data_51081 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51081 _Entry.Title ; FOXO4 (aa 14-217) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-08 _Entry.Accession_date 2021-09-08 _Entry.Last_release_date 2021-09-08 _Entry.Original_release_date 2021-09-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Klara Kohoutova . . . . 51081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 51081 '15N chemical shifts' 143 51081 '1H chemical shifts' 144 51081 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 . . 2022-05-06 . original BMRB . 51081 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51081 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35481640 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; FOXO4 interacts with p53 TAD and CRD and inhibits its binding to DNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 31 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e4287 _Citation.Page_last e4287 _Citation.Year 2022 _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 Raju Mandal R. . . . 51081 1 2 Klara Kohoutova K. . . . 51081 1 3 Olivia Petrvalska O. . . . 51081 1 4 Matej Horvath M. . . . 51081 1 5 Pavel Srb P. . . . 51081 1 6 Vaclav Veverka V. . . . 51081 1 7 Veronika Obsilova V. . . . 51081 1 8 Tomas Obsil T. . . . 51081 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51081 _Assembly.ID 1 _Assembly.Name FOXO4 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 FOXO4 1 $entity_1 . . yes native no no . . . 51081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GIIDLDPDFEPQSRPRSCTW PLPRPEIANQPSEPPEVEPD LGEKVHTEGRSEPILLPSRL PEPAGGPQPGILGAVTGPRK GGSRRNAWGNQSYAELISQA IESAPEKRLTLAQIYEWMVR TVPYFKDKGDSNSSAGWKNS IRHNLSLHSKFIKVHNEATG KSSWWMLNPEGGKSGKAPRR RAASMDSSSKLLRGRSKAPK KKPS ; _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 204 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLY . 51081 1 2 15 ILE . 51081 1 3 16 ILE . 51081 1 4 17 ASP . 51081 1 5 18 LEU . 51081 1 6 19 ASP . 51081 1 7 20 PRO . 51081 1 8 21 ASP . 51081 1 9 22 PHE . 51081 1 10 23 GLU . 51081 1 11 24 PRO . 51081 1 12 25 GLN . 51081 1 13 26 SER . 51081 1 14 27 ARG . 51081 1 15 28 PRO . 51081 1 16 29 ARG . 51081 1 17 30 SER . 51081 1 18 31 CYS . 51081 1 19 32 THR . 51081 1 20 33 TRP . 51081 1 21 34 PRO . 51081 1 22 35 LEU . 51081 1 23 36 PRO . 51081 1 24 37 ARG . 51081 1 25 38 PRO . 51081 1 26 39 GLU . 51081 1 27 40 ILE . 51081 1 28 41 ALA . 51081 1 29 42 ASN . 51081 1 30 43 GLN . 51081 1 31 44 PRO . 51081 1 32 45 SER . 51081 1 33 46 GLU . 51081 1 34 47 PRO . 51081 1 35 48 PRO . 51081 1 36 49 GLU . 51081 1 37 50 VAL . 51081 1 38 51 GLU . 51081 1 39 52 PRO . 51081 1 40 53 ASP . 51081 1 41 54 LEU . 51081 1 42 55 GLY . 51081 1 43 56 GLU . 51081 1 44 57 LYS . 51081 1 45 58 VAL . 51081 1 46 59 HIS . 51081 1 47 60 THR . 51081 1 48 61 GLU . 51081 1 49 62 GLY . 51081 1 50 63 ARG . 51081 1 51 64 SER . 51081 1 52 65 GLU . 51081 1 53 66 PRO . 51081 1 54 67 ILE . 51081 1 55 68 LEU . 51081 1 56 69 LEU . 51081 1 57 70 PRO . 51081 1 58 71 SER . 51081 1 59 72 ARG . 51081 1 60 73 LEU . 51081 1 61 74 PRO . 51081 1 62 75 GLU . 51081 1 63 76 PRO . 51081 1 64 77 ALA . 51081 1 65 78 GLY . 51081 1 66 79 GLY . 51081 1 67 80 PRO . 51081 1 68 81 GLN . 51081 1 69 82 PRO . 51081 1 70 83 GLY . 51081 1 71 84 ILE . 51081 1 72 85 LEU . 51081 1 73 86 GLY . 51081 1 74 87 ALA . 51081 1 75 88 VAL . 51081 1 76 89 THR . 51081 1 77 90 GLY . 51081 1 78 91 PRO . 51081 1 79 92 ARG . 51081 1 80 93 LYS . 51081 1 81 94 GLY . 51081 1 82 95 GLY . 51081 1 83 96 SER . 51081 1 84 97 ARG . 51081 1 85 98 ARG . 51081 1 86 99 ASN . 51081 1 87 100 ALA . 51081 1 88 101 TRP . 51081 1 89 102 GLY . 51081 1 90 103 ASN . 51081 1 91 104 GLN . 51081 1 92 105 SER . 51081 1 93 106 TYR . 51081 1 94 107 ALA . 51081 1 95 108 GLU . 51081 1 96 109 LEU . 51081 1 97 110 ILE . 51081 1 98 111 SER . 51081 1 99 112 GLN . 51081 1 100 113 ALA . 51081 1 101 114 ILE . 51081 1 102 115 GLU . 51081 1 103 116 SER . 51081 1 104 117 ALA . 51081 1 105 118 PRO . 51081 1 106 119 GLU . 51081 1 107 120 LYS . 51081 1 108 121 ARG . 51081 1 109 122 LEU . 51081 1 110 123 THR . 51081 1 111 124 LEU . 51081 1 112 125 ALA . 51081 1 113 126 GLN . 51081 1 114 127 ILE . 51081 1 115 128 TYR . 51081 1 116 129 GLU . 51081 1 117 130 TRP . 51081 1 118 131 MET . 51081 1 119 132 VAL . 51081 1 120 133 ARG . 51081 1 121 134 THR . 51081 1 122 135 VAL . 51081 1 123 136 PRO . 51081 1 124 137 TYR . 51081 1 125 138 PHE . 51081 1 126 139 LYS . 51081 1 127 140 ASP . 51081 1 128 141 LYS . 51081 1 129 142 GLY . 51081 1 130 143 ASP . 51081 1 131 144 SER . 51081 1 132 145 ASN . 51081 1 133 146 SER . 51081 1 134 147 SER . 51081 1 135 148 ALA . 51081 1 136 149 GLY . 51081 1 137 150 TRP . 51081 1 138 151 LYS . 51081 1 139 152 ASN . 51081 1 140 153 SER . 51081 1 141 154 ILE . 51081 1 142 155 ARG . 51081 1 143 156 HIS . 51081 1 144 157 ASN . 51081 1 145 158 LEU . 51081 1 146 159 SER . 51081 1 147 160 LEU . 51081 1 148 161 HIS . 51081 1 149 162 SER . 51081 1 150 163 LYS . 51081 1 151 164 PHE . 51081 1 152 165 ILE . 51081 1 153 166 LYS . 51081 1 154 167 VAL . 51081 1 155 168 HIS . 51081 1 156 169 ASN . 51081 1 157 170 GLU . 51081 1 158 171 ALA . 51081 1 159 172 THR . 51081 1 160 173 GLY . 51081 1 161 174 LYS . 51081 1 162 175 SER . 51081 1 163 176 SER . 51081 1 164 177 TRP . 51081 1 165 178 TRP . 51081 1 166 179 MET . 51081 1 167 180 LEU . 51081 1 168 181 ASN . 51081 1 169 182 PRO . 51081 1 170 183 GLU . 51081 1 171 184 GLY . 51081 1 172 185 GLY . 51081 1 173 186 LYS . 51081 1 174 187 SER . 51081 1 175 188 GLY . 51081 1 176 189 LYS . 51081 1 177 190 ALA . 51081 1 178 191 PRO . 51081 1 179 192 ARG . 51081 1 180 193 ARG . 51081 1 181 194 ARG . 51081 1 182 195 ALA . 51081 1 183 196 ALA . 51081 1 184 197 SER . 51081 1 185 198 MET . 51081 1 186 199 ASP . 51081 1 187 200 SER . 51081 1 188 201 SER . 51081 1 189 202 SER . 51081 1 190 203 LYS . 51081 1 191 204 LEU . 51081 1 192 205 LEU . 51081 1 193 206 ARG . 51081 1 194 207 GLY . 51081 1 195 208 ARG . 51081 1 196 209 SER . 51081 1 197 210 LYS . 51081 1 198 211 ALA . 51081 1 199 212 PRO . 51081 1 200 213 LYS . 51081 1 201 214 LYS . 51081 1 202 215 LYS . 51081 1 203 216 PRO . 51081 1 204 217 SER . 51081 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51081 1 . ILE 2 2 51081 1 . ILE 3 3 51081 1 . ASP 4 4 51081 1 . LEU 5 5 51081 1 . ASP 6 6 51081 1 . PRO 7 7 51081 1 . ASP 8 8 51081 1 . PHE 9 9 51081 1 . GLU 10 10 51081 1 . PRO 11 11 51081 1 . GLN 12 12 51081 1 . SER 13 13 51081 1 . ARG 14 14 51081 1 . PRO 15 15 51081 1 . ARG 16 16 51081 1 . SER 17 17 51081 1 . CYS 18 18 51081 1 . THR 19 19 51081 1 . TRP 20 20 51081 1 . PRO 21 21 51081 1 . LEU 22 22 51081 1 . PRO 23 23 51081 1 . ARG 24 24 51081 1 . PRO 25 25 51081 1 . GLU 26 26 51081 1 . ILE 27 27 51081 1 . ALA 28 28 51081 1 . ASN 29 29 51081 1 . GLN 30 30 51081 1 . PRO 31 31 51081 1 . SER 32 32 51081 1 . GLU 33 33 51081 1 . PRO 34 34 51081 1 . PRO 35 35 51081 1 . GLU 36 36 51081 1 . VAL 37 37 51081 1 . GLU 38 38 51081 1 . PRO 39 39 51081 1 . ASP 40 40 51081 1 . LEU 41 41 51081 1 . GLY 42 42 51081 1 . GLU 43 43 51081 1 . LYS 44 44 51081 1 . VAL 45 45 51081 1 . HIS 46 46 51081 1 . THR 47 47 51081 1 . GLU 48 48 51081 1 . GLY 49 49 51081 1 . ARG 50 50 51081 1 . SER 51 51 51081 1 . GLU 52 52 51081 1 . PRO 53 53 51081 1 . ILE 54 54 51081 1 . LEU 55 55 51081 1 . LEU 56 56 51081 1 . PRO 57 57 51081 1 . SER 58 58 51081 1 . ARG 59 59 51081 1 . LEU 60 60 51081 1 . PRO 61 61 51081 1 . GLU 62 62 51081 1 . PRO 63 63 51081 1 . ALA 64 64 51081 1 . GLY 65 65 51081 1 . GLY 66 66 51081 1 . PRO 67 67 51081 1 . GLN 68 68 51081 1 . PRO 69 69 51081 1 . GLY 70 70 51081 1 . ILE 71 71 51081 1 . LEU 72 72 51081 1 . GLY 73 73 51081 1 . ALA 74 74 51081 1 . VAL 75 75 51081 1 . THR 76 76 51081 1 . GLY 77 77 51081 1 . PRO 78 78 51081 1 . ARG 79 79 51081 1 . LYS 80 80 51081 1 . GLY 81 81 51081 1 . GLY 82 82 51081 1 . SER 83 83 51081 1 . ARG 84 84 51081 1 . ARG 85 85 51081 1 . ASN 86 86 51081 1 . ALA 87 87 51081 1 . TRP 88 88 51081 1 . GLY 89 89 51081 1 . ASN 90 90 51081 1 . GLN 91 91 51081 1 . SER 92 92 51081 1 . TYR 93 93 51081 1 . ALA 94 94 51081 1 . GLU 95 95 51081 1 . LEU 96 96 51081 1 . ILE 97 97 51081 1 . SER 98 98 51081 1 . GLN 99 99 51081 1 . ALA 100 100 51081 1 . ILE 101 101 51081 1 . GLU 102 102 51081 1 . SER 103 103 51081 1 . ALA 104 104 51081 1 . PRO 105 105 51081 1 . GLU 106 106 51081 1 . LYS 107 107 51081 1 . ARG 108 108 51081 1 . LEU 109 109 51081 1 . THR 110 110 51081 1 . LEU 111 111 51081 1 . ALA 112 112 51081 1 . GLN 113 113 51081 1 . ILE 114 114 51081 1 . TYR 115 115 51081 1 . GLU 116 116 51081 1 . TRP 117 117 51081 1 . MET 118 118 51081 1 . VAL 119 119 51081 1 . ARG 120 120 51081 1 . THR 121 121 51081 1 . VAL 122 122 51081 1 . PRO 123 123 51081 1 . TYR 124 124 51081 1 . PHE 125 125 51081 1 . LYS 126 126 51081 1 . ASP 127 127 51081 1 . LYS 128 128 51081 1 . GLY 129 129 51081 1 . ASP 130 130 51081 1 . SER 131 131 51081 1 . ASN 132 132 51081 1 . SER 133 133 51081 1 . SER 134 134 51081 1 . ALA 135 135 51081 1 . GLY 136 136 51081 1 . TRP 137 137 51081 1 . LYS 138 138 51081 1 . ASN 139 139 51081 1 . SER 140 140 51081 1 . ILE 141 141 51081 1 . ARG 142 142 51081 1 . HIS 143 143 51081 1 . ASN 144 144 51081 1 . LEU 145 145 51081 1 . SER 146 146 51081 1 . LEU 