data_26816 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26816 _Entry.Title ; The intrinsically disordered domain of TDP-43 in the presence of 8 M urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-15 _Entry.Accession_date 2016-06-15 _Entry.Last_release_date 2016-11-16 _Entry.Original_release_date 2016-11-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jie-rong Huang . . . . 26816 2 Tsai-Chen Chen . . . . 26816 3 Chih-Lun Hsiao . . . . 26816 4 Shing-Jong Huang . . . . 26816 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26816 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 26816 '15N chemical shifts' 145 26816 '1H chemical shifts' 145 26816 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-11-16 . original BMRB . 26816 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26816 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27653629 _Citation.Full_citation . _Citation.Title ; The nearest-neighbor effect on random-coil NMR chemical shifts demonstrated using a low-complexity amino-acid sequence ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Pept. Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 967 _Citation.Page_last 975 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tsai-Chen Chen . . . . 26816 1 2 Chih-Lun Hsiao . . . . 26816 1 3 Shing-Jong Huang . . . . 26816 1 4 Jie-rong Huang . . . . 26816 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26816 _Assembly.ID 1 _Assembly.Name TDP-43-C _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TDP-43-C 1 $TDP-43-C A . yes denatured no no . . . 26816 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TDP-43-C _Entity.Sf_category entity _Entity.Sf_framecode TDP-43-C _Entity.Entry_ID 26816 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TDP-43-C _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 ; MASHHHHHHGSSNRQLERSG RFGGNPGGFGNQGGFGNSRG GGAGLGNNQGSNMGGGMNFG AFSINPAMMAAAQAALQSSW GMMGMLASQQNQSGPSGNNQ NQGNMQREPNQAFGSGNNSY SGSNSGAAIGWGSASNAGSG SGFNGGFGSSMDSKSSGWGM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 155 MET . 26816 1 2 156 ALA . 26816 1 3 157 SER . 26816 1 4 158 HIS . 26816 1 5 159 HIS . 26816 1 6 160 HIS . 26816 1 7 161 HIS . 26816 1 8 162 HIS . 26816 1 9 163 HIS . 26816 1 10 164 GLY . 26816 1 11 165 SER . 26816 1 12 166 SER . 26816 1 13 167 ASN . 26816 1 14 168 ARG . 26816 1 15 169 GLN . 26816 1 16 170 LEU . 26816 1 17 171 GLU . 26816 1 18 172 ARG . 26816 1 19 173 SER . 26816 1 20 174 GLY . 26816 1 21 175 ARG . 26816 1 22 176 PHE . 26816 1 23 177 GLY . 26816 1 24 178 GLY . 26816 1 25 179 ASN . 26816 1 26 180 PRO . 26816 1 27 181 GLY . 26816 1 28 182 GLY . 26816 1 29 183 PHE . 26816 1 30 184 GLY . 26816 1 31 185 ASN . 26816 1 32 186 GLN . 26816 1 33 187 GLY . 26816 1 34 188 GLY . 26816 1 35 189 PHE . 26816 1 36 190 GLY . 26816 1 37 191 ASN . 26816 1 38 192 SER . 26816 1 39 193 ARG . 26816 1 40 194 GLY . 26816 1 41 195 GLY . 26816 1 42 196 GLY . 26816 1 43 197 ALA . 26816 1 44 198 GLY . 26816 1 45 199 LEU . 26816 1 46 200 GLY . 26816 1 47 201 ASN . 26816 1 48 202 ASN . 26816 1 49 203 GLN . 26816 1 50 204 GLY . 26816 1 51 205 SER . 26816 1 52 206 ASN . 26816 1 53 207 MET . 26816 1 54 208 GLY . 26816 1 55 209 GLY . 26816 1 56 210 GLY . 26816 1 57 211 MET . 26816 1 58 212 ASN . 26816 1 59 213 PHE . 26816 1 60 214 GLY . 26816 1 61 215 ALA . 26816 1 62 216 PHE . 26816 1 63 217 SER . 26816 1 64 218 ILE . 26816 1 65 219 ASN . 26816 1 66 220 PRO . 26816 1 67 221 ALA . 26816 1 68 222 MET . 26816 1 69 223 MET . 26816 1 70 224 ALA . 26816 1 71 225 ALA . 26816 1 72 226 ALA . 26816 1 73 227 GLN . 26816 1 74 228 ALA . 26816 1 75 229 ALA . 26816 1 76 230 LEU . 26816 1 77 231 GLN . 26816 1 78 232 SER . 26816 1 79 233 SER . 26816 1 80 234 TRP . 26816 1 81 235 GLY . 26816 1 82 236 MET . 26816 1 83 237 MET . 26816 1 84 238 GLY . 26816 1 85 239 MET . 26816 1 86 240 LEU . 26816 1 87 241 ALA . 26816 1 88 242 SER . 26816 1 89 243 GLN . 26816 1 90 244 GLN . 26816 1 91 245 ASN . 26816 1 92 246 GLN . 26816 1 93 247 SER . 26816 1 94 248 GLY . 26816 1 95 249 PRO . 26816 1 96 250 SER . 26816 1 97 251 GLY . 26816 1 98 252 ASN . 26816 1 99 253 ASN . 26816 1 100 254 GLN . 26816 1 101 255 ASN . 26816 1 102 256 GLN . 26816 1 103 257 GLY . 26816 1 104 258 ASN . 26816 1 105 259 MET . 26816 1 106 260 GLN . 26816 1 107 261 ARG . 26816 1 108 262 GLU . 26816 1 109 263 PRO . 26816 1 110 264 ASN . 26816 1 111 265 GLN . 26816 1 112 266 ALA . 26816 1 113 267 PHE . 26816 1 114 268 GLY . 26816 1 115 269 SER . 26816 1 116 270 GLY . 26816 1 117 271 ASN . 26816 1 118 272 ASN . 26816 1 119 273 SER . 26816 1 120 274 TYR . 26816 1 121 275 SER . 26816 1 122 276 GLY . 26816 1 123 277 SER . 26816 1 124 278 ASN . 26816 1 125 279 SER . 26816 1 126 280 GLY . 26816 1 127 281 ALA . 26816 1 128 282 ALA . 26816 1 129 283 ILE . 26816 1 130 284 GLY . 26816 1 131 285 TRP . 26816 1 132 286 GLY . 26816 1 133 287 SER . 26816 1 134 288 ALA . 26816 1 135 289 SER . 26816 1 136 290 ASN . 26816 1 137 291 ALA . 26816 1 138 292 GLY . 26816 1 139 293 SER . 26816 1 140 294 GLY . 26816 1 141 295 SER . 26816 1 142 296 GLY . 26816 1 143 297 PHE . 26816 1 144 298 ASN . 26816 1 145 299 GLY . 26816 1 146 300 GLY . 26816 1 147 301 PHE . 26816 1 148 302 GLY . 26816 1 149 303 SER . 26816 1 150 304 SER . 26816 1 151 305 MET . 26816 1 152 306 ASP . 26816 1 153 307 SER . 26816 1 154 308 LYS . 26816 1 155 309 SER . 26816 1 156 310 SER . 26816 1 157 311 GLY . 26816 1 158 312 TRP . 26816 1 159 313 GLY . 26816 1 160 314 MET . 26816 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26816 1 . ALA 2 2 26816 1 . SER 3 3 26816 1 . HIS 4 4 26816 1 . HIS 5 5 26816 1 . HIS 6 6 26816 1 . HIS 7 7 26816 1 . HIS 8 8 26816 1 . HIS 9 9 26816 1 . GLY 10 10 26816 1 . SER 11 11 26816 1 . SER 12 12 26816 1 . ASN 13 13 26816 1 . ARG 14 14 26816 1 . GLN 15 15 26816 1 . LEU 16 16 26816 1 . GLU 17 17 26816 1 . ARG 18 18 26816 1 . SER 19 19 26816 1 . GLY 20 20 26816 1 . ARG 21 21 26816 1 . PHE 22 22 26816 1 . GLY 23 23 26816 1 . GLY 24 24 26816 1 . ASN 25 25 26816 1 . PRO 26 26 26816 1 . GLY 27 27 26816 1 . GLY 28 28 26816 1 . PHE 29 29 26816 1 . GLY 30 30 26816 1 . ASN 31 31 26816 1 . GLN 32 32 26816 1 . GLY 33 33 26816 1 . GLY 34 34 26816 1 . PHE 35 35 26816 1 . GLY 36 36 26816 1 . ASN 37 37 26816 1 . SER 38 38 26816 1 . ARG 39 39 26816 1 . GLY 40 40 26816 1 . GLY 41 41 26816 1 . GLY 42 42 26816 1 . ALA 43 43 26816 1 . GLY 44 44 26816 1 . LEU 45 45 26816 1 . GLY 46 46 26816 1 . ASN 47 47 26816 1 . ASN 48 48 26816 1 . GLN 49 49 26816 1 . GLY 50 50 26816 1 . SER 51 51 26816 1 . ASN 52 52 26816 1 . MET 53 53 26816 1 . GLY 54 54 26816 1 . GLY 55 55 26816 1 . GLY 56 56 26816 1 . MET 57 57 26816 1 . ASN 58 58 26816 1 . PHE 59 59 26816 1 . GLY 60 60 26816 1 . ALA 61 61 26816 1 . PHE 62 62 26816 1 . SER 63 63 26816 1 . ILE 64 64 26816 1 . ASN 65 65 26816 1 . PRO 66 66 26816 1 . ALA 67 67 26816 1 . MET 68 68 26816 1 . MET 69 69 26816 1 . ALA 70 70 26816 1 . ALA 71 71 26816 1 . ALA 72 72 26816 1 . GLN 73 73 26816 1 . ALA 74 74 26816 1 . ALA 75 75 26816 1 . LEU 76 76 26816 1 . GLN 77 77 26816 1 . SER 78 78 26816 1 . SER 79 79 26816 1 . TRP 80 80 26816 1 . GLY 81 81 26816 1 . MET 82 82 26816 1 . MET 83 83 26816 1 . GLY 84 84 26816 