 1 703 . 1 1 136 136 LEU H H 1 8.2 0.01 . 1 . . . . 122 LEU H . 25384 1 704 . 1 1 136 136 LEU HA H 1 4.18 0.01 . 1 . . . . 122 LEU HA . 25384 1 705 . 1 1 136 136 LEU C C 13 177.5 0.2 . 1 . . . . 122 LEU C . 25384 1 706 . 1 1 136 136 LEU CA C 13 56.1 0.2 . 1 . . . . 122 LEU CA . 25384 1 707 . 1 1 136 136 LEU CB C 13 42.3 0.2 . 1 . . . . 122 LEU CB . 25384 1 708 . 1 1 136 136 LEU N N 15 122 0.2 . 1 . . . . 122 LEU N . 25384 1 709 . 1 1 137 137 PHE H H 1 8.15 0.01 . 1 . . . . 123 PHE H . 25384 1 710 . 1 1 137 137 PHE HA H 1 4.52 0.01 . 1 . . . . 123 PHE HA . 25384 1 711 . 1 1 137 137 PHE C C 13 175.9 0.2 . 1 . . . . 123 PHE C . 25384 1 712 . 1 1 137 137 PHE CA C 13 58.4 0.2 . 1 . . . . 123 PHE CA . 25384 1 713 . 1 1 137 137 PHE CB C 13 39.8 0.2 . 1 . . . . 123 PHE CB . 25384 1 714 . 1 1 137 137 PHE N N 15 119.9 0.2 . 1 . . . . 123 PHE N . 25384 1 715 . 1 1 138 138 ASP H H 1 8.24 0.01 . 1 . . . . 124 ASP H . 25384 1 716 . 1 1 138 138 ASP HA H 1 4.57 0.01 . 1 . . . . 124 ASP HA . 25384 1 717 . 1 1 138 138 ASP C C 13 176.9 0.2 . 1 . . . . 124 ASP C . 25384 1 718 . 1 1 138 138 ASP CA C 13 54.8 0.2 . 1 . . . . 124 ASP CA . 25384 1 719 . 1 1 138 138 ASP CB C 13 41.5 0.2 . 1 . . . . 124 ASP CB . 25384 1 720 . 1 1 138 138 ASP N N 15 122 0.2 . 1 . . . . 124 ASP N . 25384 1 721 . 1 1 139 139 ILE H H 1 8.14 0.01 . 1 . . . . 125 ILE H . 25384 1 722 . 1 1 139 139 ILE HA H 1 4.08 0.01 . 1 . . . . 125 ILE HA . 25384 1 723 . 1 1 139 139 ILE C C 13 177.2 0.2 . 1 . . . . 125 ILE C . 25384 1 724 . 1 1 139 139 ILE CA C 13 62.3 0.2 . 1 . . . . 125 ILE CA . 25384 1 725 . 1 1 139 139 ILE CB C 13 38.9 0.2 . 1 . . . . 125 ILE CB . 25384 1 726 . 1 1 139 139 ILE N N 15 121.4 0.2 . 1 . . . . 125 ILE N . 25384 1 727 . 1 1 140 140 MET H H 1 8.43 0.01 . 1 . . . . 126 MET H . 25384 1 728 . 1 1 140 140 MET HA H 1 4.48 0.01 . 1 . . . . 126 MET HA . 25384 1 729 . 1 1 140 140 MET C C 13 177.2 0.2 . 1 . . . . 126 MET C . 25384 1 730 . 1 1 140 140 MET CA C 13 56 0.2 . 1 . . . . 126 MET CA . 25384 1 731 . 1 1 140 140 MET CB C 13 32.5 0.2 . 1 . . . . 126 MET CB . 25384 1 732 . 1 1 140 140 MET N N 15 122.3 0.2 . 1 . . . . 126 MET N . 25384 1 733 . 1 1 141 141 SER H H 1 8.19 0.01 . 1 . . . . 127 SER H . 25384 1 734 . 1 1 141 141 SER HA H 1 4.37 0.01 . 1 . . . . 127 SER HA . 25384 1 735 . 1 1 141 141 SER C C 13 175.6 0.2 . 1 . . . . 127 SER C . 25384 1 736 . 1 1 141 141 SER CA C 13 59.4 0.2 . 1 . . . . 127 SER CA . 25384 1 737 . 