data_26543 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26543 _Entry.Title ; Type III Secretion Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-20 _Entry.Accession_date 2015-03-20 _Entry.Last_release_date 2015-05-22 _Entry.Original_release_date 2015-05-22 _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 Ryan Notti . Q. . . 26543 2 Shibani Bhattacharya . . . . 26543 3 Charles Stebbins . E. . . 26543 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26543 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 26543 '15N chemical shifts' 150 26543 '1H chemical shifts' 150 26543 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-13 2015-03-20 update BMRB 'update entry citation' 26543 1 . . 2015-05-22 2015-03-20 original author 'original release' 26543 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26546 SpaO-OrgB 26543 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26543 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25994170 _Citation.Full_citation . _Citation.Title ; A common assembly module in injectisome and flagellar type III secretion sorting platforms ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 7125 _Citation.Page_last 7125 _Citation.Year 2015 _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 Ryan Notti . Q. . . 26543 1 2 Shibani Bhattacharya . . . . 26543 1 3 Mirjana Lilic . Q. . . 26543 1 4 Charles Stebbins . E. . . 26543 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26543 _Assembly.ID 1 _Assembly.Name SpaO _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 SpaO 1 $SpaO A . yes native no no . . . 26543 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SpaO _Entity.Sf_category entity _Entity.Sf_framecode SpaO _Entity.Entry_ID 26543 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SpaO _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 ; GPVDVGGGRPKMLRWPLRFV IGSSDTQRSLLGRIGIGDVL LIRTSRAEVYCYAKKLGHFN RVEGGIIVETLDIQHIEEEN NTTETAETLPGLNQLPVKLE FVLYRKNVTLAELEAMGQQQ LLSLPTNAELNVEIMANGVL LGNGELVQMNDTLGVEIHEW LS ; _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 162 _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 1 136 GLY . 26543 1 2 137 PRO . 26543 1 3 138 VAL . 26543 1 4 139 ASP . 26543 1 5 140 VAL . 26543 1 6 141 GLY . 26543 1 7 142 GLY . 26543 1 8 143 GLY . 26543 1 9 144 ARG . 26543 1 10 145 PRO . 26543 1 11 146 LYS . 26543 1 12 147 MET . 26543 1 13 148 LEU . 26543 1 14 149 ARG . 26543 1 15 150 TRP . 26543 1 16 151 PRO . 26543 1 17 152 LEU . 26543 1 18 153 ARG . 26543 1 19 154 PHE . 26543 1 20 155 VAL . 26543 1 21 156 ILE . 26543 1 22 157 GLY . 26543 1 23 158 SER . 26543 1 24 159 SER . 26543 1 25 160 ASP . 26543 1 26 161 THR . 26543 1 27 162 GLN . 26543 1 28 163 ARG . 26543 1 29 164 SER . 26543 1 30 165 LEU . 26543 1 31 166 LEU . 26543 1 32 167 GLY . 26543 1 33 168 ARG . 26543 1 34 169 ILE . 26543 1 35 170 GLY . 26543 1 36 171 ILE . 26543 1 37 172 GLY . 26543 1 38 173 ASP . 26543 1 39 174 VAL . 26543 1 40 175 LEU . 26543 1 41 176 LEU . 26543 1 42 177 ILE . 26543 1 43 178 ARG . 26543 1 44 179 THR . 26543 1 45 180 SER . 26543 1 46 181 ARG . 26543 1 47 182 ALA . 26543 1 48 183 GLU . 26543 1 49 184 VAL . 26543 1 50 185 TYR . 26543 1 51 186 CYS . 26543 1 52 187 TYR . 26543 1 53 188 ALA . 26543 1 54 189 LYS . 26543 1 55 190 LYS . 26543 1 56 191 LEU . 26543 1 57 192 GLY . 26543 1 58 193 HIS . 26543 1 59 194 PHE . 26543 1 60 195 ASN . 26543 1 61 196 ARG . 26543 1 62 197 VAL . 26543 1 63 198 GLU . 26543 1 64 199 GLY . 26543 1 65 200 GLY . 26543 1 66 201 ILE . 26543 1 67 202 ILE . 26543 1 68 203 VAL . 26543 1 69 204 GLU . 26543 1 70 205 THR . 26543 1 71 206 LEU . 26543 1 72 207 ASP . 26543 1 73 208 ILE . 26543 1 74 209 GLN . 26543 1 75 210 HIS . 26543 1 76 211 ILE . 26543 1 77 212 GLU . 26543 1 78 213 GLU . 26543 1 79 214 GLU . 26543 1 80 215 ASN . 26543 1 81 216 ASN . 26543 1 82 217 THR . 26543 1 83 218 THR . 26543 1 84 219 GLU . 26543 1 85 220 THR . 26543 1 86 221 ALA . 26543 1 87 222 GLU . 26543 1 88 223 THR . 26543 1 89 224 LEU . 26543 1 90 225 PRO . 26543 1 91 226 GLY . 26543 1 92 227 LEU . 26543 1 93 228 ASN . 26543 1 94 229 GLN . 26543 1 95 230 LEU . 26543 1 96 231 PRO . 26543 1 97 232 VAL . 26543 1 98 233 LYS . 26543 1 99 234 LEU . 26543 1 100 235 GLU . 26543 1 101 236 PHE . 26543 1 102 237 VAL . 26543 1 103 238 LEU . 26543 1 104 239 TYR . 26543 1 105 240 ARG . 26543 1 106 241 LYS . 26543 1 107 242 ASN . 26543 1 108 243 VAL . 26543 1 109 244 THR . 26543 1 110 245 LEU . 26543 1 111 246 ALA . 26543 1 112 247 GLU . 26543 1 113 248 LEU . 26543 1 114 249 GLU . 26543 1 115 250 ALA . 26543 1 116 251 MET . 26543 1 117 252 GLY . 26543 1 118 253 GLN . 26543 1 119 254 GLN . 26543 1 120 255 GLN . 26543 1 121 256 LEU . 26543 1 122 257 LEU . 26543 1 123 258 SER . 26543 1 124 259 LEU . 26543 1 125 260 PRO . 26543 1 126 261 THR . 26543 1 127 262 ASN . 26543 1 128 263 ALA . 26543 1 129 264 GLU . 26543 1 130 265 LEU . 26543 1 131 266 ASN . 26543 1 132 267 VAL . 26543 1 133 268 GLU . 26543 1 134 269 ILE . 26543 1 135 270 MET . 26543 1 136 271 ALA . 26543 1 137 272 ASN . 26543 1 138 273 GLY . 26543 1 139 274 VAL . 26543 1 140 275 LEU . 26543 1 141 276 LEU . 26543 1 142 277 GLY . 26543 1 143 278 ASN . 26543 1 144 279 GLY . 26543 1 145 280 GLU . 26543 1 146 281 LEU . 26543 1 147 282 VAL . 26543 1 148 283 GLN . 26543 1 149 284 MET . 26543 1 150 285 ASN . 26543 1 151 286 ASP . 26543 1 152 287 THR . 26543 1 153 288 LEU . 26543 1 154 289 GLY . 26543 1 155 290 VAL . 26543 1 156 291 GLU . 26543 1 157 292 ILE . 26543 1 158 293 HIS . 26543 1 159 294 GLU . 26543 1 160 295 TRP . 26543 1 161 296 LEU . 26543 1 162 297 SER . 26543 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 26543 1 . PRO 2 2 26543 1 . VAL 3 3 26543 1 . ASP 4 4 26543 1 . VAL 5 5 26543 1 . GLY 6 6 26543 1 . GLY 7 7 26543 1 . GLY 8 8 26543 1 . ARG 9 9 26543 1 . PRO 10 10 26543 1 . LYS 11 11 26543 1 . MET 12 12 26543 1 . LEU 13 13 26543 1 . ARG 14 14 26543 1 . TRP 15 15 26543 1 . PRO 16 16 26543 1 . LEU 17 17 26543 1 . ARG 18 18 26543 1 . PHE 19 19 26543 1 . VAL 20 20 26543 1 . ILE 21 21 26543 1 . GLY 22 22 26543 1 . SER 23 23 26543 1 . SER 24 24 26543 1 . ASP 25 25 26543 1 . THR 26 26 26543 1 . GLN 27 27 26543 1 . ARG 28 28 26543 1 . SER 29 29 26543 1 . LEU 30 30 26543 1 . LEU 31 31 26543 1 . GLY 32 32 26543 1 . ARG 33 33 26543 1 . ILE 34 34 26543 1 . GLY 35 35 26543 1 . ILE 36 36 26543 1 . GLY 37 37 26543 1 . ASP 38 38 26543 1 . VAL 39 39 26543 1 . LEU 40 40 26543 1 . LEU 41 41 26543 1 . ILE 42 42 26543 1 . ARG 43 43 26543 1 . THR 44 44 26543 1 . SER 45 45 26543 1 . ARG 46 46 26543 1 . ALA 47 47 26543 1 . GLU 48 48 26543 1 . VAL 49 49 26543 1 . TYR 50 50 26543 1 . CYS 51 51 26543 1 . TYR 52 52 26543 1 . ALA 53 53 26543 1 . LYS 54 54 26543 1 . LYS 55 55 26543 1 . LEU 56 56 26543 1 . GLY 57 57 26543 1 . HIS 58 58 26543 1 . PHE 59 59 26543 1 . ASN 60 60 26543 1 . ARG 61 61 26543 1 . VAL 62 62 26543 1 . GLU 63 63 26543 1 . GLY 64 64 26543 1 . GLY 65 65 26543 1 . ILE 66 66 26543 1 . ILE 67 67 26543 1 . VAL 68 68 26543 1 . GLU 69 69 26543 1 . THR 70 70 26543 1 . LEU 71 71 26543 1 . ASP 72 72 26543 1 . ILE 73 73 26543 1 . GLN 74 74 26543 1 . HIS 75 75 26543 1 . ILE 76 76 26543 1 . GLU 77 77 26543 1 . GLU 78 78 26543 1 . GLU 79 79 26543 1 . ASN 80 80 26543 1 . ASN 81 81 26543 1 . THR 82 82 26543 1 . THR 83 83 26543 1 . GLU 84 84 26543 1 . THR 85 85 26543 1 . ALA 86 86 26543 1 . GLU 87 87 26543 1 . THR 88 88 26543 1 . LEU 89 89 26543 1 . PRO 90 90 26543 1 . GLY 91 91 26543 1 . LEU 92 92 26543 1 . ASN 93 93 26543 1 . GLN 94 94 26543 1 . LEU 95 95 26543 1 . PRO 96 96 26543 1 . VAL 97 97 26543 1 . LYS 98 98 26543 1 . LEU 99 99 26543 1 . GLU 100 100 26543 1 . PHE 101 101 26543 1 . VAL 102 102 26543 1 . LEU 103 103 26543 1 . TYR 104 104 26543 1 . ARG 105 105 26543 1 . LYS 106 106 26543 1 . ASN 107 107 26543 1 . VAL 108 108 26543 1 . THR 109 109 26543 1 . LEU 110 110 26543 1 . ALA 111 111 26543 1 . GLU 112 112 26543 1 . LEU 113 113 26543 1 . GLU 114 114 26543 1 . ALA 115 115 26543 1 . MET 116 116 26543 1 . GLY 117 117 26543 1 . GLN 118 118 26543 1 . GLN 119 119 26543 1 . GLN 120 120 26543 1 . LEU 121 121 26543 1 . LEU 122 122 26543 1 . SER 123 123 26543 1 . LEU 124 124 26543 1 . PRO 125 125 26543 1 . THR 126 126 26543 1 . ASN 127 127 26543 1 . ALA 128 128 26543 1 . GLU 129 129 26543 1 . LEU 130 130 26543 1 . ASN 131 131 26543 1 . VAL 132 132 26543 1 . GLU 133 133 26543 1 . ILE 134 134 26543 1 . MET 135 135 26543 1 . ALA 136 136 26543 1 . ASN 137 137 26543 1 . GLY 138 138 26543 1 . VAL 139 139 26543 1 . LEU 140 140 26543 1 . LEU 141 141 26543 1 . GLY 142 142 26543 1 . ASN 143 143 26543 1 . GLY 144 144 26543 1 . GLU 145 145 26543 1 . LEU 146 146 26543 1 . VAL 147 147 26543 1 . GLN 148 148 26543 1 . MET 149 149 26543 1 . ASN 150 150 26543 1 . ASP 151 151 26543 1 . THR 152 152 26543 1 . LEU 153 153 26543 1 . GLY 154 154 26543 1 . VAL 155 155 26543 1 . GLU 156 156 26543 1 . ILE 157 157 26543 1 . HIS 158 158 26543 1 . GLU 159 159 26543 1 . TRP 160 160 26543 1 . LEU 161 161 26543 1 . SER 162 162 26543 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 26543 _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 $SpaO . 