data_27488 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27488 _Entry.Title ; ASK1-TBD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-22 _Entry.Accession_date 2018-05-22 _Entry.Last_release_date 2018-05-22 _Entry.Original_release_date 2018-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Katarina Psenakova . . . . 27488 2 Vaclav Veverka . . . . 27488 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27488 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 27488 '15N chemical shifts' 120 27488 '1H chemical shifts' 468 27488 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 . . 2020-10-06 . original BMRB . 27488 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27488 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31623019 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The redox-active site of thioredoxin is directly involved in apoptosis signal-regulating kinase 1 binding that is modulated by oxidative stress ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 8 _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 1626 _Citation.Page_last 1644 _Citation.Year 2020 _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 Katarina Psenakova . . . . 27488 1 2 Rozalie Hexnerova . . . . 27488 1 3 Pavel Srb . . . . 27488 1 4 Veronika Obsilova . . . . 27488 1 5 Vaclav Veverka . . . . 27488 1 6 Tomas Obsil . . . . 27488 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27488 _Assembly.ID 1 _Assembly.Name ASK1-TBD _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 ASK1-TBD 1 $ASK1-TBD A . yes native no no . . . 27488 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASK1-TBD _Entity.Sf_category entity _Entity.Sf_framecode ASK1-TBD _Entity.Entry_ID 27488 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASK1-TBD _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 ; GAMGSSRRTTVAYVINEASQ GQLVVAESEALQSLREACET VGATLETLHFGKLDFGETTV LDRFYNADIAVVEMSDAFRQ PSLFYHLGVRESFSMANNII LYCDTNSDSLQSLKEIICQK NTMCTGNYTFVPYMITPHNK VYCCDSSFMKGLTELMQPNF ELLLGPICLPLVDRFIQLLK VAQAS ; _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 83 GLY . 27488 1 2 84 ALA . 27488 1 3 85 MET . 27488 1 4 86 GLY . 27488 1 5 87 SER . 27488 1 6 88 SER . 27488 1 7 89 ARG . 27488 1 8 90 ARG . 27488 1 9 91 THR . 27488 1 10 92 THR . 27488 1 11 93 VAL . 27488 1 12 94 ALA . 27488 1 13 95 TYR . 27488 1 14 96 VAL . 27488 1 15 97 ILE . 27488 1 16 98 ASN . 27488 1 17 99 GLU . 27488 1 18 100 ALA . 27488 1 19 101 SER . 27488 1 20 102 GLN . 27488 1 21 103 GLY . 27488 1 22 104 GLN . 27488 1 23 105 LEU . 27488 1 24 106 VAL . 27488 1 25 107 VAL . 27488 1 26 108 ALA . 27488 1 27 109 GLU . 27488 1 28 110 SER . 27488 1 29 111 GLU . 27488 1 30 112 ALA . 27488 1 31 113 LEU . 27488 1 32 114 GLN . 27488 1 33 115 SER . 27488 1 34 116 LEU . 27488 1 35 117 ARG . 27488 1 36 118 GLU . 27488 1 37 119 ALA . 27488 1 38 120 CYS . 27488 1 39 121 GLU . 27488 1 40 122 THR . 27488 1 41 123 VAL . 27488 1 42 124 GLY . 27488 1 43 125 ALA . 27488 1 44 126 THR . 27488 1 45 127 LEU . 27488 1 46 128 GLU . 27488 1 47 129 THR . 27488 1 48 130 LEU . 27488 1 49 131 HIS . 27488 1 50 132 PHE . 27488 1 51 133 GLY . 27488 1 52 134 LYS . 27488 1 53 135 LEU . 27488 1 54 136 ASP . 27488 1 55 137 PHE . 27488 1 56 138 GLY . 27488 1 57 139 GLU . 27488 1 58 140 THR . 27488 1 59 141 THR . 27488 1 60 142 VAL . 27488 1 61 143 LEU . 27488 1 62 144 ASP . 27488 1 63 145 ARG . 27488 1 64 146 PHE . 27488 1 65 147 TYR . 27488 1 66 148 ASN . 27488 1 67 149 ALA . 27488 1 68 150 ASP . 27488 1 69 151 ILE . 27488 1 70 152 ALA . 27488 1 71 153 VAL . 27488 1 72 154 VAL . 27488 1 73 155 GLU . 27488 1 74 156 MET . 27488 1 75 157 SER . 27488 1 76 158 ASP . 27488 1 77 159 ALA . 27488 1 78 160 PHE . 27488 1 79 161 ARG . 27488 1 80 162 GLN . 27488 1 81 163 PRO . 27488 1 82 164 SER . 27488 1 83 165 LEU . 27488 1 84 166 PHE . 27488 1 85 167 TYR . 27488 1 86 168 HIS . 27488 1 87 169 LEU . 27488 1 88 170 GLY . 27488 1 89 171 VAL . 27488 1 90 172 ARG . 27488 1 91 173 GLU . 27488 1 92 174 SER . 27488 1 93 175 PHE . 27488 1 94 176 SER . 27488 1 95 177 MET . 27488 1 96 178 ALA . 27488 1 97 179 ASN . 27488 1 98 180 ASN . 27488 1 99 181 ILE . 27488 1 100 182 ILE . 27488 1 101 183 LEU . 27488 1 102 184 TYR . 27488 1 103 185 CYS . 27488 1 104 186 ASP . 27488 1 105 187 THR . 27488 1 106 188 ASN . 27488 1 107 189 SER . 27488 1 108 190 ASP . 27488 1 109 191 SER . 27488 1 110 192 LEU . 27488 1 111 193 GLN . 27488 1 112 194 SER . 27488 1 113 195 LEU . 27488 1 114 196 LYS . 27488 1 115 197 GLU . 27488 1 116 198 ILE . 27488 1 117 199 ILE . 27488 1 118 200 CYS . 27488 1 119 201 GLN . 27488 1 120 202 LYS . 27488 1 121 203 ASN . 27488 1 122 204 THR . 27488 1 123 205 MET . 27488 1 124 206 CYS . 27488 1 125 207 THR . 27488 1 126 208 GLY . 27488 1 127 209 ASN . 27488 1 128 210 TYR . 27488 1 129 211 THR . 27488 1 130 212 PHE . 27488 1 131 213 VAL . 27488 1 132 214 PRO . 27488 1 133 215 TYR . 27488 1 134 216 MET . 27488 1 135 217 ILE . 27488 1 136 218 THR . 27488 1 137 219 PRO . 27488 1 138 220 HIS . 27488 1 139 221 ASN . 27488 1 140 222 LYS . 27488 1 141 223 VAL . 27488 1 142 224 TYR . 27488 1 143 225 CYS . 27488 1 144 226 CYS . 27488 1 145 227 ASP . 27488 1 146 228 SER . 27488 1 147 229 SER . 27488 1 148 230 PHE . 27488 1 149 231 MET . 27488 1 150 232 LYS . 27488 1 151 233 GLY . 27488 1 152 234 LEU . 27488 1 153 235 THR . 27488 1 154 236 GLU . 27488 1 155 237 LEU . 27488 1 156 238 MET . 27488 1 157 239 GLN . 27488 1 158 240 PRO . 27488 1 159 241 ASN . 27488 1 160 242 PHE . 27488 1 161 243 GLU . 27488 1 162 244 LEU . 27488 1 163 245 LEU . 27488 1 164 246 LEU . 27488 1 165 247 GLY . 27488 1 166 248 PRO . 27488 1 167 249 ILE . 27488 1 168 250 CYS . 27488 1 169 251 LEU . 27488 1 170 252 PRO . 27488 1 171 253 LEU . 27488 1 172 254 VAL . 27488 1 173 255 ASP . 27488 1 174 256 ARG . 27488 1 175 257 PHE . 27488 1 176 258 ILE . 27488 1 177 259 GLN . 27488 1 178 260 LEU . 27488 1 179 261 LEU . 27488 1 180 262 LYS . 27488 1 181 263 VAL . 27488 1 182 264 ALA . 27488 1 183 265 GLN . 27488 1 184 266 ALA . 27488 1 185 267 SER . 27488 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 27488 1 . ALA 2 2 27488 1 . MET 3 3 27488 1 . GLY 4 4 27488 1 . SER 5 5 27488 1 . SER 6 6 27488 1 . ARG 7 7 27488 1 . ARG 8 8 27488 1 . THR 9 9 27488 1 . THR 10 10 27488 1 . VAL 11 11 27488 1 . ALA 12 12 27488 1 . TYR 13 13 27488 1 . VAL 14 14 27488 1 . ILE 15 15 27488 1 . ASN 16 16 27488 1 . GLU 17 17 27488 1 . ALA 18 18 27488 1 . SER 19 19 27488 1 . GLN 20 20 27488 1 . GLY 21 21 27488 1 . GLN 22 22 27488 1 . LEU 23 23 27488 1 . VAL 24 24 27488 1 . VAL 25 25 27488 1 . ALA 26 26 27488 1 . GLU 27 27 27488 1 . SER 28 28 27488 1 . GLU 29 29 27488 1 . ALA 30 30 27488 1 . LEU 31 31 27488 1 . GLN 32 32 27488 1 . SER 33 33 27488 1 . LEU 34 34 27488 1 . ARG 35 35 27488 1 . GLU 36 36 27488 1 . ALA 37 37 27488 1 . CYS 38 38 27488 1 . GLU 39 39 27488 1 . THR 40 40 27488 1 . VAL 41 41 27488 1 . GLY 42 42 27488 1 . ALA 43 43 27488 1 . THR 44 44 27488 1 . LEU 45 45 27488 1 . GLU 46 46 27488 1 . THR 47 47 27488 1 . LEU 48 48 27488 1 . HIS 49 49 27488 1 . PHE 50 50 27488 1 . GLY 51 51 27488 1 . LYS 52 52 27488 1 . LEU 53 53 27488 1 . ASP 54 54 27488 1 . PHE 55 55 27488 1 . GLY 56 56 27488 1 . GLU 57 57 27488 1 . THR 58 58 27488 1 . THR 59 59 27488 1 . VAL 60 60 27488 1 . LEU 61 61 27488 1 . ASP 62 62 27488 1 . ARG 63 63 27488 1 . PHE 64 64 27488 1 . TYR 65 65 27488 1 . ASN 66 66 27488 1 . ALA 67 67 27488 1 . ASP 68 68 27488 1 . ILE 69 69 27488 1 . ALA 70 70 27488 1 . VAL 71 71 27488 1 . VAL 72 72 27488 1 . GLU 73 73 27488 1 . MET 74 74 27488 1 . SER 75 75 27488 1 . ASP 76 76 27488 1 . ALA 77 77 27488 1 . PHE 78 78 27488 1 . ARG 79 79 27488 1 . GLN 80 80 27488 1 . PRO 81 81 27488 1 . SER 82 82 27488 1 . LEU 83 83 27488 1 . PHE 84 84 27488 1 . TYR 85 85 27488 1 . HIS 86 86 27488 1 . LEU 87 87 27488 1 . GLY 88 88 27488 1 . VAL 89 89 27488 1 . ARG 90 90 27488 1 . GLU 91 91 27488 1 . SER 92 92 27488 1 . PHE 93 93 27488 1 . SER 94 94 27488 1 . MET 95 95 27488 1 . ALA 96 96 27488 1 . ASN 97 97 27488 1 . ASN 98 98 27488 1 . ILE 99 99 27488 1 . ILE 100 100 27488 1 . LEU 101 101 27488 1 . TYR 102 102 27488 1 . CYS 103 103 27488 1 . ASP 104 104 27488 1 . THR 105 105 27488 1 . ASN 106 106 27488 1 . SER 107 107 27488 1 . ASP 108 108 27488 1 . SER 109 109 27488 1 . LEU 110 110 27488 1 . GLN 111 111 27488 1 . SER 112 112 27488 1 . LEU 113 113 27488 1 . LYS 114 114 27488 1 . GLU 115 115 27488 1 . ILE 116 116 27488 1 . ILE 117 117 27488 1 . CYS 118 118 27488 1 . GLN 119 119 27488 1 . LYS 120 120 27488 1 . ASN 121 121 27488 1 . THR 122 122 27488 1 . MET 123 123 27488 1 . CYS 124 124 27488 1 . THR 125 125 27488 1 . GLY 126 126 27488 1 . ASN 127 127 27488 1 . TYR 128 128 27488 1 . THR 129 129 27488 1 . PHE 130 130 27488 1 . VAL 131 131 27488 1 . PRO 132 132 27488 1 . TYR 133 133 27488 1 . MET 134 134 27488 1 . ILE 135 135 27488 1 . THR 136 136 27488 1 . PRO 137 137 27488 1 . HIS 138 138 27488 1 . ASN 139 139 27488 1 . LYS 140 140 27488 1 . VAL 141 141 27488 1 . TYR 142 142 27488 1 . CYS 143 143 27488 1 . CYS 144 144 27488 1 . ASP 145 145 27488 1 . SER 146 146 27488 1 . SER 147 147 27488 1 . PHE 148 148 27488 1 . MET 149 149 27488 1 . LYS 150 150 27488 1 . GLY 151 151 27488 1 . LEU 152 152 27488 1 . THR 153 153 27488 1 . GLU 154 154 27488 1 . LEU 155 155 27488 1 . MET 156 156 27488 1 . GLN 157 157 27488 1 . PRO 158 158 27488 1 . ASN 159 159 27488 1 . PHE 160 160 27488 1 . GLU 161 161 27488 1 . LEU 162 162 27488 1 . LEU 163 163 27488 1 . LEU 164 164 27488 1 . GLY 165 165 27488 1 . PRO 166 166 27488 1 . ILE 167 167 27488 1 . CYS 168 168 27488 1 . LEU 169 169 27488 1 . PRO 170 170 27488 1 . LEU 171 171 27488 1 . VAL 172 172 27488 1 . ASP 173 173 27488 1 . ARG 174 174 27488 1 . PHE 175 175 27488 1 . ILE 176 176 27488 1 . GLN 177 177 27488 1 . LEU 178 178 27488 1 . LEU 179 179 27488 1 . LYS 180 180 27488 1 . VAL 181 181 27488 1 . ALA 182 182 27488 1 . GLN 183 183 27488 1 . ALA 184 184 27488 1 . SER 185 185 27488 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 27488 _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 $ASK1-TBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27488 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 27488 _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 $ASK1-TBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . N/A . . . 27488 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27488 _Sample.ID 1 _Sample.Name . _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 ASK1-TBD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $ASK1-TBD . . 300 . . uM . . . . 