1 1 141 141 SER CB C 13 64.1 0.2 . 1 . . . . 127 SER CB . 25384 1 738 . 1 1 141 141 SER N N 15 116.5 0.2 . 1 . . . . 127 SER N . 25384 1 739 . 1 1 142 142 GLY H H 1 8.43 0.01 . 1 . . . . 128 GLY H . 25384 1 740 . 1 1 142 142 GLY HA2 H 1 3.96 0.01 . 2 . . . . 128 GLY HA2 . 25384 1 741 . 1 1 142 142 GLY HA3 H 1 3.96 0.01 . 2 . . . . 128 GLY HA3 . 25384 1 742 . 1 1 142 142 GLY C C 13 174.5 0.2 . 1 . . . . 128 GLY C . 25384 1 743 . 1 1 142 142 GLY CA C 13 45.8 0.2 . 1 . . . . 128 GLY CA . 25384 1 744 . 1 1 142 142 GLY N N 15 110.7 0.2 . 1 . . . . 128 GLY N . 25384 1 745 . 1 1 143 143 GLN H H 1 8.22 0.01 . 1 . . . . 129 GLN H . 25384 1 746 . 1 1 143 143 GLN HA H 1 4.41 0.01 . 1 . . . . 129 GLN HA . 25384 1 747 . 1 1 143 143 GLN C C 13 176.5 0.2 . 1 . . . . 129 GLN C . 25384 1 748 . 1 1 143 143 GLN CA C 13 56.2 0.2 . 1 . . . . 129 GLN CA . 25384 1 749 . 1 1 143 143 GLN CB C 13 29.8 0.2 . 1 . . . . 129 GLN CB . 25384 1 750 . 1 1 143 143 GLN N N 15 119.9 0.2 . 1 . . . . 129 GLN N . 25384 1 751 . 1 1 144 144 THR H H 1 8.31 0.01 . 1 . . . . 130 THR H . 25384 1 752 . 1 1 144 144 THR HA H 1 4.36 0.01 . 1 . . . . 130 THR HA . 25384 1 753 . 1 1 144 144 THR C C 13 174.4 0.2 . 1 . . . . 130 THR C . 25384 1 754 . 1 1 144 144 THR CA C 13 62.2 0.2 . 1 . . . . 130 THR CA . 25384 1 755 . 1 1 144 144 THR CB C 13 70.2 0.2 . 1 . . . . 130 THR CB . 25384 1 756 . 1 1 144 144 THR N N 15 115.3 0.2 . 1 . . . . 130 THR N . 25384 1 757 . 1 1 145 145 ASP H H 1 8.46 0.01 . 1 . . . . 131 ASP H . 25384 1 758 . 1 1 145 145 ASP HA H 1 4.62 0.01 . 1 . . . . 131 ASP HA . 25384 1 759 . 1 1 145 145 ASP C C 13 176.6 0.2 . 1 . . . . 131 ASP C . 25384 1 760 . 1 1 145 145 ASP CA C 13 54.5 0.2 . 1 . . . . 131 ASP CA . 25384 1 761 . 1 1 145 145 ASP CB C 13 41.5 0.2 . 1 . . . . 131 ASP CB . 25384 1 762 . 1 1 145 145 ASP N N 15 123 0.2 . 1 . . . . 131 ASP N . 25384 1 763 . 1 1 146 146 VAL H H 1 8.09 0.01 . 1 . . . . 132 VAL H . 25384 1 764 . 1 1 146 146 VAL HA H 1 4.06 0.01 . 1 . . . . 132 VAL HA . 25384 1 765 . 1 1 146 146 VAL C C 13 176.1 0.2 . 1 . . . . 132 VAL C . 25384 1 766 . 1 1 146 146 VAL CA C 13 62.7 0.2 . 1 . . . . 132 VAL CA . 25384 1 767 . 1 1 146 146 VAL CB C 13 33 0.2 . 1 . . . . 132 VAL CB . 25384 1 768 . 1 1 146 146 VAL N N 15 119.3 0.2 . 1 . . . . 132 VAL N . 25384 1 769 . 1 1 147 147 ASP H H 1 8.3 0.01 . 1 . . . . 133 ASP H . 25384 1 770 . 1 1 147 147 ASP HA H 1 4.52 0.01 . 1 . . . . 133 ASP HA . 25384 1 771 . 1 1 147 147 ASP C C 13 175.9 0.2 . 