data_27275 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27275 _Entry.Title ; Backbone assignment of SGTA TPR_C-terminal(deltaQ) domains ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-05 _Entry.Accession_date 2017-10-05 _Entry.Last_release_date 2017-10-05 _Entry.Original_release_date 2017-10-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Santiago 'Martinez Lumbreras' . . . . 27275 2 Arjun Thapaliya . . . . 27275 3 Rivka Isaacson . L. . . 27275 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "King's College London" . 27275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 27275 '15N chemical shifts' 152 27275 '1H chemical shifts' 152 27275 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 . . 2018-08-16 2017-10-05 update BMRB 'update entry citation' 27275 1 . . 2018-06-19 2017-10-05 original author 'original release' 27275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27272 'SGTA C-terminal domain' 27275 BMRB 27276 'SGTA N-terminal domain including linker residues' 27275 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27275 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29996828 _Citation.Full_citation . _Citation.Title ; Structural complexity of the co-chaperone SGTA: a conserved C-terminal region is implicated in dimerization and substrate quality control ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Biol.' _Citation.Journal_name_full 'BMC biology' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1741-7007 _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 76 _Citation.Page_last 76 _Citation.Year 2018 _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 Santiago Martinez-Lumbreras S. . . . 27275 1 2 Ewelina Krysztofinska E. M. . . 27275 1 3 Arjun Thapaliya A. . . . 27275 1 4 Alessandro Spilotros A. . . . 27275 1 5 Dijana Matak-Vinkovic D. . . . 27275 1 6 Enrico Salvadori E. . . . 27275 1 7 Peristera Roboti P. . . . 27275 1 8 Yvonne Nyathi Y. . . . 27275 1 9 Janina Muench J. H. . . 27275 1 10 Maxie Roessler M. M. . . 27275 1 11 Dmitri Svergun D. I. . . 27275 1 12 Stephen High S. . . . 27275 1 13 Rivka Isaacson R. L. . . 27275 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27275 _Assembly.ID 1 _Assembly.Name SGTA_TRP-NNP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 SGTA_TPR-NNP 1 $SGTA_TPR-NNP A . yes native no no . . . 27275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SGTA_TPR-NNP _Entity.Sf_category entity _Entity.Sf_framecode SGTA_TPR-NNP _Entity.Entry_ID 27275 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SGTA_TPR-NNP _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 ; GSEEDSAEAERLKTEGNEQM KVENFEAAVHFYGKAIELNP ANAVYFCNRAAAYSKLGNYA GAVQDCERAICIDPAYSKAY GRMGLALSSLNKHVEAVAYY KKALELDPDNETYKSNLKIA ELKLREAPSPTGGVGSFDIA GLLNNPGFMSMASNLMNNPQ IQQLMSGMISGGNNPLGTPG TSPSQNDLASLI ; _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 192 _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_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 83 GLY . 27275 1 2 84 SER . 27275 1 3 85 GLU . 27275 1 4 86 GLU . 27275 1 5 87 ASP . 27275 1 6 88 SER . 27275 1 7 89 ALA . 27275 1 8 90 GLU . 27275 1 9 91 ALA . 27275 1 10 92 GLU . 27275 1 11 93 ARG . 27275 1 12 94 LEU . 27275 1 13 95 LYS . 27275 1 14 96 THR . 27275 1 15 97 GLU . 27275 1 16 98 GLY . 27275 1 17 99 ASN . 27275 1 18 100 GLU . 27275 1 19 101 GLN . 27275 1 20 102 MET . 27275 1 21 103 LYS . 27275 1 22 104 VAL . 27275 1 23 105 GLU . 27275 1 24 106 ASN . 27275 1 25 107 PHE . 27275 1 26 108 GLU . 27275 1 27 109 ALA . 27275 1 28 110 ALA . 27275 1 29 111 VAL . 27275 1 30 112 HIS . 27275 1 31 113 PHE . 27275 1 32 114 TYR . 27275 1 33 115 GLY . 27275 1 34 116 LYS . 27275 1 35 117 ALA . 27275 1 36 118 ILE . 27275 1 37 119 GLU . 27275 1 38 120 LEU . 27275 1 39 121 ASN . 27275 1 40 122 PRO . 27275 1 41 123 ALA . 27275 1 42 124 ASN . 27275 1 43 125 ALA . 27275 1 44 126 VAL . 27275 1 45 127 TYR . 27275 1 46 128 PHE . 27275 1 47 129 CYS . 27275 1 48 130 ASN . 27275 1 49 131 ARG . 27275 1 50 132 ALA . 27275 1 51 133 ALA . 27275 1 52 134 ALA . 27275 1 53 135 TYR . 27275 1 54 136 SER . 27275 1 55 137 LYS . 27275 1 56 138 LEU . 27275 1 57 139 GLY . 27275 1 58 140 ASN . 27275 1 59 141 TYR . 27275 1 60 142 ALA . 27275 1 61 143 GLY . 27275 1 62 144 ALA . 27275 1 63 145 VAL . 27275 1 64 146 GLN . 27275 1 65 147 ASP . 27275 1 66 148 CYS . 27275 1 67 149 GLU . 27275 1 68 150 ARG . 27275 1 69 151 ALA . 27275 1 70 152 ILE . 27275 1 71 153 CYS . 27275 1 72 154 ILE . 27275 1 73 155 ASP . 27275 1 74 156 PRO . 27275 1 75 157 ALA . 27275 1 76 158 TYR . 27275 1 77 159 SER . 27275 1 78 160 LYS . 27275 1 79 161 ALA . 27275 1 80 162 TYR . 27275 1 81 163 GLY . 27275 1 82 164 ARG . 27275 1 83 165 MET . 27275 1 84 166 GLY . 27275 1 85 167 LEU . 27275 1 86 168 ALA . 27275 1 87 169 LEU . 27275 1 88 170 SER . 27275 1 89 171 SER . 27275 1 90 172 LEU . 27275 1 91 173 ASN . 27275 1 92 174 LYS . 27275 1 93 175 HIS . 27275 1 94 176 VAL . 27275 1 95 177 GLU . 27275 1 96 178 ALA . 27275 1 97 179 VAL . 27275 1 98 180 ALA . 27275 1 99 181 TYR . 27275 1 100 182 TYR . 27275 1 101 183 LYS . 27275 1 102 184 LYS . 27275 1 103 185 ALA . 27275 1 104 186 LEU . 27275 1 105 187 GLU . 27275 1 106 188 LEU . 27275 1 107 189 ASP . 27275 1 108 190 PRO . 27275 1 109 191 ASP . 27275 1 110 192 ASN . 27275 1 111 193 GLU . 27275 1 112 194 THR . 27275 1 113 195 TYR . 27275 1 114 196 LYS . 27275 1 115 197 SER . 27275 1 116 198 ASN . 27275 1 117 199 LEU . 27275 1 118 200 LYS . 27275 1 119 201 ILE . 27275 1 120 202 ALA . 27275 1 121 203 GLU . 27275 1 122 204 LEU . 27275 1 123 205 LYS . 27275 1 124 206 LEU . 27275 1 125 207 ARG . 27275 1 126 208 GLU . 27275 1 127 209 ALA . 27275 1 128 210 PRO . 27275 1 129 211 SER . 27275 1 130 212 PRO . 27275 1 131 213 THR . 27275 1 132 214 GLY . 27275 1 133 215 GLY . 27275 1 134 216 VAL . 27275 1 135 217 GLY . 27275 1 136 218 SER . 27275 1 137 219 PHE . 27275 1 138 220 ASP . 27275 1 139 221 ILE . 27275 1 140 222 ALA . 27275 1 141 223 GLY . 27275 1 142 224 LEU . 27275 1 143 225 LEU . 27275 1 144 226 ASN . 27275 1 145 227 ASN . 27275 1 146 228 PRO . 27275 1 147 229 GLY . 27275 1 148 230 PHE . 27275 1 149 231 MET . 27275 1 150 232 SER . 27275 1 151 233 MET . 27275 1 152 234 ALA . 27275 1 153 235 SER . 27275 1 154 236 ASN . 27275 1 155 237 LEU . 27275 1 156 238 MET . 27275 1 157 239 ASN . 27275 1 158 240 ASN . 27275 1 159 241 PRO . 27275 1 160 242 GLN . 27275 1 161 243 ILE . 27275 1 162 244 GLN . 27275 1 163 245 GLN . 27275 1 164 246 LEU . 27275 1 165 247 MET . 27275 1 166 248 SER . 27275 1 167 249 GLY . 27275 1 168 250 MET . 27275 1 169 251 ILE . 27275 1 170 252 SER . 27275 1 171 253 GLY . 27275 1 172 254 GLY . 27275 1 173 255 ASN . 27275 1 174 256 ASN . 27275 1 175 257 PRO . 27275 1 176 258 LEU . 27275 1 177 259 GLY . 27275 1 178 260 THR . 27275 1 179 261 PRO . 27275 1 180 262 GLY . 27275 1 181 263 THR . 27275 1 182 264 SER . 27275 1 183 265 PRO . 27275 1 184 266 SER . 27275 1 185 267 GLN . 27275 1 186 268 ASN . 27275 1 187 269 ASP . 27275 1 188 270 LEU . 27275 1 189 271 ALA . 27275 1 190 272 SER . 27275 1 191 273 LEU . 27275 1 192 274 ILE . 27275 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 27275 1 . SER 2 2 27275 1 . GLU 3 3 27275 1 . GLU 4 4 27275 1 . ASP 5 5 27275 1 . SER 6 6 27275 1 . ALA 7 7 27275 1 . GLU 8 8 27275 1 . ALA 9 9 27275 1 . GLU 10 10 27275 1 . ARG 11 11 27275 1 . LEU 12 12 27275 1 . LYS 13 13 27275 1 . THR 14 14 27275 1 . GLU 15 15 27275 1 . GLY 16 16 27275 1 . ASN 17 17 27275 1 . GLU 18 18 27275 1 . GLN 19 19 27275 1 . MET 20 20 27275 1 . LYS 21 21 27275 1 . VAL 22 22 27275 1 . GLU 23 23 27275 1 . ASN 24 24 27275 1 . PHE 25 25 27275 1 . GLU 26 26 27275 1 . ALA 27 27 27275 1 . ALA 28 28 27275 1 . VAL 29 29 27275 1 . HIS 30 30 27275 1 . PHE 31 31 27275 1 . TYR 32 32 27275 1 . GLY 33 33 27275 1 . LYS 34 34 27275 1 . ALA 35 35 27275 1 . ILE 36 36 27275 1 . GLU 37 37 27275 1 . LEU 38 38 27275 1 . ASN 39 39 27275 1 . PRO 40 40 27275 1 . ALA 41 41 27275 1 . ASN 42 42 27275 1 . ALA 43 43 27275 1 . VAL 44 44 27275 1 . TYR 45 45 27275 1 . PHE 46 46 27275 1 . CYS 47 47 27275 1 . ASN 48 48 27275 1 . ARG 49 49 27275 1 . ALA 50 50 27275 1 . ALA 51 51 27275 1 . ALA 52 52 27275 1 . TYR 53 53 27275 1 . SER 54 54 27275 1 . LYS 55 55 27275 1 . LEU 56 56 27275 1 . GLY 57 57 27275 1 . ASN 58 58 27275 1 . TYR 59 59 27275 1 . ALA 60 60 27275 1 . GLY 61 61 27275 1 . ALA 62 62 27275 1 . VAL 63 63 27275 1 . GLN 64 64 27275 1 . ASP 65 65 27275 1 . CYS 66 66 27275 1 . GLU 67 67 27275 1 . ARG 68 68 27275 1 . ALA 69 69 27275 1 . ILE 70 70 27275 1 . CYS 71 71 27275 1 . ILE 72 72 27275 1 . ASP 73 73 27275 1 . PRO 74 74 27275 1 . ALA 75 75 27275 1 . TYR 76 76 27275 1 . SER 77 77 27275 1 . LYS 78 78 27275 1 . ALA 79 79 27275 1 . TYR 80 80 27275 1 . GLY 81 81 27275 1 . ARG 82 82 27275 1 . MET 83 83 27275 1 . GLY 84 84 27275 1 . LEU 85 85 27275 1 . ALA 86 86 27275 1 . LEU 87 87 27275 1 . SER 88 88 27275 1 . SER 89 89 27275 1 . LEU 90 90 27275 1 . ASN 91 91 27275 1 . LYS 92 92 27275 1 . HIS 