1 . MET 85 85 26816 1 . LEU 86 86 26816 1 . ALA 87 87 26816 1 . SER 88 88 26816 1 . GLN 89 89 26816 1 . GLN 90 90 26816 1 . ASN 91 91 26816 1 . GLN 92 92 26816 1 . SER 93 93 26816 1 . GLY 94 94 26816 1 . PRO 95 95 26816 1 . SER 96 96 26816 1 . GLY 97 97 26816 1 . ASN 98 98 26816 1 . ASN 99 99 26816 1 . GLN 100 100 26816 1 . ASN 101 101 26816 1 . GLN 102 102 26816 1 . GLY 103 103 26816 1 . ASN 104 104 26816 1 . MET 105 105 26816 1 . GLN 106 106 26816 1 . ARG 107 107 26816 1 . GLU 108 108 26816 1 . PRO 109 109 26816 1 . ASN 110 110 26816 1 . GLN 111 111 26816 1 . ALA 112 112 26816 1 . PHE 113 113 26816 1 . GLY 114 114 26816 1 . SER 115 115 26816 1 . GLY 116 116 26816 1 . ASN 117 117 26816 1 . ASN 118 118 26816 1 . SER 119 119 26816 1 . TYR 120 120 26816 1 . SER 121 121 26816 1 . GLY 122 122 26816 1 . SER 123 123 26816 1 . ASN 124 124 26816 1 . SER 125 125 26816 1 . GLY 126 126 26816 1 . ALA 127 127 26816 1 . ALA 128 128 26816 1 . ILE 129 129 26816 1 . GLY 130 130 26816 1 . TRP 131 131 26816 1 . GLY 132 132 26816 1 . SER 133 133 26816 1 . ALA 134 134 26816 1 . SER 135 135 26816 1 . ASN 136 136 26816 1 . ALA 137 137 26816 1 . GLY 138 138 26816 1 . SER 139 139 26816 1 . GLY 140 140 26816 1 . SER 141 141 26816 1 . GLY 142 142 26816 1 . PHE 143 143 26816 1 . ASN 144 144 26816 1 . GLY 145 145 26816 1 . GLY 146 146 26816 1 . PHE 147 147 26816 1 . GLY 148 148 26816 1 . SER 149 149 26816 1 . SER 150 150 26816 1 . MET 151 151 26816 1 . ASP 152 152 26816 1 . SER 153 153 26816 1 . LYS 154 154 26816 1 . SER 155 155 26816 1 . SER 156 156 26816 1 . GLY 157 157 26816 1 . TRP 158 158 26816 1 . GLY 159 159 26816 1 . MET 160 160 26816 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 26816 _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 $TDP-43-C . 9606 plasmid . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26816 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 26816 _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 $TDP-43-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21 . . . 26816 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26816 _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 TDP-43-C '[U-99% 13C; U-99% 15N]' . . 1 $TDP-43-C . . 0.8 . . mM . . . . 26816 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26816 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26816 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 26816 _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' 0 . M 26816 1 pH 2.5 . pH 26816 1 pressure 1 . atm 26816 1 temperature 283 . K 26816 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26816 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26816 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26816 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26816 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26816 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 26816 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 26816 _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 . . . . . . . . . . . . . . . . 26816 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26816 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 26816 _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 . . . . . 26816 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26816 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26816 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 26816 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 26816 _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' . . . 26816 1 2 '3D HNCO' . . . 26816 1 3 '3D HNCA' . . . 26816 1 4 '3D HNCACB' . . . 26816 1 5 '3D HN(CO)CA' . . . 26816 1 6 '3D CBCA(CO)NH' . . . 26816 1 7 '3D HCACO' . . . 26816 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 SER H H 1 8.661 . 1 . . . . . 266 S HN . 26816 1 2 . 1 1 12 12 SER C C 13 174.309 . 1 . . . . . 266 S CO . 26816 1 3 . 1 1 12 12 SER CA C 13 58.2835 . 1 . . . . . 266 S CA . 26816 1 4 . 1 1 12 12 SER CB C 13 64.0105 . 1 . . . . . 266 S CB . 26816 1 5 . 1 1 12 12 SER N N 15 118.135 . 1 . . . . . 266 S N . 26816 1 6 . 1 1 13 13 ASN H H 1 8.646 . 1 . . . . . 267 N HN . 26816 1 7 . 1 1 13 13 ASN C C 13 175.331 . 1 . . . . . 267 N CO . 26816 1 8 . 1 1 13 13 ASN CA C 13 53.3355 . 1 . . . . . 267 N CA . 26816 1 9 . 1 1 13 13 ASN CB C 13 38.8005 . 1 . . . . . 267 N CB . 26816 1 10 . 1 1 13 13 ASN N N 15 121.438 . 1 . . . . . 267 N N . 26816 1 11 . 1 1 14 14 ARG H H 1 8.488 . 1 . . . . . 268 R HN . 26816 1 12 . 1 1 14 14 ARG C C 13 176.263 . 1 . . . . . 268 R CO . 26816 1 13 . 1 1 14 14 ARG CA C 13 56.4435 . 1 . . . . . 268 R CA . 26816 1 14 . 1 1 14 14 ARG CB C 13 30.8665 . 1 . . . . . 268 R CB . 26816 1 15 . 1 1 14 14 ARG N N 15 122.091 . 1 . . . . . 268 R N . 26816 1 16 . 1 1 15 15 GLN H H 1 8.583 . 1 . . . . . 269 Q HN . 26816 1 17 . 1 1 15 15 GLN C C 13 175.972 . 1 . . . . . 269 Q CO . 26816 1 18 . 1 1 15 15 GLN CA C 13 55.8505 . 1 . . . . . 269 Q CA . 26816 1 19 . 1 1 15 15 GLN CB C 13 29.4615 . 1 . . . . . 269 Q CB . 26816 1 20 . 1 1 15 15 GLN N N 15 122.099 . 1 . . . . . 269 Q N . 26816 1 21 . 1 1 16 16 LEU H H 1 8.446 . 1 . . . . . 270 L HN . 26816 1 22 . 1 1 16 16 LEU C C 13 177.336 . 1 . . . . . 270 L CO . 26816 1 23 . 1 1 16 16 LEU CA C 13 55.2015 . 1 . . . . . 270 L CA . 26816 1 24 . 1 1 16 16 LEU CB C 13 42.3795 . 1 . . . . . 270 L CB . 26816 1 25 . 1 1 16 16 LEU N N 15 124.229 . 1 . . . . . 270 L N . 26816 1 26 . 1 1 17 17 GLU H H 1 8.566 . 1 . . . . . 271 E HN . 26816 1 27 . 1 1 17 17 GLU C C 13 176.063 . 1 . . . . . 271 E CO . 26816 1 28 . 1 1 17 17 GLU CA C 13 55.6065 . 1 . . . . . 271 E CA . 26816 1 29 . 1 1 17 17 GLU CB C 13 28.9175 . 1 . . . . . 271 E CB . 26816 1 30 . 1 1 17 17 GLU N N 15 122.005 . 1 . . . . . 271 E N . 26816 1 31 . 1 1 18 18 ARG H H 1 8.640 . 1 . . . . . 272 R HN . 26816 1 32 . 1 1 18 18 ARG C C 13 176.269 . 1 . . . . . 272 R CO . 26816 1 33 . 1 1 18 18 ARG CA C 13 56.2125 . 1 . . . . . 272 R CA . 26816 1 34 . 1 1 18 18 ARG CB C 13 31.0455 . 1 . . . . . 272 R CB . 26816 1 35 . 1 1 18 18 ARG N N 15 123.316 . 1 . . . . . 272 R N . 26816 1 36 . 1 1 19 19 SER H H 1 8.570 . 1 . . . . . 273 S HN . 26816 1 37 . 1 1 19 19 SER C C 13 174.928 . 1 . . . . . 273 S CO . 26816 1 38 . 1 1 19 19 SER CA C 13 58.3205 . 1 . . . . . 273 S CA . 26816 1 39 . 1 1 19 19 SER CB C 13 64.1885 . 1 . . . . . 273 S CB . 26816 1 40 . 1 1 19 19 SER N N 15 117.443 . 1 . . . . . 273 S N . 26816 1 41 . 1 1 20 20 GLY H H 1 8.546 . 1 . . . . . 274 G HN . 26816 1 42 . 1 1 20 20 GLY C C 13 173.882 . 1 . . . . . 274 G CO . 26816 1 43 . 1 1 20 20 GLY CA C 13 45.2245 . 1 . . . . . 274 G CA . 26816 1 44 . 1 1 20 20 GLY N N 15 110.828 . 1 . . . . . 274 G N . 26816 1 45 . 1 1 21 21 ARG H H 1 8.299 . 1 . . . . . 275 R HN . 26816 1 46 . 1 1 21 21 ARG C C 13 176.158 . 1 . . . . . 275 R CO . 26816 1 47 . 1 1 21 21 ARG CA C 13 56.3525 . 1 . . . . . 275 R CA . 26816 1 48 . 1 1 21 21 ARG CB C 13 30.9575 . 1 . . . . . 275 R CB . 26816 1 49 . 1 1 21 21 ARG N N 15 120.858 . 1 . . . . . 275 R N . 26816 1 50 . 1 1 22 22 PHE H H 1 8.545 . 1 . . . . . 276 F HN . 26816 1 51 . 1 1 22 22 PHE C C 13 176.264 . 1 . . . . . 276 F CO . 26816 1 52 . 1 1 22 22 PHE CA C 13 57.7295 . 