data_25557 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25557 _Entry.Title ; Backbone chemical shift assignments for reduced peroxiredoxin Q from the plant pathogen Xanthomonas campestris. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-28 _Entry.Accession_date 2015-04-02 _Entry.Last_release_date 2015-05-11 _Entry.Original_release_date 2015-05-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Garry Buchko . W. . . 25557 2 Arden Perkins . . . . 25557 3 P. Karplus . Andrew . . 25557 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25557 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 25557 '15N chemical shifts' 151 25557 '1H chemical shifts' 151 25557 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-08-25 2015-04-08 update BMRB 'update entry citation' 25557 1 . . 2015-05-08 2015-04-08 original author 'original release' 25557 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25566 'Same protein but in the reduced state.' 25557 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25557 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26438558 _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignments for Xanthomonas campestris peroxiredoxin Q in the reduced and oxidized states: a dramatic change in backbone dynamics ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 57 _Citation.Page_last 61 _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 Garry Buchko . W. . . 25557 1 2 Arden Perkins . . . . 25557 1 3 Derek Parsonage . . . . 25557 1 4 Leslie Poole . B. . . 25557 1 5 P. Karplus . Andrew . . 25557 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dynamics 25557 1 peroxidases 25557 1 'plant pathogens' 25557 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25557 _Assembly.ID 1 _Assembly.Name PrxQ _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 PrxQ 1 $PrxQ A . yes native no no . . . 25557 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID peroxidase 25557 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PrxQ _Entity.Sf_category entity _Entity.Sf_framecode PrxQ _Entity.Entry_ID 25557 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PrxQ _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 ; MTDAVLELPAATFDLPLSLS GGTQTTLRAHAGHWLVIYFY PKDSTPGCTTEGLDFNALLP EFDKAGAKILGVSRDSVKSH DNFCAKQGFAFPLVSDGDEA LCRAFDVIKEKNMYGKQVLG IERSTFLLSPEGQVVQAWRK VKVAGHADAVLAALKAHAKQ ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID peroxidase 25557 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 1 MET . 25557 1 2 2 THR . 25557 1 3 3 ASP . 25557 1 4 4 ALA . 25557 1 5 5 VAL . 25557 1 6 6 LEU . 25557 1 7 7 GLU . 25557 1 8 8 LEU . 25557 1 9 9 PRO . 25557 1 10 10 ALA . 25557 1 11 11 ALA . 25557 1 12 12 THR . 25557 1 13 13 PHE . 25557 1 14 14 ASP . 25557 1 15 15 LEU . 25557 1 16 16 PRO . 25557 1 17 17 LEU . 25557 1 18 18 SER . 25557 1 19 19 LEU . 25557 1 20 20 SER . 25557 1 21 21 GLY . 25557 1 22 22 GLY . 25557 1 23 23 THR . 25557 1 24 24 GLN . 25557 1 25 25 THR . 25557 1 26 26 THR . 25557 1 27 27 LEU . 25557 1 28 28 ARG . 25557 1 29 29 ALA . 25557 1 30 30 HIS . 25557 1 31 31 ALA . 25557 1 32 32 GLY . 25557 1 33 33 HIS . 25557 1 34 34 TRP . 25557 1 35 35 LEU . 25557 1 36 36 VAL . 25557 1 37 37 ILE . 25557 1 38 38 TYR . 25557 1 39 39 PHE . 25557 1 40 40 TYR . 25557 1 41 41 PRO . 25557 1 42 42 LYS . 25557 1 43 43 ASP . 25557 1 44 44 SER . 25557 1 45 45 THR . 25557 1 46 46 PRO . 25557 1 47 47 GLY . 25557 1 48 48 CYS . 25557 1 49 49 THR . 25557 1 50 50 THR . 25557 1 51 51 GLU . 25557 1 52 52 GLY . 25557 1 53 53 LEU . 25557 1 54 54 ASP . 25557 1 55 55 PHE . 25557 1 56 56 ASN . 25557 1 57 57 ALA . 25557 1 58 58 LEU . 25557 1 59 59 LEU . 25557 1 60 60 PRO . 25557 1 61 61 GLU . 25557 1 62 62 PHE . 25557 1 63 63 ASP . 25557 1 64 64 LYS . 25557 1 65 65 ALA . 25557 1 66 66 GLY . 25557 1 67 67 ALA . 25557 1 68 68 LYS . 25557 1 69 69 ILE . 25557 1 70 70 LEU . 25557 1 71 71 GLY . 25557 1 72 72 VAL . 25557 1 73 73 SER . 25557 1 74 74 ARG . 25557 1 75 75 ASP . 25557 1 76 76 SER . 25557 1 77 77 VAL . 25557 1 78 78 LYS . 25557 1 79 79 SER . 25557 1 80 80 HIS . 25557 1 81 81 ASP . 25557 1 82 82 ASN . 25557 1 83 83 PHE . 25557 1 84 84 CYS . 25557 1 85 85 ALA . 25557 1 86 86 LYS . 25557 1 87 87 GLN . 25557 1 88 88 GLY . 25557 1 89 89 PHE . 25557 1 90 90 ALA . 25557 1 91 91 PHE . 25557 1 92 92 PRO . 25557 1 93 93 LEU . 25557 1 94 94 VAL . 25557 1 95 95 SER . 25557 1 96 96 ASP . 25557 1 97 97 GLY . 25557 1 98 98 ASP . 25557 1 99 99 GLU . 25557 1 100 100 ALA . 25557 1 101 101 LEU . 25557 1 102 102 CYS . 25557 1 103 103 ARG . 25557 1 104 104 ALA . 25557 1 105 105 PHE . 25557 1 106 106 ASP . 25557 1 107 107 VAL . 25557 1 108 108 ILE . 25557 1 109 109 LYS . 25557 1 110 110 GLU . 25557 1 111 111 LYS . 25557 1 112 112 ASN . 25557 1 113 113 MET . 25557 1 114 114 TYR . 25557 1 115 115 GLY . 25557 1 116 116 LYS . 25557 1 117 117 GLN . 25557 1 118 118 VAL . 25557 1 119 119 LEU . 25557 1 120 120 GLY . 25557 1 121 121 ILE . 25557 1 122 122 GLU . 25557 1 123 123 ARG . 25557 1 124 124 SER . 25557 1 125 125 THR . 25557 1 126 126 PHE . 25557 1 127 127 LEU . 25557 1 128 128 LEU . 25557 1 129 129 SER . 25557 1 130 130 PRO . 25557 1 131 131 GLU . 25557 1 132 132 GLY . 25557 1 133 133 GLN . 25557 1 134 134 VAL . 25557 1 135 135 VAL . 25557 1 136 136 GLN . 25557 1 137 137 ALA . 25557 1 138 138 TRP . 25557 1 139 139 ARG . 25557 1 140 140 LYS . 25557 1 141 141 VAL . 25557 1 142 142 LYS . 25557 1 143 143 VAL . 25557 1 144 144 ALA . 25557 1 145 145 GLY . 25557 1 146 146 HIS . 25557 1 147 147 ALA . 25557 1 148 148 ASP . 25557 1 149 149 ALA . 25557 1 150 150 VAL . 25557 1 151 151 LEU . 25557 1 152 152 ALA . 25557 1 153 153 ALA . 25557 1 154 154 LEU . 25557 1 155 155 LYS . 25557 1 156 156 ALA . 25557 1 157 157 HIS . 25557 1 158 158 ALA . 25557 1 159 159 LYS . 25557 1 160 160 GLN . 25557 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 25557 1 . THR 2 2 25557 1 . ASP 3 3 25557 1 . ALA 4 4 25557 1 . VAL 5 5 25557 1 . LEU 6 6 25557 1 . GLU 7 7 25557 1 . LEU 8 8 25557 1 . PRO 9 9 25557 1 . ALA 10 10 25557 1 . ALA 11 11 25557 1 . THR 12 12 25557 1 . PHE 13 13 25557 1 . ASP 14 14 25557 1 . LEU 15 15 25557 1 . PRO 16 16 25557 1 . LEU 17 17 25557 1 . SER 18 18 25557 1 . LEU 19 19 25557 1 . SER 20 20 25557 1 . GLY 21 21 25557 1 . GLY 22 22 25557 1 . THR 23 23 25557 1 . GLN 24 24 25557 1 . THR 25 25 25557 1 . THR 26 26 25557 1 . LEU 27 27 25557 1 . ARG 28 28 25557 1 . ALA 29 29 25557 1 . HIS 30 30 25557 1 . ALA 31 31 25557 1 . GLY 32 32 25557 1 . HIS 33 33 25557 1 . TRP 34 34 25557 1 . LEU 35 35 25557 1 . VAL 36 36 25557 1 . ILE 37 37 25557 1 . TYR 38 38 25557 1 . PHE 39 39 25557 1 . TYR 40 40 25557 1 . PRO 41 41 25557 1 . LYS 42 42 25557 1 . ASP 43 43 25557 1 . SER 44 44 25557 1 . THR 45 45 25557 1 . PRO 46 46 25557 1 . GLY 47 47 25557 1 . CYS 48 48 25557 1 . THR 49 49 25557 1 . THR 50 50 25557 1 . GLU 51 51 25557 1 . GLY 52 52 25557 1 . LEU 53 53 25557 1 . ASP 54 54 25557 1 . PHE 55 55 25557 1 . ASN 56 56 25557 1 . ALA 57 57 25557 1 . LEU 58 58 25557 1 . LEU 59 59 25557 1 . PRO 60 60 25557 1 . GLU 61 61 25557 1 . PHE 62 62 25557 1 . ASP 63 63 25557 1 . LYS 64 64 25557 1 . ALA 65 65 25557 1 . GLY 66 66 25557 1 . ALA 67 67 25557 1 . LYS 68 68 25557 1 . ILE 69 69 25557 1 . LEU 70 70 25557 1 . GLY 71 71 25557 1 . VAL 72 72 25557 1 . SER 73 73 25557 1 . ARG 74 74 25557 1 . ASP 75 75 25557 1 . SER 76 76 25557 1 . VAL 77 77 25557 1 . LYS 78 78 25557 1 . SER 79 79 25557 1 . HIS 80 80 25557 1 . ASP 81 81 25557 1 . ASN 82 82 25557 1 . PHE 83 83 25557 1 . CYS 84 84 25557 1 . ALA 85 85 25557 1 . LYS 86 86 25557 1 . GLN 87 87 25557 1 . GLY 88 88 25557 1 . PHE 89 89 25557 1 . ALA 90 90 25557 1 . PHE 91 91 25557 1 . PRO 92 92 25557 1 . LEU 93 93 25557 1 . VAL 94 94 25557 1 . SER 95 95 25557 1 . ASP 96 96 25557 1 . GLY 97 97 25557 1 . ASP 98 98 25557 1 . GLU 99 99 25557 1 . ALA 100 100 25557 1 . LEU 101 101 25557 1 . CYS 102 102 25557 1 . ARG 103 103 25557 1 . ALA 104 104 25557 1 . PHE 105 105 25557 1 . ASP 106 106 25557 1 . VAL 107 107 25557 1 . ILE 108 108 25557 1 . LYS 109 109 25557 1 . GLU 110 110 25557 1 . LYS 111 111 25557 1 . ASN 112 112 25557 1 . MET 113 113 25557 1 . TYR 114 114 25557 1 . GLY 115 115 25557 1 . LYS 116 116 25557 1 . GLN 117 117 25557 1 . VAL 118 118 25557 1 . LEU 119 119 25557 1 . GLY 120 120 25557 1 . ILE 121 121 25557 1 . GLU 122 122 25557 1 . ARG 123 123 25557 1 . SER 124 124 25557 1 . THR 125 125 25557 1 . PHE 126 126 25557 1 . LEU 127 127 25557 1 . LEU 128 128 25557 1 . SER 129 129 25557 1 . PRO 130 130 25557 1 . GLU 131 131 25557 1 . GLY 132 132 25557 1 . GLN 133 133 25557 1 . VAL 134 134 25557 1 . VAL 135 135 25557 1 . GLN 136 136 25557 1 . ALA 137 137 25557 1 . TRP 138 138 25557 1 . ARG 139 139 25557 1 . LYS 140 140 25557 1 . VAL 141 141 25557 1 . LYS 142 142 25557 1 . VAL 143 143 25557 1 . ALA 144 144 25557 1 . GLY 145 145 25557 1 . HIS 146 146 25557 1 . ALA 147 147 25557 1 . ASP 148 148 25557 1 . ALA 149 149 25557 1 . VAL 150 150 25557 1 . LEU 151 151 25557 1 . ALA 152 152 25557 1 . ALA 153 153 25557 1 . LEU 154 154 25557 1 . LYS 155 155 25557 1 . ALA 156 156 25557 1 . HIS 157 157 25557 1 . ALA 158 158 25557 1 . LYS 159 159 25557 1 . GLN 160 160 25557 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 25557 _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 $PrxQ . 