data_4457 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4457 _Entry.Title ; Sequence-specific assignments and partial unfolding of extracellular domains II and III of E-cadherin. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-11-15 _Entry.Accession_date 1999-11-11 _Entry.Last_release_date 2000-03-17 _Entry.Original_release_date 2000-03-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Jean-Rene Alattia . . . 4457 2 Frances Tong . K. . 4457 3 Kit Tong . I. . 4457 4 Mitsuhiko Ikura . . . 4457 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4457 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 332 4457 '13C chemical shifts' 321 4457 '15N chemical shifts' 167 4457 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 . . 2000-03-17 1999-11-15 original author . 4457 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4457 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific resonance assignments and partial unfolding of extracellular domains II and III of E-cadherin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 181 _Citation.Page_last 182 _Citation.Year 2000 _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.Entry_ID _Citation_author.Citation_ID 1 Jean-Rene Alattia . . . 4457 1 2 Frances Tong . K. . 4457 1 3 Kit Tong . I. . 4457 1 4 Mitsuhiko Ikura . . . 4457 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 4457 1 'cell adhesion' 4457 1 calcium 4457 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_EC23 _Assembly.Sf_category assembly _Assembly.Sf_framecode EC23 _Assembly.Entry_ID 4457 _Assembly.ID 1 _Assembly.Name E-cadherin _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4457 1 stop_ 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 'E-cadherin domains 2-3' 1 $E-cadherin . . . native . . . . . 4457 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1EDH . 'A Chain A, E-Cadherin Domains 1 And 2 In Complex With Calcium' . . . . 4457 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID E-cadherin system 4457 1 EC23 abbreviation 4457 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cell-cell adhesion' 4457 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E-cadherin _Entity.Sf_category entity _Entity.Sf_framecode E-cadherin _Entity.Entry_ID 4457 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Epithelial Cadherin' _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 ; GSMTQEVFEGSVAEGAVPGT SVMKVSATDADDDVNTYNAA IAYTIVSQDPELPHKNMFTV NRDTGVISVLTSGLDRESYP TYTLVVQAADLQGEGLSTTA KAVITVKDINDNAPVFNPST YQGQVPENEVNARIATLKVT DDDAPNTPAWKAVYTVVNDP DQQFVVVTDPTTNDGILKTA KGLDFEAKQQYILHVRVENE EPFEGSLVPSTATVTVDVVD VNEAPIF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 227 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24355 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2008-01-16 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . . REF NP_033994.1 . 'cadherin 1 [Mus musculus]' . . . . . 25.68 884 99 99 10e-123 . . . . 4457 1 . . SWISS-PROT P09803 . 'CADH1_MOUSE Epithelial cadherin precursor(E-cadherin) (Uvomorulin) (Cadherin-1) (ARC-1) (CD324antigen) [Contains: E-Cad/' . . . . . 25.68 884 100 100 10e-124 . . . . 4457 1 . . GenBank EDL11373.1 . 'cadherin 1, isoform CRA_b [Musmusculus]' . . . . . 25.68 884 99 99 10e-123 . . . . 4457 1 . . PRF 1312359A . 'cadherin E' . . . . . 