27488 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 27488 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.2 . M 27488 1 pH 7.0 . pH 27488 1 pressure 1 . atm 27488 1 temperature 298 . K 27488 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27488 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27488 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27488 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27488 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27488 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27488 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27488 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27488 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 850 . . . 27488 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 27488 _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 . . . . . . . . . . . . . . . . 27488 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27488 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27488 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27488 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 27488 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 27488 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27488 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27488 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 27488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27488 1 2 '3D CBCA(CO)NH' . . . 27488 1 3 '3D HNCACB' . . . 27488 1 4 '3D HNCO' . . . 27488 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA C C 13 178.002 0.150 . . . . . . . 84 ALA C . 27488 1 2 . 1 . 1 2 2 ALA CA C 13 52.704 0.150 . . . . . . . 84 ALA CA . 27488 1 3 . 1 . 1 2 2 ALA CB C 13 19.227 0.150 . . . . . . . 84 ALA CB . 27488 1 4 . 1 . 1 3 3 MET H H 1 8.567 0.015 . . . . . . . 85 MET H . 27488 1 5 . 1 . 1 3 3 MET C C 13 176.932 0.150 . . . . . . . 85 MET C . 27488 1 6 . 1 . 1 3 3 MET CA C 13 55.817 0.150 . . . . . . . 85 MET CA . 27488 1 7 . 1 . 1 3 3 MET CB C 13 32.604 0.150 . . . . . . . 85 MET CB . 27488 1 8 . 1 . 1 3 3 MET N N 15 119.967 0.150 . . . . . . . 85 MET N . 27488 1 9 . 1 . 1 4 4 GLY H H 1 8.455 0.015 . . . . . . . 86 GLY H . 27488 1 10 . 1 . 1 4 4 GLY CA C 13 45.456 0.150 . . . . . . . 86 GLY CA . 27488 1 11 . 1 . 1 4 4 GLY N N 15 110.578 0.150 . . . . . . . 86 GLY N . 27488 1 12 . 1 . 1 5 5 SER H H 1 8.243 0.015 . . . . . . . 87 SER H . 27488 1 13 . 1 . 1 5 5 SER C C 13 175.863 0.150 . . . . . . . 87 SER C . 27488 1 14 . 1 . 1 5 5 SER CA C 13 58.332 0.150 . . . . . . . 87 SER CA . 27488 1 15 . 1 . 1 5 5 SER CB C 13 64.079 0.150 . . . . . . . 87 SER CB . 27488 1 16 . 1 . 1 5 5 SER N N 15 115.681 0.150 . . . . . . . 87 SER N . 27488 1 17 . 1 . 1 6 6 SER H H 1 8.392 0.015 . . . . . . . 88 SER H . 27488 1 18 . 1 . 1 6 6 SER C C 13 174.046 0.150 . . . . . . . 88 SER C . 27488 1 19 . 1 . 1 6 6 SER CA C 13 58.456 0.150 . . . . . . . 88 SER CA . 27488 1 20 . 1 . 1 6 6 SER CB C 13 63.928 0.150 . . . . . . . 88 SER CB . 27488 1 21 . 1 . 1 6 6 SER N N 15 117.575 0.150 . . . . . . . 88 SER N . 27488 1 22 . 1 . 1 7 7 ARG H H 1 8.252 0.015 . . . . . . . 89 ARG H . 27488 1 23 . 1 . 1 7 7 ARG HB2 H 1 1.813 0.015 . . . . . . . 89 ARG QB . 27488 1 24 . 1 . 1 7 7 ARG HB3 H 1 1.813 0.015 . . . . . . . 89 ARG QB . 27488 1 25 . 1 . 1 7 7 ARG HG2 H 1 1.595 0.015 . . . . . . . 89 ARG QG . 27488 1 26 . 1 . 1 7 7 ARG HG3 H 1 1.595 0.015 . . . . . . . 89 ARG QG . 27488 1 27 . 1 . 1 7 7 ARG C C 13 175.747 0.150 . . . . . . . 89 ARG C . 27488 1 28 . 1 . 1 7 7 ARG CA C 13 55.895 0.150 . . . . . . . 89 ARG CA . 27488 1 29 . 1 . 1 7 7 ARG CB C 13 31.095 0.150 . . . . . . . 89 ARG CB . 27488 1 30 . 1 . 1 7 7 ARG N N 15 122.831 0.150 . . . . . . . 89 ARG N . 27488 1 31 . 1 . 1 8 8 ARG H H 1 8.430 0.015 . . . . . . . 90 ARG H . 27488 1 32 . 1 . 1 8 8 ARG HB2 H 1 1.843 0.015 . . . . . . . 90 ARG QB . 27488 1 33 . 1 . 1 8 8 ARG HB3 H 1 1.843 0.015 . . . . . . . 90 ARG QB . 27488 1 34 . 1 . 1 8 8 ARG HG2 H 1 1.703 0.015 . . . . . . . 90 ARG QG . 27488 1 35 . 1 . 1 8 8 ARG HG3 H 1 1.703 0.015 . . . . . . . 90 ARG QG . 27488 1 36 . 1 . 1 8 8 ARG HD2 H 1 3.135 0.015 . . . . . . . 90 ARG QD . 27488 1 37 . 1 . 1 8 8 ARG HD3 H 1 3.135 0.015 . . . . . . . 90 ARG QD . 27488 1 38 . 1 . 1 8 8 ARG C C 13 176.261 0.150 . . . . . . . 90 ARG C . 27488 1 39 . 1 . 1 8 8 ARG CA C 13 55.854 0.150 . . . . . . . 90 ARG CA . 27488 1 40 . 1 . 1 8 8 ARG CB C 13 31.259 0.150 . . . . . . . 90 ARG CB . 27488 1 41 . 1 . 1 8 8 ARG N N 15 124.393 0.150 . . . . . . . 90 ARG N . 27488 1 42 . 1 . 1 9 9 THR H H 1 8.688 0.015 . . . . . . . 91 THR H . 27488 1 43 . 1 . 1 9 9 THR HB H 1 4.468 0.015 . . . . . . . 91 THR HB . 27488 1 44 . 1 . 1 9 9 THR HG21 H 1 1.106 0.015 . . . . . . . 91 THR QG2 . 27488 1 45 . 1 . 1 9 9 THR HG22 H 1 1.106 0.015 . . . . . . . 91 THR QG2 . 27488 1 46 . 1 . 1 9 9 THR HG23 H 1 1.106 0.015 . . . . . . . 91 THR QG2 . 27488 1 47 . 1 . 1 9 9 THR C C 13 173.478 0.150 . . . . . . . 91 THR C . 27488 1 48 . 1 . 1 9 9 THR CA C 13 63.351 0.150 . . . . . . . 91 THR CA . 27488 1 49 . 1 . 1 9 9 THR CB C 13 70.344 0.150 . . . . . . . 91 THR CB . 27488 1 50 . 1 . 1 9 9 THR N N 15 122.461 0.150 . . . . . . . 91 THR N . 27488 1 51 . 1 . 1 10 10 THR H H 1 9.624 0.015 . . . . . . . 92 THR H . 27488 1 52 . 1 . 1 10 10 THR HB H 1 4.394 0.015 . . . . . . . 92 THR HB . 27488 1 53 . 1 . 1 10 10 THR HG21 H 1 1.115 0.015 . . . . . . . 92 THR QG2 . 27488 1 54 . 1 . 1 10 10 THR HG22 H 1 1.115 0.015 . . . . . . . 92 THR QG2 . 27488 1 55 . 1 . 1 10 10 THR HG23 H 1 1.115 0.015 . . . . . . . 92 THR QG2 . 27488 1 56 . 1 . 1 10 10 THR C C 13 173.312 0.150 . . . . . . . 92 THR C . 27488 1 57 . 1 . 1 10 10 THR CA C 13 60.474 0.150 . . . . . . . 92 THR CA . 27488 1 58 . 1 . 1 10 10 THR CB C 13 71.217 0.150 . . . . . . . 92 THR CB . 27488 1 59 . 1 . 1 10 10 THR N N 15 120.499 0.150 . . . . . . . 92 THR N . 27488 1 60 . 1 . 1 11 11 VAL H H 1 8.758 0.015 . . . . . . . 93 VAL H . 27488 1 61 . 1 . 1 11 11 VAL HB H 1 1.903 0.015 . . . . . . . 93 VAL HB . 27488 1 62 . 1 . 1 11 11 VAL HG11 H 1 0.689 0.015 . . . . . . . 93 VAL QG1 . 27488 1 63 . 1 . 1 11 11 VAL HG12 H 1 0.689 0.015 . . . . . . . 93 VAL QG1 . 27488 1 64 . 1 . 1 11 11 VAL HG13 H 1 0.689 0.015 . . . . . . . 93 VAL QG1 . 27488 1 65 . 1 . 1 11 11 VAL HG21 H 1 1.176 0.015 . . . . . . . 93 VAL QG2 . 27488 1 66 . 1 . 1 11 11 VAL HG22 H 1 1.176 0.015 . . . . . . . 93 VAL QG2 . 27488 1 67 . 1 . 1 11 11 VAL HG23 H 1 1.176 0.015 . . . . . . . 93 VAL QG2 . 27488 1 68 . 1 . 1 11 11 VAL C C 13 174.204 0.150 . . . . . . . 93 VAL C . 27488 1 69 . 1 . 1 11 11 VAL CA C 13 59.785 0.150 . . . . . . . 93 VAL CA . 27488 1 70 . 1 . 1 11 11 VAL CB C 13 33.685 0.150 . . . . . . . 93 VAL CB . 27488 1 71 . 1 . 1 11 11 VAL N N 15 124.777 0.150 . . . . . . . 93 VAL N . 27488 1 72 . 1 . 1 12 12 ALA HB1 H 1 1.215 0.015 . . . . . . . 94 ALA QB . 27488 1 73 . 1 . 1 12 12 ALA HB2 H 1 1.215 0.015 . . . . . . . 94 ALA QB . 27488 1 74 . 1 . 1 12 12 ALA HB3 H 1 1.215 0.015 . . . . . . . 94 ALA QB . 27488 1 75 . 1 . 1 12 12 ALA H H 1 8.984 0.015 . . . . . . . 94 ALA H . 27488 1 76 . 1 . 1 12 12 ALA C C 13 174.690 0.150 . . . . . . . 94 ALA C . 27488 1 77 . 1 . 1 12 12 ALA CA C 13 49.888 0.150 . . . . . . . 94 ALA CA . 27488 1 78 . 1 . 1 12 12 ALA CB C 13 20.892 0.150 . . . . . . . 94 ALA CB . 27488 1 79 . 1 . 1 12 12 ALA N N 15 129.326 0.150 . . . . . . . 94 ALA N . 27488 1 80 . 1 . 1 13 13 TYR H H 1 8.552 0.015 . . . . . . . 95 TYR H . 27488 1 81 . 1 . 1 13 13 TYR HB2 H 1 2.506 0.015 . . . . . . . 95 TYR QB . 27488 1 82 . 1 . 1 13 13 TYR HB3 H 1 2.506 0.015 . . . . . . . 95 TYR QB . 27488 1 83 . 1 . 1 13 13 TYR C C 13 177.817 0.150 . . . . . . . 95 TYR C . 27488 1 84 . 1 . 1 13 13 TYR CA C 13 55.823 0.150 . . . . . . . 95 TYR CA . 27488 1 85 . 1 . 1 13 13 TYR CB C 13 42.299 0.150 . . . . . . . 95 TYR CB . 27488 1 86 . 1 . 1 13 13 TYR N N 15 123.004 0.150 . . . . . . . 95 TYR N . 27488 1 87 . 1 . 1 14 14 VAL H H 1 7.923 0.015 . . . . . . . 96 VAL H . 27488 1 88 . 1 . 1 14 14 VAL C C 13 176.656 0.150 . . . . . . . 96 VAL C . 27488 1 89 . 1 . 1 14 14 VAL CA C 13 64.199 0.150 . . . . . . . 96 VAL CA . 27488 1 90 . 1 . 1 14 14 VAL CB C 13 31.982 0.150 . . . . . . . 96 VAL CB . 27488 1 91 . 1 . 1 14 14 VAL N N 15 112.423 0.150 . . . . . . . 96 VAL N . 27488 1 92 . 1 . 1 15 15 ILE H H 1 8.385 0.015 . . . . . . . 97 ILE H . 27488 1 93 . 1 . 1 15 15 ILE CA C 13 64.494 0.150 . . . . . . . 97 ILE CA . 27488 1 94 . 1 . 1 15 15 ILE N N 15 115.731 0.150 . . . . . . . 97 ILE N . 27488 1 95 . 1 . 1 17 17 GLU H H 1 9.530 0.015 . . . . . . . 99 GLU H . 27488 1 96 . 1 . 1 17 17 GLU HB2 H 1 1.988 0.015 . . . . . . . 99 GLU HB2 . 27488 1 97 . 1 . 1 17 17 GLU HB3 H 1 2.094 0.015 . . . . . . . 99 GLU HB3 . 27488 1 98 . 1 . 1 17 17 GLU HG2 H 1 2.317 0.015 . . . . . . . 99 GLU QG . 27488 1 99 . 1 . 1 17 17 GLU HG3 H 1 2.317 0.015 . . . . . . . 99 GLU QG . 27488 1 100 . 1 . 1 17 17 GLU C C 13 175.659 0.150 . . . . . . . 99 GLU C . 27488 1 101 . 1 . 1 17 17 GLU CA C 13 56.536 0.150 . . . . . . . 99 GLU CA . 27488 1 102 . 1 . 1 17 17 GLU CB C 13 30.478 0.150 . . . . . . . 99 GLU CB . 27488 1 103 . 1 . 1 17 17 GLU N N 15 125.717 0.150 . . . . . . . 99 GLU N . 27488 1 104 . 1 . 1 18 18 ALA HB1 H 1 1.350 0.015 . . . . . . . 100 ALA QB . 27488 1 105 . 1 . 1 18 18 ALA HB2 H 1 1.350 0.015 . . . . . . . 100 ALA QB . 27488 1 106 . 1 . 1 18 18 ALA HB3 H 1 1.350 0.015 . . . . . . . 100 ALA QB . 27488 1 107 . 1 . 1 18 18 ALA H H 1 8.488 0.015 . . . . . . . 100 ALA H . 27488 1 108 . 1 . 1 18 18 ALA C C 13 177.622 0.150 . . . . . . . 100 ALA C . 27488 1 109 . 1 . 1 18 18 ALA CA C 13 52.684 0.150 . . . . . . . 100 ALA CA . 27488 1 110 . 1 . 1 18 18 ALA CB C 13 19.392 0.150 . . . . . . . 100 ALA CB . 27488 1 111 . 1 . 1 18 18 ALA N N 15 124.325 0.150 . . . . . . . 100 ALA N . 27488 1 112 . 1 . 1 19 19 SER H H 1 8.233 0.015 . . . . . . . 101 SER H . 27488 1 113 . 1 . 1 19 19 SER C C 13 174.488 0.150 . . . . . . . 101 SER C . 27488 1 114 . 1 . 1 19 19 SER CA C 13 58.462 0.150 . . . . . . . 101 SER CA . 27488 1 115 . 1 . 1 19 19 SER CB C 13 64.131 0.150 . . . . . . . 101 SER CB . 27488 1 116 . 1 . 1 19 19 SER N N 15 114.528 0.150 . . . . . . . 101 SER N . 27488 1 117 . 1 . 1 20 20 GLN H H 1 8.493 0.015 . . . . . . . 102 GLN H . 27488 1 118 . 1 . 1 20 20 GLN HB2 H 1 1.967 0.015 . . . . . . . 102 GLN QB . 27488 1 119 . 1 . 1 20 20 GLN HB3 H 1 1.967 0.015 . . . . . . . 102 GLN QB . 27488 1 120 . 1 . 1 20 20 GLN C C 13 176.675 0.150 . . . . . . . 102 GLN C . 27488 1 121 . 1 . 1 20 20 GLN CA C 13 56.227 0.150 . . . . . . . 102 GLN CA . 27488 1 122 . 1 . 1 20 20 GLN CB C 13 29.529 0.150 . . . . . . . 102 GLN CB . 27488 1 123 . 1 . 1 20 20 GLN N N 15 121.536 0.150 . . . . . . . 102 GLN N . 27488 1 124 . 1 . 1 21 21 GLY H H 1 8.578 0.015 . . . . . . . 103 GLY H . 27488 1 125 . 1 . 1 21 21 GLY CA C 13 45.921 0.150 . . . . . . . 103 GLY CA . 27488 1 126 . 1 . 1 21 21 GLY N N 15 109.898 0.150 . . . . . . . 103 GLY N . 27488 1 127 . 1 . 1 25 25 VAL HB H 1 2.013 0.015 . . . . . . . 107 VAL HB . 27488 1 128 . 1 . 1 25 25 VAL C C 13 175.724 0.150 . . . . . . . 107 VAL C . 27488 1 129 . 1 . 1 25 25 VAL CA C 13 64.257 0.150 . . . . . . . 