1 . . . . 133 ASP C . 25384 1 772 . 1 1 147 147 ASP CA C 13 54.8 0.2 . 1 . . . . 133 ASP CA . 25384 1 773 . 1 1 147 147 ASP CB C 13 41.7 0.2 . 1 . . . . 133 ASP CB . 25384 1 774 . 1 1 147 147 ASP N N 15 122.2 0.2 . 1 . . . . 133 ASP N . 25384 1 775 . 1 1 148 148 HIS H H 1 8.16 0.01 . 1 . . . . 134 HIS H . 25384 1 776 . 1 1 148 148 HIS HA H 1 4.91 0.01 . 1 . . . . 134 HIS HA . 25384 1 777 . 1 1 148 148 HIS C C 13 172.5 0.2 . 1 . . . . 134 HIS C . 25384 1 778 . 1 1 148 148 HIS CA C 13 53.9 0.2 . 1 . . . . 134 HIS CA . 25384 1 779 . 1 1 148 148 HIS CB C 13 29.3 0.2 . 1 . . . . 134 HIS CB . 25384 1 780 . 1 1 148 148 HIS N N 15 119.2 0.2 . 1 . . . . 134 HIS N . 25384 1 781 . 1 1 149 149 PRO C C 13 177.4 0.2 . 1 . . . . 135 PRO C . 25384 1 782 . 1 1 149 149 PRO CA C 13 63.6 0.2 . 1 . . . . 135 PRO CA . 25384 1 783 . 1 1 149 149 PRO CB C 13 32.8 0.2 . 1 . . . . 135 PRO CB . 25384 1 784 . 1 1 150 150 LEU H H 1 8.58 0.01 . 1 . . . . 136 LEU H . 25384 1 785 . 1 1 150 150 LEU HA H 1 4.34 0.01 . 1 . . . . 136 LEU HA . 25384 1 786 . 1 1 150 150 LEU C C 13 178 0.2 . 1 . . . . 136 LEU C . 25384 1 787 . 1 1 150 150 LEU CA C 13 55.8 0.2 . 1 . . . . 136 LEU CA . 25384 1 788 . 1 1 150 150 LEU CB C 13 42.6 0.2 . 1 . . . . 136 LEU CB . 25384 1 789 . 1 1 150 150 LEU N N 15 122.8 0.2 . 1 . . . . 136 LEU N . 25384 1 790 . 1 1 151 151 SER H H 1 8.38 0.01 . 1 . . . . 137 SER H . 25384 1 791 . 1 1 151 151 SER HA H 1 4.44 0.01 . 1 . . . . 137 SER HA . 25384 1 792 . 1 1 151 151 SER C C 13 174.9 0.2 . 1 . . . . 137 SER C . 25384 1 793 . 1 1 151 151 SER CA C 13 58.6 0.2 . 1 . . . . 137 SER CA . 25384 1 794 . 1 1 151 151 SER CB C 13 64.2 0.2 . 1 . . . . 137 SER CB . 25384 1 795 . 1 1 151 151 SER N N 15 116.6 0.2 . 1 . . . . 137 SER N . 25384 1 796 . 1 1 152 152 GLU H H 1 8.57 0.01 . 1 . . . . 138 GLU H . 25384 1 797 . 1 1 152 152 GLU HA H 1 4.3 0.01 . 1 . . . . 138 GLU HA . 25384 1 798 . 1 1 152 152 GLU C C 13 176.8 0.2 . 1 . . . . 138 GLU C . 25384 1 799 . 1 1 152 152 GLU CA C 13 57 0.2 . 1 . . . . 138 GLU CA . 25384 1 800 . 1 1 152 152 GLU CB C 13 30.7 0.2 . 1 . . . . 138 GLU CB . 25384 1 801 . 1 1 152 152 GLU N N 15 123.2 0.2 . 1 . . . . 138 GLU N . 25384 1 802 . 1 1 153 153 GLU H H 1 8.48 0.01 . 1 . . . . 139 GLU H . 25384 1 803 . 1 1 153 153 GLU HA H 1 4.3 0.01 . 1 . . . . 139 GLU HA . 25384 1 804 . 1 1 153 153 GLU C C 13 177.1 0.2 . 1 . . . . 139 GLU C . 25384 1 805 . 1 1 153 153 GLU CA C 13 54.6 0.2 . 