1 . . . . . 276 F CA . 26816 1 53 . 1 1 22 22 PHE CB C 13 39.7255 . 1 . . . . . 276 F CB . 26816 1 54 . 1 1 22 22 PHE N N 15 121.697 . 1 . . . . . 276 F N . 26816 1 55 . 1 1 23 23 GLY H H 1 8.437 . 1 . . . . . 277 G HN . 26816 1 56 . 1 1 23 23 GLY C C 13 174.304 . 1 . . . . . 277 G CO . 26816 1 57 . 1 1 23 23 GLY CA C 13 45.2265 . 1 . . . . . 277 G CA . 26816 1 58 . 1 1 23 23 GLY N N 15 111.178 . 1 . . . . . 277 G N . 26816 1 59 . 1 1 24 24 GLY H H 1 7.981 . 1 . . . . . 278 G HN . 26816 1 60 . 1 1 24 24 GLY C C 13 173.37 . 1 . . . . . 278 G CO . 26816 1 61 . 1 1 24 24 GLY CA C 13 44.9145 . 1 . . . . . 278 G CA . 26816 1 62 . 1 1 24 24 GLY N N 15 108.016 . 1 . . . . . 278 G N . 26816 1 63 . 1 1 25 25 ASN H H 1 8.583 . 1 . . . . . 279 N HN . 26816 1 64 . 1 1 25 25 ASN C C 13 173.593 . 1 . . . . . 279 N CO . 26816 1 65 . 1 1 25 25 ASN N N 15 119.294 . 1 . . . . . 279 N N . 26816 1 66 . 1 1 26 26 PRO C C 13 177.286 . 1 . . . . . 280 P CO . 26816 1 67 . 1 1 26 26 PRO CA C 13 63.7845 . 1 . . . . . 280 P CA . 26816 1 68 . 1 1 26 26 PRO CB C 13 32.1145 . 1 . . . . . 280 P CB . 26816 1 69 . 1 1 27 27 GLY H H 1 8.491 . 1 . . . . . 281 G HN . 26816 1 70 . 1 1 27 27 GLY C C 13 174.424 . 1 . . . . . 281 G CO . 26816 1 71 . 1 1 27 27 GLY CA C 13 45.2315 . 1 . . . . . 281 G CA . 26816 1 72 . 1 1 27 27 GLY N N 15 108.780 . 1 . . . . . 281 G N . 26816 1 73 . 1 1 28 28 GLY H H 1 8.170 . 1 . . . . . 282 G HN . 26816 1 74 . 1 1 28 28 GLY C C 13 173.887 . 1 . . . . . 282 G CO . 26816 1 75 . 1 1 28 28 GLY CA C 13 45.1175 . 1 . . . . . 282 G CA . 26816 1 76 . 1 1 28 28 GLY N N 15 108.368 . 1 . . . . . 282 G N . 26816 1 77 . 1 1 29 29 PHE H H 1 8.309 . 1 . . . . . 283 F HN . 26816 1 78 . 1 1 29 29 PHE C C 13 176.461 . 1 . . . . . 283 F CO . 26816 1 79 . 1 1 29 29 PHE CA C 13 57.9795 . 1 . . . . . 283 F CA . 26816 1 80 . 1 1 29 29 PHE CB C 13 39.7915 . 1 . . . . . 283 F CB . 26816 1 81 . 1 1 29 29 PHE N N 15 119.890 . 1 . . . . . 283 F N . 26816 1 82 . 1 1 30 30 GLY H H 1 8.529 . 1 . . . . . 284 G HN . 26816 1 83 . 1 1 30 30 GLY C C 13 173.887 . 1 . . . . . 284 G CO . 26816 1 84 . 1 1 30 30 GLY CA C 13 45.3465 . 1 . . . . . 284 G CA . 26816 1 85 . 1 1 30 30 GLY N N 15 110.482 . 1 . . . . . 284 G N . 26816 1 86 . 1 1 31 31 ASN H H 1 8.459 . 1 . . . . . 285 N HN . 26816 1 87 . 1 1 31 31 ASN C C 13 175.581 . 1 . . . . . 285 N CO . 26816 1 88 . 1 1 31 31 ASN CA C 13 53.3065 . 1 . . . . . 285 N CA . 26816 1 89 . 1 1 31 31 ASN CB C 13 38.9575 . 1 . . . . . 285 N CB . 26816 1 90 . 1 1 31 31 ASN N N 15 118.985 . 1 . . . . . 285 N N . 26816 1 91 . 1 1 32 32 GLN H H 1 8.629 . 1 . . . . . 286 Q HN . 26816 1 92 . 1 1 32 32 GLN C C 13 176.464 . 1 . . . . . 286 Q CO . 26816 1 93 . 1 1 32 32 GLN CA C 13 56.2655 . 1 . . . . . 286 Q CA . 26816 1 94 . 1 1 32 32 GLN CB C 13 29.4045 . 1 . . . . . 286 Q CB . 26816 1 95 . 1 1 32 32 GLN N N 15 120.929 . 1 . . . . . 286 Q N . 26816 1 96 . 1 1 33 33 GLY H H 1 8.489 . 1 . . . . . 287 G HN . 26816 1 97 . 1 1 33 33 GLY C C 13 174.365 . 1 . . . . . 287 G CO . 26816 1 98 . 1 1 33 33 GLY CA C 13 45.3145 . 1 . . . . . 287 G CA . 26816 1 99 . 1 1 33 33 GLY N N 15 109.646 . 1 . . . . . 287 G N . 26816 1 100 . 1 1 34 34 GLY H H 1 8.245 . 1 . . . . . 288 G HN . 26816 1 101 . 1 1 34 34 GLY C C 13 173.929 . 1 . . . . . 288 G CO . 26816 1 102 . 1 1 34 34 GLY CA C 13 45.1175 . 1 . . . . . 288 G CA . 26816 1 103 . 1 1 34 34 GLY N N 15 108.482 . 1 . . . . . 288 G N . 26816 1 104 . 1 1 35 35 PHE H H 1 8.313 . 1 . . . . . 289 F HN . 26816 1 105 . 1 1 35 35 PHE C C 13 176.46 . 1 . . . . . 289 F CO . 26816 1 106 . 1 1 35 35 PHE CA C 13 57.9805 . 1 . . . . . 289 F CA . 26816 1 107 . 1 1 35 35 PHE CB C 13 39.8205 . 1 . . . . . 289 F CB . 26816 1 108 . 1 1 35 35 PHE N N 15 119.854 . 1 . . . . . 289 F N . 26816 1 109 . 1 1 36 36 GLY H H 1 8.530 . 1 . . . . . 290 G HN . 26816 1 110 . 1 1 36 36 GLY C C 13 173.808 . 1 . . . . . 290 G CO . 26816 1 111 . 1 1 36 36 GLY CA C 13 45.3395 . 1 . . . . . 290 G CA . 26816 1 112 . 1 1 36 36 GLY N N 15 110.517 . 1 . . . . . 290 G N . 26816 1 113 . 1 1 37 37 ASN H H 1 8.436 . 1 . . . . . 291 N HN . 26816 1 114 . 1 1 37 37 ASN C C 13 175.571 . 1 . . . . . 291 N CO . 26816 1 115 . 1 1 37 37 ASN CA C 13 53.1065 . 1 . . . . . 291 N CA . 26816 1 116 . 1 1 37 37 ASN CB C 13 39.1245 . 1 . . . . . 291 N CB . 26816 1 117 . 1 1 37 37 ASN N N 15 119.008 . 1 . . . . . 291 N N . 26816 1 118 . 1 1 38 38 SER H H 1 8.519 . 1 . . . . . 292 S HN . 26816 1 119 . 1 1 38 38 SER C C 13 174.798 . 1 . . . . . 292 S CO . 26816 1 120 . 1 1 38 38 SER CA C 13 58.7815 . 1 . . . . . 292 S CA . 26816 1 121 . 1 1 38 38 SER CB C 13 63.8775 . 1 . . . . . 292 S CB . 26816 1 122 . 1 1 38 38 SER N N 15 116.746 . 1 . . . . . 292 S N . 26816 1 123 . 1 1 39 39 ARG H H 1 8.571 . 1 . . . . . 293 R HN . 26816 1 124 . 1 1 39 39 ARG C C 13 176.828 . 1 . . . . . 293 R CO . 26816 1 125 . 1 1 39 39 ARG CA C 13 56.4865 . 1 . . . . . 293 R CA . 26816 1 126 . 1 1 39 39 ARG CB C 13 30.8075 . 1 . . . . . 293 R CB . 26816 1 127 . 1 1 39 39 ARG N N 15 123.019 . 1 . . . . . 293 R N . 26816 1 128 . 1 1 40 40 GLY H H 1 8.461 . 1 . . . . . 294 G HN . 26816 1 129 . 1 1 40 40 GLY C C 13 174.529 . 1 . . . . . 294 G CO . 26816 1 130 . 1 1 40 40 GLY CA C 13 45.3395 . 1 . . . . . 294 G CA . 26816 1 131 . 1 1 40 40 GLY N N 15 109.756 . 1 . . . . . 294 G N . 26816 1 132 . 1 1 41 41 GLY H H 1 8.375 . 1 . . . . . 295 G HN . 26816 1 133 . 1 1 41 41 GLY C C 13 174.681 . 1 . . . . . 295 G CO . 26816 1 134 . 1 1 41 41 GLY CA C 13 45.2635 . 1 . . . . . 295 G CA . 26816 1 135 . 1 1 41 41 GLY N N 15 108.706 . 1 . . . . . 295 G N . 26816 1 136 . 1 1 42 42 GLY H H 1 8.414 . 1 . . . . . 296 G HN . 26816 1 137 . 1 1 42 42 GLY C C 13 173.925 . 1 . . . . . 296 G CO . 26816 1 138 . 1 1 42 42 GLY CA C 13 45.2545 . 1 . . . . . 296 G CA . 26816 1 139 . 1 1 42 42 GLY N N 15 108.915 . 1 . . . . . 296 G N . 26816 1 140 . 1 1 43 43 ALA H H 1 8.382 . 1 . . . . . 297 A HN . 26816 1 141 . 1 1 43 43 ALA C C 13 178.263 . 1 . . . . . 297 A CO . 26816 1 142 . 1 1 43 43 ALA CA C 13 52.6765 . 1 . . . . . 297 A CA . 26816 1 143 . 1 1 43 43 ALA CB C 13 19.3805 . 1 . . . . . 297 A CB . 26816 1 144 . 1 1 43 43 ALA N N 15 123.750 . 1 . . . . . 297 A N . 26816 1 145 . 1 1 44 44 GLY H H 1 8.484 . 1 . . . . . 298 G HN . 26816 1 146 . 1 1 44 44 GLY C C 13 174.178 . 1 . . . . . 298 G CO . 26816 1 147 . 1 1 44 44 GLY CA C 13 45.2965 . 1 . . . . . 298 G CA . 26816 1 148 . 1 1 44 44 GLY N N 15 108.220 . 1 . . . . . 298 G N . 26816 1 149 . 1 1 45 45 LEU H H 1 8.248 . 1 . . . . . 299 L HN . 26816 1 150 . 1 1 45 45 LEU C C 13 178.009 . 1 . . . . . 299 L CO . 26816 1 151 . 1 1 45 45 LEU CA C 13 55.2585 . 1 . . . . . 299 L CA . 26816 1 152 . 1 1 45 45 LEU CB C 13 42.5675 . 1 . . . . . 299 L CB . 26816 1 153 . 1 1 45 45 LEU N N 15 121.460 . 1 . . . . . 299 L N . 26816 1 154 . 1 1 46 46 GLY H H 1 8.543 . 1 . . . . . 300 G HN . 26816 1 155 . 1 1 46 46 GLY C C 13 173.873 . 1 . . . . . 300 G CO . 26816 1 156 . 1 1 46 46 GLY CA C 13 45.2765 . 1 . . . . . 300 G CA . 26816 1 157 . 1 1 46 46 GLY N N 15 109.413 . 1 . . . . . 300 G N . 26816 1 158 . 1 1 47 47 ASN H H 1 8.458 . 1 . . . . . 301 N HN . 26816 1 159 . 1 1 47 47 ASN C C 13 175.252 . 