147 147 51081 1 . HIS 148 148 51081 1 . SER 149 149 51081 1 . LYS 150 150 51081 1 . PHE 151 151 51081 1 . ILE 152 152 51081 1 . LYS 153 153 51081 1 . VAL 154 154 51081 1 . HIS 155 155 51081 1 . ASN 156 156 51081 1 . GLU 157 157 51081 1 . ALA 158 158 51081 1 . THR 159 159 51081 1 . GLY 160 160 51081 1 . LYS 161 161 51081 1 . SER 162 162 51081 1 . SER 163 163 51081 1 . TRP 164 164 51081 1 . TRP 165 165 51081 1 . MET 166 166 51081 1 . LEU 167 167 51081 1 . ASN 168 168 51081 1 . PRO 169 169 51081 1 . GLU 170 170 51081 1 . GLY 171 171 51081 1 . GLY 172 172 51081 1 . LYS 173 173 51081 1 . SER 174 174 51081 1 . GLY 175 175 51081 1 . LYS 176 176 51081 1 . ALA 177 177 51081 1 . PRO 178 178 51081 1 . ARG 179 179 51081 1 . ARG 180 180 51081 1 . ARG 181 181 51081 1 . ALA 182 182 51081 1 . ALA 183 183 51081 1 . SER 184 184 51081 1 . MET 185 185 51081 1 . ASP 186 186 51081 1 . SER 187 187 51081 1 . SER 188 188 51081 1 . SER 189 189 51081 1 . LYS 190 190 51081 1 . LEU 191 191 51081 1 . LEU 192 192 51081 1 . ARG 193 193 51081 1 . GLY 194 194 51081 1 . ARG 195 195 51081 1 . SER 196 196 51081 1 . LYS 197 197 51081 1 . ALA 198 198 51081 1 . PRO 199 199 51081 1 . LYS 200 200 51081 1 . LYS 201 201 51081 1 . LYS 202 202 51081 1 . PRO 203 203 51081 1 . SER 204 204 51081 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51081 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51081 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51081 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 51081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51081 _Sample.ID 1 _Sample.Name s1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 FOXO4 '[U-13C; U-15N]' . . 1 $entity_1 . . 250 . . uM . . . . 51081 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 51081 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51081 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 51081 _Sample_condition_list.ID 1 _Sample_condition_list.Name c1 _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' 175 . mM 51081 1 pH 7.5 . pH 51081 1 pressure 1 . atm 51081 1 temperature 298 . K 51081 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51081 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51081 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51081 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51081 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51081 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51081 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name b1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51081 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51081 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51081 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51081 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51081 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name r1 _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 . . . . . 51081 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51081 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51081 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51081 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name l1 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.12 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 TROSY' . . . 51081 1 2 '3D HNCA' . . . 51081 1 3 '3D HNCO' . . . 51081 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 $software_1 . . 51081 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 174.458 0.000 . . . . . . . 14 GLY C . 51081 1 2 . 1 . 1 2 2 ILE H H 1 8.352 0.001 . . . . . . . 15 ILE H . 51081 1 3 . 1 . 1 2 2 ILE C C 13 176.254 0.005 . . . . . . . 15 ILE C . 51081 1 4 . 1 . 1 2 2 ILE CA C 13 61.597 0.030 . . . . . . . 15 ILE CA . 51081 1 5 . 1 . 1 2 2 ILE CB C 13 38.476 0.000 . . . . . . . 15 ILE CB . 51081 1 6 . 1 . 1 2 2 ILE N N 15 122.678 0.040 . . . . . . . 15 ILE N . 51081 1 7 . 1 . 1 3 3 ILE H H 1 8.110 0.001 . . . . . . . 16 ILE H . 51081 1 8 . 1 . 1 3 3 ILE C C 13 175.579 0.004 . . . . . . . 16 ILE C . 51081 1 9 . 1 . 1 3 3 ILE CA C 13 61.132 0.074 . . . . . . . 16 ILE CA . 51081 1 10 . 1 . 1 3 3 ILE CB C 13 38.703 0.047 . . . . . . . 16 ILE CB . 51081 1 11 . 1 . 1 3 3 ILE N N 15 123.935 0.031 . . . . . . . 16 ILE N . 51081 1 12 . 1 . 1 4 4 ASP H H 1 8.248 0.049 . . . . . . . 17 ASP H . 51081 1 13 . 1 . 1 4 4 ASP C C 13 175.637 0.010 . . . . . . . 17 ASP C . 51081 1 14 . 1 . 1 4 4 ASP CA C 13 54.514 0.077 . . . . . . . 17 ASP CA . 51081 1 15 . 1 . 1 4 4 ASP CB C 13 41.688 0.600 . . . . . . . 17 ASP CB . 51081 1 16 . 1 . 1 4 4 ASP N N 15 124.121 0.200 . . . . . . . 17 ASP N . 51081 1 17 . 1 . 1 5 5 LEU H H 1 8.118 0.108 . . . . . . . 18 LEU H . 51081 1 18 . 1 . 1 5 5 LEU C C 13 176.686 0.017 . . . . . . . 18 LEU C . 51081 1 19 . 1 . 1 5 5 LEU CA C 13 54.328 0.835 . . . . . . . 18 LEU CA . 51081 1 20 . 1 . 1 5 5 LEU CB C 13 42.490 0.300 . . . . . . . 18 LEU CB . 51081 1 21 . 1 . 1 5 5 LEU N N 15 122.325 0.260 . . . . . . . 18 LEU N . 51081 1 22 . 1 . 1 6 6 ASP H H 1 8.347 0.001 . . . . . . . 19 ASP H . 51081 1 23 . 1 . 1 6 6 ASP C C 13 174.859 0.000 . . . . . . . 19 ASP C . 51081 1 24 . 1 . 1 6 6 ASP CA C 13 52.361 0.000 . . . . . . . 19 ASP CA . 51081 1 25 . 1 . 1 6 6 ASP CB C 13 41.315 0.000 . . . . . . . 19 ASP CB . 51081 1 26 . 1 . 1 6 6 ASP N N 15 123.021 0.044 . . . . . . . 19 ASP N . 51081 1 27 . 1 . 1 7 7 PRO C C 13 176.876 0.001 . . . . . . . 20 PRO C . 51081 1 28 . 1 . 1 7 7 PRO CA C 13 63.710 0.016 . . . . . . . 20 PRO CA . 51081 1 29 . 1 . 1 7 7 PRO CB C 13 32.071 0.021 . . . . . . . 20 PRO CB . 51081 1 30 . 1 . 1 8 8 ASP H H 1 8.381 0.002 . . . . . . . 21 ASP H . 51081 1 31 . 1 . 1 8 8 ASP C C 13 175.888 0.006 . . . . . . . 21 ASP C . 51081 1 32 . 1 . 1 8 8 ASP CA C 13 54.461 0.009 . . . . . . . 21 ASP CA . 51081 1 33 . 1 . 1 8 8 ASP CB C 13 40.999 0.019 . . . . . . . 21 ASP CB . 51081 1 34 . 1 . 1 8 8 ASP N N 15 118.917 0.043 . . . . . . . 21 ASP N . 51081 1 35 . 1 . 1 9 9 PHE H H 1 7.883 0.001 . . . . . . . 22 PHE H . 51081 1 36 . 1 . 1 9 9 PHE C C 13 175.145 0.006 . . . . . . . 22 PHE C . 51081 1 37 . 1 . 1 9 9 PHE CA C 13 58.024 0.021 . . . . . . . 22 PHE CA . 51081 1 38 . 1 . 1 9 9 PHE CB C 13 39.797 0.020 . . . . . . . 22 PHE CB . 51081 1 39 . 1 . 1 9 9 PHE N N 15 120.157 0.033 . . . . . . . 22 PHE N . 51081 1 40 . 1 . 1 10 10 GLU H H 1 8.126 0.001 . . . . . . . 23 GLU H . 51081 1 41 . 1 . 1 10 10 GLU C C 13 174.122 0.004 . . . . . . . 23 GLU C . 51081 1 42 . 1 . 1 10 10 GLU CA C 13 54.176 0.015 . . . . . . . 23 GLU CA . 51081 1 43 . 1 . 1 10 10 GLU CB C 13 30.037 0.011 . . . . . . . 23 GLU CB . 51081 1 44 . 1 . 1 10 10 GLU N N 15 124.413 0.034 . . . . . . . 23 GLU N . 51081 1 45 . 1 . 1 11 11 PRO C C 13 177.301 0.008 . . . . . . . 24 PRO C . 51081 1 46 . 1 . 1 11 11 PRO CA C 13 63.649 0.004 . . . . . . . 24 PRO CA . 51081 1 47 . 1 . 1 11 11 PRO CB C 13 31.966 0.012 . . . . . . . 24 PRO CB . 51081 1 48 . 1 . 1 12 12 GLN H H 1 8.577 0.001 . . . . . . . 25 GLN H . 51081 1 49 . 1 . 1 12 12 GLN C C 13 176.167 0.004 . . . . . . . 25 GLN C . 51081 1 50 . 1 . 1 12 12 GLN CA C 13 56.122 0.026 . . . . . . . 25 GLN CA . 51081 1 51 . 1 . 1 12 12 GLN CB C 13 29.168 0.024 . . . . . . . 25 GLN CB . 51081 1 52 . 1 . 1 12 12 GLN N N 15 119.297 0.040 . . . . . . . 25 GLN N . 51081 1 53 . 1 . 1 13 13 SER H H 1 8.240 0.001 . . . . . . . 26 SER H . 51081 1 54 . 1 . 1 13 13 SER C C 13 174.065 0.002 . . . . . . . 26 SER C . 51081 1 55 . 1 . 1 13 13 SER CA C 13 58.391 0.011 . . . . . . . 26 SER CA . 51081 1 56 . 1 . 1 13 13 SER CB C 13 63.904 0.017 . . . . . . . 26 SER CB . 51081 1 57 . 1 . 1 13 13 SER N N 15 116.348 0.038 . . . . . . . 26 SER N . 51081 1 58 . 1 . 1 14 14 ARG H H 1 8.161 0.002 . . . . . . . 27 ARG H . 51081 1 59 . 1 . 1 14 14 ARG C C 13 173.968 0.002 . . . . . . . 27 ARG C . 51081 1 60 . 1 . 1 14 14 ARG CA C 13 54.135 0.003 . . . . . . . 27 ARG CA . 51081 1 61 . 1 . 1 14 14 ARG CB C 13 30.300 0.016 . . . . . . . 27 ARG CB . 51081 1 62 . 1 . 1 14 14 ARG N N 15 123.419 0.043 . . . . . . . 27 ARG N . 51081 1 63 . 1 . 1 15 15 PRO C C 13 176.986 0.000 . . . . . . . 28 PRO C . 51081 1 64 . 1 . 1 15 15 PRO CA C 13 63.218 0.003 . . . . . . . 28 PRO CA . 51081 1 65 . 1 . 1 15 15 PRO CB C 13 32.090 0.177 . . . . . . . 28 PRO CB . 51081 1 66 . 1 . 1 16 16 ARG H H 1 8.530 0.001 . . . . . . . 29 ARG H . 51081 1 67 . 1 . 1 16 16 ARG C C 13 176.560 0.004 . . . . . . . 29 ARG C . 51081 1 68 . 1 . 1 16 16 ARG CA C 13 56.444 0.007 . . . . . . . 29 ARG CA . 51081 1 69 . 1 . 1 16 16 ARG CB C 13 30.769 0.031 . . . . . . . 29 ARG CB . 51081 1 70 . 1 . 1 16 16 ARG N N 15 121.638 0.043 . . . . . . . 29 ARG N . 51081 1 71 . 1 . 1 17 17 SER H H 1 8.319 0.001 . . . . . . . 30 SER H . 51081 1 72 . 1 . 1 17 17 SER C C 13 174.400 0.000 . . . . . . . 30 SER C . 51081 1 73 . 1 . 1 17 17 SER CA C 13 58.391 0.014 . . . . . . . 30 SER CA . 51081 1 74 . 1 . 1 17 17 SER CB C 13 63.744 0.013 . . . . . . . 30 SER CB . 51081 1 75 . 1 . 1 17 17 SER N N 15 116.412 0.027 . . . . . . . 30 SER N . 51081 1 76 . 1 . 1 18 18 CYS H H 1 8.329 0.003 . . . . . . . 31 CYS H . 51081 1 77 . 1 . 1 18 18 CYS C C 13 174.381 0.007 . . . . . . . 31 CYS C . 51081 1 78 . 1 . 1 18 18 CYS CA C 13 58.438 0.060 . . . . . . . 