93 93 27275 1 . VAL 94 94 27275 1 . GLU 95 95 27275 1 . ALA 96 96 27275 1 . VAL 97 97 27275 1 . ALA 98 98 27275 1 . TYR 99 99 27275 1 . TYR 100 100 27275 1 . LYS 101 101 27275 1 . LYS 102 102 27275 1 . ALA 103 103 27275 1 . LEU 104 104 27275 1 . GLU 105 105 27275 1 . LEU 106 106 27275 1 . ASP 107 107 27275 1 . PRO 108 108 27275 1 . ASP 109 109 27275 1 . ASN 110 110 27275 1 . GLU 111 111 27275 1 . THR 112 112 27275 1 . TYR 113 113 27275 1 . LYS 114 114 27275 1 . SER 115 115 27275 1 . ASN 116 116 27275 1 . LEU 117 117 27275 1 . LYS 118 118 27275 1 . ILE 119 119 27275 1 . ALA 120 120 27275 1 . GLU 121 121 27275 1 . LEU 122 122 27275 1 . LYS 123 123 27275 1 . LEU 124 124 27275 1 . ARG 125 125 27275 1 . GLU 126 126 27275 1 . ALA 127 127 27275 1 . PRO 128 128 27275 1 . SER 129 129 27275 1 . PRO 130 130 27275 1 . THR 131 131 27275 1 . GLY 132 132 27275 1 . GLY 133 133 27275 1 . VAL 134 134 27275 1 . GLY 135 135 27275 1 . SER 136 136 27275 1 . PHE 137 137 27275 1 . ASP 138 138 27275 1 . ILE 139 139 27275 1 . ALA 140 140 27275 1 . GLY 141 141 27275 1 . LEU 142 142 27275 1 . LEU 143 143 27275 1 . ASN 144 144 27275 1 . ASN 145 145 27275 1 . PRO 146 146 27275 1 . GLY 147 147 27275 1 . PHE 148 148 27275 1 . MET 149 149 27275 1 . SER 150 150 27275 1 . MET 151 151 27275 1 . ALA 152 152 27275 1 . SER 153 153 27275 1 . ASN 154 154 27275 1 . LEU 155 155 27275 1 . MET 156 156 27275 1 . ASN 157 157 27275 1 . ASN 158 158 27275 1 . PRO 159 159 27275 1 . GLN 160 160 27275 1 . ILE 161 161 27275 1 . GLN 162 162 27275 1 . GLN 163 163 27275 1 . LEU 164 164 27275 1 . MET 165 165 27275 1 . SER 166 166 27275 1 . GLY 167 167 27275 1 . MET 168 168 27275 1 . ILE 169 169 27275 1 . SER 170 170 27275 1 . GLY 171 171 27275 1 . GLY 172 172 27275 1 . ASN 173 173 27275 1 . ASN 174 174 27275 1 . PRO 175 175 27275 1 . LEU 176 176 27275 1 . GLY 177 177 27275 1 . THR 178 178 27275 1 . PRO 179 179 27275 1 . GLY 180 180 27275 1 . THR 181 181 27275 1 . SER 182 182 27275 1 . PRO 183 183 27275 1 . SER 184 184 27275 1 . GLN 185 185 27275 1 . ASN 186 186 27275 1 . ASP 187 187 27275 1 . LEU 188 188 27275 1 . ALA 189 189 27275 1 . SER 190 190 27275 1 . LEU 191 191 27275 1 . ILE 192 192 27275 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 27275 _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 $SGTA_TPR-NNP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27275 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 27275 _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 $SGTA_TPR-NNP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pET28_Txr_6xH_TEV . . . 27275 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27275 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SGTA_TPR-NNP '[U-100% 13C; U-100% 15N]' . . 1 $SGTA_TPR-NNP . . 900 . . uM . . . . 27275 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27275 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27275 1 4 TCEP 'natural abundance' . . . . . . 250 . . uM . . . . 27275 1 5 DDM 'natural abundance' . . . . . . 0.025 . . % . . . . 27275 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 27275 _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' 130 . mM 27275 1 pH 6.0 . pH 27275 1 pressure 1 . atm 27275 1 temperature 298 . K 27275 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27275 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27275 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27275 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27275 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27275 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27275 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27275 _Software.ID 3 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27275 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27275 3 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 27275 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27275 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27275 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 27275 _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 . . . . . . . . . . . . . . . . 27275 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27275 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27275 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27275 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27275 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27275 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 27275 _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 . . . . . 27275 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27275 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27275 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 27275 _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' . . . 27275 1 2 '3D HNCA' . . . 27275 1 3 '3D CBCA(CO)NH' . . . 27275 1 4 '3D HNCACB' . . . 27275 1 5 '3D HNCO' . . . 27275 1 6 '3D HN(CA)CO' . . . 27275 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.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 2 2 SER C C 13 176.405 0.000 . 1 . . . . . 84 SER C . 27275 1 2 . 1 1 2 2 SER CA C 13 60.480 0.000 . 1 . . . . . 84 SER CA . 27275 1 3 . 1 1 2 2 SER CB C 13 63.820 0.026 . 1 . . . . . 84 SER CB . 27275 1 4 . 1 1 3 3 GLU H H 1 9.208 0.002 . 1 . . . . . 85 GLU H . 27275 1 5 . 1 1 3 3 GLU C C 13 179.101 0.010 . 1 . . . . . 85 GLU C . 27275 1 6 . 1 1 3 3 GLU CA C 13 59.726 0.000 . 1 . . . . . 85 GLU CA . 27275 1 7 . 1 1 3 3 GLU CB C 13 28.961 0.001 . 1 . . . . . 85 GLU CB . 27275 1 8 . 1 1 3 3 GLU N N 15 123.917 0.042 . 1 . . . . . 85 GLU N . 27275 1 9 . 1 1 4 4 GLU H H 1 8.517 0.002 . 1 . . . . . 86 GLU H . 27275 1 10 . 1 1 4 4 GLU C C 13 179.168 0.009 . 1 . . . . . 86 GLU C . 27275 1 11 . 1 1 4 4 GLU CA C 13 59.887 0.000 . 1 . . . . . 86 GLU CA . 27275 1 12 . 1 1 4 4 GLU CB C 13 28.821 0.030 . 1 . . . . . 86 GLU CB . 27275 1 13 . 1 1 4 4 GLU N N 15 121.552 0.019 . 1 . . . . . 86 GLU N . 27275 1 14 . 1 1 5 5 ASP H H 1 8.304 0.003 . 1 . . . . . 87 ASP H . 27275 1 15 . 1 1 5 5 ASP C C 13 178.118 0.028 . 1 . . . . . 87 ASP C . 27275 1 16 . 1 1 5 5 ASP CA C 13 57.277 0.000 . 1 . . . . . 87 ASP CA . 27275 1 17 . 1 1 5 5 ASP CB C 13 40.109 0.084 . 1 . . . . . 87 ASP CB . 27275 1 18 . 1 1 5 5 ASP N N 15 122.572 0.038 . 1 . . . . . 87 ASP N . 27275 1 19 . 1 1 6 6 SER H H 1 8.311 0.002 . 1 . . . . . 88 SER H . 27275 1 20 . 1 1 6 6 SER C C 13 176.748 0.000 . 1 . . . . . 88 SER C . 27275 1 21 . 1 1 6 6 SER CA C 13 61.608 0.030 . 1 . . . . . 88 SER CA . 27275 1 22 . 1 1 6 6 SER CB C 13 62.915 0.014 . 1 . . . . . 88 SER CB . 27275 1 23 . 1 1 6 6 SER N N 15 116.094 0.025 . 1 . . . . . 88 SER N . 27275 1 24 . 1 1 7 7 ALA H H 1 7.975 0.003 . 1 . . . . . 89 ALA H . 27275 1 25 . 1 1 7 7 ALA C C 13 180.915 0.025 . 1 . . . . . 89 ALA C . 27275 1 26 . 1 1 7 7 ALA CA C 13 55.094 0.000 . 1 . . . . . 89 ALA CA . 27275 1 27 . 1 1 7 7 ALA CB C 13 18.018 0.054 . 1 . . . . . 89 ALA CB . 27275 1 28 . 1 1 7 7 ALA N N 15 125.506 0.128 . 1 . . . . . 89 ALA N . 27275 1 29 . 1 1 8 8 GLU H H 1 8.275 0.002 . 1 . . . . . 90 GLU H . 27275 1 30 . 1 1 8 8 GLU C C 13 178.449 0.004 . 1 . . . . . 90 GLU C . 27275 1 31 . 1 1 8 8 GLU CA C 13 58.457 0.000 . 1 . . . . . 90 GLU CA . 27275 1 32 . 1 1 8 8 GLU CB C 13 28.855 0.125 . 1 . . . . . 90 GLU CB . 27275 1 33 . 1 1 8 8 GLU N N 15 122.600 0.111 . 1 . . . . . 90 GLU N . 27275 1 34 . 1 1 9 9 ALA H H 1 8.641 0.003 . 1 . . . . . 91 ALA H . 27275 1 35 . 1 1 9 9 ALA C C 13 179.191 0.018 . 1 . . . . . 91 ALA C . 27275 1 36 . 1 1 9 9 ALA CA C 13 55.819 0.000 . 1 . . . . . 91 ALA CA . 27275 1 37 . 1 1 9 9 ALA CB C 13 18.374 0.008 . 1 . . . . . 91 ALA CB . 27275 1 38 . 1 1 9 9 ALA N N 15 123.523 0.049 . 1 . . . . . 91 ALA N . 27275 1 39 . 1 1 10 10 GLU H H 1 7.822 0.003 . 1 . . . . . 92 GLU H . 27275 1 40 . 1 1 10 10 GLU C C 13 179.445 0.065 . 1 . . . . . 92 GLU C . 27275 1 41 . 1 1 10 10 GLU CA C 13 58.927 0.025 . 1 . . . . . 92 GLU CA . 27275 1 42 . 1 1 10 10 GLU CB C 13 30.095 0.083 . 1 . . . . . 92 GLU CB . 27275 1 43 . 1 1 10 10 GLU N N 15 116.554 0.035 . 1 . . . . . 92 GLU N . 27275 1 44 . 1 1 11 11 ARG H H 1 7.944 0.002 . 1 . . . . . 93 ARG H . 27275 1 45 . 1 1 11 11 ARG C C 13 179.794 0.005 . 1 . . . . . 93 ARG C . 27275 1 46 . 1 1 11 11 ARG CA C 13 60.183 0.000 . 1 . . . . . 93 ARG CA . 27275 1 47 . 1 1 11 11 ARG CB C 13 29.593 0.002 . 1 . . . . . 93 ARG CB . 27275 1 48 . 1 1 11 11 ARG N N 15 124.369 0.069 . 1 . . . . . 93 ARG N . 27275 1 49 . 1 1 12 12 LEU H H 1 8.376 0.005 . 1 . . . . . 94 LEU H . 27275 1 50 . 1 1 12 12 LEU C C 13 179.067 0.050 . 1 . . . . . 94 LEU C . 27275 1 51 . 1 1 12 12 LEU CA C 13 58.121 0.000 . 1 . . . . . 94 LEU CA . 27275 1 52 . 1 1 12 12 LEU CB C 13 41.507 0.003 . 1 . . . . . 94 LEU CB . 27275 1 53 . 1 1 12 12 LEU N N 15 123.231 0.042 . 1 . . . . . 94 LEU N . 27275 1 54 . 1 1 13 13 LYS H H 1 8.595 0.006 . 1 . . . . . 95 LYS H . 27275 1 55 . 1 1 13 13 LYS C C 13 178.148 0.037 . 1 . . . . . 95 LYS C . 27275 1 56 . 