1 . . . . . 301 N CO . 26816 1 160 . 1 1 47 47 ASN CA C 13 53.1405 . 1 . . . . . 301 N CA . 26816 1 161 . 1 1 47 47 ASN CB C 13 38.9895 . 1 . . . . . 301 N CB . 26816 1 162 . 1 1 47 47 ASN N N 15 118.764 . 1 . . . . . 301 N N . 26816 1 163 . 1 1 48 48 ASN H H 1 8.655 . 1 . . . . . 302 N HN . 26816 1 164 . 1 1 48 48 ASN C C 13 175.353 . 1 . . . . . 302 N CO . 26816 1 165 . 1 1 48 48 ASN CA C 13 53.3675 . 1 . . . . . 302 N CA . 26816 1 166 . 1 1 48 48 ASN CB C 13 38.7995 . 1 . . . . . 302 N CB . 26816 1 167 . 1 1 48 48 ASN N N 15 119.632 . 1 . . . . . 302 N N . 26816 1 168 . 1 1 49 49 GLN H H 1 8.497 . 1 . . . . . 303 Q HN . 26816 1 169 . 1 1 49 49 GLN C C 13 176.456 . 1 . . . . . 303 Q CO . 26816 1 170 . 1 1 49 49 GLN CA C 13 56.3275 . 1 . . . . . 303 Q CA . 26816 1 171 . 1 1 49 49 GLN CB C 13 29.3935 . 1 . . . . . 303 Q CB . 26816 1 172 . 1 1 49 49 GLN N N 15 120.877 . 1 . . . . . 303 Q N . 26816 1 173 . 1 1 50 50 GLY H H 1 8.487 . 1 . . . . . 304 G HN . 26816 1 174 . 1 1 50 50 GLY C C 13 174.057 . 1 . . . . . 304 G CO . 26816 1 175 . 1 1 50 50 GLY CA C 13 45.2835 . 1 . . . . . 304 G CA . 26816 1 176 . 1 1 50 50 GLY N N 15 109.785 . 1 . . . . . 304 G N . 26816 1 177 . 1 1 51 51 SER H H 1 8.339 . 1 . . . . . 305 S HN . 26816 1 178 . 1 1 51 51 SER C C 13 174.483 . 1 . . . . . 305 S CO . 26816 1 179 . 1 1 51 51 SER CA C 13 58.3325 . 1 . . . . . 305 S CA . 26816 1 180 . 1 1 51 51 SER CB C 13 64.0905 . 1 . . . . . 305 S CB . 26816 1 181 . 1 1 51 51 SER N N 15 115.509 . 1 . . . . . 305 S N . 26816 1 182 . 1 1 52 52 ASN H H 1 8.704 . 1 . . . . . 306 N HN . 26816 1 183 . 1 1 52 52 ASN C C 13 175.438 . 1 . . . . . 306 N CO . 26816 1 184 . 1 1 52 52 ASN CB C 13 38.7995 . 1 . . . . . 306 N CB . 26816 1 185 . 1 1 52 52 ASN N N 15 121.110 . 1 . . . . . 306 N N . 26816 1 186 . 1 1 53 53 MET H H 1 8.489 . 1 . . . . . 307 M HN . 26816 1 187 . 1 1 53 53 MET C C 13 176.812 . 1 . . . . . 307 M CO . 26816 1 188 . 1 1 53 53 MET CA C 13 55.6295 . 1 . . . . . 307 M CA . 26816 1 189 . 1 1 53 53 MET CB C 13 32.7015 . 1 . . . . . 307 M CB . 26816 1 190 . 1 1 53 53 MET N N 15 120.859 . 1 . . . . . 307 M N . 26816 1 191 . 1 1 54 54 GLY H H 1 8.490 . 1 . . . . . 308 G HN . 26816 1 192 . 1 1 54 54 GLY C C 13 174.559 . 1 . . . . . 308 G CO . 26816 1 193 . 1 1 54 54 GLY CA C 13 45.3795 . 1 . . . . . 308 G CA . 26816 1 194 . 1 1 54 54 GLY N N 15 109.782 . 1 . . . . . 308 G N . 26816 1 195 . 1 1 55 55 GLY H H 1 8.355 . 1 . . . . . 309 G HN . 26816 1 196 . 1 1 55 55 GLY C C 13 174.674 . 1 . . . . . 309 G CO . 26816 1 197 . 1 1 55 55 GLY CA C 13 45.3105 . 1 . . . . . 309 G CA . 26816 1 198 . 1 1 55 55 GLY N N 15 108.662 . 1 . . . . . 309 G N . 26816 1 199 . 1 1 56 56 GLY H H 1 8.407 . 1 . . . . . 310 G HN . 26816 1 200 . 1 1 56 56 GLY C C 13 174.096 . 1 . . . . . 310 G CO . 26816 1 201 . 1 1 56 56 GLY CA C 13 45.1755 . 1 . . . . . 310 G CA . 26816 1 202 . 1 1 56 56 GLY N N 15 108.759 . 1 . . . . . 310 G N . 26816 1 203 . 1 1 57 57 MET H H 1 8.384 . 1 . . . . . 311 M HN . 26816 1 204 . 1 1 57 57 MET C C 13 175.751 . 1 . . . . . 311 M CO . 26816 1 205 . 1 1 57 57 MET CA C 13 55.4405 . 1 . . . . . 311 M CA . 26816 1 206 . 1 1 57 57 MET CB C 13 32.9985 . 1 . . . . . 311 M CB . 26816 1 207 . 1 1 57 57 MET N N 15 119.722 . 1 . . . . . 311 M N . 26816 1 208 . 1 1 58 58 ASN H H 1 8.566 . 1 . . . . . 312 N HN . 26816 1 209 . 1 1 58 58 ASN C C 13 174.934 . 1 . . . . . 312 N CO . 26816 1 210 . 1 1 58 58 ASN CA C 13 52.9235 . 1 . . . . . 312 N CA . 26816 1 211 . 1 1 58 58 ASN CB C 13 38.9065 . 1 . . . . . 312 N CB . 26816 1 212 . 1 1 58 58 ASN N N 15 120.085 . 1 . . . . . 312 N N . 26816 1 213 . 1 1 59 59 PHE H H 1 8.416 . 1 . . . . . 313 F HN . 26816 1 214 . 1 1 59 59 PHE C C 13 176.223 . 1 . . . . . 313 F CO . 26816 1 215 . 1 1 59 59 PHE CA C 13 58.1005 . 1 . . . . . 313 F CA . 26816 1 216 . 1 1 59 59 PHE CB C 13 39.5575 . 1 . . . . . 313 F CB . 26816 1 217 . 1 1 59 59 PHE N N 15 121.454 . 1 . . . . . 313 F N . 26816 1 218 . 1 1 60 60 GLY H H 1 8.440 . 1 . . . . . 314 G HN . 26816 1 219 . 1 1 60 60 GLY C C 13 173.727 . 1 . . . . . 314 G CO . 26816 1 220 . 1 1 60 60 GLY CA C 13 45.2035 . 1 . . . . . 314 G CA . 26816 1 221 . 1 1 60 60 GLY N N 15 110.150 . 1 . . . . . 314 G N . 26816 1 222 . 1 1 61 61 ALA H H 1 8.148 . 1 . . . . . 315 A HN . 26816 1 223 . 1 1 61 61 ALA C C 13 177.407 . 1 . . . . . 315 A CO . 26816 1 224 . 1 1 61 61 ALA CA C 13 52.6525 . 1 . . . . . 315 A CA . 26816 1 225 . 1 1 61 61 ALA CB C 13 19.2485 . 1 . . . . . 315 A CB . 26816 1 226 . 1 1 61 61 ALA N N 15 123.728 . 1 . . . . . 315 A N . 26816 1 227 . 1 1 62 62 PHE H H 1 8.269 . 1 . . . . . 316 F HN . 26816 1 228 . 1 1 62 62 PHE C C 13 175.667 . 1 . . . . . 316 F CO . 26816 1 229 . 1 1 62 62 PHE CA C 13 57.5105 . 1 . . . . . 316 F CA . 26816 1 230 . 1 1 62 62 PHE CB C 13 39.7145 . 1 . . . . . 316 F CB . 26816 1 231 . 1 1 62 62 PHE N N 15 119.025 . 1 . . . . . 316 F N . 26816 1 232 . 1 1 63 63 SER H H 1 8.311 . 1 . . . . . 317 S HN . 26816 1 233 . 1 1 63 63 SER C C 13 174.045 . 1 . . . . . 317 S CO . 26816 1 234 . 1 1 63 63 SER CA C 13 58.0255 . 1 . . . . . 317 S CA . 26816 1 235 . 1 1 63 63 SER CB C 13 64.1295 . 1 . . . . . 317 S CB . 26816 1 236 . 1 1 63 63 SER N N 15 117.694 . 1 . . . . . 317 S N . 26816 1 237 . 1 1 64 64 ILE H H 1 8.303 . 1 . . . . . 318 I HN . 26816 1 238 . 1 1 64 64 ILE C C 13 175.532 . 1 . . . . . 318 I CO . 26816 1 239 . 1 1 64 64 ILE CA C 13 60.9785 . 1 . . . . . 318 I CA . 26816 1 240 . 1 1 64 64 ILE CB C 13 39.0395 . 1 . . . . . 318 I CB . 26816 1 241 . 1 1 64 64 ILE N N 15 122.487 . 1 . . . . . 318 I N . 26816 1 242 . 1 1 65 65 ASN H H 1 8.614 . 1 . . . . . 319 N HN . 26816 1 243 . 1 1 65 65 ASN C C 13 173.575 . 1 . . . . . 319 N CO . 26816 1 244 . 1 1 65 65 ASN N N 15 123.651 . 1 . . . . . 319 N N . 26816 1 245 . 1 1 66 66 PRO C C 13 176.77 . 1 . . . . . 320 P CO . 26816 1 246 . 1 1 67 67 ALA H H 1 8.317 . 1 . . . . . 321 A HN . 26816 1 247 . 1 1 67 67 ALA C C 13 178.113 . 1 . . . . . 321 A CO . 26816 1 248 . 1 1 67 67 ALA CA C 13 52.9065 . 1 . . . . . 321 A CA . 26816 1 249 . 1 1 67 67 ALA CB C 13 18.9545 . 1 . . . . . 321 A CB . 26816 1 250 . 1 1 67 67 ALA N N 15 122.774 . 1 . . . . . 321 A N . 26816 1 251 . 1 1 68 68 MET H H 1 8.229 . 1 . . . . . 322 M HN . 26816 1 252 . 1 1 68 68 MET C C 13 176.416 . 1 . . . . . 322 M CO . 26816 1 253 . 1 1 68 68 MET CA C 13 55.5215 . 1 . . . . . 322 M CA . 26816 1 254 . 1 1 68 68 MET CB C 13 32.9575 . 1 . . . . . 322 M CB . 26816 1 255 . 1 1 68 68 MET N N 15 118.938 . 1 . . . . . 322 M N . 26816 1 256 . 1 1 69 69 MET H H 1 8.345 . 1 . . . . . 323 M HN . 26816 1 257 . 1 1 69 69 MET C C 13 176.039 . 1 . . . . . 323 M CO . 26816 1 258 . 1 1 69 69 MET CA C 13 55.6065 . 1 . . . . . 323 M CA . 26816 1 259 . 1 1 69 69 MET CB C 13 33.1345 . 1 . . . . . 323 M CB . 26816 1 260 . 1 1 69 69 MET N N 15 121.793 . 1 . . . . . 323 M N . 26816 1 261 . 1 1 70 70 ALA H H 1 8.450 . 1 . . . . . 324 A HN . 26816 1 262 . 1 1 70 70 ALA C C 13 177.636 . 1 . . . . . 324 A CO . 26816 1 263 . 1 1 70 70 ALA CA C 13 52.6215 . 1 . . . . . 324 A CA . 26816 1 264 . 1 1 70 70 ALA CB C 13 19.1675 . 1 . . . . . 324 A CB . 26816 1 265 . 1 1 70 70 ALA N N 15 125.596 . 1 . . . . . 