1 . . . . 139 GLU CA . 25384 1 806 . 1 1 153 153 GLU CB C 13 30.5 0.2 . 1 . . . . 139 GLU CB . 25384 1 807 . 1 1 153 153 GLU N N 15 122 0.2 . 1 . . . . 139 GLU N . 25384 1 808 . 1 1 154 154 SER H H 1 8.49 0.01 . 1 . . . . 140 SER H . 25384 1 809 . 1 1 154 154 SER HA H 1 4.53 0.01 . 1 . . . . 140 SER HA . 25384 1 810 . 1 1 154 154 SER C C 13 175.3 0.2 . 1 . . . . 140 SER C . 25384 1 811 . 1 1 154 154 SER CA C 13 58.7 0.2 . 1 . . . . 140 SER CA . 25384 1 812 . 1 1 154 154 SER CB C 13 64.2 0.2 . 1 . . . . 140 SER CB . 25384 1 813 . 1 1 154 154 SER N N 15 117.4 0.2 . 1 . . . . 140 SER N . 25384 1 814 . 1 1 155 155 THR H H 1 8.4 0.01 . 1 . . . . 141 THR H . 25384 1 815 . 1 1 155 155 THR HA H 1 4.37 0.01 . 1 . . . . 141 THR HA . 25384 1 816 . 1 1 155 155 THR C C 13 174.8 0.2 . 1 . . . . 141 THR C . 25384 1 817 . 1 1 155 155 THR CA C 13 62.2 0.2 . 1 . . . . 141 THR CA . 25384 1 818 . 1 1 155 155 THR CB C 13 70 0.2 . 1 . . . . 141 THR CB . 25384 1 819 . 1 1 155 155 THR N N 15 116.3 0.2 . 1 . . . . 141 THR N . 25384 1 820 . 1 1 156 156 ASP H H 1 8.42 0.01 . 1 . . . . 142 ASP H . 25384 1 821 . 1 1 156 156 ASP HA H 1 4.64 0.01 . 1 . . . . 142 ASP HA . 25384 1 822 . 1 1 156 156 ASP C C 13 176.9 0.2 . 1 . . . . 142 ASP C . 25384 1 823 . 1 1 156 156 ASP CA C 13 55 0.2 . 1 . . . . 142 ASP CA . 25384 1 824 . 1 1 156 156 ASP CB C 13 41.3 0.2 . 1 . . . . 142 ASP CB . 25384 1 825 . 1 1 156 156 ASP N N 15 123 0.2 . 1 . . . . 142 ASP N . 25384 1 826 . 1 1 157 157 THR H H 1 8.16 0.01 . 1 . . . . 143 THR H . 25384 1 827 . 1 1 157 157 THR HA H 1 4.25 0.01 . 1 . . . . 143 THR HA . 25384 1 828 . 1 1 157 157 THR C C 13 174.9 0.2 . 1 . . . . 143 THR C . 25384 1 829 . 1 1 157 157 THR CA C 13 62.7 0.2 . 1 . . . . 143 THR CA . 25384 1 830 . 1 1 157 157 THR CB C 13 70 0.2 . 1 . . . . 143 THR CB . 25384 1 831 . 1 1 157 157 THR N N 15 115.1 0.2 . 1 . . . . 143 THR N . 25384 1 832 . 1 1 158 158 LEU H H 1 8.31 0.01 . 1 . . . . 144 LEU H . 25384 1 833 . 1 1 158 158 LEU HA H 1 4.32 0.01 . 1 . . . . 144 LEU HA . 25384 1 834 . 1 1 158 158 LEU C C 13 177.8 0.2 . 1 . . . . 144 LEU C . 25384 1 835 . 1 1 158 158 LEU CA C 13 55.8 0.2 . 1 . . . . 144 LEU CA . 25384 1 836 . 1 1 158 158 LEU CB C 13 42.3 0.2 . 1 . . . . 144 LEU CB . 25384 1 837 . 1 1 158 158 LEU N N 15 124.6 0.2 . 1 . . . . 144 LEU N . 25384 1 838 . 1 1 159 159 LEU H H 1 8.19 0.01 . 1 . . . . 145 LEU H . 25384 1 839 . 1 1 159 159 LEU HA H 1 4.29 0.01 . 1 . . . . 145 LEU HA . 