1 1 13 13 LYS CA C 13 60.091 0.000 . 1 . . . . . 95 LYS CA . 27275 1 57 . 1 1 13 13 LYS CB C 13 30.001 0.001 . 1 . . . . . 95 LYS CB . 27275 1 58 . 1 1 13 13 LYS N N 15 121.975 0.088 . 1 . . . . . 95 LYS N . 27275 1 59 . 1 1 14 14 THR H H 1 8.224 0.002 . 1 . . . . . 96 THR H . 27275 1 60 . 1 1 14 14 THR CA C 13 67.726 0.000 . 1 . . . . . 96 THR CA . 27275 1 61 . 1 1 14 14 THR N N 15 118.496 0.006 . 1 . . . . . 96 THR N . 27275 1 62 . 1 1 15 15 GLU H H 1 7.894 0.004 . 1 . . . . . 97 GLU H . 27275 1 63 . 1 1 15 15 GLU C C 13 179.924 0.000 . 1 . . . . . 97 GLU C . 27275 1 64 . 1 1 15 15 GLU CA C 13 59.220 0.000 . 1 . . . . . 97 GLU CA . 27275 1 65 . 1 1 15 15 GLU CB C 13 27.662 0.054 . 1 . . . . . 97 GLU CB . 27275 1 66 . 1 1 15 15 GLU N N 15 123.081 0.024 . 1 . . . . . 97 GLU N . 27275 1 67 . 1 1 16 16 GLY H H 1 8.455 0.008 . 1 . . . . . 98 GLY H . 27275 1 68 . 1 1 16 16 GLY C C 13 174.758 0.007 . 1 . . . . . 98 GLY C . 27275 1 69 . 1 1 16 16 GLY CA C 13 48.183 0.019 . 1 . . . . . 98 GLY CA . 27275 1 70 . 1 1 16 16 GLY N N 15 108.661 0.067 . 1 . . . . . 98 GLY N . 27275 1 71 . 1 1 17 17 ASN H H 1 8.781 0.001 . 1 . . . . . 99 ASN H . 27275 1 72 . 1 1 17 17 ASN C C 13 179.135 0.044 . 1 . . . . . 99 ASN C . 27275 1 73 . 1 1 17 17 ASN CA C 13 55.731 0.000 . 1 . . . . . 99 ASN CA . 27275 1 74 . 1 1 17 17 ASN CB C 13 37.031 0.013 . 1 . . . . . 99 ASN CB . 27275 1 75 . 1 1 17 17 ASN N N 15 122.031 0.051 . 1 . . . . . 99 ASN N . 27275 1 76 . 1 1 18 18 GLU H H 1 8.248 0.007 . 1 . . . . . 100 GLU H . 27275 1 77 . 1 1 18 18 GLU C C 13 179.611 0.048 . 1 . . . . . 100 GLU C . 27275 1 78 . 1 1 18 18 GLU CA C 13 59.153 0.000 . 1 . . . . . 100 GLU CA . 27275 1 79 . 1 1 18 18 GLU CB C 13 28.805 0.002 . 1 . . . . . 100 GLU CB . 27275 1 80 . 1 1 18 18 GLU N N 15 122.652 0.024 . 1 . . . . . 100 GLU N . 27275 1 81 . 1 1 19 19 GLN H H 1 7.891 0.005 . 1 . . . . . 101 GLN H . 27275 1 82 . 1 1 19 19 GLN C C 13 179.055 0.000 . 1 . . . . . 101 GLN C . 27275 1 83 . 1 1 19 19 GLN CA C 13 57.221 0.000 . 1 . . . . . 101 GLN CA . 27275 1 84 . 1 1 19 19 GLN CB C 13 26.557 0.025 . 1 . . . . . 101 GLN CB . 27275 1 85 . 1 1 19 19 GLN N N 15 119.102 0.053 . 1 . . . . . 101 GLN N . 27275 1 86 . 1 1 20 20 MET H H 1 8.275 0.003 . 1 . . . . . 102 MET H . 27275 1 87 . 1 1 20 20 MET C C 13 180.797 0.024 . 1 . . . . . 102 MET C . 27275 1 88 . 1 1 20 20 MET CA C 13 57.545 0.000 . 1 . . . . . 102 MET CA . 27275 1 89 . 1 1 20 20 MET CB C 13 30.692 0.017 . 1 . . . . . 102 MET CB . 27275 1 90 . 1 1 20 20 MET N N 15 119.561 0.040 . 1 . . . . . 102 MET N . 27275 1 91 . 1 1 21 21 LYS H H 1 7.568 0.002 . 1 . . . . . 103 LYS H . 27275 1 92 . 1 1 21 21 LYS C C 13 178.276 0.031 . 1 . . . . . 103 LYS C . 27275 1 93 . 1 1 21 21 LYS CA C 13 59.561 0.000 . 1 . . . . . 103 LYS CA . 27275 1 94 . 1 1 21 21 LYS CB C 13 32.529 0.063 . 1 . . . . . 103 LYS CB . 27275 1 95 . 1 1 21 21 LYS N N 15 120.482 0.025 . 1 . . . . . 103 LYS N . 27275 1 96 . 1 1 22 22 VAL H H 1 6.985 0.004 . 1 . . . . . 104 VAL H . 27275 1 97 . 1 1 22 22 VAL C C 13 174.725 0.091 . 1 . . . . . 104 VAL C . 27275 1 98 . 1 1 22 22 VAL CA C 13 60.540 0.082 . 1 . . . . . 104 VAL CA . 27275 1 99 . 1 1 22 22 VAL CB C 13 30.470 0.001 . 1 . . . . . 104 VAL CB . 27275 1 100 . 1 1 22 22 VAL N N 15 109.120 0.063 . 1 . . . . . 104 VAL N . 27275 1 101 . 1 1 23 23 GLU H H 1 7.516 0.004 . 1 . . . . . 105 GLU H . 27275 1 102 . 1 1 23 23 GLU C C 13 174.304 0.067 . 1 . . . . . 105 GLU C . 27275 1 103 . 1 1 23 23 GLU CA C 13 57.225 0.030 . 1 . . . . . 105 GLU CA . 27275 1 104 . 1 1 23 23 GLU CB C 13 25.239 0.037 . 1 . . . . . 105 GLU CB . 27275 1 105 . 1 1 23 23 GLU N N 15 114.810 0.041 . 1 . . . . . 105 GLU N . 27275 1 106 . 1 1 24 24 ASN H H 1 7.984 0.003 . 1 . . . . . 106 ASN H . 27275 1 107 . 1 1 24 24 ASN C C 13 176.033 0.058 . 1 . . . . . 106 ASN C . 27275 1 108 . 1 1 24 24 ASN CA C 13 50.363 0.000 . 1 . . . . . 106 ASN CA . 27275 1 109 . 1 1 24 24 ASN CB C 13 36.274 0.033 . 1 . . . . . 106 ASN CB . 27275 1 110 . 1 1 24 24 ASN N N 15 118.931 0.060 . 1 . . . . . 106 ASN N . 27275 1 111 . 1 1 25 25 PHE H H 1 7.064 0.004 . 1 . . . . . 107 PHE H . 27275 1 112 . 1 1 25 25 PHE C C 13 177.959 0.060 . 1 . . . . . 107 PHE C . 27275 1 113 . 1 1 25 25 PHE CA C 13 60.526 0.021 . 1 . . . . . 107 PHE CA . 27275 1 114 . 1 1 25 25 PHE CB C 13 38.287 0.035 . 1 . . . . . 107 PHE CB . 27275 1 115 . 1 1 25 25 PHE N N 15 120.912 0.071 . 1 . . . . . 107 PHE N . 27275 1 116 . 1 1 26 26 GLU H H 1 9.103 0.004 . 1 . . . . . 108 GLU H . 27275 1 117 . 1 1 26 26 GLU C C 13 179.396 0.029 . 1 . . . . . 108 GLU C . 27275 1 118 . 1 1 26 26 GLU CA C 13 60.435 0.000 . 1 . . . . . 108 GLU CA . 27275 1 119 . 1 1 26 26 GLU CB C 13 29.107 0.077 . 1 . . . . . 108 GLU CB . 27275 1 120 . 1 1 26 26 GLU N N 15 119.440 0.057 . 1 . . . . . 108 GLU N . 27275 1 121 . 1 1 27 27 ALA H H 1 7.507 0.002 . 1 . . . . . 109 ALA H . 27275 1 122 . 1 1 27 27 ALA C C 13 179.806 0.002 . 1 . . . . . 109 ALA C . 27275 1 123 . 1 1 27 27 ALA CA C 13 54.509 0.002 . 1 . . . . . 109 ALA CA . 27275 1 124 . 1 1 27 27 ALA CB C 13 18.275 0.000 . 1 . . . . . 109 ALA CB . 27275 1 125 . 1 1 27 27 ALA N N 15 122.622 0.057 . 1 . . . . . 109 ALA N . 27275 1 126 . 1 1 28 28 ALA H H 1 7.968 0.005 . 1 . . . . . 110 ALA H . 27275 1 127 . 1 1 28 28 ALA C C 13 177.996 0.052 . 1 . . . . . 110 ALA C . 27275 1 128 . 1 1 28 28 ALA CA C 13 56.488 0.000 . 1 . . . . . 110 ALA CA . 27275 1 129 . 1 1 28 28 ALA CB C 13 18.300 0.025 . 1 . . . . . 110 ALA CB . 27275 1 130 . 1 1 28 28 ALA N N 15 121.146 0.066 . 1 . . . . . 110 ALA N . 27275 1 131 . 1 1 29 29 VAL H H 1 8.177 0.003 . 1 . . . . . 111 VAL H . 27275 1 132 . 1 1 29 29 VAL C C 13 178.984 0.000 . 1 . . . . . 111 VAL C . 27275 1 133 . 1 1 29 29 VAL CA C 13 68.360 0.000 . 1 . . . . . 111 VAL CA . 27275 1 134 . 1 1 29 29 VAL CB C 13 31.872 0.024 . 1 . . . . . 111 VAL CB . 27275 1 135 . 1 1 29 29 VAL N N 15 116.865 0.037 . 1 . . . . . 111 VAL N . 27275 1 136 . 1 1 30 30 HIS H H 1 7.491 0.005 . 1 . . . . . 112 HIS H . 27275 1 137 . 1 1 30 30 HIS C C 13 177.999 0.024 . 1 . . . . . 112 HIS C . 27275 1 138 . 1 1 30 30 HIS CA C 13 59.323 0.051 . 1 . . . . . 112 HIS CA . 27275 1 139 . 1 1 30 30 HIS CB C 13 28.711 0.007 . 1 . . . . . 112 HIS CB . 27275 1 140 . 1 1 30 30 HIS N N 15 120.092 0.077 . 1 . . . . . 112 HIS N . 27275 1 141 . 1 1 31 31 PHE H H 1 8.143 0.005 . 1 . . . . . 113 PHE H . 27275 1 142 . 1 1 31 31 PHE C C 13 178.549 0.034 . 1 . . . . . 113 PHE C . 27275 1 143 . 1 1 31 31 PHE CA C 13 63.337 0.000 . 1 . . . . . 113 PHE CA . 27275 1 144 . 1 1 31 31 PHE CB C 13 43.547 0.045 . 1 . . . . . 113 PHE CB . 27275 1 145 . 1 1 31 31 PHE N N 15 119.773 0.063 . 1 . . . . . 113 PHE N . 27275 1 146 . 1 1 32 32 TYR H H 1 8.841 0.008 . 1 . . . . . 114 TYR H . 27275 1 147 . 1 1 32 32 TYR C C 13 178.488 0.033 . 1 . . . . . 114 TYR C . 27275 1 148 . 1 1 32 32 TYR CA C 13 59.016 0.000 . 1 . . . . . 114 TYR CA . 27275 1 149 . 1 1 32 32 TYR CB C 13 37.460 0.036 . 1 . . . . . 114 TYR CB . 27275 1 150 . 1 1 32 32 TYR N N 15 117.266 0.086 . 1 . . . . . 114 TYR N . 27275 1 151 . 1 1 33 33 GLY H H 1 8.368 0.003 . 1 . . . . . 115 GLY H . 27275 1 152 . 1 1 33 33 GLY C C 13 176.615 0.029 . 1 . . . . . 115 GLY C . 27275 1 153 . 1 1 33 33 GLY CA C 13 47.556 0.000 . 1 . . . . . 115 GLY CA . 27275 1 154 . 1 1 33 33 GLY N N 15 105.830 0.030 . 1 . . . . . 115 GLY N . 27275 1 155 . 1 1 34 34 LYS H H 1 7.603 0.002 . 1 . . . . . 116 LYS H . 27275 1 156 . 1 1 34 34 LYS C C 13 178.879 0.098 . 1 . . . . . 116 LYS C . 27275 1 157 . 1 1 34 34 LYS CA C 13 58.241 0.079 . 1 . . . . . 116 LYS CA . 27275 1 158 . 1 1 34 34 LYS CB C 13 31.932 0.073 . 1 . . . . . 116 LYS CB . 27275 1 159 . 1 1 34 34 LYS N N 15 122.995 0.117 . 1 . . . . . 116 LYS N . 27275 1 160 . 1 1 35 35 ALA H H 1 7.821 0.002 . 1 . . . . . 117 ALA H . 27275 1 161 . 1 1 35 35 ALA C C 13 178.615 0.000 . 1 . . . . . 117 ALA C . 27275 1 162 . 1 1 35 35 ALA CA C 13 55.868 0.041 . 1 . . . . . 117 ALA CA . 27275 1 163 . 1 1 35 35 ALA CB C 13 16.441 0.011 . 1 . . . . . 117 ALA CB . 27275 1 164 . 1 1 35 35 ALA N N 15 124.466 0.072 . 1 . . . . . 117 ALA N . 27275 1 165 . 1 1 36 36 ILE H H 1 7.847 0.003 . 1 . . . . . 118 ILE H . 27275 1 166 . 1 1 36 36 ILE C C 13 177.062 0.091 . 1 . . . . . 118 ILE C . 27275 1 167 . 1 1 36 36 ILE CA C 13 64.721 0.000 . 1 . . . . . 118 ILE CA . 27275 1 168 . 1 1 36 36 ILE CB C 13 39.096 0.121 . 1 . . . . . 118 ILE CB . 27275 1 169 . 1 1 36 36 ILE N N 15 119.187 0.057 . 1 . . . . . 118 ILE N . 27275 1 170 . 1 1 37 37 GLU H H 1 7.463 0.002 . 1 . . . . . 119 GLU H . 27275 1 171 . 1 1 37 37 GLU C C 13 178.973 0.084 . 1 . . . . . 119 GLU C . 27275 1 172 . 1 1 37 37 GLU CA C 13 58.973 0.114 . 1 . . . . . 119 GLU CA . 27275 1 173 . 1 1 37 37 GLU CB C 13 29.973 0.042 . 1 . . . . . 119 GLU CB . 27275 1 174 . 1 1 37 37 GLU N N 15 117.627 0.068 . 1 . . . . . 119 GLU N . 27275 1 175 . 1 1 38 38 LEU H H 1 7.158 0.005 . 1 . . . . . 120 LEU H . 27275 1 176 . 1 1 38 38 LEU C C 13 178.062 0.005 . 1 . . . . . 