31 CYS CA . 51081 1 79 . 1 . 1 18 18 CYS CB C 13 28.018 0.063 . . . . . . . 31 CYS CB . 51081 1 80 . 1 . 1 18 18 CYS N N 15 120.949 0.035 . . . . . . . 31 CYS N . 51081 1 81 . 1 . 1 19 19 THR H H 1 8.052 0.002 . . . . . . . 32 THR H . 51081 1 82 . 1 . 1 19 19 THR C C 13 173.743 0.005 . . . . . . . 32 THR C . 51081 1 83 . 1 . 1 19 19 THR CA C 13 61.968 0.016 . . . . . . . 32 THR CA . 51081 1 84 . 1 . 1 19 19 THR CB C 13 69.817 0.060 . . . . . . . 32 THR CB . 51081 1 85 . 1 . 1 19 19 THR N N 15 116.142 0.039 . . . . . . . 32 THR N . 51081 1 86 . 1 . 1 20 20 TRP H H 1 8.071 0.002 . . . . . . . 33 TRP H . 51081 1 87 . 1 . 1 20 20 TRP C C 13 174.106 0.005 . . . . . . . 33 TRP C . 51081 1 88 . 1 . 1 20 20 TRP CA C 13 54.805 0.024 . . . . . . . 33 TRP CA . 51081 1 89 . 1 . 1 20 20 TRP CB C 13 29.169 0.011 . . . . . . . 33 TRP CB . 51081 1 90 . 1 . 1 20 20 TRP N N 15 124.692 0.042 . . . . . . . 33 TRP N . 51081 1 91 . 1 . 1 21 21 PRO C C 13 176.423 0.004 . . . . . . . 34 PRO C . 51081 1 92 . 1 . 1 21 21 PRO CA C 13 63.167 0.016 . . . . . . . 34 PRO CA . 51081 1 93 . 1 . 1 21 21 PRO CB C 13 31.946 0.001 . . . . . . . 34 PRO CB . 51081 1 94 . 1 . 1 22 22 LEU H H 1 8.141 0.002 . . . . . . . 35 LEU H . 51081 1 95 . 1 . 1 22 22 LEU C C 13 175.365 0.000 . . . . . . . 35 LEU C . 51081 1 96 . 1 . 1 22 22 LEU CA C 13 52.980 0.000 . . . . . . . 35 LEU CA . 51081 1 97 . 1 . 1 22 22 LEU CB C 13 41.918 0.000 . . . . . . . 35 LEU CB . 51081 1 98 . 1 . 1 22 22 LEU N N 15 123.327 0.036 . . . . . . . 35 LEU N . 51081 1 99 . 1 . 1 23 23 PRO C C 13 175.732 0.000 . . . . . . . 36 PRO C . 51081 1 100 . 1 . 1 23 23 PRO CA C 13 63.133 0.000 . . . . . . . 36 PRO CA . 51081 1 101 . 1 . 1 23 23 PRO CB C 13 31.933 0.039 . . . . . . . 36 PRO CB . 51081 1 102 . 1 . 1 24 24 ARG H H 1 8.107 0.002 . . . . . . . 37 ARG H . 51081 1 103 . 1 . 1 24 24 ARG C C 13 174.846 0.000 . . . . . . . 37 ARG C . 51081 1 104 . 1 . 1 24 24 ARG CA C 13 53.831 0.000 . . . . . . . 37 ARG CA . 51081 1 105 . 1 . 1 24 24 ARG CB C 13 31.170 0.000 . . . . . . . 37 ARG CB . 51081 1 106 . 1 . 1 24 24 ARG N N 15 120.555 0.043 . . . . . . . 37 ARG N . 51081 1 107 . 1 . 1 25 25 PRO C C 13 176.925 0.006 . . . . . . . 38 PRO C . 51081 1 108 . 1 . 1 25 25 PRO CA C 13 63.476 0.004 . . . . . . . 38 PRO CA . 51081 1 109 . 1 . 1 25 25 PRO CB C 13 31.991 0.009 . . . . . . . 38 PRO CB . 51081 1 110 . 1 . 1 26 26 GLU H H 1 8.677 0.002 . . . . . . . 39 GLU H . 51081 1 111 . 1 . 1 26 26 GLU C C 13 176.546 0.007 . . . . . . . 39 GLU C . 51081 1 112 . 1 . 1 26 26 GLU CA C 13 56.926 0.012 . . . . . . . 39 GLU CA . 51081 1 113 . 1 . 1 26 26 GLU CB C 13 29.919 0.019 . . . . . . . 39 GLU CB . 51081 1 114 . 1 . 1 26 26 GLU N N 15 120.853 0.035 . . . . . . . 39 GLU N . 51081 1 115 . 1 . 1 27 27 ILE H H 1 8.059 0.001 . . . . . . . 40 ILE H . 51081 1 116 . 1 . 1 27 27 ILE C C 13 175.894 0.007 . . . . . . . 40 ILE C . 51081 1 117 . 1 . 1 27 27 ILE CA C 13 61.013 0.016 . . . . . . . 40 ILE CA . 51081 1 118 . 1 . 1 27 27 ILE CB C 13 38.626 0.054 . . . . . . . 40 ILE CB . 51081 1 119 . 1 . 1 27 27 ILE N N 15 121.450 0.036 . . . . . . . 40 ILE N . 51081 1 120 . 1 . 1 28 28 ALA H H 1 8.312 0.001 . . . . . . . 41 ALA H . 51081 1 121 . 1 . 1 28 28 ALA C C 13 177.326 0.019 . . . . . . . 41 ALA C . 51081 1 122 . 1 . 1 28 28 ALA CA C 13 52.659 0.081 . . . . . . . 41 ALA CA . 51081 1 123 . 1 . 1 28 28 ALA CB C 13 19.248 0.024 . . . . . . . 41 ALA CB . 51081 1 124 . 1 . 1 28 28 ALA N N 15 127.545 0.092 . . . . . . . 41 ALA N . 51081 1 125 . 1 . 1 29 29 ASN H H 1 8.359 0.002 . . . . . . . 42 ASN H . 51081 1 126 . 1 . 1 29 29 ASN C C 13 174.752 0.010 . . . . . . . 42 ASN C . 51081 1 127 . 1 . 1 29 29 ASN CA C 13 53.172 0.040 . . . . . . . 42 ASN CA . 51081 1 128 . 1 . 1 29 29 ASN CB C 13 38.852 0.033 . . . . . . . 42 ASN CB . 51081 1 129 . 1 . 1 29 29 ASN N N 15 117.583 0.037 . . . . . . . 42 ASN N . 51081 1 130 . 1 . 1 30 30 GLN H H 1 8.244 0.001 . . . . . . . 43 GLN H . 51081 1 131 . 1 . 1 30 30 GLN C C 13 173.851 0.003 . . . . . . . 43 GLN C . 51081 1 132 . 1 . 1 30 30 GLN CA C 13 53.689 0.025 . . . . . . . 43 GLN CA . 51081 1 133 . 1 . 1 30 30 GLN CB C 13 28.974 0.004 . . . . . . . 43 GLN CB . 51081 1 134 . 1 . 1 30 30 GLN N N 15 121.254 0.033 . . . . . . . 43 GLN N . 51081 1 135 . 1 . 1 31 31 PRO C C 13 176.861 0.012 . . . . . . . 44 PRO C . 51081 1 136 . 1 . 1 31 31 PRO CA C 13 63.266 0.061 . . . . . . . 44 PRO CA . 51081 1 137 . 1 . 1 31 31 PRO CB C 13 32.085 0.004 . . . . . . . 44 PRO CB . 51081 1 138 . 1 . 1 32 32 SER H H 1 8.448 0.001 . . . . . . . 45 SER H . 51081 1 139 . 1 . 1 32 32 SER C C 13 174.146 0.004 . . . . . . . 45 SER C . 51081 1 140 . 1 . 1 32 32 SER CA C 13 58.424 0.025 . . . . . . . 45 SER CA . 51081 1 141 . 1 . 1 32 32 SER CB C 13 64.019 0.026 . . . . . . . 45 SER CB . 51081 1 142 . 1 . 1 32 32 SER N N 15 116.469 0.038 . . . . . . . 45 SER N . 51081 1 143 . 1 . 1 33 33 GLU H H 1 8.317 0.001 . . . . . . . 46 GLU H . 51081 1 144 . 1 . 1 33 33 GLU C C 13 173.941 0.003 . . . . . . . 46 GLU C . 51081 1 145 . 1 . 1 33 33 GLU CA C 13 54.315 0.005 . . . . . . . 46 GLU CA . 51081 1 146 . 1 . 1 33 33 GLU CB C 13 29.740 0.012 . . . . . . . 46 GLU CB . 51081 1 147 . 1 . 1 33 33 GLU N N 15 123.405 0.032 . . . . . . . 46 GLU N . 51081 1 148 . 1 . 1 35 35 PRO C C 13 176.790 0.007 . . . . . . . 48 PRO C . 51081 1 149 . 1 . 1 35 35 PRO CA C 13 62.870 0.019 . . . . . . . 48 PRO CA . 51081 1 150 . 1 . 1 35 35 PRO CB C 13 32.022 0.018 . . . . . . . 48 PRO CB . 51081 1 151 . 1 . 1 36 36 GLU H H 1 8.456 0.002 . . . . . . . 49 GLU H . 51081 1 152 . 1 . 1 36 36 GLU C C 13 176.362 0.010 . . . . . . . 49 GLU C . 51081 1 153 . 1 . 1 36 36 GLU CA C 13 56.674 0.008 . . . . . . . 49 GLU CA . 51081 1 154 . 1 . 1 36 36 GLU CB C 13 30.375 0.030 . . . . . . . 49 GLU CB . 51081 1 155 . 1 . 1 36 36 GLU N N 15 121.051 0.060 . . . . . . . 49 GLU N . 51081 1 156 . 1 . 1 37 37 VAL H H 1 8.151 0.001 . . . . . . . 50 VAL H . 51081 1 157 . 1 . 1 37 37 VAL C C 13 175.731 0.006 . . . . . . . 50 VAL C . 51081 1 158 . 1 . 1 37 37 VAL CA C 13 61.937 0.019 . . . . . . . 50 VAL CA . 51081 1 159 . 1 . 1 37 37 VAL CB C 13 33.108 0.006 . . . . . . . 50 VAL CB . 51081 1 160 . 1 . 1 37 37 VAL N N 15 121.145 0.034 . . . . . . . 50 VAL N . 51081 1 161 . 1 . 1 38 38 GLU H H 1 8.528 0.001 . . . . . . . 51 GLU H . 51081 1 162 . 1 . 1 38 38 GLU C C 13 174.510 0.006 . . . . . . . 51 GLU C . 51081 1 163 . 1 . 1 38 38 GLU CA C 13 54.383 0.003 . . . . . . . 51 GLU CA . 51081 1 164 . 1 . 1 38 38 GLU CB C 13 29.738 0.019 . . . . . . . 51 GLU CB . 51081 1 165 . 1 . 1 38 38 GLU N N 15 126.433 0.034 . . . . . . . 51 GLU N . 51081 1 166 . 1 . 1 39 39 PRO C C 13 176.393 0.000 . . . . . . . 52 PRO C . 51081 1 167 . 1 . 1 39 39 PRO CA C 13 63.279 0.007 . . . . . . . 52 PRO CA . 51081 1 168 . 1 . 1 39 39 PRO CB C 13 32.149 0.008 . . . . . . . 52 PRO CB . 51081 1 169 . 1 . 1 40 40 ASP H H 1 8.463 0.002 . . . . . . . 53 ASP H . 51081 1 170 . 1 . 1 40 40 ASP C C 13 176.446 0.023 . . . . . . . 53 ASP C . 51081 1 171 . 1 . 1 40 40 ASP CA C 13 54.196 0.014 . . . . . . . 53 ASP CA . 51081 1 172 . 1 . 1 40 40 ASP CB C 13 41.116 0.016 . . . . . . . 53 ASP CB . 51081 1 173 . 1 . 1 40 40 ASP N N 15 120.343 0.040 . . . . . . . 53 ASP N . 51081 1 174 . 1 . 1 41 41 LEU H H 1 8.328 0.001 . . . . . . . 54 LEU H . 51081 1 175 . 1 . 1 41 41 LEU C C 13 178.146 0.005 . . . . . . . 54 LEU C . 51081 1 176 . 1 . 1 41 41 LEU CA C 13 55.548 0.094 . . . . . . . 54 LEU CA . 51081 1 177 . 1 . 1 41 41 LEU CB C 13 42.093 0.015 . . . . . . . 54 LEU CB . 51081 1 178 . 1 . 1 41 41 LEU N N 15 123.652 0.041 . . . . . . . 54 LEU N . 51081 1 179 . 1 . 1 42 42 GLY H H 1 8.455 0.002 . . . . . . . 55 GLY H . 51081 1 180 . 1 . 1 42 42 GLY C C 13 174.257 0.023 . . . . . . . 55 GLY C . 51081 1 181 . 1 . 1 42 42 GLY CA C 13 45.415 0.026 . . . . . . . 55 GLY CA . 51081 1 182 . 1 . 1 42 42 GLY N N 15 108.932 0.043 . . . . . . . 55 GLY N . 51081 1 183 . 1 . 1 43 43 GLU H H 1 8.247 0.002 . . . . . . . 56 GLU H . 51081 1 184 . 1 . 1 43 43 GLU C C 13 176.636 0.009 . . . . . . . 56 GLU C . 51081 1 185 . 1 . 1 43 43 GLU CA C 13 56.718 0.019 . . . . . . . 56 GLU CA . 51081 1 186 . 1 . 1 43 43 GLU CB C 13 30.323 0.044 . . . . . . . 56 GLU CB . 51081 1 187 . 1 . 1 43 43 GLU N N 15 120.561 0.042 . . . . . . . 56 GLU N . 51081 1 188 . 1 . 1 44 44 LYS H H 1 8.348 0.002 . . . . . . . 57 LYS H . 51081 1 189 . 1 . 1 44 44 LYS C C 13 176.498 0.007 . . . . . . . 57 LYS C . 51081 1 190 . 1 . 1 44 44 LYS CA C 13 56.414 0.038 . . . . . . . 57 LYS CA . 51081 1 191 . 1 . 1 44 44 LYS CB C 13 32.878 0.018 . . . . . . . 57 LYS CB . 51081 1 192 . 1 . 1 44 44 LYS N N 15 122.310 0.044 . . . . . . . 57 LYS N . 51081 1 193 . 1 . 1 45 45 VAL H H 1 8.066 0.002 . . . . . . . 58 VAL H . 51081 1 194 . 1 . 1 45 45 VAL C C 13 175.961 0.005 . . . . . . . 58 VAL C . 51081 1 195 . 1 . 1 45 45 VAL CA C 13 62.387 0.051 . . . . . . . 58 VAL CA . 51081 1 196 . 1 . 1 45 45 VAL CB C 13 32.714 0.055 . . . . . . . 58 VAL CB . 51081 1 197 . 1 . 1 45 45 VAL N N 15 120.657 0.036 . . . . . . . 58 VAL N . 51081 1 198 . 1 . 1 46 46 HIS H H 1 8.559 0.004 . . . . . . . 59 HIS H . 51081 1 199 . 1 . 1 46 46 HIS C C 13 175.079 0.003 . . . . . . . 59 HIS C . 51081 1 200 . 1 . 