339 organism . 'Xanthomonas campestris' 'Xanthomonas campestris' . . Bacteria . Xanthomonas campestris 17 . . . . . . . . . . . . 25557 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 25557 _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 $PrxQ . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pTHC . . . 25557 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25557 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 PrxQ '[U-99% 13C; U-99% 15N]' . . 1 $PrxQ . protein 1.0 . . mM 0.2 . . . 25557 1 2 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM 2 . . . 25557 1 3 TRIS 'natural abundance' . . . . . buffer 20 . . mM 0.5 . . . 25557 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 25557 1 5 H2O 'natural abundance' . . . . . solvent 93 . . % . . . . 25557 1 6 D2O [U-2H] . . . . . solvent 7 . . % . . . . 25557 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 25557 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 50 mM 25557 1 pH 7 0.2 pH 25557 1 pressure 1 . atm 25557 1 temperature 293 0.5 K 25557 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25557 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25557 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25557 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 25557 _Software.ID 2 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 25557 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25557 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 25557 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25557 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25557 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 25557 _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 Varian VNMRS . 750 . . . 25557 1 2 spectrometer_2 Varian INOVA . 600 . . . 25557 1 3 spectrometer_3 Varian INOVA . 500 . . . 25557 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 25557 _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 . . . . . . . . . . . . . . . . 25557 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25557 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25557 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25557 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25557 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25557 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25557 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25557 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 25557 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25557 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25557 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25557 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 25557 _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' 1 $sample_1 isotropic 25557 1 3 '3D HNCACO' 1 $sample_1 isotropic 25557 1 4 '3D HNCACB' 1 $sample_1 isotropic 25557 1 6 '3D C(CO)NH' 1 $sample_1 isotropic 25557 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 25557 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 2 2 THR H H 1 8.27 0.02 . 1 . . . . 2 THR H . 25557 1 2 . 1 1 2 2 THR CA C 13 61.9 0.2 . 1 . . . . 2 THR CA . 25557 1 3 . 1 1 2 2 THR CB C 13 69.8 0.2 . 1 . . . . 2 THR CB . 25557 1 4 . 1 1 2 2 THR CG2 C 13 21.4 0.2 . 1 . . . . 2 THR CG2 . 25557 1 5 . 1 1 2 2 THR N N 15 119.0 0.2 . 1 . . . . 2 THR N . 25557 1 6 . 1 1 3 3 ASP H H 1 8.44 0.02 . 1 . . . . 3 ASP H . 25557 1 7 . 1 1 3 3 ASP C C 13 175.3 0.2 . 1 . . . . 3 ASP C . 25557 1 8 . 1 1 3 3 ASP CA C 13 54.2 0.2 . 1 . . . . 3 ASP CA . 25557 1 9 . 1 1 3 3 ASP CB C 13 41.3 0.2 . 1 . . . . 3 ASP CB . 25557 1 10 . 1 1 3 3 ASP N N 15 122.3 0.2 . 1 . . . . 3 ASP N . 25557 1 11 . 1 1 4 4 ALA H H 1 8.48 0.02 . 1 . . . . 4 ALA H . 25557 1 12 . 1 1 4 4 ALA C C 13 178.4 0.2 . 1 . . . . 4 ALA C . 25557 1 13 . 1 1 4 4 ALA CA C 13 52.2 0.2 . 1 . . . . 4 ALA CA . 25557 1 14 . 1 1 4 4 ALA CB C 13 19.9 0.2 . 1 . . . . 4 ALA CB . 25557 1 15 . 1 1 4 4 ALA N N 15 123.8 0.2 . 1 . . . . 4 ALA N . 25557 1 16 . 1 1 5 5 VAL H H 1 8.52 0.02 . 1 . . . . 5 VAL H . 25557 1 17 . 1 1 5 5 VAL C C 13 175.5 0.2 . 1 . . . . 5 VAL C . 25557 1 18 . 1 1 5 5 VAL CA C 13 62.4 0.2 . 1 . . . . 5 VAL CA . 25557 1 19 . 1 1 5 5 VAL CB C 13 32.3 0.2 . 1 . . . . 5 VAL CB . 25557 1 20 . 1 1 5 5 VAL CG1 C 13 21.5 0.2 . 2 . . . . 5 VAL CG1 . 25557 1 21 . 1 1 5 5 VAL CG2 C 13 19.9 0.2 . 2 . . . . 5 VAL CG2 . 25557 1 22 . 1 1 5 5 VAL N N 15 116.9 0.2 . 1 . . . . 5 VAL N . 25557 1 23 . 1 1 6 6 LEU H H 1 7.61 0.02 . 1 . . . . 6 LEU H . 25557 1 24 . 1 1 6 6 LEU C C 13 174.1 0.2 . 1 . . . . 6 LEU C . 25557 1 25 . 1 1 6 6 LEU CA C 13 54.9 0.2 . 1 . . . . 6 LEU CA . 25557 1 26 . 1 1 6 6 LEU CB C 13 44.3 0.2 . 1 . . . . 6 LEU CB . 25557 1 27 . 1 1 6 6 LEU CD1 C 13 24.0 0.2 . 2 . . . . 6 LEU CD1 . 25557 1 28 . 1 1 6 6 LEU CD2 C 13 24.0 0.2 . 2 . . . . 6 LEU CD2 . 25557 1 29 . 1 1 6 6 LEU CG C 13 27.1 0.2 . 1 . . . . 6 LEU CG . 25557 1 30 . 1 1 6 6 LEU N N 15 121.5 0.2 . 1 . . . . 6 LEU N . 25557 1 31 . 1 1 7 7 GLU H H 1 8.72 0.02 . 1 . . . . 7 GLU H . 25557 1 32 . 1 1 7 7 GLU C C 13 175.1 0.2 . 1 . . . . 7 GLU C . 25557 1 33 . 1 1 7 7 GLU CA C 13 55.0 0.2 . 1 . . . . 7 GLU CA . 25557 1 34 . 1 1 7 7 GLU CB C 13 30.3 0.2 . 1 . . . . 7 GLU CB . 25557 1 35 . 1 1 7 7 GLU CG C 13 35.9 0.2 . 1 . . . . 7 GLU CG . 25557 1 36 . 1 1 7 7 GLU N N 15 125.6 0.2 . 1 . . . . 7 GLU N . 25557 1 37 . 1 1 8 8 LEU H H 1 8.36 0.02 . 1 . . . . 8 LEU H . 25557 1 38 . 1 1 8 8 LEU C C 13 174.9 0.2 . 1 . . . . 8 LEU C . 25557 1 39 . 1 1 8 8 LEU CA C 13 51.8 0.2 . 1 . . . . 8 LEU CA . 25557 1 40 . 1 1 8 8 LEU CB C 13 43.0 0.2 . 1 . . . . 8 LEU CB . 25557 1 41 . 1 1 8 8 LEU N N 15 126.1 0.2 . 1 . . . . 8 LEU N . 25557 1 42 . 1 1 9 9 PRO C C 13 178.7 0.2 . 1 . . . . 9 PRO C . 25557 1 43 . 1 1 9 9 PRO CA C 13 62.7 0.2 . 1 . . . . 9 PRO CA . 25557 1 44 . 1 1 9 9 PRO CB C 13 31.9 0.2 . 1 . . . . 9 PRO CB . 25557 1 45 . 1 1 9 9 PRO CG C 13 27.7 0.2 . 1 . . . . 9 PRO CG . 25557 1 46 . 1 1 10 10 ALA H H 1 9.08 0.02 . 1 . . . . 10 ALA H . 25557 1 47 . 1 1 10 10 ALA C C 13 180.0 0.2 . 1 . . . . 10 ALA C . 25557 1 48 . 1 1 10 10 ALA CA C 13 55.8 0.2 . 1 . . . . 10 ALA CA . 25557 1 49 . 1 1 10 10 ALA CB C 13 18.3 0.2 . 1 . . . . 10 ALA CB . 25557 1 50 . 1 1 10 10 ALA N N 15 129.6 0.2 . 1 . . . . 10 ALA N . 25557 1 51 . 1 1 11 11 ALA H H 1 8.74 0.02 . 1 . . . . 11 ALA H . 25557 1 52 . 1 1 11 11 ALA C C 13 180.1 0.2 . 1 . . . . 11 ALA C . 25557 1 53 . 1 1 11 11 ALA CA C 13 54.3 0.2 . 1 . . . . 11 ALA CA . 25557 1 54 . 1 1 11 11 ALA CB C 13 18.3 0.2 . 1 . . . . 11 ALA CB . 25557 1 55 . 1 1 11 11 ALA N N 15 117.3 0.2 . 1 . . . . 11 ALA N . 25557 1 56 . 1 1 12 12 THR H H 1 8.07 0.02 . 1 . . . . 12 THR H . 25557 1 57 . 1 1 12 12 THR C C 13 176.1 0.2 . 1 . . . . 12 THR C . 25557 1 58 . 1 1 12 12 THR CA C 13 65.8 0.02 . 1 . . . . 12 THR CA . 25557 1 59 . 1 1 12 12 THR CB C 13 68.8 0.02 . 1 . . . . 12 THR CB . 25557 1 60 . 1 1 12 12 THR CG2 C 13 21.8 0.02 . 1 . . . . 12 THR CG2 . 25557 1 61 . 1 1 12 12 THR N N 15 113.5 0.2 . 1 . . . . 12 THR N . 25557 1 62 . 1 1 13 13 PHE H H 1 7.66 0.02 . 1 . . . . 13 PHE H . 25557 1 63 . 1 1 13 13 PHE C C 13 173.5 0.2 . 1 . . . . 13 PHE C . 25557 1 64 . 1 1 13 13 PHE CA C 13 61.2 0.02 . 1 . . . . 13 PHE CA . 25557 1 65 . 1 1 13 13 PHE CB C 13 38.3 0.02 . 1 . . . . 13 PHE CB . 25557 1 66 . 1 1 13 13 PHE N N 15 115.7 0.2 . 1 . . . . 13 PHE N . 25557 1 67 . 1 1 14 14 ASP H H 1 7.31 0.02 . 1 . . . . 14 ASP H . 25557 1 68 . 1 1 14 14 ASP C C 13 175.4 0.2 . 1 . . . . 14 ASP C . 25557 1 69 . 1 1 14 14 ASP CA C 13 53.4 0.2 . 1 . . . . 14 ASP CA . 25557 1 70 . 1 1 14 14 ASP CB C 13 43.0 0.2 . 1 . . . . 14 ASP CB . 25557 1 71 . 1 1 14 14 ASP N N 15 113.3 0.2 . 1 . . . . 14 ASP N . 25557 1 72 . 1 1 15 15 LEU H H 1 6.99 0.02 . 1 . . . . 15 LEU H . 25557 1 73 . 1 1 15 15 LEU C C 13 174.8 0.2 . 