28901 organism . 'Salmonella enterica (serovar typhimurium)' 'Salmonella enterica' . . Bacteria . Salmonella enterica . . . . . . . . . . . . . 26543 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 26543 _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 $SpaO . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCDFduet . . . 26543 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26543 _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 SpaO '[U-13C; U-15N; U-2H]' . . 1 $SpaO . . 0.3 . . mM . . . . 26543 1 2 'Sodium Citrate' 'natural abundance' . . . . . . 10 . . mM . . . . 26543 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26543 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26543 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 26543 _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 pH 5.6 . pH 26543 1 pressure 1 . atm 26543 1 temperature 293 . K 26543 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26543 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26543 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26543 1 processing 26543 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26543 _Software.ID 2 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26543 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26543 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 26543 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 26543 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 26543 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26543 _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 1 900 Bruker Avance . 900 . . . 26543 1 2 800 Bruker Avance . 800 . . . 26543 1 3 600 Bruker Avance . 600 . . . 26543 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 26543 _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 15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $900 . . . . . . . . . . . . . . . . 26543 1 2 '3D trHNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $900 . . . . . . . . . . . . . . . . 26543 1 3 '3D trHN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 1 $900 . . . . . . . . . . . . . . . . 26543 1 4 '3D trHNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 3 $600 . . . . . . . . . . . . . . . . 26543 1 5 '3D trHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 3 $600 . . . . . . . . . . . . . . . . 26543 1 6 '3D trHN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 3 $600 . . . . . . . . . . . . . . . . 26543 1 7 '3D trHN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_condition_1 . . . 3 $600 . . . . . . . . . . . . . . . . 26543 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 26543 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H DSS Direct 1.000000; C13 DSS Indirect 0.25144953; N15 DSS Indirect 0.101329118' 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 . . . . . 26543 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 26543 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26543 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 26543 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $DSS _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 15N TROSY' . . . 26543 1 2 '3D trHNCACB' . . . 26543 1 3 '3D trHN(CO)CACB' . . . 26543 1 4 '3D trHNCO' . . . 26543 1 5 '3D trHNCA' . . . 26543 1 6 '3D trHN(CO)CA' . . . 26543 1 7 '3D trHN(CA)CO' . . . 26543 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO C C 13 176.912 0.50 . 1 . . . . 137 PRO C . 26543 1 2 . 1 1 2 2 PRO CA C 13 62.625 0.50 . 1 . . . . 137 PRO CA . 26543 1 3 . 1 1 2 2 PRO CB C 13 31.136 0.50 . 1 . . . . 137 PRO CB . 26543 1 4 . 1 1 3 3 VAL H H 1 8.163 0.05 . 1 . . . . 138 VAL H . 26543 1 5 . 1 1 3 3 VAL C C 13 175.752 0.50 . 1 . . . . 138 VAL C . 26543 1 6 . 1 1 3 3 VAL CA C 13 61.660 0.50 . 1 . . . . 138 VAL CA . 26543 1 7 . 1 1 3 3 VAL CB C 13 31.648 0.50 . 1 . . . . 138 VAL CB . 26543 1 8 . 1 1 3 3 VAL N N 15 120.123 0.10 . 1 . . . . 138 VAL N . 26543 1 9 . 1 1 4 4 ASP H H 1 8.245 0.05 . 1 . . . . 139 ASP H . 26543 1 10 . 1 1 4 4 ASP C C 13 176.363 0.50 . 1 . . . . 139 ASP C . 26543 1 11 . 1 1 4 4 ASP CA C 13 53.528 0.50 . 1 . . . . 139 ASP CA . 26543 1 12 . 1 1 4 4 ASP CB C 13 40.529 0.50 . 1 . . . . 139 ASP CB . 26543 1 13 . 1 1 4 4 ASP N N 15 124.530 0.10 . 1 . . . . 139 ASP N . 26543 1 14 . 1 1 5 5 VAL H H 1 8.081 0.05 . 1 . . . . 140 VAL H . 26543 1 15 . 1 1 5 5 VAL C C 13 176.998 0.50 . 1 . . . . 140 VAL C . 26543 1 16 . 1 1 5 5 VAL CA C 13 61.895 0.50 . 1 . . . . 140 VAL CA . 26543 1 17 . 1 1 5 5 VAL CB C 13 31.250 0.50 . 1 . . . . 140 VAL CB . 26543 1 18 . 1 1 5 5 VAL N N 15 121.092 0.10 . 1 . . . . 140 VAL N . 26543 1 19 . 1 1 6 6 GLY H H 1 8.409 0.05 . 1 . . . . 141 GLY H . 26543 1 20 . 1 1 6 6 GLY C C 13 174.957 0.50 . 1 . . . . 141 GLY C . 26543 1 21 . 1 1 6 6 GLY CA C 13 44.875 0.50 . 1 . . . . 141 GLY CA . 26543 1 22 . 1 1 6 6 GLY N N 15 112.404 0.10 . 1 . . . . 141 GLY N . 26543 1 23 . 1 1 7 7 GLY H H 1 8.177 0.05 . 1 . . . . 142 GLY H . 26543 1 24 . 1 1 7 7 GLY C C 13 174.774 0.50 . 1 . . . . 142 GLY C . 26543 1 25 . 1 1 7 7 GLY CA C 13 44.770 0.50 . 1 . . . . 142 GLY CA . 26543 1 26 . 1 1 7 7 GLY N N 15 109.528 0.10 . 1 . . . . 142 GLY N . 26543 1 27 . 1 1 8 8 GLY H H 1 8.204 0.05 . 1 . . . . 143 GLY H . 26543 1 28 . 1 1 8 8 GLY C C 13 173.772 0.50 . 1 . . . . 143 GLY C . 26543 1 29 . 1 1 8 8 GLY CA C 13 44.614 0.50 . 1 . . . . 143 GLY CA . 26543 1 30 . 1 1 8 8 GLY N N 15 109.341 0.10 . 1 . . . . 143 GLY N . 26543 1 31 . 1 1 9 9 ARG H H 1 8.040 0.05 . 1 . . . . 144 ARG H . 26543 1 32 . 1 1 9 9 ARG C C 13 174.334 0.50 . 1 . . . . 144 ARG C . 26543 1 33 . 1 1 9 9 ARG CA C 13 53.528 0.50 . 1 . . . . 144 ARG CA . 26543 1 34 . 1 1 9 9 ARG CB C 13 28.916 0.50 . 1 . . . . 144 ARG CB . 26543 1 35 . 1 1 9 9 ARG N N 15 122.186 0.10 . 1 . . . . 144 ARG N . 26543 1 36 . 1 1 10 10 PRO C C 13 176.851 0.50 . 1 . . . . 145 PRO C . 26543 1 37 . 1 1 10 10 PRO CA C 13 62.625 0.50 . 1 . . . . 145 PRO CA . 26543 1 38 . 1 1 10 10 PRO CB C 13 31.212 0.50 . 1 . . . . 145 PRO CB . 26543 1 39 . 1 1 11 11 LYS H H 1 8.321 0.05 . 1 . . . . 146 LYS H . 26543 1 40 . 1 1 11 11 LYS C C 13 176.619 0.50 . 1 . . . . 146 LYS C . 26543 1 41 . 1 1 11 11 LYS CA C 13 55.874 0.50 . 1 . . . . 146 LYS CA . 26543 1 42 . 1 1 11 11 LYS CB C 13 31.688 0.50 . 1 . . . . 146 LYS CB . 26543 1 43 . 1 1 11 11 LYS N N 15 122.222 0.10 . 1 . . . . 146 LYS N . 26543 1 44 . 1 1 12 12 MET H H 1 8.204 0.05 . 1 . . . . 147 MET H . 26543 1 45 . 1 1 12 12 MET C C 13 175.361 0.50 . 1 . . . . 147 MET C . 26543 1 46 . 1 1 12 12 MET CA C 13 54.519 0.50 . 1 . . . . 147 MET CA . 26543 1 47 . 1 1 12 12 MET N N 15 122.186 0.10 . 1 . . . . 147 MET N . 26543 1 48 . 1 1 13 13 LEU H H 1 7.999 0.05 . 1 . . . . 148 LEU H . 26543 1 49 . 1 1 13 13 LEU C C 13 176.399 0.50 . 1 . . . . 148 LEU C . 26543 1 50 . 1 1 13 13 LEU CA C 13 54.701 0.50 . 1 . . . . 148 LEU CA . 26543 1 51 . 1 1 13 13 LEU CB C 13 41.326 0.50 . 1 . . . . 148 LEU CB . 26543 1 52 . 1 1 13 13 LEU N N 15 124.593 0.10 . 1 . . . . 148 LEU N . 26543 1 53 . 1 1 14 14 ARG H H 1 7.344 0.05 . 1 . . . . 149 ARG H . 26543 1 54 . 1 1 14 14 ARG C C 13 174.837 0.50 . 1 . . . . 149 ARG C . 26543 1 55 . 1 1 14 14 ARG CB C 13 32.905 0.50 . 1 . . . . 149 ARG CB . 26543 1 56 . 1 1 14 14 ARG N N 15 119.155 0.10 . 1 . . . . 149 ARG N . 26543 1 57 . 1 1 15 15 TRP H H 1 9.282 0.05 . 1 . . . . 150 TRP H . 26543 1 58 . 1 1 15 15 TRP C C 13 174.420 0.50 . 1 . . . . 150 TRP C . 26543 1 59 . 1 1 15 15 TRP CA C 13 55.144 0.50 . 1 . . . . 150 TRP CA . 26543 1 60 . 