324 A N . 26816 1 266 . 1 1 71 71 ALA H H 1 8.379 . 1 . . . . . 325 A HN . 26816 1 267 . 1 1 71 71 ALA C C 13 177.817 . 1 . . . . . 325 A CO . 26816 1 268 . 1 1 71 71 ALA CA C 13 52.6505 . 1 . . . . . 325 A CA . 26816 1 269 . 1 1 71 71 ALA CB C 13 19.0805 . 1 . . . . . 325 A CB . 26816 1 270 . 1 1 71 71 ALA N N 15 123.648 . 1 . . . . . 325 A N . 26816 1 271 . 1 1 72 72 ALA H H 1 8.357 . 1 . . . . . 326 A HN . 26816 1 272 . 1 1 72 72 ALA C C 13 177.995 . 1 . . . . . 326 A CO . 26816 1 273 . 1 1 72 72 ALA CA C 13 52.7555 . 1 . . . . . 326 A CA . 26816 1 274 . 1 1 72 72 ALA CB C 13 19.0815 . 1 . . . . . 326 A CB . 26816 1 275 . 1 1 72 72 ALA N N 15 123.286 . 1 . . . . . 326 A N . 26816 1 276 . 1 1 73 73 GLN H H 1 8.364 . 1 . . . . . 327 Q HN . 26816 1 277 . 1 1 73 73 GLN C C 13 176.006 . 1 . . . . . 327 Q CO . 26816 1 278 . 1 1 73 73 GLN CA C 13 55.8925 . 1 . . . . . 327 Q CA . 26816 1 279 . 1 1 73 73 GLN CB C 13 29.5775 . 1 . . . . . 327 Q CB . 26816 1 280 . 1 1 73 73 GLN N N 15 119.514 . 1 . . . . . 327 Q N . 26816 1 281 . 1 1 74 74 ALA H H 1 8.392 . 1 . . . . . 328 A HN . 26816 1 282 . 1 1 74 74 ALA C C 13 177.57 . 1 . . . . . 328 A CO . 26816 1 283 . 1 1 74 74 ALA CA C 13 52.6875 . 1 . . . . . 328 A CA . 26816 1 284 . 1 1 74 74 ALA CB C 13 19.1915 . 1 . . . . . 328 A CB . 26816 1 285 . 1 1 74 74 ALA N N 15 125.344 . 1 . . . . . 328 A N . 26816 1 286 . 1 1 75 75 ALA H H 1 8.315 . 1 . . . . . 329 A HN . 26816 1 287 . 1 1 75 75 ALA C C 13 177.885 . 1 . . . . . 329 A CO . 26816 1 288 . 1 1 75 75 ALA CA C 13 52.5135 . 1 . . . . . 329 A CA . 26816 1 289 . 1 1 75 75 ALA CB C 13 19.0475 . 1 . . . . . 329 A CB . 26816 1 290 . 1 1 75 75 ALA N N 15 123.189 . 1 . . . . . 329 A N . 26816 1 291 . 1 1 76 76 LEU H H 1 8.269 . 1 . . . . . 330 L HN . 26816 1 292 . 1 1 76 76 LEU C C 13 177.576 . 1 . . . . . 330 L CO . 26816 1 293 . 1 1 76 76 LEU CA C 13 55.2755 . 1 . . . . . 330 L CA . 26816 1 294 . 1 1 76 76 LEU CB C 13 42.3075 . 1 . . . . . 330 L CB . 26816 1 295 . 1 1 76 76 LEU N N 15 121.683 . 1 . . . . . 330 L N . 26816 1 296 . 1 1 77 77 GLN H H 1 8.524 . 1 . . . . . 331 Q HN . 26816 1 297 . 1 1 77 77 GLN C C 13 176.14 . 1 . . . . . 331 Q CO . 26816 1 298 . 1 1 77 77 GLN CA C 13 55.9655 . 1 . . . . . 331 Q CA . 26816 1 299 . 1 1 77 77 GLN CB C 13 29.5085 . 1 . . . . . 331 Q CB . 26816 1 300 . 1 1 77 77 GLN N N 15 121.429 . 1 . . . . . 331 Q N . 26816 1 301 . 1 1 78 78 SER H H 1 8.485 . 1 . . . . . 332 S HN . 26816 1 302 . 1 1 78 78 SER C C 13 174.645 . 1 . . . . . 332 S CO . 26816 1 303 . 1 1 78 78 SER CA C 13 58.4165 . 1 . . . . . 332 S CA . 26816 1 304 . 1 1 78 78 SER CB C 13 63.9895 . 1 . . . . . 332 S CB . 26816 1 305 . 1 1 78 78 SER N N 15 117.278 . 1 . . . . . 332 S N . 26816 1 306 . 1 1 79 79 SER H H 1 8.433 . 1 . . . . . 333 S HN . 26816 1 307 . 1 1 79 79 SER C C 13 174.361 . 1 . . . . . 333 S CO . 26816 1 308 . 1 1 79 79 SER CA C 13 58.4885 . 1 . . . . . 333 S CA . 26816 1 309 . 1 1 79 79 SER CB C 13 63.8515 . 1 . . . . . 333 S CB . 26816 1 310 . 1 1 79 79 SER N N 15 117.904 . 1 . . . . . 333 S N . 26816 1 311 . 1 1 80 80 TRP H H 1 8.266 . 1 . . . . . 334 W HN . 26816 1 312 . 1 1 80 80 TRP C C 13 176.806 . 1 . . . . . 334 W CO . 26816 1 313 . 1 1 80 80 TRP CA C 13 57.7195 . 1 . . . . . 334 W CA . 26816 1 314 . 1 1 80 80 TRP CB C 13 29.7735 . 1 . . . . . 334 W CB . 26816 1 315 . 1 1 80 80 TRP N N 15 123.006 . 1 . . . . . 334 W N . 26816 1 316 . 1 1 81 81 GLY H H 1 8.325 . 1 . . . . . 335 G HN . 26816 1 317 . 1 1 81 81 GLY C C 13 174.156 . 1 . . . . . 335 G CO . 26816 1 318 . 1 1 81 81 GLY CA C 13 45.4625 . 1 . . . . . 335 G CA . 26816 1 319 . 1 1 81 81 GLY N N 15 110.274 . 1 . . . . . 335 G N . 26816 1 320 . 1 1 82 82 MET H H 1 8.231 . 1 . . . . . 336 M HN . 26816 1 321 . 1 1 82 82 MET C C 13 176.541 . 1 . . . . . 336 M CO . 26816 1 322 . 1 1 82 82 MET CA C 13 55.7425 . 1 . . . . . 336 M CA . 26816 1 323 . 1 1 82 82 MET CB C 13 32.8685 . 1 . . . . . 336 M CB . 26816 1 324 . 1 1 82 82 MET N N 15 119.828 . 1 . . . . . 336 M N . 26816 1 325 . 1 1 83 83 MET H H 1 8.554 . 1 . . . . . 337 M HN . 26816 1 326 . 1 1 83 83 MET C C 13 176.801 . 1 . . . . . 337 M CO . 26816 1 327 . 1 1 83 83 MET CA C 13 55.7345 . 1 . . . . . 337 M CA . 26816 1 328 . 1 1 83 83 MET CB C 13 32.7105 . 1 . . . . . 337 M CB . 26816 1 329 . 1 1 83 83 MET N N 15 121.145 . 1 . . . . . 337 M N . 26816 1 330 . 1 1 84 84 GLY H H 1 8.472 . 1 . . . . . 338 G HN . 26816 1 331 . 1 1 84 84 GLY C C 13 173.975 . 1 . . . . . 338 G CO . 26816 1 332 . 1 1 84 84 GLY CA C 13 45.3885 . 1 . . . . . 338 G CA . 26816 1 333 . 1 1 84 84 GLY N N 15 109.949 . 1 . . . . . 338 G N . 26816 1 334 . 1 1 85 85 MET H H 1 8.290 . 1 . . . . . 339 M HN . 26816 1 335 . 1 1 85 85 MET C C 13 176.401 . 1 . . . . . 339 M CO . 26816 1 336 . 1 1 85 85 MET CA C 13 55.6535 . 1 . . . . . 339 M CA . 26816 1 337 . 1 1 85 85 MET CB C 13 33.1625 . 1 . . . . . 339 M CB . 26816 1 338 . 1 1 85 85 MET N N 15 119.990 . 1 . . . . . 339 M N . 26816 1 339 . 1 1 86 86 LEU H H 1 8.460 . 1 . . . . . 340 L HN . 26816 1 340 . 1 1 86 86 LEU C C 13 177.323 . 1 . . . . . 340 L CO . 26816 1 341 . 1 1 86 86 LEU CA C 13 55.0895 . 1 . . . . . 340 L CA . 26816 1 342 . 1 1 86 86 LEU CB C 13 42.3865 . 1 . . . . . 340 L CB . 26816 1 343 . 1 1 86 86 LEU N N 15 123.692 . 1 . . . . . 340 L N . 26816 1 344 . 1 1 87 87 ALA H H 1 8.505 . 1 . . . . . 341 A HN . 26816 1 345 . 1 1 87 87 ALA C C 13 177.924 . 1 . . . . . 341 A CO . 26816 1 346 . 1 1 87 87 ALA CA C 13 52.7665 . 1 . . . . . 341 A CA . 26816 1 347 . 1 1 87 87 ALA CB C 13 19.1565 . 1 . . . . . 341 A CB . 26816 1 348 . 1 1 87 87 ALA N N 15 125.407 . 1 . . . . . 341 A N . 26816 1 349 . 1 1 88 88 SER H H 1 8.370 . 1 . . . . . 342 S HN . 26816 1 350 . 1 1 88 88 SER C C 13 174.852 . 1 . . . . . 342 S CO . 26816 1 351 . 1 1 88 88 SER CA C 13 58.4695 . 1 . . . . . 342 S CA . 26816 1 352 . 1 1 88 88 SER CB C 13 63.8555 . 1 . . . . . 342 S CB . 26816 1 353 . 1 1 88 88 SER N N 15 114.989 . 1 . . . . . 342 S N . 26816 1 354 . 1 1 89 89 GLN H H 1 8.493 . 1 . . . . . 343 Q HN . 26816 1 355 . 1 1 89 89 GLN C C 13 176.019 . 1 . . . . . 343 Q CO . 26816 1 356 . 1 1 89 89 GLN CA C 13 55.9965 . 1 . . . . . 343 Q CA . 26816 1 357 . 1 1 89 89 GLN CB C 13 29.5085 . 1 . . . . . 343 Q CB . 26816 1 358 . 1 1 89 89 GLN N N 15 122.191 . 1 . . . . . 343 Q N . 26816 1 359 . 1 1 90 90 GLN H H 1 8.471 . 1 . . . . . 344 Q HN . 26816 1 360 . 1 1 90 90 GLN C C 13 175.816 . 1 . . . . . 344 Q CO . 26816 1 361 . 1 1 90 90 GLN CA C 13 56.0185 . 1 . . . . . 344 Q CA . 26816 1 362 . 1 1 90 90 GLN CB C 13 29.5725 . 1 . . . . . 344 Q CB . 26816 1 363 . 1 1 90 90 GLN N N 15 121.166 . 1 . . . . . 344 Q N . 26816 1 364 . 1 1 91 91 ASN H H 1 8.633 . 1 . . . . . 345 N HN . 26816 1 365 . 1 1 91 91 ASN C C 13 175.307 . 1 . . . . . 345 N CO . 26816 1 366 . 1 1 91 91 ASN CA C 13 53.4245 . 1 . . . . . 345 N CA . 26816 1 367 . 1 1 91 91 ASN N N 15 120.225 . 1 . . . . . 345 N N . 26816 1 368 . 1 1 92 92 GLN H H 1 8.563 . 1 . . . . . 346 Q HN . 26816 1 369 . 1 1 92 92 GLN C C 13 175.96 . 1 . . . . . 346 Q CO . 26816 1 370 . 1 1 92 92 GLN CA C 13 55.9715 . 1 . . . . . 346 Q CA . 26816 1 371 . 1 1 92 92 GLN CB C 13 29.5465 . 1 . . . . . 346 Q CB . 