1 . . . . 15 LEU C . 25557 1 74 . 1 1 15 15 LEU CA C 13 53.4 0.2 . 1 . . . . 15 LEU CA . 25557 1 75 . 1 1 15 15 LEU CB C 13 42.0 0.2 . 1 . . . . 15 LEU CB . 25557 1 76 . 1 1 15 15 LEU N N 15 123.6 0.2 . 1 . . . . 15 LEU N . 25557 1 77 . 1 1 16 16 PRO C C 13 176.7 0.2 . 1 . . . . 16 PRO C . 25557 1 78 . 1 1 16 16 PRO CA C 13 62.6 0.2 . 1 . . . . 16 PRO CA . 25557 1 79 . 1 1 16 16 PRO CB C 13 31.1 0.2 . 1 . . . . 16 PRO CB . 25557 1 80 . 1 1 16 16 PRO CG C 13 27.7 0.2 . 1 . . . . 16 PRO CG . 25557 1 81 . 1 1 17 17 LEU H H 1 9.31 0.02 . 1 . . . . 17 LEU H . 25557 1 82 . 1 1 17 17 LEU C C 13 176.4 0.2 . 1 . . . . 17 LEU C . 25557 1 83 . 1 1 17 17 LEU CA C 13 52.7 0.2 . 1 . . . . 17 LEU CA . 25557 1 84 . 1 1 17 17 LEU CB C 13 41.6 0.2 . 1 . . . . 17 LEU CB . 25557 1 85 . 1 1 17 17 LEU N N 15 127.1 0.2 . 1 . . . . 17 LEU N . 25557 1 86 . 1 1 18 18 SER H H 1 9.21 0.02 . 1 . . . . 18 SER H . 25557 1 87 . 1 1 18 18 SER C C 13 173.0 0.2 . 1 . . . . 18 SER C . 25557 1 88 . 1 1 18 18 SER CA C 13 59.2 0.2 . 1 . . . . 18 SER CA . 25557 1 89 . 1 1 18 18 SER CB C 13 63.3 0.2 . 1 . . . . 18 SER CB . 25557 1 90 . 1 1 18 18 SER N N 15 120.6 0.2 . 1 . . . . 18 SER N . 25557 1 91 . 1 1 19 19 LEU H H 1 8.55 0.02 . 1 . . . . 19 LEU H . 25557 1 92 . 1 1 19 19 LEU C C 13 179.3 0.2 . 1 . . . . 19 LEU C . 25557 1 93 . 1 1 19 19 LEU CA C 13 53.4 0.2 . 1 . . . . 19 LEU CA . 25557 1 94 . 1 1 19 19 LEU CB C 13 44.6 0.2 . 1 . . . . 19 LEU CB . 25557 1 95 . 1 1 19 19 LEU N N 15 125.3 0.2 . 1 . . . . 19 LEU N . 25557 1 96 . 1 1 20 20 SER H H 1 8.83 0.02 . 1 . . . . 20 SER H . 25557 1 97 . 1 1 20 20 SER C C 13 174.4 0.2 . 1 . . . . 20 SER C . 25557 1 98 . 1 1 20 20 SER CA C 13 59.4 0.2 . 1 . . . . 20 SER CA . 25557 1 99 . 1 1 20 20 SER CB C 13 62.9 0.2 . 1 . . . . 20 SER CB . 25557 1 100 . 1 1 20 20 SER N N 15 115.2 0.2 . 1 . . . . 20 SER N . 25557 1 101 . 1 1 21 21 GLY H H 1 10.55 0.02 . 1 . . . . 21 GLY H . 25557 1 102 . 1 1 21 21 GLY C C 13 176.7 0.2 . 1 . . . . 21 GLY C . 25557 1 103 . 1 1 21 21 GLY CA C 13 45.3 0.2 . 1 . . . . 21 GLY CA . 25557 1 104 . 1 1 21 21 GLY N N 15 114.3 0.2 . 1 . . . . 21 GLY N . 25557 1 105 . 1 1 22 22 GLY H H 1 8.10 0.02 . 1 . . . . 22 GLY H . 25557 1 106 . 1 1 22 22 GLY C C 13 175.0 0.2 . 1 . . . . 22 GLY C . 25557 1 107 . 1 1 22 22 GLY CA C 13 46.8 0.2 . 1 . . . . 22 GLY CA . 25557 1 108 . 1 1 22 22 GLY N N 15 105.7 0.2 . 1 . . . . 22 GLY N . 25557 1 109 . 1 1 23 23 THR H H 1 7.02 0.02 . 1 . . . . 23 THR H . 25557 1 110 . 1 1 23 23 THR C C 13 172.8 0.2 . 1 . . . . 23 THR C . 25557 1 111 . 1 1 23 23 THR CA C 13 60.4 0.2 . 1 . . . . 23 THR CA . 25557 1 112 . 1 1 23 23 THR CB C 13 70.7 0.2 . 1 . . . . 23 THR CB . 25557 1 113 . 1 1 23 23 THR N N 15 110.3 0.2 . 1 . . . . 23 THR N . 25557 1 114 . 1 1 24 24 GLN H H 1 8.47 0.02 . 1 . . . . 24 GLN H . 25557 1 115 . 1 1 24 24 GLN C C 13 175.7 0.2 . 1 . . . . 24 GLN C . 25557 1 116 . 1 1 24 24 GLN CA C 13 54.2 0.2 . 1 . . . . 24 GLN CA . 25557 1 117 . 1 1 24 24 GLN CB C 13 33.6 0.2 . 1 . . . . 24 GLN CB . 25557 1 118 . 1 1 24 24 GLN CG C 13 34.4 0.2 . 1 . . . . 24 GLN CG . 25557 1 119 . 1 1 24 24 GLN N N 15 117.6 0.2 . 1 . . . . 24 GLN N . 25557 1 120 . 1 1 25 25 THR H H 1 8.71 0.02 . 1 . . . . 25 THR H . 25557 1 121 . 1 1 25 25 THR C C 13 172.2 0.2 . 1 . . . . 25 THR C . 25557 1 122 . 1 1 25 25 THR CA C 13 59.9 0.2 . 1 . . . . 25 THR CA . 25557 1 123 . 1 1 25 25 THR CB C 13 69.5 0.2 . 1 . . . . 25 THR CB . 25557 1 124 . 1 1 25 25 THR N N 15 116.8 0.2 . 1 . . . . 25 THR N . 25557 1 125 . 1 1 26 26 THR H H 1 8.54 0.02 . 1 . . . . 26 THR H . 25557 1 126 . 1 1 26 26 THR C C 13 175.5 0.2 . 1 . . . . 26 THR C . 25557 1 127 . 1 1 26 26 THR CA C 13 59.7 0.2 . 1 . . . . 26 THR CA . 25557 1 128 . 1 1 26 26 THR CB C 13 73.4 0.2 . 1 . . . . 26 THR CB . 25557 1 129 . 1 1 26 26 THR N N 15 109.6 0.2 . 1 . . . . 26 THR N . 25557 1 130 . 1 1 27 27 LEU H H 1 10.31 0.02 . 1 . . . . 27 LEU H . 25557 1 131 . 1 1 27 27 LEU C C 13 181.4 0.2 . 1 . . . . 27 LEU C . 25557 1 132 . 1 1 27 27 LEU CA C 13 58.5 0.2 . 1 . . . . 27 LEU CA . 25557 1 133 . 1 1 27 27 LEU CB C 13 41.8 0.2 . 1 . . . . 27 LEU CB . 25557 1 134 . 1 1 27 27 LEU N N 15 120.2 0.2 . 1 . . . . 27 LEU N . 25557 1 135 . 1 1 28 28 ARG H H 1 9.03 0.02 . 1 . . . . 28 ARG H . 25557 1 136 . 1 1 28 28 ARG C C 13 178.7 0.2 . 1 . . . . 28 ARG C . 25557 1 137 . 1 1 28 28 ARG CA C 13 59.1 0.2 . 1 . . . . 28 ARG CA . 25557 1 138 . 1 1 28 28 ARG CB C 13 29.5 0.2 . 1 . . . . 28 ARG CB . 25557 1 139 . 1 1 28 28 ARG CD C 13 42.4 0.2 . 1 . . . . 28 ARG CD . 25557 1 140 . 1 1 28 28 ARG CG C 13 27.1 0.2 . 1 . . . . 28 ARG CG . 25557 1 141 . 1 1 28 28 ARG N N 15 121.6 0.2 . 1 . . . . 28 ARG N . 25557 1 142 . 1 1 29 29 ALA H H 1 7.94 0.02 . 1 . . . . 29 ALA H . 25557 1 143 . 1 1 29 29 ALA C C 13 178.6 0.2 . 1 . . . . 29 ALA C . 25557 1 144 . 1 1 29 29 ALA CA C 13 53.9 0.2 . 1 . . . . 29 ALA CA . 25557 1 145 . 1 1 29 29 ALA CB C 13 17.9 0.2 . 1 . . . . 29 ALA CB . 25557 1 146 . 1 1 29 29 ALA N N 15 120.6 0.2 . 1 . . . . 29 ALA N . 25557 1 147 . 1 1 30 30 HIS H H 1 7.76 0.02 . 1 . . . . 30 HIS H . 25557 1 148 . 1 1 30 30 HIS C C 13 173.1 0.2 . 1 . . . . 30 HIS C . 25557 1 149 . 1 1 30 30 HIS CA C 13 57.1 0.2 . 1 . . . . 30 HIS CA . 25557 1 150 . 1 1 30 30 HIS CB C 13 30.7 0.2 . 1 . . . . 30 HIS CB . 25557 1 151 . 1 1 30 30 HIS N N 15 116.4 0.2 . 1 . . . . 30 HIS N . 25557 1 152 . 1 1 31 31 ALA H H 1 7.43 0.02 . 1 . . . . 31 ALA H . 25557 1 153 . 1 1 31 31 ALA C C 13 178.8 0.2 . 1 . . . . 31 ALA C . 25557 1 154 . 1 1 31 31 ALA CA C 13 53.7 0.2 . 1 . . . . 31 ALA CA . 25557 1 155 . 1 1 31 31 ALA CB C 13 18.4 0.2 . 1 . . . . 31 ALA CB . 25557 1 156 . 1 1 31 31 ALA N N 15 122.7 0.2 . 1 . . . . 31 ALA N . 25557 1 157 . 1 1 32 32 GLY H H 1 8.97 0.02 . 1 . . . . 32 GLY H . 25557 1 158 . 1 1 32 32 GLY C C 13 173.9 0.2 . 1 . . . . 32 GLY C . 25557 1 159 . 1 1 32 32 GLY CA C 13 44.9 0.2 . 1 . . . . 32 GLY CA . 25557 1 160 . 1 1 32 32 GLY N N 15 109.5 0.2 . 1 . . . . 32 GLY N . 25557 1 161 . 1 1 33 33 HIS H H 1 7.97 0.02 . 1 . . . . 33 HIS H . 25557 1 162 . 1 1 33 33 HIS C C 13 173.1 0.2 . 1 . . . . 33 HIS C . 25557 1 163 . 1 1 33 33 HIS CA C 13 54.7 0.2 . 1 . . . . 33 HIS CA . 25557 1 164 . 1 1 33 33 HIS CB C 13 30.8 0.2 . 1 . . . . 33 HIS CB . 25557 1 165 . 1 1 33 33 HIS N N 15 116.7 0.2 . 1 . . . . 33 HIS N . 25557 1 166 . 1 1 34 34 TRP H H 1 8.18 0.02 . 1 . . . . 34 TRP H . 25557 1 167 . 1 1 34 34 TRP HE1 H 1 10.65 0.02 . 1 . . . . 34 TRP HE1 . 25557 1 168 . 1 1 34 34 TRP C C 13 176.0 0.2 . 1 . . . . 34 TRP C . 25557 1 169 . 1 1 34 34 TRP CA C 13 56.7 0.2 . 1 . . . . 34 TRP CA . 25557 1 170 . 1 1 34 34 TRP CB C 13 30.5 0.2 . 1 . . . . 34 TRP CB . 25557 1 171 . 1 1 34 34 TRP N N 15 119.6 0.2 . 1 . . . . 34 TRP N . 25557 1 172 . 1 1 34 34 TRP NE1 N 15 130.4 0.2 . 1 . . . . 34 TRP NE1 . 25557 1 173 . 1 1 35 35 LEU H H 1 9.32 0.02 . 1 . . . . 35 LEU H . 25557 1 174 . 1 1 35 35 LEU C C 13 174.6 0.2 . 1 . . . . 35 LEU C . 25557 1 175 . 1 1 35 35 LEU CA C 13 53.7 0.2 . 1 . . . . 35 LEU CA . 25557 1 176 . 1 1 35 35 LEU CB C 13 46.8 0.2 . 1 . . . . 35 LEU CB . 25557 1 177 . 1 1 35 35 LEU N N 15 123.9 0.2 . 1 . . . . 35 LEU N . 25557 1 178 . 1 1 36 36 VAL H H 1 8.90 0.02 . 1 . . . . 36 VAL H . 25557 1 179 . 1 1 36 36 VAL C C 13 173.9 0.2 . 1 . . . . 36 VAL C . 25557 1 180 . 1 1 36 36 VAL CA C 13 61.1 0.2 . 1 . . . . 36 VAL CA . 25557 1 181 . 1 1 36 36 VAL CB C 13 32.5 0.2 . 1 . . . . 36 VAL CB . 25557 1 182 . 1 1 36 36 VAL CG1 C 13 21.0 0.2 . 2 . . . . 36 VAL CG1 . 25557 1 183 . 1 1 36 36 VAL CG2 C 13 21.0 0.2 . 2 . . . . 36 VAL CG2 . 25557 1 184 . 1 1 36 36 VAL N N 15 127.2 0.2 . 1 . . . . 36 VAL N . 25557 1 185 . 1 1 37 37 ILE H H 1 8.82 0.02 . 1 . . . . 37 ILE H . 25557 1 186 . 1 1 37 37 ILE C C 13 174.3 0.2 . 1 . . . . 37 ILE C . 25557 1 187 . 1 1 37 37 ILE CA C 13 58.9 0.2 . 1 . . . . 37 ILE CA . 25557 1 188 . 1 1 37 37 ILE CB C 13 40.2 0.2 . 1 . . . . 37 ILE CB . 25557 1 189 . 1 1 37 37 ILE CG1 C 13 27.4 0.2 . 1 . . . . 37 ILE CG1 . 25557 1 190 . 1 1 37 37 ILE N N 15 125.3 0.2 . 1 . . . . 37 ILE N . 25557 1 191 . 1 1 38 38 TYR H H 1 8.93 0.02 . 1 . . . . 38 TYR H . 25557 1 192 . 1 1 38 38 TYR C C 13 171.7 0.2 . 1 . . . . 38 TYR C . 25557 1 193 . 1 1 38 38 TYR CA C 13 54.5 0.2 . 1 . . . . 38 TYR CA . 25557 1 194 . 1 1 38 38 TYR CB C 13 42.3 0.2 . 1 . . . . 38 TYR CB . 25557 1 195 . 1 1 38 38 TYR N N 15 128.8 0.2 . 1 . . . . 38 TYR N . 25557 1 196 . 1 1 39 39 PHE H H 1 10.02 0.02 . 1 . . . . 39 PHE H . 25557 1 197 . 1 1 39 39 PHE C C 13 175.8 0.2 . 1 . . . . 39 PHE C . 25557 1 198 . 