1 1 15 15 TRP CB C 13 30.339 0.50 . 1 . . . . 150 TRP CB . 26543 1 61 . 1 1 15 15 TRP N N 15 124.530 0.10 . 1 . . . . 150 TRP N . 26543 1 62 . 1 1 16 16 PRO C C 13 175.657 0.50 . 1 . . . . 151 PRO C . 26543 1 63 . 1 1 16 16 PRO CA C 13 61.497 0.50 . 1 . . . . 151 PRO CA . 26543 1 64 . 1 1 16 16 PRO CB C 13 29.428 0.50 . 1 . . . . 151 PRO CB . 26543 1 65 . 1 1 17 17 LEU H H 1 8.764 0.05 . 1 . . . . 152 LEU H . 26543 1 66 . 1 1 17 17 LEU C C 13 177.998 0.50 . 1 . . . . 152 LEU C . 26543 1 67 . 1 1 17 17 LEU CA C 13 53.200 0.50 . 1 . . . . 152 LEU CA . 26543 1 68 . 1 1 17 17 LEU CB C 13 42.802 0.50 . 1 . . . . 152 LEU CB . 26543 1 69 . 1 1 17 17 LEU N N 15 128.593 0.10 . 1 . . . . 152 LEU N . 26543 1 70 . 1 1 18 18 ARG H H 1 8.791 0.05 . 1 . . . . 153 ARG H . 26543 1 71 . 1 1 18 18 ARG C C 13 173.613 0.50 . 1 . . . . 153 ARG C . 26543 1 72 . 1 1 18 18 ARG CA C 13 53.997 0.50 . 1 . . . . 153 ARG CA . 26543 1 73 . 1 1 18 18 ARG CB C 13 31.762 0.50 . 1 . . . . 153 ARG CB . 26543 1 74 . 1 1 18 18 ARG N N 15 119.217 0.10 . 1 . . . . 153 ARG N . 26543 1 75 . 1 1 19 19 PHE H H 1 8.823 0.05 . 1 . . . . 154 PHE H . 26543 1 76 . 1 1 19 19 PHE C C 13 173.601 0.50 . 1 . . . . 154 PHE C . 26543 1 77 . 1 1 19 19 PHE CA C 13 57.307 0.50 . 1 . . . . 154 PHE CA . 26543 1 78 . 1 1 19 19 PHE CB C 13 35.576 0.50 . 1 . . . . 154 PHE CB . 26543 1 79 . 1 1 19 19 PHE N N 15 124.061 0.10 . 1 . . . . 154 PHE N . 26543 1 80 . 1 1 20 20 VAL H H 1 9.364 0.05 . 1 . . . . 155 VAL H . 26543 1 81 . 1 1 20 20 VAL C C 13 175.542 0.50 . 1 . . . . 155 VAL C . 26543 1 82 . 1 1 20 20 VAL CA C 13 62.807 0.50 . 1 . . . . 155 VAL CA . 26543 1 83 . 1 1 20 20 VAL CB C 13 33.064 0.50 . 1 . . . . 155 VAL CB . 26543 1 84 . 1 1 20 20 VAL N N 15 128.874 0.10 . 1 . . . . 155 VAL N . 26543 1 85 . 1 1 21 21 ILE H H 1 8.832 0.05 . 1 . . . . 156 ILE H . 26543 1 86 . 1 1 21 21 ILE C C 13 176.998 0.50 . 1 . . . . 156 ILE C . 26543 1 87 . 1 1 21 21 ILE CA C 13 60.670 0.50 . 1 . . . . 156 ILE CA . 26543 1 88 . 1 1 21 21 ILE CB C 13 38.366 0.50 . 1 . . . . 156 ILE CB . 26543 1 89 . 1 1 21 21 ILE N N 15 117.436 0.10 . 1 . . . . 156 ILE N . 26543 1 90 . 1 1 22 22 GLY H H 1 7.712 0.05 . 1 . . . . 157 GLY H . 26543 1 91 . 1 1 22 22 GLY C C 13 170.461 0.50 . 1 . . . . 157 GLY C . 26543 1 92 . 1 1 22 22 GLY CA C 13 45.709 0.50 . 1 . . . . 157 GLY CA . 26543 1 93 . 1 1 22 22 GLY N N 15 109.060 0.10 . 1 . . . . 157 GLY N . 26543 1 94 . 1 1 23 23 SER H H 1 8.886 0.05 . 1 . . . . 158 SER H . 26543 1 95 . 1 1 23 23 SER C C 13 173.039 0.50 . 1 . . . . 158 SER C . 26543 1 96 . 1 1 23 23 SER CA C 13 57.047 0.50 . 1 . . . . 158 SER CA . 26543 1 97 . 1 1 23 23 SER CB C 13 66.261 0.50 . 1 . . . . 158 SER CB . 26543 1 98 . 1 1 23 23 SER N N 15 113.779 0.10 . 1 . . . . 158 SER N . 26543 1 99 . 1 1 24 24 SER H H 1 8.682 0.05 . 1 . . . . 159 SER H . 26543 1 100 . 1 1 24 24 SER C C 13 172.184 0.50 . 1 . . . . 159 SER C . 26543 1 101 . 1 1 24 24 SER CA C 13 57.177 0.50 . 1 . . . . 159 SER CA . 26543 1 102 . 1 1 24 24 SER CB C 13 67.172 0.50 . 1 . . . . 159 SER CB . 26543 1 103 . 1 1 24 24 SER N N 15 114.623 0.10 . 1 . . . . 159 SER N . 26543 1 104 . 1 1 25 25 ASP H H 1 8.829 0.05 . 1 . . . . 160 ASP H . 26543 1 105 . 1 1 25 25 ASP C C 13 176.191 0.50 . 1 . . . . 160 ASP C . 26543 1 106 . 1 1 25 25 ASP CA C 13 53.822 0.50 . 1 . . . . 160 ASP CA . 26543 1 107 . 1 1 25 25 ASP CB C 13 40.592 0.50 . 1 . . . . 160 ASP CB . 26543 1 108 . 1 1 25 25 ASP N N 15 127.119 0.10 . 1 . . . . 160 ASP N . 26543 1 109 . 1 1 26 26 THR H H 1 9.118 0.05 . 1 . . . . 161 THR H . 26543 1 110 . 1 1 26 26 THR C C 13 172.807 0.50 . 1 . . . . 161 THR C . 26543 1 111 . 1 1 26 26 THR CA C 13 60.305 0.50 . 1 . . . . 161 THR CA . 26543 1 112 . 1 1 26 26 THR CB C 13 69.905 0.50 . 1 . . . . 161 THR CB . 26543 1 113 . 1 1 26 26 THR N N 15 120.217 0.10 . 1 . . . . 161 THR N . 26543 1 114 . 1 1 27 27 GLN H H 1 8.518 0.05 . 1 . . . . 162 GLN H . 26543 1 115 . 1 1 27 27 GLN C C 13 177.328 0.50 . 1 . . . . 162 GLN C . 26543 1 116 . 1 1 27 27 GLN CA C 13 54.779 0.50 . 1 . . . . 162 GLN CA . 26543 1 117 . 1 1 27 27 GLN CB C 13 29.257 0.50 . 1 . . . . 162 GLN CB . 26543 1 118 . 1 1 27 27 GLN N N 15 123.561 0.10 . 1 . . . . 162 GLN N . 26543 1 119 . 1 1 28 28 ARG H H 1 9.146 0.05 . 1 . . . . 163 ARG H . 26543 1 120 . 1 1 28 28 ARG C C 13 178.990 0.50 . 1 . . . . 163 ARG C . 26543 1 121 . 1 1 28 28 ARG CA C 13 59.288 0.50 . 1 . . . . 163 ARG CA . 26543 1 122 . 1 1 28 28 ARG CB C 13 28.574 0.50 . 1 . . . . 163 ARG CB . 26543 1 123 . 1 1 28 28 ARG N N 15 125.311 0.10 . 1 . . . . 163 ARG N . 26543 1 124 . 1 1 29 29 SER H H 1 8.559 0.05 . 1 . . . . 164 SER H . 26543 1 125 . 1 1 29 29 SER CA C 13 59.966 0.50 . 1 . . . . 164 SER CA . 26543 1 126 . 1 1 29 29 SER CB C 13 61.422 0.50 . 1 . . . . 164 SER CB . 26543 1 127 . 1 1 29 29 SER N N 15 113.998 0.10 . 1 . . . . 164 SER N . 26543 1 128 . 1 1 30 30 LEU H H 1 7.044 0.05 . 1 . . . . 165 LEU H . 26543 1 129 . 1 1 30 30 LEU C C 13 179.344 0.50 . 1 . . . . 165 LEU C . 26543 1 130 . 1 1 30 30 LEU CA C 13 56.421 0.50 . 1 . . . . 165 LEU CA . 26543 1 131 . 1 1 30 30 LEU CB C 13 40.358 0.50 . 1 . . . . 165 LEU CB . 26543 1 132 . 1 1 30 30 LEU N N 15 122.874 0.10 . 1 . . . . 165 LEU N . 26543 1 133 . 1 1 31 31 LEU H H 1 7.453 0.05 . 1 . . . . 166 LEU H . 26543 1 134 . 1 1 31 31 LEU C C 13 178.607 0.50 . 1 . . . . 166 LEU C . 26543 1 135 . 1 1 31 31 LEU CA C 13 56.916 0.50 . 1 . . . . 166 LEU CA . 26543 1 136 . 1 1 31 31 LEU CB C 13 40.074 0.50 . 1 . . . . 166 LEU CB . 26543 1 137 . 1 1 31 31 LEU N N 15 118.404 0.10 . 1 . . . . 166 LEU N . 26543 1 138 . 1 1 32 32 GLY H H 1 7.658 0.05 . 1 . . . . 167 GLY H . 26543 1 139 . 1 1 32 32 GLY C C 13 174.285 0.50 . 1 . . . . 167 GLY C . 26543 1 140 . 1 1 32 32 GLY CA C 13 45.318 0.50 . 1 . . . . 167 GLY CA . 26543 1 141 . 1 1 32 32 GLY N N 15 103.340 0.10 . 1 . . . . 167 GLY N . 26543 1 142 . 1 1 33 33 ARG H H 1 7.439 0.05 . 1 . . . . 168 ARG H . 26543 1 143 . 1 1 33 33 ARG C C 13 175.825 0.50 . 1 . . . . 168 ARG C . 26543 1 144 . 1 1 33 33 ARG CA C 13 54.675 0.50 . 1 . . . . 168 ARG CA . 26543 1 145 . 1 1 33 33 ARG CB C 13 29.997 0.50 . 1 . . . . 168 ARG CB . 26543 1 146 . 1 1 33 33 ARG N N 15 118.029 0.10 . 1 . . . . 168 ARG N . 26543 1 147 . 1 1 34 34 ILE H H 1 6.757 0.05 . 1 . . . . 169 ILE H . 26543 1 148 . 1 1 34 34 ILE C C 13 174.249 0.50 . 1 . . . . 169 ILE C . 26543 1 149 . 1 1 34 34 ILE CA C 13 59.810 0.50 . 1 . . . . 169 ILE CA . 26543 1 150 . 1 1 34 34 ILE CB C 13 37.398 0.50 . 1 . . . . 169 ILE CB . 26543 1 151 . 1 1 34 34 ILE N N 15 121.717 0.10 . 1 . . . . 169 ILE N . 26543 1 152 . 1 1 35 35 GLY H H 1 8.371 0.05 . 1 . . . . 170 GLY H . 26543 1 153 . 1 1 35 35 GLY C C 13 172.000 0.50 . 1 . . . . 170 GLY C . 26543 1 154 . 1 1 35 35 GLY CA C 13 43.311 0.50 . 1 . . . . 170 GLY CA . 26543 1 155 . 1 1 35 35 GLY N N 15 112.455 0.10 . 1 . . . . 170 GLY N . 26543 1 156 . 1 1 36 36 ILE H H 1 8.026 0.05 . 1 . . . . 171 ILE H . 26543 1 157 . 1 1 36 36 ILE C C 13 177.890 0.50 . 1 . . . . 171 ILE C . 26543 1 158 . 1 1 36 36 ILE CA C 13 62.781 0.50 . 1 . . . . 171 ILE CA . 26543 1 159 . 1 1 36 36 ILE CB C 13 36.487 0.50 . 1 . . . . 171 ILE CB . 26543 1 160 . 1 1 36 36 ILE N N 15 118.186 0.10 . 1 . . . . 171 ILE N . 26543 1 161 . 1 1 37 37 GLY H H 1 8.886 0.05 . 1 . . . . 172 GLY H . 26543 1 162 . 1 1 37 37 GLY C C 13 174.236 0.50 . 1 . . . . 172 GLY C . 26543 1 163 . 1 1 37 37 GLY CA C 13 44.119 0.50 . 1 . . . . 172 GLY CA . 26543 1 164 . 1 1 37 37 GLY N N 15 116.842 0.10 . 1 . . . . 172 GLY N . 26543 1 165 . 1 1 38 38 ASP H H 1 7.644 0.05 . 1 . . . . 173 ASP H . 26543 1 166 . 1 1 38 38 ASP C C 13 174.285 0.50 . 1 . . . . 173 ASP C . 26543 1 167 . 1 1 38 38 ASP CA C 13 54.519 0.50 . 1 . . . . 173 ASP CA . 26543 1 168 . 1 1 38 38 ASP CB C 13 40.529 0.50 . 1 . . . . 173 ASP CB . 26543 1 169 . 1 1 38 38 ASP N N 15 121.186 0.10 . 1 . . . . 173 ASP N . 26543 1 170 . 1 1 39 39 VAL H H 1 8.163 0.05 . 1 . . . . 174 VAL H . 26543 1 171 . 1 1 39 39 VAL C C 13 176.277 0.50 . 1 . . . . 174 VAL C . 26543 1 172 . 1 1 39 39 VAL CA C 13 60.201 0.50 . 1 . . . . 174 VAL CA . 26543 1 173 . 1 1 39 39 VAL CB C 13 31.990 0.50 . 1 . . . . 174 VAL CB . 26543 1 174 . 1 1 39 39 VAL N N 15 118.873 0.10 . 1 . . . . 174 VAL N . 26543 1 175 . 1 1 40 40 LEU H H 1 8.491 0.05 . 1 . . . . 175 LEU H . 26543 1 176 . 1 1 40 40 LEU C C 13 175.734 0.50 . 