107 VAL CA . 27488 1 130 . 1 . 1 26 26 ALA HB1 H 1 1.399 0.015 . . . . . . . 108 ALA QB . 27488 1 131 . 1 . 1 26 26 ALA HB2 H 1 1.399 0.015 . . . . . . . 108 ALA QB . 27488 1 132 . 1 . 1 26 26 ALA HB3 H 1 1.399 0.015 . . . . . . . 108 ALA QB . 27488 1 133 . 1 . 1 26 26 ALA H H 1 8.243 0.015 . . . . . . . 108 ALA H . 27488 1 134 . 1 . 1 26 26 ALA C C 13 175.571 0.150 . . . . . . . 108 ALA C . 27488 1 135 . 1 . 1 26 26 ALA CA C 13 51.604 0.150 . . . . . . . 108 ALA CA . 27488 1 136 . 1 . 1 26 26 ALA CB C 13 20.002 0.150 . . . . . . . 108 ALA CB . 27488 1 137 . 1 . 1 26 26 ALA N N 15 125.725 0.150 . . . . . . . 108 ALA N . 27488 1 138 . 1 . 1 27 27 GLU H H 1 8.115 0.015 . . . . . . . 109 GLU H . 27488 1 139 . 1 . 1 27 27 GLU C C 13 176.947 0.150 . . . . . . . 109 GLU C . 27488 1 140 . 1 . 1 27 27 GLU CA C 13 54.178 0.150 . . . . . . . 109 GLU CA . 27488 1 141 . 1 . 1 27 27 GLU CB C 13 29.807 0.150 . . . . . . . 109 GLU CB . 27488 1 142 . 1 . 1 27 27 GLU N N 15 114.337 0.150 . . . . . . . 109 GLU N . 27488 1 143 . 1 . 1 29 29 GLU C C 13 179.743 0.150 . . . . . . . 111 GLU C . 27488 1 144 . 1 . 1 29 29 GLU CA C 13 59.210 0.150 . . . . . . . 111 GLU CA . 27488 1 145 . 1 . 1 30 30 ALA H H 1 8.606 0.015 . . . . . . . 112 ALA H . 27488 1 146 . 1 . 1 30 30 ALA C C 13 179.167 0.150 . . . . . . . 112 ALA C . 27488 1 147 . 1 . 1 30 30 ALA CA C 13 55.600 0.150 . . . . . . . 112 ALA CA . 27488 1 148 . 1 . 1 30 30 ALA CB C 13 16.871 0.150 . . . . . . . 112 ALA CB . 27488 1 149 . 1 . 1 30 30 ALA N N 15 123.370 0.150 . . . . . . . 112 ALA N . 27488 1 150 . 1 . 1 31 31 LEU H H 1 7.582 0.015 . . . . . . . 113 LEU H . 27488 1 151 . 1 . 1 31 31 LEU C C 13 178.158 0.150 . . . . . . . 113 LEU C . 27488 1 152 . 1 . 1 31 31 LEU CA C 13 57.534 0.150 . . . . . . . 113 LEU CA . 27488 1 153 . 1 . 1 31 31 LEU CB C 13 39.565 0.150 . . . . . . . 113 LEU CB . 27488 1 154 . 1 . 1 31 31 LEU N N 15 119.117 0.150 . . . . . . . 113 LEU N . 27488 1 155 . 1 . 1 32 32 GLN H H 1 8.122 0.015 . . . . . . . 114 GLN H . 27488 1 156 . 1 . 1 32 32 GLN HB2 H 1 2.163 0.015 . . . . . . . 114 GLN HB2 . 27488 1 157 . 1 . 1 32 32 GLN HB3 H 1 2.427 0.015 . . . . . . . 114 GLN HB3 . 27488 1 158 . 1 . 1 32 32 GLN C C 13 179.048 0.150 . . . . . . . 114 GLN C . 27488 1 159 . 1 . 1 32 32 GLN CA C 13 59.287 0.150 . . . . . . . 114 GLN CA . 27488 1 160 . 1 . 1 32 32 GLN CB C 13 27.400 0.150 . . . . . . . 114 GLN CB . 27488 1 161 . 1 . 1 32 32 GLN N N 15 119.159 0.150 . . . . . . . 114 GLN N . 27488 1 162 . 1 . 1 33 33 SER H H 1 7.985 0.015 . . . . . . . 115 SER H . 27488 1 163 . 1 . 1 33 33 SER HB2 H 1 3.550 0.015 . . . . . . . 115 SER HB2 . 27488 1 164 . 1 . 1 33 33 SER HB3 H 1 3.830 0.015 . . . . . . . 115 SER HB3 . 27488 1 165 . 1 . 1 33 33 SER C C 13 175.328 0.150 . . . . . . . 115 SER C . 27488 1 166 . 1 . 1 33 33 SER CA C 13 63.014 0.150 . . . . . . . 115 SER CA . 27488 1 167 . 1 . 1 33 33 SER N N 15 115.954 0.150 . . . . . . . 115 SER N . 27488 1 168 . 1 . 1 34 34 LEU H H 1 7.967 0.015 . . . . . . . 116 LEU H . 27488 1 169 . 1 . 1 34 34 LEU HB2 H 1 1.675 0.015 . . . . . . . 116 LEU QB . 27488 1 170 . 1 . 1 34 34 LEU HB3 H 1 1.675 0.015 . . . . . . . 116 LEU QB . 27488 1 171 . 1 . 1 34 34 LEU C C 13 178.512 0.150 . . . . . . . 116 LEU C . 27488 1 172 . 1 . 1 34 34 LEU CA C 13 57.305 0.150 . . . . . . . 116 LEU CA . 27488 1 173 . 1 . 1 34 34 LEU CB C 13 40.276 0.150 . . . . . . . 116 LEU CB . 27488 1 174 . 1 . 1 34 34 LEU N N 15 124.187 0.150 . . . . . . . 116 LEU N . 27488 1 175 . 1 . 1 34 34 LEU HD11 H 1 0.659 0.015 . . . . . . . 116 LEU QG2 . 27488 1 176 . 1 . 1 34 34 LEU HD12 H 1 0.659 0.015 . . . . . . . 116 LEU QG2 . 27488 1 177 . 1 . 1 34 34 LEU HD13 H 1 0.659 0.015 . . . . . . . 116 LEU QG2 . 27488 1 178 . 1 . 1 34 34 LEU HD21 H 1 0.361 0.015 . . . . . . . 116 LEU QG3 . 27488 1 179 . 1 . 1 34 34 LEU HD22 H 1 0.361 0.015 . . . . . . . 116 LEU QG3 . 27488 1 180 . 1 . 1 34 34 LEU HD23 H 1 0.361 0.015 . . . . . . . 116 LEU QG3 . 27488 1 181 . 1 . 1 35 35 ARG H H 1 8.843 0.015 . . . . . . . 117 ARG H . 27488 1 182 . 1 . 1 35 35 ARG HB2 H 1 1.737 0.015 . . . . . . . 117 ARG QB . 27488 1 183 . 1 . 1 35 35 ARG HB3 H 1 1.737 0.015 . . . . . . . 117 ARG QB . 27488 1 184 . 1 . 1 35 35 ARG HG2 H 1 1.605 0.015 . . . . . . . 117 ARG QG . 27488 1 185 . 1 . 1 35 35 ARG HG3 H 1 1.605 0.015 . . . . . . . 117 ARG QG . 27488 1 186 . 1 . 1 35 35 ARG C C 13 179.115 0.150 . . . . . . . 117 ARG C . 27488 1 187 . 1 . 1 35 35 ARG CA C 13 60.700 0.150 . . . . . . . 117 ARG CA . 27488 1 188 . 1 . 1 35 35 ARG CB C 13 29.491 0.150 . . . . . . . 117 ARG CB . 27488 1 189 . 1 . 1 35 35 ARG N N 15 121.736 0.150 . . . . . . . 117 ARG N . 27488 1 190 . 1 . 1 36 36 GLU H H 1 8.009 0.015 . . . . . . . 118 GLU H . 27488 1 191 . 1 . 1 36 36 GLU HB2 H 1 2.059 0.015 . . . . . . . 118 GLU HB2 . 27488 1 192 . 1 . 1 36 36 GLU HB3 H 1 2.162 0.015 . . . . . . . 118 GLU HB3 . 27488 1 193 . 1 . 1 36 36 GLU C C 13 179.769 0.150 . . . . . . . 118 GLU C . 27488 1 194 . 1 . 1 36 36 GLU CA C 13 59.362 0.150 . . . . . . . 118 GLU CA . 27488 1 195 . 1 . 1 36 36 GLU CB C 13 29.131 0.150 . . . . . . . 118 GLU CB . 27488 1 196 . 1 . 1 36 36 GLU N N 15 119.581 0.150 . . . . . . . 118 GLU N . 27488 1 197 . 1 . 1 37 37 ALA HB1 H 1 1.626 0.015 . . . . . . . 119 ALA QB . 27488 1 198 . 1 . 1 37 37 ALA HB2 H 1 1.626 0.015 . . . . . . . 119 ALA QB . 27488 1 199 . 1 . 1 37 37 ALA HB3 H 1 1.626 0.015 . . . . . . . 119 ALA QB . 27488 1 200 . 1 . 1 37 37 ALA H H 1 8.309 0.015 . . . . . . . 119 ALA H . 27488 1 201 . 1 . 1 37 37 ALA C C 13 179.221 0.150 . . . . . . . 119 ALA C . 27488 1 202 . 1 . 1 37 37 ALA CA C 13 55.745 0.150 . . . . . . . 119 ALA CA . 27488 1 203 . 1 . 1 37 37 ALA CB C 13 20.966 0.150 . . . . . . . 119 ALA CB . 27488 1 204 . 1 . 1 37 37 ALA N N 15 123.385 0.150 . . . . . . . 119 ALA N . 27488 1 205 . 1 . 1 38 38 CYS H H 1 8.609 0.015 . . . . . . . 120 CYS H . 27488 1 206 . 1 . 1 38 38 CYS HB2 H 1 2.408 0.015 . . . . . . . 120 CYS HB2 . 27488 1 207 . 1 . 1 38 38 CYS HB3 H 1 3.054 0.015 . . . . . . . 120 CYS HB3 . 27488 1 208 . 1 . 1 38 38 CYS C C 13 177.114 0.150 . . . . . . . 120 CYS C . 27488 1 209 . 1 . 1 38 38 CYS CA C 13 65.049 0.150 . . . . . . . 120 CYS CA . 27488 1 210 . 1 . 1 38 38 CYS CB C 13 25.893 0.150 . . . . . . . 120 CYS CB . 27488 1 211 . 1 . 1 38 38 CYS N N 15 114.930 0.150 . . . . . . . 120 CYS N . 27488 1 212 . 1 . 1 39 39 GLU H H 1 8.140 0.015 . . . . . . . 121 GLU H . 27488 1 213 . 1 . 1 39 39 GLU HB2 H 1 2.118 0.015 . . . . . . . 121 GLU QB . 27488 1 214 . 1 . 1 39 39 GLU HB3 H 1 2.118 0.015 . . . . . . . 121 GLU QB . 27488 1 215 . 1 . 1 39 39 GLU HG2 H 1 2.270 0.015 . . . . . . . 121 GLU QG . 27488 1 216 . 1 . 1 39 39 GLU HG3 H 1 2.270 0.015 . . . . . . . 121 GLU QG . 27488 1 217 . 1 . 1 39 39 GLU C C 13 179.249 0.150 . . . . . . . 121 GLU C . 27488 1 218 . 1 . 1 39 39 GLU CA C 13 59.105 0.150 . . . . . . . 121 GLU CA . 27488 1 219 . 1 . 1 39 39 GLU CB C 13 29.310 0.150 . . . . . . . 121 GLU CB . 27488 1 220 . 1 . 1 39 39 GLU N N 15 119.821 0.150 . . . . . . . 121 GLU N . 27488 1 221 . 1 . 1 40 40 THR H H 1 8.017 0.015 . . . . . . . 122 THR H . 27488 1 222 . 1 . 1 40 40 THR HB H 1 4.361 0.015 . . . . . . . 122 THR HB . 27488 1 223 . 1 . 1 40 40 THR C C 13 175.981 0.150 . . . . . . . 122 THR C . 27488 1 224 . 1 . 1 40 40 THR CA C 13 67.048 0.150 . . . . . . . 122 THR CA . 27488 1 225 . 1 . 1 40 40 THR CB C 13 69.017 0.150 . . . . . . . 122 THR CB . 27488 1 226 . 1 . 1 40 40 THR N N 15 116.246 0.150 . . . . . . . 122 THR N . 27488 1 227 . 1 . 1 41 41 VAL H H 1 7.626 0.015 . . . . . . . 123 VAL H . 27488 1 228 . 1 . 1 41 41 VAL HB H 1 2.439 0.015 . . . . . . . 123 VAL HB . 27488 1 229 . 1 . 1 41 41 VAL HG11 H 1 0.977 0.015 . . . . . . . 123 VAL QG1 . 27488 1 230 . 1 . 1 41 41 VAL HG12 H 1 0.977 0.015 . . . . . . . 123 VAL QG1 . 27488 1 231 . 1 . 1 41 41 VAL HG13 H 1 0.977 0.015 . . . . . . . 123 VAL QG1 . 27488 1 232 . 1 . 1 41 41 VAL HG21 H 1 1.245 0.015 . . . . . . . 123 VAL QG2 . 27488 1 233 . 1 . 1 41 41 VAL HG22 H 1 1.245 0.015 . . . . . . . 123 VAL QG2 . 27488 1 234 . 1 . 1 41 41 VAL HG23 H 1 1.245 0.015 . . . . . . . 123 VAL QG2 . 27488 1 235 . 1 . 1 41 41 VAL C C 13 176.163 0.150 . . . . . . . 123 VAL C . 27488 1 236 . 1 . 1 41 41 VAL CA C 13 61.828 0.150 . . . . . . . 123 VAL CA . 27488 1 237 . 1 . 1 41 41 VAL CB C 13 32.105 0.150 . . . . . . . 123 VAL CB . 27488 1 238 . 1 . 1 41 41 VAL N N 15 111.903 0.150 . . . . . . . 123 VAL N . 27488 1 239 . 1 . 1 42 42 GLY H H 1 7.825 0.015 . . . . . . . 124 GLY H . 27488 1 240 . 1 . 1 42 42 GLY HA2 H 1 3.858 0.015 . . . . . . . 124 GLY HA2 . 27488 1 241 . 1 . 1 42 42 GLY HA3 H 1 4.115 0.015 . . . . . . . 124 GLY HA3 . 27488 1 242 . 1 . 1 42 42 GLY C C 13 174.604 0.150 . . . . . . . 124 GLY C . 27488 1 243 . 1 . 1 42 42 GLY CA C 13 46.405 0.150 . . . . . . . 124 GLY CA . 27488 1 244 . 1 . 1 42 42 GLY N N 15 110.930 0.150 . . . . . . . 124 GLY N . 27488 1 245 . 1 . 1 43 43 ALA HB1 H 1 1.177 0.015 . . . . . . . 125 ALA QB . 27488 1 246 . 1 . 1 43 43 ALA HB2 H 1 1.177 0.015 . . . . . . . 125 ALA QB . 27488 1 247 . 1 . 1 43 43 ALA HB3 H 1 1.177 0.015 . . . . . . . 125 ALA QB . 27488 1 248 . 1 . 1 43 43 ALA H H 1 8.296 0.015 . . . . . . . 125 ALA H . 27488 1 249 . 1 . 1 43 43 ALA C C 13 176.324 0.150 . . . . . . . 125 ALA C . 27488 1 250 . 1 . 1 43 43 ALA CA C 13 50.693 0.150 . . . . . . . 125 ALA CA . 27488 1 251 . 1 . 1 43 43 ALA CB C 13 21.379 0.150 . . . . . . . 125 ALA CB . 27488 1 252 . 1 . 1 43 43 ALA N N 15 123.662 0.150 . . . . . . . 125 ALA N . 27488 1 253 . 1 . 1 44 44 THR H H 1 8.893 0.015 . . . . . . . 126 THR H . 27488 1 254 . 1 . 1 44 44 THR HB H 1 4.277 0.015 . . . . . . . 126 THR HB . 27488 1 255 . 1 . 1 44 44 THR HG1 H 1 5.019 0.015 . . . . . . . 126 THR HG1 . 27488 1 256 . 1 . 1 44 44 THR HG21 H 1 1.116 0.015 . . . . . . . 126 THR QG2 . 27488 1 257 . 1 . 1 44 44 THR HG22 H 1 1.116 0.015 . . . . . . . 126 THR QG2 . 27488 1 258 . 1 . 1 44 44 THR HG23 H 1 1.116 0.015 . . . . . . . 126 THR QG2 . 27488 1 259 . 1 . 1 44 44 THR C C 13 172.062 0.150 . . . . . . . 126 THR C . 27488 1 260 . 1 . 1 44 44 THR CA C 13 62.091 0.150 . . . . . . . 126 THR CA . 27488 1 261 . 1 . 1 44 44 THR CB C 13 70.348 0.150 . . . . . . . 126 THR CB . 27488 1 262 . 1 . 1 44 44 THR N N 15 118.332 0.150 . . . . . . . 126 THR N . 27488 1 263 . 1 . 1 45 45 LEU H H 1 8.563 0.015 . . . . . . . 127 LEU H . 27488 1 264 . 1 . 1 45 45 LEU HB2 H 1 1.545 0.015 . . . . . . . 127 LEU HB2 . 27488 1 265 . 1 . 1 45 45 LEU HB3 H 1 1.722 0.015 . . . . . . . 127 LEU HB3 . 27488 1 266 . 1 . 1 45 45 LEU HG H 1 1.152 0.015 . . . . . . . 127 LEU HG . 27488 1 267 . 1 . 1 45 45 LEU HD11 H 1 0.604 0.015 . . . . . . . 127 LEU QD1 . 27488 1 268 . 1 . 1 45 45 LEU HD12 H 1 0.604 0.015 . . . . . . . 127 LEU QD1 . 27488 1 269 . 1 . 1 45 45 LEU HD13 H 1 0.604 0.015 . . . . . . . 127 LEU QD1 . 27488 1 270 . 1 . 