26816 1 372 . 1 1 92 92 GLN N N 15 121.254 . 1 . . . . . 346 Q N . 26816 1 373 . 1 1 93 93 SER H H 1 8.498 . 1 . . . . . 347 S HN . 26816 1 374 . 1 1 93 93 SER C C 13 174.596 . 1 . . . . . 347 S CO . 26816 1 375 . 1 1 93 93 SER CA C 13 58.4635 . 1 . . . . . 347 S CA . 26816 1 376 . 1 1 93 93 SER CB C 13 64.1815 . 1 . . . . . 347 S CB . 26816 1 377 . 1 1 93 93 SER N N 15 117.082 . 1 . . . . . 347 S N . 26816 1 378 . 1 1 94 94 GLY H H 1 8.352 . 1 . . . . . 348 G HN . 26816 1 379 . 1 1 94 94 GLY N N 15 110.457 . 1 . . . . . 348 G N . 26816 1 380 . 1 1 95 95 PRO C C 13 177.247 . 1 . . . . . 349 P CO . 26816 1 381 . 1 1 96 96 SER H H 1 8.621 . 1 . . . . . 350 S HN . 26816 1 382 . 1 1 96 96 SER C C 13 175.122 . 1 . . . . . 350 S CO . 26816 1 383 . 1 1 96 96 SER CA C 13 58.5465 . 1 . . . . . 350 S CA . 26816 1 384 . 1 1 96 96 SER CB C 13 64.1515 . 1 . . . . . 350 S CB . 26816 1 385 . 1 1 96 96 SER N N 15 116.451 . 1 . . . . . 350 S N . 26816 1 386 . 1 1 97 97 GLY H H 1 8.571 . 1 . . . . . 351 G HN . 26816 1 387 . 1 1 97 97 GLY C C 13 173.813 . 1 . . . . . 351 G CO . 26816 1 388 . 1 1 97 97 GLY CA C 13 45.3205 . 1 . . . . . 351 G CA . 26816 1 389 . 1 1 97 97 GLY N N 15 110.784 . 1 . . . . . 351 G N . 26816 1 390 . 1 1 98 98 ASN H H 1 8.445 . 1 . . . . . 352 N HN . 26816 1 391 . 1 1 98 98 ASN C C 13 175.206 . 1 . . . . . 352 N CO . 26816 1 392 . 1 1 98 98 ASN CA C 13 53.1405 . 1 . . . . . 352 N CA . 26816 1 393 . 1 1 98 98 ASN CB C 13 39.0025 . 1 . . . . . 352 N CB . 26816 1 394 . 1 1 98 98 ASN N N 15 118.689 . 1 . . . . . 352 N N . 26816 1 395 . 1 1 99 99 ASN H H 1 8.624 . 1 . . . . . 353 N HN . 26816 1 396 . 1 1 99 99 ASN C C 13 175.457 . 1 . . . . . 353 N CO . 26816 1 397 . 1 1 99 99 ASN CA C 13 53.4655 . 1 . . . . . 353 N CA . 26816 1 398 . 1 1 99 99 ASN CB C 13 38.7525 . 1 . . . . . 353 N CB . 26816 1 399 . 1 1 99 99 ASN N N 15 119.691 . 1 . . . . . 353 N N . 26816 1 400 . 1 1 100 100 GLN H H 1 8.512 . 1 . . . . . 354 Q HN . 26816 1 401 . 1 1 100 100 GLN C C 13 175.886 . 1 . . . . . 354 Q CO . 26816 1 402 . 1 1 100 100 GLN CA C 13 56.1955 . 1 . . . . . 354 Q CA . 26816 1 403 . 1 1 100 100 GLN CB C 13 29.3205 . 1 . . . . . 354 Q CB . 26816 1 404 . 1 1 100 100 GLN N N 15 120.463 . 1 . . . . . 354 Q N . 26816 1 405 . 1 1 101 101 ASN H H 1 8.581 . 1 . . . . . 355 N HN . 26816 1 406 . 1 1 101 101 ASN C C 13 175.339 . 1 . . . . . 355 N CO . 26816 1 407 . 1 1 101 101 ASN CA C 13 53.4655 . 1 . . . . . 355 N CA . 26816 1 408 . 1 1 101 101 ASN CB C 13 38.7525 . 1 . . . . . 355 N CB . 26816 1 409 . 1 1 101 101 ASN N N 15 119.625 . 1 . . . . . 355 N N . 26816 1 410 . 1 1 102 102 GLN H H 1 8.502 . 1 . . . . . 356 Q HN . 26816 1 411 . 1 1 102 102 GLN C C 13 176.462 . 1 . . . . . 356 Q CO . 26816 1 412 . 1 1 102 102 GLN CA C 13 56.3235 . 1 . . . . . 356 Q CA . 26816 1 413 . 1 1 102 102 GLN N N 15 120.524 . 1 . . . . . 356 Q N . 26816 1 414 . 1 1 103 103 GLY H H 1 8.505 . 1 . . . . . 357 G HN . 26816 1 415 . 1 1 103 103 GLY C C 13 173.808 . 1 . . . . . 357 G CO . 26816 1 416 . 1 1 103 103 GLY CA C 13 45.3105 . 1 . . . . . 357 G CA . 26816 1 417 . 1 1 103 103 GLY N N 15 109.485 . 1 . . . . . 357 G N . 26816 1 418 . 1 1 104 104 ASN H H 1 8.442 . 1 . . . . . 358 N HN . 26816 1 419 . 1 1 104 104 ASN C C 13 175.531 . 1 . . . . . 358 N CO . 26816 1 420 . 1 1 104 104 ASN CA C 13 53.2325 . 1 . . . . . 358 N CA . 26816 1 421 . 1 1 104 104 ASN CB C 13 38.8375 . 1 . . . . . 358 N CB . 26816 1 422 . 1 1 104 104 ASN N N 15 118.767 . 1 . . . . . 358 N N . 26816 1 423 . 1 1 105 105 MET H H 1 8.497 . 1 . . . . . 359 M HN . 26816 1 424 . 1 1 105 105 MET C C 13 176.211 . 1 . . . . . 359 M CO . 26816 1 425 . 1 1 105 105 MET CA C 13 55.6355 . 1 . . . . . 359 M CA . 26816 1 426 . 1 1 105 105 MET CB C 13 32.8035 . 1 . . . . . 359 M CB . 26816 1 427 . 1 1 105 105 MET N N 15 120.987 . 1 . . . . . 359 M N . 26816 1 428 . 1 1 106 106 GLN H H 1 8.547 . 1 . . . . . 360 Q HN . 26816 1 429 . 1 1 106 106 GLN C C 13 175.906 . 1 . . . . . 360 Q CO . 26816 1 430 . 1 1 106 106 GLN CA C 13 55.9445 . 1 . . . . . 360 Q CA . 26816 1 431 . 1 1 106 106 GLN CB C 13 29.4835 . 1 . . . . . 360 Q CB . 26816 1 432 . 1 1 106 106 GLN N N 15 121.912 . 1 . . . . . 360 Q N . 26816 1 433 . 1 1 107 107 ARG H H 1 8.556 . 1 . . . . . 361 R HN . 26816 1 434 . 1 1 107 107 ARG C C 13 176.202 . 1 . . . . . 361 R CO . 26816 1 435 . 1 1 107 107 ARG CA C 13 56.1465 . 1 . . . . . 361 R CA . 26816 1 436 . 1 1 107 107 ARG CB C 13 31.0155 . 1 . . . . . 361 R CB . 26816 1 437 . 1 1 107 107 ARG N N 15 123.112 . 1 . . . . . 361 R N . 26816 1 438 . 1 1 108 108 GLU H H 1 8.621 . 1 . . . . . 362 E HN . 26816 1 439 . 1 1 108 108 GLU C C 13 174.161 . 1 . . . . . 362 E CO . 26816 1 440 . 1 1 108 108 GLU N N 15 122.830 . 1 . . . . . 362 E N . 26816 1 441 . 1 1 109 109 PRO C C 13 176.492 . 1 . . . . . 363 P CO . 26816 1 442 . 1 1 110 110 ASN H H 1 8.642 . 1 . . . . . 364 N HN . 26816 1 443 . 1 1 110 110 ASN C C 13 175.398 . 1 . . . . . 364 N CO . 26816 1 444 . 1 1 110 110 ASN CA C 13 53.5545 . 1 . . . . . 364 N CA . 26816 1 445 . 1 1 110 110 ASN CB C 13 38.7655 . 1 . . . . . 364 N CB . 26816 1 446 . 1 1 110 110 ASN N N 15 119.036 . 1 . . . . . 364 N N . 26816 1 447 . 1 1 111 111 GLN H H 1 8.480 . 1 . . . . . 365 Q HN . 26816 1 448 . 1 1 111 111 GLN C C 13 175.456 . 1 . . . . . 365 Q CO . 26816 1 449 . 1 1 111 111 GLN CA C 13 55.8415 . 1 . . . . . 365 Q CA . 26816 1 450 . 1 1 111 111 GLN CB C 13 29.6375 . 1 . . . . . 365 Q CB . 26816 1 451 . 1 1 111 111 GLN N N 15 121.170 . 1 . . . . . 365 Q N . 26816 1 452 . 1 1 112 112 ALA H H 1 8.389 . 1 . . . . . 366 A HN . 26816 1 453 . 1 1 112 112 ALA C C 13 177.395 . 1 . . . . . 366 A CO . 26816 1 454 . 1 1 112 112 ALA CA C 13 52.5075 . 1 . . . . . 366 A CA . 26816 1 455 . 1 1 112 112 ALA CB C 13 19.2045 . 1 . . . . . 366 A CB . 26816 1 456 . 1 1 112 112 ALA N N 15 125.247 . 1 . . . . . 366 A N . 26816 1 457 . 1 1 113 113 PHE H H 1 8.340 . 1 . . . . . 367 F HN . 26816 1 458 . 1 1 113 113 PHE C C 13 176.395 . 1 . . . . . 367 F CO . 26816 1 459 . 1 1 113 113 PHE CA C 13 57.9455 . 1 . . . . . 367 F CA . 26816 1 460 . 1 1 113 113 PHE CB C 13 39.7995 . 1 . . . . . 367 F CB . 26816 1 461 . 1 1 113 113 PHE N N 15 119.937 . 1 . . . . . 367 F N . 26816 1 462 . 1 1 114 114 GLY H H 1 8.428 . 1 . . . . . 368 G HN . 26816 1 463 . 1 1 114 114 GLY C C 13 174.051 . 1 . . . . . 368 G CO . 26816 1 464 . 1 1 114 114 GLY CA C 13 45.3055 . 1 . . . . . 368 G CA . 26816 1 465 . 1 1 114 114 GLY N N 15 110.909 . 1 . . . . . 368 G N . 26816 1 466 . 1 1 115 115 SER H H 1 8.365 . 1 . . . . . 369 S HN . 26816 1 467 . 1 1 115 115 SER C C 13 175.093 . 1 . . . . . 369 S CO . 26816 1 468 . 1 1 115 115 SER CA C 13 58.4815 . 1 . . . . . 369 S CA . 26816 1 469 . 1 1 115 115 SER CB C 13 64.0575 . 1 . . . . . 369 S CB . 26816 1 470 . 1 1 115 115 SER N N 15 115.672 . 1 . . . . . 369 S N . 26816 1 471 . 1 1 116 116 GLY H H 1 8.470 . 1 . . . . . 370 G HN . 26816 1 472 . 1 1 116 116 GLY C C 13 173.793 . 1 . . . . . 370 G CO . 26816 1 473 . 1 1 116 116 GLY CA C 13 45.3975 . 1 . . . . . 370 G CA . 26816 1 474 . 1 1 116 116 GLY N N 15 110.578 . 1 . . . . . 370 G N . 26816 1 475 . 1 1 117 117 ASN H H 1 8.422 . 1 . . . . . 371 N HN . 