25.68 884 100 100 10e-124 . . . . 4457 1 . . GenBank AAH98501.1 . 'Cdh1 protein [Mus musculus]' . . . . . 25.68 884 100 100 10e-124 . . . . 4457 1 . . GenBank EDL11372.1 . 'cadherin 1, isoform CRA_a [Musmusculus]' . . . . . 25.68 884 100 100 10e-124 . . . . 4457 1 . . EMBL CAA29488.1 . 'unnamed protein product [Mus musculus]' . . . . . 25.68 884 100 100 10e-124 . . . . 4457 1 . . EMBL CAA43292.1 . 'uvomorulin [Mus musculus]' . . . . . 25.68 884 99 99 10e-123 . . . . 4457 1 . . PDB 1EDH . 'A Chain A, E-Cadherin Domains 1 And 2 InComplex With Calcium' . . . . . 100.44 226 100 100 1e-58 . . . . 4457 1 . . EMBL CAA29645.1 . 'uvomorulin (711 AA) [Mus musculus]' . . . . . 31.93 711 100 100 10e-124 . . . . 4457 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Epithelial Cadherin' common 4457 1 E-cadherin abbreviation 4457 1 stop_ 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 1 106 GLY . 4457 1 2 107 SER . 4457 1 3 108 MET . 4457 1 4 109 THR . 4457 1 5 110 GLN . 4457 1 6 111 GLU . 4457 1 7 112 VAL . 4457 1 8 113 PHE . 4457 1 9 114 GLU . 4457 1 10 115 GLY . 4457 1 11 116 SER . 4457 1 12 117 VAL . 4457 1 13 118 ALA . 4457 1 14 119 GLU . 4457 1 15 120 GLY . 4457 1 16 121 ALA . 4457 1 17 122 VAL . 4457 1 18 123 PRO . 4457 1 19 124 GLY . 4457 1 20 125 THR . 4457 1 21 126 SER . 4457 1 22 127 VAL . 4457 1 23 128 MET . 4457 1 24 129 LYS . 4457 1 25 130 VAL . 4457 1 26 131 SER . 4457 1 27 132 ALA . 4457 1 28 133 THR . 4457 1 29 134 ASP . 4457 1 30 135 ALA . 4457 1 31 136 ASP . 4457 1 32 137 ASP . 4457 1 33 138 ASP . 4457 1 34 139 VAL . 4457 1 35 140 ASN . 4457 1 36 141 THR . 4457 1 37 142 TYR . 4457 1 38 143 ASN . 4457 1 39 144 ALA . 4457 1 40 145 ALA . 4457 1 41 146 ILE . 4457 1 42 147 ALA . 4457 1 43 148 TYR . 4457 1 44 149 THR . 4457 1 45 150 ILE . 4457 1 46 151 VAL . 4457 1 47 152 SER . 4457 1 48 153 GLN . 4457 1 49 154 ASP . 4457 1 50 155 PRO . 4457 1 51 156 GLU . 4457 1 52 157 LEU . 4457 1 53 158 PRO . 4457 1 54 159 HIS . 4457 1 55 160 LYS . 4457 1 56 161 ASN . 4457 1 57 162 MET . 4457 1 58 163 PHE . 4457 1 59 164 THR . 4457 1 60 165 VAL . 4457 1 61 166 ASN . 4457 1 62 167 ARG . 4457 1 63 168 ASP . 4457 1 64 169 THR . 4457 1 65 170 GLY . 4457 1 66 171 VAL . 4457 1 67 172 ILE . 4457 1 68 173 SER . 4457 1 69 174 VAL . 4457 1 70 175 LEU . 4457 1 71 176 THR . 4457 1 72 177 SER . 4457 1 73 178 GLY . 4457 1 74 179 LEU . 4457 1 75 180 ASP . 4457 1 76 181 ARG . 4457 1 77 182 GLU . 4457 1 78 183 SER . 4457 1 79 184 TYR . 4457 1 80 185 PRO . 4457 1 81 186 THR . 4457 1 82 187 TYR . 4457 1 83 188 THR . 4457 1 84 189 LEU . 4457 1 85 190 VAL . 4457 1 86 191 VAL . 4457 1 87 192 GLN . 4457 1 88 193 ALA . 4457 1 89 194 ALA . 4457 1 90 195 ASP . 4457 1 91 196 LEU . 4457 1 92 197 GLN . 4457 1 93 198 GLY . 4457 1 94 199 GLU . 4457 1 95 200 GLY . 4457 1 96 201 LEU . 4457 1 97 202 SER . 4457 1 98 203 THR . 4457 1 99 204 THR . 4457 1 100 205 ALA . 4457 1 101 206 LYS . 4457 1 102 207 ALA . 4457 1 103 208 VAL . 4457 1 104 209 ILE . 4457 1 105 210 THR . 4457 1 106 211 VAL . 4457 1 107 212 LYS . 4457 1 108 213 ASP . 4457 1 109 214 ILE . 4457 1 110 215 ASN . 4457 1 111 216 ASP . 4457 1 112 217 ASN . 4457 1 113 218 ALA . 4457 1 114 219 PRO . 4457 1 115 220 VAL . 4457 1 116 221 PHE . 4457 1 117 222 ASN . 4457 1 118 223 PRO . 4457 1 119 224 SER . 4457 1 120 225 THR . 4457 1 121 226 TYR . 