1 45 45 LEU C C 13 175.703 0.150 . . . . . . . 127 LEU C . 27488 1 271 . 1 . 1 45 45 LEU CA C 13 53.743 0.150 . . . . . . . 127 LEU CA . 27488 1 272 . 1 . 1 45 45 LEU CB C 13 43.160 0.150 . . . . . . . 127 LEU CB . 27488 1 273 . 1 . 1 45 45 LEU N N 15 129.068 0.150 . . . . . . . 127 LEU N . 27488 1 274 . 1 . 1 46 46 GLU H H 1 9.396 0.015 . . . . . . . 128 GLU H . 27488 1 275 . 1 . 1 46 46 GLU C C 13 174.833 0.150 . . . . . . . 128 GLU C . 27488 1 276 . 1 . 1 46 46 GLU CA C 13 54.764 0.150 . . . . . . . 128 GLU CA . 27488 1 277 . 1 . 1 46 46 GLU CB C 13 32.152 0.150 . . . . . . . 128 GLU CB . 27488 1 278 . 1 . 1 46 46 GLU N N 15 128.904 0.150 . . . . . . . 128 GLU N . 27488 1 279 . 1 . 1 47 47 THR H H 1 8.534 0.015 . . . . . . . 129 THR H . 27488 1 280 . 1 . 1 47 47 THR HB H 1 4.146 0.015 . . . . . . . 129 THR HB . 27488 1 281 . 1 . 1 47 47 THR HG1 H 1 5.306 0.015 . . . . . . . 129 THR HG1 . 27488 1 282 . 1 . 1 47 47 THR HG21 H 1 1.115 0.015 . . . . . . . 129 THR QG2 . 27488 1 283 . 1 . 1 47 47 THR HG22 H 1 1.115 0.015 . . . . . . . 129 THR QG2 . 27488 1 284 . 1 . 1 47 47 THR HG23 H 1 1.115 0.015 . . . . . . . 129 THR QG2 . 27488 1 285 . 1 . 1 47 47 THR C C 13 174.164 0.150 . . . . . . . 129 THR C . 27488 1 286 . 1 . 1 47 47 THR CA C 13 58.992 0.150 . . . . . . . 129 THR CA . 27488 1 287 . 1 . 1 47 47 THR CB C 13 70.013 0.150 . . . . . . . 129 THR CB . 27488 1 288 . 1 . 1 47 47 THR N N 15 113.475 0.150 . . . . . . . 129 THR N . 27488 1 289 . 1 . 1 48 48 LEU H H 1 8.984 0.015 . . . . . . . 130 LEU H . 27488 1 290 . 1 . 1 48 48 LEU HB2 H 1 1.516 0.015 . . . . . . . 130 LEU QB . 27488 1 291 . 1 . 1 48 48 LEU HB3 H 1 1.516 0.015 . . . . . . . 130 LEU QB . 27488 1 292 . 1 . 1 48 48 LEU HD11 H 1 0.858 0.015 . . . . . . . 130 LEU QD1 . 27488 1 293 . 1 . 1 48 48 LEU HD12 H 1 0.858 0.015 . . . . . . . 130 LEU QD1 . 27488 1 294 . 1 . 1 48 48 LEU HD13 H 1 0.858 0.015 . . . . . . . 130 LEU QD1 . 27488 1 295 . 1 . 1 48 48 LEU C C 13 175.417 0.150 . . . . . . . 130 LEU C . 27488 1 296 . 1 . 1 48 48 LEU CA C 13 52.745 0.150 . . . . . . . 130 LEU CA . 27488 1 297 . 1 . 1 48 48 LEU CB C 13 44.320 0.150 . . . . . . . 130 LEU CB . 27488 1 298 . 1 . 1 48 48 LEU N N 15 122.922 0.150 . . . . . . . 130 LEU N . 27488 1 299 . 1 . 1 49 49 HIS H H 1 8.781 0.015 . . . . . . . 131 HIS H . 27488 1 300 . 1 . 1 49 49 HIS HB2 H 1 2.890 0.015 . . . . . . . 131 HIS HB2 . 27488 1 301 . 1 . 1 49 49 HIS HB3 H 1 3.279 0.015 . . . . . . . 131 HIS HB3 . 27488 1 302 . 1 . 1 49 49 HIS C C 13 176.436 0.150 . . . . . . . 131 HIS C . 27488 1 303 . 1 . 1 49 49 HIS CA C 13 57.483 0.150 . . . . . . . 131 HIS CA . 27488 1 304 . 1 . 1 49 49 HIS CB C 13 31.414 0.150 . . . . . . . 131 HIS CB . 27488 1 305 . 1 . 1 49 49 HIS N N 15 122.361 0.150 . . . . . . . 131 HIS N . 27488 1 306 . 1 . 1 50 50 PHE H H 1 9.110 0.015 . . . . . . . 132 PHE H . 27488 1 307 . 1 . 1 50 50 PHE HB2 H 1 3.297 0.015 . . . . . . . 132 PHE QB . 27488 1 308 . 1 . 1 50 50 PHE HB3 H 1 3.297 0.015 . . . . . . . 132 PHE QB . 27488 1 309 . 1 . 1 50 50 PHE C C 13 171.495 0.150 . . . . . . . 132 PHE C . 27488 1 310 . 1 . 1 50 50 PHE CA C 13 61.630 0.150 . . . . . . . 132 PHE CA . 27488 1 311 . 1 . 1 50 50 PHE CB C 13 40.380 0.150 . . . . . . . 132 PHE CB . 27488 1 312 . 1 . 1 50 50 PHE N N 15 126.043 0.150 . . . . . . . 132 PHE N . 27488 1 313 . 1 . 1 51 51 GLY C C 13 176.085 0.150 . . . . . . . 133 GLY C . 27488 1 314 . 1 . 1 51 51 GLY CA C 13 46.818 0.150 . . . . . . . 133 GLY CA . 27488 1 315 . 1 . 1 52 52 LYS H H 1 7.284 0.015 . . . . . . . 134 LYS H . 27488 1 316 . 1 . 1 52 52 LYS HB2 H 1 1.994 0.015 . . . . . . . 134 LYS QB . 27488 1 317 . 1 . 1 52 52 LYS HB3 H 1 1.994 0.015 . . . . . . . 134 LYS QB . 27488 1 318 . 1 . 1 52 52 LYS C C 13 177.772 0.150 . . . . . . . 134 LYS C . 27488 1 319 . 1 . 1 52 52 LYS CA C 13 57.805 0.150 . . . . . . . 134 LYS CA . 27488 1 320 . 1 . 1 52 52 LYS CB C 13 33.119 0.150 . . . . . . . 134 LYS CB . 27488 1 321 . 1 . 1 52 52 LYS N N 15 118.758 0.150 . . . . . . . 134 LYS N . 27488 1 322 . 1 . 1 53 53 LEU H H 1 7.440 0.015 . . . . . . . 135 LEU H . 27488 1 323 . 1 . 1 53 53 LEU HB2 H 1 1.654 0.015 . . . . . . . 135 LEU QB . 27488 1 324 . 1 . 1 53 53 LEU HB3 H 1 1.654 0.015 . . . . . . . 135 LEU QB . 27488 1 325 . 1 . 1 53 53 LEU HD11 H 1 0.990 0.015 . . . . . . . 135 LEU QD1 . 27488 1 326 . 1 . 1 53 53 LEU HD12 H 1 0.990 0.015 . . . . . . . 135 LEU QD1 . 27488 1 327 . 1 . 1 53 53 LEU HD13 H 1 0.990 0.015 . . . . . . . 135 LEU QD1 . 27488 1 328 . 1 . 1 53 53 LEU HD21 H 1 1.224 0.015 . . . . . . . 135 LEU QD2 . 27488 1 329 . 1 . 1 53 53 LEU HD22 H 1 1.224 0.015 . . . . . . . 135 LEU QD2 . 27488 1 330 . 1 . 1 53 53 LEU HD23 H 1 1.224 0.015 . . . . . . . 135 LEU QD2 . 27488 1 331 . 1 . 1 53 53 LEU C C 13 177.889 0.150 . . . . . . . 135 LEU C . 27488 1 332 . 1 . 1 53 53 LEU CA C 13 57.562 0.150 . . . . . . . 135 LEU CA . 27488 1 333 . 1 . 1 53 53 LEU CB C 13 41.480 0.150 . . . . . . . 135 LEU CB . 27488 1 334 . 1 . 1 53 53 LEU N N 15 121.764 0.150 . . . . . . . 135 LEU N . 27488 1 335 . 1 . 1 54 54 ASP H H 1 8.253 0.015 . . . . . . . 136 ASP H . 27488 1 336 . 1 . 1 54 54 ASP HB2 H 1 1.885 0.015 . . . . . . . 136 ASP HB2 . 27488 1 337 . 1 . 1 54 54 ASP HB3 H 1 2.280 0.015 . . . . . . . 136 ASP HB3 . 27488 1 338 . 1 . 1 54 54 ASP C C 13 177.275 0.150 . . . . . . . 136 ASP C . 27488 1 339 . 1 . 1 54 54 ASP CA C 13 55.988 0.150 . . . . . . . 136 ASP CA . 27488 1 340 . 1 . 1 54 54 ASP CB C 13 41.825 0.150 . . . . . . . 136 ASP CB . 27488 1 341 . 1 . 1 54 54 ASP N N 15 117.759 0.150 . . . . . . . 136 ASP N . 27488 1 342 . 1 . 1 55 55 PHE H H 1 7.667 0.015 . . . . . . . 137 PHE H . 27488 1 343 . 1 . 1 55 55 PHE HB2 H 1 3.079 0.015 . . . . . . . 137 PHE HB2 . 27488 1 344 . 1 . 1 55 55 PHE HB3 H 1 3.259 0.015 . . . . . . . 137 PHE HB3 . 27488 1 345 . 1 . 1 55 55 PHE C C 13 176.327 0.150 . . . . . . . 137 PHE C . 27488 1 346 . 1 . 1 55 55 PHE CA C 13 58.616 0.150 . . . . . . . 137 PHE CA . 27488 1 347 . 1 . 1 55 55 PHE CB C 13 39.395 0.150 . . . . . . . 137 PHE CB . 27488 1 348 . 1 . 1 55 55 PHE N N 15 116.479 0.150 . . . . . . . 137 PHE N . 27488 1 349 . 1 . 1 56 56 GLY H H 1 7.750 0.015 . . . . . . . 138 GLY H . 27488 1 350 . 1 . 1 56 56 GLY HA2 H 1 3.664 0.015 . . . . . . . 138 GLY HA2 . 27488 1 351 . 1 . 1 56 56 GLY HA3 H 1 4.023 0.015 . . . . . . . 138 GLY HA3 . 27488 1 352 . 1 . 1 56 56 GLY C C 13 174.455 0.150 . . . . . . . 138 GLY C . 27488 1 353 . 1 . 1 56 56 GLY CA C 13 45.738 0.150 . . . . . . . 138 GLY CA . 27488 1 354 . 1 . 1 56 56 GLY N N 15 107.249 0.150 . . . . . . . 138 GLY N . 27488 1 355 . 1 . 1 57 57 GLU H H 1 7.872 0.015 . . . . . . . 139 GLU H . 27488 1 356 . 1 . 1 57 57 GLU HB2 H 1 1.989 0.015 . . . . . . . 139 GLU HB2 . 27488 1 357 . 1 . 1 57 57 GLU HB3 H 1 2.067 0.015 . . . . . . . 139 GLU HB3 . 27488 1 358 . 1 . 1 57 57 GLU HG2 H 1 2.398 0.015 . . . . . . . 139 GLU QG . 27488 1 359 . 1 . 1 57 57 GLU HG3 H 1 2.398 0.015 . . . . . . . 139 GLU QG . 27488 1 360 . 1 . 1 57 57 GLU C C 13 178.230 0.150 . . . . . . . 139 GLU C . 27488 1 361 . 1 . 1 57 57 GLU CA C 13 57.536 0.150 . . . . . . . 139 GLU CA . 27488 1 362 . 1 . 1 57 57 GLU CB C 13 29.619 0.150 . . . . . . . 139 GLU CB . 27488 1 363 . 1 . 1 57 57 GLU N N 15 122.008 0.150 . . . . . . . 139 GLU N . 27488 1 364 . 1 . 1 58 58 THR H H 1 8.468 0.015 . . . . . . . 140 THR H . 27488 1 365 . 1 . 1 58 58 THR HB H 1 4.364 0.015 . . . . . . . 140 THR HB . 27488 1 366 . 1 . 1 58 58 THR C C 13 176.096 0.150 . . . . . . . 140 THR C . 27488 1 367 . 1 . 1 58 58 THR CA C 13 66.621 0.150 . . . . . . . 140 THR CA . 27488 1 368 . 1 . 1 58 58 THR CB C 13 68.991 0.150 . . . . . . . 140 THR CB . 27488 1 369 . 1 . 1 58 58 THR N N 15 121.473 0.150 . . . . . . . 140 THR N . 27488 1 370 . 1 . 1 59 59 THR H H 1 8.335 0.015 . . . . . . . 141 THR H . 27488 1 371 . 1 . 1 59 59 THR HB H 1 4.255 0.015 . . . . . . . 141 THR HB . 27488 1 372 . 1 . 1 59 59 THR C C 13 176.723 0.150 . . . . . . . 141 THR C . 27488 1 373 . 1 . 1 59 59 THR CA C 13 65.050 0.150 . . . . . . . 141 THR CA . 27488 1 374 . 1 . 1 59 59 THR CB C 13 68.629 0.150 . . . . . . . 141 THR CB . 27488 1 375 . 1 . 1 59 59 THR N N 15 113.859 0.150 . . . . . . . 141 THR N . 27488 1 376 . 1 . 1 60 60 VAL H H 1 7.334 0.015 . . . . . . . 142 VAL H . 27488 1 377 . 1 . 1 60 60 VAL HB H 1 2.001 0.015 . . . . . . . 142 VAL HB . 27488 1 378 . 1 . 1 60 60 VAL HG11 H 1 0.825 0.015 . . . . . . . 142 VAL QG1 . 27488 1 379 . 1 . 1 60 60 VAL HG12 H 1 0.825 0.015 . . . . . . . 142 VAL QG1 . 27488 1 380 . 1 . 1 60 60 VAL HG13 H 1 0.825 0.015 . . . . . . . 142 VAL QG1 . 27488 1 381 . 1 . 1 60 60 VAL HG21 H 1 1.005 0.015 . . . . . . . 142 VAL QG2 . 27488 1 382 . 1 . 1 60 60 VAL HG22 H 1 1.005 0.015 . . . . . . . 142 VAL QG2 . 27488 1 383 . 1 . 1 60 60 VAL HG23 H 1 1.005 0.015 . . . . . . . 142 VAL QG2 . 27488 1 384 . 1 . 1 60 60 VAL C C 13 177.073 0.150 . . . . . . . 142 VAL C . 27488 1 385 . 1 . 1 60 60 VAL CA C 13 65.938 0.150 . . . . . . . 142 VAL CA . 27488 1 386 . 1 . 1 60 60 VAL CB C 13 31.791 0.150 . . . . . . . 142 VAL CB . 27488 1 387 . 1 . 1 60 60 VAL N N 15 122.567 0.150 . . . . . . . 142 VAL N . 27488 1 388 . 1 . 1 61 61 LEU H H 1 7.761 0.015 . . . . . . . 143 LEU H . 27488 1 389 . 1 . 1 61 61 LEU HB2 H 1 1.377 0.015 . . . . . . . 143 LEU QB . 27488 1 390 . 1 . 1 61 61 LEU HB3 H 1 1.377 0.015 . . . . . . . 143 LEU QB . 27488 1 391 . 1 . 1 61 61 LEU HG H 1 1.613 0.015 . . . . . . . 143 LEU HG . 27488 1 392 . 1 . 1 61 61 LEU HD11 H 1 0.849 0.015 . . . . . . . 143 LEU QD1 . 27488 1 393 . 1 . 1 61 61 LEU HD12 H 1 0.849 0.015 . . . . . . . 143 LEU QD1 . 27488 1 394 . 1 . 1 61 61 LEU HD13 H 1 0.849 0.015 . . . . . . . 143 LEU QD1 . 27488 1 395 . 1 . 1 61 61 LEU HD21 H 1 0.603 0.015 . . . . . . . 143 LEU QD2 . 27488 1 396 . 1 . 1 61 61 LEU HD22 H 1 0.603 0.015 . . . . . . . 143 LEU QD2 . 27488 1 397 . 1 . 1 61 61 LEU HD23 H 1 0.603 0.015 . . . . . . . 143 LEU QD2 . 27488 1 398 . 1 . 1 61 61 LEU C C 13 177.521 0.150 . . . . . . . 143 LEU C . 27488 1 399 . 1 . 1 61 61 LEU CA C 13 58.124 0.150 . . . . . . . 143 LEU CA . 27488 1 400 . 1 . 1 61 61 LEU CB C 13 40.662 0.150 . . . . . . . 143 LEU CB . 27488 1 401 . 1 . 1 61 61 LEU N N 15 119.808 0.150 . . . . . . . 143 LEU N . 27488 1 402 . 1 . 1 62 62 ASP H H 1 7.952 0.015 . . . . . . . 144 ASP H . 27488 1 403 . 1 . 1 62 62 ASP HB2 H 1 2.598 0.015 . . . . . . . 144 ASP HB2 . 27488 1 404 . 1 . 1 62 62 ASP HB3 H 1 2.708 0.015 . . . . . . . 144 ASP HB3 . 27488 1 405 . 1 . 1 62 62 ASP C C 13 179.067 0.150 . . . . . . . 144 ASP C . 27488 1 406 . 1 . 1 62 62 ASP CA C 13 57.769 0.150 . . . . . . . 144 ASP CA . 27488 1 407 . 1 . 1 62 62 ASP CB C 13 41.141 0.150 . . . . . . . 144 ASP CB . 27488 1 408 . 1 . 1 62 62 ASP N N 15 116.067 0.150 . . . . . . . 144 ASP N . 27488 1 409 . 1 . 1 63 63 ARG H H 1 7.370 0.015 . . . . . . . 145 ARG H . 27488 1 410 . 1 . 1 63 63 ARG HB2 H 1 1.860 0.015 . . . . . . . 145 ARG QB . 