26816 1 476 . 1 1 117 117 ASN C C 13 175.112 . 1 . . . . . 371 N CO . 26816 1 477 . 1 1 117 117 ASN CA C 13 53.2015 . 1 . . . . . 371 N CA . 26816 1 478 . 1 1 117 117 ASN CB C 13 38.9765 . 1 . . . . . 371 N CB . 26816 1 479 . 1 1 117 117 ASN N N 15 118.778 . 1 . . . . . 371 N N . 26816 1 480 . 1 1 118 118 ASN H H 1 8.596 . 1 . . . . . 372 N HN . 26816 1 481 . 1 1 118 118 ASN C C 13 175.262 . 1 . . . . . 372 N CO . 26816 1 482 . 1 1 118 118 ASN CA C 13 53.2635 . 1 . . . . . 372 N CA . 26816 1 483 . 1 1 118 118 ASN CB C 13 38.9745 . 1 . . . . . 372 N CB . 26816 1 484 . 1 1 118 118 ASN N N 15 119.767 . 1 . . . . . 372 N N . 26816 1 485 . 1 1 119 119 SER H H 1 8.366 . 1 . . . . . 373 S HN . 26816 1 486 . 1 1 119 119 SER C C 13 174.204 . 1 . . . . . 373 S CO . 26816 1 487 . 1 1 119 119 SER CA C 13 58.5935 . 1 . . . . . 373 S CA . 26816 1 488 . 1 1 119 119 SER CB C 13 63.9045 . 1 . . . . . 373 S CB . 26816 1 489 . 1 1 119 119 SER N N 15 116.169 . 1 . . . . . 373 S N . 26816 1 490 . 1 1 120 120 TYR H H 1 8.379 . 1 . . . . . 374 Y HN . 26816 1 491 . 1 1 120 120 TYR C C 13 175.966 . 1 . . . . . 374 Y CO . 26816 1 492 . 1 1 120 120 TYR CA C 13 58.0815 . 1 . . . . . 374 Y CA . 26816 1 493 . 1 1 120 120 TYR CB C 13 38.8515 . 1 . . . . . 374 Y CB . 26816 1 494 . 1 1 120 120 TYR N N 15 122.493 . 1 . . . . . 374 Y N . 26816 1 495 . 1 1 121 121 SER H H 1 8.393 . 1 . . . . . 375 S HN . 26816 1 496 . 1 1 121 121 SER C C 13 174.761 . 1 . . . . . 375 S CO . 26816 1 497 . 1 1 121 121 SER CA C 13 58.2795 . 1 . . . . . 375 S CA . 26816 1 498 . 1 1 121 121 SER CB C 13 64.0105 . 1 . . . . . 375 S CB . 26816 1 499 . 1 1 121 121 SER N N 15 118.406 . 1 . . . . . 375 S N . 26816 1 500 . 1 1 122 122 GLY H H 1 7.881 . 1 . . . . . 376 G HN . 26816 1 501 . 1 1 122 122 GLY C C 13 173.956 . 1 . . . . . 376 G CO . 26816 1 502 . 1 1 122 122 GLY CA C 13 45.3215 . 1 . . . . . 376 G CA . 26816 1 503 . 1 1 122 122 GLY N N 15 110.483 . 1 . . . . . 376 G N . 26816 1 504 . 1 1 123 123 SER H H 1 8.329 . 1 . . . . . 377 S HN . 26816 1 505 . 1 1 123 123 SER C C 13 174.576 . 1 . . . . . 377 S CO . 26816 1 506 . 1 1 123 123 SER CA C 13 58.4075 . 1 . . . . . 377 S CA . 26816 1 507 . 1 1 123 123 SER CB C 13 64.0225 . 1 . . . . . 377 S CB . 26816 1 508 . 1 1 123 123 SER N N 15 115.346 . 1 . . . . . 377 S N . 26816 1 509 . 1 1 124 124 ASN H H 1 8.680 . 1 . . . . . 378 N HN . 26816 1 510 . 1 1 124 124 ASN C C 13 175.416 . 1 . . . . . 378 N CO . 26816 1 511 . 1 1 124 124 ASN CA C 13 53.2525 . 1 . . . . . 378 N CA . 26816 1 512 . 1 1 124 124 ASN CB C 13 38.8895 . 1 . . . . . 378 N CB . 26816 1 513 . 1 1 124 124 ASN N N 15 121.259 . 1 . . . . . 378 N N . 26816 1 514 . 1 1 125 125 SER H H 1 8.424 . 1 . . . . . 379 S HN . 26816 1 515 . 1 1 125 125 SER C C 13 175.04 . 1 . . . . . 379 S CO . 26816 1 516 . 1 1 125 125 SER CA C 13 58.8415 . 1 . . . . . 379 S CA . 26816 1 517 . 1 1 125 125 SER CB C 13 63.9295 . 1 . . . . . 379 S CB . 26816 1 518 . 1 1 125 125 SER N N 15 116.400 . 1 . . . . . 379 S N . 26816 1 519 . 1 1 126 126 GLY H H 1 8.478 . 1 . . . . . 380 G HN . 26816 1 520 . 1 1 126 126 GLY C C 13 173.68 . 1 . . . . . 380 G CO . 26816 1 521 . 1 1 126 126 GLY CA C 13 45.2375 . 1 . . . . . 380 G CA . 26816 1 522 . 1 1 126 126 GLY N N 15 110.909 . 1 . . . . . 380 G N . 26816 1 523 . 1 1 127 127 ALA H H 1 8.114 . 1 . . . . . 381 A HN . 26816 1 524 . 1 1 127 127 ALA C C 13 177.408 . 1 . . . . . 381 A CO . 26816 1 525 . 1 1 127 127 ALA CA C 13 52.3665 . 1 . . . . . 381 A CA . 26816 1 526 . 1 1 127 127 ALA CB C 13 19.4325 . 1 . . . . . 381 A CB . 26816 1 527 . 1 1 127 127 ALA N N 15 123.606 . 1 . . . . . 381 A N . 26816 1 528 . 1 1 128 128 ALA H H 1 8.334 . 1 . . . . . 382 A HN . 26816 1 529 . 1 1 128 128 ALA C C 13 177.625 . 1 . . . . . 382 A CO . 26816 1 530 . 1 1 128 128 ALA CA C 13 52.3855 . 1 . . . . . 382 A CA . 26816 1 531 . 1 1 128 128 ALA CB C 13 18.9995 . 1 . . . . . 382 A CB . 26816 1 532 . 1 1 128 128 ALA N N 15 123.755 . 1 . . . . . 382 A N . 26816 1 533 . 1 1 129 129 ILE H H 1 8.197 . 1 . . . . . 383 I HN . 26816 1 534 . 1 1 129 129 ILE C C 13 176.712 . 1 . . . . . 383 I CO . 26816 1 535 . 1 1 129 129 ILE CA C 13 61.2685 . 1 . . . . . 383 I CA . 26816 1 536 . 1 1 129 129 ILE CB C 13 38.8515 . 1 . . . . . 383 I CB . 26816 1 537 . 1 1 129 129 ILE N N 15 120.454 . 1 . . . . . 383 I N . 26816 1 538 . 1 1 130 130 GLY H H 1 8.428 . 1 . . . . . 384 G HN . 26816 1 539 . 1 1 130 130 GLY C C 13 173.778 . 1 . . . . . 384 G CO . 26816 1 540 . 1 1 130 130 GLY CA C 13 45.1205 . 1 . . . . . 384 G CA . 26816 1 541 . 1 1 130 130 GLY N N 15 112.778 . 1 . . . . . 384 G N . 26816 1 542 . 1 1 131 131 TRP H H 1 8.224 . 1 . . . . . 385 W HN . 26816 1 543 . 1 1 131 131 TRP C C 13 176.795 . 1 . . . . . 385 W CO . 26816 1 544 . 1 1 131 131 TRP CA C 13 57.5455 . 1 . . . . . 385 W CA . 26816 1 545 . 1 1 131 131 TRP CB C 13 29.9645 . 1 . . . . . 385 W CB . 26816 1 546 . 1 1 131 131 TRP N N 15 121.424 . 1 . . . . . 385 W N . 26816 1 547 . 1 1 132 132 GLY H H 1 8.436 . 1 . . . . . 386 G HN . 26816 1 548 . 1 1 132 132 GLY C C 13 174.039 . 1 . . . . . 386 G CO . 26816 1 549 . 1 1 132 132 GLY CA C 13 45.2905 . 1 . . . . . 386 G CA . 26816 1 550 . 1 1 132 132 GLY N N 15 110.885 . 1 . . . . . 386 G N . 26816 1 551 . 1 1 133 133 SER H H 1 8.285 . 1 . . . . . 387 S HN . 26816 1 552 . 1 1 133 133 SER C C 13 174.512 . 1 . . . . . 387 S CO . 26816 1 553 . 1 1 133 133 SER CA C 13 58.3175 . 1 . . . . . 387 S CA . 26816 1 554 . 1 1 133 133 SER CB C 13 64.1235 . 1 . . . . . 387 S CB . 26816 1 555 . 1 1 133 133 SER N N 15 115.857 . 1 . . . . . 387 S N . 26816 1 556 . 1 1 134 134 ALA H H 1 8.529 . 1 . . . . . 388 A HN . 26816 1 557 . 1 1 134 134 ALA C C 13 177.807 . 1 . . . . . 388 A CO . 26816 1 558 . 1 1 134 134 ALA CA C 13 52.7025 . 1 . . . . . 388 A CA . 26816 1 559 . 1 1 134 134 ALA CB C 13 19.1905 . 1 . . . . . 388 A CB . 26816 1 560 . 1 1 134 134 ALA N N 15 126.131 . 1 . . . . . 388 A N . 26816 1 561 . 1 1 135 135 SER H H 1 8.366 . 1 . . . . . 389 S HN . 26816 1 562 . 1 1 135 135 SER C C 13 174.503 . 1 . . . . . 389 S CO . 26816 1 563 . 1 1 135 135 SER CA C 13 58.4115 . 1 . . . . . 389 S CA . 26816 1 564 . 1 1 135 135 SER CB C 13 63.9015 . 1 . . . . . 389 S CB . 26816 1 565 . 1 1 135 135 SER N N 15 114.896 . 1 . . . . . 389 S N . 26816 1 566 . 1 1 136 136 ASN H H 1 8.509 . 1 . . . . . 390 N HN . 26816 1 567 . 1 1 136 136 ASN C C 13 175.055 . 1 . . . . . 390 N CO . 26816 1 568 . 1 1 136 136 ASN CA C 13 53.1015 . 1 . . . . . 390 N CA . 26816 1 569 . 1 1 136 136 ASN CB C 13 38.8995 . 1 . . . . . 390 N CB . 26816 1 570 . 1 1 136 136 ASN N N 15 121.054 . 1 . . . . . 390 N N . 26816 1 571 . 1 1 137 137 ALA H H 1 8.329 . 1 . . . . . 391 A HN . 26816 1 572 . 1 1 137 137 ALA C C 13 178.098 . 1 . . . . . 391 A CO . 26816 1 573 . 1 1 137 137 ALA CA C 13 52.9445 . 1 . . . . . 391 A CA . 26816 1 574 . 1 1 137 137 ALA CB C 13 19.1865 . 1 . . . . . 391 A CB . 26816 1 575 . 1 1 137 137 ALA N N 15 124.301 . 1 . . . . . 391 A N . 26816 1 576 . 1 1 138 138 GLY H H 1 8.406 . 1 . . . . . 392 G HN . 26816 1 577 . 1 1 138 138 GLY C C 13 174.314 . 1 . . . . . 392 G CO . 26816 1 578 . 1 1 138 138 GLY CA C 13 45.2885 . 1 . . . . . 392 G CA . 