25384 1 840 . 1 1 159 159 LEU C C 13 177.6 0.2 . 1 . . . . 145 LEU C . 25384 1 841 . 1 1 159 159 LEU CA C 13 55.8 0.2 . 1 . . . . 145 LEU CA . 25384 1 842 . 1 1 159 159 LEU CB C 13 42.6 0.2 . 1 . . . . 145 LEU CB . 25384 1 843 . 1 1 159 159 LEU N N 15 122.7 0.2 . 1 . . . . 145 LEU N . 25384 1 844 . 1 1 160 160 ASP H H 1 8.28 0.01 . 1 . . . . 146 ASP H . 25384 1 845 . 1 1 160 160 ASP HA H 1 4.53 0.01 . 1 . . . . 146 ASP HA . 25384 1 846 . 1 1 160 160 ASP C C 13 176.5 0.2 . 1 . . . . 146 ASP C . 25384 1 847 . 1 1 160 160 ASP CA C 13 55 0.2 . 1 . . . . 146 ASP CA . 25384 1 848 . 1 1 160 160 ASP CB C 13 41.3 0.2 . 1 . . . . 146 ASP CB . 25384 1 849 . 1 1 160 160 ASP N N 15 120.7 0.2 . 1 . . . . 146 ASP N . 25384 1 850 . 1 1 161 161 GLN H H 1 8.25 0.01 . 1 . . . . 147 GLN H . 25384 1 851 . 1 1 161 161 GLN HA H 1 4.3 0.01 . 1 . . . . 147 GLN HA . 25384 1 852 . 1 1 161 161 GLN C C 13 176.2 0.2 . 1 . . . . 147 GLN C . 25384 1 853 . 1 1 161 161 GLN CA C 13 56.1 0.2 . 1 . . . . 147 GLN CA . 25384 1 854 . 1 1 161 161 GLN CB C 13 29.7 0.2 . 1 . . . . 147 GLN CB . 25384 1 855 . 1 1 161 161 GLN N N 15 120.3 0.2 . 1 . . . . 147 GLN N . 25384 1 856 . 1 1 162 162 LEU H H 1 8.28 0.01 . 1 . . . . 148 LEU H . 25384 1 857 . 1 1 162 162 LEU HA H 1 4.33 0.01 . 1 . . . . 148 LEU HA . 25384 1 858 . 1 1 162 162 LEU C C 13 177.5 0.2 . 1 . . . . 148 LEU C . 25384 1 859 . 1 1 162 162 LEU CA C 13 55.7 0.2 . 1 . . . . 148 LEU CA . 25384 1 860 . 1 1 162 162 LEU CB C 13 42.8 0.2 . 1 . . . . 148 LEU CB . 25384 1 861 . 1 1 162 162 LEU N N 15 123.3 0.2 . 1 . . . . 148 LEU N . 25384 1 862 . 1 1 163 163 ASP H H 1 8.38 0.01 . 1 . . . . 149 ASP H . 25384 1 863 . 1 1 163 163 ASP HA H 1 4.61 0.01 . 1 . . . . 149 ASP HA . 25384 1 864 . 1 1 163 163 ASP C C 13 176.3 0.2 . 1 . . . . 149 ASP C . 25384 1 865 . 1 1 163 163 ASP CA C 13 54.9 0.2 . 1 . . . . 149 ASP CA . 25384 1 866 . 1 1 163 163 ASP CB C 13 41.4 0.2 . 1 . . . . 149 ASP CB . 25384 1 867 . 1 1 163 163 ASP N N 15 120.9 0.2 . 1 . . . . 149 ASP N . 25384 1 868 . 1 1 164 164 THR H H 1 7.94 0.01 . 1 . . . . 150 THR H . 25384 1 869 . 1 1 164 164 THR HA H 1 4.25 0.01 . 1 . . . . 150 THR HA . 25384 1 870 . 1 1 164 164 THR C C 13 173.6 0.2 . 1 . . . . 150 THR C . 25384 1 871 . 1 1 164 164 THR CA C 13 61.9 0.2 . 1 . . . . 150 THR CA . 25384 1 872 . 1 1 164 164 THR CB C 13 70.2 0.2 . 1 . . . . 150 THR CB . 25384 1 873 . 1 1 164 164 THR N N 15 113.5 0.2 . 1 . . . . 150 THR N . 25384 1 stop_ save_