1 1 39 39 PHE CA C 13 56.1 0.2 . 1 . . . . 39 PHE CA . 25557 1 199 . 1 1 39 39 PHE CB C 13 41.2 0.2 . 1 . . . . 39 PHE CB . 25557 1 200 . 1 1 39 39 PHE N N 15 122.4 0.2 . 1 . . . . 39 PHE N . 25557 1 201 . 1 1 40 40 TYR H H 1 9.61 0.02 . 1 . . . . 40 TYR H . 25557 1 202 . 1 1 40 40 TYR N N 15 122.6 0.2 . 1 . . . . 40 TYR N . 25557 1 203 . 1 1 41 41 PRO C C 13 178.7 0.2 . 1 . . . . 41 PRO C . 25557 1 204 . 1 1 42 42 LYS H H 1 9.61 0.02 . 1 . . . . 42 LYS H . 25557 1 205 . 1 1 42 42 LYS C C 13 173.2 0.2 . 1 . . . . 42 LYS C . 25557 1 206 . 1 1 42 42 LYS CA C 13 56.7 0.2 . 1 . . . . 42 LYS CA . 25557 1 207 . 1 1 42 42 LYS N N 15 122.6 0.2 . 1 . . . . 42 LYS N . 25557 1 208 . 1 1 43 43 ASP H H 1 9.01 0.02 . 1 . . . . 43 ASP H . 25557 1 209 . 1 1 43 43 ASP C C 13 176.4 0.2 . 1 . . . . 43 ASP C . 25557 1 210 . 1 1 43 43 ASP CA C 13 55.9 0.2 . 1 . . . . 43 ASP CA . 25557 1 211 . 1 1 43 43 ASP N N 15 126.8 0.2 . 1 . . . . 43 ASP N . 25557 1 212 . 1 1 47 47 GLY C C 13 175.3 0.2 . 1 . . . . 47 GLY C . 25557 1 213 . 1 1 47 47 GLY CA C 13 47.4 0.2 . 1 . . . . 47 GLY CA . 25557 1 214 . 1 1 48 48 CYS H H 1 7.43 0.02 . 1 . . . . 48 CYS H . 25557 1 215 . 1 1 48 48 CYS C C 13 180.6 0.2 . 1 . . . . 48 CYS C . 25557 1 216 . 1 1 48 48 CYS CA C 13 64.9 0.2 . 1 . . . . 48 CYS CA . 25557 1 217 . 1 1 48 48 CYS CB C 13 32.2 0.2 . 1 . . . . 48 CYS CB . 25557 1 218 . 1 1 48 48 CYS N N 15 124.8 0.2 . 1 . . . . 48 CYS N . 25557 1 219 . 1 1 49 49 THR H H 1 8.80 0.02 . 1 . . . . 49 THR H . 25557 1 220 . 1 1 49 49 THR C C 13 174.8 0.2 . 1 . . . . 49 THR C . 25557 1 221 . 1 1 49 49 THR CA C 13 68.4 0.2 . 1 . . . . 49 THR CA . 25557 1 222 . 1 1 49 49 THR N N 15 119.4 0.2 . 1 . . . . 49 THR N . 25557 1 223 . 1 1 50 50 THR H H 1 8.23 0.02 . 1 . . . . 50 THR H . 25557 1 224 . 1 1 50 50 THR C C 13 174.9 0.2 . 1 . . . . 50 THR C . 25557 1 225 . 1 1 50 50 THR N N 15 118.7 0.2 . 1 . . . . 50 THR N . 25557 1 226 . 1 1 51 51 GLU H H 1 8.40 0.02 . 1 . . . . 51 GLU H . 25557 1 227 . 1 1 51 51 GLU C C 13 177.5 0.2 . 1 . . . . 51 GLU C . 25557 1 228 . 1 1 51 51 GLU CA C 13 59.5 0.2 . 1 . . . . 51 GLU CA . 25557 1 229 . 1 1 51 51 GLU CB C 13 28.4 0.2 . 1 . . . . 51 GLU CB . 25557 1 230 . 1 1 51 51 GLU N N 15 119.1 0.2 . 1 . . . . 51 GLU N . 25557 1 231 . 1 1 52 52 GLY H H 1 7.71 0.02 . 1 . . . . 52 GLY H . 25557 1 232 . 1 1 52 52 GLY C C 13 176.0 0.2 . 1 . . . . 52 GLY C . 25557 1 233 . 1 1 52 52 GLY CA C 13 48.1 0.2 . 1 . . . . 52 GLY CA . 25557 1 234 . 1 1 52 52 GLY N N 15 103.3 0.2 . 1 . . . . 52 GLY N . 25557 1 235 . 1 1 53 53 LEU H H 1 8.83 0.02 . 1 . . . . 53 LEU H . 25557 1 236 . 1 1 53 53 LEU C C 13 180.2 0.2 . 1 . . . . 53 LEU C . 25557 1 237 . 1 1 53 53 LEU CA C 13 58.0 0.2 . 1 . . . . 53 LEU CA . 25557 1 238 . 1 1 53 53 LEU CB C 13 42.1 0.2 . 1 . . . . 53 LEU CB . 25557 1 239 . 1 1 53 53 LEU N N 15 122.3 0.2 . 1 . . . . 53 LEU N . 25557 1 240 . 1 1 54 54 ASP H H 1 8.65 0.02 . 1 . . . . 54 ASP H . 25557 1 241 . 1 1 54 54 ASP C C 13 179.9 0.2 . 1 . . . . 54 ASP C . 25557 1 242 . 1 1 54 54 ASP CA C 13 56.8 0.2 . 1 . . . . 54 ASP CA . 25557 1 243 . 1 1 54 54 ASP CB C 13 39.6 0.2 . 1 . . . . 54 ASP CB . 25557 1 244 . 1 1 54 54 ASP N N 15 123.2 0.2 . 1 . . . . 54 ASP N . 25557 1 245 . 1 1 55 55 PHE H H 1 7.74 0.02 . 1 . . . . 55 PHE H . 25557 1 246 . 1 1 55 55 PHE C C 13 178.2 0.2 . 1 . . . . 55 PHE C . 25557 1 247 . 1 1 55 55 PHE CA C 13 63.9 0.2 . 1 . . . . 55 PHE CA . 25557 1 248 . 1 1 55 55 PHE CB C 13 38.5 0.2 . 1 . . . . 55 PHE CB . 25557 1 249 . 1 1 55 55 PHE N N 15 117.6 0.2 . 1 . . . . 55 PHE N . 25557 1 250 . 1 1 56 56 ASN H H 1 8.89 0.02 . 1 . . . . 56 ASN H . 25557 1 251 . 1 1 56 56 ASN C C 13 179.0 0.2 . 1 . . . . 56 ASN C . 25557 1 252 . 1 1 56 56 ASN CA C 13 57.0 0.2 . 1 . . . . 56 ASN CA . 25557 1 253 . 1 1 56 56 ASN CB C 13 40.3 0.2 . 1 . . . . 56 ASN CB . 25557 1 254 . 1 1 56 56 ASN N N 15 116.5 0.2 . 1 . . . . 56 ASN N . 25557 1 255 . 1 1 57 57 ALA H H 1 8.39 0.02 . 1 . . . . 57 ALA H . 25557 1 256 . 1 1 57 57 ALA C C 13 179.5 0.2 . 1 . . . . 57 ALA C . 25557 1 257 . 1 1 57 57 ALA CA C 13 54.3 0.2 . 1 . . . . 57 ALA CA . 25557 1 258 . 1 1 57 57 ALA CB C 13 18.4 0.2 . 1 . . . . 57 ALA CB . 25557 1 259 . 1 1 57 57 ALA N N 15 119.4 0.2 . 1 . . . . 57 ALA N . 25557 1 260 . 1 1 58 58 LEU H H 1 7.27 0.02 . 1 . . . . 58 LEU H . 25557 1 261 . 1 1 58 58 LEU C C 13 177.7 0.2 . 1 . . . . 58 LEU C . 25557 1 262 . 1 1 58 58 LEU CA C 13 53.8 0.2 . 1 . . . . 58 LEU CA . 25557 1 263 . 1 1 58 58 LEU CB C 13 44.4 0.2 . 1 . . . . 58 LEU CB . 25557 1 264 . 1 1 58 58 LEU N N 15 114.9 0.2 . 1 . . . . 58 LEU N . 25557 1 265 . 1 1 59 59 LEU H H 1 7.77 0.02 . 1 . . . . 59 LEU H . 25557 1 266 . 1 1 59 59 LEU C C 13 174.6 0.2 . 1 . . . . 59 LEU C . 25557 1 267 . 1 1 59 59 LEU CA C 13 60.5 0.2 . 1 . . . . 59 LEU CA . 25557 1 268 . 1 1 59 59 LEU CB C 13 40.2 0.2 . 1 . . . . 59 LEU CB . 25557 1 269 . 1 1 59 59 LEU N N 15 125.3 0.2 . 1 . . . . 59 LEU N . 25557 1 270 . 1 1 60 60 PRO C C 13 180.2 0.2 . 1 . . . . 60 PRO C . 25557 1 271 . 1 1 60 60 PRO CA C 13 66.3 0.2 . 1 . . . . 60 PRO CA . 25557 1 272 . 1 1 60 60 PRO CB C 13 31.3 0.2 . 1 . . . . 60 PRO CB . 25557 1 273 . 1 1 60 60 PRO CG C 13 28.6 0.2 . 1 . . . . 60 PRO CG . 25557 1 274 . 1 1 61 61 GLU H H 1 7.71 0.02 . 1 . . . . 61 GLU H . 25557 1 275 . 1 1 61 61 GLU C C 13 180.2 0.2 . 1 . . . . 61 GLU C . 25557 1 276 . 1 1 61 61 GLU CA C 13 58.3 0.2 . 1 . . . . 61 GLU CA . 25557 1 277 . 1 1 61 61 GLU CB C 13 29.8 0.2 . 1 . . . . 61 GLU CB . 25557 1 278 . 1 1 61 61 GLU CG C 13 35.6 0.2 . 1 . . . . 61 GLU CG . 25557 1 279 . 1 1 61 61 GLU N N 15 115.7 0.2 . 1 . . . . 61 GLU N . 25557 1 280 . 1 1 62 62 PHE H H 1 8.30 0.02 . 1 . . . . 62 PHE H . 25557 1 281 . 1 1 62 62 PHE C C 13 178.1 0.2 . 1 . . . . 62 PHE C . 25557 1 282 . 1 1 62 62 PHE CA C 13 64.0 0.2 . 1 . . . . 62 PHE CA . 25557 1 283 . 1 1 62 62 PHE CB C 13 38.4 0.2 . 1 . . . . 62 PHE CB . 25557 1 284 . 1 1 62 62 PHE N N 15 120.8 0.2 . 1 . . . . 62 PHE N . 25557 1 285 . 1 1 63 63 ASP H H 1 9.20 0.02 . 1 . . . . 63 ASP H . 25557 1 286 . 1 1 63 63 ASP C C 13 180.7 0.2 . 1 . . . . 63 ASP C . 25557 1 287 . 1 1 63 63 ASP CA C 13 57.7 0.2 . 1 . . . . 63 ASP CA . 25557 1 288 . 1 1 63 63 ASP CB C 13 41.3 0.2 . 1 . . . . 63 ASP CB . 25557 1 289 . 1 1 63 63 ASP N N 15 119.6 0.2 . 1 . . . . 63 ASP N . 25557 1 290 . 1 1 64 64 LYS H H 1 7.79 0.02 . 1 . . . . 64 LYS H . 25557 1 291 . 1 1 64 64 LYS C C 13 177.7 0.2 . 1 . . . . 64 LYS C . 25557 1 292 . 1 1 64 64 LYS CA C 13 59.3 0.2 . 1 . . . . 64 LYS CA . 25557 1 293 . 1 1 64 64 LYS CB C 13 32.6 0.2 . 1 . . . . 64 LYS CB . 25557 1 294 . 1 1 64 64 LYS CD C 13 29.4 0.2 . 1 . . . . 64 LYS CD . 25557 1 295 . 1 1 64 64 LYS CG C 13 25.1 0.2 . 1 . . . . 64 LYS CG . 25557 1 296 . 1 1 64 64 LYS N N 15 120.4 0.2 . 1 . . . . 64 LYS N . 25557 1 297 . 1 1 65 65 ALA H H 1 7.40 0.02 . 1 . . . . 65 ALA H . 25557 1 298 . 1 1 65 65 ALA C C 13 176.5 0.2 . 1 . . . . 65 ALA C . 25557 1 299 . 1 1 65 65 ALA CA C 13 52.0 0.2 . 1 . . . . 65 ALA CA . 25557 1 300 . 1 1 65 65 ALA CB C 13 18.5 0.2 . 1 . . . . 65 ALA CB . 25557 1 301 . 1 1 65 65 ALA N N 15 119.2 0.2 . 1 . . . . 65 ALA N . 25557 1 302 . 1 1 66 66 GLY H H 1 7.96 0.02 . 1 . . . . 66 GLY H . 25557 1 303 . 1 1 66 66 GLY C C 13 174.4 0.2 . 1 . . . . 66 GLY C . 25557 1 304 . 1 1 66 66 GLY CA C 13 46.1 0.2 . 1 . . . . 66 GLY CA . 25557 1 305 . 1 1 66 66 GLY N N 15 105.5 0.2 . 1 . . . . 66 GLY N . 25557 1 306 . 1 1 67 67 ALA H H 1 8.44 0.02 . 1 . . . . 67 ALA H . 25557 1 307 . 1 1 67 67 ALA C C 13 176.8 0.2 . 1 . . . . 67 ALA C . 25557 1 308 . 1 1 67 67 ALA CA C 13 49.8 0.2 . 1 . . . . 67 ALA CA . 25557 1 309 . 1 1 67 67 ALA CB C 13 24.7 0.2 . 1 . . . . 67 ALA CB . 25557 1 310 . 1 1 67 67 ALA N N 15 121.5 0.2 . 1 . . . . 67 ALA N . 25557 1 311 . 1 1 68 68 LYS H H 1 8.17 0.02 . 1 . . . . 68 LYS H . 25557 1 312 . 1 1 68 68 LYS C C 13 173.9 0.2 . 1 . . . . 68 LYS C . 25557 1 313 . 1 1 68 68 LYS CA C 13 53.5 0.2 . 1 . . . . 68 LYS CA . 25557 1 314 . 1 1 68 68 LYS CB C 13 34.6 0.2 . 1 . . . . 68 LYS CB . 25557 1 315 . 1 1 68 68 LYS N N 15 119.1 0.2 . 1 . . . . 68 LYS N . 25557 1 316 . 1 1 69 69 ILE H H 1 8.05 0.02 . 1 . . . . 69 ILE H . 25557 1 317 . 1 1 69 69 ILE C C 13 174.9 0.2 . 1 . . . . 69 ILE C . 25557 1 318 . 1 1 69 69 ILE CA C 13 59.5 0.2 . 1 . . . . 69 ILE CA . 25557 1 319 . 1 1 69 69 ILE CB C 13 40.2 0.2 . 1 . . . . 69 ILE CB . 25557 1 320 . 1 1 69 69 ILE CG1 C 13 26.9 0.2 . 1 . . . . 69 ILE CG1 . 25557 1 321 . 1 1 69 69 ILE N N 15 119.3 0.2 . 1 . . . . 69 ILE N . 25557 1 322 . 1 1 70 70 LEU H H 1 8.43 0.02 . 1 . . . . 70 LEU H . 25557 1 323 . 