1 46 46 HIS CA C 13 55.802 0.042 . . . . . . . 59 HIS CA . 51081 1 201 . 1 . 1 46 46 HIS CB C 13 29.861 0.038 . . . . . . . 59 HIS CB . 51081 1 202 . 1 . 1 46 46 HIS N N 15 123.255 0.031 . . . . . . . 59 HIS N . 51081 1 203 . 1 . 1 47 47 THR H H 1 8.208 0.001 . . . . . . . 60 THR H . 51081 1 204 . 1 . 1 47 47 THR C C 13 174.396 0.012 . . . . . . . 60 THR C . 51081 1 205 . 1 . 1 47 47 THR CA C 13 62.009 0.032 . . . . . . . 60 THR CA . 51081 1 206 . 1 . 1 47 47 THR CB C 13 69.957 0.013 . . . . . . . 60 THR CB . 51081 1 207 . 1 . 1 47 47 THR N N 15 116.392 0.040 . . . . . . . 60 THR N . 51081 1 208 . 1 . 1 48 48 GLU H H 1 8.586 0.001 . . . . . . . 61 GLU H . 51081 1 209 . 1 . 1 48 48 GLU C C 13 176.907 0.004 . . . . . . . 61 GLU C . 51081 1 210 . 1 . 1 48 48 GLU CA C 13 56.904 0.010 . . . . . . . 61 GLU CA . 51081 1 211 . 1 . 1 48 48 GLU CB C 13 30.133 0.014 . . . . . . . 61 GLU CB . 51081 1 212 . 1 . 1 48 48 GLU N N 15 123.414 0.040 . . . . . . . 61 GLU N . 51081 1 213 . 1 . 1 49 49 GLY H H 1 8.487 0.002 . . . . . . . 62 GLY H . 51081 1 214 . 1 . 1 49 49 GLY C C 13 174.011 0.016 . . . . . . . 62 GLY C . 51081 1 215 . 1 . 1 49 49 GLY CA C 13 45.349 0.007 . . . . . . . 62 GLY CA . 51081 1 216 . 1 . 1 49 49 GLY N N 15 110.236 0.034 . . . . . . . 62 GLY N . 51081 1 217 . 1 . 1 50 50 ARG H H 1 8.183 0.003 . . . . . . . 63 ARG H . 51081 1 218 . 1 . 1 50 50 ARG C C 13 176.275 0.003 . . . . . . . 63 ARG C . 51081 1 219 . 1 . 1 50 50 ARG CA C 13 55.905 0.000 . . . . . . . 63 ARG CA . 51081 1 220 . 1 . 1 50 50 ARG CB C 13 31.047 0.051 . . . . . . . 63 ARG CB . 51081 1 221 . 1 . 1 50 50 ARG N N 15 120.600 0.020 . . . . . . . 63 ARG N . 51081 1 222 . 1 . 1 51 51 SER H H 1 8.457 0.004 . . . . . . . 64 SER H . 51081 1 223 . 1 . 1 51 51 SER C C 13 174.021 0.023 . . . . . . . 64 SER C . 51081 1 224 . 1 . 1 51 51 SER CA C 13 58.266 0.027 . . . . . . . 64 SER CA . 51081 1 225 . 1 . 1 51 51 SER CB C 13 63.881 0.087 . . . . . . . 64 SER CB . 51081 1 226 . 1 . 1 51 51 SER N N 15 117.745 0.041 . . . . . . . 64 SER N . 51081 1 227 . 1 . 1 52 52 GLU H H 1 8.370 0.001 . . . . . . . 65 GLU H . 51081 1 228 . 1 . 1 52 52 GLU C C 13 174.440 0.000 . . . . . . . 65 GLU C . 51081 1 229 . 1 . 1 52 52 GLU CA C 13 54.410 0.000 . . . . . . . 65 GLU CA . 51081 1 230 . 1 . 1 52 52 GLU CB C 13 29.742 0.000 . . . . . . . 65 GLU CB . 51081 1 231 . 1 . 1 52 52 GLU N N 15 123.912 0.041 . . . . . . . 65 GLU N . 51081 1 232 . 1 . 1 53 53 PRO C C 13 176.501 0.006 . . . . . . . 66 PRO C . 51081 1 233 . 1 . 1 53 53 PRO CA C 13 63.177 0.014 . . . . . . . 66 PRO CA . 51081 1 234 . 1 . 1 53 53 PRO CB C 13 32.022 0.007 . . . . . . . 66 PRO CB . 51081 1 235 . 1 . 1 54 54 ILE H H 1 8.221 0.003 . . . . . . . 67 ILE H . 51081 1 236 . 1 . 1 54 54 ILE C C 13 175.884 0.011 . . . . . . . 67 ILE C . 51081 1 237 . 1 . 1 54 54 ILE CA C 13 61.132 0.012 . . . . . . . 67 ILE CA . 51081 1 238 . 1 . 1 54 54 ILE CB C 13 38.723 0.041 . . . . . . . 67 ILE CB . 51081 1 239 . 1 . 1 54 54 ILE N N 15 121.243 0.038 . . . . . . . 67 ILE N . 51081 1 240 . 1 . 1 55 55 LEU H H 1 8.257 0.049 . . . . . . . 68 LEU H . 51081 1 241 . 1 . 1 55 55 LEU C C 13 176.145 0.419 . . . . . . . 68 LEU C . 51081 1 242 . 1 . 1 55 55 LEU CA C 13 54.518 0.078 . . . . . . . 68 LEU CA . 51081 1 243 . 1 . 1 55 55 LEU CB C 13 41.680 0.605 . . . . . . . 68 LEU CB . 51081 1 244 . 1 . 1 55 55 LEU N N 15 127.045 0.193 . . . . . . . 68 LEU N . 51081 1 245 . 1 . 1 56 56 LEU H H 1 8.173 0.110 . . . . . . . 69 LEU H . 51081 1 246 . 1 . 1 56 56 LEU C C 13 175.944 0.754 . . . . . . . 69 LEU C . 51081 1 247 . 1 . 1 56 56 LEU CA C 13 53.853 0.961 . . . . . . . 69 LEU CA . 51081 1 248 . 1 . 1 56 56 LEU CB C 13 42.032 0.000 . . . . . . . 69 LEU CB . 51081 1 249 . 1 . 1 56 56 LEU N N 15 125.161 0.207 . . . . . . . 69 LEU N . 51081 1 250 . 1 . 1 57 57 PRO C C 13 176.880 0.151 . . . . . . . 70 PRO C . 51081 1 251 . 1 . 1 57 57 PRO CA C 13 63.318 0.000 . . . . . . . 70 PRO CA . 51081 1 252 . 1 . 1 57 57 PRO CB C 13 31.971 0.010 . . . . . . . 70 PRO CB . 51081 1 253 . 1 . 1 58 58 SER H H 1 8.299 0.002 . . . . . . . 71 SER H . 51081 1 254 . 1 . 1 58 58 SER C C 13 174.414 0.000 . . . . . . . 71 SER C . 51081 1 255 . 1 . 1 58 58 SER CA C 13 58.425 0.023 . . . . . . . 71 SER CA . 51081 1 256 . 1 . 1 58 58 SER CB C 13 63.882 0.027 . . . . . . . 71 SER CB . 51081 1 257 . 1 . 1 58 58 SER N N 15 115.540 0.033 . . . . . . . 71 SER N . 51081 1 258 . 1 . 1 59 59 ARG H H 1 8.283 0.001 . . . . . . . 72 ARG H . 51081 1 259 . 1 . 1 59 59 ARG C C 13 175.823 0.003 . . . . . . . 72 ARG C . 51081 1 260 . 1 . 1 59 59 ARG CA C 13 55.782 0.010 . . . . . . . 72 ARG CA . 51081 1 261 . 1 . 1 59 59 ARG CB C 13 30.856 0.019 . . . . . . . 72 ARG CB . 51081 1 262 . 1 . 1 59 59 ARG N N 15 122.669 0.035 . . . . . . . 72 ARG N . 51081 1 263 . 1 . 1 60 60 LEU H H 1 8.297 0.002 . . . . . . . 73 LEU H . 51081 1 264 . 1 . 1 60 60 LEU C C 13 175.484 0.349 . . . . . . . 73 LEU C . 51081 1 265 . 1 . 1 60 60 LEU CA C 13 53.097 0.004 . . . . . . . 73 LEU CA . 51081 1 266 . 1 . 1 60 60 LEU CB C 13 41.623 0.003 . . . . . . . 73 LEU CB . 51081 1 267 . 1 . 1 60 60 LEU N N 15 124.941 0.040 . . . . . . . 73 LEU N . 51081 1 268 . 1 . 1 61 61 PRO C C 13 176.413 0.006 . . . . . . . 74 PRO C . 51081 1 269 . 1 . 1 61 61 PRO CA C 13 62.877 0.054 . . . . . . . 74 PRO CA . 51081 1 270 . 1 . 1 61 61 PRO CB C 13 31.966 0.010 . . . . . . . 74 PRO CB . 51081 1 271 . 1 . 1 62 62 GLU H H 1 8.299 0.002 . . . . . . . 75 GLU H . 51081 1 272 . 1 . 1 62 62 GLU C C 13 174.445 0.000 . . . . . . . 75 GLU C . 51081 1 273 . 1 . 1 62 62 GLU CA C 13 54.023 0.000 . . . . . . . 75 GLU CA . 51081 1 274 . 1 . 1 62 62 GLU CB C 13 30.226 0.000 . . . . . . . 75 GLU CB . 51081 1 275 . 1 . 1 62 62 GLU N N 15 122.062 0.068 . . . . . . . 75 GLU N . 51081 1 276 . 1 . 1 63 63 PRO C C 13 176.803 0.329 . . . . . . . 76 PRO C . 51081 1 277 . 1 . 1 63 63 PRO CA C 13 63.324 0.000 . . . . . . . 76 PRO CA . 51081 1 278 . 1 . 1 63 63 PRO CB C 13 31.950 0.029 . . . . . . . 76 PRO CB . 51081 1 279 . 1 . 1 64 64 ALA H H 1 8.472 0.001 . . . . . . . 77 ALA H . 51081 1 280 . 1 . 1 64 64 ALA C C 13 178.306 0.005 . . . . . . . 77 ALA C . 51081 1 281 . 1 . 1 64 64 ALA CA C 13 52.737 0.024 . . . . . . . 77 ALA CA . 51081 1 282 . 1 . 1 64 64 ALA CB C 13 19.156 0.027 . . . . . . . 77 ALA CB . 51081 1 283 . 1 . 1 64 64 ALA N N 15 124.632 0.040 . . . . . . . 77 ALA N . 51081 1 284 . 1 . 1 65 65 GLY H H 1 8.395 0.001 . . . . . . . 78 GLY H . 51081 1 285 . 1 . 1 65 65 GLY C C 13 174.401 0.009 . . . . . . . 78 GLY C . 51081 1 286 . 1 . 1 65 65 GLY CA C 13 45.194 0.047 . . . . . . . 78 GLY CA . 51081 1 287 . 1 . 1 65 65 GLY N N 15 108.208 0.036 . . . . . . . 78 GLY N . 51081 1 288 . 1 . 1 66 66 GLY H H 1 8.086 0.028 . . . . . . . 79 GLY H . 51081 1 289 . 1 . 1 66 66 GLY C C 13 174.394 0.000 . . . . . . . 79 GLY C . 51081 1 290 . 1 . 1 66 66 GLY CA C 13 44.471 0.006 . . . . . . . 79 GLY CA . 51081 1 291 . 1 . 1 66 66 GLY N N 15 108.660 0.127 . . . . . . . 79 GLY N . 51081 1 292 . 1 . 1 67 67 PRO C C 13 176.960 0.003 . . . . . . . 80 PRO C . 51081 1 293 . 1 . 1 67 67 PRO CA C 13 63.180 0.023 . . . . . . . 80 PRO CA . 51081 1 294 . 1 . 1 67 67 PRO CB C 13 32.059 0.024 . . . . . . . 80 PRO CB . 51081 1 295 . 1 . 1 68 68 GLN H H 1 8.500 0.002 . . . . . . . 81 GLN H . 51081 1 296 . 1 . 1 68 68 GLN C C 13 174.032 0.000 . . . . . . . 81 GLN C . 51081 1 297 . 1 . 1 68 68 GLN CA C 13 53.583 0.000 . . . . . . . 81 GLN CA . 51081 1 298 . 1 . 1 68 68 GLN CB C 13 29.124 0.000 . . . . . . . 81 GLN CB . 51081 1 299 . 1 . 1 68 68 GLN N N 15 121.688 0.041 . . . . . . . 81 GLN N . 51081 1 300 . 1 . 1 69 69 PRO C C 13 177.527 0.006 . . . . . . . 82 PRO C . 51081 1 301 . 1 . 1 69 69 PRO CA C 13 63.588 0.011 . . . . . . . 82 PRO CA . 51081 1 302 . 1 . 1 69 69 PRO CB C 13 32.060 0.041 . . . . . . . 82 PRO CB . 51081 1 303 . 1 . 1 70 70 GLY H H 1 8.461 0.003 . . . . . . . 83 GLY H . 51081 1 304 . 1 . 1 70 70 GLY C C 13 174.219 0.010 . . . . . . . 83 GLY C . 51081 1 305 . 1 . 1 70 70 GLY CA C 13 45.302 0.038 . . . . . . . 83 GLY CA . 51081 1 306 . 1 . 1 70 70 GLY N N 15 109.025 0.047 . . . . . . . 83 GLY N . 51081 1 307 . 1 . 1 71 71 ILE H H 1 7.939 0.001 . . . . . . . 84 ILE H . 51081 1 308 . 1 . 1 71 71 ILE C C 13 176.420 0.005 . . . . . . . 84 ILE C . 51081 1 309 . 1 . 1 71 71 ILE CA C 13 61.175 0.023 . . . . . . . 84 ILE CA . 51081 1 310 . 1 . 1 71 71 ILE CB C 13 38.589 0.060 . . . . . . . 84 ILE CB . 51081 1 311 . 1 . 1 71 71 ILE N N 15 119.976 0.036 . . . . . . . 84 ILE N . 51081 1 312 . 1 . 1 72 72 LEU H H 1 8.353 0.001 . . . . . . . 85 LEU H . 51081 1 313 . 1 . 1 72 72 LEU C C 13 177.787 0.009 . . . . . . . 85 LEU C . 51081 1 314 . 1 . 1 72 72 LEU CA C 13 55.536 0.022 . . . . . . . 85 LEU CA . 51081 1 315 . 1 . 1 72 72 LEU CB C 13 42.198 0.011 . . . . . . . 85 LEU CB . 51081 1 316 . 1 . 1 72 72 LEU N N 15 125.714 0.031 . . . . . . . 85 LEU N . 51081 1 317 . 1 . 1 73 73 GLY H H 1 8.354 0.037 . . . . . . . 86 GLY H . 51081 1 318 . 1 . 1 73 73 GLY C C 13 173.703 0.007 . . . . . . . 86 GLY C . 51081 1 319 . 1 . 1 73 73 GLY CA C 13 45.248 0.083 . . . . . . . 86 GLY CA . 51081 1 320 . 1 . 1 73 73 GLY N N 15 109.639 0.260 . . . . . . . 86 GLY N . 51081 1 321 . 1 . 