4457 1 122 227 GLN . 4457 1 123 228 GLY . 4457 1 124 229 GLN . 4457 1 125 230 VAL . 4457 1 126 231 PRO . 4457 1 127 232 GLU . 4457 1 128 233 ASN . 4457 1 129 234 GLU . 4457 1 130 235 VAL . 4457 1 131 236 ASN . 4457 1 132 237 ALA . 4457 1 133 238 ARG . 4457 1 134 239 ILE . 4457 1 135 240 ALA . 4457 1 136 241 THR . 4457 1 137 242 LEU . 4457 1 138 243 LYS . 4457 1 139 244 VAL . 4457 1 140 245 THR . 4457 1 141 246 ASP . 4457 1 142 247 ASP . 4457 1 143 248 ASP . 4457 1 144 249 ALA . 4457 1 145 250 PRO . 4457 1 146 251 ASN . 4457 1 147 252 THR . 4457 1 148 253 PRO . 4457 1 149 254 ALA . 4457 1 150 255 TRP . 4457 1 151 256 LYS . 4457 1 152 257 ALA . 4457 1 153 258 VAL . 4457 1 154 259 TYR . 4457 1 155 260 THR . 4457 1 156 261 VAL . 4457 1 157 262 VAL . 4457 1 158 263 ASN . 4457 1 159 264 ASP . 4457 1 160 265 PRO . 4457 1 161 266 ASP . 4457 1 162 267 GLN . 4457 1 163 268 GLN . 4457 1 164 269 PHE . 4457 1 165 270 VAL . 4457 1 166 271 VAL . 4457 1 167 272 VAL . 4457 1 168 273 THR . 4457 1 169 274 ASP . 4457 1 170 275 PRO . 4457 1 171 276 THR . 4457 1 172 277 THR . 4457 1 173 278 ASN . 4457 1 174 279 ASP . 4457 1 175 280 GLY . 4457 1 176 281 ILE . 4457 1 177 282 LEU . 4457 1 178 283 LYS . 4457 1 179 284 THR . 4457 1 180 285 ALA . 4457 1 181 286 LYS . 4457 1 182 287 GLY . 4457 1 183 288 LEU . 4457 1 184 289 ASP . 4457 1 185 290 PHE . 4457 1 186 291 GLU . 4457 1 187 292 ALA . 4457 1 188 293 LYS . 4457 1 189 294 GLN . 4457 1 190 295 GLN . 4457 1 191 296 TYR . 4457 1 192 297 ILE . 4457 1 193 298 LEU . 4457 1 194 299 HIS . 4457 1 195 300 VAL . 4457 1 196 301 ARG . 4457 1 197 302 VAL . 4457 1 198 303 GLU . 4457 1 199 304 ASN . 4457 1 200 305 GLU . 4457 1 201 306 GLU . 4457 1 202 307 PRO . 4457 1 203 308 PHE . 4457 1 204 309 GLU . 4457 1 205 310 GLY . 4457 1 206 311 SER . 4457 1 207 312 LEU . 4457 1 208 313 VAL . 4457 1 209 314 PRO . 4457 1 210 315 SER . 4457 1 211 316 THR . 4457 1 212 317 ALA . 4457 1 213 318 THR . 4457 1 214 319 VAL . 4457 1 215 320 THR . 4457 1 216 321 VAL . 4457 1 217 322 ASP . 4457 1 218 323 VAL . 4457 1 219 324 VAL . 4457 1 220 325 ASP . 4457 1 221 326 VAL . 4457 1 222 327 ASN . 4457 1 223 328 GLU . 4457 1 224 329 ALA . 4457 1 225 330 PRO . 4457 1 226 331 ILE . 4457 1 227 332 PHE . 4457 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 4457 1 . SER 2 2 4457 1 . MET 3 3 4457 1 . THR 4 4 4457 1 . GLN 5 5 4457 1 . GLU 6 6 4457 1 . VAL 7 7 4457 1 . PHE 8 8 4457 1 . GLU 9 9 4457 1 . GLY 10 10 4457 1 . SER 11 11 4457 1 . VAL 12 12 4457 1 . ALA 13 13 4457 1 . GLU 14 14 4457 1 . GLY 15 15 4457 1 . ALA 16 16 4457 1 . VAL 17 17 4457 1 . PRO 18 18 4457 1 . GLY 19 19 4457 1 . THR 20 20 4457 1 . SER 21 21 4457 1 . VAL 22 22 4457 1 . MET 23 23 4457 1 . LYS 24 24 4457 1 . VAL 25 25 4457 1 . SER 26 26 4457 1 . ALA 27 27 4457 1 . THR 28 28 4457 1 . ASP 29 29 4457 1 . ALA 30 30 4457 1 . ASP 31 31 4457 1 . ASP 32 32 4457 1 . ASP 33 33 4457 1 . VAL 34 34 4457 1 . ASN 35 35 4457 1 . THR 36 36 4457 1 . TYR 37 37 4457 1 . ASN 38 38 4457 1 . ALA 39 39 4457 1 . ALA 40 40 4457 1 . ILE 41 41 4457 1 . ALA 42 42 4457 1 . TYR 43 43 4457 1 . THR 44 44 4457 1 . ILE 45 45 4457 1 . VAL 46 46 4457 1 . SER 47 47 4457 1 . GLN 48 48 4457 1 . ASP 49 49 4457 1 . PRO 50 50 4457 1 . GLU 51 51 4457 1 . LEU 52 52 4457 1 . PRO 53 53 4457 1 . HIS 54 54 4457 1 . LYS 55 55 4457 1 . ASN 56 56 4457 1 . MET 