1 1 70 70 LEU C C 13 175.1 0.2 . 1 . . . . 70 LEU C . 25557 1 324 . 1 1 70 70 LEU CA C 13 53.9 0.2 . 1 . . . . 70 LEU CA . 25557 1 325 . 1 1 70 70 LEU CB C 13 46.5 0.2 . 1 . . . . 70 LEU CB . 25557 1 326 . 1 1 70 70 LEU N N 15 124.1 0.2 . 1 . . . . 70 LEU N . 25557 1 327 . 1 1 71 71 GLY H H 1 7.48 0.02 . 1 . . . . 71 GLY H . 25557 1 328 . 1 1 71 71 GLY C C 13 173.4 0.2 . 1 . . . . 71 GLY C . 25557 1 329 . 1 1 71 71 GLY CA C 13 43.6 0.2 . 1 . . . . 71 GLY CA . 25557 1 330 . 1 1 71 71 GLY N N 15 106.8 0.2 . 1 . . . . 71 GLY N . 25557 1 331 . 1 1 72 72 VAL H H 1 8.89 0.02 . 1 . . . . 72 VAL H . 25557 1 332 . 1 1 72 72 VAL C C 13 174.0 0.2 . 1 . . . . 72 VAL C . 25557 1 333 . 1 1 72 72 VAL CA C 13 61.8 0.2 . 1 . . . . 72 VAL CA . 25557 1 334 . 1 1 72 72 VAL CB C 13 34.8 0.2 . 1 . . . . 72 VAL CB . 25557 1 335 . 1 1 72 72 VAL CG1 C 13 22.3 0.2 . 2 . . . . 72 VAL CG1 . 25557 1 336 . 1 1 72 72 VAL CG2 C 13 19.3 0.2 . 2 . . . . 72 VAL CG2 . 25557 1 337 . 1 1 72 72 VAL N N 15 122.4 0.2 . 1 . . . . 72 VAL N . 25557 1 338 . 1 1 73 73 SER H H 1 7.76 0.02 . 1 . . . . 73 SER H . 25557 1 339 . 1 1 73 73 SER C C 13 173.4 0.2 . 1 . . . . 73 SER C . 25557 1 340 . 1 1 73 73 SER CA C 13 56.9 0.2 . 1 . . . . 73 SER CA . 25557 1 341 . 1 1 73 73 SER CB C 13 66.2 0.2 . 1 . . . . 73 SER CB . 25557 1 342 . 1 1 73 73 SER N N 15 117.8 0.2 . 1 . . . . 73 SER N . 25557 1 343 . 1 1 74 74 ARG H H 1 8.19 0.02 . 1 . . . . 74 ARG H . 25557 1 344 . 1 1 74 74 ARG C C 13 175.2 0.2 . 1 . . . . 74 ARG C . 25557 1 345 . 1 1 74 74 ARG CA C 13 56.1 0.2 . 1 . . . . 74 ARG CA . 25557 1 346 . 1 1 74 74 ARG CB C 13 30.0 0.2 . 1 . . . . 74 ARG CB . 25557 1 347 . 1 1 74 74 ARG CG C 13 26.4 0.2 . 1 . . . . 74 ARG CG . 25557 1 348 . 1 1 74 74 ARG N N 15 116.4 0.2 . 1 . . . . 74 ARG N . 25557 1 349 . 1 1 75 75 ASP H H 1 7.93 0.02 . 1 . . . . 75 ASP H . 25557 1 350 . 1 1 75 75 ASP C C 13 174.7 0.2 . 1 . . . . 75 ASP C . 25557 1 351 . 1 1 75 75 ASP CA C 13 55.2 0.2 . 1 . . . . 75 ASP CA . 25557 1 352 . 1 1 75 75 ASP CB C 13 43.7 0.2 . 1 . . . . 75 ASP CB . 25557 1 353 . 1 1 75 75 ASP N N 15 117.2 0.2 . 1 . . . . 75 ASP N . 25557 1 354 . 1 1 76 76 SER H H 1 8.46 0.02 . 1 . . . . 76 SER H . 25557 1 355 . 1 1 76 76 SER C C 13 173.6 0.2 . 1 . . . . 76 SER C . 25557 1 356 . 1 1 76 76 SER CA C 13 57.6 0.2 . 1 . . . . 76 SER CA . 25557 1 357 . 1 1 76 76 SER CB C 13 65.3 0.2 . 1 . . . . 76 SER CB . 25557 1 358 . 1 1 76 76 SER N N 15 115.1 0.2 . 1 . . . . 76 SER N . 25557 1 359 . 1 1 77 77 VAL H H 1 8.76 0.02 . 1 . . . . 77 VAL H . 25557 1 360 . 1 1 77 77 VAL C C 13 177.4 0.2 . 1 . . . . 77 VAL C . 25557 1 361 . 1 1 77 77 VAL CA C 13 68.4 0.2 . 1 . . . . 77 VAL CA . 25557 1 362 . 1 1 77 77 VAL CB C 13 31.7 0.2 . 1 . . . . 77 VAL CB . 25557 1 363 . 1 1 77 77 VAL N N 15 121.1 0.2 . 1 . . . . 77 VAL N . 25557 1 364 . 1 1 78 78 LYS H H 1 8.25 0.02 . 1 . . . . 78 LYS H . 25557 1 365 . 1 1 78 78 LYS C C 13 179.3 0.2 . 1 . . . . 78 LYS C . 25557 1 366 . 1 1 78 78 LYS CA C 13 59.7 0.2 . 1 . . . . 78 LYS CA . 25557 1 367 . 1 1 78 78 LYS CB C 13 32.0 0.2 . 1 . . . . 78 LYS CB . 25557 1 368 . 1 1 78 78 LYS CD C 13 29.0 0.2 . 1 . . . . 78 LYS CD . 25557 1 369 . 1 1 78 78 LYS CG C 13 24.7 0.2 . 1 . . . . 78 LYS CG . 25557 1 370 . 1 1 78 78 LYS N N 15 118.8 0.2 . 1 . . . . 78 LYS N . 25557 1 371 . 1 1 79 79 SER H H 1 8.05 0.02 . 1 . . . . 79 SER H . 25557 1 372 . 1 1 79 79 SER C C 13 179.1 0.2 . 1 . . . . 79 SER C . 25557 1 373 . 1 1 79 79 SER CA C 13 61.2 0.2 . 1 . . . . 79 SER CA . 25557 1 374 . 1 1 79 79 SER CB C 13 62.8 0.2 . 1 . . . . 79 SER CB . 25557 1 375 . 1 1 79 79 SER N N 15 114.5 0.2 . 1 . . . . 79 SER N . 25557 1 376 . 1 1 80 80 HIS H H 1 8.96 0.02 . 1 . . . . 80 HIS H . 25557 1 377 . 1 1 80 80 HIS C C 13 176.9 0.2 . 1 . . . . 80 HIS C . 25557 1 378 . 1 1 80 80 HIS CA C 13 56.4 0.2 . 1 . . . . 80 HIS CA . 25557 1 379 . 1 1 80 80 HIS CB C 13 28.7 0.2 . 1 . . . . 80 HIS CB . 25557 1 380 . 1 1 80 80 HIS N N 15 118.5 0.2 . 1 . . . . 80 HIS N . 25557 1 381 . 1 1 81 81 ASP H H 1 9.77 0.02 . 1 . . . . 81 ASP H . 25557 1 382 . 1 1 81 81 ASP C C 13 179.6 0.2 . 1 . . . . 81 ASP C . 25557 1 383 . 1 1 81 81 ASP CA C 13 58.0 0.2 . 1 . . . . 81 ASP CA . 25557 1 384 . 1 1 81 81 ASP CB C 13 39.6 0.2 . 1 . . . . 81 ASP CB . 25557 1 385 . 1 1 81 81 ASP N N 15 122.9 0.2 . 1 . . . . 81 ASP N . 25557 1 386 . 1 1 82 82 ASN H H 1 7.99 0.02 . 1 . . . . 82 ASN H . 25557 1 387 . 1 1 82 82 ASN C C 13 176.4 0.2 . 1 . . . . 82 ASN C . 25557 1 388 . 1 1 82 82 ASN CA C 13 56.8 0.2 . 1 . . . . 82 ASN CA . 25557 1 389 . 1 1 82 82 ASN CB C 13 38.8 0.2 . 1 . . . . 82 ASN CB . 25557 1 390 . 1 1 82 82 ASN N N 15 120.3 0.2 . 1 . . . . 82 ASN N . 25557 1 391 . 1 1 83 83 PHE H H 1 8.51 0.02 . 1 . . . . 83 PHE H . 25557 1 392 . 1 1 83 83 PHE C C 13 177.2 0.2 . 1 . . . . 83 PHE C . 25557 1 393 . 1 1 83 83 PHE CA C 13 56.9 0.2 . 1 . . . . 83 PHE CA . 25557 1 394 . 1 1 83 83 PHE CB C 13 40.1 0.2 . 1 . . . . 83 PHE CB . 25557 1 395 . 1 1 83 83 PHE N N 15 122.3 0.2 . 1 . . . . 83 PHE N . 25557 1 396 . 1 1 84 84 CYS H H 1 9.13 0.02 . 1 . . . . 84 CYS H . 25557 1 397 . 1 1 84 84 CYS C C 13 177.7 0.2 . 1 . . . . 84 CYS C . 25557 1 398 . 1 1 84 84 CYS CA C 13 63.9 0.2 . 1 . . . . 84 CYS CA . 25557 1 399 . 1 1 84 84 CYS CB C 13 26.9 0.2 . 1 . . . . 84 CYS CB . 25557 1 400 . 1 1 84 84 CYS N N 15 114.5 0.2 . 1 . . . . 84 CYS N . 25557 1 401 . 1 1 85 85 ALA H H 1 8.01 0.02 . 1 . . . . 85 ALA H . 25557 1 402 . 1 1 85 85 ALA C C 13 180.2 0.2 . 1 . . . . 85 ALA C . 25557 1 403 . 1 1 85 85 ALA CA C 13 54.7 0.2 . 1 . . . . 85 ALA CA . 25557 1 404 . 1 1 85 85 ALA CB C 13 18.3 0.2 . 1 . . . . 85 ALA CB . 25557 1 405 . 1 1 85 85 ALA N N 15 121.2 0.2 . 1 . . . . 85 ALA N . 25557 1 406 . 1 1 86 86 LYS H H 1 8.12 0.02 . 1 . . . . 86 LYS H . 25557 1 407 . 1 1 86 86 LYS C C 13 178.6 0.2 . 1 . . . . 86 LYS C . 25557 1 408 . 1 1 86 86 LYS CA C 13 58.2 0.2 . 1 . . . . 86 LYS CA . 25557 1 409 . 1 1 86 86 LYS CB C 13 32.5 0.2 . 1 . . . . 86 LYS CB . 25557 1 410 . 1 1 86 86 LYS CD C 13 28.3 0.2 . 1 . . . . 86 LYS CD . 25557 1 411 . 1 1 86 86 LYS CG C 13 24.9 0.2 . 1 . . . . 86 LYS CG . 25557 1 412 . 1 1 86 86 LYS N N 15 117.1 0.2 . 1 . . . . 86 LYS N . 25557 1 413 . 1 1 87 87 GLN H H 1 7.32 0.02 . 1 . . . . 87 GLN H . 25557 1 414 . 1 1 87 87 GLN C C 13 176.1 0.2 . 1 . . . . 87 GLN C . 25557 1 415 . 1 1 87 87 GLN CA C 13 53.8 0.2 . 1 . . . . 87 GLN CA . 25557 1 416 . 1 1 87 87 GLN CB C 13 27.8 0.2 . 1 . . . . 87 GLN CB . 25557 1 417 . 1 1 87 87 GLN CG C 13 33.1 0.2 . 1 . . . . 87 GLN CG . 25557 1 418 . 1 1 87 87 GLN N N 15 111.4 0.2 . 1 . . . . 87 GLN N . 25557 1 419 . 1 1 88 88 GLY H H 1 7.60 0.02 . 1 . . . . 88 GLY H . 25557 1 420 . 1 1 88 88 GLY C C 13 175.7 0.2 . 1 . . . . 88 GLY C . 25557 1 421 . 1 1 88 88 GLY CA C 13 46.0 0.2 . 1 . . . . 88 GLY CA . 25557 1 422 . 1 1 88 88 GLY N N 15 106.7 0.2 . 1 . . . . 88 GLY N . 25557 1 423 . 1 1 89 89 PHE H H 1 6.64 0.02 . 1 . . . . 89 PHE H . 25557 1 424 . 1 1 89 89 PHE C C 13 177.3 0.2 . 1 . . . . 89 PHE C . 25557 1 425 . 1 1 89 89 PHE CA C 13 55.0 0.2 . 1 . . . . 89 PHE CA . 25557 1 426 . 1 1 89 89 PHE CB C 13 37.3 0.2 . 1 . . . . 89 PHE CB . 25557 1 427 . 1 1 89 89 PHE N N 15 116.1 0.2 . 1 . . . . 89 PHE N . 25557 1 428 . 1 1 90 90 ALA H H 1 9.18 0.02 . 1 . . . . 90 ALA H . 25557 1 429 . 1 1 90 90 ALA C C 13 175.1 0.2 . 1 . . . . 90 ALA C . 25557 1 430 . 1 1 90 90 ALA CA C 13 51.1 0.2 . 1 . . . . 90 ALA CA . 25557 1 431 . 1 1 90 90 ALA CB C 13 18.9 0.2 . 1 . . . . 90 ALA CB . 25557 1 432 . 1 1 90 90 ALA N N 15 125.8 0.2 . 1 . . . . 90 ALA N . 25557 1 433 . 1 1 91 91 PHE H H 1 6.63 0.02 . 1 . . . . 91 PHE H . 25557 1 434 . 1 1 91 91 PHE C C 13 171.3 0.2 . 1 . . . . 91 PHE C . 25557 1 435 . 1 1 91 91 PHE CA C 13 53.1 0.2 . 1 . . . . 91 PHE CA . 25557 1 436 . 1 1 91 91 PHE CB C 13 39.0 0.2 . 1 . . . . 91 PHE CB . 25557 1 437 . 1 1 91 91 PHE N N 15 117.0 0.2 . 1 . . . . 91 PHE N . 25557 1 438 . 1 1 92 92 PRO C C 13 174.5 0.2 . 1 . . . . 92 PRO C . 25557 1 439 . 1 1 92 92 PRO CA C 13 61.7 0.2 . 1 . . . . 92 PRO CA . 25557 1 440 . 1 1 92 92 PRO CB C 13 33.4 0.2 . 1 . . . . 92 PRO CB . 25557 1 441 . 1 1 93 93 LEU H H 1 7.72 0.02 . 1 . . . . 93 LEU H . 25557 1 442 . 1 1 93 93 LEU C C 13 177.3 0.2 . 1 . . . . 93 LEU C . 25557 1 443 . 1 1 93 93 LEU CA C 13 51.2 0.2 . 1 . . . . 93 LEU CA . 25557 1 444 . 1 1 93 93 LEU CB C 13 44.1 0.2 . 1 . . . . 93 LEU CB . 25557 1 445 . 1 1 93 93 LEU N N 15 114.6 0.2 . 1 . . . . 93 LEU N . 25557 1 446 . 1 1 94 94 VAL H H 1 9.99 0.02 . 1 . . . . 94 VAL H . 25557 1 447 . 1 1 94 94 VAL C C 13 179.6 0.2 . 1 . . . . 94 VAL C . 