1 . . . . 175 LEU C . 26543 1 177 . 1 1 40 40 LEU CA C 13 52.081 0.50 . 1 . . . . 175 LEU CA . 26543 1 178 . 1 1 40 40 LEU CB C 13 42.447 0.50 . 1 . . . . 175 LEU CB . 26543 1 179 . 1 1 40 40 LEU N N 15 129.031 0.10 . 1 . . . . 175 LEU N . 26543 1 180 . 1 1 41 41 LEU H H 1 8.324 0.05 . 1 . . . . 176 LEU H . 26543 1 181 . 1 1 41 41 LEU C C 13 177.181 0.50 . 1 . . . . 176 LEU C . 26543 1 182 . 1 1 41 41 LEU CA C 13 54.545 0.50 . 1 . . . . 176 LEU CA . 26543 1 183 . 1 1 41 41 LEU N N 15 123.533 0.10 . 1 . . . . 176 LEU N . 26543 1 184 . 1 1 42 42 ILE H H 1 8.354 0.05 . 1 . . . . 177 ILE H . 26543 1 185 . 1 1 42 42 ILE C C 13 175.116 0.50 . 1 . . . . 177 ILE C . 26543 1 186 . 1 1 42 42 ILE CA C 13 60.956 0.50 . 1 . . . . 177 ILE CA . 26543 1 187 . 1 1 42 42 ILE CB C 13 35.463 0.50 . 1 . . . . 177 ILE CB . 26543 1 188 . 1 1 42 42 ILE N N 15 124.999 0.10 . 1 . . . . 177 ILE N . 26543 1 189 . 1 1 43 43 ARG H H 1 8.363 0.05 . 1 . . . . 178 ARG H . 26543 1 190 . 1 1 43 43 ARG C C 13 177.256 0.50 . 1 . . . . 178 ARG C . 26543 1 191 . 1 1 43 43 ARG CA C 13 57.649 0.50 . 1 . . . . 178 ARG CA . 26543 1 192 . 1 1 43 43 ARG CB C 13 29.249 0.50 . 1 . . . . 178 ARG CB . 26543 1 193 . 1 1 43 43 ARG N N 15 128.936 0.10 . 1 . . . . 178 ARG N . 26543 1 194 . 1 1 44 44 THR H H 1 8.409 0.05 . 1 . . . . 179 THR H . 26543 1 195 . 1 1 44 44 THR C C 13 173.503 0.50 . 1 . . . . 179 THR C . 26543 1 196 . 1 1 44 44 THR CA C 13 60.930 0.50 . 1 . . . . 179 THR CA . 26543 1 197 . 1 1 44 44 THR CB C 13 69.279 0.50 . 1 . . . . 179 THR CB . 26543 1 198 . 1 1 44 44 THR N N 15 116.498 0.10 . 1 . . . . 179 THR N . 26543 1 199 . 1 1 45 45 SER H H 1 8.818 0.05 . 1 . . . . 180 SER H . 26543 1 200 . 1 1 45 45 SER C C 13 173.613 0.50 . 1 . . . . 180 SER C . 26543 1 201 . 1 1 45 45 SER CA C 13 57.959 0.50 . 1 . . . . 180 SER CA . 26543 1 202 . 1 1 45 45 SER CB C 13 62.732 0.50 . 1 . . . . 180 SER CB . 26543 1 203 . 1 1 45 45 SER N N 15 123.867 0.10 . 1 . . . . 180 SER N . 26543 1 204 . 1 1 46 46 ARG H H 1 7.508 0.05 . 1 . . . . 181 ARG H . 26543 1 205 . 1 1 46 46 ARG C C 13 173.467 0.50 . 1 . . . . 181 ARG C . 26543 1 206 . 1 1 46 46 ARG CA C 13 55.014 0.50 . 1 . . . . 181 ARG CA . 26543 1 207 . 1 1 46 46 ARG CB C 13 32.730 0.50 . 1 . . . . 181 ARG CB . 26543 1 208 . 1 1 46 46 ARG N N 15 125.530 0.10 . 1 . . . . 181 ARG N . 26543 1 209 . 1 1 47 47 ALA H H 1 8.218 0.05 . 1 . . . . 182 ALA H . 26543 1 210 . 1 1 47 47 ALA C C 13 176.386 0.50 . 1 . . . . 182 ALA C . 26543 1 211 . 1 1 47 47 ALA CA C 13 51.563 0.50 . 1 . . . . 182 ALA CA . 26543 1 212 . 1 1 47 47 ALA CB C 13 16.194 0.50 . 1 . . . . 182 ALA CB . 26543 1 213 . 1 1 47 47 ALA N N 15 128.874 0.10 . 1 . . . . 182 ALA N . 26543 1 214 . 1 1 48 48 GLU H H 1 8.572 0.05 . 1 . . . . 183 GLU H . 26543 1 215 . 1 1 48 48 GLU C C 13 174.224 0.50 . 1 . . . . 183 GLU C . 26543 1 216 . 1 1 48 48 GLU CA C 13 53.971 0.50 . 1 . . . . 183 GLU CA . 26543 1 217 . 1 1 48 48 GLU CB C 13 35.292 0.50 . 1 . . . . 183 GLU CB . 26543 1 218 . 1 1 48 48 GLU N N 15 123.030 0.10 . 1 . . . . 183 GLU N . 26543 1 219 . 1 1 49 49 VAL H H 1 8.381 0.05 . 1 . . . . 184 VAL H . 26543 1 220 . 1 1 49 49 VAL C C 13 174.542 0.50 . 1 . . . . 184 VAL C . 26543 1 221 . 1 1 49 49 VAL CA C 13 59.914 0.50 . 1 . . . . 184 VAL CA . 26543 1 222 . 1 1 49 49 VAL CB C 13 31.876 0.50 . 1 . . . . 184 VAL CB . 26543 1 223 . 1 1 49 49 VAL N N 15 122.124 0.10 . 1 . . . . 184 VAL N . 26543 1 224 . 1 1 50 50 TYR H H 1 8.982 0.05 . 1 . . . . 185 TYR H . 26543 1 225 . 1 1 50 50 TYR C C 13 175.222 0.50 . 1 . . . . 185 TYR C . 26543 1 226 . 1 1 50 50 TYR CA C 13 56.148 0.50 . 1 . . . . 185 TYR CA . 26543 1 227 . 1 1 50 50 TYR CB C 13 43.430 0.50 . 1 . . . . 185 TYR CB . 26543 1 228 . 1 1 50 50 TYR N N 15 127.124 0.10 . 1 . . . . 185 TYR N . 26543 1 229 . 1 1 51 51 CYS H H 1 8.668 0.05 . 1 . . . . 186 CYS H . 26543 1 230 . 1 1 51 51 CYS C C 13 174.725 0.50 . 1 . . . . 186 CYS C . 26543 1 231 . 1 1 51 51 CYS CA C 13 58.272 0.50 . 1 . . . . 186 CYS CA . 26543 1 232 . 1 1 51 51 CYS CB C 13 28.176 0.50 . 1 . . . . 186 CYS CB . 26543 1 233 . 1 1 51 51 CYS N N 15 120.748 0.10 . 1 . . . . 186 CYS N . 26543 1 234 . 1 1 52 52 TYR H H 1 9.091 0.05 . 1 . . . . 187 TYR H . 26543 1 235 . 1 1 52 52 TYR C C 13 176.425 0.50 . 1 . . . . 187 TYR C . 26543 1 236 . 1 1 52 52 TYR CA C 13 59.996 0.50 . 1 . . . . 187 TYR CA . 26543 1 237 . 1 1 52 52 TYR CB C 13 34.495 0.50 . 1 . . . . 187 TYR CB . 26543 1 238 . 1 1 52 52 TYR N N 15 127.437 0.10 . 1 . . . . 187 TYR N . 26543 1 239 . 1 1 53 53 ALA H H 1 8.491 0.05 . 1 . . . . 188 ALA H . 26543 1 240 . 1 1 53 53 ALA C C 13 177.193 0.50 . 1 . . . . 188 ALA C . 26543 1 241 . 1 1 53 53 ALA CA C 13 51.938 0.50 . 1 . . . . 188 ALA CA . 26543 1 242 . 1 1 53 53 ALA CB C 13 18.213 0.50 . 1 . . . . 188 ALA CB . 26543 1 243 . 1 1 53 53 ALA N N 15 126.249 0.10 . 1 . . . . 188 ALA N . 26543 1 244 . 1 1 55 55 LYS H H 1 8.504 0.05 . 1 . . . . 190 LYS H . 26543 1 245 . 1 1 55 55 LYS C C 13 176.476 0.50 . 1 . . . . 190 LYS C . 26543 1 246 . 1 1 55 55 LYS CA C 13 55.356 0.50 . 1 . . . . 190 LYS CA . 26543 1 247 . 1 1 55 55 LYS CB C 13 30.501 0.50 . 1 . . . . 190 LYS CB . 26543 1 248 . 1 1 55 55 LYS N N 15 127.937 0.10 . 1 . . . . 190 LYS N . 26543 1 249 . 1 1 56 56 LEU H H 1 9.064 0.05 . 1 . . . . 191 LEU H . 26543 1 250 . 1 1 56 56 LEU C C 13 176.988 0.50 . 1 . . . . 191 LEU C . 26543 1 251 . 1 1 56 56 LEU CA C 13 54.292 0.50 . 1 . . . . 191 LEU CA . 26543 1 252 . 1 1 56 56 LEU CB C 13 42.447 0.50 . 1 . . . . 191 LEU CB . 26543 1 253 . 1 1 56 56 LEU N N 15 127.155 0.10 . 1 . . . . 191 LEU N . 26543 1 254 . 1 1 57 57 GLY H H 1 6.948 0.05 . 1 . . . . 192 GLY H . 26543 1 255 . 1 1 57 57 GLY C C 13 171.255 0.50 . 1 . . . . 192 GLY C . 26543 1 256 . 1 1 57 57 GLY CA C 13 44.849 0.50 . 1 . . . . 192 GLY CA . 26543 1 257 . 1 1 57 57 GLY N N 15 103.872 0.10 . 1 . . . . 192 GLY N . 26543 1 258 . 1 1 58 58 HIS H H 1 8.518 0.05 . 1 . . . . 193 HIS H . 26543 1 259 . 1 1 58 58 HIS C C 13 173.137 0.50 . 1 . . . . 193 HIS C . 26543 1 260 . 1 1 58 58 HIS CA C 13 54.466 0.50 . 1 . . . . 193 HIS CA . 26543 1 261 . 1 1 58 58 HIS CB C 13 31.193 0.50 . 1 . . . . 193 HIS CB . 26543 1 262 . 1 1 58 58 HIS N N 15 120.186 0.10 . 1 . . . . 193 HIS N . 26543 1 263 . 1 1 59 59 PHE H H 1 7.494 0.05 . 1 . . . . 194 PHE H . 26543 1 264 . 1 1 59 59 PHE C C 13 170.717 0.50 . 1 . . . . 194 PHE C . 26543 1 265 . 1 1 59 59 PHE CA C 13 54.701 0.50 . 1 . . . . 194 PHE CA . 26543 1 266 . 1 1 59 59 PHE CB C 13 42.180 0.50 . 1 . . . . 194 PHE CB . 26543 1 267 . 1 1 59 59 PHE N N 15 116.936 0.10 . 1 . . . . 194 PHE N . 26543 1 268 . 1 1 60 60 ASN H H 1 8.996 0.05 . 1 . . . . 195 ASN H . 26543 1 269 . 1 1 60 60 ASN C C 13 173.858 0.50 . 1 . . . . 195 ASN C . 26543 1 270 . 1 1 60 60 ASN CA C 13 51.469 0.50 . 1 . . . . 195 ASN CA . 26543 1 271 . 1 1 60 60 ASN CB C 13 41.497 0.50 . 1 . . . . 195 ASN CB . 26543 1 272 . 1 1 60 60 ASN N N 15 116.592 0.10 . 1 . . . . 195 ASN N . 26543 1 273 . 1 1 61 61 ARG H H 1 8.791 0.05 . 1 . . . . 196 ARG H . 26543 1 274 . 1 1 61 61 ARG C C 13 174.982 0.50 . 1 . . . . 196 ARG C . 26543 1 275 . 1 1 61 61 ARG CA C 13 55.457 0.50 . 1 . . . . 196 ARG CA . 26543 1 276 . 1 1 61 61 ARG CB C 13 30.282 0.50 . 1 . . . . 196 ARG CB . 26543 1 277 . 1 1 61 61 ARG N N 15 126.249 0.10 . 1 . . . . 196 ARG N . 26543 1 278 . 1 1 62 62 VAL H H 1 8.409 0.05 . 1 . . . . 197 VAL H . 26543 1 279 . 1 1 62 62 VAL C C 13 176.094 0.50 . 1 . . . . 197 VAL C . 26543 1 280 . 1 1 62 62 VAL CA C 13 58.637 0.50 . 1 . . . . 197 VAL CA . 26543 1 281 . 1 1 62 62 VAL CB C 13 34.324 0.50 . 1 . . . . 197 VAL CB . 26543 1 282 . 1 1 62 62 VAL N N 15 121.124 0.10 . 1 . . . . 197 VAL N . 26543 1 283 . 1 1 63 63 GLU H H 1 8.463 0.05 . 1 . . . . 198 GLU H . 26543 1 284 . 1 1 63 63 GLU C C 13 177.780 0.50 . 1 . . . . 198 GLU C . 26543 1 285 . 1 1 63 63 GLU CA C 13 58.454 0.50 . 1 . . . . 198 GLU CA . 26543 1 286 . 1 1 63 63 GLU CB C 13 27.720 0.50 . 1 . . . . 198 GLU CB . 26543 1 287 . 1 1 63 63 GLU N N 15 122.874 0.10 . 1 . . . . 198 GLU N . 26543 1 288 . 1 1 64 64 GLY H H 1 8.600 0.05 . 1 . . . . 199 GLY H . 26543 1 289 . 1 1 64 64 GLY C C 13 175.006 0.50 . 1 . . . . 199 GLY C . 26543 1 290 . 1 1 64 64 GLY CA C 13 44.666 0.50 . 1 . . . . 199 GLY CA . 26543 1 291 . 1 1 64 64 GLY N N 15 111.997 0.10 . 1 . . . . 199 GLY N . 26543 1 292 . 