1 74 74 ALA H H 1 8.090 0.049 . . . . . . . 87 ALA H . 51081 1 322 . 1 . 1 74 74 ALA C C 13 177.859 0.004 . . . . . . . 87 ALA C . 51081 1 323 . 1 . 1 74 74 ALA CA C 13 52.465 0.007 . . . . . . . 87 ALA CA . 51081 1 324 . 1 . 1 74 74 ALA CB C 13 19.363 0.025 . . . . . . . 87 ALA CB . 51081 1 325 . 1 . 1 74 74 ALA N N 15 123.556 0.154 . . . . . . . 87 ALA N . 51081 1 326 . 1 . 1 75 75 VAL H H 1 8.220 0.002 . . . . . . . 88 VAL H . 51081 1 327 . 1 . 1 75 75 VAL C C 13 176.430 0.003 . . . . . . . 88 VAL C . 51081 1 328 . 1 . 1 75 75 VAL CA C 13 62.364 0.052 . . . . . . . 88 VAL CA . 51081 1 329 . 1 . 1 75 75 VAL CB C 13 32.669 0.029 . . . . . . . 88 VAL CB . 51081 1 330 . 1 . 1 75 75 VAL N N 15 119.355 0.033 . . . . . . . 88 VAL N . 51081 1 331 . 1 . 1 76 76 THR H H 1 8.183 0.002 . . . . . . . 89 THR H . 51081 1 332 . 1 . 1 76 76 THR C C 13 174.636 0.015 . . . . . . . 89 THR C . 51081 1 333 . 1 . 1 76 76 THR CA C 13 61.680 0.055 . . . . . . . 89 THR CA . 51081 1 334 . 1 . 1 76 76 THR CB C 13 70.116 0.012 . . . . . . . 89 THR CB . 51081 1 335 . 1 . 1 76 76 THR N N 15 117.099 0.032 . . . . . . . 89 THR N . 51081 1 336 . 1 . 1 77 77 GLY H H 1 8.223 0.001 . . . . . . . 90 GLY H . 51081 1 337 . 1 . 1 77 77 GLY C C 13 171.656 0.000 . . . . . . . 90 GLY C . 51081 1 338 . 1 . 1 77 77 GLY CA C 13 44.719 0.004 . . . . . . . 90 GLY CA . 51081 1 339 . 1 . 1 77 77 GLY N N 15 111.127 0.038 . . . . . . . 90 GLY N . 51081 1 340 . 1 . 1 78 78 PRO C C 13 176.859 0.004 . . . . . . . 91 PRO C . 51081 1 341 . 1 . 1 78 78 PRO CA C 13 63.037 0.008 . . . . . . . 91 PRO CA . 51081 1 342 . 1 . 1 78 78 PRO CB C 13 32.104 0.000 . . . . . . . 91 PRO CB . 51081 1 343 . 1 . 1 79 79 ARG H H 1 8.438 0.002 . . . . . . . 92 ARG H . 51081 1 344 . 1 . 1 79 79 ARG C C 13 176.385 0.006 . . . . . . . 92 ARG C . 51081 1 345 . 1 . 1 79 79 ARG CA C 13 56.133 0.025 . . . . . . . 92 ARG CA . 51081 1 346 . 1 . 1 79 79 ARG CB C 13 30.724 0.005 . . . . . . . 92 ARG CB . 51081 1 347 . 1 . 1 79 79 ARG N N 15 121.559 0.044 . . . . . . . 92 ARG N . 51081 1 348 . 1 . 1 80 80 LYS H H 1 8.424 0.002 . . . . . . . 93 LYS H . 51081 1 349 . 1 . 1 80 80 LYS C C 13 177.093 0.002 . . . . . . . 93 LYS C . 51081 1 350 . 1 . 1 80 80 LYS CA C 13 56.492 0.113 . . . . . . . 93 LYS CA . 51081 1 351 . 1 . 1 80 80 LYS CB C 13 32.987 0.004 . . . . . . . 93 LYS CB . 51081 1 352 . 1 . 1 80 80 LYS N N 15 123.007 0.039 . . . . . . . 93 LYS N . 51081 1 353 . 1 . 1 81 81 GLY H H 1 8.510 0.008 . . . . . . . 94 GLY H . 51081 1 354 . 1 . 1 81 81 GLY C C 13 174.629 0.001 . . . . . . . 94 GLY C . 51081 1 355 . 1 . 1 81 81 GLY CA C 13 45.317 0.015 . . . . . . . 94 GLY CA . 51081 1 356 . 1 . 1 81 81 GLY N N 15 110.568 0.127 . . . . . . . 94 GLY N . 51081 1 357 . 1 . 1 82 82 GLY H H 1 8.311 0.001 . . . . . . . 95 GLY H . 51081 1 358 . 1 . 1 82 82 GLY C C 13 174.229 0.009 . . . . . . . 95 GLY C . 51081 1 359 . 1 . 1 82 82 GLY CA C 13 45.207 0.016 . . . . . . . 95 GLY CA . 51081 1 360 . 1 . 1 82 82 GLY N N 15 108.811 0.030 . . . . . . . 95 GLY N . 51081 1 361 . 1 . 1 83 83 SER H H 1 8.302 0.001 . . . . . . . 96 SER H . 51081 1 362 . 1 . 1 83 83 SER C C 13 174.564 0.000 . . . . . . . 96 SER C . 51081 1 363 . 1 . 1 83 83 SER CA C 13 58.474 0.037 . . . . . . . 96 SER CA . 51081 1 364 . 1 . 1 83 83 SER CB C 13 63.973 0.028 . . . . . . . 96 SER CB . 51081 1 365 . 1 . 1 83 83 SER N N 15 115.689 0.077 . . . . . . . 96 SER N . 51081 1 366 . 1 . 1 84 84 ARG H H 1 8.409 0.008 . . . . . . . 97 ARG H . 51081 1 367 . 1 . 1 84 84 ARG C C 13 176.134 0.042 . . . . . . . 97 ARG C . 51081 1 368 . 1 . 1 84 84 ARG CA C 13 55.953 0.000 . . . . . . . 97 ARG CA . 51081 1 369 . 1 . 1 84 84 ARG CB C 13 30.738 0.003 . . . . . . . 97 ARG CB . 51081 1 370 . 1 . 1 84 84 ARG N N 15 122.894 0.054 . . . . . . . 97 ARG N . 51081 1 371 . 1 . 1 85 85 ARG H H 1 8.311 0.002 . . . . . . . 98 ARG H . 51081 1 372 . 1 . 1 85 85 ARG C C 13 175.792 0.008 . . . . . . . 98 ARG C . 51081 1 373 . 1 . 1 85 85 ARG CA C 13 56.909 0.038 . . . . . . . 98 ARG CA . 51081 1 374 . 1 . 1 85 85 ARG CB C 13 30.809 0.040 . . . . . . . 98 ARG CB . 51081 1 375 . 1 . 1 85 85 ARG N N 15 121.788 0.034 . . . . . . . 98 ARG N . 51081 1 376 . 1 . 1 86 86 ASN H H 1 7.860 0.003 . . . . . . . 99 ASN H . 51081 1 377 . 1 . 1 86 86 ASN C C 13 175.251 0.000 . . . . . . . 99 ASN C . 51081 1 378 . 1 . 1 86 86 ASN CA C 13 52.029 0.045 . . . . . . . 99 ASN CA . 51081 1 379 . 1 . 1 86 86 ASN CB C 13 39.010 0.023 . . . . . . . 99 ASN CB . 51081 1 380 . 1 . 1 86 86 ASN N N 15 117.821 0.032 . . . . . . . 99 ASN N . 51081 1 381 . 1 . 1 88 88 TRP C C 13 175.728 0.024 . . . . . . . 101 TRP C . 51081 1 382 . 1 . 1 88 88 TRP CA C 13 56.970 0.000 . . . . . . . 101 TRP CA . 51081 1 383 . 1 . 1 88 88 TRP CB C 13 29.022 0.000 . . . . . . . 101 TRP CB . 51081 1 384 . 1 . 1 89 89 GLY H H 1 7.395 0.006 . . . . . . . 102 GLY H . 51081 1 385 . 1 . 1 89 89 GLY C C 13 173.229 0.000 . . . . . . . 102 GLY C . 51081 1 386 . 1 . 1 89 89 GLY CA C 13 44.770 0.061 . . . . . . . 102 GLY CA . 51081 1 387 . 1 . 1 89 89 GLY N N 15 110.022 0.072 . . . . . . . 102 GLY N . 51081 1 388 . 1 . 1 91 91 GLN C C 13 175.968 0.000 . . . . . . . 104 GLN C . 51081 1 389 . 1 . 1 91 91 GLN CA C 13 56.270 0.023 . . . . . . . 104 GLN CA . 51081 1 390 . 1 . 1 91 91 GLN CB C 13 30.300 0.083 . . . . . . . 104 GLN CB . 51081 1 391 . 1 . 1 92 92 SER H H 1 8.884 0.005 . . . . . . . 105 SER H . 51081 1 392 . 1 . 1 92 92 SER C C 13 175.885 0.085 . . . . . . . 105 SER C . 51081 1 393 . 1 . 1 92 92 SER CA C 13 57.431 0.052 . . . . . . . 105 SER CA . 51081 1 394 . 1 . 1 92 92 SER CB C 13 65.183 0.030 . . . . . . . 105 SER CB . 51081 1 395 . 1 . 1 92 92 SER N N 15 118.539 0.069 . . . . . . . 105 SER N . 51081 1 396 . 1 . 1 93 93 TYR H H 1 8.950 0.005 . . . . . . . 106 TYR H . 51081 1 397 . 1 . 1 93 93 TYR C C 13 178.257 0.000 . . . . . . . 106 TYR C . 51081 1 398 . 1 . 1 93 93 TYR CA C 13 63.389 0.031 . . . . . . . 106 TYR CA . 51081 1 399 . 1 . 1 93 93 TYR CB C 13 38.709 0.023 . . . . . . . 106 TYR CB . 51081 1 400 . 1 . 1 93 93 TYR N N 15 119.725 0.036 . . . . . . . 106 TYR N . 51081 1 401 . 1 . 1 94 94 ALA H H 1 8.693 0.004 . . . . . . . 107 ALA H . 51081 1 402 . 1 . 1 94 94 ALA C C 13 183.312 4.238 . . . . . . . 107 ALA C . 51081 1 403 . 1 . 1 94 94 ALA CA C 13 56.002 0.008 . . . . . . . 107 ALA CA . 51081 1 404 . 1 . 1 94 94 ALA CB C 13 17.556 0.076 . . . . . . . 107 ALA CB . 51081 1 405 . 1 . 1 94 94 ALA N N 15 119.186 0.043 . . . . . . . 107 ALA N . 51081 1 406 . 1 . 1 95 95 GLU H H 1 8.018 0.004 . . . . . . . 108 GLU H . 51081 1 407 . 1 . 1 95 95 GLU C C 13 179.292 0.000 . . . . . . . 108 GLU C . 51081 1 408 . 1 . 1 95 95 GLU CA C 13 59.460 0.000 . . . . . . . 108 GLU CA . 51081 1 409 . 1 . 1 95 95 GLU CB C 13 29.711 0.000 . . . . . . . 108 GLU CB . 51081 1 410 . 1 . 1 95 95 GLU N N 15 119.716 0.033 . . . . . . . 108 GLU N . 51081 1 411 . 1 . 1 97 97 ILE C C 13 177.530 0.000 . . . . . . . 110 ILE C . 51081 1 412 . 1 . 1 97 97 ILE CA C 13 65.613 0.021 . . . . . . . 110 ILE CA . 51081 1 413 . 1 . 1 97 97 ILE CB C 13 38.045 0.000 . . . . . . . 110 ILE CB . 51081 1 414 . 1 . 1 98 98 SER H H 1 7.959 0.003 . . . . . . . 111 SER H . 51081 1 415 . 1 . 1 98 98 SER C C 13 175.206 0.000 . . . . . . . 111 SER C . 51081 1 416 . 1 . 1 98 98 SER CA C 13 63.039 0.003 . . . . . . . 111 SER CA . 51081 1 417 . 1 . 1 98 98 SER N N 15 113.015 0.043 . . . . . . . 111 SER N . 51081 1 418 . 1 . 1 99 99 GLN H H 1 7.763 0.002 . . . . . . . 112 GLN H . 51081 1 419 . 1 . 1 99 99 GLN C C 13 178.391 0.004 . . . . . . . 112 GLN C . 51081 1 420 . 1 . 1 99 99 GLN CA C 13 58.917 0.042 . . . . . . . 112 GLN CA . 51081 1 421 . 1 . 1 99 99 GLN CB C 13 28.386 0.024 . . . . . . . 112 GLN CB . 51081 1 422 . 1 . 1 99 99 GLN N N 15 120.533 0.043 . . . . . . . 112 GLN N . 51081 1 423 . 1 . 1 100 100 ALA H H 1 7.424 0.003 . . . . . . . 113 ALA H . 51081 1 424 . 1 . 1 100 100 ALA C C 13 179.590 0.017 . . . . . . . 113 ALA C . 51081 1 425 . 1 . 1 100 100 ALA CA C 13 54.740 0.067 . . . . . . . 113 ALA CA . 51081 1 426 . 1 . 1 100 100 ALA CB C 13 16.599 0.032 . . . . . . . 113 ALA CB . 51081 1 427 . 1 . 1 100 100 ALA N N 15 123.865 0.051 . . . . . . . 113 ALA N . 51081 1 428 . 1 . 1 101 101 ILE H H 1 7.843 0.004 . . . . . . . 114 ILE H . 51081 1 429 . 1 . 1 101 101 ILE C C 13 177.738 0.000 . . . . . . . 114 ILE C . 51081 1 430 . 1 . 1 101 101 ILE CA C 13 66.230 0.000 . . . . . . . 114 ILE CA . 51081 1 431 . 1 . 1 101 101 ILE CB C 13 38.810 0.000 . . . . . . . 114 ILE CB . 51081 1 432 . 1 . 1 101 101 ILE N N 15 117.839 0.034 . . . . . . . 114 ILE N . 51081 1 433 . 1 . 1 103 103 SER C C 13 173.929 0.000 . . . . . . . 116 SER C . 51081 1 434 . 1 . 1 103 103 SER CA C 13 59.289 0.000 . . . . . . . 116 SER CA . 51081 1 435 . 1 . 1 103 103 SER CB C 13 64.018 0.000 . . . . . . . 116 SER CB . 51081 1 436 . 1 . 1 104 104 ALA H H 1 7.498 0.002 . . . . . . . 117 ALA H . 51081 1 437 . 1 . 1 104 104 ALA C C 13 177.711 0.000 . . . . . . . 117 ALA C . 51081 1 438 . 1 . 1 104 104 ALA CA C 13 50.347 0.012 . . . . . . . 117 ALA CA . 51081 1 439 . 1 . 1 104 104 ALA CB C 13 18.764 0.028 . . . . . . . 117 ALA CB . 51081 1 440 . 1 . 1 104 104 ALA N N 15 128.335 0.067 . . . . . . . 117 ALA N . 51081 1 441 . 1 . 