57 57 4457 1 . PHE 58 58 4457 1 . THR 59 59 4457 1 . VAL 60 60 4457 1 . ASN 61 61 4457 1 . ARG 62 62 4457 1 . ASP 63 63 4457 1 . THR 64 64 4457 1 . GLY 65 65 4457 1 . VAL 66 66 4457 1 . ILE 67 67 4457 1 . SER 68 68 4457 1 . VAL 69 69 4457 1 . LEU 70 70 4457 1 . THR 71 71 4457 1 . SER 72 72 4457 1 . GLY 73 73 4457 1 . LEU 74 74 4457 1 . ASP 75 75 4457 1 . ARG 76 76 4457 1 . GLU 77 77 4457 1 . SER 78 78 4457 1 . TYR 79 79 4457 1 . PRO 80 80 4457 1 . THR 81 81 4457 1 . TYR 82 82 4457 1 . THR 83 83 4457 1 . LEU 84 84 4457 1 . VAL 85 85 4457 1 . VAL 86 86 4457 1 . GLN 87 87 4457 1 . ALA 88 88 4457 1 . ALA 89 89 4457 1 . ASP 90 90 4457 1 . LEU 91 91 4457 1 . GLN 92 92 4457 1 . GLY 93 93 4457 1 . GLU 94 94 4457 1 . GLY 95 95 4457 1 . LEU 96 96 4457 1 . SER 97 97 4457 1 . THR 98 98 4457 1 . THR 99 99 4457 1 . ALA 100 100 4457 1 . LYS 101 101 4457 1 . ALA 102 102 4457 1 . VAL 103 103 4457 1 . ILE 104 104 4457 1 . THR 105 105 4457 1 . VAL 106 106 4457 1 . LYS 107 107 4457 1 . ASP 108 108 4457 1 . ILE 109 109 4457 1 . ASN 110 110 4457 1 . ASP 111 111 4457 1 . ASN 112 112 4457 1 . ALA 113 113 4457 1 . PRO 114 114 4457 1 . VAL 115 115 4457 1 . PHE 116 116 4457 1 . ASN 117 117 4457 1 . PRO 118 118 4457 1 . SER 119 119 4457 1 . THR 120 120 4457 1 . TYR 121 121 4457 1 . GLN 122 122 4457 1 . GLY 123 123 4457 1 . GLN 124 124 4457 1 . VAL 125 125 4457 1 . PRO 126 126 4457 1 . GLU 127 127 4457 1 . ASN 128 128 4457 1 . GLU 129 129 4457 1 . VAL 130 130 4457 1 . ASN 131 131 4457 1 . ALA 132 132 4457 1 . ARG 133 133 4457 1 . ILE 134 134 4457 1 . ALA 135 135 4457 1 . THR 136 136 4457 1 . LEU 137 137 4457 1 . LYS 138 138 4457 1 . VAL 139 139 4457 1 . THR 140 140 4457 1 . ASP 141 141 4457 1 . ASP 142 142 4457 1 . ASP 143 143 4457 1 . ALA 144 144 4457 1 . PRO 145 145 4457 1 . ASN 146 146 4457 1 . THR 147 147 4457 1 . PRO 148 148 4457 1 . ALA 149 149 4457 1 . TRP 150 150 4457 1 . LYS 151 151 4457 1 . ALA 152 152 4457 1 . VAL 153 153 4457 1 . TYR 154 154 4457 1 . THR 155 155 4457 1 . VAL 156 156 4457 1 . VAL 157 157 4457 1 . ASN 158 158 4457 1 . ASP 159 159 4457 1 . PRO 160 160 4457 1 . ASP 161 161 4457 1 . GLN 162 162 4457 1 . GLN 163 163 4457 1 . PHE 164 164 4457 1 . VAL 165 165 4457 1 . VAL 166 166 4457 1 . VAL 167 167 4457 1 . THR 168 168 4457 1 . ASP 169 169 4457 1 . PRO 170 170 4457 1 . THR 171 171 4457 1 . THR 172 172 4457 1 . ASN 173 173 4457 1 . ASP 174 174 4457 1 . GLY 175 175 4457 1 . ILE 176 176 4457 1 . LEU 177 177 4457 1 . LYS 178 178 4457 1 . THR 179 179 4457 1 . ALA 180 180 4457 1 . LYS 181 181 4457 1 . GLY 182 182 4457 1 . LEU 183 183 4457 1 . ASP 184 184 4457 1 . PHE 185 185 4457 1 . GLU 186 186 4457 1 . ALA 187 187 4457 1 . LYS 188 188 4457 1 . GLN 189 189 4457 1 . GLN 190 190 4457 1 . TYR 191 191 4457 1 . ILE 192 192 4457 1 . LEU 193 193 4457 1 . HIS 194 194 4457 1 . VAL 195 195 4457 1 . ARG 196 196 4457 1 . VAL 197 197 4457 1 . GLU 198 198 4457 1 . ASN 199 199 4457 1 . GLU 200 200 4457 1 . GLU 201 201 4457 1 . PRO 202 202 4457 1 . PHE 203 203 4457 1 . GLU 204 204 4457 1 . GLY 205 205 4457 1 . SER 206 206 4457 1 . LEU 207 207 4457 1 . VAL 208 208 4457 1 . PRO 209 209 4457 1 . SER 210 210 4457 1 . THR 211 211 4457 1 . ALA 212 212 4457 1 . THR 213 213 4457 1 . VAL 214 214 4457 1 . THR 215 215 4457 1 . VAL 216 216 4457 1 . ASP 217 217 4457 1 . VAL 218 218 4457 1 . VAL 219 219 4457 1 . ASP 220 220 4457 1 . VAL 221 221 4457 1 . ASN 222 222 4457 1 . GLU 223 223 4457 1 . ALA 224 224 4457 1 . PRO 225 225 4457 1 . ILE 226 226 4457 1 . PHE 227 227 4457 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 4457 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $E-cadherin . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . epithelium . . . . . . . . . . . . . . . . 4457 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 4457 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $E-cadherin . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . 'pET 15b (modified)' . . . . . . 4457 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ec23_274c _Sample.Sf_category sample _Sample.Sf_framecode ec23_274c _Sample.Entry_ID 4457 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Epithelial Cadherin' . . . 1 $E-cadherin . . 2.0 . . mM . . . . 4457 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_274c _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_274c _Sample_condition_list.Entry_ID 4457 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.2 n/a 4457 1 temperature 298 1 K 4457 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4457 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 4457 1 stop_ save_ save_nmrview _Software.Sf_category software _Software.Sf_framecode nmrview _Software.Entry_ID 4457 _Software.ID 2 _Software.Name nmrview _Software.Version 3.0b4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 4457 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4457 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4457 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4457 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Varian Inova . 500 . . . 4457 1 2 NMR_spectrometer2 Varian Inova . 600 . . . 4457 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 4457 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 2 '1H-15N DIPSI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 3 HBCBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 6 HBCBCACOCAHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 8 CCCTOCSY_NNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 9 '15N-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4457 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N DIPSI' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HBCBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBCBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCCTOCSY_NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4457 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4457 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4457 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4457 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4457 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_curr_side_assign.16 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode curr_side_assign.16 _Assigned_chem_shift_list.Entry_ID 4457 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_274c _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $ec23_274c . 4457 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 GLN N N 15 117.48 0.20 . 1 . . . . . . . . 4457 1 2 . 1 1 5 5 GLN H H 1 7.33 0.02 . 1 . . . . . . . . 4457 1 3 . 1 1 5 5 GLN CA C 13 53.88 0.20 . 1 . . . . . . . . 4457 1 4 . 