27488 1 411 . 1 . 1 63 63 ARG HB3 H 1 1.860 0.015 . . . . . . . 145 ARG QB . 27488 1 412 . 1 . 1 63 63 ARG C C 13 178.493 0.150 . . . . . . . 145 ARG C . 27488 1 413 . 1 . 1 63 63 ARG CA C 13 57.984 0.150 . . . . . . . 145 ARG CA . 27488 1 414 . 1 . 1 63 63 ARG CB C 13 29.831 0.150 . . . . . . . 145 ARG CB . 27488 1 415 . 1 . 1 63 63 ARG N N 15 116.005 0.150 . . . . . . . 145 ARG N . 27488 1 416 . 1 . 1 64 64 PHE H H 1 7.974 0.015 . . . . . . . 146 PHE H . 27488 1 417 . 1 . 1 64 64 PHE C C 13 176.803 0.150 . . . . . . . 146 PHE C . 27488 1 418 . 1 . 1 64 64 PHE CA C 13 61.921 0.150 . . . . . . . 146 PHE CA . 27488 1 419 . 1 . 1 64 64 PHE CB C 13 39.355 0.150 . . . . . . . 146 PHE CB . 27488 1 420 . 1 . 1 64 64 PHE N N 15 119.627 0.150 . . . . . . . 146 PHE N . 27488 1 421 . 1 . 1 65 65 TYR H H 1 8.762 0.015 . . . . . . . 147 TYR H . 27488 1 422 . 1 . 1 65 65 TYR HB2 H 1 2.857 0.015 . . . . . . . 147 TYR HB2 . 27488 1 423 . 1 . 1 65 65 TYR HB3 H 1 2.968 0.015 . . . . . . . 147 TYR HB3 . 27488 1 424 . 1 . 1 65 65 TYR C C 13 175.983 0.150 . . . . . . . 147 TYR C . 27488 1 425 . 1 . 1 65 65 TYR CA C 13 57.242 0.150 . . . . . . . 147 TYR CA . 27488 1 426 . 1 . 1 65 65 TYR CB C 13 36.511 0.150 . . . . . . . 147 TYR CB . 27488 1 427 . 1 . 1 65 65 TYR N N 15 115.569 0.150 . . . . . . . 147 TYR N . 27488 1 428 . 1 . 1 66 66 ASN H H 1 7.396 0.015 . . . . . . . 148 ASN H . 27488 1 429 . 1 . 1 66 66 ASN HB2 H 1 2.871 0.015 . . . . . . . 148 ASN QB . 27488 1 430 . 1 . 1 66 66 ASN HB3 H 1 2.871 0.015 . . . . . . . 148 ASN QB . 27488 1 431 . 1 . 1 66 66 ASN C C 13 175.558 0.150 . . . . . . . 148 ASN C . 27488 1 432 . 1 . 1 66 66 ASN CA C 13 53.408 0.150 . . . . . . . 148 ASN CA . 27488 1 433 . 1 . 1 66 66 ASN CB C 13 40.227 0.150 . . . . . . . 148 ASN CB . 27488 1 434 . 1 . 1 66 66 ASN N N 15 110.255 0.150 . . . . . . . 148 ASN N . 27488 1 435 . 1 . 1 67 67 ALA HB1 H 1 1.212 0.015 . . . . . . . 149 ALA QB . 27488 1 436 . 1 . 1 67 67 ALA HB2 H 1 1.212 0.015 . . . . . . . 149 ALA QB . 27488 1 437 . 1 . 1 67 67 ALA HB3 H 1 1.212 0.015 . . . . . . . 149 ALA QB . 27488 1 438 . 1 . 1 67 67 ALA H H 1 6.927 0.015 . . . . . . . 149 ALA H . 27488 1 439 . 1 . 1 67 67 ALA C C 13 177.841 0.150 . . . . . . . 149 ALA C . 27488 1 440 . 1 . 1 67 67 ALA CA C 13 52.673 0.150 . . . . . . . 149 ALA CA . 27488 1 441 . 1 . 1 67 67 ALA CB C 13 18.842 0.150 . . . . . . . 149 ALA CB . 27488 1 442 . 1 . 1 67 67 ALA N N 15 123.272 0.150 . . . . . . . 149 ALA N . 27488 1 443 . 1 . 1 68 68 ASP H H 1 8.581 0.015 . . . . . . . 150 ASP H . 27488 1 444 . 1 . 1 68 68 ASP HB2 H 1 2.659 0.015 . . . . . . . 150 ASP QB . 27488 1 445 . 1 . 1 68 68 ASP HB3 H 1 2.659 0.015 . . . . . . . 150 ASP QB . 27488 1 446 . 1 . 1 68 68 ASP C C 13 177.008 0.150 . . . . . . . 150 ASP C . 27488 1 447 . 1 . 1 68 68 ASP CA C 13 58.832 0.150 . . . . . . . 150 ASP CA . 27488 1 448 . 1 . 1 68 68 ASP CB C 13 41.380 0.150 . . . . . . . 150 ASP CB . 27488 1 449 . 1 . 1 68 68 ASP N N 15 123.072 0.150 . . . . . . . 150 ASP N . 27488 1 450 . 1 . 1 69 69 ILE H H 1 8.048 0.015 . . . . . . . 151 ILE H . 27488 1 451 . 1 . 1 69 69 ILE HB H 1 1.605 0.015 . . . . . . . 151 ILE HB . 27488 1 452 . 1 . 1 69 69 ILE HG21 H 1 0.694 0.015 . . . . . . . 151 ILE QG2 . 27488 1 453 . 1 . 1 69 69 ILE HG22 H 1 0.694 0.015 . . . . . . . 151 ILE QG2 . 27488 1 454 . 1 . 1 69 69 ILE HG23 H 1 0.694 0.015 . . . . . . . 151 ILE QG2 . 27488 1 455 . 1 . 1 69 69 ILE C C 13 172.968 0.150 . . . . . . . 151 ILE C . 27488 1 456 . 1 . 1 69 69 ILE CA C 13 59.882 0.150 . . . . . . . 151 ILE CA . 27488 1 457 . 1 . 1 69 69 ILE CB C 13 41.861 0.150 . . . . . . . 151 ILE CB . 27488 1 458 . 1 . 1 69 69 ILE N N 15 116.640 0.150 . . . . . . . 151 ILE N . 27488 1 459 . 1 . 1 70 70 ALA HB1 H 1 0.903 0.015 . . . . . . . 152 ALA QB . 27488 1 460 . 1 . 1 70 70 ALA HB2 H 1 0.903 0.015 . . . . . . . 152 ALA QB . 27488 1 461 . 1 . 1 70 70 ALA HB3 H 1 0.903 0.015 . . . . . . . 152 ALA QB . 27488 1 462 . 1 . 1 70 70 ALA H H 1 8.065 0.015 . . . . . . . 152 ALA H . 27488 1 463 . 1 . 1 70 70 ALA C C 13 174.828 0.150 . . . . . . . 152 ALA C . 27488 1 464 . 1 . 1 70 70 ALA CA C 13 50.013 0.150 . . . . . . . 152 ALA CA . 27488 1 465 . 1 . 1 70 70 ALA CB C 13 21.331 0.150 . . . . . . . 152 ALA CB . 27488 1 466 . 1 . 1 70 70 ALA N N 15 128.958 0.150 . . . . . . . 152 ALA N . 27488 1 467 . 1 . 1 71 71 VAL H H 1 9.093 0.015 . . . . . . . 153 VAL H . 27488 1 468 . 1 . 1 71 71 VAL HB H 1 2.039 0.015 . . . . . . . 153 VAL HB . 27488 1 469 . 1 . 1 71 71 VAL HG11 H 1 0.715 0.015 . . . . . . . 153 VAL QG1 . 27488 1 470 . 1 . 1 71 71 VAL HG12 H 1 0.715 0.015 . . . . . . . 153 VAL QG1 . 27488 1 471 . 1 . 1 71 71 VAL HG13 H 1 0.715 0.015 . . . . . . . 153 VAL QG1 . 27488 1 472 . 1 . 1 71 71 VAL HG21 H 1 0.908 0.015 . . . . . . . 153 VAL QG2 . 27488 1 473 . 1 . 1 71 71 VAL HG22 H 1 0.908 0.015 . . . . . . . 153 VAL QG2 . 27488 1 474 . 1 . 1 71 71 VAL HG23 H 1 0.908 0.015 . . . . . . . 153 VAL QG2 . 27488 1 475 . 1 . 1 71 71 VAL C C 13 174.364 0.150 . . . . . . . 153 VAL C . 27488 1 476 . 1 . 1 71 71 VAL CA C 13 60.997 0.150 . . . . . . . 153 VAL CA . 27488 1 477 . 1 . 1 71 71 VAL CB C 13 33.514 0.150 . . . . . . . 153 VAL CB . 27488 1 478 . 1 . 1 71 71 VAL N N 15 122.017 0.150 . . . . . . . 153 VAL N . 27488 1 479 . 1 . 1 81 81 PRO CA C 13 63.754 0.150 . . . . . . . 163 PRO CA . 27488 1 480 . 1 . 1 81 81 PRO CB C 13 32.541 0.150 . . . . . . . 163 PRO CB . 27488 1 481 . 1 . 1 82 82 SER H H 1 8.225 0.015 . . . . . . . 164 SER H . 27488 1 482 . 1 . 1 82 82 SER CA C 13 61.462 0.150 . . . . . . . 164 SER CA . 27488 1 483 . 1 . 1 82 82 SER N N 15 125.073 0.150 . . . . . . . 164 SER N . 27488 1 484 . 1 . 1 85 85 TYR C C 13 178.166 0.150 . . . . . . . 167 TYR C . 27488 1 485 . 1 . 1 85 85 TYR CA C 13 61.856 0.150 . . . . . . . 167 TYR CA . 27488 1 486 . 1 . 1 85 85 TYR CB C 13 37.150 0.150 . . . . . . . 167 TYR CB . 27488 1 487 . 1 . 1 86 86 HIS H H 1 8.072 0.015 . . . . . . . 168 HIS H . 27488 1 488 . 1 . 1 86 86 HIS HB2 H 1 3.198 0.015 . . . . . . . 168 HIS QB . 27488 1 489 . 1 . 1 86 86 HIS HB3 H 1 3.198 0.015 . . . . . . . 168 HIS QB . 27488 1 490 . 1 . 1 86 86 HIS C C 13 179.390 0.150 . . . . . . . 168 HIS C . 27488 1 491 . 1 . 1 86 86 HIS CA C 13 61.185 0.150 . . . . . . . 168 HIS CA . 27488 1 492 . 1 . 1 86 86 HIS CB C 13 31.045 0.150 . . . . . . . 168 HIS CB . 27488 1 493 . 1 . 1 86 86 HIS N N 15 118.915 0.150 . . . . . . . 168 HIS N . 27488 1 494 . 1 . 1 87 87 LEU H H 1 8.734 0.015 . . . . . . . 169 LEU H . 27488 1 495 . 1 . 1 87 87 LEU C C 13 178.710 0.150 . . . . . . . 169 LEU C . 27488 1 496 . 1 . 1 87 87 LEU CA C 13 58.579 0.150 . . . . . . . 169 LEU CA . 27488 1 497 . 1 . 1 87 87 LEU CB C 13 41.996 0.150 . . . . . . . 169 LEU CB . 27488 1 498 . 1 . 1 87 87 LEU N N 15 120.857 0.150 . . . . . . . 169 LEU N . 27488 1 499 . 1 . 1 88 88 GLY H H 1 8.164 0.015 . . . . . . . 170 GLY H . 27488 1 500 . 1 . 1 88 88 GLY HA2 H 1 3.945 0.015 . . . . . . . 170 GLY QA . 27488 1 501 . 1 . 1 88 88 GLY HA3 H 1 3.945 0.015 . . . . . . . 170 GLY QA . 27488 1 502 . 1 . 1 88 88 GLY C C 13 177.407 0.150 . . . . . . . 170 GLY C . 27488 1 503 . 1 . 1 88 88 GLY CA C 13 46.981 0.150 . . . . . . . 170 GLY CA . 27488 1 504 . 1 . 1 88 88 GLY N N 15 107.609 0.150 . . . . . . . 170 GLY N . 27488 1 505 . 1 . 1 89 89 VAL H H 1 7.679 0.015 . . . . . . . 171 VAL H . 27488 1 506 . 1 . 1 89 89 VAL HB H 1 1.965 0.015 . . . . . . . 171 VAL HB . 27488 1 507 . 1 . 1 89 89 VAL HG11 H 1 0.502 0.015 . . . . . . . 171 VAL QG1 . 27488 1 508 . 1 . 1 89 89 VAL HG12 H 1 0.502 0.015 . . . . . . . 171 VAL QG1 . 27488 1 509 . 1 . 1 89 89 VAL HG13 H 1 0.502 0.015 . . . . . . . 171 VAL QG1 . 27488 1 510 . 1 . 1 89 89 VAL C C 13 179.585 0.150 . . . . . . . 171 VAL C . 27488 1 511 . 1 . 1 89 89 VAL CA C 13 66.332 0.150 . . . . . . . 171 VAL CA . 27488 1 512 . 1 . 1 89 89 VAL CB C 13 30.778 0.150 . . . . . . . 171 VAL CB . 27488 1 513 . 1 . 1 89 89 VAL N N 15 124.616 0.150 . . . . . . . 171 VAL N . 27488 1 514 . 1 . 1 90 90 ARG H H 1 7.732 0.015 . . . . . . . 172 ARG H . 27488 1 515 . 1 . 1 90 90 ARG HD2 H 1 3.324 0.015 . . . . . . . 172 ARG QD . 27488 1 516 . 1 . 1 90 90 ARG HD3 H 1 3.324 0.015 . . . . . . . 172 ARG QD . 27488 1 517 . 1 . 1 90 90 ARG C C 13 178.712 0.150 . . . . . . . 172 ARG C . 27488 1 518 . 1 . 1 90 90 ARG CA C 13 60.835 0.150 . . . . . . . 172 ARG CA . 27488 1 519 . 1 . 1 90 90 ARG N N 15 120.379 0.150 . . . . . . . 172 ARG N . 27488 1 520 . 1 . 1 91 91 GLU H H 1 8.214 0.015 . . . . . . . 173 GLU H . 27488 1 521 . 1 . 1 91 91 GLU HB2 H 1 2.226 0.015 . . . . . . . 173 GLU QB . 27488 1 522 . 1 . 1 91 91 GLU HB3 H 1 2.226 0.015 . . . . . . . 173 GLU QB . 27488 1 523 . 1 . 1 91 91 GLU HG2 H 1 2.520 0.015 . . . . . . . 173 GLU QG . 27488 1 524 . 1 . 1 91 91 GLU HG3 H 1 2.520 0.015 . . . . . . . 173 GLU QG . 27488 1 525 . 1 . 1 91 91 GLU C C 13 179.948 0.150 . . . . . . . 173 GLU C . 27488 1 526 . 1 . 1 91 91 GLU CA C 13 59.927 0.150 . . . . . . . 173 GLU CA . 27488 1 527 . 1 . 1 91 91 GLU N N 15 118.926 0.150 . . . . . . . 173 GLU N . 27488 1 528 . 1 . 1 92 92 SER H H 1 8.072 0.015 . . . . . . . 174 SER H . 27488 1 529 . 1 . 1 92 92 SER HB2 H 1 3.819 0.015 . . . . . . . 174 SER QB . 27488 1 530 . 1 . 1 92 92 SER HB3 H 1 3.819 0.015 . . . . . . . 174 SER QB . 27488 1 531 . 1 . 1 92 92 SER C C 13 175.027 0.150 . . . . . . . 174 SER C . 27488 1 532 . 1 . 1 92 92 SER CA C 13 61.157 0.150 . . . . . . . 174 SER CA . 27488 1 533 . 1 . 1 92 92 SER CB C 13 62.734 0.150 . . . . . . . 174 SER CB . 27488 1 534 . 1 . 1 92 92 SER N N 15 118.087 0.150 . . . . . . . 174 SER N . 27488 1 535 . 1 . 1 93 93 PHE H H 1 7.619 0.015 . . . . . . . 175 PHE H . 27488 1 536 . 1 . 1 93 93 PHE HB2 H 1 2.976 0.015 . . . . . . . 175 PHE QB . 27488 1 537 . 1 . 1 93 93 PHE HB3 H 1 2.976 0.015 . . . . . . . 175 PHE QB . 27488 1 538 . 1 . 1 93 93 PHE HD1 H 1 7.105 0.015 . . . . . . . 175 PHE QD . 27488 1 539 . 1 . 1 93 93 PHE HD2 H 1 7.105 0.015 . . . . . . . 175 PHE QD . 27488 1 540 . 1 . 1 93 93 PHE C C 13 174.947 0.150 . . . . . . . 175 PHE C . 27488 1 541 . 1 . 1 93 93 PHE CA C 13 57.328 0.150 . . . . . . . 175 PHE CA . 27488 1 542 . 1 . 1 93 93 PHE CB C 13 38.665 0.150 . . . . . . . 175 PHE CB . 27488 1 543 . 1 . 1 93 93 PHE N N 15 122.481 0.150 . . . . . . . 175 PHE N . 27488 1 544 . 1 . 1 94 94 SER H H 1 8.200 0.015 . . . . . . . 176 SER H . 27488 1 545 . 1 . 1 94 94 SER HB2 H 1 4.136 0.015 . . . . . . . 176 SER QB . 27488 1 546 . 1 . 1 94 94 SER HB3 H 1 4.136 0.015 . . . . . . . 176 SER QB . 27488 1 547 . 1 . 1 94 94 SER C C 13 173.887 0.150 . . . . . . . 176 SER C . 27488 1 548 . 1 . 1 94 94 SER CA C 13 59.372 0.150 . . . . . . . 176 SER CA . 27488 1 549 . 1 . 1 94 94 SER CB C 13 61.885 0.150 . . . . . . . 176 SER CB . 27488 1 550 . 1 . 1 94 94 SER N N 15 112.014 0.150 . . . . . . . 176 SER N . 27488 1 551 . 1 . 1 95 95 MET HE1 H 1 1.941 0.015 . . . . . . . 