25557 1 448 . 1 1 94 94 VAL CA C 13 61.3 0.2 . 1 . . . . 94 VAL CA . 25557 1 449 . 1 1 94 94 VAL CB C 13 33.4 0.2 . 1 . . . . 94 VAL CB . 25557 1 450 . 1 1 94 94 VAL CG1 C 13 21.9 0.2 . 2 . . . . 94 VAL CG1 . 25557 1 451 . 1 1 94 94 VAL CG2 C 13 21.9 0.2 . 2 . . . . 94 VAL CG2 . 25557 1 452 . 1 1 94 94 VAL N N 15 122.9 0.2 . 1 . . . . 94 VAL N . 25557 1 453 . 1 1 95 95 SER H H 1 9.64 0.02 . 1 . . . . 95 SER H . 25557 1 454 . 1 1 95 95 SER C C 13 172.8 0.2 . 1 . . . . 95 SER C . 25557 1 455 . 1 1 95 95 SER CA C 13 56.1 0.2 . 1 . . . . 95 SER CA . 25557 1 456 . 1 1 95 95 SER CB C 13 63.0 0.2 . 1 . . . . 95 SER CB . 25557 1 457 . 1 1 95 95 SER N N 15 126.2 0.2 . 1 . . . . 95 SER N . 25557 1 458 . 1 1 96 96 ASP H H 1 9.08 0.02 . 1 . . . . 96 ASP H . 25557 1 459 . 1 1 96 96 ASP C C 13 178.2 0.2 . 1 . . . . 96 ASP C . 25557 1 460 . 1 1 96 96 ASP CA C 13 52.3 0.2 . 1 . . . . 96 ASP CA . 25557 1 461 . 1 1 96 96 ASP CB C 13 42.1 0.2 . 1 . . . . 96 ASP CB . 25557 1 462 . 1 1 96 96 ASP N N 15 133.1 0.2 . 1 . . . . 96 ASP N . 25557 1 463 . 1 1 97 97 GLY H H 1 7.88 0.02 . 1 . . . . 97 GLY H . 25557 1 464 . 1 1 97 97 GLY C C 13 174.9 0.2 . 1 . . . . 97 GLY C . 25557 1 465 . 1 1 97 97 GLY CA C 13 48.0 0.2 . 1 . . . . 97 GLY CA . 25557 1 466 . 1 1 97 97 GLY N N 15 108.1 0.2 . 1 . . . . 97 GLY N . 25557 1 467 . 1 1 98 98 ASP H H 1 8.27 0.02 . 1 . . . . 98 ASP H . 25557 1 468 . 1 1 98 98 ASP C C 13 176.3 0.2 . 1 . . . . 98 ASP C . 25557 1 469 . 1 1 98 98 ASP CA C 13 52.8 0.2 . 1 . . . . 98 ASP CA . 25557 1 470 . 1 1 98 98 ASP CB C 13 40.1 0.2 . 1 . . . . 98 ASP CB . 25557 1 471 . 1 1 98 98 ASP N N 15 117.0 0.2 . 1 . . . . 98 ASP N . 25557 1 472 . 1 1 99 99 GLU H H 1 7.94 0.02 . 1 . . . . 99 GLU H . 25557 1 473 . 1 1 99 99 GLU C C 13 174.8 0.2 . 1 . . . . 99 GLU C . 25557 1 474 . 1 1 99 99 GLU CA C 13 57.7 0.2 . 1 . . . . 99 GLU CA . 25557 1 475 . 1 1 99 99 GLU CB C 13 27.3 0.2 . 1 . . . . 99 GLU CB . 25557 1 476 . 1 1 99 99 GLU CG C 13 37.2 0.2 . 1 . . . . 99 GLU CG . 25557 1 477 . 1 1 99 99 GLU N N 15 112.2 0.2 . 1 . . . . 99 GLU N . 25557 1 478 . 1 1 100 100 ALA H H 1 7.75 0.02 . 1 . . . . 100 ALA H . 25557 1 479 . 1 1 100 100 ALA C C 13 181.3 0.2 . 1 . . . . 100 ALA C . 25557 1 480 . 1 1 100 100 ALA CA C 13 56.3 0.2 . 1 . . . . 100 ALA CA . 25557 1 481 . 1 1 100 100 ALA CB C 13 20.0 0.2 . 1 . . . . 100 ALA CB . 25557 1 482 . 1 1 100 100 ALA N N 15 122.9 0.2 . 1 . . . . 100 ALA N . 25557 1 483 . 1 1 101 101 LEU H H 1 10.60 0.02 . 1 . . . . 101 LEU H . 25557 1 484 . 1 1 101 101 LEU C C 13 179.9 0.2 . 1 . . . . 101 LEU C . 25557 1 485 . 1 1 101 101 LEU CA C 13 57.8 0.2 . 1 . . . . 101 LEU CA . 25557 1 486 . 1 1 101 101 LEU CB C 13 41.8 0.2 . 1 . . . . 101 LEU CB . 25557 1 487 . 1 1 101 101 LEU N N 15 123.8 0.2 . 1 . . . . 101 LEU N . 25557 1 488 . 1 1 102 102 CYS H H 1 10.10 0.02 . 1 . . . . 102 CYS H . 25557 1 489 . 1 1 102 102 CYS C C 13 178.2 0.2 . 1 . . . . 102 CYS C . 25557 1 490 . 1 1 102 102 CYS CA C 13 63.3 0.2 . 1 . . . . 102 CYS CA . 25557 1 491 . 1 1 102 102 CYS CB C 13 27.6 0.2 . 1 . . . . 102 CYS CB . 25557 1 492 . 1 1 102 102 CYS N N 15 119.9 0.2 . 1 . . . . 102 CYS N . 25557 1 493 . 1 1 103 103 ARG H H 1 8.67 0.02 . 1 . . . . 103 ARG H . 25557 1 494 . 1 1 103 103 ARG C C 13 179.7 0.2 . 1 . . . . 103 ARG C . 25557 1 495 . 1 1 103 103 ARG CA C 13 59.2 0.2 . 1 . . . . 103 ARG CA . 25557 1 496 . 1 1 103 103 ARG CB C 13 30.0 0.2 . 1 . . . . 103 ARG CB . 25557 1 497 . 1 1 103 103 ARG CD C 13 43.2 0.2 . 1 . . . . 103 ARG CD . 25557 1 498 . 1 1 103 103 ARG CG C 13 28.8 0.2 . 1 . . . . 103 ARG CG . 25557 1 499 . 1 1 103 103 ARG N N 15 117.0 0.2 . 1 . . . . 103 ARG N . 25557 1 500 . 1 1 104 104 ALA H H 1 7.69 0.02 . 1 . . . . 104 ALA H . 25557 1 501 . 1 1 104 104 ALA C C 13 178.0 0.2 . 1 . . . . 104 ALA C . 25557 1 502 . 1 1 104 104 ALA CA C 13 55.4 0.2 . 1 . . . . 104 ALA CA . 25557 1 503 . 1 1 104 104 ALA CB C 13 18.4 0.2 . 1 . . . . 104 ALA CB . 25557 1 504 . 1 1 104 104 ALA N N 15 123.9 0.2 . 1 . . . . 104 ALA N . 25557 1 505 . 1 1 105 105 PHE H H 1 7.58 0.02 . 1 . . . . 105 PHE H . 25557 1 506 . 1 1 105 105 PHE C C 13 174.0 0.2 . 1 . . . . 105 PHE C . 25557 1 507 . 1 1 105 105 PHE CA C 13 58.8 0.2 . 1 . . . . 105 PHE CA . 25557 1 508 . 1 1 105 105 PHE CB C 13 39.2 0.2 . 1 . . . . 105 PHE CB . 25557 1 509 . 1 1 105 105 PHE N N 15 111.8 0.2 . 1 . . . . 105 PHE N . 25557 1 510 . 1 1 106 106 ASP H H 1 7.76 0.02 . 1 . . . . 106 ASP H . 25557 1 511 . 1 1 106 106 ASP C C 13 175.6 0.2 . 1 . . . . 106 ASP C . 25557 1 512 . 1 1 106 106 ASP N N 15 121.2 0.2 . 1 . . . . 106 ASP N . 25557 1 513 . 1 1 107 107 VAL H H 1 7.59 0.02 . 1 . . . . 107 VAL H . 25557 1 514 . 1 1 107 107 VAL C C 13 175.3 0.2 . 1 . . . . 107 VAL C . 25557 1 515 . 1 1 107 107 VAL CA C 13 60.5 0.2 . 1 . . . . 107 VAL CA . 25557 1 516 . 1 1 107 107 VAL CB C 13 30.8 0.2 . 1 . . . . 107 VAL CB . 25557 1 517 . 1 1 107 107 VAL CG1 C 13 21.0 0.2 . 2 . . . . 107 VAL CG1 . 25557 1 518 . 1 1 107 107 VAL CG2 C 13 19.6 0.2 . 2 . . . . 107 VAL CG2 . 25557 1 519 . 1 1 107 107 VAL N N 15 121.2 0.2 . 1 . . . . 107 VAL N . 25557 1 520 . 1 1 108 108 ILE H H 1 7.76 0.02 . 1 . . . . 108 ILE H . 25557 1 521 . 1 1 108 108 ILE C C 13 175.8 0.2 . 1 . . . . 108 ILE C . 25557 1 522 . 1 1 108 108 ILE CA C 13 59.3 0.2 . 1 . . . . 108 ILE CA . 25557 1 523 . 1 1 108 108 ILE CB C 13 36.1 0.2 . 1 . . . . 108 ILE CB . 25557 1 524 . 1 1 108 108 ILE N N 15 121.2 0.2 . 1 . . . . 108 ILE N . 25557 1 525 . 1 1 109 109 LYS H H 1 8.65 0.02 . 1 . . . . 109 LYS H . 25557 1 526 . 1 1 109 109 LYS C C 13 175.4 0.2 . 1 . . . . 109 LYS C . 25557 1 527 . 1 1 109 109 LYS CA C 13 53.0 0.2 . 1 . . . . 109 LYS CA . 25557 1 528 . 1 1 109 109 LYS CB C 13 36.1 0.2 . 1 . . . . 109 LYS CB . 25557 1 529 . 1 1 109 109 LYS CG C 13 24.2 0.2 . 1 . . . . 109 LYS CG . 25557 1 530 . 1 1 109 109 LYS N N 15 127.3 0.2 . 1 . . . . 109 LYS N . 25557 1 531 . 1 1 110 110 GLU H H 1 8.64 0.02 . 1 . . . . 110 GLU H . 25557 1 532 . 1 1 110 110 GLU C C 13 176.1 0.2 . 1 . . . . 110 GLU C . 25557 1 533 . 1 1 110 110 GLU CA C 13 56.3 0.2 . 1 . . . . 110 GLU CA . 25557 1 534 . 1 1 110 110 GLU CB C 13 30.9 0.2 . 1 . . . . 110 GLU CB . 25557 1 535 . 1 1 110 110 GLU CG C 13 36.8 0.2 . 1 . . . . 110 GLU CG . 25557 1 536 . 1 1 110 110 GLU N N 15 121.6 0.2 . 1 . . . . 110 GLU N . 25557 1 537 . 1 1 111 111 LYS H H 1 8.96 0.02 . 1 . . . . 111 LYS H . 25557 1 538 . 1 1 111 111 LYS C C 13 174.4 0.2 . 1 . . . . 111 LYS C . 25557 1 539 . 1 1 111 111 LYS CA C 13 55.0 0.2 . 1 . . . . 111 LYS CA . 25557 1 540 . 1 1 111 111 LYS CB C 13 35.1 0.2 . 1 . . . . 111 LYS CB . 25557 1 541 . 1 1 111 111 LYS CD C 13 29.1 0.2 . 1 . . . . 111 LYS CD . 25557 1 542 . 1 1 111 111 LYS CG C 13 24.2 0.2 . 1 . . . . 111 LYS CG . 25557 1 543 . 1 1 111 111 LYS N N 15 124.4 0.2 . 1 . . . . 111 LYS N . 25557 1 544 . 1 1 112 112 ASN H H 1 8.58 0.02 . 1 . . . . 112 ASN H . 25557 1 545 . 1 1 112 112 ASN C C 13 175.3 0.2 . 1 . . . . 112 ASN C . 25557 1 546 . 1 1 112 112 ASN N N 15 120.8 0.2 . 1 . . . . 112 ASN N . 25557 1 547 . 1 1 113 113 MET H H 1 8.93 0.02 . 1 . . . . 113 MET H . 25557 1 548 . 1 1 113 113 MET C C 13 175.4 0.3 . 1 . . . . 113 MET C . 25557 1 549 . 1 1 113 113 MET CA C 13 54.6 0.2 . 1 . . . . 113 MET CA . 25557 1 550 . 1 1 113 113 MET CB C 13 33.7 0.2 . 1 . . . . 113 MET CB . 25557 1 551 . 1 1 113 113 MET CG C 13 31.6 0.2 . 1 . . . . 113 MET CG . 25557 1 552 . 1 1 113 113 MET N N 15 124.4 0.2 . 1 . . . . 113 MET N . 25557 1 553 . 1 1 114 114 TYR H H 1 8.84 0.02 . 1 . . . . 114 TYR H . 25557 1 554 . 1 1 114 114 TYR C C 13 176.0 0.2 . 1 . . . . 114 TYR C . 25557 1 555 . 1 1 114 114 TYR CA C 13 58.0 0.2 . 1 . . . . 114 TYR CA . 25557 1 556 . 1 1 114 114 TYR CB C 13 36.2 0.2 . 1 . . . . 114 TYR CB . 25557 1 557 . 1 1 114 114 TYR N N 15 122.2 0.2 . 1 . . . . 114 TYR N . 25557 1 558 . 1 1 115 115 GLY H H 1 8.30 0.02 . 1 . . . . 115 GLY H . 25557 1 559 . 1 1 115 115 GLY C C 13 174.0 0.2 . 1 . . . . 115 GLY C . 25557 1 560 . 1 1 115 115 GLY CA C 13 45.5 0.2 . 1 . . . . 115 GLY CA . 25557 1 561 . 1 1 115 115 GLY N N 15 105.9 0.2 . 1 . . . . 115 GLY N . 25557 1 562 . 1 1 116 116 LYS H H 1 7.78 0.02 . 1 . . . . 116 LYS H . 25557 1 563 . 1 1 116 116 LYS C C 13 175.0 0.2 . 1 . . . . 116 LYS C . 25557 1 564 . 1 1 116 116 LYS CA C 13 54.6 0.2 . 1 . . . . 116 LYS CA . 25557 1 565 . 1 1 116 116 LYS CB C 13 34.5 0.2 . 1 . . . . 116 LYS CB . 25557 1 566 . 1 1 116 116 LYS CD C 13 28.8 0.2 . 1 . . . . 116 LYS CD . 25557 1 567 . 1 1 116 116 LYS CG C 13 24.5 0.2 . 1 . . . . 116 LYS CG . 25557 1 568 . 1 1 116 116 LYS N N 15 120.5 0.2 . 