1 1 65 65 GLY H H 1 7.631 0.05 . 1 . . . . 200 GLY H . 26543 1 293 . 1 1 65 65 GLY C C 13 170.803 0.50 . 1 . . . . 200 GLY C . 26543 1 294 . 1 1 65 65 GLY CA C 13 46.308 0.50 . 1 . . . . 200 GLY CA . 26543 1 295 . 1 1 65 65 GLY N N 15 107.872 0.10 . 1 . . . . 200 GLY N . 26543 1 296 . 1 1 66 66 ILE H H 1 8.777 0.05 . 1 . . . . 201 ILE H . 26543 1 297 . 1 1 66 66 ILE C C 13 173.537 0.50 . 1 . . . . 201 ILE C . 26543 1 298 . 1 1 66 66 ILE CA C 13 58.976 0.50 . 1 . . . . 201 ILE CA . 26543 1 299 . 1 1 66 66 ILE CB C 13 42.123 0.50 . 1 . . . . 201 ILE CB . 26543 1 300 . 1 1 66 66 ILE N N 15 124.218 0.10 . 1 . . . . 201 ILE N . 26543 1 301 . 1 1 67 67 ILE H H 1 8.545 0.05 . 1 . . . . 202 ILE H . 26543 1 302 . 1 1 67 67 ILE C C 13 176.118 0.50 . 1 . . . . 202 ILE C . 26543 1 303 . 1 1 67 67 ILE CA C 13 59.132 0.50 . 1 . . . . 202 ILE CA . 26543 1 304 . 1 1 67 67 ILE CB C 13 39.220 0.50 . 1 . . . . 202 ILE CB . 26543 1 305 . 1 1 67 67 ILE N N 15 124.061 0.10 . 1 . . . . 202 ILE N . 26543 1 306 . 1 1 68 68 VAL H H 1 9.460 0.05 . 1 . . . . 203 VAL H . 26543 1 307 . 1 1 68 68 VAL C C 13 174.761 0.50 . 1 . . . . 203 VAL C . 26543 1 308 . 1 1 68 68 VAL CA C 13 62.207 0.50 . 1 . . . . 203 VAL CA . 26543 1 309 . 1 1 68 68 VAL CB C 13 30.620 0.50 . 1 . . . . 203 VAL CB . 26543 1 310 . 1 1 68 68 VAL N N 15 130.187 0.10 . 1 . . . . 203 VAL N . 26543 1 311 . 1 1 69 69 GLU H H 1 8.149 0.05 . 1 . . . . 204 GLU H . 26543 1 312 . 1 1 69 69 GLU C C 13 175.629 0.50 . 1 . . . . 204 GLU C . 26543 1 313 . 1 1 69 69 GLU CA C 13 56.969 0.50 . 1 . . . . 204 GLU CA . 26543 1 314 . 1 1 69 69 GLU CB C 13 29.940 0.50 . 1 . . . . 204 GLU CB . 26543 1 315 . 1 1 69 69 GLU N N 15 126.218 0.10 . 1 . . . . 204 GLU N . 26543 1 316 . 1 1 70 70 THR H H 1 7.480 0.05 . 1 . . . . 205 THR H . 26543 1 317 . 1 1 70 70 THR C C 13 172.782 0.50 . 1 . . . . 205 THR C . 26543 1 318 . 1 1 70 70 THR CA C 13 61.087 0.50 . 1 . . . . 205 THR CA . 26543 1 319 . 1 1 70 70 THR CB C 13 70.019 0.50 . 1 . . . . 205 THR CB . 26543 1 320 . 1 1 70 70 THR N N 15 110.997 0.10 . 1 . . . . 205 THR N . 26543 1 321 . 1 1 71 71 LEU H H 1 8.299 0.05 . 1 . . . . 206 LEU H . 26543 1 322 . 1 1 71 71 LEU C C 13 175.593 0.50 . 1 . . . . 206 LEU C . 26543 1 323 . 1 1 71 71 LEU CA C 13 53.346 0.50 . 1 . . . . 206 LEU CA . 26543 1 324 . 1 1 71 71 LEU CB C 13 43.717 0.50 . 1 . . . . 206 LEU CB . 26543 1 325 . 1 1 71 71 LEU N N 15 124.061 0.10 . 1 . . . . 206 LEU N . 26543 1 326 . 1 1 72 72 ASP H H 1 8.627 0.05 . 1 . . . . 207 ASP H . 26543 1 327 . 1 1 72 72 ASP C C 13 175.666 0.50 . 1 . . . . 207 ASP C . 26543 1 328 . 1 1 72 72 ASP CA C 13 52.355 0.50 . 1 . . . . 207 ASP CA . 26543 1 329 . 1 1 72 72 ASP CB C 13 39.789 0.50 . 1 . . . . 207 ASP CB . 26543 1 330 . 1 1 72 72 ASP N N 15 125.624 0.10 . 1 . . . . 207 ASP N . 26543 1 331 . 1 1 73 73 ILE H H 1 8.013 0.05 . 1 . . . . 208 ILE H . 26543 1 332 . 1 1 73 73 ILE C C 13 176.851 0.50 . 1 . . . . 208 ILE C . 26543 1 333 . 1 1 73 73 ILE CA C 13 60.539 0.50 . 1 . . . . 208 ILE CA . 26543 1 334 . 1 1 73 73 ILE CB C 13 36.658 0.50 . 1 . . . . 208 ILE CB . 26543 1 335 . 1 1 73 73 ILE N N 15 118.436 0.10 . 1 . . . . 208 ILE N . 26543 1 336 . 1 1 74 74 GLN H H 1 8.081 0.05 . 1 . . . . 209 GLN H . 26543 1 337 . 1 1 74 74 GLN C C 13 176.644 0.50 . 1 . . . . 209 GLN C . 26543 1 338 . 1 1 74 74 GLN CA C 13 57.073 0.50 . 1 . . . . 209 GLN CA . 26543 1 339 . 1 1 74 74 GLN CB C 13 27.891 0.50 . 1 . . . . 209 GLN CB . 26543 1 340 . 1 1 74 74 GLN N N 15 121.874 0.10 . 1 . . . . 209 GLN N . 26543 1 341 . 1 1 75 75 HIS H H 1 8.231 0.05 . 1 . . . . 210 HIS H . 26543 1 342 . 1 1 75 75 HIS C C 13 175.202 0.50 . 1 . . . . 210 HIS C . 26543 1 343 . 1 1 75 75 HIS CA C 13 55.014 0.50 . 1 . . . . 210 HIS CA . 26543 1 344 . 1 1 75 75 HIS CB C 13 27.265 0.50 . 1 . . . . 210 HIS CB . 26543 1 345 . 1 1 75 75 HIS N N 15 115.842 0.10 . 1 . . . . 210 HIS N . 26543 1 346 . 1 1 76 76 ILE H H 1 7.262 0.05 . 1 . . . . 211 ILE H . 26543 1 347 . 1 1 76 76 ILE C C 13 175.373 0.50 . 1 . . . . 211 ILE C . 26543 1 348 . 1 1 76 76 ILE CA C 13 62.703 0.50 . 1 . . . . 211 ILE CA . 26543 1 349 . 1 1 76 76 ILE CB C 13 37.398 0.50 . 1 . . . . 211 ILE CB . 26543 1 350 . 1 1 76 76 ILE N N 15 121.155 0.10 . 1 . . . . 211 ILE N . 26543 1 351 . 1 1 77 77 GLU H H 1 8.327 0.05 . 1 . . . . 212 GLU H . 26543 1 352 . 1 1 77 77 GLU C C 13 176.534 0.50 . 1 . . . . 212 GLU C . 26543 1 353 . 1 1 77 77 GLU CA C 13 56.135 0.50 . 1 . . . . 212 GLU CA . 26543 1 354 . 1 1 77 77 GLU CB C 13 29.257 0.50 . 1 . . . . 212 GLU CB . 26543 1 355 . 1 1 77 77 GLU N N 15 121.374 0.10 . 1 . . . . 212 GLU N . 26543 1 356 . 1 1 78 78 GLU H H 1 7.890 0.05 . 1 . . . . 213 GLU H . 26543 1 357 . 1 1 78 78 GLU C C 13 176.424 0.50 . 1 . . . . 213 GLU C . 26543 1 358 . 1 1 78 78 GLU CA C 13 56.030 0.50 . 1 . . . . 213 GLU CA . 26543 1 359 . 1 1 78 78 GLU CB C 13 29.314 0.50 . 1 . . . . 213 GLU CB . 26543 1 360 . 1 1 78 78 GLU N N 15 120.936 0.10 . 1 . . . . 213 GLU N . 26543 1 361 . 1 1 79 79 GLU H H 1 7.999 0.05 . 1 . . . . 214 GLU H . 26543 1 362 . 1 1 79 79 GLU C C 13 175.886 0.50 . 1 . . . . 214 GLU C . 26543 1 363 . 1 1 79 79 GLU CA C 13 55.874 0.50 . 1 . . . . 214 GLU CA . 26543 1 364 . 1 1 79 79 GLU CB C 13 29.257 0.50 . 1 . . . . 214 GLU CB . 26543 1 365 . 1 1 79 79 GLU N N 15 122.092 0.10 . 1 . . . . 214 GLU N . 26543 1 366 . 1 1 80 80 ASN H H 1 8.354 0.05 . 1 . . . . 215 ASN H . 26543 1 367 . 1 1 80 80 ASN C C 13 174.603 0.50 . 1 . . . . 215 ASN C . 26543 1 368 . 1 1 80 80 ASN CA C 13 52.668 0.50 . 1 . . . . 215 ASN CA . 26543 1 369 . 1 1 80 80 ASN CB C 13 38.195 0.50 . 1 . . . . 215 ASN CB . 26543 1 370 . 1 1 80 80 ASN N N 15 120.686 0.10 . 1 . . . . 215 ASN N . 26543 1 371 . 1 1 81 81 ASN H H 1 8.327 0.05 . 1 . . . . 216 ASN H . 26543 1 372 . 1 1 81 81 ASN C C 13 175.312 0.50 . 1 . . . . 216 ASN C . 26543 1 373 . 1 1 81 81 ASN CA C 13 52.772 0.50 . 1 . . . . 216 ASN CA . 26543 1 374 . 1 1 81 81 ASN CB C 13 38.138 0.50 . 1 . . . . 216 ASN CB . 26543 1 375 . 1 1 81 81 ASN N N 15 120.467 0.10 . 1 . . . . 216 ASN N . 26543 1 376 . 1 1 82 82 THR H H 1 8.026 0.05 . 1 . . . . 217 THR H . 26543 1 377 . 1 1 82 82 THR C C 13 174.603 0.50 . 1 . . . . 217 THR C . 26543 1 378 . 1 1 82 82 THR CA C 13 61.347 0.50 . 1 . . . . 217 THR CA . 26543 1 379 . 1 1 82 82 THR CB C 13 68.937 0.50 . 1 . . . . 217 THR CB . 26543 1 380 . 1 1 82 82 THR N N 15 115.123 0.10 . 1 . . . . 217 THR N . 26543 1 381 . 1 1 83 83 THR H H 1 8.054 0.05 . 1 . . . . 218 THR H . 26543 1 382 . 1 1 83 83 THR C C 13 174.456 0.50 . 1 . . . . 218 THR C . 26543 1 383 . 1 1 83 83 THR CA C 13 61.426 0.50 . 1 . . . . 218 THR CA . 26543 1 384 . 1 1 83 83 THR CB C 13 69.051 0.50 . 1 . . . . 218 THR CB . 26543 1 385 . 1 1 83 83 THR N N 15 117.154 0.10 . 1 . . . . 218 THR N . 26543 1 386 . 1 1 84 84 GLU H H 1 8.313 0.05 . 1 . . . . 219 GLU H . 26543 1 387 . 1 1 84 84 GLU C C 13 176.424 0.50 . 1 . . . . 219 GLU C . 26543 1 388 . 1 1 84 84 GLU CA C 13 56.004 0.50 . 1 . . . . 219 GLU CA . 26543 1 389 . 1 1 84 84 GLU CB C 13 29.257 0.50 . 1 . . . . 219 GLU CB . 26543 1 390 . 1 1 84 84 GLU N N 15 124.343 0.10 . 1 . . . . 219 GLU N . 26543 1 391 . 1 1 85 85 THR H H 1 8.108 0.05 . 1 . . . . 220 THR H . 26543 1 392 . 1 1 85 85 THR C C 13 174.090 0.50 . 1 . . . . 220 THR C . 26543 1 393 . 1 1 85 85 THR CA C 13 61.139 0.50 . 1 . . . . 220 THR CA . 26543 1 394 . 1 1 85 85 THR CB C 13 69.108 0.50 . 1 . . . . 220 THR CB . 26543 1 395 . 1 1 85 85 THR N N 15 116.498 0.10 . 1 . . . . 220 THR N . 26543 1 396 . 1 1 86 86 ALA H H 1 8.272 0.05 . 1 . . . . 221 ALA H . 26543 1 397 . 1 1 86 86 ALA C C 13 177.589 0.50 . 1 . . . . 221 ALA C . 26543 1 398 . 1 1 86 86 ALA CA C 13 51.972 0.50 . 1 . . . . 221 ALA CA . 26543 1 399 . 1 1 86 86 ALA CB C 13 18.400 0.50 . 1 . . . . 221 ALA CB . 26543 1 400 . 1 1 86 86 ALA N N 15 127.312 0.10 . 1 . . . . 221 ALA N . 26543 1 401 . 1 1 87 87 GLU H H 1 8.258 0.05 . 1 . . . . 222 GLU H . 26543 1 402 . 1 1 87 87 GLU C C 13 176.534 0.50 . 1 . . . . 222 GLU C . 26543 1 403 . 1 1 87 87 GLU CA C 13 56.056 0.50 . 1 . . . . 222 GLU CA . 26543 1 404 . 1 1 87 87 GLU CB C 13 29.371 0.50 . 1 . . . . 222 GLU CB . 26543 1 405 . 1 1 87 87 GLU N N 15 120.686 0.10 . 1 . . . . 222 GLU N . 26543 1 406 . 1 1 88 88 THR H H 1 8.067 0.05 . 1 . . . . 223 THR H . 26543 1 407 . 1 1 88 88 THR C C 13 174.200 0.50 . 1 . . . . 223 THR C . 26543 1 408 . 