120 LEU C . 27275 1 177 . 1 1 38 38 LEU CA C 13 56.417 0.095 . 1 . . . . . 120 LEU CA . 27275 1 178 . 1 1 38 38 LEU CB C 13 44.094 0.035 . 1 . . . . . 120 LEU CB . 27275 1 179 . 1 1 38 38 LEU N N 15 117.737 0.079 . 1 . . . . . 120 LEU N . 27275 1 180 . 1 1 39 39 ASN H H 1 8.322 0.003 . 1 . . . . . 121 ASN H . 27275 1 181 . 1 1 39 39 ASN C C 13 171.792 0.000 . 1 . . . . . 121 ASN C . 27275 1 182 . 1 1 39 39 ASN CA C 13 50.919 0.000 . 1 . . . . . 121 ASN CA . 27275 1 183 . 1 1 39 39 ASN CB C 13 38.643 0.000 . 1 . . . . . 121 ASN CB . 27275 1 184 . 1 1 39 39 ASN N N 15 114.973 0.059 . 1 . . . . . 121 ASN N . 27275 1 185 . 1 1 40 40 PRO C C 13 176.028 0.000 . 1 . . . . . 122 PRO C . 27275 1 186 . 1 1 40 40 PRO CA C 13 63.854 0.000 . 1 . . . . . 122 PRO CA . 27275 1 187 . 1 1 40 40 PRO CB C 13 31.539 0.000 . 1 . . . . . 122 PRO CB . 27275 1 188 . 1 1 41 41 ALA H H 1 7.585 0.002 . 1 . . . . . 123 ALA H . 27275 1 189 . 1 1 41 41 ALA C C 13 175.538 0.028 . 1 . . . . . 123 ALA C . 27275 1 190 . 1 1 41 41 ALA CA C 13 50.628 0.000 . 1 . . . . . 123 ALA CA . 27275 1 191 . 1 1 41 41 ALA CB C 13 18.747 0.045 . 1 . . . . . 123 ALA CB . 27275 1 192 . 1 1 41 41 ALA N N 15 122.617 0.069 . 1 . . . . . 123 ALA N . 27275 1 193 . 1 1 42 42 ASN H H 1 7.613 0.004 . 1 . . . . . 124 ASN H . 27275 1 194 . 1 1 42 42 ASN C C 13 175.240 0.037 . 1 . . . . . 124 ASN C . 27275 1 195 . 1 1 42 42 ASN CA C 13 52.331 0.048 . 1 . . . . . 124 ASN CA . 27275 1 196 . 1 1 42 42 ASN CB C 13 39.391 0.072 . 1 . . . . . 124 ASN CB . 27275 1 197 . 1 1 42 42 ASN N N 15 118.690 0.055 . 1 . . . . . 124 ASN N . 27275 1 198 . 1 1 43 43 ALA H H 1 9.090 0.002 . 1 . . . . . 125 ALA H . 27275 1 199 . 1 1 43 43 ALA C C 13 179.074 0.017 . 1 . . . . . 125 ALA C . 27275 1 200 . 1 1 43 43 ALA CA C 13 55.728 0.012 . 1 . . . . . 125 ALA CA . 27275 1 201 . 1 1 43 43 ALA CB C 13 19.603 0.095 . 1 . . . . . 125 ALA CB . 27275 1 202 . 1 1 43 43 ALA N N 15 128.347 0.078 . 1 . . . . . 125 ALA N . 27275 1 203 . 1 1 44 44 VAL H H 1 7.770 0.003 . 1 . . . . . 126 VAL H . 27275 1 204 . 1 1 44 44 VAL C C 13 178.745 0.044 . 1 . . . . . 126 VAL C . 27275 1 205 . 1 1 44 44 VAL CA C 13 65.529 0.067 . 1 . . . . . 126 VAL CA . 27275 1 206 . 1 1 44 44 VAL CB C 13 31.359 0.017 . 1 . . . . . 126 VAL CB . 27275 1 207 . 1 1 44 44 VAL N N 15 116.843 0.071 . 1 . . . . . 126 VAL N . 27275 1 208 . 1 1 45 45 TYR H H 1 6.981 0.004 . 1 . . . . . 127 TYR H . 27275 1 209 . 1 1 45 45 TYR C C 13 178.388 0.010 . 1 . . . . . 127 TYR C . 27275 1 210 . 1 1 45 45 TYR CA C 13 57.944 0.145 . 1 . . . . . 127 TYR CA . 27275 1 211 . 1 1 45 45 TYR CB C 13 36.517 0.033 . 1 . . . . . 127 TYR CB . 27275 1 212 . 1 1 45 45 TYR N N 15 118.186 0.053 . 1 . . . . . 127 TYR N . 27275 1 213 . 1 1 46 46 PHE H H 1 6.809 0.005 . 1 . . . . . 128 PHE H . 27275 1 214 . 1 1 46 46 PHE C C 13 177.498 0.001 . 1 . . . . . 128 PHE C . 27275 1 215 . 1 1 46 46 PHE CA C 13 62.838 0.084 . 1 . . . . . 128 PHE CA . 27275 1 216 . 1 1 46 46 PHE CB C 13 39.985 0.000 . 1 . . . . . 128 PHE CB . 27275 1 217 . 1 1 46 46 PHE N N 15 116.033 0.040 . 1 . . . . . 128 PHE N . 27275 1 218 . 1 1 47 47 CYS H H 1 8.136 0.003 . 1 . . . . . 129 CYS H . 27275 1 219 . 1 1 47 47 CYS C C 13 176.921 0.000 . 1 . . . . . 129 CYS C . 27275 1 220 . 1 1 47 47 CYS CA C 13 63.166 0.000 . 1 . . . . . 129 CYS CA . 27275 1 221 . 1 1 47 47 CYS CB C 13 27.373 0.015 . 1 . . . . . 129 CYS CB . 27275 1 222 . 1 1 47 47 CYS N N 15 119.776 0.026 . 1 . . . . . 129 CYS N . 27275 1 223 . 1 1 48 48 ASN H H 1 8.727 0.002 . 1 . . . . . 130 ASN H . 27275 1 224 . 1 1 48 48 ASN C C 13 177.462 0.034 . 1 . . . . . 130 ASN C . 27275 1 225 . 1 1 48 48 ASN CA C 13 55.196 0.000 . 1 . . . . . 130 ASN CA . 27275 1 226 . 1 1 48 48 ASN CB C 13 35.178 0.052 . 1 . . . . . 130 ASN CB . 27275 1 227 . 1 1 48 48 ASN N N 15 120.571 0.069 . 1 . . . . . 130 ASN N . 27275 1 228 . 1 1 49 49 ARG H H 1 7.915 0.004 . 1 . . . . . 131 ARG H . 27275 1 229 . 1 1 49 49 ARG C C 13 177.619 0.063 . 1 . . . . . 131 ARG C . 27275 1 230 . 1 1 49 49 ARG CA C 13 61.560 0.000 . 1 . . . . . 131 ARG CA . 27275 1 231 . 1 1 49 49 ARG CB C 13 29.339 0.035 . 1 . . . . . 131 ARG CB . 27275 1 232 . 1 1 49 49 ARG N N 15 123.139 0.049 . 1 . . . . . 131 ARG N . 27275 1 233 . 1 1 50 50 ALA H H 1 8.574 0.001 . 1 . . . . . 132 ALA H . 27275 1 234 . 1 1 50 50 ALA C C 13 180.541 0.028 . 1 . . . . . 132 ALA C . 27275 1 235 . 1 1 50 50 ALA CA C 13 55.842 0.020 . 1 . . . . . 132 ALA CA . 27275 1 236 . 1 1 50 50 ALA CB C 13 19.907 0.015 . 1 . . . . . 132 ALA CB . 27275 1 237 . 1 1 50 50 ALA N N 15 121.613 0.043 . 1 . . . . . 132 ALA N . 27275 1 238 . 1 1 51 51 ALA H H 1 7.805 0.002 . 1 . . . . . 133 ALA H . 27275 1 239 . 1 1 51 51 ALA C C 13 180.163 0.081 . 1 . . . . . 133 ALA C . 27275 1 240 . 1 1 51 51 ALA CA C 13 55.263 0.000 . 1 . . . . . 133 ALA CA . 27275 1 241 . 1 1 51 51 ALA CB C 13 17.771 0.020 . 1 . . . . . 133 ALA CB . 27275 1 242 . 1 1 51 51 ALA N N 15 121.826 0.039 . 1 . . . . . 133 ALA N . 27275 1 243 . 1 1 52 52 ALA H H 1 7.601 0.001 . 1 . . . . . 134 ALA H . 27275 1 244 . 1 1 52 52 ALA C C 13 179.246 0.084 . 1 . . . . . 134 ALA C . 27275 1 245 . 1 1 52 52 ALA CA C 13 55.969 0.073 . 1 . . . . . 134 ALA CA . 27275 1 246 . 1 1 52 52 ALA CB C 13 19.040 0.064 . 1 . . . . . 134 ALA CB . 27275 1 247 . 1 1 52 52 ALA N N 15 123.265 0.033 . 1 . . . . . 134 ALA N . 27275 1 248 . 1 1 53 53 TYR H H 1 9.172 0.004 . 1 . . . . . 135 TYR H . 27275 1 249 . 1 1 53 53 TYR C C 13 180.087 0.016 . 1 . . . . . 135 TYR C . 27275 1 250 . 1 1 53 53 TYR CA C 13 58.875 0.000 . 1 . . . . . 135 TYR CA . 27275 1 251 . 1 1 53 53 TYR CB C 13 36.745 0.101 . 1 . . . . . 135 TYR CB . 27275 1 252 . 1 1 53 53 TYR N N 15 117.181 0.071 . 1 . . . . . 135 TYR N . 27275 1 253 . 1 1 54 54 SER H H 1 8.414 0.000 . 1 . . . . . 136 SER H . 27275 1 254 . 1 1 54 54 SER C C 13 177.095 0.000 . 1 . . . . . 136 SER C . 27275 1 255 . 1 1 54 54 SER CA C 13 63.095 0.000 . 1 . . . . . 136 SER CA . 27275 1 256 . 1 1 54 54 SER CB C 13 63.512 0.000 . 1 . . . . . 136 SER CB . 27275 1 257 . 1 1 54 54 SER N N 15 116.518 0.033 . 1 . . . . . 136 SER N . 27275 1 258 . 1 1 55 55 LYS H H 1 7.317 0.002 . 1 . . . . . 137 LYS H . 27275 1 259 . 1 1 55 55 LYS C C 13 178.436 0.043 . 1 . . . . . 137 LYS C . 27275 1 260 . 1 1 55 55 LYS CA C 13 57.192 0.034 . 1 . . . . . 137 LYS CA . 27275 1 261 . 1 1 55 55 LYS CB C 13 30.069 0.025 . 1 . . . . . 137 LYS CB . 27275 1 262 . 1 1 55 55 LYS N N 15 122.483 0.023 . 1 . . . . . 137 LYS N . 27275 1 263 . 1 1 56 56 LEU H H 1 7.201 0.005 . 1 . . . . . 138 LEU H . 27275 1 264 . 1 1 56 56 LEU C C 13 177.217 0.011 . 1 . . . . . 138 LEU C . 27275 1 265 . 1 1 56 56 LEU CA C 13 55.168 0.079 . 1 . . . . . 138 LEU CA . 27275 1 266 . 1 1 56 56 LEU CB C 13 43.248 0.091 . 1 . . . . . 138 LEU CB . 27275 1 267 . 1 1 56 56 LEU N N 15 118.022 0.050 . 1 . . . . . 138 LEU N . 27275 1 268 . 1 1 57 57 GLY H H 1 7.536 0.003 . 1 . . . . . 139 GLY H . 27275 1 269 . 1 1 57 57 GLY C C 13 173.317 0.067 . 1 . . . . . 139 GLY C . 27275 1 270 . 1 1 57 57 GLY CA C 13 44.688 0.021 . 1 . . . . . 139 GLY CA . 27275 1 271 . 1 1 57 57 GLY N N 15 108.306 0.030 . 1 . . . . . 139 GLY N . 27275 1 272 . 1 1 58 58 ASN H H 1 8.021 0.004 . 1 . . . . . 140 ASN H . 27275 1 273 . 1 1 58 58 ASN C C 13 175.540 0.045 . 1 . . . . . 140 ASN C . 27275 1 274 . 1 1 58 58 ASN CA C 13 49.623 0.000 . 1 . . . . . 140 ASN CA . 27275 1 275 . 1 1 58 58 ASN CB C 13 35.804 0.015 . 1 . . . . . 140 ASN CB . 27275 1 276 . 1 1 58 58 ASN N N 15 120.144 0.056 . 1 . . . . . 140 ASN N . 27275 1 277 . 1 1 59 59 TYR H H 1 7.118 0.003 . 1 . . . . . 141 TYR H . 27275 1 278 . 1 1 59 59 TYR C C 13 177.732 0.024 . 1 . . . . . 141 TYR C . 27275 1 279 . 1 1 59 59 TYR CA C 13 60.908 0.094 . 1 . . . . . 141 TYR CA . 27275 1 280 . 1 1 59 59 TYR CB C 13 37.340 0.074 . 1 . . . . . 141 TYR CB . 27275 1 281 . 1 1 59 59 TYR N N 15 122.491 0.042 . 1 . . . . . 141 TYR N . 27275 1 282 . 1 1 60 60 ALA H H 1 8.893 0.003 . 1 . . . . . 142 ALA H . 27275 1 283 . 1 1 60 60 ALA C C 13 180.730 0.001 . 1 . . . . . 142 ALA C . 27275 1 284 . 1 1 60 60 ALA CA C 13 55.290 0.000 . 1 . . . . . 142 ALA CA . 27275 1 285 . 1 1 60 60 ALA CB C 13 17.746 0.079 . 1 . . . . . 142 ALA CB . 27275 1 286 . 1 1 60 60 ALA N N 15 122.071 0.083 . 1 . . . . . 142 ALA N . 27275 1 287 . 1 1 61 61 GLY H H 1 7.398 0.004 . 1 . . . . . 143 GLY H . 27275 1 288 . 1 1 61 61 GLY C C 13 176.076 0.075 . 1 . . . . . 143 GLY C . 27275 1 289 . 1 1 61 61 GLY CA C 13 46.879 0.047 . 1 . . . . . 143 GLY CA . 27275 1 290 . 1 1 61 61 GLY N N 15 107.332 0.106 . 1 . . . . . 143 GLY N . 27275 1 291 . 1 1 62 62 ALA H H 1 7.560 0.005 . 1 . . . . . 144 ALA H . 27275 1 292 . 1 1 62 62 ALA C C 13 179.196 0.001 . 1 . . . . . 144 ALA C . 27275 1 293 . 1 1 62 62 ALA CA C 13 56.080 0.000 . 1 . . . . . 144 ALA CA . 27275 1 294 . 1 1 62 62 ALA CB C 13 18.786 0.002 . 1 . . . . . 144 ALA CB . 27275 1 295 . 1 1 62 62 ALA N N 15 124.377 0.058 . 1 . . . . . 144 ALA N . 27275 1 296 . 1 1 63 63 VAL H H 1 8.388 0.003 . 