26816 1 579 . 1 1 138 138 GLY N N 15 108.055 . 1 . . . . . 392 G N . 26816 1 580 . 1 1 139 139 SER H H 1 8.333 . 1 . . . . . 393 S HN . 26816 1 581 . 1 1 139 139 SER C C 13 175.202 . 1 . . . . . 393 S CO . 26816 1 582 . 1 1 139 139 SER CA C 13 58.6115 . 1 . . . . . 393 S CA . 26816 1 583 . 1 1 139 139 SER CB C 13 64.0655 . 1 . . . . . 393 S CB . 26816 1 584 . 1 1 139 139 SER N N 15 115.661 . 1 . . . . . 393 S N . 26816 1 585 . 1 1 140 140 GLY H H 1 8.587 . 1 . . . . . 394 G HN . 26816 1 586 . 1 1 140 140 GLY C C 13 174.236 . 1 . . . . . 394 G CO . 26816 1 587 . 1 1 140 140 GLY CA C 13 45.3055 . 1 . . . . . 394 G CA . 26816 1 588 . 1 1 140 140 GLY N N 15 111.115 . 1 . . . . . 394 G N . 26816 1 589 . 1 1 141 141 SER H H 1 8.371 . 1 . . . . . 395 S HN . 26816 1 590 . 1 1 141 141 SER C C 13 175.057 . 1 . . . . . 395 S CO . 26816 1 591 . 1 1 141 141 SER CA C 13 58.5985 . 1 . . . . . 395 S CA . 26816 1 592 . 1 1 141 141 SER CB C 13 64.0915 . 1 . . . . . 395 S CB . 26816 1 593 . 1 1 141 141 SER N N 15 115.674 . 1 . . . . . 395 S N . 26816 1 594 . 1 1 142 142 GLY H H 1 8.519 . 1 . . . . . 396 G HN . 26816 1 595 . 1 1 142 142 GLY C C 13 173.742 . 1 . . . . . 396 G CO . 26816 1 596 . 1 1 142 142 GLY CA C 13 45.1725 . 1 . . . . . 396 G CA . 26816 1 597 . 1 1 142 142 GLY N N 15 110.729 . 1 . . . . . 396 G N . 26816 1 598 . 1 1 143 143 PHE H H 1 8.294 . 1 . . . . . 397 F HN . 26816 1 599 . 1 1 143 143 PHE C C 13 175.771 . 1 . . . . . 397 F CO . 26816 1 600 . 1 1 143 143 PHE CA C 13 58.0285 . 1 . . . . . 397 F CA . 26816 1 601 . 1 1 143 143 PHE CB C 13 39.7565 . 1 . . . . . 397 F CB . 26816 1 602 . 1 1 143 143 PHE N N 15 120.580 . 1 . . . . . 397 F N . 26816 1 603 . 1 1 144 144 ASN H H 1 8.608 . 1 . . . . . 398 N HN . 26816 1 604 . 1 1 144 144 ASN C C 13 175.359 . 1 . . . . . 398 N CO . 26816 1 605 . 1 1 144 144 ASN CA C 13 52.9415 . 1 . . . . . 398 N CA . 26816 1 606 . 1 1 144 144 ASN CB C 13 38.9145 . 1 . . . . . 398 N CB . 26816 1 607 . 1 1 144 144 ASN N N 15 122.180 . 1 . . . . . 398 N N . 26816 1 608 . 1 1 145 145 GLY H H 1 7.798 . 1 . . . . . 399 G HN . 26816 1 609 . 1 1 145 145 GLY C C 13 174.287 . 1 . . . . . 399 G CO . 26816 1 610 . 1 1 145 145 GLY CA C 13 45.5245 . 1 . . . . . 399 G CA . 26816 1 611 . 1 1 145 145 GLY N N 15 108.715 . 1 . . . . . 399 G N . 26816 1 612 . 1 1 146 146 GLY H H 1 8.189 . 1 . . . . . 400 G HN . 26816 1 613 . 1 1 146 146 GLY C C 13 173.926 . 1 . . . . . 400 G CO . 26816 1 614 . 1 1 146 146 GLY CA C 13 45.0705 . 1 . . . . . 400 G CA . 26816 1 615 . 1 1 146 146 GLY N N 15 108.323 . 1 . . . . . 400 G N . 26816 1 616 . 1 1 147 147 PHE H H 1 8.303 . 1 . . . . . 401 F HN . 26816 1 617 . 1 1 147 147 PHE C C 13 176.484 . 1 . . . . . 401 F CO . 26816 1 618 . 1 1 147 147 PHE CA C 13 58.1235 . 1 . . . . . 401 F CA . 26816 1 619 . 1 1 147 147 PHE CB C 13 39.7435 . 1 . . . . . 401 F CB . 26816 1 620 . 1 1 147 147 PHE N N 15 120.150 . 1 . . . . . 401 F N . 26816 1 621 . 1 1 148 148 GLY H H 1 8.502 . 1 . . . . . 402 G HN . 26816 1 622 . 1 1 148 148 GLY C C 13 174.049 . 1 . . . . . 402 G CO . 26816 1 623 . 1 1 148 148 GLY CA C 13 45.2955 . 1 . . . . . 402 G CA . 26816 1 624 . 1 1 148 148 GLY N N 15 110.847 . 1 . . . . . 402 G N . 26816 1 625 . 1 1 149 149 SER H H 1 8.306 . 1 . . . . . 403 S HN . 26816 1 626 . 1 1 149 149 SER C C 13 174.962 . 1 . . . . . 403 S CO . 26816 1 627 . 1 1 149 149 SER CA C 13 58.3265 . 1 . . . . . 403 S CA . 26816 1 628 . 1 1 149 149 SER CB C 13 64.1515 . 1 . . . . . 403 S CB . 26816 1 629 . 1 1 149 149 SER N N 15 115.686 . 1 . . . . . 403 S N . 26816 1 630 . 1 1 150 150 SER H H 1 8.596 . 1 . . . . . 404 S HN . 26816 1 631 . 1 1 150 150 SER C C 13 174.837 . 1 . . . . . 404 S CO . 26816 1 632 . 1 1 150 150 SER CA C 13 58.6805 . 1 . . . . . 404 S CA . 26816 1 633 . 1 1 150 150 SER CB C 13 63.8035 . 1 . . . . . 404 S CB . 26816 1 634 . 1 1 150 150 SER N N 15 118.213 . 1 . . . . . 404 S N . 26816 1 635 . 1 1 151 151 MET H H 1 8.476 . 1 . . . . . 405 M HN . 26816 1 636 . 1 1 151 151 MET C C 13 176.076 . 1 . . . . . 405 M CO . 26816 1 637 . 1 1 151 151 MET CA C 13 55.7945 . 1 . . . . . 405 M CA . 26816 1 638 . 1 1 151 151 MET CB C 13 32.6955 . 1 . . . . . 405 M CB . 26816 1 639 . 1 1 151 151 MET N N 15 121.995 . 1 . . . . . 405 M N . 26816 1 640 . 1 1 152 152 ASP H H 1 8.499 . 1 . . . . . 406 D HN . 26816 1 641 . 1 1 152 152 ASP C C 13 175.146 . 1 . . . . . 406 D CO . 26816 1 642 . 1 1 152 152 ASP CA C 13 52.9265 . 1 . . . . . 406 D CA . 26816 1 643 . 1 1 152 152 ASP CB C 13 38.1555 . 1 . . . . . 406 D CB . 26816 1 644 . 1 1 152 152 ASP N N 15 119.924 . 1 . . . . . 406 D N . 26816 1 645 . 1 1 153 153 SER H H 1 8.369 . 1 . . . . . 407 S HN . 26816 1 646 . 1 1 153 153 SER C C 13 174.655 . 1 . . . . . 407 S CO . 26816 1 647 . 1 1 153 153 SER CA C 13 58.5165 . 1 . . . . . 407 S CA . 26816 1 648 . 1 1 153 153 SER CB C 13 63.9355 . 1 . . . . . 407 S CB . 26816 1 649 . 1 1 153 153 SER N N 15 116.807 . 1 . . . . . 407 S N . 26816 1 650 . 1 1 154 154 LYS H H 1 8.461 . 1 . . . . . 408 K HN . 26816 1 651 . 1 1 154 154 LYS C C 13 176.739 . 1 . . . . . 408 K CO . 26816 1 652 . 1 1 154 154 LYS CA C 13 56.5855 . 1 . . . . . 408 K CA . 26816 1 653 . 1 1 154 154 LYS CB C 13 33.1955 . 1 . . . . . 408 K CB . 26816 1 654 . 1 1 154 154 LYS N N 15 123.296 . 1 . . . . . 408 K N . 26816 1 655 . 1 1 155 155 SER H H 1 8.433 . 1 . . . . . 409 S HN . 26816 1 656 . 1 1 155 155 SER C C 13 174.713 . 1 . . . . . 409 S CO . 26816 1 657 . 1 1 155 155 SER CA C 13 58.3095 . 1 . . . . . 409 S CA . 26816 1 658 . 1 1 155 155 SER CB C 13 63.9855 . 1 . . . . . 409 S CB . 26816 1 659 . 1 1 155 155 SER N N 15 116.898 . 1 . . . . . 409 S N . 26816 1 660 . 1 1 156 156 SER H H 1 8.470 . 1 . . . . . 410 S HN . 26816 1 661 . 1 1 156 156 SER C C 13 174.882 . 1 . . . . . 410 S CO . 26816 1 662 . 1 1 156 156 SER CA C 13 58.6255 . 1 . . . . . 410 S CA . 26816 1 663 . 1 1 156 156 SER CB C 13 63.9995 . 1 . . . . . 410 S CB . 26816 1 664 . 1 1 156 156 SER N N 15 117.913 . 1 . . . . . 410 S N . 26816 1 665 . 1 1 157 157 GLY H H 1 8.407 . 1 . . . . . 411 G HN . 26816 1 666 . 1 1 157 157 GLY C C 13 173.797 . 1 . . . . . 411 G CO . 26816 1 667 . 1 1 157 157 GLY CA C 13 45.3075 . 1 . . . . . 411 G CA . 26816 1 668 . 1 1 157 157 GLY N N 15 110.437 . 1 . . . . . 411 G N . 26816 1 669 . 1 1 158 158 TRP H H 1 8.187 . 1 . . . . . 412 W HN . 26816 1 670 . 1 1 158 158 TRP C C 13 176.772 . 1 . . . . . 412 W CO . 26816 1 671 . 1 1 158 158 TRP CA C 13 57.6175 . 1 . . . . . 412 W CA . 26816 1 672 . 1 1 158 158 TRP CB C 13 29.7855 . 1 . . . . . 412 W CB . 26816 1 673 . 1 1 158 158 TRP N N 15 121.236 . 1 . . . . . 412 W N . 26816 1 674 . 1 1 159 159 GLY H H 1 8.406 . 1 . . . . . 413 G HN . 26816 1 675 . 1 1 159 159 GLY C C 13 173.779 . 1 . . . . . 413 G CO . 26816 1 676 . 1 1 159 159 GLY CA C 13 45.2925 . 1 . . . . . 413 G CA . 26816 1 677 . 1 1 159 159 GLY N N 15 111.038 . 1 . . . . . 413 G N . 26816 1 678 . 1 1 160 160 MET H H 1 8.143 . 1 . . . . . 414 M HN . 26816 1 679 . 1 1 160 160 MET C C 13 178.578 . 1 . . . . . 414 M CO . 26816 1 680 . 1 1 160 160 MET CA C 13 54.5715 . 1 . . . . . 414 M CA . 26816 1 681 . 1 1 160 160 MET N N 15 120.033 . 1 . . . . . 414 M N . 26816 1 stop_ save_