1 1 88 88 THR CA C 13 61.191 0.50 . 1 . . . . 223 THR CA . 26543 1 409 . 1 1 88 88 THR CB C 13 69.051 0.50 . 1 . . . . 223 THR CB . 26543 1 410 . 1 1 88 88 THR N N 15 116.248 0.10 . 1 . . . . 223 THR N . 26543 1 411 . 1 1 89 89 LEU H H 1 8.108 0.05 . 1 . . . . 224 LEU H . 26543 1 412 . 1 1 89 89 LEU C C 13 175.177 0.50 . 1 . . . . 224 LEU C . 26543 1 413 . 1 1 89 89 LEU CA C 13 52.720 0.50 . 1 . . . . 224 LEU CA . 26543 1 414 . 1 1 89 89 LEU CB C 13 40.472 0.50 . 1 . . . . 224 LEU CB . 26543 1 415 . 1 1 89 89 LEU N N 15 126.655 0.10 . 1 . . . . 224 LEU N . 26543 1 416 . 1 1 90 90 PRO C C 13 177.597 0.50 . 1 . . . . 225 PRO C . 26543 1 417 . 1 1 90 90 PRO CA C 13 62.989 0.50 . 1 . . . . 225 PRO CA . 26543 1 418 . 1 1 90 90 PRO CB C 13 30.908 0.50 . 1 . . . . 225 PRO CB . 26543 1 419 . 1 1 91 91 GLY H H 1 8.272 0.05 . 1 . . . . 226 GLY H . 26543 1 420 . 1 1 91 91 GLY C C 13 174.591 0.50 . 1 . . . . 226 GLY C . 26543 1 421 . 1 1 91 91 GLY CA C 13 44.823 0.50 . 1 . . . . 226 GLY CA . 26543 1 422 . 1 1 91 91 GLY N N 15 109.028 0.10 . 1 . . . . 226 GLY N . 26543 1 423 . 1 1 92 92 LEU H H 1 7.863 0.05 . 1 . . . . 227 LEU H . 26543 1 424 . 1 1 92 92 LEU C C 13 177.560 0.50 . 1 . . . . 227 LEU C . 26543 1 425 . 1 1 92 92 LEU CA C 13 55.222 0.50 . 1 . . . . 227 LEU CA . 26543 1 426 . 1 1 92 92 LEU CB C 13 40.700 0.50 . 1 . . . . 227 LEU CB . 26543 1 427 . 1 1 92 92 LEU N N 15 121.999 0.10 . 1 . . . . 227 LEU N . 26543 1 428 . 1 1 93 93 ASN H H 1 8.245 0.05 . 1 . . . . 228 ASN H . 26543 1 429 . 1 1 93 93 ASN C C 13 175.043 0.50 . 1 . . . . 228 ASN C . 26543 1 430 . 1 1 93 93 ASN CA C 13 53.346 0.50 . 1 . . . . 228 ASN CA . 26543 1 431 . 1 1 93 93 ASN CB C 13 37.854 0.50 . 1 . . . . 228 ASN CB . 26543 1 432 . 1 1 93 93 ASN N N 15 118.436 0.10 . 1 . . . . 228 ASN N . 26543 1 433 . 1 1 94 94 GLN H H 1 8.136 0.05 . 1 . . . . 229 GLN H . 26543 1 434 . 1 1 94 94 GLN C C 13 175.739 0.50 . 1 . . . . 229 GLN C . 26543 1 435 . 1 1 94 94 GLN CA C 13 55.014 0.50 . 1 . . . . 229 GLN CA . 26543 1 436 . 1 1 94 94 GLN CB C 13 28.232 0.50 . 1 . . . . 229 GLN CB . 26543 1 437 . 1 1 94 94 GLN N N 15 118.998 0.10 . 1 . . . . 229 GLN N . 26543 1 438 . 1 1 95 95 LEU H H 1 7.917 0.05 . 1 . . . . 230 LEU H . 26543 1 439 . 1 1 95 95 LEU C C 13 175.165 0.50 . 1 . . . . 230 LEU C . 26543 1 440 . 1 1 95 95 LEU CA C 13 53.137 0.50 . 1 . . . . 230 LEU CA . 26543 1 441 . 1 1 95 95 LEU CB C 13 40.131 0.50 . 1 . . . . 230 LEU CB . 26543 1 442 . 1 1 95 95 LEU N N 15 123.999 0.10 . 1 . . . . 230 LEU N . 26543 1 443 . 1 1 96 96 PRO C C 13 176.155 0.50 . 1 . . . . 231 PRO C . 26543 1 444 . 1 1 96 96 PRO CA C 13 62.572 0.50 . 1 . . . . 231 PRO CA . 26543 1 445 . 1 1 96 96 PRO CB C 13 31.136 0.50 . 1 . . . . 231 PRO CB . 26543 1 446 . 1 1 97 97 VAL H H 1 8.477 0.05 . 1 . . . . 232 VAL H . 26543 1 447 . 1 1 97 97 VAL C C 13 173.931 0.50 . 1 . . . . 232 VAL C . 26543 1 448 . 1 1 97 97 VAL CA C 13 60.513 0.50 . 1 . . . . 232 VAL CA . 26543 1 449 . 1 1 97 97 VAL CB C 13 32.787 0.50 . 1 . . . . 232 VAL CB . 26543 1 450 . 1 1 97 97 VAL N N 15 121.936 0.10 . 1 . . . . 232 VAL N . 26543 1 451 . 1 1 98 98 LYS H H 1 8.394 0.05 . 1 . . . . 233 LYS H . 26543 1 452 . 1 1 98 98 LYS C C 13 175.637 0.50 . 1 . . . . 233 LYS C . 26543 1 453 . 1 1 98 98 LYS CA C 13 54.920 0.50 . 1 . . . . 233 LYS CA . 26543 1 454 . 1 1 98 98 LYS CB C 13 31.157 0.50 . 1 . . . . 233 LYS CB . 26543 1 455 . 1 1 98 98 LYS N N 15 128.967 0.10 . 1 . . . . 233 LYS N . 26543 1 456 . 1 1 99 99 LEU H H 1 8.723 0.05 . 1 . . . . 234 LEU H . 26543 1 457 . 1 1 99 99 LEU C C 13 176.118 0.50 . 1 . . . . 234 LEU C . 26543 1 458 . 1 1 99 99 LEU CA C 13 53.037 0.50 . 1 . . . . 234 LEU CA . 26543 1 459 . 1 1 99 99 LEU CB C 13 41.820 0.50 . 1 . . . . 234 LEU CB . 26543 1 460 . 1 1 99 99 LEU N N 15 128.281 0.10 . 1 . . . . 234 LEU N . 26543 1 461 . 1 1 100 100 GLU H H 1 8.955 0.05 . 1 . . . . 235 GLU H . 26543 1 462 . 1 1 100 100 GLU C C 13 174.188 0.50 . 1 . . . . 235 GLU C . 26543 1 463 . 1 1 100 100 GLU CA C 13 54.206 0.50 . 1 . . . . 235 GLU CA . 26543 1 464 . 1 1 100 100 GLU CB C 13 32.844 0.50 . 1 . . . . 235 GLU CB . 26543 1 465 . 1 1 100 100 GLU N N 15 121.999 0.10 . 1 . . . . 235 GLU N . 26543 1 466 . 1 1 102 102 VAL H H 1 9.678 0.05 . 1 . . . . 237 VAL H . 26543 1 467 . 1 1 102 102 VAL C C 13 174.966 0.50 . 1 . . . . 237 VAL C . 26543 1 468 . 1 1 102 102 VAL CA C 13 62.261 0.50 . 1 . . . . 237 VAL CA . 26543 1 469 . 1 1 102 102 VAL CB C 13 32.885 0.50 . 1 . . . . 237 VAL CB . 26543 1 470 . 1 1 102 102 VAL N N 15 127.405 0.10 . 1 . . . . 237 VAL N . 26543 1 471 . 1 1 103 103 LEU H H 1 8.941 0.05 . 1 . . . . 238 LEU H . 26543 1 472 . 1 1 103 103 LEU C C 13 173.738 0.50 . 1 . . . . 238 LEU C . 26543 1 473 . 1 1 103 103 LEU CA C 13 55.848 0.50 . 1 . . . . 238 LEU CA . 26543 1 474 . 1 1 103 103 LEU CB C 13 43.867 0.50 . 1 . . . . 238 LEU CB . 26543 1 475 . 1 1 103 103 LEU N N 15 130.062 0.10 . 1 . . . . 238 LEU N . 26543 1 476 . 1 1 104 104 TYR H H 1 7.345 0.05 . 1 . . . . 239 TYR H . 26543 1 477 . 1 1 104 104 TYR C C 13 172.147 0.50 . 1 . . . . 239 TYR C . 26543 1 478 . 1 1 104 104 TYR CA C 13 56.239 0.50 . 1 . . . . 239 TYR CA . 26543 1 479 . 1 1 104 104 TYR CB C 13 40.757 0.50 . 1 . . . . 239 TYR CB . 26543 1 480 . 1 1 104 104 TYR N N 15 114.405 0.10 . 1 . . . . 239 TYR N . 26543 1 481 . 1 1 105 105 ARG H H 1 7.125 0.05 . 1 . . . . 240 ARG H . 26543 1 482 . 1 1 105 105 ARG C C 13 173.186 0.50 . 1 . . . . 240 ARG C . 26543 1 483 . 1 1 105 105 ARG CA C 13 54.649 0.50 . 1 . . . . 240 ARG CA . 26543 1 484 . 1 1 105 105 ARG CB C 13 33.242 0.50 . 1 . . . . 240 ARG CB . 26543 1 485 . 1 1 105 105 ARG N N 15 125.780 0.10 . 1 . . . . 240 ARG N . 26543 1 486 . 1 1 106 106 LYS H H 1 7.849 0.05 . 1 . . . . 241 LYS H . 26543 1 487 . 1 1 106 106 LYS C C 13 173.308 0.50 . 1 . . . . 241 LYS C . 26543 1 488 . 1 1 106 106 LYS CA C 13 55.509 0.50 . 1 . . . . 241 LYS CA . 26543 1 489 . 1 1 106 106 LYS CB C 13 36.316 0.50 . 1 . . . . 241 LYS CB . 26543 1 490 . 1 1 106 106 LYS N N 15 119.873 0.10 . 1 . . . . 241 LYS N . 26543 1 491 . 1 1 107 107 ASN H H 1 8.668 0.05 . 1 . . . . 242 ASN H . 26543 1 492 . 1 1 107 107 ASN C C 13 175.642 0.50 . 1 . . . . 242 ASN C . 26543 1 493 . 1 1 107 107 ASN CA C 13 51.521 0.50 . 1 . . . . 242 ASN CA . 26543 1 494 . 1 1 107 107 ASN CB C 13 37.740 0.50 . 1 . . . . 242 ASN CB . 26543 1 495 . 1 1 107 107 ASN N N 15 126.655 0.10 . 1 . . . . 242 ASN N . 26543 1 496 . 1 1 108 108 VAL H H 1 8.845 0.05 . 1 . . . . 243 VAL H . 26543 1 497 . 1 1 108 108 VAL C C 13 175.739 0.50 . 1 . . . . 243 VAL C . 26543 1 498 . 1 1 108 108 VAL CA C 13 58.950 0.50 . 1 . . . . 243 VAL CA . 26543 1 499 . 1 1 108 108 VAL CB C 13 33.755 0.50 . 1 . . . . 243 VAL CB . 26543 1 500 . 1 1 108 108 VAL N N 15 118.936 0.10 . 1 . . . . 243 VAL N . 26543 1 501 . 1 1 109 109 THR H H 1 8.736 0.05 . 1 . . . . 244 THR H . 26543 1 502 . 1 1 109 109 THR C C 13 175.727 0.50 . 1 . . . . 244 THR C . 26543 1 503 . 1 1 109 109 THR CA C 13 60.018 0.50 . 1 . . . . 244 THR CA . 26543 1 504 . 1 1 109 109 THR CB C 13 71.100 0.50 . 1 . . . . 244 THR CB . 26543 1 505 . 1 1 109 109 THR N N 15 112.841 0.10 . 1 . . . . 244 THR N . 26543 1 506 . 1 1 110 110 LEU H H 1 9.118 0.05 . 1 . . . . 245 LEU H . 26543 1 507 . 1 1 110 110 LEU C C 13 178.696 0.50 . 1 . . . . 245 LEU C . 26543 1 508 . 1 1 110 110 LEU CA C 13 57.777 0.50 . 1 . . . . 245 LEU CA . 26543 1 509 . 1 1 110 110 LEU CB C 13 39.960 0.50 . 1 . . . . 245 LEU CB . 26543 1 510 . 1 1 110 110 LEU N N 15 122.249 0.10 . 1 . . . . 245 LEU N . 26543 1 511 . 1 1 111 111 ALA H H 1 8.231 0.05 . 1 . . . . 246 ALA H . 26543 1 512 . 1 1 111 111 ALA C C 13 181.690 0.50 . 1 . . . . 246 ALA C . 26543 1 513 . 1 1 111 111 ALA CA C 13 54.440 0.50 . 1 . . . . 246 ALA CA . 26543 1 514 . 1 1 111 111 ALA CB C 13 17.074 0.50 . 1 . . . . 246 ALA CB . 26543 1 515 . 1 1 111 111 ALA N N 15 120.342 0.10 . 1 . . . . 246 ALA N . 26543 1 516 . 1 1 112 112 GLU H H 1 7.576 0.05 . 1 . . . . 247 GLU H . 26543 1 517 . 1 1 112 112 GLU C C 13 179.613 0.50 . 1 . . . . 247 GLU C . 26543 1 518 . 1 1 112 112 GLU CA C 13 58.506 0.50 . 1 . . . . 247 GLU CA . 26543 1 519 . 1 1 112 112 GLU CB C 13 29.257 0.50 . 1 . . . . 247 GLU CB . 26543 1 520 . 1 1 112 112 GLU N N 15 119.717 0.10 . 1 . . . . 247 GLU N . 26543 1 521 . 1 1 113 113 LEU H H 1 8.318 0.05 . 1 . . . . 248 LEU H . 