1 . . . . . 145 VAL H . 27275 1 297 . 1 1 63 63 VAL C C 13 175.100 0.000 . 1 . . . . . 145 VAL C . 27275 1 298 . 1 1 63 63 VAL CA C 13 66.884 0.000 . 1 . . . . . 145 VAL CA . 27275 1 299 . 1 1 63 63 VAL CB C 13 31.816 0.010 . 1 . . . . . 145 VAL CB . 27275 1 300 . 1 1 63 63 VAL N N 15 120.002 0.070 . 1 . . . . . 145 VAL N . 27275 1 301 . 1 1 64 64 GLN H H 1 7.467 0.002 . 1 . . . . . 146 GLN H . 27275 1 302 . 1 1 64 64 GLN CA C 13 59.066 0.000 . 1 . . . . . 146 GLN CA . 27275 1 303 . 1 1 64 64 GLN CB C 13 29.144 0.187 . 1 . . . . . 146 GLN CB . 27275 1 304 . 1 1 64 64 GLN N N 15 117.870 0.020 . 1 . . . . . 146 GLN N . 27275 1 305 . 1 1 65 65 ASP H H 1 7.973 0.004 . 1 . . . . . 147 ASP H . 27275 1 306 . 1 1 65 65 ASP C C 13 179.641 0.000 . 1 . . . . . 147 ASP C . 27275 1 307 . 1 1 65 65 ASP CA C 13 57.636 0.000 . 1 . . . . . 147 ASP CA . 27275 1 308 . 1 1 65 65 ASP CB C 13 40.642 0.060 . 1 . . . . . 147 ASP CB . 27275 1 309 . 1 1 65 65 ASP N N 15 122.006 0.038 . 1 . . . . . 147 ASP N . 27275 1 310 . 1 1 66 66 CYS H H 1 8.556 0.004 . 1 . . . . . 148 CYS H . 27275 1 311 . 1 1 66 66 CYS C C 13 176.513 0.005 . 1 . . . . . 148 CYS C . 27275 1 312 . 1 1 66 66 CYS CA C 13 65.833 0.000 . 1 . . . . . 148 CYS CA . 27275 1 313 . 1 1 66 66 CYS CB C 13 27.254 0.062 . 1 . . . . . 148 CYS CB . 27275 1 314 . 1 1 66 66 CYS N N 15 120.049 0.064 . 1 . . . . . 148 CYS N . 27275 1 315 . 1 1 67 67 GLU H H 1 8.428 0.002 . 1 . . . . . 149 GLU H . 27275 1 316 . 1 1 67 67 GLU C C 13 179.222 0.012 . 1 . . . . . 149 GLU C . 27275 1 317 . 1 1 67 67 GLU CA C 13 59.696 0.000 . 1 . . . . . 149 GLU CA . 27275 1 318 . 1 1 67 67 GLU CB C 13 29.320 0.035 . 1 . . . . . 149 GLU CB . 27275 1 319 . 1 1 67 67 GLU N N 15 120.670 0.005 . 1 . . . . . 149 GLU N . 27275 1 320 . 1 1 68 68 ARG H H 1 7.377 0.002 . 1 . . . . . 150 ARG H . 27275 1 321 . 1 1 68 68 ARG C C 13 178.281 0.038 . 1 . . . . . 150 ARG C . 27275 1 322 . 1 1 68 68 ARG CA C 13 58.398 0.000 . 1 . . . . . 150 ARG CA . 27275 1 323 . 1 1 68 68 ARG CB C 13 28.520 0.039 . 1 . . . . . 150 ARG CB . 27275 1 324 . 1 1 68 68 ARG N N 15 119.415 0.037 . 1 . . . . . 150 ARG N . 27275 1 325 . 1 1 69 69 ALA H H 1 8.034 0.006 . 1 . . . . . 151 ALA H . 27275 1 326 . 1 1 69 69 ALA C C 13 177.947 0.115 . 1 . . . . . 151 ALA C . 27275 1 327 . 1 1 69 69 ALA CA C 13 55.756 0.000 . 1 . . . . . 151 ALA CA . 27275 1 328 . 1 1 69 69 ALA CB C 13 19.017 0.060 . 1 . . . . . 151 ALA CB . 27275 1 329 . 1 1 69 69 ALA N N 15 121.078 0.041 . 1 . . . . . 151 ALA N . 27275 1 330 . 1 1 70 70 ILE H H 1 7.918 0.002 . 1 . . . . . 152 ILE H . 27275 1 331 . 1 1 70 70 ILE C C 13 177.239 0.004 . 1 . . . . . 152 ILE C . 27275 1 332 . 1 1 70 70 ILE CA C 13 64.469 0.000 . 1 . . . . . 152 ILE CA . 27275 1 333 . 1 1 70 70 ILE CB C 13 38.551 0.101 . 1 . . . . . 152 ILE CB . 27275 1 334 . 1 1 70 70 ILE N N 15 117.350 0.068 . 1 . . . . . 152 ILE N . 27275 1 335 . 1 1 71 71 CYS H H 1 7.416 0.001 . 1 . . . . . 153 CYS H . 27275 1 336 . 1 1 71 71 CYS C C 13 177.118 0.018 . 1 . . . . . 153 CYS C . 27275 1 337 . 1 1 71 71 CYS CA C 13 62.592 0.000 . 1 . . . . . 153 CYS CA . 27275 1 338 . 1 1 71 71 CYS CB C 13 26.578 0.061 . 1 . . . . . 153 CYS CB . 27275 1 339 . 1 1 71 71 CYS N N 15 117.421 0.025 . 1 . . . . . 153 CYS N . 27275 1 340 . 1 1 72 72 ILE H H 1 7.618 0.004 . 1 . . . . . 154 ILE H . 27275 1 341 . 1 1 72 72 ILE C C 13 176.705 0.006 . 1 . . . . . 154 ILE C . 27275 1 342 . 1 1 72 72 ILE CA C 13 64.539 0.000 . 1 . . . . . 154 ILE CA . 27275 1 343 . 1 1 72 72 ILE CB C 13 39.323 0.101 . 1 . . . . . 154 ILE CB . 27275 1 344 . 1 1 72 72 ILE N N 15 119.961 0.053 . 1 . . . . . 154 ILE N . 27275 1 345 . 1 1 73 73 ASP H H 1 8.446 0.004 . 1 . . . . . 155 ASP H . 27275 1 346 . 1 1 73 73 ASP C C 13 173.223 0.000 . 1 . . . . . 155 ASP C . 27275 1 347 . 1 1 73 73 ASP CA C 13 50.669 0.000 . 1 . . . . . 155 ASP CA . 27275 1 348 . 1 1 73 73 ASP CB C 13 42.067 0.000 . 1 . . . . . 155 ASP CB . 27275 1 349 . 1 1 73 73 ASP N N 15 116.683 0.054 . 1 . . . . . 155 ASP N . 27275 1 350 . 1 1 74 74 PRO C C 13 178.298 0.000 . 1 . . . . . 156 PRO C . 27275 1 351 . 1 1 74 74 PRO CA C 13 63.678 0.000 . 1 . . . . . 156 PRO CA . 27275 1 352 . 1 1 74 74 PRO CB C 13 32.838 0.000 . 1 . . . . . 156 PRO CB . 27275 1 353 . 1 1 75 75 ALA H H 1 8.307 0.005 . 1 . . . . . 157 ALA H . 27275 1 354 . 1 1 75 75 ALA C C 13 176.681 0.000 . 1 . . . . . 157 ALA C . 27275 1 355 . 1 1 75 75 ALA CA C 13 51.523 0.000 . 1 . . . . . 157 ALA CA . 27275 1 356 . 1 1 75 75 ALA CB C 13 18.774 0.000 . 1 . . . . . 157 ALA CB . 27275 1 357 . 1 1 75 75 ALA N N 15 123.829 0.059 . 1 . . . . . 157 ALA N . 27275 1 358 . 1 1 76 76 TYR H H 1 7.772 0.002 . 1 . . . . . 158 TYR H . 27275 1 359 . 1 1 76 76 TYR C C 13 176.300 0.091 . 1 . . . . . 158 TYR C . 27275 1 360 . 1 1 76 76 TYR CA C 13 56.308 0.052 . 1 . . . . . 158 TYR CA . 27275 1 361 . 1 1 76 76 TYR CB C 13 36.257 0.036 . 1 . . . . . 158 TYR CB . 27275 1 362 . 1 1 76 76 TYR N N 15 122.872 0.058 . 1 . . . . . 158 TYR N . 27275 1 363 . 1 1 77 77 SER H H 1 8.582 0.004 . 1 . . . . . 159 SER H . 27275 1 364 . 1 1 77 77 SER C C 13 176.031 0.006 . 1 . . . . . 159 SER C . 27275 1 365 . 1 1 77 77 SER CA C 13 62.507 0.000 . 1 . . . . . 159 SER CA . 27275 1 366 . 1 1 77 77 SER N N 15 126.390 0.025 . 1 . . . . . 159 SER N . 27275 1 367 . 1 1 78 78 LYS H H 1 7.469 0.003 . 1 . . . . . 160 LYS H . 27275 1 368 . 1 1 78 78 LYS C C 13 178.477 0.028 . 1 . . . . . 160 LYS C . 27275 1 369 . 1 1 78 78 LYS CA C 13 58.941 0.036 . 1 . . . . . 160 LYS CA . 27275 1 370 . 1 1 78 78 LYS CB C 13 32.896 0.051 . 1 . . . . . 160 LYS CB . 27275 1 371 . 1 1 78 78 LYS N N 15 120.060 0.052 . 1 . . . . . 160 LYS N . 27275 1 372 . 1 1 79 79 ALA H H 1 7.124 0.004 . 1 . . . . . 161 ALA H . 27275 1 373 . 1 1 79 79 ALA C C 13 179.047 0.024 . 1 . . . . . 161 ALA C . 27275 1 374 . 1 1 79 79 ALA CA C 13 55.330 0.137 . 1 . . . . . 161 ALA CA . 27275 1 375 . 1 1 79 79 ALA CB C 13 19.359 0.071 . 1 . . . . . 161 ALA CB . 27275 1 376 . 1 1 79 79 ALA N N 15 119.667 0.020 . 1 . . . . . 161 ALA N . 27275 1 377 . 1 1 80 80 TYR H H 1 7.133 0.004 . 1 . . . . . 162 TYR H . 27275 1 378 . 1 1 80 80 TYR C C 13 178.175 0.013 . 1 . . . . . 162 TYR C . 27275 1 379 . 1 1 80 80 TYR CA C 13 62.167 0.028 . 1 . . . . . 162 TYR CA . 27275 1 380 . 1 1 80 80 TYR CB C 13 37.389 0.058 . 1 . . . . . 162 TYR CB . 27275 1 381 . 1 1 80 80 TYR N N 15 116.643 0.083 . 1 . . . . . 162 TYR N . 27275 1 382 . 1 1 81 81 GLY H H 1 7.852 0.003 . 1 . . . . . 163 GLY H . 27275 1 383 . 1 1 81 81 GLY CA C 13 47.420 0.000 . 1 . . . . . 163 GLY CA . 27275 1 384 . 1 1 81 81 GLY N N 15 105.873 0.111 . 1 . . . . . 163 GLY N . 27275 1 385 . 1 1 82 82 ARG H H 1 8.264 0.003 . 1 . . . . . 164 ARG H . 27275 1 386 . 1 1 82 82 ARG C C 13 177.767 0.000 . 1 . . . . . 164 ARG C . 27275 1 387 . 1 1 82 82 ARG CA C 13 58.769 0.005 . 1 . . . . . 164 ARG CA . 27275 1 388 . 1 1 82 82 ARG CB C 13 28.250 0.010 . 1 . . . . . 164 ARG CB . 27275 1 389 . 1 1 82 82 ARG N N 15 121.912 0.115 . 1 . . . . . 164 ARG N . 27275 1 390 . 1 1 83 83 MET H H 1 7.872 0.004 . 1 . . . . . 165 MET H . 27275 1 391 . 1 1 83 83 MET C C 13 178.108 0.043 . 1 . . . . . 165 MET C . 27275 1 392 . 1 1 83 83 MET CA C 13 58.631 0.000 . 1 . . . . . 165 MET CA . 27275 1 393 . 1 1 83 83 MET CB C 13 32.411 0.001 . 1 . . . . . 165 MET CB . 27275 1 394 . 1 1 83 83 MET N N 15 123.031 0.064 . 1 . . . . . 165 MET N . 27275 1 395 . 1 1 84 84 GLY H H 1 7.859 0.004 . 1 . . . . . 166 GLY H . 27275 1 396 . 1 1 84 84 GLY C C 13 174.551 0.115 . 1 . . . . . 166 GLY C . 27275 1 397 . 1 1 84 84 GLY CA C 13 47.467 0.000 . 1 . . . . . 166 GLY CA . 27275 1 398 . 1 1 84 84 GLY N N 15 105.999 0.054 . 1 . . . . . 166 GLY N . 27275 1 399 . 1 1 85 85 LEU H H 1 7.538 0.002 . 1 . . . . . 167 LEU H . 27275 1 400 . 1 1 85 85 LEU C C 13 180.422 0.000 . 1 . . . . . 167 LEU C . 27275 1 401 . 1 1 85 85 LEU CA C 13 58.206 0.000 . 1 . . . . . 167 LEU CA . 27275 1 402 . 1 1 85 85 LEU CB C 13 42.736 0.000 . 1 . . . . . 167 LEU CB . 27275 1 403 . 1 1 85 85 LEU N N 15 123.097 0.022 . 1 . . . . . 167 LEU N . 27275 1 404 . 1 1 86 86 ALA H H 1 8.154 0.002 . 1 . . . . . 168 ALA H . 27275 1 405 . 1 1 86 86 ALA C C 13 179.008 0.047 . 1 . . . . . 168 ALA C . 27275 1 406 . 1 1 86 86 ALA CA C 13 55.757 0.000 . 1 . . . . . 168 ALA CA . 27275 1 407 . 1 1 86 86 ALA CB C 13 18.259 0.004 . 1 . . . . . 168 ALA CB . 27275 1 408 . 1 1 86 86 ALA N N 15 124.725 0.056 . 1 . . . . . 168 ALA N . 27275 1 409 . 1 1 87 87 LEU H H 1 8.485 0.002 . 1 . . . . . 169 LEU H . 27275 1 410 . 1 1 87 87 LEU C C 13 180.561 0.013 . 1 . . . . . 169 LEU C . 27275 1 411 . 1 1 87 87 LEU CA C 13 57.831 0.000 . 1 . . . . . 169 LEU CA . 27275 1 412 . 1 1 87 87 LEU CB C 13 41.012 0.021 . 1 . . . . . 169 LEU CB . 27275 1 413 . 1 1 87 87 LEU N N 15 117.574 0.053 . 1 . . . . . 169 LEU N . 27275 1 414 . 1 1 88 88 SER H H 1 8.706 0.003 . 1 . . . . . 170 SER H . 27275 1 415 . 1 1 88 88 SER C C 13 178.450 0.000 . 1 . . . . . 170 SER C . 27275 1 416 . 