177 MET QE . 27488 1 552 . 1 . 1 95 95 MET HE2 H 1 1.941 0.015 . . . . . . . 177 MET QE . 27488 1 553 . 1 . 1 95 95 MET HE3 H 1 1.941 0.015 . . . . . . . 177 MET QE . 27488 1 554 . 1 . 1 95 95 MET H H 1 7.835 0.015 . . . . . . . 177 MET H . 27488 1 555 . 1 . 1 95 95 MET C C 13 173.441 0.150 . . . . . . . 177 MET C . 27488 1 556 . 1 . 1 95 95 MET CA C 13 53.833 0.150 . . . . . . . 177 MET CA . 27488 1 557 . 1 . 1 95 95 MET CB C 13 35.513 0.150 . . . . . . . 177 MET CB . 27488 1 558 . 1 . 1 95 95 MET N N 15 118.420 0.150 . . . . . . . 177 MET N . 27488 1 559 . 1 . 1 96 96 ALA H H 1 8.419 0.015 . . . . . . . 178 ALA H . 27488 1 560 . 1 . 1 96 96 ALA CA C 13 58.110 0.150 . . . . . . . 178 ALA CA . 27488 1 561 . 1 . 1 96 96 ALA N N 15 120.745 0.150 . . . . . . . 178 ALA N . 27488 1 562 . 1 . 1 98 98 ASN C C 13 173.189 0.150 . . . . . . . 180 ASN C . 27488 1 563 . 1 . 1 98 98 ASN CA C 13 53.031 0.150 . . . . . . . 180 ASN CA . 27488 1 564 . 1 . 1 98 98 ASN CB C 13 41.127 0.150 . . . . . . . 180 ASN CB . 27488 1 565 . 1 . 1 99 99 ILE H H 1 9.533 0.015 . . . . . . . 181 ILE H . 27488 1 566 . 1 . 1 99 99 ILE HB H 1 2.168 0.015 . . . . . . . 181 ILE HB . 27488 1 567 . 1 . 1 99 99 ILE HG21 H 1 0.738 0.015 . . . . . . . 181 ILE QG2 . 27488 1 568 . 1 . 1 99 99 ILE HG22 H 1 0.738 0.015 . . . . . . . 181 ILE QG2 . 27488 1 569 . 1 . 1 99 99 ILE HG23 H 1 0.738 0.015 . . . . . . . 181 ILE QG2 . 27488 1 570 . 1 . 1 99 99 ILE C C 13 173.906 0.150 . . . . . . . 181 ILE C . 27488 1 571 . 1 . 1 99 99 ILE CA C 13 60.626 0.150 . . . . . . . 181 ILE CA . 27488 1 572 . 1 . 1 99 99 ILE CB C 13 38.248 0.150 . . . . . . . 181 ILE CB . 27488 1 573 . 1 . 1 99 99 ILE N N 15 125.711 0.150 . . . . . . . 181 ILE N . 27488 1 574 . 1 . 1 100 100 ILE H H 1 8.981 0.015 . . . . . . . 182 ILE H . 27488 1 575 . 1 . 1 100 100 ILE HB H 1 1.785 0.015 . . . . . . . 182 ILE HB . 27488 1 576 . 1 . 1 100 100 ILE HG21 H 1 0.901 0.015 . . . . . . . 182 ILE QG2 . 27488 1 577 . 1 . 1 100 100 ILE HG22 H 1 0.901 0.015 . . . . . . . 182 ILE QG2 . 27488 1 578 . 1 . 1 100 100 ILE HG23 H 1 0.901 0.015 . . . . . . . 182 ILE QG2 . 27488 1 579 . 1 . 1 100 100 ILE CA C 13 59.921 0.150 . . . . . . . 182 ILE CA . 27488 1 580 . 1 . 1 100 100 ILE N N 15 126.506 0.150 . . . . . . . 182 ILE N . 27488 1 581 . 1 . 1 104 104 ASP C C 13 176.197 0.150 . . . . . . . 186 ASP C . 27488 1 582 . 1 . 1 104 104 ASP CA C 13 55.054 0.150 . . . . . . . 186 ASP CA . 27488 1 583 . 1 . 1 104 104 ASP CB C 13 42.251 0.150 . . . . . . . 186 ASP CB . 27488 1 584 . 1 . 1 105 105 THR H H 1 7.971 0.015 . . . . . . . 187 THR H . 27488 1 585 . 1 . 1 105 105 THR HB H 1 4.287 0.015 . . . . . . . 187 THR HB . 27488 1 586 . 1 . 1 105 105 THR C C 13 174.818 0.150 . . . . . . . 187 THR C . 27488 1 587 . 1 . 1 105 105 THR CA C 13 62.524 0.150 . . . . . . . 187 THR CA . 27488 1 588 . 1 . 1 105 105 THR CB C 13 69.688 0.150 . . . . . . . 187 THR CB . 27488 1 589 . 1 . 1 105 105 THR N N 15 114.835 0.150 . . . . . . . 187 THR N . 27488 1 590 . 1 . 1 106 106 ASN H H 1 8.365 0.015 . . . . . . . 188 ASN H . 27488 1 591 . 1 . 1 106 106 ASN C C 13 175.287 0.150 . . . . . . . 188 ASN C . 27488 1 592 . 1 . 1 106 106 ASN CA C 13 53.512 0.150 . . . . . . . 188 ASN CA . 27488 1 593 . 1 . 1 106 106 ASN CB C 13 39.100 0.150 . . . . . . . 188 ASN CB . 27488 1 594 . 1 . 1 106 106 ASN N N 15 119.650 0.150 . . . . . . . 188 ASN N . 27488 1 595 . 1 . 1 107 107 SER HB2 H 1 3.991 0.015 . . . . . . . 189 SER QB . 27488 1 596 . 1 . 1 107 107 SER HB3 H 1 3.991 0.015 . . . . . . . 189 SER QB . 27488 1 597 . 1 . 1 107 107 SER C C 13 175.572 0.150 . . . . . . . 189 SER C . 27488 1 598 . 1 . 1 107 107 SER CA C 13 59.863 0.150 . . . . . . . 189 SER CA . 27488 1 599 . 1 . 1 107 107 SER CB C 13 63.757 0.150 . . . . . . . 189 SER CB . 27488 1 600 . 1 . 1 108 108 ASP H H 1 8.594 0.015 . . . . . . . 190 ASP H . 27488 1 601 . 1 . 1 108 108 ASP HB2 H 1 2.794 0.015 . . . . . . . 190 ASP QB . 27488 1 602 . 1 . 1 108 108 ASP HB3 H 1 2.794 0.015 . . . . . . . 190 ASP QB . 27488 1 603 . 1 . 1 108 108 ASP C C 13 177.992 0.150 . . . . . . . 190 ASP C . 27488 1 604 . 1 . 1 108 108 ASP CA C 13 55.963 0.150 . . . . . . . 190 ASP CA . 27488 1 605 . 1 . 1 108 108 ASP CB C 13 40.614 0.150 . . . . . . . 190 ASP CB . 27488 1 606 . 1 . 1 108 108 ASP N N 15 122.420 0.150 . . . . . . . 190 ASP N . 27488 1 607 . 1 . 1 109 109 SER H H 1 8.289 0.015 . . . . . . . 191 SER H . 27488 1 608 . 1 . 1 109 109 SER HB2 H 1 4.112 0.015 . . . . . . . 191 SER HB2 . 27488 1 609 . 1 . 1 109 109 SER HB3 H 1 4.480 0.015 . . . . . . . 191 SER HB3 . 27488 1 610 . 1 . 1 109 109 SER C C 13 175.832 0.150 . . . . . . . 191 SER C . 27488 1 611 . 1 . 1 109 109 SER CA C 13 60.238 0.150 . . . . . . . 191 SER CA . 27488 1 612 . 1 . 1 109 109 SER CB C 13 63.632 0.150 . . . . . . . 191 SER CB . 27488 1 613 . 1 . 1 109 109 SER N N 15 116.159 0.150 . . . . . . . 191 SER N . 27488 1 614 . 1 . 1 110 110 LEU H H 1 7.962 0.015 . . . . . . . 192 LEU H . 27488 1 615 . 1 . 1 110 110 LEU HB2 H 1 1.743 0.015 . . . . . . . 192 LEU QB . 27488 1 616 . 1 . 1 110 110 LEU HB3 H 1 1.743 0.015 . . . . . . . 192 LEU QB . 27488 1 617 . 1 . 1 110 110 LEU HD11 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 618 . 1 . 1 110 110 LEU HD12 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 619 . 1 . 1 110 110 LEU HD13 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 620 . 1 . 1 110 110 LEU HD21 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 621 . 1 . 1 110 110 LEU HD22 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 622 . 1 . 1 110 110 LEU HD23 H 1 0.779 0.015 . . . . . . . 192 LEU QQD . 27488 1 623 . 1 . 1 110 110 LEU C C 13 178.046 0.150 . . . . . . . 192 LEU C . 27488 1 624 . 1 . 1 110 110 LEU CA C 13 57.649 0.150 . . . . . . . 192 LEU CA . 27488 1 625 . 1 . 1 110 110 LEU CB C 13 41.467 0.150 . . . . . . . 192 LEU CB . 27488 1 626 . 1 . 1 110 110 LEU N N 15 123.634 0.150 . . . . . . . 192 LEU N . 27488 1 627 . 1 . 1 111 111 GLN H H 1 8.059 0.015 . . . . . . . 193 GLN H . 27488 1 628 . 1 . 1 111 111 GLN HB2 H 1 1.574 0.015 . . . . . . . 193 GLN HB2 . 27488 1 629 . 1 . 1 111 111 GLN HB3 H 1 1.764 0.015 . . . . . . . 193 GLN HB3 . 27488 1 630 . 1 . 1 111 111 GLN HG2 H 1 2.172 0.015 . . . . . . . 193 GLN HG2 . 27488 1 631 . 1 . 1 111 111 GLN HG3 H 1 2.437 0.015 . . . . . . . 193 GLN HG3 . 27488 1 632 . 1 . 1 111 111 GLN C C 13 178.314 0.150 . . . . . . . 193 GLN C . 27488 1 633 . 1 . 1 111 111 GLN CA C 13 58.886 0.150 . . . . . . . 193 GLN CA . 27488 1 634 . 1 . 1 111 111 GLN CB C 13 27.738 0.150 . . . . . . . 193 GLN CB . 27488 1 635 . 1 . 1 111 111 GLN N N 15 118.268 0.150 . . . . . . . 193 GLN N . 27488 1 636 . 1 . 1 112 112 SER H H 1 7.955 0.015 . . . . . . . 194 SER H . 27488 1 637 . 1 . 1 112 112 SER HB2 H 1 3.966 0.015 . . . . . . . 194 SER QB . 27488 1 638 . 1 . 1 112 112 SER HB3 H 1 3.966 0.015 . . . . . . . 194 SER QB . 27488 1 639 . 1 . 1 112 112 SER C C 13 176.447 0.150 . . . . . . . 194 SER C . 27488 1 640 . 1 . 1 112 112 SER CA C 13 61.451 0.150 . . . . . . . 194 SER CA . 27488 1 641 . 1 . 1 112 112 SER CB C 13 62.668 0.150 . . . . . . . 194 SER CB . 27488 1 642 . 1 . 1 112 112 SER N N 15 114.115 0.150 . . . . . . . 194 SER N . 27488 1 643 . 1 . 1 113 113 LEU H H 1 7.692 0.015 . . . . . . . 195 LEU H . 27488 1 644 . 1 . 1 113 113 LEU HB2 H 1 1.585 0.015 . . . . . . . 195 LEU QB . 27488 1 645 . 1 . 1 113 113 LEU HB3 H 1 1.585 0.015 . . . . . . . 195 LEU QB . 27488 1 646 . 1 . 1 113 113 LEU HD11 H 1 0.790 0.015 . . . . . . . 195 LEU QD1 . 27488 1 647 . 1 . 1 113 113 LEU HD12 H 1 0.790 0.015 . . . . . . . 195 LEU QD1 . 27488 1 648 . 1 . 1 113 113 LEU HD13 H 1 0.790 0.015 . . . . . . . 195 LEU QD1 . 27488 1 649 . 1 . 1 113 113 LEU C C 13 178.276 0.150 . . . . . . . 195 LEU C . 27488 1 650 . 1 . 1 113 113 LEU CA C 13 57.929 0.150 . . . . . . . 195 LEU CA . 27488 1 651 . 1 . 1 113 113 LEU CB C 13 41.580 0.150 . . . . . . . 195 LEU CB . 27488 1 652 . 1 . 1 113 113 LEU N N 15 123.299 0.150 . . . . . . . 195 LEU N . 27488 1 653 . 1 . 1 114 114 LYS H H 1 8.152 0.015 . . . . . . . 196 LYS H . 27488 1 654 . 1 . 1 114 114 LYS HB2 H 1 1.763 0.015 . . . . . . . 196 LYS QB . 27488 1 655 . 1 . 1 114 114 LYS HB3 H 1 1.763 0.015 . . . . . . . 196 LYS QB . 27488 1 656 . 1 . 1 114 114 LYS HD2 H 1 1.619 0.015 . . . . . . . 196 LYS QD . 27488 1 657 . 1 . 1 114 114 LYS HD3 H 1 1.619 0.015 . . . . . . . 196 LYS QD . 27488 1 658 . 1 . 1 114 114 LYS C C 13 178.382 0.150 . . . . . . . 196 LYS C . 27488 1 659 . 1 . 1 114 114 LYS CA C 13 60.254 0.150 . . . . . . . 196 LYS CA . 27488 1 660 . 1 . 1 114 114 LYS CB C 13 32.295 0.150 . . . . . . . 196 LYS CB . 27488 1 661 . 1 . 1 114 114 LYS N N 15 118.263 0.150 . . . . . . . 196 LYS N . 27488 1 662 . 1 . 1 115 115 GLU H H 1 7.765 0.015 . . . . . . . 197 GLU H . 27488 1 663 . 1 . 1 115 115 GLU HB2 H 1 2.102 0.015 . . . . . . . 197 GLU QB . 27488 1 664 . 1 . 1 115 115 GLU HB3 H 1 2.102 0.015 . . . . . . . 197 GLU QB . 27488 1 665 . 1 . 1 115 115 GLU HG2 H 1 2.234 0.015 . . . . . . . 197 GLU HG2 . 27488 1 666 . 1 . 1 115 115 GLU HG3 H 1 2.413 0.015 . . . . . . . 197 GLU HG3 . 27488 1 667 . 1 . 1 115 115 GLU C C 13 178.704 0.150 . . . . . . . 197 GLU C . 27488 1 668 . 1 . 1 115 115 GLU CA C 13 59.291 0.150 . . . . . . . 197 GLU CA . 27488 1 669 . 1 . 1 115 115 GLU CB C 13 29.205 0.150 . . . . . . . 197 GLU CB . 27488 1 670 . 1 . 1 115 115 GLU N N 15 117.550 0.150 . . . . . . . 197 GLU N . 27488 1 671 . 1 . 1 116 116 ILE H H 1 7.615 0.015 . . . . . . . 198 ILE H . 27488 1 672 . 1 . 1 116 116 ILE HB H 1 1.784 0.015 . . . . . . . 198 ILE HB . 27488 1 673 . 1 . 1 116 116 ILE HG21 H 1 0.747 0.015 . . . . . . . 198 ILE QG2 . 27488 1 674 . 1 . 1 116 116 ILE HG22 H 1 0.747 0.015 . . . . . . . 198 ILE QG2 . 27488 1 675 . 1 . 1 116 116 ILE HG23 H 1 0.747 0.015 . . . . . . . 198 ILE QG2 . 27488 1 676 . 1 . 1 116 116 ILE C C 13 178.177 0.150 . . . . . . . 198 ILE C . 27488 1 677 . 1 . 1 116 116 ILE CA C 13 64.582 0.150 . . . . . . . 198 ILE CA . 27488 1 678 . 1 . 1 116 116 ILE N N 15 119.241 0.150 . . . . . . . 198 ILE N . 27488 1 679 . 1 . 1 122 122 THR C C 13 172.469 0.150 . . . . . . . 204 THR C . 27488 1 680 . 1 . 1 122 122 THR CA C 13 62.396 0.150 . . . . . . . 204 THR CA . 27488 1 681 . 1 . 1 122 122 THR CB C 13 70.497 0.150 . . . . . . . 204 THR CB . 27488 1 682 . 1 . 1 123 123 MET HE1 H 1 1.936 0.015 . . . . . . . 205 MET QE . 27488 1 683 . 1 . 1 123 123 MET HE2 H 1 1.936 0.015 . . . . . . . 205 MET QE . 27488 1 684 . 1 . 1 123 123 MET HE3 H 1 1.936 0.015 . . . . . . . 205 MET QE . 27488 1 685 . 1 . 1 123 123 MET H H 1 9.321 0.015 . . . . . . . 205 MET H . 27488 1 686 . 1 . 1 123 123 MET C C 13 174.701 0.150 . . . . . . . 205 MET C . 27488 1 687 . 1 . 1 123 123 MET CA C 13 56.969 0.150 . . . . . . . 205 MET CA . 27488 1 688 . 1 . 1 123 123 MET N N 15 129.251 0.150 . . . . . . . 205 MET N . 27488 1 689 . 1 . 