1 . . . . 116 LYS N . 25557 1 569 . 1 1 117 117 GLN H H 1 8.52 0.02 . 1 . . . . 117 GLN H . 25557 1 570 . 1 1 117 117 GLN C C 13 175.9 0.2 . 1 . . . . 117 GLN C . 25557 1 571 . 1 1 117 117 GLN CA C 13 55.6 0.2 . 1 . . . . 117 GLN CA . 25557 1 572 . 1 1 117 117 GLN CB C 13 29.4 0.2 . 1 . . . . 117 GLN CB . 25557 1 573 . 1 1 117 117 GLN CG C 13 34.1 0.2 . 1 . . . . 117 GLN CG . 25557 1 574 . 1 1 117 117 GLN N N 15 121.5 0.2 . 1 . . . . 117 GLN N . 25557 1 575 . 1 1 118 118 VAL H H 1 8.91 0.02 . 1 . . . . 118 VAL H . 25557 1 576 . 1 1 118 118 VAL C C 13 174.8 0.2 . 1 . . . . 118 VAL C . 25557 1 577 . 1 1 118 118 VAL CA C 13 60.8 0.2 . 1 . . . . 118 VAL CA . 25557 1 578 . 1 1 118 118 VAL CB C 13 35.0 0.2 . 1 . . . . 118 VAL CB . 25557 1 579 . 1 1 118 118 VAL CG1 C 13 21.2 0.2 . 2 . . . . 118 VAL CG1 . 25557 1 580 . 1 1 118 118 VAL CG2 C 13 20.5 0.2 . 2 . . . . 118 VAL CG2 . 25557 1 581 . 1 1 118 118 VAL N N 15 123.7 0.2 . 1 . . . . 118 VAL N . 25557 1 582 . 1 1 119 119 LEU H H 1 8.60 0.02 . 1 . . . . 119 LEU H . 25557 1 583 . 1 1 119 119 LEU C C 13 177.5 0.2 . 1 . . . . 119 LEU C . 25557 1 584 . 1 1 119 119 LEU CA C 13 54.0 0.2 . 1 . . . . 119 LEU CA . 25557 1 585 . 1 1 119 119 LEU CB C 13 42.9 0.2 . 1 . . . . 119 LEU CB . 25557 1 586 . 1 1 119 119 LEU CD1 C 13 25.0 0.2 . 2 . . . . 119 LEU CD1 . 25557 1 587 . 1 1 119 119 LEU CD2 C 13 23.7 0.2 . 2 . . . . 119 LEU CD2 . 25557 1 588 . 1 1 119 119 LEU N N 15 125.8 0.2 . 1 . . . . 119 LEU N . 25557 1 589 . 1 1 120 120 GLY H H 1 8.49 0.02 . 1 . . . . 120 GLY H . 25557 1 590 . 1 1 120 120 GLY C C 13 171.7 0.2 . 1 . . . . 120 GLY C . 25557 1 591 . 1 1 120 120 GLY CA C 13 44.7 0.2 . 1 . . . . 120 GLY CA . 25557 1 592 . 1 1 120 120 GLY N N 15 109.5 0.2 . 1 . . . . 120 GLY N . 25557 1 593 . 1 1 121 121 ILE H H 1 8.23 0.02 . 1 . . . . 121 ILE H . 25557 1 594 . 1 1 121 121 ILE C C 13 175.6 0.2 . 1 . . . . 121 ILE C . 25557 1 595 . 1 1 121 121 ILE CA C 13 62.3 0.2 . 1 . . . . 121 ILE CA . 25557 1 596 . 1 1 121 121 ILE CB C 13 39.9 0.2 . 1 . . . . 121 ILE CB . 25557 1 597 . 1 1 121 121 ILE CG1 C 13 29.1 0.2 . 1 . . . . 121 ILE CG1 . 25557 1 598 . 1 1 121 121 ILE N N 15 119.6 0.2 . 1 . . . . 121 ILE N . 25557 1 599 . 1 1 122 122 GLU H H 1 9.10 0.02 . 1 . . . . 122 GLU H . 25557 1 600 . 1 1 122 122 GLU C C 13 175.9 0.2 . 1 . . . . 122 GLU C . 25557 1 601 . 1 1 122 122 GLU CA C 13 55.0 0.2 . 1 . . . . 122 GLU CA . 25557 1 602 . 1 1 122 122 GLU CB C 13 31.6 0.2 . 1 . . . . 122 GLU CB . 25557 1 603 . 1 1 122 122 GLU N N 15 130.7 0.2 . 1 . . . . 122 GLU N . 25557 1 604 . 1 1 123 123 ARG H H 1 9.06 0.02 . 1 . . . . 123 ARG H . 25557 1 605 . 1 1 123 123 ARG C C 13 176.0 0.2 . 1 . . . . 123 ARG C . 25557 1 606 . 1 1 123 123 ARG CA C 13 59.2 0.2 . 1 . . . . 123 ARG CA . 25557 1 607 . 1 1 123 123 ARG CB C 13 30.5 0.2 . 1 . . . . 123 ARG CB . 25557 1 608 . 1 1 123 123 ARG N N 15 134.1 0.2 . 1 . . . . 123 ARG N . 25557 1 609 . 1 1 124 124 SER H H 1 7.93 0.02 . 1 . . . . 124 SER H . 25557 1 610 . 1 1 124 124 SER C C 13 171.3 0.2 . 1 . . . . 124 SER C . 25557 1 611 . 1 1 124 124 SER CA C 13 58.6 0.2 . 1 . . . . 124 SER CA . 25557 1 612 . 1 1 124 124 SER CB C 13 69.6 0.2 . 1 . . . . 124 SER CB . 25557 1 613 . 1 1 124 124 SER N N 15 124.3 0.2 . 1 . . . . 124 SER N . 25557 1 614 . 1 1 125 125 THR H H 1 9.72 0.02 . 1 . . . . 125 THR H . 25557 1 615 . 1 1 125 125 THR C C 13 171.3 0.2 . 1 . . . . 125 THR C . 25557 1 616 . 1 1 125 125 THR CA C 13 61.2 0.2 . 1 . . . . 125 THR CA . 25557 1 617 . 1 1 125 125 THR CB C 13 71.1 0.2 . 1 . . . . 125 THR CB . 25557 1 618 . 1 1 125 125 THR N N 15 123.3 0.2 . 1 . . . . 125 THR N . 25557 1 619 . 1 1 126 126 PHE H H 1 9.55 0.02 . 1 . . . . 126 PHE H . 25557 1 620 . 1 1 126 126 PHE C C 13 172.7 0.2 . 1 . . . . 126 PHE C . 25557 1 621 . 1 1 126 126 PHE CA C 13 57.1 0.2 . 1 . . . . 126 PHE CA . 25557 1 622 . 1 1 126 126 PHE CB C 13 43.7 0.2 . 1 . . . . 126 PHE CB . 25557 1 623 . 1 1 126 126 PHE N N 15 123.5 0.2 . 1 . . . . 126 PHE N . 25557 1 624 . 1 1 127 127 LEU H H 1 8.91 0.02 . 1 . . . . 127 LEU H . 25557 1 625 . 1 1 127 127 LEU C C 13 174.2 0.2 . 1 . . . . 127 LEU C . 25557 1 626 . 1 1 127 127 LEU CA C 13 53.6 0.2 . 1 . . . . 127 LEU CA . 25557 1 627 . 1 1 127 127 LEU CB C 13 46.0 0.2 . 1 . . . . 127 LEU CB . 25557 1 628 . 1 1 127 127 LEU N N 15 122.6 0.2 . 1 . . . . 127 LEU N . 25557 1 629 . 1 1 128 128 LEU H H 1 10.18 0.02 . 1 . . . . 128 LEU H . 25557 1 630 . 1 1 128 128 LEU C C 13 175.9 0.2 . 1 . . . . 128 LEU C . 25557 1 631 . 1 1 128 128 LEU CA C 13 54.5 0.2 . 1 . . . . 128 LEU CA . 25557 1 632 . 1 1 128 128 LEU CB C 13 44.4 0.2 . 1 . . . . 128 LEU CB . 25557 1 633 . 1 1 128 128 LEU N N 15 130.3 0.2 . 1 . . . . 128 LEU N . 25557 1 634 . 1 1 129 129 SER H H 1 9.30 0.02 . 1 . . . . 129 SER H . 25557 1 635 . 1 1 129 129 SER C C 13 174.3 0.2 . 1 . . . . 129 SER C . 25557 1 636 . 1 1 129 129 SER CA C 13 55.5 0.2 . 1 . . . . 129 SER CA . 25557 1 637 . 1 1 129 129 SER CB C 13 63.2 0.2 . 1 . . . . 129 SER CB . 25557 1 638 . 1 1 129 129 SER N N 15 117.0 0.2 . 1 . . . . 129 SER N . 25557 1 639 . 1 1 130 130 PRO C C 13 177.2 0.2 . 1 . . . . 130 PRO C . 25557 1 640 . 1 1 130 130 PRO CA C 13 64.2 0.2 . 1 . . . . 130 PRO CA . 25557 1 641 . 1 1 130 130 PRO CB C 13 31.9 0.2 . 1 . . . . 130 PRO CB . 25557 1 642 . 1 1 131 131 GLU H H 1 7.21 0.02 . 1 . . . . 131 GLU H . 25557 1 643 . 1 1 131 131 GLU C C 13 176.3 0.2 . 1 . . . . 131 GLU C . 25557 1 644 . 1 1 131 131 GLU CA C 13 56.0 0.2 . 1 . . . . 131 GLU CA . 25557 1 645 . 1 1 131 131 GLU CB C 13 29.4 0.2 . 1 . . . . 131 GLU CB . 25557 1 646 . 1 1 131 131 GLU CG C 13 36.8 0.2 . 1 . . . . 131 GLU CG . 25557 1 647 . 1 1 131 131 GLU N N 15 112.7 0.2 . 1 . . . . 131 GLU N . 25557 1 648 . 1 1 132 132 GLY H H 1 8.39 0.02 . 1 . . . . 132 GLY H . 25557 1 649 . 1 1 132 132 GLY C C 13 172.9 0.2 . 1 . . . . 132 GLY C . 25557 1 650 . 1 1 132 132 GLY CA C 13 45.9 0.2 . 1 . . . . 132 GLY CA . 25557 1 651 . 1 1 132 132 GLY N N 15 109.5 0.2 . 1 . . . . 132 GLY N . 25557 1 652 . 1 1 133 133 GLN H H 1 7.20 0.02 . 1 . . . . 133 GLN H . 25557 1 653 . 1 1 133 133 GLN C C 13 176.1 0.2 . 1 . . . . 133 GLN C . 25557 1 654 . 1 1 133 133 GLN CA C 13 54.2 0.2 . 1 . . . . 133 GLN CA . 25557 1 655 . 1 1 133 133 GLN CB C 13 30.1 0.2 . 1 . . . . 133 GLN CB . 25557 1 656 . 1 1 133 133 GLN CG C 13 33.9 0.2 . 1 . . . . 133 GLN CG . 25557 1 657 . 1 1 133 133 GLN N N 15 115.2 0.2 . 1 . . . . 133 GLN N . 25557 1 658 . 1 1 134 134 VAL H H 1 9.42 0.02 . 1 . . . . 134 VAL H . 25557 1 659 . 1 1 134 134 VAL C C 13 176.1 0.2 . 1 . . . . 134 VAL C . 25557 1 660 . 1 1 134 134 VAL CA C 13 63.1 0.2 . 1 . . . . 134 VAL CA . 25557 1 661 . 1 1 134 134 VAL CB C 13 30.6 0.2 . 1 . . . . 134 VAL CB . 25557 1 662 . 1 1 134 134 VAL N N 15 124.6 0.2 . 1 . . . . 134 VAL N . 25557 1 663 . 1 1 135 135 VAL H H 1 8.91 0.02 . 1 . . . . 135 VAL H . 25557 1 664 . 1 1 135 135 VAL C C 13 175.7 0.2 . 1 . . . . 135 VAL C . 25557 1 665 . 1 1 135 135 VAL CA C 13 62.1 0.2 . 1 . . . . 135 VAL CA . 25557 1 666 . 1 1 135 135 VAL CB C 13 32.8 0.2 . 1 . . . . 135 VAL CB . 25557 1 667 . 1 1 135 135 VAL CG1 C 13 21.4 0.2 . . . . . . 135 VAL CG1 . 25557 1 668 . 1 1 135 135 VAL CG2 C 13 19.8 0.2 . . . . . . 135 VAL CG2 . 25557 1 669 . 1 1 135 135 VAL N N 15 122.6 0.2 . 1 . . . . 135 VAL N . 25557 1 670 . 1 1 136 136 GLN H H 1 7.73 0.02 . 1 . . . . 136 GLN H . 25557 1 671 . 1 1 136 136 GLN C C 13 171.6 0.2 . 1 . . . . 136 GLN C . 25557 1 672 . 1 1 136 136 GLN CA C 13 57.2 0.2 . 1 . . . . 136 GLN CA . 25557 1 673 . 1 1 136 136 GLN CB C 13 30.3 0.2 . 1 . . . . 136 GLN CB . 25557 1 674 . 1 1 136 136 GLN CG C 13 32.5 0.2 . 1 . . . . 136 GLN CG . 25557 1 675 . 1 1 136 136 GLN N N 15 119.3 0.2 . 1 . . . . 136 GLN N . 25557 1 676 . 1 1 137 137 ALA H H 1 8.34 0.02 . 1 . . . . 137 ALA H . 25557 1 677 . 1 1 137 137 ALA C C 13 175.5 0.2 . 1 . . . . 137 ALA C . 25557 1 678 . 1 1 137 137 ALA CA C 13 50.9 0.2 . 1 . . . . 137 ALA CA . 25557 1 679 . 1 1 137 137 ALA CB C 13 24.0 0.2 . 1 . . . . 137 ALA CB . 25557 1 680 . 1 1 137 137 ALA N N 15 125.9 0.2 . 1 . . . . 137 ALA N . 25557 1 681 . 1 1 138 138 TRP H H 1 9.42 0.02 . 1 . . . . 138 TRP H . 25557 1 682 . 1 1 138 138 TRP HE1 H 1 10.37 0.02 . 1 . . . . 138 TRP HE1 . 25557 1 683 . 1 1 138 138 TRP C C 13 174.4 0.2 . 1 . . . . 138 TRP C . 25557 1 684 . 1 1 138 138 TRP CA C 13 58.4 0.2 . 1 . . . . 138 TRP CA . 25557 1 685 . 1 1 138 138 TRP CB C 13 32.9 0.2 . 1 . . . . 138 TRP CB . 25557 1 686 . 1 1 138 138 TRP N N 15 123.9 0.2 . 1 . . . . 138 TRP N . 25557 1 687 . 1 1 138 138 TRP NE1 N 15 129.8 0.2 . 1 . . . . 