1 1 88 88 SER CA C 13 63.335 0.000 . 1 . . . . . 170 SER CA . 27275 1 417 . 1 1 88 88 SER CB C 13 62.589 0.000 . 1 . . . . . 170 SER CB . 27275 1 418 . 1 1 88 88 SER N N 15 118.490 0.105 . 1 . . . . . 170 SER N . 27275 1 419 . 1 1 89 89 SER H H 1 7.731 0.001 . 1 . . . . . 171 SER H . 27275 1 420 . 1 1 89 89 SER C C 13 174.521 0.000 . 1 . . . . . 171 SER C . 27275 1 421 . 1 1 89 89 SER CA C 13 62.436 0.000 . 1 . . . . . 171 SER CA . 27275 1 422 . 1 1 89 89 SER CB C 13 62.801 0.000 . 1 . . . . . 171 SER CB . 27275 1 423 . 1 1 89 89 SER N N 15 120.756 0.003 . 1 . . . . . 171 SER N . 27275 1 424 . 1 1 90 90 LEU H H 1 7.072 0.006 . 1 . . . . . 172 LEU H . 27275 1 425 . 1 1 90 90 LEU C C 13 175.428 0.016 . 1 . . . . . 172 LEU C . 27275 1 426 . 1 1 90 90 LEU CA C 13 54.593 0.000 . 1 . . . . . 172 LEU CA . 27275 1 427 . 1 1 90 90 LEU CB C 13 42.847 0.045 . 1 . . . . . 172 LEU CB . 27275 1 428 . 1 1 90 90 LEU N N 15 121.231 0.095 . 1 . . . . . 172 LEU N . 27275 1 429 . 1 1 91 91 ASN H H 1 7.837 0.001 . 1 . . . . . 173 ASN H . 27275 1 430 . 1 1 91 91 ASN C C 13 174.421 0.016 . 1 . . . . . 173 ASN C . 27275 1 431 . 1 1 91 91 ASN CA C 13 54.499 0.000 . 1 . . . . . 173 ASN CA . 27275 1 432 . 1 1 91 91 ASN CB C 13 36.612 0.071 . 1 . . . . . 173 ASN CB . 27275 1 433 . 1 1 91 91 ASN N N 15 114.394 0.057 . 1 . . . . . 173 ASN N . 27275 1 434 . 1 1 92 92 LYS H H 1 7.944 0.002 . 1 . . . . . 174 LYS H . 27275 1 435 . 1 1 92 92 LYS C C 13 176.414 0.029 . 1 . . . . . 174 LYS C . 27275 1 436 . 1 1 92 92 LYS CA C 13 54.082 0.000 . 1 . . . . . 174 LYS CA . 27275 1 437 . 1 1 92 92 LYS CB C 13 29.932 0.027 . 1 . . . . . 174 LYS CB . 27275 1 438 . 1 1 92 92 LYS N N 15 122.239 0.045 . 1 . . . . . 174 LYS N . 27275 1 439 . 1 1 93 93 HIS H H 1 6.884 0.003 . 1 . . . . . 175 HIS H . 27275 1 440 . 1 1 93 93 HIS C C 13 177.871 0.018 . 1 . . . . . 175 HIS C . 27275 1 441 . 1 1 93 93 HIS CA C 13 60.498 0.030 . 1 . . . . . 175 HIS CA . 27275 1 442 . 1 1 93 93 HIS CB C 13 31.151 0.063 . 1 . . . . . 175 HIS CB . 27275 1 443 . 1 1 93 93 HIS N N 15 118.734 0.037 . 1 . . . . . 175 HIS N . 27275 1 444 . 1 1 94 94 VAL H H 1 8.364 0.006 . 1 . . . . . 176 VAL H . 27275 1 445 . 1 1 94 94 VAL C C 13 178.812 0.028 . 1 . . . . . 176 VAL C . 27275 1 446 . 1 1 94 94 VAL CA C 13 66.646 0.000 . 1 . . . . . 176 VAL CA . 27275 1 447 . 1 1 94 94 VAL CB C 13 31.674 0.016 . 1 . . . . . 176 VAL CB . 27275 1 448 . 1 1 94 94 VAL N N 15 119.805 0.035 . 1 . . . . . 176 VAL N . 27275 1 449 . 1 1 95 95 GLU H H 1 8.840 0.001 . 1 . . . . . 177 GLU H . 27275 1 450 . 1 1 95 95 GLU C C 13 178.635 0.000 . 1 . . . . . 177 GLU C . 27275 1 451 . 1 1 95 95 GLU CA C 13 60.123 0.000 . 1 . . . . . 177 GLU CA . 27275 1 452 . 1 1 95 95 GLU CB C 13 29.466 0.013 . 1 . . . . . 177 GLU CB . 27275 1 453 . 1 1 95 95 GLU N N 15 122.020 0.062 . 1 . . . . . 177 GLU N . 27275 1 454 . 1 1 96 96 ALA H H 1 8.343 0.004 . 1 . . . . . 178 ALA H . 27275 1 455 . 1 1 96 96 ALA C C 13 179.263 0.022 . 1 . . . . . 178 ALA C . 27275 1 456 . 1 1 96 96 ALA CA C 13 55.963 0.000 . 1 . . . . . 178 ALA CA . 27275 1 457 . 1 1 96 96 ALA CB C 13 19.285 0.022 . 1 . . . . . 178 ALA CB . 27275 1 458 . 1 1 96 96 ALA N N 15 121.259 0.044 . 1 . . . . . 178 ALA N . 27275 1 459 . 1 1 97 97 VAL H H 1 7.910 0.007 . 1 . . . . . 179 VAL H . 27275 1 460 . 1 1 97 97 VAL C C 13 177.018 0.006 . 1 . . . . . 179 VAL C . 27275 1 461 . 1 1 97 97 VAL CA C 13 68.133 0.019 . 1 . . . . . 179 VAL CA . 27275 1 462 . 1 1 97 97 VAL CB C 13 31.863 0.013 . 1 . . . . . 179 VAL CB . 27275 1 463 . 1 1 97 97 VAL N N 15 115.864 0.025 . 1 . . . . . 179 VAL N . 27275 1 464 . 1 1 98 98 ALA H H 1 7.306 0.002 . 1 . . . . . 180 ALA H . 27275 1 465 . 1 1 98 98 ALA C C 13 181.182 0.019 . 1 . . . . . 180 ALA C . 27275 1 466 . 1 1 98 98 ALA CA C 13 55.327 0.000 . 1 . . . . . 180 ALA CA . 27275 1 467 . 1 1 98 98 ALA CB C 13 18.008 0.128 . 1 . . . . . 180 ALA CB . 27275 1 468 . 1 1 98 98 ALA N N 15 120.245 0.020 . 1 . . . . . 180 ALA N . 27275 1 469 . 1 1 99 99 TYR H H 1 7.665 0.003 . 1 . . . . . 181 TYR H . 27275 1 470 . 1 1 99 99 TYR C C 13 178.377 0.003 . 1 . . . . . 181 TYR C . 27275 1 471 . 1 1 99 99 TYR CA C 13 64.386 0.001 . 1 . . . . . 181 TYR CA . 27275 1 472 . 1 1 99 99 TYR CB C 13 37.149 0.044 . 1 . . . . . 181 TYR CB . 27275 1 473 . 1 1 99 99 TYR N N 15 117.741 0.040 . 1 . . . . . 181 TYR N . 27275 1 474 . 1 1 100 100 TYR H H 1 8.636 0.007 . 1 . . . . . 182 TYR H . 27275 1 475 . 1 1 100 100 TYR C C 13 178.963 0.015 . 1 . . . . . 182 TYR C . 27275 1 476 . 1 1 100 100 TYR CA C 13 61.140 0.000 . 1 . . . . . 182 TYR CA . 27275 1 477 . 1 1 100 100 TYR CB C 13 38.993 0.008 . 1 . . . . . 182 TYR CB . 27275 1 478 . 1 1 100 100 TYR N N 15 119.430 0.057 . 1 . . . . . 182 TYR N . 27275 1 479 . 1 1 101 101 LYS H H 1 8.616 0.005 . 1 . . . . . 183 LYS H . 27275 1 480 . 1 1 101 101 LYS C C 13 179.406 0.046 . 1 . . . . . 183 LYS C . 27275 1 481 . 1 1 101 101 LYS CA C 13 60.574 0.026 . 1 . . . . . 183 LYS CA . 27275 1 482 . 1 1 101 101 LYS CB C 13 32.287 0.003 . 1 . . . . . 183 LYS CB . 27275 1 483 . 1 1 101 101 LYS N N 15 118.408 0.041 . 1 . . . . . 183 LYS N . 27275 1 484 . 1 1 102 102 LYS H H 1 7.408 0.003 . 1 . . . . . 184 LYS H . 27275 1 485 . 1 1 102 102 LYS C C 13 178.064 0.006 . 1 . . . . . 184 LYS C . 27275 1 486 . 1 1 102 102 LYS CA C 13 57.757 0.108 . 1 . . . . . 184 LYS CA . 27275 1 487 . 1 1 102 102 LYS CB C 13 30.774 0.156 . 1 . . . . . 184 LYS CB . 27275 1 488 . 1 1 102 102 LYS N N 15 121.124 0.084 . 1 . . . . . 184 LYS N . 27275 1 489 . 1 1 103 103 ALA H H 1 8.109 0.006 . 1 . . . . . 185 ALA H . 27275 1 490 . 1 1 103 103 ALA C C 13 179.187 0.110 . 1 . . . . . 185 ALA C . 27275 1 491 . 1 1 103 103 ALA CA C 13 55.895 0.000 . 1 . . . . . 185 ALA CA . 27275 1 492 . 1 1 103 103 ALA CB C 13 17.168 0.000 . 1 . . . . . 185 ALA CB . 27275 1 493 . 1 1 103 103 ALA N N 15 121.694 0.052 . 1 . . . . . 185 ALA N . 27275 1 494 . 1 1 104 104 LEU H H 1 7.770 0.004 . 1 . . . . . 186 LEU H . 27275 1 495 . 1 1 104 104 LEU C C 13 178.835 0.007 . 1 . . . . . 186 LEU C . 27275 1 496 . 1 1 104 104 LEU CA C 13 56.484 0.000 . 1 . . . . . 186 LEU CA . 27275 1 497 . 1 1 104 104 LEU CB C 13 42.883 0.038 . 1 . . . . . 186 LEU CB . 27275 1 498 . 1 1 104 104 LEU N N 15 116.487 0.059 . 1 . . . . . 186 LEU N . 27275 1 499 . 1 1 105 105 GLU H H 1 7.780 0.005 . 1 . . . . . 187 GLU H . 27275 1 500 . 1 1 105 105 GLU C C 13 179.006 0.031 . 1 . . . . . 187 GLU C . 27275 1 501 . 1 1 105 105 GLU CA C 13 59.206 0.020 . 1 . . . . . 187 GLU CA . 27275 1 502 . 1 1 105 105 GLU CB C 13 29.897 0.155 . 1 . . . . . 187 GLU CB . 27275 1 503 . 1 1 105 105 GLU N N 15 120.438 0.106 . 1 . . . . . 187 GLU N . 27275 1 504 . 1 1 106 106 LEU H H 1 7.202 0.006 . 1 . . . . . 188 LEU H . 27275 1 505 . 1 1 106 106 LEU C C 13 177.116 0.017 . 1 . . . . . 188 LEU C . 27275 1 506 . 1 1 106 106 LEU CA C 13 55.791 0.007 . 1 . . . . . 188 LEU CA . 27275 1 507 . 1 1 106 106 LEU CB C 13 43.997 0.098 . 1 . . . . . 188 LEU CB . 27275 1 508 . 1 1 106 106 LEU N N 15 117.044 0.081 . 1 . . . . . 188 LEU N . 27275 1 509 . 1 1 107 107 ASP H H 1 8.199 0.002 . 1 . . . . . 189 ASP H . 27275 1 510 . 1 1 107 107 ASP C C 13 176.142 0.000 . 1 . . . . . 189 ASP C . 27275 1 511 . 1 1 107 107 ASP CA C 13 51.698 0.000 . 1 . . . . . 189 ASP CA . 27275 1 512 . 1 1 107 107 ASP CB C 13 40.941 0.000 . 1 . . . . . 189 ASP CB . 27275 1 513 . 1 1 107 107 ASP N N 15 121.162 0.038 . 1 . . . . . 189 ASP N . 27275 1 514 . 1 1 108 108 PRO C C 13 179.321 0.000 . 1 . . . . . 190 PRO C . 27275 1 515 . 1 1 108 108 PRO CA C 13 64.895 0.000 . 1 . . . . . 190 PRO CA . 27275 1 516 . 1 1 108 108 PRO CB C 13 32.840 0.000 . 1 . . . . . 190 PRO CB . 27275 1 517 . 1 1 109 109 ASP H H 1 8.309 0.003 . 1 . . . . . 191 ASP H . 27275 1 518 . 1 1 109 109 ASP C C 13 175.829 0.000 . 1 . . . . . 191 ASP C . 27275 1 519 . 1 1 109 109 ASP CA C 13 53.667 0.000 . 1 . . . . . 191 ASP CA . 27275 1 520 . 1 1 109 109 ASP CB C 13 40.803 0.000 . 1 . . . . . 191 ASP CB . 27275 1 521 . 1 1 109 109 ASP N N 15 116.235 0.137 . 1 . . . . . 191 ASP N . 27275 1 522 . 1 1 110 110 ASN H H 1 7.254 0.002 . 1 . . . . . 192 ASN H . 27275 1 523 . 1 1 110 110 ASN C C 13 175.700 0.028 . 1 . . . . . 192 ASN C . 27275 1 524 . 1 1 110 110 ASN CA C 13 54.398 0.045 . 1 . . . . . 192 ASN CA . 27275 1 525 . 1 1 110 110 ASN CB C 13 38.883 0.028 . 1 . . . . . 192 ASN CB . 27275 1 526 . 1 1 110 110 ASN N N 15 120.137 0.021 . 1 . . . . . 192 ASN N . 27275 1 527 . 1 1 111 111 GLU H H 1 8.842 0.003 . 1 . . . . . 193 GLU H . 27275 1 528 . 1 1 111 111 GLU C C 13 179.007 0.047 . 1 . . . . . 193 GLU C . 27275 1 529 . 1 1 111 111 GLU CA C 13 59.152 0.084 . 1 . . . . . 193 GLU CA . 27275 1 530 . 1 1 111 111 GLU CB C 13 29.599 0.081 . 1 . . . . . 193 GLU CB . 27275 1 531 . 1 1 111 111 GLU N N 15 129.090 0.075 . 1 . . . . . 193 GLU N . 27275 1 532 . 1 1 112 112 THR H H 1 8.044 0.003 . 1 . . . . . 194 THR H . 27275 1 533 . 1 1 112 112 THR C C 13 176.785 0.000 . 1 . . . . . 194 THR C . 27275 1 534 . 