26543 1 522 . 1 1 113 113 LEU C C 13 178.953 0.50 . 1 . . . . 248 LEU C . 26543 1 523 . 1 1 113 113 LEU CA C 13 57.594 0.50 . 1 . . . . 248 LEU CA . 26543 1 524 . 1 1 113 113 LEU CB C 13 40.643 0.50 . 1 . . . . 248 LEU CB . 26543 1 525 . 1 1 113 113 LEU N N 15 123.611 0.10 . 1 . . . . 248 LEU N . 26543 1 526 . 1 1 114 114 GLU H H 1 8.422 0.05 . 1 . . . . 249 GLU H . 26543 1 527 . 1 1 114 114 GLU C C 13 179.430 0.50 . 1 . . . . 249 GLU C . 26543 1 528 . 1 1 114 114 GLU CA C 13 58.663 0.50 . 1 . . . . 249 GLU CA . 26543 1 529 . 1 1 114 114 GLU CB C 13 28.176 0.50 . 1 . . . . 249 GLU CB . 26543 1 530 . 1 1 114 114 GLU N N 15 118.811 0.10 . 1 . . . . 249 GLU N . 26543 1 531 . 1 1 115 115 ALA H H 1 7.453 0.05 . 1 . . . . 250 ALA H . 26543 1 532 . 1 1 115 115 ALA C C 13 180.309 0.50 . 1 . . . . 250 ALA C . 26543 1 533 . 1 1 115 115 ALA CA C 13 53.945 0.50 . 1 . . . . 250 ALA CA . 26543 1 534 . 1 1 115 115 ALA CB C 13 17.074 0.50 . 1 . . . . 250 ALA CB . 26543 1 535 . 1 1 115 115 ALA N N 15 121.561 0.10 . 1 . . . . 250 ALA N . 26543 1 536 . 1 1 116 116 MET H H 1 7.945 0.05 . 1 . . . . 251 MET H . 26543 1 537 . 1 1 116 116 MET C C 13 179.148 0.50 . 1 . . . . 251 MET C . 26543 1 538 . 1 1 116 116 MET CA C 13 58.376 0.50 . 1 . . . . 251 MET CA . 26543 1 539 . 1 1 116 116 MET CB C 13 31.990 0.50 . 1 . . . . 251 MET CB . 26543 1 540 . 1 1 116 116 MET N N 15 119.467 0.10 . 1 . . . . 251 MET N . 26543 1 541 . 1 1 117 117 GLY H H 1 8.026 0.05 . 1 . . . . 252 GLY H . 26543 1 542 . 1 1 117 117 GLY C C 13 173.797 0.50 . 1 . . . . 252 GLY C . 26543 1 543 . 1 1 117 117 GLY CA C 13 45.526 0.50 . 1 . . . . 252 GLY CA . 26543 1 544 . 1 1 117 117 GLY N N 15 107.059 0.10 . 1 . . . . 252 GLY N . 26543 1 545 . 1 1 118 118 GLN H H 1 7.344 0.05 . 1 . . . . 253 GLN H . 26543 1 546 . 1 1 118 118 GLN C C 13 175.373 0.50 . 1 . . . . 253 GLN C . 26543 1 547 . 1 1 118 118 GLN CA C 13 54.126 0.50 . 1 . . . . 253 GLN CA . 26543 1 548 . 1 1 118 118 GLN CB C 13 27.151 0.50 . 1 . . . . 253 GLN CB . 26543 1 549 . 1 1 118 118 GLN N N 15 119.137 0.10 . 1 . . . . 253 GLN N . 26543 1 550 . 1 1 119 119 GLN H H 1 7.876 0.05 . 1 . . . . 254 GLN H . 26543 1 551 . 1 1 119 119 GLN C C 13 174.640 0.50 . 1 . . . . 254 GLN C . 26543 1 552 . 1 1 119 119 GLN CA C 13 57.203 0.50 . 1 . . . . 254 GLN CA . 26543 1 553 . 1 1 119 119 GLN CB C 13 24.646 0.50 . 1 . . . . 254 GLN CB . 26543 1 554 . 1 1 119 119 GLN N N 15 114.341 0.10 . 1 . . . . 254 GLN N . 26543 1 555 . 1 1 120 120 GLN H H 1 7.262 0.05 . 1 . . . . 255 GLN H . 26543 1 556 . 1 1 120 120 GLN C C 13 175.752 0.50 . 1 . . . . 255 GLN C . 26543 1 557 . 1 1 120 120 GLN CA C 13 55.483 0.50 . 1 . . . . 255 GLN CA . 26543 1 558 . 1 1 120 120 GLN CB C 13 28.460 0.50 . 1 . . . . 255 GLN CB . 26543 1 559 . 1 1 120 120 GLN N N 15 117.154 0.10 . 1 . . . . 255 GLN N . 26543 1 560 . 1 1 121 121 LEU H H 1 8.245 0.05 . 1 . . . . 256 LEU H . 26543 1 561 . 1 1 121 121 LEU C C 13 176.143 0.50 . 1 . . . . 256 LEU C . 26543 1 562 . 1 1 121 121 LEU CA C 13 55.356 0.50 . 1 . . . . 256 LEU CA . 26543 1 563 . 1 1 121 121 LEU CB C 13 41.547 0.50 . 1 . . . . 256 LEU CB . 26543 1 564 . 1 1 121 121 LEU N N 15 127.562 0.10 . 1 . . . . 256 LEU N . 26543 1 565 . 1 1 122 122 LEU H H 1 8.968 0.05 . 1 . . . . 257 LEU H . 26543 1 566 . 1 1 122 122 LEU C C 13 175.440 0.50 . 1 . . . . 257 LEU C . 26543 1 567 . 1 1 122 122 LEU CA C 13 52.955 0.50 . 1 . . . . 257 LEU CA . 26543 1 568 . 1 1 122 122 LEU CB C 13 40.928 0.50 . 1 . . . . 257 LEU CB . 26543 1 569 . 1 1 122 122 LEU N N 15 131.125 0.10 . 1 . . . . 257 LEU N . 26543 1 570 . 1 1 123 123 SER H H 1 8.354 0.05 . 1 . . . . 258 SER H . 26543 1 571 . 1 1 123 123 SER CA C 13 58.793 0.50 . 1 . . . . 258 SER CA . 26543 1 572 . 1 1 123 123 SER CB C 13 62.846 0.50 . 1 . . . . 258 SER CB . 26543 1 573 . 1 1 123 123 SER N N 15 121.780 0.10 . 1 . . . . 258 SER N . 26543 1 574 . 1 1 124 124 LEU H H 1 7.658 0.05 . 1 . . . . 259 LEU H . 26543 1 575 . 1 1 124 124 LEU C C 13 174.652 0.50 . 1 . . . . 259 LEU C . 26543 1 576 . 1 1 124 124 LEU CA C 13 51.130 0.50 . 1 . . . . 259 LEU CA . 26543 1 577 . 1 1 124 124 LEU CB C 13 42.806 0.50 . 1 . . . . 259 LEU CB . 26543 1 578 . 1 1 124 124 LEU N N 15 124.436 0.10 . 1 . . . . 259 LEU N . 26543 1 579 . 1 1 125 125 PRO C C 13 177.438 0.50 . 1 . . . . 260 PRO C . 26543 1 580 . 1 1 125 125 PRO CA C 13 61.973 0.50 . 1 . . . . 260 PRO CA . 26543 1 581 . 1 1 125 125 PRO CB C 13 31.136 0.50 . 1 . . . . 260 PRO CB . 26543 1 582 . 1 1 126 126 THR H H 1 8.412 0.05 . 1 . . . . 261 THR H . 26543 1 583 . 1 1 126 126 THR C C 13 174.762 0.50 . 1 . . . . 261 THR C . 26543 1 584 . 1 1 126 126 THR CA C 13 63.876 0.50 . 1 . . . . 261 THR CA . 26543 1 585 . 1 1 126 126 THR CB C 13 68.311 0.50 . 1 . . . . 261 THR CB . 26543 1 586 . 1 1 126 126 THR N N 15 116.989 0.10 . 1 . . . . 261 THR N . 26543 1 587 . 1 1 128 128 ALA H H 1 7.453 0.05 . 1 . . . . 263 ALA H . 26543 1 588 . 1 1 128 128 ALA C C 13 179.075 0.50 . 1 . . . . 263 ALA C . 26543 1 589 . 1 1 128 128 ALA CA C 13 55.457 0.50 . 1 . . . . 263 ALA CA . 26543 1 590 . 1 1 128 128 ALA CB C 13 17.131 0.50 . 1 . . . . 263 ALA CB . 26543 1 591 . 1 1 128 128 ALA N N 15 124.249 0.10 . 1 . . . . 263 ALA N . 26543 1 592 . 1 1 129 129 GLU H H 1 8.914 0.05 . 1 . . . . 264 GLU H . 26543 1 593 . 1 1 129 129 GLU C C 13 175.251 0.50 . 1 . . . . 264 GLU C . 26543 1 594 . 1 1 129 129 GLU CA C 13 59.288 0.50 . 1 . . . . 264 GLU CA . 26543 1 595 . 1 1 129 129 GLU CB C 13 27.606 0.50 . 1 . . . . 264 GLU CB . 26543 1 596 . 1 1 129 129 GLU N N 15 115.404 0.10 . 1 . . . . 264 GLU N . 26543 1 597 . 1 1 130 130 LEU H H 1 7.644 0.05 . 1 . . . . 265 LEU H . 26543 1 598 . 1 1 130 130 LEU C C 13 175.947 0.50 . 1 . . . . 265 LEU C . 26543 1 599 . 1 1 130 130 LEU CA C 13 54.779 0.50 . 1 . . . . 265 LEU CA . 26543 1 600 . 1 1 130 130 LEU CB C 13 40.529 0.50 . 1 . . . . 265 LEU CB . 26543 1 601 . 1 1 130 130 LEU N N 15 117.029 0.10 . 1 . . . . 265 LEU N . 26543 1 602 . 1 1 131 131 ASN H H 1 7.863 0.05 . 1 . . . . 266 ASN H . 26543 1 603 . 1 1 131 131 ASN C C 13 173.748 0.50 . 1 . . . . 266 ASN C . 26543 1 604 . 1 1 131 131 ASN CA C 13 52.303 0.50 . 1 . . . . 266 ASN CA . 26543 1 605 . 1 1 131 131 ASN CB C 13 39.960 0.50 . 1 . . . . 266 ASN CB . 26543 1 606 . 1 1 131 131 ASN N N 15 120.436 0.10 . 1 . . . . 266 ASN N . 26543 1 607 . 1 1 132 132 VAL H H 1 8.572 0.05 . 1 . . . . 267 VAL H . 26543 1 608 . 1 1 132 132 VAL C C 13 176.130 0.50 . 1 . . . . 267 VAL C . 26543 1 609 . 1 1 132 132 VAL CA C 13 62.520 0.50 . 1 . . . . 267 VAL CA . 26543 1 610 . 1 1 132 132 VAL CB C 13 31.648 0.50 . 1 . . . . 267 VAL CB . 26543 1 611 . 1 1 132 132 VAL N N 15 122.436 0.10 . 1 . . . . 267 VAL N . 26543 1 612 . 1 1 133 133 GLU H H 1 8.545 0.05 . 1 . . . . 268 GLU H . 26543 1 613 . 1 1 133 133 GLU C C 13 175.422 0.50 . 1 . . . . 268 GLU C . 26543 1 614 . 1 1 133 133 GLU CA C 13 55.274 0.50 . 1 . . . . 268 GLU CA . 26543 1 615 . 1 1 133 133 GLU N N 15 125.311 0.10 . 1 . . . . 268 GLU N . 26543 1 616 . 1 1 134 134 ILE H H 1 8.368 0.05 . 1 . . . . 269 ILE H . 26543 1 617 . 1 1 134 134 ILE C C 13 174.517 0.50 . 1 . . . . 269 ILE C . 26543 1 618 . 1 1 134 134 ILE CA C 13 59.914 0.50 . 1 . . . . 269 ILE CA . 26543 1 619 . 1 1 134 134 ILE CB C 13 37.967 0.50 . 1 . . . . 269 ILE CB . 26543 1 620 . 1 1 134 134 ILE N N 15 123.092 0.10 . 1 . . . . 269 ILE N . 26543 1 621 . 1 1 135 135 MET H H 1 8.764 0.05 . 1 . . . . 270 MET H . 26543 1 622 . 1 1 135 135 MET C C 13 174.285 0.50 . 1 . . . . 270 MET C . 26543 1 623 . 1 1 135 135 MET CA C 13 52.850 0.50 . 1 . . . . 270 MET CA . 26543 1 624 . 1 1 135 135 MET CB C 13 35.406 0.50 . 1 . . . . 270 MET CB . 26543 1 625 . 1 1 135 135 MET N N 15 125.280 0.10 . 1 . . . . 270 MET N . 26543 1 626 . 1 1 136 136 ALA H H 1 8.586 0.05 . 1 . . . . 271 ALA H . 26543 1 627 . 1 1 136 136 ALA C C 13 177.450 0.50 . 1 . . . . 271 ALA C . 26543 1 628 . 1 1 136 136 ALA CA C 13 50.687 0.50 . 1 . . . . 271 ALA CA . 26543 1 629 . 1 1 136 136 ALA CB C 13 20.889 0.50 . 1 . . . . 271 ALA CB . 26543 1 630 . 1 1 136 136 ALA N N 15 121.405 0.10 . 1 . . . . 271 ALA N . 26543 1 631 . 1 1 137 137 ASN H H 1 9.542 0.05 . 1 . . . . 272 ASN H . 26543 1 632 . 1 1 137 137 ASN C C 13 174.945 0.50 . 1 . . . . 272 ASN C . 26543 1 633 . 1 1 137 137 ASN CA C 13 53.450 0.50 . 1 . . . . 272 ASN CA . 26543 1 634 . 1 1 137 137 ASN CB C 13 36.715 0.50 . 