1 107 107 LYS C C 13 173.857 0.000 . . . . . . . 120 LYS C . 51081 1 442 . 1 . 1 107 107 LYS CA C 13 56.002 0.000 . . . . . . . 120 LYS CA . 51081 1 443 . 1 . 1 107 107 LYS CB C 13 29.107 0.000 . . . . . . . 120 LYS CB . 51081 1 444 . 1 . 1 108 108 ARG H H 1 6.772 0.004 . . . . . . . 121 ARG H . 51081 1 445 . 1 . 1 108 108 ARG C C 13 173.769 0.003 . . . . . . . 121 ARG C . 51081 1 446 . 1 . 1 108 108 ARG CA C 13 54.020 0.000 . . . . . . . 121 ARG CA . 51081 1 447 . 1 . 1 108 108 ARG CB C 13 32.521 0.000 . . . . . . . 121 ARG CB . 51081 1 448 . 1 . 1 108 108 ARG N N 15 109.627 0.033 . . . . . . . 121 ARG N . 51081 1 449 . 1 . 1 109 109 LEU H H 1 8.651 0.000 . . . . . . . 122 LEU H . 51081 1 450 . 1 . 1 109 109 LEU C C 13 177.244 0.000 . . . . . . . 122 LEU C . 51081 1 451 . 1 . 1 109 109 LEU CA C 13 54.212 0.021 . . . . . . . 122 LEU CA . 51081 1 452 . 1 . 1 109 109 LEU N N 15 120.193 0.001 . . . . . . . 122 LEU N . 51081 1 453 . 1 . 1 110 110 THR H H 1 8.973 0.005 . . . . . . . 123 THR H . 51081 1 454 . 1 . 1 110 110 THR C C 13 175.550 0.000 . . . . . . . 123 THR C . 51081 1 455 . 1 . 1 110 110 THR CA C 13 60.805 0.000 . . . . . . . 123 THR CA . 51081 1 456 . 1 . 1 110 110 THR CB C 13 71.164 0.000 . . . . . . . 123 THR CB . 51081 1 457 . 1 . 1 110 110 THR N N 15 112.567 0.055 . . . . . . . 123 THR N . 51081 1 458 . 1 . 1 112 112 ALA C C 13 172.237 0.000 . . . . . . . 125 ALA C . 51081 1 459 . 1 . 1 112 112 ALA CA C 13 55.417 0.000 . . . . . . . 125 ALA CA . 51081 1 460 . 1 . 1 112 112 ALA CB C 13 18.210 0.036 . . . . . . . 125 ALA CB . 51081 1 461 . 1 . 1 113 113 GLN H H 1 7.689 0.003 . . . . . . . 126 GLN H . 51081 1 462 . 1 . 1 113 113 GLN C C 13 180.167 0.005 . . . . . . . 126 GLN C . 51081 1 463 . 1 . 1 113 113 GLN CA C 13 58.407 0.061 . . . . . . . 126 GLN CA . 51081 1 464 . 1 . 1 113 113 GLN CB C 13 30.456 0.014 . . . . . . . 126 GLN CB . 51081 1 465 . 1 . 1 113 113 GLN N N 15 116.370 0.041 . . . . . . . 126 GLN N . 51081 1 466 . 1 . 1 114 114 ILE H H 1 8.399 0.002 . . . . . . . 127 ILE H . 51081 1 467 . 1 . 1 114 114 ILE N N 15 124.753 0.020 . . . . . . . 127 ILE N . 51081 1 468 . 1 . 1 118 118 MET C C 13 177.495 0.000 . . . . . . . 131 MET C . 51081 1 469 . 1 . 1 118 118 MET CA C 13 58.687 0.000 . . . . . . . 131 MET CA . 51081 1 470 . 1 . 1 119 119 VAL H H 1 7.599 0.002 . . . . . . . 132 VAL H . 51081 1 471 . 1 . 1 119 119 VAL C C 13 177.568 0.017 . . . . . . . 132 VAL C . 51081 1 472 . 1 . 1 119 119 VAL CA C 13 64.981 0.023 . . . . . . . 132 VAL CA . 51081 1 473 . 1 . 1 119 119 VAL CB C 13 31.915 0.085 . . . . . . . 132 VAL CB . 51081 1 474 . 1 . 1 119 119 VAL N N 15 115.748 0.042 . . . . . . . 132 VAL N . 51081 1 475 . 1 . 1 120 120 ARG H H 1 7.750 0.003 . . . . . . . 133 ARG H . 51081 1 476 . 1 . 1 120 120 ARG C C 13 178.145 0.008 . . . . . . . 133 ARG C . 51081 1 477 . 1 . 1 120 120 ARG CA C 13 58.090 0.009 . . . . . . . 133 ARG CA . 51081 1 478 . 1 . 1 120 120 ARG CB C 13 31.116 0.000 . . . . . . . 133 ARG CB . 51081 1 479 . 1 . 1 120 120 ARG N N 15 116.787 0.039 . . . . . . . 133 ARG N . 51081 1 480 . 1 . 1 121 121 THR H H 1 7.552 0.003 . . . . . . . 134 THR H . 51081 1 481 . 1 . 1 121 121 THR C C 13 174.177 0.009 . . . . . . . 134 THR C . 51081 1 482 . 1 . 1 121 121 THR CA C 13 64.609 0.004 . . . . . . . 134 THR CA . 51081 1 483 . 1 . 1 121 121 THR CB C 13 69.894 0.000 . . . . . . . 134 THR CB . 51081 1 484 . 1 . 1 121 121 THR N N 15 111.882 0.045 . . . . . . . 134 THR N . 51081 1 485 . 1 . 1 122 122 VAL H H 1 8.010 0.003 . . . . . . . 135 VAL H . 51081 1 486 . 1 . 1 122 122 VAL C C 13 175.234 0.000 . . . . . . . 135 VAL C . 51081 1 487 . 1 . 1 122 122 VAL CA C 13 60.057 0.000 . . . . . . . 135 VAL CA . 51081 1 488 . 1 . 1 122 122 VAL CB C 13 32.280 0.000 . . . . . . . 135 VAL CB . 51081 1 489 . 1 . 1 122 122 VAL N N 15 124.491 0.038 . . . . . . . 135 VAL N . 51081 1 490 . 1 . 1 124 124 TYR C C 13 175.566 0.000 . . . . . . . 137 TYR C . 51081 1 491 . 1 . 1 124 124 TYR CA C 13 60.752 0.000 . . . . . . . 137 TYR CA . 51081 1 492 . 1 . 1 124 124 TYR CB C 13 39.391 0.000 . . . . . . . 137 TYR CB . 51081 1 493 . 1 . 1 125 125 PHE H H 1 7.453 0.006 . . . . . . . 138 PHE H . 51081 1 494 . 1 . 1 125 125 PHE C C 13 176.034 0.011 . . . . . . . 138 PHE C . 51081 1 495 . 1 . 1 125 125 PHE CA C 13 58.401 0.017 . . . . . . . 138 PHE CA . 51081 1 496 . 1 . 1 125 125 PHE CB C 13 37.986 0.058 . . . . . . . 138 PHE CB . 51081 1 497 . 1 . 1 125 125 PHE N N 15 113.441 0.039 . . . . . . . 138 PHE N . 51081 1 498 . 1 . 1 126 126 LYS H H 1 7.518 0.003 . . . . . . . 139 LYS H . 51081 1 499 . 1 . 1 126 126 LYS C C 13 177.591 0.006 . . . . . . . 139 LYS C . 51081 1 500 . 1 . 1 126 126 LYS CA C 13 58.934 0.000 . . . . . . . 139 LYS CA . 51081 1 501 . 1 . 1 126 126 LYS CB C 13 32.901 0.082 . . . . . . . 139 LYS CB . 51081 1 502 . 1 . 1 126 126 LYS N N 15 120.178 0.044 . . . . . . . 139 LYS N . 51081 1 503 . 1 . 1 127 127 ASP H H 1 8.154 0.004 . . . . . . . 140 ASP H . 51081 1 504 . 1 . 1 127 127 ASP C C 13 176.814 0.003 . . . . . . . 140 ASP C . 51081 1 505 . 1 . 1 127 127 ASP CA C 13 54.071 0.000 . . . . . . . 140 ASP CA . 51081 1 506 . 1 . 1 127 127 ASP CB C 13 40.591 0.018 . . . . . . . 140 ASP CB . 51081 1 507 . 1 . 1 127 127 ASP N N 15 116.793 0.038 . . . . . . . 140 ASP N . 51081 1 508 . 1 . 1 128 128 LYS H H 1 7.790 0.002 . . . . . . . 141 LYS H . 51081 1 509 . 1 . 1 128 128 LYS C C 13 177.279 0.004 . . . . . . . 141 LYS C . 51081 1 510 . 1 . 1 128 128 LYS CA C 13 55.636 0.046 . . . . . . . 141 LYS CA . 51081 1 511 . 1 . 1 128 128 LYS CB C 13 32.595 0.012 . . . . . . . 141 LYS CB . 51081 1 512 . 1 . 1 128 128 LYS N N 15 119.508 0.043 . . . . . . . 141 LYS N . 51081 1 513 . 1 . 1 129 129 GLY H H 1 8.580 0.002 . . . . . . . 142 GLY H . 51081 1 514 . 1 . 1 129 129 GLY C C 13 174.482 0.009 . . . . . . . 142 GLY C . 51081 1 515 . 1 . 1 129 129 GLY CA C 13 46.404 0.027 . . . . . . . 142 GLY CA . 51081 1 516 . 1 . 1 129 129 GLY N N 15 108.266 0.030 . . . . . . . 142 GLY N . 51081 1 517 . 1 . 1 130 130 ASP H H 1 8.230 0.002 . . . . . . . 143 ASP H . 51081 1 518 . 1 . 1 130 130 ASP CA C 13 53.754 0.003 . . . . . . . 143 ASP CA . 51081 1 519 . 1 . 1 130 130 ASP CB C 13 41.250 0.001 . . . . . . . 143 ASP CB . 51081 1 520 . 1 . 1 130 130 ASP N N 15 119.461 0.037 . . . . . . . 143 ASP N . 51081 1 521 . 1 . 1 134 134 SER C C 13 175.766 1.422 . . . . . . . 147 SER C . 51081 1 522 . 1 . 1 134 134 SER CA C 13 59.284 0.000 . . . . . . . 147 SER CA . 51081 1 523 . 1 . 1 134 134 SER CB C 13 64.317 0.000 . . . . . . . 147 SER CB . 51081 1 524 . 1 . 1 135 135 ALA H H 1 7.600 0.006 . . . . . . . 148 ALA H . 51081 1 525 . 1 . 1 135 135 ALA C C 13 179.231 0.001 . . . . . . . 148 ALA C . 51081 1 526 . 1 . 1 135 135 ALA CA C 13 54.147 0.005 . . . . . . . 148 ALA CA . 51081 1 527 . 1 . 1 135 135 ALA CB C 13 18.890 0.024 . . . . . . . 148 ALA CB . 51081 1 528 . 1 . 1 135 135 ALA N N 15 124.024 0.056 . . . . . . . 148 ALA N . 51081 1 529 . 1 . 1 136 136 GLY H H 1 8.312 0.002 . . . . . . . 149 GLY H . 51081 1 530 . 1 . 1 136 136 GLY N N 15 106.988 0.026 . . . . . . . 149 GLY N . 51081 1 531 . 1 . 1 138 138 LYS C C 13 179.785 0.000 . . . . . . . 151 LYS C . 51081 1 532 . 1 . 1 139 139 ASN H H 1 7.793 0.001 . . . . . . . 152 ASN H . 51081 1 533 . 1 . 1 139 139 ASN C C 13 177.887 0.006 . . . . . . . 152 ASN C . 51081 1 534 . 1 . 1 139 139 ASN CB C 13 38.123 0.075 . . . . . . . 152 ASN CB . 51081 1 535 . 1 . 1 139 139 ASN N N 15 119.073 0.038 . . . . . . . 152 ASN N . 51081 1 536 . 1 . 1 140 140 SER H H 1 8.166 0.001 . . . . . . . 153 SER H . 51081 1 537 . 1 . 1 140 140 SER N N 15 117.499 0.031 . . . . . . . 153 SER N . 51081 1 538 . 1 . 1 146 146 SER C C 13 175.076 0.000 . . . . . . . 159 SER C . 51081 1 539 . 1 . 1 146 146 SER CB C 13 64.032 0.017 . . . . . . . 159 SER CB . 51081 1 540 . 1 . 1 147 147 LEU H H 1 7.493 0.005 . . . . . . . 160 LEU H . 51081 1 541 . 1 . 1 147 147 LEU C C 13 177.283 0.000 . . . . . . . 160 LEU C . 51081 1 542 . 1 . 1 147 147 LEU CA C 13 55.796 0.000 . . . . . . . 160 LEU CA . 51081 1 543 . 1 . 1 147 147 LEU CB C 13 43.173 0.000 . . . . . . . 160 LEU CB . 51081 1 544 . 1 . 1 147 147 LEU N N 15 121.053 0.061 . . . . . . . 160 LEU N . 51081 1 545 . 1 . 1 149 149 SER H H 1 8.070 0.000 . . . . . . . 162 SER H . 51081 1 546 . 1 . 1 149 149 SER C C 13 174.584 0.000 . . . . . . . 162 SER C . 51081 1 547 . 1 . 1 149 149 SER CA C 13 59.874 0.000 . . . . . . . 162 SER CA . 51081 1 548 . 1 . 1 149 149 SER CB C 13 62.947 0.000 . . . . . . . 162 SER CB . 51081 1 549 . 1 . 1 150 150 LYS H H 1 7.839 0.004 . . . . . . . 163 LYS H . 51081 1 550 . 1 . 1 150 150 LYS C C 13 175.555 0.000 . . . . . . . 163 LYS C . 51081 1 551 . 1 . 1 150 150 LYS CA C 13 57.584 0.000 . . . . . . . 163 LYS CA . 51081 1 552 . 1 . 1 150 150 LYS CB C 13 32.829 0.000 . . . . . . . 163 LYS CB . 51081 1 553 . 1 . 1 150 150 LYS N N 15 119.227 0.039 . . . . . . . 163 LYS N . 51081 1 554 . 1 . 1 151 151 PHE C C 13 174.761 0.000 . . . . . . . 164 PHE C . 51081 1 555 . 1 . 1 151 151 PHE CA C 13 56.009 0.000 . . . . . . . 164 PHE CA . 51081 1 556 . 1 . 1 151 151 PHE CB C 13 41.418 0.000 . . . . . . . 164 PHE CB . 51081 1 557 . 1 . 1 152 152 ILE H H 1 9.339 0.003 . . . . . . . 165 ILE H . 