1 1 5 5 GLN HA H 1 4.46 0.02 . 1 . . . . . . . . 4457 1 5 . 1 1 5 5 GLN CB C 13 30.60 0.20 . 1 . . . . . . . . 4457 1 6 . 1 1 8 8 PHE N N 15 125.25 0.20 . 1 . . . . . . . . 4457 1 7 . 1 1 8 8 PHE H H 1 8.34 0.02 . 1 . . . . . . . . 4457 1 8 . 1 1 8 8 PHE CA C 13 57.30 0.20 . 1 . . . . . . . . 4457 1 9 . 1 1 8 8 PHE HA H 1 4.65 0.02 . 1 . . . . . . . . 4457 1 10 . 1 1 8 8 PHE CB C 13 39.76 0.20 . 1 . . . . . . . . 4457 1 11 . 1 1 9 9 GLU N N 15 124.18 0.20 . 1 . . . . . . . . 4457 1 12 . 1 1 9 9 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4457 1 13 . 1 1 9 9 GLU CA C 13 56.71 0.20 . 1 . . . . . . . . 4457 1 14 . 1 1 9 9 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4457 1 15 . 1 1 9 9 GLU CB C 13 30.16 0.20 . 1 . . . . . . . . 4457 1 16 . 1 1 10 10 GLY N N 15 110.03 0.20 . 1 . . . . . . . . 4457 1 17 . 1 1 10 10 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 4457 1 18 . 1 1 10 10 GLY CA C 13 45.18 0.20 . 1 . . . . . . . . 4457 1 19 . 1 1 10 10 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 4457 1 20 . 1 1 10 10 GLY HA3 H 1 3.95 0.02 . 1 . . . . . . . . 4457 1 21 . 1 1 11 11 SER N N 15 113.65 0.20 . 1 . . . . . . . . 4457 1 22 . 1 1 11 11 SER H H 1 8.63 0.02 . 1 . . . . . . . . 4457 1 23 . 1 1 11 11 SER CA C 13 56.87 0.20 . 1 . . . . . . . . 4457 1 24 . 1 1 11 11 SER HA H 1 5.74 0.02 . 1 . . . . . . . . 4457 1 25 . 1 1 11 11 SER CB C 13 66.65 0.20 . 1 . . . . . . . . 4457 1 26 . 1 1 12 12 VAL N N 15 119.86 0.20 . 1 . . . . . . . . 4457 1 27 . 1 1 12 12 VAL H H 1 8.68 0.02 . 1 . . . . . . . . 4457 1 28 . 1 1 12 12 VAL CA C 13 58.82 0.20 . 1 . . . . . . . . 4457 1 29 . 1 1 12 12 VAL HA H 1 4.56 0.02 . 1 . . . . . . . . 4457 1 30 . 1 1 12 12 VAL CB C 13 35.49 0.20 . 1 . . . . . . . . 4457 1 31 . 1 1 13 13 ALA N N 15 130.94 0.20 . 1 . . . . . . . . 4457 1 32 . 1 1 13 13 ALA H H 1 8.68 0.02 . 1 . . . . . . . . 4457 1 33 . 1 1 13 13 ALA CA C 13 51.78 0.20 . 1 . . . . . . . . 4457 1 34 . 1 1 13 13 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 4457 1 35 . 1 1 13 13 ALA CB C 13 19.44 0.20 . 1 . . . . . . . . 4457 1 36 . 1 1 14 14 GLU N N 15 119.66 0.20 . 1 . . . . . . . . 4457 1 37 . 1 1 14 14 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 4457 1 38 . 1 1 14 14 GLU CA C 13 57.52 0.20 . 1 . . . . . . . . 4457 1 39 . 1 1 14 14 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 4457 1 40 . 1 1 14 14 GLU CB C 13 29.50 0.20 . 1 . . . . . . . . 4457 1 41 . 1 1 15 15 GLY N N 15 108.26 0.20 . 1 . . . . . . . . 4457 1 42 . 1 1 15 15 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 4457 1 43 . 1 1 15 15 GLY CA C 13 44.84 0.20 . 1 . . . . . . . . 4457 1 44 . 1 1 16 16 ALA N N 15 122.89 0.20 . 1 . . . . . . . . 4457 1 45 . 1 1 16 16 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 4457 1 46 . 1 1 16 16 ALA CA C 13 52.82 0.20 . 1 . . . . . . . . 4457 1 47 . 1 1 16 16 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4457 1 48 . 1 1 16 16 ALA CB C 13 19.62 0.20 . 1 . . . . . . . . 4457 1 49 . 1 1 17 17 VAL N N 15 115.45 0.20 . 1 . . . . . . . . 4457 1 50 . 1 1 17 17 VAL H H 1 7.73 0.02 . 1 . . . . . . . . 4457 1 51 . 1 1 17 17 VAL CA C 13 59.12 0.20 . 1 . . . . . . . . 4457 1 52 . 1 1 17 17 VAL HA H 1 4.49 0.02 . 1 . . . . . . . . 4457 1 53 . 1 1 17 17 VAL CB C 13 30.99 0.20 . 1 . . . . . . . . 4457 1 54 . 1 1 19 19 GLY N N 15 113.26 0.20 . 