1 . . . . 272 ASN CB . 26543 1 635 . 1 1 137 137 ASN N N 15 125.374 0.10 . 1 . . . . 272 ASN N . 26543 1 636 . 1 1 138 138 GLY H H 1 8.600 0.05 . 1 . . . . 273 GLY H . 26543 1 637 . 1 1 138 138 GLY C C 13 173.405 0.50 . 1 . . . . 273 GLY C . 26543 1 638 . 1 1 138 138 GLY CA C 13 44.744 0.50 . 1 . . . . 273 GLY CA . 26543 1 639 . 1 1 138 138 GLY N N 15 103.246 0.10 . 1 . . . . 273 GLY N . 26543 1 640 . 1 1 139 139 VAL H H 1 7.685 0.05 . 1 . . . . 274 VAL H . 26543 1 641 . 1 1 139 139 VAL C C 13 175.018 0.50 . 1 . . . . 274 VAL C . 26543 1 642 . 1 1 139 139 VAL CA C 13 60.696 0.50 . 1 . . . . 274 VAL CA . 26543 1 643 . 1 1 139 139 VAL CB C 13 32.502 0.50 . 1 . . . . 274 VAL CB . 26543 1 644 . 1 1 139 139 VAL N N 15 122.655 0.10 . 1 . . . . 274 VAL N . 26543 1 645 . 1 1 140 140 LEU H H 1 8.354 0.05 . 1 . . . . 275 LEU H . 26543 1 646 . 1 1 140 140 LEU C C 13 175.107 0.50 . 1 . . . . 275 LEU C . 26543 1 647 . 1 1 140 140 LEU CA C 13 55.384 0.50 . 1 . . . . 275 LEU CA . 26543 1 648 . 1 1 140 140 LEU CB C 13 41.137 0.50 . 1 . . . . 275 LEU CB . 26543 1 649 . 1 1 140 140 LEU N N 15 128.499 0.10 . 1 . . . . 275 LEU N . 26543 1 650 . 1 1 141 141 LEU H H 1 8.955 0.05 . 1 . . . . 276 LEU H . 26543 1 651 . 1 1 141 141 LEU C C 13 176.069 0.50 . 1 . . . . 276 LEU C . 26543 1 652 . 1 1 141 141 LEU CA C 13 54.154 0.50 . 1 . . . . 276 LEU CA . 26543 1 653 . 1 1 141 141 LEU CB C 13 41.497 0.50 . 1 . . . . 276 LEU CB . 26543 1 654 . 1 1 141 141 LEU N N 15 126.780 0.10 . 1 . . . . 276 LEU N . 26543 1 655 . 1 1 142 142 GLY H H 1 7.153 0.05 . 1 . . . . 277 GLY H . 26543 1 656 . 1 1 142 142 GLY C C 13 171.011 0.50 . 1 . . . . 277 GLY C . 26543 1 657 . 1 1 142 142 GLY CA C 13 44.901 0.50 . 1 . . . . 277 GLY CA . 26543 1 658 . 1 1 142 142 GLY N N 15 102.184 0.10 . 1 . . . . 277 GLY N . 26543 1 659 . 1 1 143 143 ASN H H 1 8.886 0.05 . 1 . . . . 278 ASN H . 26543 1 660 . 1 1 143 143 ASN C C 13 175.165 0.50 . 1 . . . . 278 ASN C . 26543 1 661 . 1 1 143 143 ASN CA C 13 52.147 0.50 . 1 . . . . 278 ASN CA . 26543 1 662 . 1 1 143 143 ASN CB C 13 42.066 0.50 . 1 . . . . 278 ASN CB . 26543 1 663 . 1 1 143 143 ASN N N 15 114.904 0.10 . 1 . . . . 278 ASN N . 26543 1 664 . 1 1 144 144 GLY H H 1 8.996 0.05 . 1 . . . . 279 GLY H . 26543 1 665 . 1 1 144 144 GLY C C 13 169.398 0.50 . 1 . . . . 279 GLY C . 26543 1 666 . 1 1 144 144 GLY CA C 13 46.360 0.50 . 1 . . . . 279 GLY CA . 26543 1 667 . 1 1 144 144 GLY N N 15 108.560 0.10 . 1 . . . . 279 GLY N . 26543 1 668 . 1 1 145 145 GLU H H 1 7.753 0.05 . 1 . . . . 280 GLU H . 26543 1 669 . 1 1 145 145 GLU C C 13 175.104 0.50 . 1 . . . . 280 GLU C . 26543 1 670 . 1 1 145 145 GLU CA C 13 52.512 0.50 . 1 . . . . 280 GLU CA . 26543 1 671 . 1 1 145 145 GLU CB C 13 33.242 0.50 . 1 . . . . 280 GLU CB . 26543 1 672 . 1 1 145 145 GLU N N 15 117.967 0.10 . 1 . . . . 280 GLU N . 26543 1 673 . 1 1 146 146 LEU H H 1 8.436 0.05 . 1 . . . . 281 LEU H . 26543 1 674 . 1 1 146 146 LEU C C 13 175.984 0.50 . 1 . . . . 281 LEU C . 26543 1 675 . 1 1 146 146 LEU CA C 13 54.962 0.50 . 1 . . . . 281 LEU CA . 26543 1 676 . 1 1 146 146 LEU CB C 13 42.180 0.50 . 1 . . . . 281 LEU CB . 26543 1 677 . 1 1 146 146 LEU N N 15 126.937 0.10 . 1 . . . . 281 LEU N . 26543 1 678 . 1 1 147 147 VAL H H 1 9.064 0.05 . 1 . . . . 282 VAL H . 26543 1 679 . 1 1 147 147 VAL C C 13 173.650 0.50 . 1 . . . . 282 VAL C . 26543 1 680 . 1 1 147 147 VAL CA C 13 59.106 0.50 . 1 . . . . 282 VAL CA . 26543 1 681 . 1 1 147 147 VAL CB C 13 34.381 0.50 . 1 . . . . 282 VAL CB . 26543 1 682 . 1 1 147 147 VAL N N 15 123.624 0.10 . 1 . . . . 282 VAL N . 26543 1 683 . 1 1 148 148 GLN H H 1 8.321 0.05 . 1 . . . . 283 GLN H . 26543 1 684 . 1 1 148 148 GLN C C 13 175.312 0.50 . 1 . . . . 283 GLN C . 26543 1 685 . 1 1 148 148 GLN CA C 13 54.466 0.50 . 1 . . . . 283 GLN CA . 26543 1 686 . 1 1 148 148 GLN CB C 13 28.846 0.50 . 1 . . . . 283 GLN CB . 26543 1 687 . 1 1 148 148 GLN N N 15 122.398 0.10 . 1 . . . . 283 GLN N . 26543 1 688 . 1 1 149 149 MET H H 1 8.354 0.05 . 1 . . . . 284 MET H . 26543 1 689 . 1 1 149 149 MET C C 13 175.409 0.50 . 1 . . . . 284 MET C . 26543 1 690 . 1 1 149 149 MET CA C 13 53.476 0.50 . 1 . . . . 284 MET CA . 26543 1 691 . 1 1 149 149 MET CB C 13 31.762 0.50 . 1 . . . . 284 MET CB . 26543 1 692 . 1 1 149 149 MET N N 15 126.280 0.10 . 1 . . . . 284 MET N . 26543 1 693 . 1 1 150 150 ASN H H 1 8.968 0.05 . 1 . . . . 285 ASN H . 26543 1 694 . 1 1 150 150 ASN C C 13 174.420 0.50 . 1 . . . . 285 ASN C . 26543 1 695 . 1 1 150 150 ASN CA C 13 55.196 0.50 . 1 . . . . 285 ASN CA . 26543 1 696 . 1 1 150 150 ASN CB C 13 36.316 0.50 . 1 . . . . 285 ASN CB . 26543 1 697 . 1 1 150 150 ASN N N 15 122.499 0.10 . 1 . . . . 285 ASN N . 26543 1 698 . 1 1 151 151 ASP H H 1 8.545 0.05 . 1 . . . . 286 ASP H . 26543 1 699 . 1 1 151 151 ASP C C 13 175.031 0.50 . 1 . . . . 286 ASP C . 26543 1 700 . 1 1 151 151 ASP CA C 13 54.440 0.50 . 1 . . . . 286 ASP CA . 26543 1 701 . 1 1 151 151 ASP CB C 13 39.618 0.50 . 1 . . . . 286 ASP CB . 26543 1 702 . 1 1 151 151 ASP N N 15 118.998 0.10 . 1 . . . . 286 ASP N . 26543 1 703 . 1 1 152 152 THR H H 1 7.658 0.05 . 1 . . . . 287 THR H . 26543 1 704 . 1 1 152 152 THR C C 13 172.135 0.50 . 1 . . . . 287 THR C . 26543 1 705 . 1 1 152 152 THR CA C 13 60.357 0.50 . 1 . . . . 287 THR CA . 26543 1 706 . 1 1 152 152 THR CB C 13 70.759 0.50 . 1 . . . . 287 THR CB . 26543 1 707 . 1 1 152 152 THR N N 15 114.654 0.10 . 1 . . . . 287 THR N . 26543 1 708 . 1 1 153 153 LEU H H 1 8.531 0.05 . 1 . . . . 288 LEU H . 26543 1 709 . 1 1 153 153 LEU C C 13 175.739 0.50 . 1 . . . . 288 LEU C . 26543 1 710 . 1 1 153 153 LEU CA C 13 53.398 0.50 . 1 . . . . 288 LEU CA . 26543 1 711 . 1 1 153 153 LEU CB C 13 43.945 0.50 . 1 . . . . 288 LEU CB . 26543 1 712 . 1 1 153 153 LEU N N 15 125.249 0.10 . 1 . . . . 288 LEU N . 26543 1 713 . 1 1 154 154 GLY H H 1 8.559 0.05 . 1 . . . . 289 GLY H . 26543 1 714 . 1 1 154 154 GLY C C 13 170.778 0.50 . 1 . . . . 289 GLY C . 26543 1 715 . 1 1 154 154 GLY CA C 13 44.015 0.50 . 1 . . . . 289 GLY CA . 26543 1 716 . 1 1 154 154 GLY N N 15 108.778 0.10 . 1 . . . . 289 GLY N . 26543 1 717 . 1 1 155 155 VAL H H 1 8.613 0.05 . 1 . . . . 290 VAL H . 26543 1 718 . 1 1 155 155 VAL C C 13 174.456 0.50 . 1 . . . . 290 VAL C . 26543 1 719 . 1 1 155 155 VAL CA C 13 59.497 0.50 . 1 . . . . 290 VAL CA . 26543 1 720 . 1 1 155 155 VAL CB C 13 33.641 0.50 . 1 . . . . 290 VAL CB . 26543 1 721 . 1 1 155 155 VAL N N 15 118.311 0.10 . 1 . . . . 290 VAL N . 26543 1 722 . 1 1 156 156 GLU H H 1 9.091 0.05 . 1 . . . . 291 GLU H . 26543 1 723 . 1 1 156 156 GLU C C 13 175.695 0.50 . 1 . . . . 291 GLU C . 26543 1 724 . 1 1 156 156 GLU CA C 13 54.237 0.50 . 1 . . . . 291 GLU CA . 26543 1 725 . 1 1 156 156 GLU CB C 13 29.786 0.50 . 1 . . . . 291 GLU CB . 26543 1 726 . 1 1 156 156 GLU N N 15 129.374 0.10 . 1 . . . . 291 GLU N . 26543 1 727 . 1 1 157 157 ILE H H 1 8.886 0.05 . 1 . . . . 292 ILE H . 26543 1 728 . 1 1 157 157 ILE C C 13 177.423 0.50 . 1 . . . . 292 ILE C . 26543 1 729 . 1 1 157 157 ILE CA C 13 61.906 0.50 . 1 . . . . 292 ILE CA . 26543 1 730 . 1 1 157 157 ILE CB C 13 35.985 0.50 . 1 . . . . 292 ILE CB . 26543 1 731 . 1 1 157 157 ILE N N 15 129.468 0.10 . 1 . . . . 292 ILE N . 26543 1 732 . 1 1 158 158 HIS H H 1 9.583 0.05 . 1 . . . . 293 HIS H . 26543 1 733 . 1 1 158 158 HIS C C 13 173.503 0.50 . 1 . . . . 293 HIS C . 26543 1 734 . 1 1 158 158 HIS CA C 13 54.414 0.50 . 1 . . . . 293 HIS CA . 26543 1 735 . 1 1 158 158 HIS CB C 13 30.396 0.50 . 1 . . . . 293 HIS CB . 26543 1 736 . 1 1 158 158 HIS N N 15 127.093 0.10 . 1 . . . . 293 HIS N . 26543 1 737 . 1 1 160 160 TRP H H 1 8.825 0.05 . 1 . . . . 295 TRP H . 26543 1 738 . 1 1 160 160 TRP C C 13 175.190 0.50 . 1 . . . . 295 TRP C . 26543 1 739 . 1 1 160 160 TRP CA C 13 56.245 0.50 . 1 . . . . 295 TRP CA . 26543 1 740 . 1 1 160 160 TRP CB C 13 32.503 0.50 . 1 . . . . 295 TRP CB . 26543 1 741 . 1 1 160 160 TRP N N 15 127.065 0.10 . 1 . . . . 295 TRP N . 26543 1 742 . 1 1 161 161 LEU H H 1 7.863 0.05 . 1 . . . . 296 LEU H . 26543 1 743 . 1 1 161 161 LEU C C 13 176.002 0.50 . 1 . . . . 296 LEU C . 26543 1 744 . 1 1 161 161 LEU CA C 13 55.138 0.50 . 1 . . . . 296 LEU CA . 26543 1 745 . 1 1 161 161 LEU CB C 13 40.039 0.50 . 1 . . . . 296 LEU CB . 26543 1 746 . 1 1 161 161 LEU N N 15 128.593 0.10 . 1 . . . . 296 LEU N . 26543 1 stop_ save_