51081 1 558 . 1 . 1 152 152 ILE CA C 13 59.521 0.000 . . . . . . . 165 ILE CA . 51081 1 559 . 1 . 1 152 152 ILE CB C 13 42.207 0.000 . . . . . . . 165 ILE CB . 51081 1 560 . 1 . 1 152 152 ILE N N 15 118.983 0.032 . . . . . . . 165 ILE N . 51081 1 561 . 1 . 1 153 153 LYS C C 13 176.582 0.018 . . . . . . . 166 LYS C . 51081 1 562 . 1 . 1 153 153 LYS CA C 13 54.679 0.000 . . . . . . . 166 LYS CA . 51081 1 563 . 1 . 1 153 153 LYS CB C 13 32.719 0.000 . . . . . . . 166 LYS CB . 51081 1 564 . 1 . 1 154 154 VAL H H 1 9.046 0.006 . . . . . . . 167 VAL H . 51081 1 565 . 1 . 1 154 154 VAL C C 13 174.726 0.009 . . . . . . . 167 VAL C . 51081 1 566 . 1 . 1 154 154 VAL CA C 13 61.043 0.016 . . . . . . . 167 VAL CA . 51081 1 567 . 1 . 1 154 154 VAL CB C 13 32.663 0.000 . . . . . . . 167 VAL CB . 51081 1 568 . 1 . 1 154 154 VAL N N 15 126.585 0.031 . . . . . . . 167 VAL N . 51081 1 569 . 1 . 1 155 155 HIS H H 1 8.532 0.003 . . . . . . . 168 HIS H . 51081 1 570 . 1 . 1 155 155 HIS C C 13 174.143 0.000 . . . . . . . 168 HIS C . 51081 1 571 . 1 . 1 155 155 HIS CA C 13 56.509 0.000 . . . . . . . 168 HIS CA . 51081 1 572 . 1 . 1 155 155 HIS CB C 13 30.407 0.000 . . . . . . . 168 HIS CB . 51081 1 573 . 1 . 1 155 155 HIS N N 15 124.231 0.043 . . . . . . . 168 HIS N . 51081 1 574 . 1 . 1 156 156 ASN C C 13 175.183 0.001 . . . . . . . 169 ASN C . 51081 1 575 . 1 . 1 156 156 ASN CA C 13 52.629 0.029 . . . . . . . 169 ASN CA . 51081 1 576 . 1 . 1 156 156 ASN CB C 13 38.911 0.026 . . . . . . . 169 ASN CB . 51081 1 577 . 1 . 1 157 157 GLU H H 1 8.759 0.002 . . . . . . . 170 GLU H . 51081 1 578 . 1 . 1 157 157 GLU C C 13 176.954 0.003 . . . . . . . 170 GLU C . 51081 1 579 . 1 . 1 157 157 GLU CA C 13 58.123 0.021 . . . . . . . 170 GLU CA . 51081 1 580 . 1 . 1 157 157 GLU CB C 13 29.623 0.009 . . . . . . . 170 GLU CB . 51081 1 581 . 1 . 1 157 157 GLU N N 15 123.759 0.053 . . . . . . . 170 GLU N . 51081 1 582 . 1 . 1 158 158 ALA H H 1 8.326 0.002 . . . . . . . 171 ALA H . 51081 1 583 . 1 . 1 158 158 ALA C C 13 178.086 0.007 . . . . . . . 171 ALA C . 51081 1 584 . 1 . 1 158 158 ALA CA C 13 52.860 0.097 . . . . . . . 171 ALA CA . 51081 1 585 . 1 . 1 158 158 ALA CB C 13 18.944 0.011 . . . . . . . 171 ALA CB . 51081 1 586 . 1 . 1 158 158 ALA N N 15 122.419 0.044 . . . . . . . 171 ALA N . 51081 1 587 . 1 . 1 159 159 THR H H 1 7.857 0.003 . . . . . . . 172 THR H . 51081 1 588 . 1 . 1 159 159 THR C C 13 175.769 0.003 . . . . . . . 172 THR C . 51081 1 589 . 1 . 1 159 159 THR CA C 13 62.561 0.053 . . . . . . . 172 THR CA . 51081 1 590 . 1 . 1 159 159 THR CB C 13 69.616 0.028 . . . . . . . 172 THR CB . 51081 1 591 . 1 . 1 159 159 THR N N 15 112.219 0.038 . . . . . . . 172 THR N . 51081 1 592 . 1 . 1 160 160 GLY H H 1 8.437 0.005 . . . . . . . 173 GLY H . 51081 1 593 . 1 . 1 160 160 GLY C C 13 174.325 0.024 . . . . . . . 173 GLY C . 51081 1 594 . 1 . 1 160 160 GLY CA C 13 45.740 0.037 . . . . . . . 173 GLY CA . 51081 1 595 . 1 . 1 160 160 GLY N N 15 112.162 0.066 . . . . . . . 173 GLY N . 51081 1 596 . 1 . 1 161 161 LYS H H 1 7.853 0.003 . . . . . . . 174 LYS H . 51081 1 597 . 1 . 1 161 161 LYS C C 13 176.565 0.005 . . . . . . . 174 LYS C . 51081 1 598 . 1 . 1 161 161 LYS CA C 13 55.611 0.060 . . . . . . . 174 LYS CA . 51081 1 599 . 1 . 1 161 161 LYS CB C 13 33.214 0.031 . . . . . . . 174 LYS CB . 51081 1 600 . 1 . 1 161 161 LYS N N 15 119.367 0.048 . . . . . . . 174 LYS N . 51081 1 601 . 1 . 1 162 162 SER H H 1 8.174 0.003 . . . . . . . 175 SER H . 51081 1 602 . 1 . 1 162 162 SER CA C 13 58.510 0.000 . . . . . . . 175 SER CA . 51081 1 603 . 1 . 1 162 162 SER CB C 13 63.996 0.000 . . . . . . . 175 SER CB . 51081 1 604 . 1 . 1 162 162 SER N N 15 116.395 0.028 . . . . . . . 175 SER N . 51081 1 605 . 1 . 1 163 163 SER C C 13 174.444 0.000 . . . . . . . 176 SER C . 51081 1 606 . 1 . 1 163 163 SER CA C 13 58.461 0.107 . . . . . . . 176 SER CA . 51081 1 607 . 1 . 1 163 163 SER CB C 13 63.912 0.000 . . . . . . . 176 SER CB . 51081 1 608 . 1 . 1 164 164 TRP H H 1 8.417 0.003 . . . . . . . 177 TRP H . 51081 1 609 . 1 . 1 164 164 TRP C C 13 174.454 0.000 . . . . . . . 177 TRP C . 51081 1 610 . 1 . 1 164 164 TRP CA C 13 58.557 0.000 . . . . . . . 177 TRP CA . 51081 1 611 . 1 . 1 164 164 TRP CB C 13 28.107 0.001 . . . . . . . 177 TRP CB . 51081 1 612 . 1 . 1 164 164 TRP N N 15 120.760 0.036 . . . . . . . 177 TRP N . 51081 1 613 . 1 . 1 165 165 TRP C C 13 175.379 0.000 . . . . . . . 178 TRP C . 51081 1 614 . 1 . 1 165 165 TRP CA C 13 56.902 0.000 . . . . . . . 178 TRP CA . 51081 1 615 . 1 . 1 166 166 MET H H 1 9.233 0.004 . . . . . . . 179 MET H . 51081 1 616 . 1 . 1 166 166 MET C C 13 174.849 0.003 . . . . . . . 179 MET C . 51081 1 617 . 1 . 1 166 166 MET CA C 13 54.337 0.007 . . . . . . . 179 MET CA . 51081 1 618 . 1 . 1 166 166 MET CB C 13 37.982 0.069 . . . . . . . 179 MET CB . 51081 1 619 . 1 . 1 166 166 MET N N 15 117.670 0.057 . . . . . . . 179 MET N . 51081 1 620 . 1 . 1 167 167 LEU H H 1 9.240 0.003 . . . . . . . 180 LEU H . 51081 1 621 . 1 . 1 167 167 LEU CA C 13 54.593 0.000 . . . . . . . 180 LEU CA . 51081 1 622 . 1 . 1 167 167 LEU CB C 13 41.882 0.000 . . . . . . . 180 LEU CB . 51081 1 623 . 1 . 1 167 167 LEU N N 15 120.709 0.036 . . . . . . . 180 LEU N . 51081 1 624 . 1 . 1 169 169 PRO C C 13 177.329 0.000 . . . . . . . 182 PRO C . 51081 1 625 . 1 . 1 169 169 PRO CA C 13 64.041 0.062 . . . . . . . 182 PRO CA . 51081 1 626 . 1 . 1 169 169 PRO CB C 13 32.057 0.069 . . . . . . . 182 PRO CB . 51081 1 627 . 1 . 1 170 170 GLU H H 1 8.041 0.002 . . . . . . . 183 GLU H . 51081 1 628 . 1 . 1 170 170 GLU C C 13 177.196 0.012 . . . . . . . 183 GLU C . 51081 1 629 . 1 . 1 170 170 GLU CA C 13 56.676 0.014 . . . . . . . 183 GLU CA . 51081 1 630 . 1 . 1 170 170 GLU CB C 13 29.860 0.037 . . . . . . . 183 GLU CB . 51081 1 631 . 1 . 1 170 170 GLU N N 15 118.868 0.039 . . . . . . . 183 GLU N . 51081 1 632 . 1 . 1 171 171 GLY H H 1 8.131 0.002 . . . . . . . 184 GLY H . 51081 1 633 . 1 . 1 171 171 GLY C C 13 174.765 0.008 . . . . . . . 184 GLY C . 51081 1 634 . 1 . 1 171 171 GLY CA C 13 45.653 0.020 . . . . . . . 184 GLY CA . 51081 1 635 . 1 . 1 171 171 GLY N N 15 108.760 0.044 . . . . . . . 184 GLY N . 51081 1 636 . 1 . 1 172 172 GLY H H 1 8.216 0.001 . . . . . . . 185 GLY H . 51081 1 637 . 1 . 1 172 172 GLY C C 13 174.491 0.006 . . . . . . . 185 GLY C . 51081 1 638 . 1 . 1 172 172 GLY CA C 13 45.400 0.030 . . . . . . . 185 GLY CA . 51081 1 639 . 1 . 1 172 172 GLY N N 15 108.513 0.029 . . . . . . . 185 GLY N . 51081 1 640 . 1 . 1 173 173 LYS H H 1 8.183 0.002 . . . . . . . 186 LYS H . 51081 1 641 . 1 . 1 173 173 LYS C C 13 176.978 0.007 . . . . . . . 186 LYS C . 51081 1 642 . 1 . 1 173 173 LYS CA C 13 56.608 0.019 . . . . . . . 186 LYS CA . 51081 1 643 . 1 . 1 173 173 LYS CB C 13 32.978 0.032 . . . . . . . 186 LYS CB . 51081 1 644 . 1 . 1 173 173 LYS N N 15 120.629 0.037 . . . . . . . 186 LYS N . 51081 1 645 . 1 . 1 174 174 SER H H 1 8.374 0.002 . . . . . . . 187 SER H . 51081 1 646 . 1 . 1 174 174 SER C C 13 175.132 0.000 . . . . . . . 187 SER C . 51081 1 647 . 1 . 1 174 174 SER CA C 13 58.655 0.024 . . . . . . . 187 SER CA . 51081 1 648 . 1 . 1 174 174 SER CB C 13 63.892 0.034 . . . . . . . 187 SER CB . 51081 1 649 . 1 . 1 174 174 SER N N 15 116.448 0.061 . . . . . . . 187 SER N . 51081 1 650 . 1 . 1 175 175 GLY H H 1 8.394 0.002 . . . . . . . 188 GLY H . 51081 1 651 . 1 . 1 175 175 GLY C C 13 173.941 0.016 . . . . . . . 188 GLY C . 51081 1 652 . 1 . 1 175 175 GLY CA C 13 45.319 0.008 . . . . . . . 188 GLY CA . 51081 1 653 . 1 . 1 175 175 GLY N N 15 110.845 0.026 . . . . . . . 188 GLY N . 51081 1 654 . 1 . 1 176 176 LYS H H 1 8.126 0.002 . . . . . . . 189 LYS H . 51081 1 655 . 1 . 1 176 176 LYS C C 13 176.100 0.003 . . . . . . . 189 LYS C . 51081 1 656 . 1 . 1 176 176 LYS CA C 13 55.910 0.028 . . . . . . . 189 LYS CA . 51081 1 657 . 1 . 1 176 176 LYS CB C 13 33.194 0.022 . . . . . . . 189 LYS CB . 51081 1 658 . 1 . 1 176 176 LYS N N 15 120.624 0.032 . . . . . . . 189 LYS N . 51081 1 659 . 1 . 1 177 177 ALA H H 1 8.325 0.002 . . . . . . . 190 ALA H . 51081 1 660 . 1 . 1 177 177 ALA C C 13 175.467 0.002 . . . . . . . 190 ALA C . 51081 1 661 . 1 . 1 177 177 ALA CA C 13 50.583 0.010 . . . . . . . 190 ALA CA . 51081 1 662 . 1 . 1 177 177 ALA CB C 13 18.116 0.008 . . . . . . . 190 ALA CB . 51081 1 663 . 1 . 1 177 177 ALA N N 15 126.649 0.043 . . . . . . . 190 ALA N . 51081 1 664 . 1 . 1 178 178 PRO C C 13 177.146 0.005 . . . . . . . 191 PRO C . 51081 1 665 . 1 . 1 178 178 PRO CA C 13 63.245 0.000 . . . . . . . 191 PRO CA . 51081 1 666 . 1 . 1 178 178 PRO CB C 13 32.112 0.000 . . . . . . . 191 PRO CB . 51081 1 667 . 1 . 1 179 179 ARG H H 1 8.470 0.002 . . . . . . . 192 ARG H . 51081 1 668 . 1 . 1 179 179 ARG C C 13 176.447 0.028 . . . . . . . 192 ARG C . 51081 1 669 . 1 . 1 179 179 ARG CA C 13 56.125 0.000 . . . . . . . 192 ARG CA . 51081 1 670 . 1 . 1 179 179 ARG CB C 13 30.678 0.051 . . . . . . . 192 ARG CB . 51081 1 671 . 1 . 1 179 179 ARG N N 15 121.388 0.040 . . . . . . . 192 ARG N . 51081 1 672 . 1 . 1 180 180 ARG H H 1 8.423 0.003 . . . . . . . 193 ARG H . 51081 1 673 . 1 . 1 180 180 ARG C C 13 176.167 0.002 . . . . . . . 193 ARG C . 51081 1 674 . 1 . 1 180 180 ARG CA C 13 55.962 0.079 . . . . . . . 