1 1 112 112 THR CA C 13 66.562 0.000 . 1 . . . . . 194 THR CA . 27275 1 535 . 1 1 112 112 THR CB C 13 68.040 0.002 . 1 . . . . . 194 THR CB . 27275 1 536 . 1 1 112 112 THR N N 15 118.912 0.033 . 1 . . . . . 194 THR N . 27275 1 537 . 1 1 113 113 TYR H H 1 7.662 0.002 . 1 . . . . . 195 TYR H . 27275 1 538 . 1 1 113 113 TYR C C 13 178.401 0.020 . 1 . . . . . 195 TYR C . 27275 1 539 . 1 1 113 113 TYR CA C 13 57.607 0.000 . 1 . . . . . 195 TYR CA . 27275 1 540 . 1 1 113 113 TYR CB C 13 35.574 0.155 . 1 . . . . . 195 TYR CB . 27275 1 541 . 1 1 113 113 TYR N N 15 121.944 0.037 . 1 . . . . . 195 TYR N . 27275 1 542 . 1 1 114 114 LYS H H 1 7.901 0.002 . 1 . . . . . 196 LYS H . 27275 1 543 . 1 1 114 114 LYS C C 13 179.390 0.056 . 1 . . . . . 196 LYS C . 27275 1 544 . 1 1 114 114 LYS CA C 13 60.687 0.029 . 1 . . . . . 196 LYS CA . 27275 1 545 . 1 1 114 114 LYS CB C 13 32.877 0.048 . 1 . . . . . 196 LYS CB . 27275 1 546 . 1 1 114 114 LYS N N 15 119.329 0.026 . 1 . . . . . 196 LYS N . 27275 1 547 . 1 1 115 115 SER H H 1 8.178 0.003 . 1 . . . . . 197 SER H . 27275 1 548 . 1 1 115 115 SER CA C 13 61.584 0.000 . 1 . . . . . 197 SER CA . 27275 1 549 . 1 1 115 115 SER CB C 13 62.858 0.000 . 1 . . . . . 197 SER CB . 27275 1 550 . 1 1 115 115 SER N N 15 115.778 0.047 . 1 . . . . . 197 SER N . 27275 1 551 . 1 1 116 116 ASN H H 1 8.255 0.003 . 1 . . . . . 198 ASN H . 27275 1 552 . 1 1 116 116 ASN C C 13 177.755 0.000 . 1 . . . . . 198 ASN C . 27275 1 553 . 1 1 116 116 ASN CA C 13 55.803 0.000 . 1 . . . . . 198 ASN CA . 27275 1 554 . 1 1 116 116 ASN CB C 13 37.595 0.016 . 1 . . . . . 198 ASN CB . 27275 1 555 . 1 1 116 116 ASN N N 15 120.684 0.006 . 1 . . . . . 198 ASN N . 27275 1 556 . 1 1 117 117 LEU H H 1 8.002 0.003 . 1 . . . . . 199 LEU H . 27275 1 557 . 1 1 117 117 LEU C C 13 176.952 0.062 . 1 . . . . . 199 LEU C . 27275 1 558 . 1 1 117 117 LEU CA C 13 58.703 0.000 . 1 . . . . . 199 LEU CA . 27275 1 559 . 1 1 117 117 LEU CB C 13 41.246 0.016 . 1 . . . . . 199 LEU CB . 27275 1 560 . 1 1 117 117 LEU N N 15 122.957 0.021 . 1 . . . . . 199 LEU N . 27275 1 561 . 1 1 118 118 LYS H H 1 7.413 0.001 . 1 . . . . . 200 LYS H . 27275 1 562 . 1 1 118 118 LYS C C 13 179.498 0.000 . 1 . . . . . 200 LYS C . 27275 1 563 . 1 1 118 118 LYS CA C 13 59.349 0.023 . 1 . . . . . 200 LYS CA . 27275 1 564 . 1 1 118 118 LYS CB C 13 31.763 0.076 . 1 . . . . . 200 LYS CB . 27275 1 565 . 1 1 118 118 LYS N N 15 118.939 0.015 . 1 . . . . . 200 LYS N . 27275 1 566 . 1 1 119 119 ILE H H 1 7.589 0.003 . 1 . . . . . 201 ILE H . 27275 1 567 . 1 1 119 119 ILE C C 13 178.003 0.041 . 1 . . . . . 201 ILE C . 27275 1 568 . 1 1 119 119 ILE CA C 13 65.193 0.024 . 1 . . . . . 201 ILE CA . 27275 1 569 . 1 1 119 119 ILE CB C 13 38.307 0.032 . 1 . . . . . 201 ILE CB . 27275 1 570 . 1 1 119 119 ILE N N 15 118.975 0.039 . 1 . . . . . 201 ILE N . 27275 1 571 . 1 1 120 120 ALA H H 1 7.776 0.007 . 1 . . . . . 202 ALA H . 27275 1 572 . 1 1 120 120 ALA C C 13 179.924 0.003 . 1 . . . . . 202 ALA C . 27275 1 573 . 1 1 120 120 ALA CA C 13 55.386 0.000 . 1 . . . . . 202 ALA CA . 27275 1 574 . 1 1 120 120 ALA CB C 13 18.885 0.016 . 1 . . . . . 202 ALA CB . 27275 1 575 . 1 1 120 120 ALA N N 15 123.663 0.090 . 1 . . . . . 202 ALA N . 27275 1 576 . 1 1 121 121 GLU H H 1 8.658 0.003 . 1 . . . . . 203 GLU H . 27275 1 577 . 1 1 121 121 GLU C C 13 180.144 0.056 . 1 . . . . . 203 GLU C . 27275 1 578 . 1 1 121 121 GLU CA C 13 60.072 0.000 . 1 . . . . . 203 GLU CA . 27275 1 579 . 1 1 121 121 GLU CB C 13 29.894 0.034 . 1 . . . . . 203 GLU CB . 27275 1 580 . 1 1 121 121 GLU N N 15 117.097 0.039 . 1 . . . . . 203 GLU N . 27275 1 581 . 1 1 122 122 LEU H H 1 7.823 0.003 . 1 . . . . . 204 LEU H . 27275 1 582 . 1 1 122 122 LEU C C 13 180.008 0.080 . 1 . . . . . 204 LEU C . 27275 1 583 . 1 1 122 122 LEU CA C 13 58.027 0.099 . 1 . . . . . 204 LEU CA . 27275 1 584 . 1 1 122 122 LEU CB C 13 41.709 0.086 . 1 . . . . . 204 LEU CB . 27275 1 585 . 1 1 122 122 LEU N N 15 121.110 0.076 . 1 . . . . . 204 LEU N . 27275 1 586 . 1 1 123 123 LYS H H 1 7.828 0.003 . 1 . . . . . 205 LYS H . 27275 1 587 . 1 1 123 123 LYS C C 13 179.177 0.071 . 1 . . . . . 205 LYS C . 27275 1 588 . 1 1 123 123 LYS CA C 13 57.639 0.000 . 1 . . . . . 205 LYS CA . 27275 1 589 . 1 1 123 123 LYS CB C 13 31.220 0.061 . 1 . . . . . 205 LYS CB . 27275 1 590 . 1 1 123 123 LYS N N 15 119.825 0.046 . 1 . . . . . 205 LYS N . 27275 1 591 . 1 1 124 124 LEU H H 1 7.582 0.003 . 1 . . . . . 206 LEU H . 27275 1 592 . 1 1 124 124 LEU C C 13 178.235 0.031 . 1 . . . . . 206 LEU C . 27275 1 593 . 1 1 124 124 LEU CA C 13 56.793 0.000 . 1 . . . . . 206 LEU CA . 27275 1 594 . 1 1 124 124 LEU CB C 13 41.946 0.055 . 1 . . . . . 206 LEU CB . 27275 1 595 . 1 1 124 124 LEU N N 15 118.632 0.069 . 1 . . . . . 206 LEU N . 27275 1 596 . 1 1 125 125 ARG H H 1 7.551 0.001 . 1 . . . . . 207 ARG H . 27275 1 597 . 1 1 125 125 ARG C C 13 176.939 0.100 . 1 . . . . . 207 ARG C . 27275 1 598 . 1 1 125 125 ARG CA C 13 56.981 0.000 . 1 . . . . . 207 ARG CA . 27275 1 599 . 1 1 125 125 ARG CB C 13 30.604 0.035 . 1 . . . . . 207 ARG CB . 27275 1 600 . 1 1 125 125 ARG N N 15 118.402 0.020 . 1 . . . . . 207 ARG N . 27275 1 601 . 1 1 126 126 GLU H H 1 7.712 0.002 . 1 . . . . . 208 GLU H . 27275 1 602 . 1 1 126 126 GLU C C 13 175.992 0.008 . 1 . . . . . 208 GLU C . 27275 1 603 . 1 1 126 126 GLU CA C 13 56.516 0.000 . 1 . . . . . 208 GLU CA . 27275 1 604 . 1 1 126 126 GLU CB C 13 30.224 0.108 . 1 . . . . . 208 GLU CB . 27275 1 605 . 1 1 126 126 GLU N N 15 119.527 0.049 . 1 . . . . . 208 GLU N . 27275 1 606 . 1 1 127 127 ALA H H 1 8.010 0.002 . 1 . . . . . 209 ALA H . 27275 1 607 . 1 1 127 127 ALA C C 13 175.281 0.000 . 1 . . . . . 209 ALA C . 27275 1 608 . 1 1 127 127 ALA CA C 13 50.795 0.000 . 1 . . . . . 209 ALA CA . 27275 1 609 . 1 1 127 127 ALA CB C 13 18.227 0.000 . 1 . . . . . 209 ALA CB . 27275 1 610 . 1 1 127 127 ALA N N 15 126.357 0.012 . 1 . . . . . 209 ALA N . 27275 1 611 . 1 1 128 128 PRO C C 13 176.950 0.013 . 1 . . . . . 210 PRO C . 27275 1 612 . 1 1 128 128 PRO CA C 13 63.010 0.000 . 1 . . . . . 210 PRO CA . 27275 1 613 . 1 1 128 128 PRO CB C 13 32.061 0.032 . 1 . . . . . 210 PRO CB . 27275 1 614 . 1 1 129 129 SER H H 1 8.448 0.002 . 1 . . . . . 211 SER H . 27275 1 615 . 1 1 129 129 SER C C 13 173.478 0.000 . 1 . . . . . 211 SER C . 27275 1 616 . 1 1 129 129 SER CA C 13 56.450 0.000 . 1 . . . . . 211 SER CA . 27275 1 617 . 1 1 129 129 SER CB C 13 63.654 0.000 . 1 . . . . . 211 SER CB . 27275 1 618 . 1 1 129 129 SER N N 15 118.021 0.022 . 1 . . . . . 211 SER N . 27275 1 619 . 1 1 130 130 PRO C C 13 177.497 0.035 . 1 . . . . . 212 PRO C . 27275 1 620 . 1 1 130 130 PRO CA C 13 63.630 0.041 . 1 . . . . . 212 PRO CA . 27275 1 621 . 1 1 130 130 PRO CB C 13 32.108 0.003 . 1 . . . . . 212 PRO CB . 27275 1 622 . 1 1 131 131 THR H H 1 8.209 0.003 . 1 . . . . . 213 THR H . 27275 1 623 . 1 1 131 131 THR C C 13 175.365 0.002 . 1 . . . . . 213 THR C . 27275 1 624 . 1 1 131 131 THR CA C 13 62.140 0.022 . 1 . . . . . 213 THR CA . 27275 1 625 . 1 1 131 131 THR CB C 13 69.892 0.008 . 1 . . . . . 213 THR CB . 27275 1 626 . 1 1 131 131 THR N N 15 113.703 0.019 . 1 . . . . . 213 THR N . 27275 1 627 . 1 1 132 132 GLY H H 1 8.333 0.004 . 1 . . . . . 214 GLY H . 27275 1 628 . 1 1 132 132 GLY C C 13 174.639 0.018 . 1 . . . . . 214 GLY C . 27275 1 629 . 1 1 132 132 GLY CA C 13 45.670 0.037 . 1 . . . . . 214 GLY CA . 27275 1 630 . 1 1 132 132 GLY N N 15 111.617 0.016 . 1 . . . . . 214 GLY N . 27275 1 631 . 1 1 133 133 GLY H H 1 8.270 0.002 . 1 . . . . . 215 GLY H . 27275 1 632 . 1 1 133 133 GLY C C 13 174.298 0.000 . 1 . . . . . 215 GLY C . 27275 1 633 . 1 1 133 133 GLY CA C 13 45.574 0.000 . 1 . . . . . 215 GLY CA . 27275 1 634 . 1 1 133 133 GLY N N 15 109.225 0.022 . 1 . . . . . 215 GLY N . 27275 1 635 . 1 1 134 134 VAL H H 1 8.149 0.002 . 1 . . . . . 216 VAL H . 27275 1 636 . 1 1 134 134 VAL C C 13 176.841 0.017 . 1 . . . . . 216 VAL C . 27275 1 637 . 1 1 134 134 VAL CA C 13 62.809 0.000 . 1 . . . . . 216 VAL CA . 27275 1 638 . 1 1 134 134 VAL CB C 13 32.541 0.001 . 1 . . . . . 216 VAL CB . 27275 1 639 . 1 1 134 134 VAL N N 15 119.746 0.009 . 1 . . . . . 216 VAL N . 27275 1 640 . 1 1 135 135 GLY H H 1 8.561 0.002 . 1 . . . . . 217 GLY H . 27275 1 641 . 1 1 135 135 GLY C C 13 174.030 0.013 . 1 . . . . . 217 GLY C . 27275 1 642 . 1 1 135 135 GLY CA C 13 45.325 0.000 . 1 . . . . . 217 GLY CA . 27275 1 643 . 1 1 135 135 GLY N N 15 113.153 0.044 . 1 . . . . . 217 GLY N . 27275 1 644 . 1 1 136 136 SER H H 1 8.093 0.004 . 1 . . . . . 218 SER H . 27275 1 645 . 1 1 136 136 SER C C 13 174.056 0.000 . 1 . . . . . 218 SER C . 27275 1 646 . 1 1 136 136 SER CA C 13 58.354 0.000 . 1 . . . . . 218 SER CA . 27275 1 647 . 1 1 136 136 SER CB C 13 64.104 0.000 . 1 . . . . . 218 SER CB . 27275 1 648 . 1 1 136 136 SER N N 15 115.989 0.008 . 1 . . . . . 218 SER N . 27275 1 649 . 1 1 140 140 ALA C C 13 179.044 0.000 . 1 . . . . . 222 ALA C . 27275 1 650 . 1 1 140 140 ALA CA C 13 53.938 0.000 . 