138 TRP NE1 . 25557 1 688 . 1 1 139 139 ARG H H 1 8.70 0.02 . 1 . . . . 139 ARG H . 25557 1 689 . 1 1 139 139 ARG C C 13 176.1 0.2 . 1 . . . . 139 ARG C . 25557 1 690 . 1 1 139 139 ARG CA C 13 55.2 0.2 . 1 . . . . 139 ARG CA . 25557 1 691 . 1 1 139 139 ARG N N 15 120.8 0.2 . 1 . . . . 139 ARG N . 25557 1 692 . 1 1 140 140 LYS H H 1 7.61 0.02 . 1 . . . . 140 LYS H . 25557 1 693 . 1 1 140 140 LYS C C 13 176.1 0.2 . 1 . . . . 140 LYS C . 25557 1 694 . 1 1 140 140 LYS CA C 13 57.8 0.2 . 1 . . . . 140 LYS CA . 25557 1 695 . 1 1 140 140 LYS CB C 13 30.1 0.2 . 1 . . . . 140 LYS CB . 25557 1 696 . 1 1 140 140 LYS CG C 13 25.7 0.2 . 1 . . . . 140 LYS CG . 25557 1 697 . 1 1 140 140 LYS N N 15 121.1 0.2 . 1 . . . . 140 LYS N . 25557 1 698 . 1 1 141 141 VAL H H 1 7.65 0.02 . 1 . . . . 141 VAL H . 25557 1 699 . 1 1 141 141 VAL C C 13 176.5 0.2 . 1 . . . . 141 VAL C . 25557 1 700 . 1 1 141 141 VAL CA C 13 63.4 0.2 . 1 . . . . 141 VAL CA . 25557 1 701 . 1 1 141 141 VAL CB C 13 33.3 0.2 . 1 . . . . 141 VAL CB . 25557 1 702 . 1 1 141 141 VAL CG1 C 13 23.7 0.2 . 2 . . . . 141 VAL CG1 . 25557 1 703 . 1 1 141 141 VAL CG2 C 13 23.7 0.2 . 2 . . . . 141 VAL CG2 . 25557 1 704 . 1 1 141 141 VAL N N 15 118.6 0.2 . 1 . . . . 141 VAL N . 25557 1 705 . 1 1 142 142 LYS H H 1 8.32 0.02 . 1 . . . . 142 LYS H . 25557 1 706 . 1 1 142 142 LYS C C 13 176.1 0.2 . 1 . . . . 142 LYS C . 25557 1 707 . 1 1 142 142 LYS CA C 13 54.1 0.2 . 1 . . . . 142 LYS CA . 25557 1 708 . 1 1 142 142 LYS CB C 13 32.5 0.2 . 1 . . . . 142 LYS CB . 25557 1 709 . 1 1 142 142 LYS CD C 13 29.2 0.2 . 1 . . . . 142 LYS CD . 25557 1 710 . 1 1 142 142 LYS CG C 13 24.7 0.2 . 1 . . . . 142 LYS CG . 25557 1 711 . 1 1 142 142 LYS N N 15 128.0 0.2 . 1 . . . . 142 LYS N . 25557 1 712 . 1 1 143 143 VAL H H 1 8.48 0.02 . 1 . . . . 143 VAL H . 25557 1 713 . 1 1 143 143 VAL C C 13 177.0 0.2 . 1 . . . . 143 VAL C . 25557 1 714 . 1 1 143 143 VAL CA C 13 67.9 0.2 . 1 . . . . 143 VAL CA . 25557 1 715 . 1 1 143 143 VAL CB C 13 32.0 0.2 . 1 . . . . 143 VAL CB . 25557 1 716 . 1 1 143 143 VAL CG1 C 13 23.1 0.2 . . . . . . 143 VAL CG1 . 25557 1 717 . 1 1 143 143 VAL CG2 C 13 21.3 0.2 . . . . . . 143 VAL CG2 . 25557 1 718 . 1 1 143 143 VAL N N 15 124.5 0.2 . 1 . . . . 143 VAL N . 25557 1 719 . 1 1 144 144 ALA H H 1 8.26 0.02 . 1 . . . . 144 ALA H . 25557 1 720 . 1 1 144 144 ALA C C 13 179.2 0.2 . 1 . . . . 144 ALA C . 25557 1 721 . 1 1 144 144 ALA CA C 13 54.1 0.2 . 1 . . . . 144 ALA CA . 25557 1 722 . 1 1 144 144 ALA CB C 13 17.3 0.2 . 1 . . . . 144 ALA CB . 25557 1 723 . 1 1 144 144 ALA N N 15 122.0 0.2 . 1 . . . . 144 ALA N . 25557 1 724 . 1 1 145 145 GLY H H 1 9.26 0.02 . 1 . . . . 145 GLY H . 25557 1 725 . 1 1 145 145 GLY C C 13 175.9 0.2 . 1 . . . . 145 GLY C . 25557 1 726 . 1 1 145 145 GLY CA C 13 45.8 0.2 . 1 . . . . 145 GLY CA . 25557 1 727 . 1 1 145 145 GLY N N 15 114.5 0.2 . 1 . . . . 145 GLY N . 25557 1 728 . 1 1 146 146 HIS H H 1 8.35 0.02 . 1 . . . . 146 HIS H . 25557 1 729 . 1 1 146 146 HIS C C 13 175.8 0.2 . 1 . . . . 146 HIS C . 25557 1 730 . 1 1 146 146 HIS CA C 13 59.7 0.2 . 1 . . . . 146 HIS CA . 25557 1 731 . 1 1 146 146 HIS CB C 13 28.2 0.2 . 1 . . . . 146 HIS CB . 25557 1 732 . 1 1 146 146 HIS N N 15 122.3 0.2 . 1 . . . . 146 HIS N . 25557 1 733 . 1 1 147 147 ALA H H 1 8.31 0.02 . 1 . . . . 147 ALA H . 25557 1 734 . 1 1 147 147 ALA C C 13 179.0 0.2 . 1 . . . . 147 ALA C . 25557 1 735 . 1 1 147 147 ALA CA C 13 56.1 0.2 . 1 . . . . 147 ALA CA . 25557 1 736 . 1 1 147 147 ALA CB C 13 16.4 0.2 . 1 . . . . 147 ALA CB . 25557 1 737 . 1 1 147 147 ALA N N 15 121.3 0.2 . 1 . . . . 147 ALA N . 25557 1 738 . 1 1 148 148 ASP H H 1 7.80 0.02 . 1 . . . . 148 ASP H . 25557 1 739 . 1 1 148 148 ASP C C 13 178.9 0.2 . 1 . . . . 148 ASP C . 25557 1 740 . 1 1 148 148 ASP CA C 13 57.1 0.2 . 1 . . . . 148 ASP CA . 25557 1 741 . 1 1 148 148 ASP CB C 13 40.9 0.2 . 1 . . . . 148 ASP CB . 25557 1 742 . 1 1 148 148 ASP N N 15 114.6 0.2 . 1 . . . . 148 ASP N . 25557 1 743 . 1 1 149 149 ALA H H 1 7.62 0.02 . 1 . . . . 149 ALA H . 25557 1 744 . 1 1 149 149 ALA C C 13 181.1 0.2 . 1 . . . . 149 ALA C . 25557 1 745 . 1 1 149 149 ALA CA C 13 54.9 0.2 . 1 . . . . 149 ALA CA . 25557 1 746 . 1 1 149 149 ALA CB C 13 17.5 0.2 . 1 . . . . 149 ALA CB . 25557 1 747 . 1 1 149 149 ALA N N 15 124.2 0.2 . 1 . . . . 149 ALA N . 25557 1 748 . 1 1 150 150 VAL H H 1 8.20 0.02 . 1 . . . . 150 VAL H . 25557 1 749 . 1 1 150 150 VAL C C 13 177.7 0.2 . 1 . . . . 150 VAL C . 25557 1 750 . 1 1 150 150 VAL CA C 13 65.6 0.2 . 1 . . . . 150 VAL CA . 25557 1 751 . 1 1 150 150 VAL CG1 C 13 21.4 0.2 . 2 . . . . 150 VAL CG1 . 25557 1 752 . 1 1 150 150 VAL CG2 C 13 21.4 0.2 . 2 . . . . 150 VAL CG2 . 25557 1 753 . 1 1 150 150 VAL N N 15 122.7 0.2 . 1 . . . . 150 VAL N . 25557 1 754 . 1 1 151 151 LEU H H 1 8.13 0.02 . 1 . . . . 151 LEU H . 25557 1 755 . 1 1 151 151 LEU C C 13 177.9 0.2 . 1 . . . . 151 LEU C . 25557 1 756 . 1 1 151 151 LEU CA C 13 57.8 0.2 . 1 . . . . 151 LEU CA . 25557 1 757 . 1 1 151 151 LEU CB C 13 40.1 0.2 . 1 . . . . 151 LEU CB . 25557 1 758 . 1 1 151 151 LEU N N 15 120.7 0.2 . 1 . . . . 151 LEU N . 25557 1 759 . 1 1 152 152 ALA H H 1 7.88 0.02 . 1 . . . . 152 ALA H . 25557 1 760 . 1 1 152 152 ALA C C 13 180.8 0.2 . 1 . . . . 152 ALA C . 25557 1 761 . 1 1 152 152 ALA CA C 13 55.1 0.2 . 1 . . . . 152 ALA CA . 25557 1 762 . 1 1 152 152 ALA CB C 13 17.6 0.2 . 1 . . . . 152 ALA CB . 25557 1 763 . 1 1 152 152 ALA N N 15 119.2 0.2 . 1 . . . . 152 ALA N . 25557 1 764 . 1 1 153 153 ALA H H 1 8.04 0.02 . 1 . . . . 153 ALA H . 25557 1 765 . 1 1 153 153 ALA C C 13 179.5 0.2 . 1 . . . . 153 ALA C . 25557 1 766 . 1 1 153 153 ALA CA C 13 54.7 0.2 . 1 . . . . 153 ALA CA . 25557 1 767 . 1 1 153 153 ALA CB C 13 18.4 0.2 . 1 . . . . 153 ALA CB . 25557 1 768 . 1 1 153 153 ALA N N 15 121.9 0.2 . 1 . . . . 153 ALA N . 25557 1 769 . 1 1 154 154 LEU H H 1 8.70 0.02 . 1 . . . . 154 LEU H . 25557 1 770 . 1 1 154 154 LEU C C 13 177.7 0.2 . 1 . . . . 154 LEU C . 25557 1 771 . 1 1 154 154 LEU CA C 13 58.6 0.2 . 1 . . . . 154 LEU CA . 25557 1 772 . 1 1 154 154 LEU CB C 13 41.0 0.2 . 1 . . . . 154 LEU CB . 25557 1 773 . 1 1 154 154 LEU N N 15 120.8 0.2 . 1 . . . . 154 LEU N . 25557 1 774 . 1 1 155 155 LYS H H 1 8.24 0.02 . 1 . . . . 155 LYS H . 25557 1 775 . 1 1 155 155 LYS C C 13 178.8 0.2 . 1 . . . . 155 LYS C . 25557 1 776 . 1 1 155 155 LYS CA C 13 60.1 0.2 . 1 . . . . 155 LYS CA . 25557 1 777 . 1 1 155 155 LYS CB C 13 32.1 0.2 . 1 . . . . 155 LYS CB . 25557 1 778 . 1 1 155 155 LYS N N 15 116.4 0.2 . 1 . . . . 155 LYS N . 25557 1 779 . 1 1 156 156 ALA H H 1 7.51 0.02 . 1 . . . . 156 ALA H . 25557 1 780 . 1 1 156 156 ALA C C 13 180.4 0.2 . 1 . . . . 156 ALA C . 25557 1 781 . 1 1 156 156 ALA CA C 13 54.5 0.2 . 1 . . . . 156 ALA CA . 25557 1 782 . 1 1 156 156 ALA CB C 13 18.0 0.2 . 1 . . . . 156 ALA CB . 25557 1 783 . 1 1 156 156 ALA N N 15 119.8 0.2 . 1 . . . . 156 ALA N . 25557 1 784 . 1 1 157 157 HIS H H 1 8.21 0.02 . 1 . . . . 157 HIS H . 25557 1 785 . 1 1 157 157 HIS C C 13 177.0 0.2 . 1 . . . . 157 HIS C . 25557 1 786 . 1 1 157 157 HIS CA C 13 59.4 0.2 . 1 . . . . 157 HIS CA . 25557 1 787 . 1 1 157 157 HIS CB C 13 31.1 0.2 . 1 . . . . 157 HIS CB . 25557 1 788 . 1 1 157 157 HIS N N 15 117.2 0.2 . 1 . . . . 157 HIS N . 25557 1 789 . 1 1 158 158 ALA H H 1 8.31 0.02 . 1 . . . . 158 ALA H . 25557 1 790 . 1 1 158 158 ALA C C 13 177.4 0.2 . 1 . . . . 158 ALA C . 25557 1 791 . 1 1 158 158 ALA CA C 13 53.1 0.2 . 1 . . . . 158 ALA CA . 25557 1 792 . 1 1 158 158 ALA CB C 13 18.1 0.2 . 1 . . . . 158 ALA CB . 25557 1 793 . 1 1 158 158 ALA N N 15 120.3 0.2 . 1 . . . . 158 ALA N . 25557 1 794 . 1 1 159 159 LYS H H 1 7.55 0.02 . 1 . . . . 159 LYS H . 25557 1 795 . 1 1 159 159 LYS C C 13 175.7 0.2 . 1 . . . . 159 LYS C . 25557 1 796 . 1 1 159 159 LYS CA C 13 56.7 0.2 . 1 . . . . 159 LYS CA . 25557 1 797 . 1 1 159 159 LYS CB C 13 31.9 0.2 . 1 . . . . 159 LYS CB . 25557 1 798 . 1 1 159 159 LYS CD C 13 29.1 0.2 . 1 . . . . 159 LYS CD . 25557 1 799 . 1 1 159 159 LYS CE C 13 42.3 0.2 . 1 . . . . 159 LYS CE . 25557 1 800 . 1 1 159 159 LYS CG C 13 24.5 0.2 . 1 . . . . 159 LYS CG . 25557 1 801 . 1 1 159 159 LYS N N 15 118.4 0.2 . 1 . . . . 159 LYS N . 25557 1 802 . 1 1 160 160 GLN H H 1 8.04 0.02 . 1 . . . . 160 GLN H . 25557 1 803 . 1 1 160 160 GLN C C 13 180.8 0.2 . 1 . . . . 160 GLN C . 25557 1 804 . 1 1 160 160 GLN CA C 13 57.2 0.2 . 1 . . . . 160 GLN CA . 25557 1 805 . 1 1 160 160 GLN CB C 13 30.7 0.2 . 1 . . . . 160 GLN CB . 25557 1 806 . 1 1 160 160 GLN N N 15 126.0 0.2 . 1 . . . . 160 GLN N . 25557 1 stop_ save_