193 ARG CA . 51081 1 675 . 1 . 1 180 180 ARG CB C 13 30.845 0.035 . . . . . . . 193 ARG CB . 51081 1 676 . 1 . 1 180 180 ARG N N 15 122.965 0.050 . . . . . . . 193 ARG N . 51081 1 677 . 1 . 1 181 181 ARG H H 1 8.464 0.002 . . . . . . . 194 ARG H . 51081 1 678 . 1 . 1 181 181 ARG C C 13 175.987 0.015 . . . . . . . 194 ARG C . 51081 1 679 . 1 . 1 181 181 ARG CA C 13 56.066 0.008 . . . . . . . 194 ARG CA . 51081 1 680 . 1 . 1 181 181 ARG CB C 13 30.900 0.022 . . . . . . . 194 ARG CB . 51081 1 681 . 1 . 1 181 181 ARG N N 15 123.256 0.033 . . . . . . . 194 ARG N . 51081 1 682 . 1 . 1 182 182 ALA H H 1 8.413 0.002 . . . . . . . 195 ALA H . 51081 1 683 . 1 . 1 182 182 ALA C C 13 177.477 0.007 . . . . . . . 195 ALA C . 51081 1 684 . 1 . 1 182 182 ALA CA C 13 52.570 0.013 . . . . . . . 195 ALA CA . 51081 1 685 . 1 . 1 182 182 ALA CB C 13 19.277 0.028 . . . . . . . 195 ALA CB . 51081 1 686 . 1 . 1 182 182 ALA N N 15 126.007 0.046 . . . . . . . 195 ALA N . 51081 1 687 . 1 . 1 183 183 ALA H H 1 8.368 0.001 . . . . . . . 196 ALA H . 51081 1 688 . 1 . 1 183 183 ALA C C 13 177.893 0.001 . . . . . . . 196 ALA C . 51081 1 689 . 1 . 1 183 183 ALA CA C 13 52.705 0.025 . . . . . . . 196 ALA CA . 51081 1 690 . 1 . 1 183 183 ALA CB C 13 19.210 0.014 . . . . . . . 196 ALA CB . 51081 1 691 . 1 . 1 183 183 ALA N N 15 123.622 0.035 . . . . . . . 196 ALA N . 51081 1 692 . 1 . 1 184 184 SER H H 1 8.277 0.002 . . . . . . . 197 SER H . 51081 1 693 . 1 . 1 184 184 SER C C 13 174.785 0.003 . . . . . . . 197 SER C . 51081 1 694 . 1 . 1 184 184 SER CA C 13 58.425 0.021 . . . . . . . 197 SER CA . 51081 1 695 . 1 . 1 184 184 SER CB C 13 63.874 0.005 . . . . . . . 197 SER CB . 51081 1 696 . 1 . 1 184 184 SER N N 15 114.761 0.045 . . . . . . . 197 SER N . 51081 1 697 . 1 . 1 185 185 MET H H 1 8.411 0.002 . . . . . . . 198 MET H . 51081 1 698 . 1 . 1 185 185 MET C C 13 176.014 0.009 . . . . . . . 198 MET C . 51081 1 699 . 1 . 1 185 185 MET CA C 13 55.720 0.014 . . . . . . . 198 MET CA . 51081 1 700 . 1 . 1 185 185 MET CB C 13 32.876 0.009 . . . . . . . 198 MET CB . 51081 1 701 . 1 . 1 185 185 MET N N 15 122.149 0.052 . . . . . . . 198 MET N . 51081 1 702 . 1 . 1 186 186 ASP H H 1 8.323 0.001 . . . . . . . 199 ASP H . 51081 1 703 . 1 . 1 186 186 ASP C C 13 176.641 0.001 . . . . . . . 199 ASP C . 51081 1 704 . 1 . 1 186 186 ASP CA C 13 54.425 0.028 . . . . . . . 199 ASP CA . 51081 1 705 . 1 . 1 186 186 ASP CB C 13 41.330 0.036 . . . . . . . 199 ASP CB . 51081 1 706 . 1 . 1 186 186 ASP N N 15 121.534 0.043 . . . . . . . 199 ASP N . 51081 1 707 . 1 . 1 187 187 SER H H 1 8.409 0.003 . . . . . . . 200 SER H . 51081 1 708 . 1 . 1 187 187 SER C C 13 175.265 0.000 . . . . . . . 200 SER C . 51081 1 709 . 1 . 1 187 187 SER CA C 13 59.149 0.027 . . . . . . . 200 SER CA . 51081 1 710 . 1 . 1 187 187 SER CB C 13 63.688 0.006 . . . . . . . 200 SER CB . 51081 1 711 . 1 . 1 187 187 SER N N 15 117.028 0.057 . . . . . . . 200 SER N . 51081 1 712 . 1 . 1 188 188 SER H H 1 8.440 0.001 . . . . . . . 201 SER H . 51081 1 713 . 1 . 1 188 188 SER C C 13 175.221 0.000 . . . . . . . 201 SER C . 51081 1 714 . 1 . 1 188 188 SER CA C 13 59.467 0.044 . . . . . . . 201 SER CA . 51081 1 715 . 1 . 1 188 188 SER CB C 13 63.696 0.000 . . . . . . . 201 SER CB . 51081 1 716 . 1 . 1 188 188 SER N N 15 117.906 0.032 . . . . . . . 201 SER N . 51081 1 717 . 1 . 1 189 189 SER H H 1 8.255 0.001 . . . . . . . 202 SER H . 51081 1 718 . 1 . 1 189 189 SER C C 13 175.187 0.000 . . . . . . . 202 SER C . 51081 1 719 . 1 . 1 189 189 SER CA C 13 59.296 0.057 . . . . . . . 202 SER CA . 51081 1 720 . 1 . 1 189 189 SER CB C 13 63.635 0.028 . . . . . . . 202 SER CB . 51081 1 721 . 1 . 1 189 189 SER N N 15 117.621 0.032 . . . . . . . 202 SER N . 51081 1 722 . 1 . 1 190 190 LYS H H 1 8.209 0.001 . . . . . . . 203 LYS H . 51081 1 723 . 1 . 1 190 190 LYS C C 13 176.915 0.006 . . . . . . . 203 LYS C . 51081 1 724 . 1 . 1 190 190 LYS CA C 13 57.136 0.017 . . . . . . . 203 LYS CA . 51081 1 725 . 1 . 1 190 190 LYS CB C 13 32.647 0.032 . . . . . . . 203 LYS CB . 51081 1 726 . 1 . 1 190 190 LYS N N 15 122.885 0.051 . . . . . . . 203 LYS N . 51081 1 727 . 1 . 1 191 191 LEU H H 1 7.998 0.001 . . . . . . . 204 LEU H . 51081 1 728 . 1 . 1 191 191 LEU C C 13 177.452 0.008 . . . . . . . 204 LEU C . 51081 1 729 . 1 . 1 191 191 LEU CA C 13 55.630 0.012 . . . . . . . 204 LEU CA . 51081 1 730 . 1 . 1 191 191 LEU CB C 13 42.236 0.049 . . . . . . . 204 LEU CB . 51081 1 731 . 1 . 1 191 191 LEU N N 15 121.384 0.036 . . . . . . . 204 LEU N . 51081 1 732 . 1 . 1 192 192 LEU H H 1 8.047 0.002 . . . . . . . 205 LEU H . 51081 1 733 . 1 . 1 192 192 LEU C C 13 177.485 0.011 . . . . . . . 205 LEU C . 51081 1 734 . 1 . 1 192 192 LEU CA C 13 55.429 0.041 . . . . . . . 205 LEU CA . 51081 1 735 . 1 . 1 192 192 LEU CB C 13 42.157 0.026 . . . . . . . 205 LEU CB . 51081 1 736 . 1 . 1 192 192 LEU N N 15 122.137 0.029 . . . . . . . 205 LEU N . 51081 1 737 . 1 . 1 193 193 ARG H H 1 8.206 0.003 . . . . . . . 206 ARG H . 51081 1 738 . 1 . 1 193 193 ARG C C 13 176.949 0.004 . . . . . . . 206 ARG C . 51081 1 739 . 1 . 1 193 193 ARG CA C 13 56.557 0.038 . . . . . . . 206 ARG CA . 51081 1 740 . 1 . 1 193 193 ARG CB C 13 30.635 0.024 . . . . . . . 206 ARG CB . 51081 1 741 . 1 . 1 193 193 ARG N N 15 121.222 0.036 . . . . . . . 206 ARG N . 51081 1 742 . 1 . 1 194 194 GLY H H 1 8.391 0.002 . . . . . . . 207 GLY H . 51081 1 743 . 1 . 1 194 194 GLY C C 13 174.174 0.018 . . . . . . . 207 GLY C . 51081 1 744 . 1 . 1 194 194 GLY CA C 13 45.364 0.005 . . . . . . . 207 GLY CA . 51081 1 745 . 1 . 1 194 194 GLY N N 15 109.558 0.052 . . . . . . . 207 GLY N . 51081 1 746 . 1 . 1 195 195 ARG H H 1 8.176 0.005 . . . . . . . 208 ARG H . 51081 1 747 . 1 . 1 195 195 ARG C C 13 176.512 0.016 . . . . . . . 208 ARG C . 51081 1 748 . 1 . 1 195 195 ARG CA C 13 56.045 0.050 . . . . . . . 208 ARG CA . 51081 1 749 . 1 . 1 195 195 ARG CB C 13 30.887 0.041 . . . . . . . 208 ARG CB . 51081 1 750 . 1 . 1 195 195 ARG N N 15 120.498 0.060 . . . . . . . 208 ARG N . 51081 1 751 . 1 . 1 196 196 SER H H 1 8.377 0.002 . . . . . . . 209 SER H . 51081 1 752 . 1 . 1 196 196 SER C C 13 176.447 0.060 . . . . . . . 209 SER C . 51081 1 753 . 1 . 1 196 196 SER CA C 13 58.532 0.031 . . . . . . . 209 SER CA . 51081 1 754 . 1 . 1 196 196 SER CB C 13 63.974 0.035 . . . . . . . 209 SER CB . 51081 1 755 . 1 . 1 196 196 SER N N 15 117.075 0.052 . . . . . . . 209 SER N . 51081 1 756 . 1 . 1 197 197 LYS H H 1 8.408 0.009 . . . . . . . 210 LYS H . 51081 1 757 . 1 . 1 197 197 LYS C C 13 175.906 0.005 . . . . . . . 210 LYS C . 51081 1 758 . 1 . 1 197 197 LYS CA C 13 55.999 0.010 . . . . . . . 210 LYS CA . 51081 1 759 . 1 . 1 197 197 LYS CB C 13 33.094 0.013 . . . . . . . 210 LYS CB . 51081 1 760 . 1 . 1 197 197 LYS N N 15 122.854 0.101 . . . . . . . 210 LYS N . 51081 1 761 . 1 . 1 198 198 ALA H H 1 8.288 0.001 . . . . . . . 211 ALA H . 51081 1 762 . 1 . 1 198 198 ALA C C 13 175.371 0.003 . . . . . . . 211 ALA C . 51081 1 763 . 1 . 1 198 198 ALA CA C 13 50.495 0.000 . . . . . . . 211 ALA CA . 51081 1 764 . 1 . 1 198 198 ALA CB C 13 18.137 0.005 . . . . . . . 211 ALA CB . 51081 1 765 . 1 . 1 198 198 ALA N N 15 126.662 0.042 . . . . . . . 211 ALA N . 51081 1 766 . 1 . 1 199 199 PRO C C 13 176.794 0.022 . . . . . . . 212 PRO C . 51081 1 767 . 1 . 1 199 199 PRO CA C 13 62.886 0.019 . . . . . . . 212 PRO CA . 51081 1 768 . 1 . 1 199 199 PRO CB C 13 32.091 0.090 . . . . . . . 212 PRO CB . 51081 1 769 . 1 . 1 200 200 LYS H H 1 8.406 0.002 . . . . . . . 213 LYS H . 51081 1 770 . 1 . 1 200 200 LYS C C 13 176.564 0.003 . . . . . . . 213 LYS C . 51081 1 771 . 1 . 1 200 200 LYS CA C 13 56.282 0.031 . . . . . . . 213 LYS CA . 51081 1 772 . 1 . 1 200 200 LYS CB C 13 33.106 0.029 . . . . . . . 213 LYS CB . 51081 1 773 . 1 . 1 200 200 LYS N N 15 122.083 0.061 . . . . . . . 213 LYS N . 51081 1 774 . 1 . 1 201 201 LYS H H 1 8.343 0.002 . . . . . . . 214 LYS H . 51081 1 775 . 1 . 1 201 201 LYS C C 13 176.205 0.000 . . . . . . . 214 LYS C . 51081 1 776 . 1 . 1 201 201 LYS CA C 13 56.144 0.028 . . . . . . . 214 LYS CA . 51081 1 777 . 1 . 1 201 201 LYS CB C 13 33.228 0.024 . . . . . . . 214 LYS CB . 51081 1 778 . 1 . 1 201 201 LYS N N 15 123.364 0.041 . . . . . . . 214 LYS N . 51081 1 779 . 1 . 1 202 202 LYS H H 1 8.440 0.001 . . . . . . . 215 LYS H . 51081 1 780 . 1 . 1 202 202 LYS C C 13 174.625 0.000 . . . . . . . 215 LYS C . 51081 1 781 . 1 . 1 202 202 LYS CB C 13 32.603 0.000 . . . . . . . 215 LYS CB . 51081 1 782 . 1 . 1 202 202 LYS N N 15 125.015 0.030 . . . . . . . 215 LYS N . 51081 1 783 . 1 . 1 203 203 PRO C C 13 176.169 0.000 . . . . . . . 216 PRO C . 51081 1 784 . 1 . 1 203 203 PRO CA C 13 63.615 0.013 . . . . . . . 216 PRO CA . 51081 1 785 . 1 . 1 203 203 PRO CB C 13 31.977 0.014 . . . . . . . 216 PRO CB . 51081 1 786 . 1 . 1 204 204 SER H H 1 7.980 0.001 . . . . . . . 217 SER H . 51081 1 787 . 1 . 1 204 204 SER C C 13 178.668 0.001 . . . . . . . 217 SER C . 51081 1 788 . 1 . 1 204 204 SER CA C 13 60.059 0.011 . . . . . . . 217 SER CA . 51081 1 789 . 1 . 1 204 204 SER CB C 13 64.989 0.004 . . . . . . . 217 SER CB . 51081 1 790 . 1 . 1 204 204 SER N N 15 121.724 0.037 . . . . . . . 217 SER N . 51081 1 stop_ save_