1 . . . . . 222 ALA CA . 27275 1 651 . 1 1 140 140 ALA CB C 13 18.479 0.000 . 1 . . . . . 222 ALA CB . 27275 1 652 . 1 1 141 141 GLY H H 1 8.128 0.012 . 1 . . . . . 223 GLY H . 27275 1 653 . 1 1 141 141 GLY C C 13 174.971 0.000 . 1 . . . . . 223 GLY C . 27275 1 654 . 1 1 141 141 GLY CA C 13 45.986 0.000 . 1 . . . . . 223 GLY CA . 27275 1 655 . 1 1 141 141 GLY N N 15 107.145 0.155 . 1 . . . . . 223 GLY N . 27275 1 656 . 1 1 147 147 GLY H H 1 8.468 0.000 . 1 . . . . . 229 GLY H . 27275 1 657 . 1 1 147 147 GLY N N 15 108.499 0.000 . 1 . . . . . 229 GLY N . 27275 1 658 . 1 1 152 152 ALA C C 13 176.881 0.003 . 1 . . . . . 234 ALA C . 27275 1 659 . 1 1 152 152 ALA CA C 13 52.551 0.000 . 1 . . . . . 234 ALA CA . 27275 1 660 . 1 1 152 152 ALA CB C 13 19.323 0.000 . 1 . . . . . 234 ALA CB . 27275 1 661 . 1 1 153 153 SER H H 1 7.868 0.001 . 1 . . . . . 235 SER H . 27275 1 662 . 1 1 153 153 SER CA C 13 59.993 0.000 . 1 . . . . . 235 SER CA . 27275 1 663 . 1 1 153 153 SER CB C 13 65.139 0.000 . 1 . . . . . 235 SER CB . 27275 1 664 . 1 1 153 153 SER N N 15 121.642 0.039 . 1 . . . . . 235 SER N . 27275 1 665 . 1 1 167 167 GLY H H 1 8.144 0.000 . 1 . . . . . 249 GLY H . 27275 1 666 . 1 1 167 167 GLY N N 15 109.527 0.000 . 1 . . . . . 249 GLY N . 27275 1 667 . 1 1 171 171 GLY H H 1 8.347 0.000 . 1 . . . . . 253 GLY H . 27275 1 668 . 1 1 171 171 GLY C C 13 174.519 0.000 . 1 . . . . . 253 GLY C . 27275 1 669 . 1 1 171 171 GLY CA C 13 45.342 0.000 . 1 . . . . . 253 GLY CA . 27275 1 670 . 1 1 171 171 GLY N N 15 111.477 0.069 . 1 . . . . . 253 GLY N . 27275 1 671 . 1 1 172 172 GLY H H 1 8.266 0.002 . 1 . . . . . 254 GLY H . 27275 1 672 . 1 1 172 172 GLY C C 13 173.907 0.010 . 1 . . . . . 254 GLY C . 27275 1 673 . 1 1 172 172 GLY CA C 13 45.396 0.000 . 1 . . . . . 254 GLY CA . 27275 1 674 . 1 1 172 172 GLY N N 15 109.157 0.057 . 1 . . . . . 254 GLY N . 27275 1 675 . 1 1 173 173 ASN H H 1 8.317 0.008 . 1 . . . . . 255 ASN H . 27275 1 676 . 1 1 173 173 ASN C C 13 174.547 0.003 . 1 . . . . . 255 ASN C . 27275 1 677 . 1 1 173 173 ASN CA C 13 53.105 0.000 . 1 . . . . . 255 ASN CA . 27275 1 678 . 1 1 173 173 ASN CB C 13 39.078 0.011 . 1 . . . . . 255 ASN CB . 27275 1 679 . 1 1 173 173 ASN N N 15 118.881 0.097 . 1 . . . . . 255 ASN N . 27275 1 680 . 1 1 174 174 ASN H H 1 8.407 0.002 . 1 . . . . . 256 ASN H . 27275 1 681 . 1 1 174 174 ASN C C 13 173.652 0.000 . 1 . . . . . 256 ASN C . 27275 1 682 . 1 1 174 174 ASN CA C 13 51.468 0.000 . 1 . . . . . 256 ASN CA . 27275 1 683 . 1 1 174 174 ASN CB C 13 39.068 0.000 . 1 . . . . . 256 ASN CB . 27275 1 684 . 1 1 174 174 ASN N N 15 120.338 0.041 . 1 . . . . . 256 ASN N . 27275 1 685 . 1 1 175 175 PRO C C 13 177.157 0.000 . 1 . . . . . 257 PRO C . 27275 1 686 . 1 1 175 175 PRO CA C 13 63.767 0.000 . 1 . . . . . 257 PRO CA . 27275 1 687 . 1 1 175 175 PRO CB C 13 31.982 0.000 . 1 . . . . . 257 PRO CB . 27275 1 688 . 1 1 176 176 LEU H H 1 8.268 0.002 . 1 . . . . . 258 LEU H . 27275 1 689 . 1 1 176 176 LEU C C 13 177.952 0.037 . 1 . . . . . 258 LEU C . 27275 1 690 . 1 1 176 176 LEU CA C 13 55.260 0.000 . 1 . . . . . 258 LEU CA . 27275 1 691 . 1 1 176 176 LEU CB C 13 42.110 0.016 . 1 . . . . . 258 LEU CB . 27275 1 692 . 1 1 176 176 LEU N N 15 121.145 0.060 . 1 . . . . . 258 LEU N . 27275 1 693 . 1 1 177 177 GLY H H 1 8.144 0.003 . 1 . . . . . 259 GLY H . 27275 1 694 . 1 1 177 177 GLY C C 13 173.864 0.023 . 1 . . . . . 259 GLY C . 27275 1 695 . 1 1 177 177 GLY CA C 13 45.267 0.000 . 1 . . . . . 259 GLY CA . 27275 1 696 . 1 1 177 177 GLY N N 15 109.366 0.017 . 1 . . . . . 259 GLY N . 27275 1 697 . 1 1 178 178 THR H H 1 8.060 0.002 . 1 . . . . . 260 THR H . 27275 1 698 . 1 1 178 178 THR C C 13 173.165 0.000 . 1 . . . . . 260 THR C . 27275 1 699 . 1 1 178 178 THR CA C 13 59.876 0.000 . 1 . . . . . 260 THR CA . 27275 1 700 . 1 1 178 178 THR CB C 13 69.881 0.000 . 1 . . . . . 260 THR CB . 27275 1 701 . 1 1 178 178 THR N N 15 116.637 0.064 . 1 . . . . . 260 THR N . 27275 1 702 . 1 1 179 179 PRO C C 13 177.592 0.031 . 1 . . . . . 261 PRO C . 27275 1 703 . 1 1 179 179 PRO CA C 13 63.746 0.000 . 1 . . . . . 261 PRO CA . 27275 1 704 . 1 1 179 179 PRO CB C 13 32.051 0.000 . 1 . . . . . 261 PRO CB . 27275 1 705 . 1 1 180 180 GLY H H 1 8.522 0.002 . 1 . . . . . 262 GLY H . 27275 1 706 . 1 1 180 180 GLY C C 13 174.372 0.009 . 1 . . . . . 262 GLY C . 27275 1 707 . 1 1 180 180 GLY CA C 13 45.342 0.000 . 1 . . . . . 262 GLY CA . 27275 1 708 . 1 1 180 180 GLY N N 15 109.967 0.019 . 1 . . . . . 262 GLY N . 27275 1 709 . 1 1 181 181 THR H H 1 8.006 0.002 . 1 . . . . . 263 THR H . 27275 1 710 . 1 1 181 181 THR C C 13 174.523 0.012 . 1 . . . . . 263 THR C . 27275 1 711 . 1 1 181 181 THR CA C 13 61.663 0.000 . 1 . . . . . 263 THR CA . 27275 1 712 . 1 1 181 181 THR CB C 13 70.301 0.009 . 1 . . . . . 263 THR CB . 27275 1 713 . 1 1 181 181 THR N N 15 113.735 0.010 . 1 . . . . . 263 THR N . 27275 1 714 . 1 1 182 182 SER H H 1 8.430 0.004 . 1 . . . . . 264 SER H . 27275 1 715 . 1 1 182 182 SER C C 13 172.838 0.000 . 1 . . . . . 264 SER C . 27275 1 716 . 1 1 182 182 SER CA C 13 56.542 0.000 . 1 . . . . . 264 SER CA . 27275 1 717 . 1 1 182 182 SER CB C 13 63.611 0.000 . 1 . . . . . 264 SER CB . 27275 1 718 . 1 1 182 182 SER N N 15 120.295 0.027 . 1 . . . . . 264 SER N . 27275 1 719 . 1 1 183 183 PRO C C 13 177.100 0.000 . 1 . . . . . 265 PRO C . 27275 1 720 . 1 1 183 183 PRO CA C 13 63.546 0.000 . 1 . . . . . 265 PRO CA . 27275 1 721 . 1 1 183 183 PRO CB C 13 32.082 0.000 . 1 . . . . . 265 PRO CB . 27275 1 722 . 1 1 184 184 SER H H 1 8.441 0.004 . 1 . . . . . 266 SER H . 27275 1 723 . 1 1 184 184 SER C C 13 174.869 0.040 . 1 . . . . . 266 SER C . 27275 1 724 . 1 1 184 184 SER CA C 13 58.603 0.000 . 1 . . . . . 266 SER CA . 27275 1 725 . 1 1 184 184 SER CB C 13 64.080 0.053 . 1 . . . . . 266 SER CB . 27275 1 726 . 1 1 184 184 SER N N 15 116.585 0.013 . 1 . . . . . 266 SER N . 27275 1 727 . 1 1 185 185 GLN H H 1 8.434 0.002 . 1 . . . . . 267 GLN H . 27275 1 728 . 1 1 185 185 GLN C C 13 175.985 0.016 . 1 . . . . . 267 GLN C . 27275 1 729 . 1 1 185 185 GLN CA C 13 56.289 0.000 . 1 . . . . . 267 GLN CA . 27275 1 730 . 1 1 185 185 GLN CB C 13 29.291 0.008 . 1 . . . . . 267 GLN CB . 27275 1 731 . 1 1 185 185 GLN N N 15 122.710 0.010 . 1 . . . . . 267 GLN N . 27275 1 732 . 1 1 186 186 ASN H H 1 8.394 0.005 . 1 . . . . . 268 ASN H . 27275 1 733 . 1 1 186 186 ASN C C 13 175.122 0.005 . 1 . . . . . 268 ASN C . 27275 1 734 . 1 1 186 186 ASN CA C 13 53.684 0.000 . 1 . . . . . 268 ASN CA . 27275 1 735 . 1 1 186 186 ASN CB C 13 38.987 0.019 . 1 . . . . . 268 ASN CB . 27275 1 736 . 1 1 186 186 ASN N N 15 119.925 0.033 . 1 . . . . . 268 ASN N . 27275 1 737 . 1 1 187 187 ASP H H 1 8.285 0.005 . 1 . . . . . 269 ASP H . 27275 1 738 . 1 1 187 187 ASP C C 13 176.665 0.034 . 1 . . . . . 269 ASP C . 27275 1 739 . 1 1 187 187 ASP CA C 13 54.783 0.000 . 1 . . . . . 269 ASP CA . 27275 1 740 . 1 1 187 187 ASP CB C 13 41.118 0.007 . 1 . . . . . 269 ASP CB . 27275 1 741 . 1 1 187 187 ASP N N 15 121.401 0.028 . 1 . . . . . 269 ASP N . 27275 1 742 . 1 1 188 188 LEU H H 1 8.134 0.001 . 1 . . . . . 270 LEU H . 27275 1 743 . 1 1 188 188 LEU C C 13 177.729 0.030 . 1 . . . . . 270 LEU C . 27275 1 744 . 1 1 188 188 LEU CA C 13 55.797 0.000 . 1 . . . . . 270 LEU CA . 27275 1 745 . 1 1 188 188 LEU CB C 13 42.067 0.094 . 1 . . . . . 270 LEU CB . 27275 1 746 . 1 1 188 188 LEU N N 15 122.773 0.036 . 1 . . . . . 270 LEU N . 27275 1 747 . 1 1 189 189 ALA H H 1 8.156 0.002 . 1 . . . . . 271 ALA H . 27275 1 748 . 1 1 189 189 ALA C C 13 177.989 0.008 . 1 . . . . . 271 ALA C . 27275 1 749 . 1 1 189 189 ALA CA C 13 52.946 0.000 . 1 . . . . . 271 ALA CA . 27275 1 750 . 1 1 189 189 ALA CB C 13 18.911 0.013 . 1 . . . . . 271 ALA CB . 27275 1 751 . 1 1 189 189 ALA N N 15 123.928 0.019 . 1 . . . . . 271 ALA N . 27275 1 752 . 1 1 190 190 SER H H 1 8.037 0.002 . 1 . . . . . 272 SER H . 27275 1 753 . 1 1 190 190 SER C C 13 174.614 0.152 . 1 . . . . . 272 SER C . 27275 1 754 . 1 1 190 190 SER CA C 13 58.716 0.012 . 1 . . . . . 272 SER CA . 27275 1 755 . 1 1 190 190 SER CB C 13 63.929 0.011 . 1 . . . . . 272 SER CB . 27275 1 756 . 1 1 190 190 SER N N 15 114.490 0.038 . 1 . . . . . 272 SER N . 27275 1 757 . 1 1 191 191 LEU H H 1 8.149 0.002 . 1 . . . . . 273 LEU H . 27275 1 758 . 1 1 191 191 LEU C C 13 176.413 0.035 . 1 . . . . . 273 LEU C . 27275 1 759 . 1 1 191 191 LEU CA C 13 55.510 0.000 . 1 . . . . . 273 LEU CA . 27275 1 760 . 1 1 191 191 LEU CB C 13 42.403 0.005 . 1 . . . . . 273 LEU CB . 27275 1 761 . 1 1 191 191 LEU N N 15 125.021 0.021 . 1 . . . . . 273 LEU N . 27275 1 762 . 1 1 192 192 ILE H H 1 7.521 0.001 . 1 . . . . . 274 ILE H . 27275 1 763 . 1 1 192 192 ILE C C 13 181.045 0.000 . 1 . . . . . 274 ILE C . 27275 1 764 . 1 1 192 192 ILE CA C 13 63.028 0.000 . 1 . . . . . 274 ILE CA . 27275 1 765 . 1 1 192 192 ILE CB C 13 39.858 0.000 . 1 . . . . . 274 ILE CB . 27275 1 766 . 1 1 192 192 ILE N N 15 125.135 0.009 . 1 . . . . . 274 ILE N . 27275 1 stop_ save_