1 . . . . . . . . 4457 1 55 . 1 1 19 19 GLY H H 1 9.10 0.02 . 1 . . . . . . . . 4457 1 56 . 1 1 19 19 GLY CA C 13 44.24 0.20 . 1 . . . . . . . . 4457 1 57 . 1 1 19 19 GLY HA2 H 1 4.51 0.02 . 1 . . . . . . . . 4457 1 58 . 1 1 19 19 GLY HA3 H 1 4.51 0.02 . 1 . . . . . . . . 4457 1 59 . 1 1 20 20 THR N N 15 118.94 0.20 . 1 . . . . . . . . 4457 1 60 . 1 1 20 20 THR H H 1 7.76 0.02 . 1 . . . . . . . . 4457 1 61 . 1 1 20 20 THR CA C 13 64.40 0.20 . 1 . . . . . . . . 4457 1 62 . 1 1 20 20 THR HA H 1 4.07 0.02 . 1 . . . . . . . . 4457 1 63 . 1 1 20 20 THR CB C 13 69.63 0.20 . 1 . . . . . . . . 4457 1 64 . 1 1 21 21 SER N N 15 125.87 0.20 . 1 . . . . . . . . 4457 1 65 . 1 1 21 21 SER H H 1 9.10 0.02 . 1 . . . . . . . . 4457 1 66 . 1 1 21 21 SER CA C 13 59.41 0.20 . 1 . . . . . . . . 4457 1 67 . 1 1 21 21 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4457 1 68 . 1 1 21 21 SER CB C 13 63.31 0.20 . 1 . . . . . . . . 4457 1 69 . 1 1 22 22 VAL N N 15 123.46 0.20 . 1 . . . . . . . . 4457 1 70 . 1 1 22 22 VAL H H 1 9.33 0.02 . 1 . . . . . . . . 4457 1 71 . 1 1 22 22 VAL CA C 13 64.31 0.20 . 1 . . . . . . . . 4457 1 72 . 1 1 22 22 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 4457 1 73 . 1 1 22 22 VAL CB C 13 34.26 0.20 . 1 . . . . . . . . 4457 1 74 . 1 1 23 23 MET N N 15 110.87 0.20 . 1 . . . . . . . . 4457 1 75 . 1 1 23 23 MET H H 1 7.52 0.02 . 1 . . . . . . . . 4457 1 76 . 1 1 23 23 MET CA C 13 54.67 0.20 . 1 . . . . . . . . 4457 1 77 . 1 1 23 23 MET HA H 1 4.63 0.02 . 1 . . . . . . . . 4457 1 78 . 1 1 23 23 MET CB C 13 34.27 0.20 . 1 . . . . . . . . 4457 1 79 . 1 1 26 26 SER N N 15 112.05 0.20 . 1 . . . . . . . . 4457 1 80 . 1 1 26 26 SER H H 1 6.14 0.02 . 1 . . . . . . . . 4457 1 81 . 1 1 26 26 SER CA C 13 56.67 0.20 . 1 . . . . . . . . 4457 1 82 . 1 1 26 26 SER HA H 1 4.82 0.02 . 1 . . . . . . . . 4457 1 83 . 1 1 26 26 SER CB C 13 65.51 0.20 . 1 . . . . . . . . 4457 1 84 . 1 1 27 27 ALA N N 15 127.00 0.20 . 1 . . . . . . . . 4457 1 85 . 1 1 27 27 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 4457 1 86 . 1 1 27 27 ALA CA C 13 51.22 0.20 . 1 . . . . . . . . 4457 1 87 . 1 1 27 27 ALA HA H 1 4.97 0.02 . 1 . . . . . . . . 4457 1 88 . 1 1 27 27 ALA CB C 13 20.97 0.20 . 1 . . . . . . . . 4457 1 89 . 1 1 28 28 THR N N 15 112.17 0.20 . 1 . . . . . . . . 4457 1 90 . 1 1 28 28 THR H H 1 8.18 0.02 . 1 . . . . . . . . 4457 1 91 . 1 1 28 28 THR CA C 13 60.20 0.20 . 1 . . . . . . . . 4457 1 92 . 1 1 28 28 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 4457 1 93 . 1 1 28 28 THR CB C 13 70.39 0.20 . 1 . . . . . . . . 4457 1 94 . 1 1 30 30 ALA N N 15 125.50 0.20 . 1 . . . . . . . . 4457 1 95 . 1 1 30 30 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 4457 1 96 . 1 1 30 30 ALA CA C 13 52.83 0.20 . 1 . . . . . . . . 4457 1 97 . 1 1 30 30 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4457 1 98 . 1 1 30 30 ALA CB C 13 19.38 0.20 . 1 . . . . . . . . 4457 1 99 . 1 1 31 31 ASP N N 15 120.00 0.20 . 1 . . . . . . . . 4457 1 100 . 1 1 31 31 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 4457 1 101 . 1 1 31 31 ASP CA C 13 54.41 0.20 . 1 . . . . . . . . 4457 1 102 . 1 1 31 31 ASP CB C 13 40.94 0.20 . 1 . . . . . . . . 4457 1 103 . 1 1 34 34 VAL N N 15 120.20 0.20 . 1 . . . . . . . . 4457 1 104 . 1 1 34 34 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4457 1 105 . 