1 125 125 THR HB H 1 4.304 0.015 . . . . . . . 207 THR HB . 27488 1 690 . 1 . 1 125 125 THR C C 13 175.353 0.150 . . . . . . . 207 THR C . 27488 1 691 . 1 . 1 125 125 THR CA C 13 62.668 0.150 . . . . . . . 207 THR CA . 27488 1 692 . 1 . 1 125 125 THR CB C 13 69.600 0.150 . . . . . . . 207 THR CB . 27488 1 693 . 1 . 1 126 126 GLY H H 1 8.321 0.015 . . . . . . . 208 GLY H . 27488 1 694 . 1 . 1 126 126 GLY HA2 H 1 3.848 0.015 . . . . . . . 208 GLY HA2 . 27488 1 695 . 1 . 1 126 126 GLY HA3 H 1 3.976 0.015 . . . . . . . 208 GLY HA3 . 27488 1 696 . 1 . 1 126 126 GLY C C 13 173.560 0.150 . . . . . . . 208 GLY C . 27488 1 697 . 1 . 1 126 126 GLY CA C 13 45.428 0.150 . . . . . . . 208 GLY CA . 27488 1 698 . 1 . 1 126 126 GLY N N 15 110.244 0.150 . . . . . . . 208 GLY N . 27488 1 699 . 1 . 1 127 127 ASN H H 1 8.295 0.015 . . . . . . . 209 ASN H . 27488 1 700 . 1 . 1 127 127 ASN HB2 H 1 2.727 0.015 . . . . . . . 209 ASN QB . 27488 1 701 . 1 . 1 127 127 ASN HB3 H 1 2.727 0.015 . . . . . . . 209 ASN QB . 27488 1 702 . 1 . 1 127 127 ASN CA C 13 53.470 0.150 . . . . . . . 209 ASN CA . 27488 1 703 . 1 . 1 127 127 ASN CB C 13 38.948 0.150 . . . . . . . 209 ASN CB . 27488 1 704 . 1 . 1 127 127 ASN N N 15 119.021 0.150 . . . . . . . 209 ASN N . 27488 1 705 . 1 . 1 135 135 ILE C C 13 179.427 0.150 . . . . . . . 217 ILE C . 27488 1 706 . 1 . 1 135 135 ILE CA C 13 63.765 0.150 . . . . . . . 217 ILE CA . 27488 1 707 . 1 . 1 135 135 ILE CB C 13 38.417 0.150 . . . . . . . 217 ILE CB . 27488 1 708 . 1 . 1 136 136 THR H H 1 8.165 0.015 . . . . . . . 218 THR H . 27488 1 709 . 1 . 1 136 136 THR CA C 13 62.020 0.150 . . . . . . . 218 THR CA . 27488 1 710 . 1 . 1 136 136 THR N N 15 122.359 0.150 . . . . . . . 218 THR N . 27488 1 711 . 1 . 1 138 138 HIS C C 13 174.143 0.150 . . . . . . . 220 HIS C . 27488 1 712 . 1 . 1 138 138 HIS CA C 13 55.186 0.150 . . . . . . . 220 HIS CA . 27488 1 713 . 1 . 1 138 138 HIS CB C 13 29.379 0.150 . . . . . . . 220 HIS CB . 27488 1 714 . 1 . 1 139 139 ASN H H 1 8.405 0.015 . . . . . . . 221 ASN H . 27488 1 715 . 1 . 1 139 139 ASN HB2 H 1 2.912 0.015 . . . . . . . 221 ASN HB2 . 27488 1 716 . 1 . 1 139 139 ASN HB3 H 1 3.035 0.015 . . . . . . . 221 ASN HB3 . 27488 1 717 . 1 . 1 139 139 ASN C C 13 173.692 0.150 . . . . . . . 221 ASN C . 27488 1 718 . 1 . 1 139 139 ASN CA C 13 54.614 0.150 . . . . . . . 221 ASN CA . 27488 1 719 . 1 . 1 139 139 ASN CB C 13 36.509 0.150 . . . . . . . 221 ASN CB . 27488 1 720 . 1 . 1 139 139 ASN N N 15 114.913 0.150 . . . . . . . 221 ASN N . 27488 1 721 . 1 . 1 140 140 LYS H H 1 7.237 0.015 . . . . . . . 222 LYS H . 27488 1 722 . 1 . 1 140 140 LYS HB2 H 1 1.656 0.015 . . . . . . . 222 LYS QB . 27488 1 723 . 1 . 1 140 140 LYS HB3 H 1 1.656 0.015 . . . . . . . 222 LYS QB . 27488 1 724 . 1 . 1 140 140 LYS HG2 H 1 1.262 0.015 . . . . . . . 222 LYS QG . 27488 1 725 . 1 . 1 140 140 LYS HG3 H 1 1.262 0.015 . . . . . . . 222 LYS QG . 27488 1 726 . 1 . 1 140 140 LYS C C 13 176.308 0.150 . . . . . . . 222 LYS C . 27488 1 727 . 1 . 1 140 140 LYS CA C 13 54.487 0.150 . . . . . . . 222 LYS CA . 27488 1 728 . 1 . 1 140 140 LYS CB C 13 33.472 0.150 . . . . . . . 222 LYS CB . 27488 1 729 . 1 . 1 140 140 LYS N N 15 115.758 0.150 . . . . . . . 222 LYS N . 27488 1 730 . 1 . 1 141 141 VAL H H 1 8.941 0.015 . . . . . . . 223 VAL H . 27488 1 731 . 1 . 1 141 141 VAL HG11 H 1 0.959 0.015 . . . . . . . 223 VAL QG1 . 27488 1 732 . 1 . 1 141 141 VAL HG12 H 1 0.959 0.015 . . . . . . . 223 VAL QG1 . 27488 1 733 . 1 . 1 141 141 VAL HG13 H 1 0.959 0.015 . . . . . . . 223 VAL QG1 . 27488 1 734 . 1 . 1 141 141 VAL HG21 H 1 1.294 0.015 . . . . . . . 223 VAL QG2 . 27488 1 735 . 1 . 1 141 141 VAL HG22 H 1 1.294 0.015 . . . . . . . 223 VAL QG2 . 27488 1 736 . 1 . 1 141 141 VAL HG23 H 1 1.294 0.015 . . . . . . . 223 VAL QG2 . 27488 1 737 . 1 . 1 141 141 VAL CA C 13 60.555 0.150 . . . . . . . 223 VAL CA . 27488 1 738 . 1 . 1 141 141 VAL N N 15 118.778 0.150 . . . . . . . 223 VAL N . 27488 1 739 . 1 . 1 146 146 SER C C 13 174.732 0.150 . . . . . . . 228 SER C . 27488 1 740 . 1 . 1 146 146 SER CA C 13 58.313 0.150 . . . . . . . 228 SER CA . 27488 1 741 . 1 . 1 146 146 SER CB C 13 64.055 0.150 . . . . . . . 228 SER CB . 27488 1 742 . 1 . 1 147 147 SER H H 1 8.382 0.015 . . . . . . . 229 SER H . 27488 1 743 . 1 . 1 147 147 SER CA C 13 58.484 0.150 . . . . . . . 229 SER CA . 27488 1 744 . 1 . 1 147 147 SER CB C 13 64.004 0.150 . . . . . . . 229 SER CB . 27488 1 745 . 1 . 1 147 147 SER N N 15 117.907 0.150 . . . . . . . 229 SER N . 27488 1 746 . 1 . 1 150 150 LYS C C 13 177.460 0.150 . . . . . . . 232 LYS C . 27488 1 747 . 1 . 1 150 150 LYS CA C 13 57.838 0.150 . . . . . . . 232 LYS CA . 27488 1 748 . 1 . 1 150 150 LYS CB C 13 32.165 0.150 . . . . . . . 232 LYS CB . 27488 1 749 . 1 . 1 151 151 GLY H H 1 8.316 0.015 . . . . . . . 233 GLY H . 27488 1 750 . 1 . 1 151 151 GLY C C 13 174.680 0.150 . . . . . . . 233 GLY C . 27488 1 751 . 1 . 1 151 151 GLY CA C 13 45.688 0.150 . . . . . . . 233 GLY CA . 27488 1 752 . 1 . 1 151 151 GLY N N 15 109.315 0.150 . . . . . . . 233 GLY N . 27488 1 753 . 1 . 1 152 152 LEU H H 1 7.947 0.015 . . . . . . . 234 LEU H . 27488 1 754 . 1 . 1 152 152 LEU C C 13 176.049 0.150 . . . . . . . 234 LEU C . 27488 1 755 . 1 . 1 152 152 LEU CA C 13 55.819 0.150 . . . . . . . 234 LEU CA . 27488 1 756 . 1 . 1 152 152 LEU CB C 13 42.231 0.150 . . . . . . . 234 LEU CB . 27488 1 757 . 1 . 1 152 152 LEU N N 15 120.590 0.150 . . . . . . . 234 LEU N . 27488 1 758 . 1 . 1 153 153 THR H H 1 8.030 0.015 . . . . . . . 235 THR H . 27488 1 759 . 1 . 1 153 153 THR C C 13 175.127 0.150 . . . . . . . 235 THR C . 27488 1 760 . 1 . 1 153 153 THR CA C 13 63.301 0.150 . . . . . . . 235 THR CA . 27488 1 761 . 1 . 1 153 153 THR CB C 13 69.394 0.150 . . . . . . . 235 THR CB . 27488 1 762 . 1 . 1 153 153 THR N N 15 120.700 0.150 . . . . . . . 235 THR N . 27488 1 763 . 1 . 1 154 154 GLU H H 1 8.111 0.015 . . . . . . . 236 GLU H . 27488 1 764 . 1 . 1 154 154 GLU C C 13 176.390 0.150 . . . . . . . 236 GLU C . 27488 1 765 . 1 . 1 154 154 GLU CA C 13 57.536 0.150 . . . . . . . 236 GLU CA . 27488 1 766 . 1 . 1 154 154 GLU N N 15 120.096 0.150 . . . . . . . 236 GLU N . 27488 1 767 . 1 . 1 161 161 GLU HB2 H 1 2.014 0.015 . . . . . . . 243 GLU QB . 27488 1 768 . 1 . 1 161 161 GLU HB3 H 1 2.014 0.015 . . . . . . . 243 GLU QB . 27488 1 769 . 1 . 1 161 161 GLU HG2 H 1 2.354 0.015 . . . . . . . 243 GLU QG . 27488 1 770 . 1 . 1 161 161 GLU HG3 H 1 2.354 0.015 . . . . . . . 243 GLU QG . 27488 1 771 . 1 . 1 161 161 GLU C C 13 176.217 0.150 . . . . . . . 243 GLU C . 27488 1 772 . 1 . 1 161 161 GLU CA C 13 56.361 0.150 . . . . . . . 243 GLU CA . 27488 1 773 . 1 . 1 161 161 GLU CB C 13 29.593 0.150 . . . . . . . 243 GLU CB . 27488 1 774 . 1 . 1 162 162 LEU H H 1 8.081 0.015 . . . . . . . 244 LEU H . 27488 1 775 . 1 . 1 162 162 LEU HD11 H 1 0.908 0.015 . . . . . . . 244 LEU QD1 . 27488 1 776 . 1 . 1 162 162 LEU HD12 H 1 0.908 0.015 . . . . . . . 244 LEU QD1 . 27488 1 777 . 1 . 1 162 162 LEU HD13 H 1 0.908 0.015 . . . . . . . 244 LEU QD1 . 27488 1 778 . 1 . 1 162 162 LEU C C 13 176.225 0.150 . . . . . . . 244 LEU C . 27488 1 779 . 1 . 1 162 162 LEU CA C 13 55.768 0.150 . . . . . . . 244 LEU CA . 27488 1 780 . 1 . 1 162 162 LEU CB C 13 42.189 0.150 . . . . . . . 244 LEU CB . 27488 1 781 . 1 . 1 162 162 LEU N N 15 121.589 0.150 . . . . . . . 244 LEU N . 27488 1 782 . 1 . 1 163 163 LEU H H 1 8.071 0.015 . . . . . . . 245 LEU H . 27488 1 783 . 1 . 1 163 163 LEU HB2 H 1 1.649 0.015 . . . . . . . 245 LEU QB . 27488 1 784 . 1 . 1 163 163 LEU HB3 H 1 1.649 0.015 . . . . . . . 245 LEU QB . 27488 1 785 . 1 . 1 163 163 LEU C C 13 176.242 0.150 . . . . . . . 245 LEU C . 27488 1 786 . 1 . 1 163 163 LEU CA C 13 55.644 0.150 . . . . . . . 245 LEU CA . 27488 1 787 . 1 . 1 163 163 LEU CB C 13 42.074 0.150 . . . . . . . 245 LEU CB . 27488 1 788 . 1 . 1 163 163 LEU N N 15 121.246 0.150 . . . . . . . 245 LEU N . 27488 1 789 . 1 . 1 164 164 LEU H H 1 8.223 0.015 . . . . . . . 246 LEU H . 27488 1 790 . 1 . 1 164 164 LEU C C 13 177.150 0.150 . . . . . . . 246 LEU C . 27488 1 791 . 1 . 1 164 164 LEU CA C 13 54.868 0.150 . . . . . . . 246 LEU CA . 27488 1 792 . 1 . 1 164 164 LEU CB C 13 42.845 0.150 . . . . . . . 246 LEU CB . 27488 1 793 . 1 . 1 164 164 LEU N N 15 114.823 0.150 . . . . . . . 246 LEU N . 27488 1 794 . 1 . 1 165 165 GLY H H 1 8.041 0.015 . . . . . . . 247 GLY H . 27488 1 795 . 1 . 1 165 165 GLY HA2 H 1 4.016 0.015 . . . . . . . 247 GLY HA2 . 27488 1 796 . 1 . 1 165 165 GLY HA3 H 1 4.097 0.015 . . . . . . . 247 GLY HA3 . 27488 1 797 . 1 . 1 165 165 GLY CA C 13 44.853 0.150 . . . . . . . 247 GLY CA . 27488 1 798 . 1 . 1 165 165 GLY N N 15 109.377 0.150 . . . . . . . 247 GLY N . 27488 1 799 . 1 . 1 166 166 PRO HA H 1 4.427 0.015 . . . . . . . 248 PRO HA . 27488 1 800 . 1 . 1 167 167 ILE H H 1 7.982 0.015 . . . . . . . 249 ILE H . 27488 1 801 . 1 . 1 167 167 ILE HB H 1 1.708 0.015 . . . . . . . 249 ILE HB . 27488 1 802 . 1 . 1 167 167 ILE C C 13 174.299 0.150 . . . . . . . 249 ILE C . 27488 1 803 . 1 . 1 167 167 ILE CA C 13 64.371 0.150 . . . . . . . 249 ILE CA . 27488 1 804 . 1 . 1 167 167 ILE CB C 13 37.919 0.150 . . . . . . . 249 ILE CB . 27488 1 805 . 1 . 1 167 167 ILE N N 15 116.638 0.150 . . . . . . . 249 ILE N . 27488 1 806 . 1 . 1 168 168 CYS H H 1 8.641 0.015 . . . . . . . 250 CYS H . 27488 1 807 . 1 . 1 168 168 CYS HB2 H 1 2.954 0.015 . . . . . . . 250 CYS QB . 27488 1 808 . 1 . 1 168 168 CYS HB3 H 1 2.954 0.015 . . . . . . . 250 CYS QB . 27488 1 809 . 1 . 1 168 168 CYS C C 13 174.475 0.150 . . . . . . . 250 CYS C . 27488 1 810 . 1 . 1 168 168 CYS CA C 13 59.965 0.150 . . . . . . . 250 CYS CA . 27488 1 811 . 1 . 1 168 168 CYS N N 15 117.099 0.150 . . . . . . . 250 CYS N . 27488 1 812 . 1 . 1 169 169 LEU H H 1 9.245 0.015 . . . . . . . 251 LEU H . 27488 1 813 . 1 . 1 169 169 LEU HB2 H 1 1.793 0.015 . . . . . . . 251 LEU QB . 27488 1 814 . 1 . 1 169 169 LEU HB3 H 1 1.793 0.015 . . . . . . . 251 LEU QB . 27488 1 815 . 1 . 1 169 169 LEU C C 13 176.795 0.150 . . . . . . . 251 LEU C . 27488 1 816 . 1 . 1 169 169 LEU CA C 13 53.576 0.150 . . . . . . . 251 LEU CA . 27488 1 817 . 1 . 1 169 169 LEU N N 15 126.947 0.150 . . . . . . . 251 LEU N . 27488 1 818 . 1 . 1 169 169 LEU HG H 1 2.205 0.015 . . . . . . . 251 LEU QG . 27488 1 819 . 1 . 1 170 170 PRO C C 13 177.145 0.150 . . . . . . . 252 PRO C . 27488 1 820 . 1 . 1 170 170 PRO CA C 13 63.332 0.150 . . . . . . . 252 PRO CA . 27488 1 821 . 1 . 1 170 170 PRO CB C 13 32.160 0.150 . . . . . . . 252 PRO CB . 27488 1 822 . 1 . 1 171 171 LEU H H 1 8.149 0.015 . . . . . . . 253 LEU H . 27488 1 823 . 1 . 1 171 171 LEU HB2 H 1 1.605 0.015 . . . . . . . 253 LEU QB . 27488 1 824 . 1 . 1 171 171 LEU HB3 H 1 1.605 0.015 . . . . . . . 253 LEU QB . 27488 1 825 . 1 . 1 171 171 LEU HD11 H 1 0.870 0.015 . . . . . . . 253 LEU QD1 . 27488 1 826 . 1 . 1 171 171 LEU HD12 H 1 0.870 0.015 . . . . . . . 253 LEU QD1 . 27488 1 827 . 1 . 1 171 171 LEU HD13 H 1 0.870 0.015 . . . . . . . 253 LEU QD1 . 27488 1 828 . 1 . 1 171 171 LEU C C 13 177.977 0.150 . . . . . . . 253 LEU C . 27488 1 829 . 1 . 1 171 171 LEU CA C 13 58.088 0.150 . . . . . . . 253 LEU CA . 27488 1 830 . 1 . 1 171 171 LEU CB C 13 41.725 0.150 . . . . . . . 253 LEU CB . 27488 1 831 . 1 . 1 171 171 LEU N N 15 126.499 0.150 . . . . . . . 253 LEU N . 27488 1 832 . 1 . 1 172 172 VAL H H 1 8.766 0.015 . . . . . . . 254 VAL H . 27488 1 833 . 1 . 1 172 172 VAL HB H 1 2.092 0.015 . . . . . . . 254 VAL HB . 27488 1 834 . 1 . 1 172 172 VAL HG11 H 1 0.962 0.015 . . . . . . . 254 VAL QG1 . 27488 1 835 . 1 . 1 172 172 VAL HG12 H 1 0.962 0.015 . . . . . . . 254 VAL QG1 . 27488 1 836 . 1 . 1 172 172 VAL HG13 H 1 0.962 0.015 . . . . . . . 254 VAL QG1 . 27488 1 837 . 1 . 1 172 172 VAL HG21 H 1 1.168 0.015 . . . . . . . 254 VAL QG2 . 27488 1 838 . 1 . 1 172 172 VAL HG22 H 1 1.168 0.015 . . . . . . . 254 VAL QG2 . 27488 1 839 . 1 . 1 172 172 VAL HG23 H 1 1.168 0.015 . . . . . . . 254 VAL QG2 . 27488 1 840 . 1 . 1 172 172 VAL C C 13 175.465 0.150 . . . . . . . 254 VAL C . 27488 1 841 . 1 . 1 172 172 VAL CA C 13 66.029 0.150 . . . . . . . 254 VAL CA . 27488 1 842 . 1 . 1 172 172 VAL CB C 13 31.646 0.150 . . . . . . . 254 VAL CB . 27488 1 843 . 1 . 1 172 172 VAL N N 15 116.470 0.150 . . . . . . . 254 VAL N . 27488 1 844 . 1 . 1 173 173 ASP H H 1 6.730 0.015 . . . . . . . 255 ASP H . 27488 1 845 . 1 . 1 173 173 ASP HB2 H 1 2.568 0.015 . . . . . . . 255 ASP HB2 . 27488 1 846 . 1 . 1 173 173 ASP HB3 H 1 2.688 0.015 . . . . . . . 255 ASP HB3 . 27488 1 847 . 1 . 1 173 173 ASP C C 13 179.277 0.150 . . . . . . . 255 ASP C . 27488 1 848 . 1 . 1 173 173 ASP CA C 13 57.702 0.150 . . . . . . . 255 ASP CA . 27488 1 849 . 1 . 1 173 173 ASP CB C 13 40.773 0.150 . . . . . . . 255 ASP CB . 27488 1 850 . 1 . 1 173 173 ASP N N 15 120.439 0.150 . . . . . . . 255 ASP N . 27488 1 851 . 1 . 1 174 174 ARG H H 1 7.523 0.015 . . . . . . . 256 ARG H . 27488 1 852 . 1 . 1 174 174 ARG HB2 H 1 1.873 0.015 . . . . . . . 256 ARG QB . 27488 1 853 . 1 . 1 174 174 ARG HB3 H 1 1.873 0.015 . . . . . . . 256 ARG QB . 27488 1 854 . 1 . 1 174 174 ARG HG2 H 1 1.563 0.015 . . . . . . . 256 ARG QG . 27488 1 855 . 1 . 1 174 174 ARG HG3 H 1 1.563 0.015 . . . . . . . 256 ARG QG . 27488 1 856 . 1 . 1 174 174 ARG C C 13 178.365 0.150 . . . . . . . 256 ARG C . 27488 1 857 . 1 . 1 174 174 ARG CA C 13 57.407 0.150 . . . . . . . 256 ARG CA . 27488 1 858 . 1 . 1 174 174 ARG CB C 13 29.721 0.150 . . . . . . . 256 ARG CB . 27488 1 859 . 1 . 1 174 174 ARG N N 15 121.600 0.150 . . . . . . . 256 ARG N . 27488 1 860 . 1 . 1 175 175 PHE H H 1 8.552 0.015 . . . . . . . 257 PHE H . 27488 1 861 . 1 . 1 175 175 PHE HB2 H 1 2.724 0.015 . . . . . . . 257 PHE HB2 . 27488 1 862 . 1 . 1 175 175 PHE HB3 H 1 3.132 0.015 . . . . . . . 257 PHE HB3 . 27488 1 863 . 1 . 1 175 175 PHE C C 13 178.017 0.150 . . . . . . . 257 PHE C . 27488 1 864 . 1 . 1 175 175 PHE CA C 13 59.861 0.150 . . . . . . . 257 PHE CA . 27488 1 865 . 1 . 1 175 175 PHE CB C 13 38.370 0.150 . . . . . . . 257 PHE CB . 27488 1 866 . 1 . 1 175 175 PHE N N 15 116.923 0.150 . . . . . . . 257 PHE N . 27488 1 867 . 1 . 1 176 176 ILE H H 1 8.639 0.015 . . . . . . . 258 ILE H . 27488 1 868 . 1 . 1 176 176 ILE HB H 1 1.619 0.015 . . . . . . . 258 ILE HB . 27488 1 869 . 1 . 1 176 176 ILE HG21 H 1 0.988 0.015 . . . . . . . 258 ILE QG2 . 27488 1 870 . 1 . 1 176 176 ILE HG22 H 1 0.988 0.015 . . . . . . . 258 ILE QG2 . 27488 1 871 . 1 . 1 176 176 ILE HG23 H 1 0.988 0.015 . . . . . . . 258 ILE QG2 . 27488 1 872 . 1 . 1 176 176 ILE HD11 H 1 0.908 0.015 . . . . . . . 258 ILE QD1 . 27488 1 873 . 1 . 1 176 176 ILE HD12 H 1 0.908 0.015 . . . . . . . 258 ILE QD1 . 27488 1 874 . 1 . 1 176 176 ILE HD13 H 1 0.908 0.015 . . . . . . . 258 ILE QD1 . 27488 1 875 . 1 . 1 176 176 ILE C C 13 176.971 0.150 . . . . . . . 258 ILE C . 27488 1 876 . 1 . 1 176 176 ILE CA C 13 67.438 0.150 . . . . . . . 258 ILE CA . 27488 1 877 . 1 . 1 176 176 ILE CB C 13 38.145 0.150 . . . . . . . 258 ILE CB . 27488 1 878 . 1 . 1 176 176 ILE N N 15 120.518 0.150 . . . . . . . 258 ILE N . 27488 1 879 . 1 . 1 177 177 GLN H H 1 7.554 0.015 . . . . . . . 259 GLN H . 27488 1 880 . 1 . 1 177 177 GLN HB2 H 1 1.959 0.015 . . . . . . . 259 GLN HB2 . 27488 1 881 . 1 . 1 177 177 GLN HB3 H 1 2.163 0.015 . . . . . . . 259 GLN HB3 . 27488 1 882 . 1 . 1 177 177 GLN HG2 H 1 2.380 0.015 . . . . . . . 259 GLN HG2 . 27488 1 883 . 1 . 1 177 177 GLN HG3 H 1 2.636 0.015 . . . . . . . 259 GLN HG3 . 27488 1 884 . 1 . 1 177 177 GLN C C 13 179.103 0.150 . . . . . . . 259 GLN C . 27488 1 885 . 1 . 1 177 177 GLN CA C 13 59.358 0.150 . . . . . . . 259 GLN CA . 27488 1 886 . 1 . 1 177 177 GLN CB C 13 28.305 0.150 . . . . . . . 259 GLN CB . 27488 1 887 . 1 . 1 177 177 GLN N N 15 116.911 0.150 . . . . . . . 259 GLN N . 27488 1 888 . 1 . 1 178 178 LEU H H 1 7.987 0.015 . . . . . . . 260 LEU H . 27488 1 889 . 1 . 1 178 178 LEU HD11 H 1 0.797 0.015 . . . . . . . 260 LEU QD1 . 27488 1 890 . 1 . 1 178 178 LEU HD12 H 1 0.797 0.015 . . . . . . . 260 LEU QD1 . 27488 1 891 . 1 . 1 178 178 LEU HD13 H 1 0.797 0.015 . . . . . . . 260 LEU QD1 . 27488 1 892 . 1 . 1 178 178 LEU HD21 H 1 0.932 0.015 . . . . . . . 260 LEU QD2 . 27488 1 893 . 1 . 1 178 178 LEU HD22 H 1 0.932 0.015 . . . . . . . 260 LEU QD2 . 27488 1 894 . 1 . 1 178 178 LEU HD23 H 1 0.932 0.015 . . . . . . . 260 LEU QD2 . 27488 1 895 . 1 . 1 178 178 LEU C C 13 179.717 0.150 . . . . . . . 260 LEU C . 27488 1 896 . 1 . 1 178 178 LEU CA C 13 57.684 0.150 . . . . . . . 260 LEU CA . 27488 1 897 . 1 . 1 178 178 LEU CB C 13 42.427 0.150 . . . . . . . 260 LEU CB . 27488 1 898 . 1 . 1 178 178 LEU N N 15 118.337 0.150 . . . . . . . 260 LEU N . 27488 1 899 . 1 . 1 179 179 LEU H H 1 8.785 0.015 . . . . . . . 261 LEU H . 27488 1 900 . 1 . 1 179 179 LEU HD11 H 1 0.636 0.015 . . . . . . . 261 LEU QD1 . 27488 1 901 . 1 . 1 179 179 LEU HD12 H 1 0.636 0.015 . . . . . . . 261 LEU QD1 . 27488 1 902 . 1 . 1 179 179 LEU HD13 H 1 0.636 0.015 . . . . . . . 261 LEU QD1 . 27488 1 903 . 1 . 1 179 179 LEU HD21 H 1 0.942 0.015 . . . . . . . 261 LEU QD2 . 27488 1 904 . 1 . 1 179 179 LEU HD22 H 1 0.942 0.015 . . . . . . . 261 LEU QD2 . 27488 1 905 . 1 . 1 179 179 LEU HD23 H 1 0.942 0.015 . . . . . . . 261 LEU QD2 . 27488 1 906 . 1 . 1 179 179 LEU C C 13 178.901 0.150 . . . . . . . 261 LEU C . 27488 1 907 . 1 . 1 179 179 LEU CA C 13 58.004 0.150 . . . . . . . 261 LEU CA . 27488 1 908 . 1 . 1 179 179 LEU CB C 13 41.886 0.150 . . . . . . . 261 LEU CB . 27488 1 909 . 1 . 1 179 179 LEU N N 15 120.627 0.150 . . . . . . . 261 LEU N . 27488 1 910 . 1 . 1 180 180 LYS H H 1 8.186 0.015 . . . . . . . 262 LYS H . 27488 1 911 . 1 . 1 180 180 LYS HB2 H 1 1.751 0.015 . . . . . . . 262 LYS HB2 . 27488 1 912 . 1 . 1 180 180 LYS HB3 H 1 1.924 0.015 . . . . . . . 262 LYS HB3 . 27488 1 913 . 1 . 1 180 180 LYS HG2 H 1 1.434 0.015 . . . . . . . 262 LYS QG . 27488 1 914 . 1 . 1 180 180 LYS HG3 H 1 1.434 0.015 . . . . . . . 262 LYS QG . 27488 1 915 . 1 . 1 180 180 LYS C C 13 179.899 0.150 . . . . . . . 262 LYS C . 27488 1 916 . 1 . 1 180 180 LYS CA C 13 59.659 0.150 . . . . . . . 262 LYS CA . 27488 1 917 . 1 . 1 180 180 LYS CB C 13 32.096 0.150 . . . . . . . 262 LYS CB . 27488 1 918 . 1 . 1 180 180 LYS N N 15 118.396 0.150 . . . . . . . 262 LYS N . 27488 1 919 . 1 . 1 181 181 VAL H H 1 7.621 0.015 . . . . . . . 263 VAL H . 27488 1 920 . 1 . 1 181 181 VAL HB H 1 2.189 0.015 . . . . . . . 263 VAL HB . 27488 1 921 . 1 . 1 181 181 VAL HG11 H 1 0.967 0.015 . . . . . . . 263 VAL QG1 . 27488 1 922 . 1 . 1 181 181 VAL HG12 H 1 0.967 0.015 . . . . . . . 263 VAL QG1 . 27488 1 923 . 1 . 1 181 181 VAL HG13 H 1 0.967 0.015 . . . . . . . 263 VAL QG1 . 27488 1 924 . 1 . 1 181 181 VAL HG21 H 1 1.093 0.015 . . . . . . . 263 VAL QG2 . 27488 1 925 . 1 . 1 181 181 VAL HG22 H 1 1.093 0.015 . . . . . . . 263 VAL QG2 . 27488 1 926 . 1 . 1 181 181 VAL HG23 H 1 1.093 0.015 . . . . . . . 263 VAL QG2 . 27488 1 927 . 1 . 1 181 181 VAL C C 13 178.176 0.150 . . . . . . . 263 VAL C . 27488 1 928 . 1 . 1 181 181 VAL CA C 13 65.357 0.150 . . . . . . . 263 VAL CA . 27488 1 929 . 1 . 1 181 181 VAL CB C 13 31.881 0.150 . . . . . . . 263 VAL CB . 27488 1 930 . 1 . 1 181 181 VAL N N 15 118.676 0.150 . . . . . . . 263 VAL N . 27488 1 931 . 1 . 1 182 182 ALA HB1 H 1 1.389 0.015 . . . . . . . 264 ALA QB . 27488 1 932 . 1 . 1 182 182 ALA HB2 H 1 1.389 0.015 . . . . . . . 264 ALA QB . 27488 1 933 . 1 . 1 182 182 ALA HB3 H 1 1.389 0.015 . . . . . . . 264 ALA QB . 27488 1 934 . 1 . 1 182 182 ALA H H 1 7.542 0.015 . . . . . . . 264 ALA H . 27488 1 935 . 1 . 1 182 182 ALA C C 13 178.946 0.150 . . . . . . . 264 ALA C . 27488 1 936 . 1 . 1 182 182 ALA CA C 13 53.958 0.150 . . . . . . . 264 ALA CA . 27488 1 937 . 1 . 1 182 182 ALA CB C 13 18.619 0.150 . . . . . . . 264 ALA CB . 27488 1 938 . 1 . 1 182 182 ALA N N 15 122.555 0.150 . . . . . . . 264 ALA N . 27488 1 939 . 1 . 1 183 183 GLN H H 1 7.896 0.015 . . . . . . . 265 GLN H . 27488 1 940 . 1 . 1 183 183 GLN HB2 H 1 2.113 0.015 . . . . . . . 265 GLN QB . 27488 1 941 . 1 . 1 183 183 GLN HB3 H 1 2.113 0.015 . . . . . . . 265 GLN QB . 27488 1 942 . 1 . 1 183 183 GLN HG2 H 1 2.363 0.015 . . . . . . . 265 GLN HG2 . 27488 1 943 . 1 . 1 183 183 GLN HG3 H 1 2.538 0.015 . . . . . . . 265 GLN HG3 . 27488 1 944 . 1 . 1 183 183 GLN C C 13 175.954 0.150 . . . . . . . 265 GLN C . 27488 1 945 . 1 . 1 183 183 GLN CA C 13 56.829 0.150 . . . . . . . 265 GLN CA . 27488 1 946 . 1 . 1 183 183 GLN CB C 13 29.645 0.150 . . . . . . . 265 GLN CB . 27488 1 947 . 1 . 1 183 183 GLN N N 15 116.535 0.150 . . . . . . . 265 GLN N . 27488 1 948 . 1 . 1 184 184 ALA HB1 H 1 1.469 0.015 . . . . . . . 266 ALA QB . 27488 1 949 . 1 . 1 184 184 ALA HB2 H 1 1.469 0.015 . . . . . . . 266 ALA QB . 27488 1 950 . 1 . 1 184 184 ALA HB3 H 1 1.469 0.015 . . . . . . . 266 ALA QB . 27488 1 951 . 1 . 1 184 184 ALA H H 1 7.752 0.015 . . . . . . . 266 ALA H . 27488 1 952 . 1 . 1 184 184 ALA C C 13 176.863 0.150 . . . . . . . 266 ALA C . 27488 1 953 . 1 . 1 184 184 ALA CA C 13 52.667 0.150 . . . . . . . 266 ALA CA . 27488 1 954 . 1 . 1 184 184 ALA CB C 13 19.162 0.150 . . . . . . . 266 ALA CB . 27488 1 955 . 1 . 1 184 184 ALA N N 15 123.616 0.150 . . . . . . . 266 ALA N . 27488 1 956 . 1 . 1 185 185 SER H H 1 7.750 0.015 . . . . . . . 267 SER H . 27488 1 957 . 1 . 1 185 185 SER HB2 H 1 3.890 0.015 . . . . . . . 267 SER QB . 27488 1 958 . 1 . 1 185 185 SER HB3 H 1 3.890 0.015 . . . . . . . 267 SER QB . 27488 1 959 . 1 . 1 185 185 SER C C 13 178.699 0.150 . . . . . . . 267 SER C . 27488 1 960 . 1 . 1 185 185 SER CA C 13 60.338 0.150 . . . . . . . 267 SER CA . 27488 1 961 . 1 . 1 185 185 SER CB C 13 65.074 0.150 . . . . . . . 267 SER CB . 27488 1 962 . 1 . 1 185 185 SER N N 15 120.604 0.150 . . . . . . . 267 SER N . 27488 1 stop_ save_