1 1 34 34 VAL CA C 13 62.73 0.20 . 1 . . . . . . . . 4457 1 106 . 1 1 34 34 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 4457 1 107 . 1 1 34 34 VAL CB C 13 32.30 0.20 . 1 . . . . . . . . 4457 1 108 . 1 1 35 35 ASN N N 15 120.72 0.20 . 1 . . . . . . . . 4457 1 109 . 1 1 35 35 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 4457 1 110 . 1 1 35 35 ASN CA C 13 53.38 0.20 . 1 . . . . . . . . 4457 1 111 . 1 1 35 35 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 4457 1 112 . 1 1 35 35 ASN CB C 13 38.80 0.20 . 1 . . . . . . . . 4457 1 113 . 1 1 36 36 THR N N 15 114.34 0.20 . 1 . . . . . . . . 4457 1 114 . 1 1 36 36 THR H H 1 7.96 0.02 . 1 . . . . . . . . 4457 1 115 . 1 1 36 36 THR CA C 13 61.93 0.20 . 1 . . . . . . . . 4457 1 116 . 1 1 36 36 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4457 1 117 . 1 1 36 36 THR CB C 13 69.48 0.20 . 1 . . . . . . . . 4457 1 118 . 1 1 37 37 TYR N N 15 122.42 0.20 . 1 . . . . . . . . 4457 1 119 . 1 1 37 37 TYR H H 1 8.12 0.02 . 1 . . . . . . . . 4457 1 120 . 1 1 37 37 TYR CA C 13 57.74 0.20 . 1 . . . . . . . . 4457 1 121 . 1 1 37 37 TYR HA H 1 4.60 0.02 . 1 . . . . . . . . 4457 1 122 . 1 1 37 37 TYR CB C 13 38.32 0.20 . 1 . . . . . . . . 4457 1 123 . 1 1 39 39 ALA N N 15 125.09 0.20 . 1 . . . . . . . . 4457 1 124 . 1 1 39 39 ALA H H 1 8.09 0.02 . 1 . . . . . . . . 4457 1 125 . 1 1 39 39 ALA CA C 13 52.39 0.20 . 1 . . . . . . . . 4457 1 126 . 1 1 39 39 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4457 1 127 . 1 1 39 39 ALA CB C 13 19.39 0.20 . 1 . . . . . . . . 4457 1 128 . 1 1 40 40 ALA N N 15 124.70 0.20 . 1 . . . . . . . . 4457 1 129 . 1 1 40 40 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 4457 1 130 . 1 1 40 40 ALA CA C 13 51.72 0.20 . 1 . . . . . . . . 4457 1 131 . 1 1 40 40 ALA HA H 1 4.51 0.02 . 1 . . . . . . . . 4457 1 132 . 1 1 40 40 ALA CB C 13 19.31 0.20 . 1 . . . . . . . . 4457 1 133 . 1 1 41 41 ILE N N 15 121.74 0.20 . 1 . . . . . . . . 4457 1 134 . 1 1 41 41 ILE H H 1 7.60 0.02 . 1 . . . . . . . . 4457 1 135 . 1 1 41 41 ILE CA C 13 58.99 0.20 . 1 . . . . . . . . 4457 1 136 . 1 1 41 41 ILE HA H 1 4.55 0.02 . 1 . . . . . . . . 4457 1 137 . 1 1 41 41 ILE CB C 13 40.20 0.20 . 1 . . . . . . . . 4457 1 138 . 1 1 42 42 ALA N N 15 127.61 0.20 . 1 . . . . . . . . 4457 1 139 . 1 1 42 42 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 4457 1 140 . 1 1 42 42 ALA CA C 13 49.69 0.20 . 1 . . . . . . . . 4457 1 141 . 1 1 42 42 ALA HA H 1 5.25 0.02 . 1 . . . . . . . . 4457 1 142 . 1 1 42 42 ALA CB C 13 21.57 0.20 . 1 . . . . . . . . 4457 1 143 . 1 1 43 43 TYR N N 15 125.99 0.20 . 1 . . . . . . . . 4457 1 144 . 1 1 43 43 TYR H H 1 9.56 0.02 . 1 . . . . . . . . 4457 1 145 . 1 1 43 43 TYR CA C 13 57.42 0.20 . 1 . . . . . . . . 4457 1 146 . 1 1 43 43 TYR HA H 1 5.63 0.02 . 1 . . . . . . . . 4457 1 147 . 1 1 43 43 TYR CB C 13 40.65 0.20 . 1 . . . . . . . . 4457 1 148 . 1 1 44 44 THR N N 15 112.28 0.20 . 1 . . . . . . . . 4457 1 149 . 1 1 44 44 THR H H 1 8.90 0.02 . 1 . . . . . . . . 4457 1 150 . 1 1 44 44 THR CA C 13 60.46 0.20 . 1 . . . . . . . . 4457 1 151 . 1 1 44 44 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4457 1 152 . 1 1 44 44 THR CB C 13 72.62 0.20 . 1 . . . . . . . . 4457 1 153 . 1 1 45 45 ILE N N 15 123.36 0.20 . 1 . . . . . . . . 4457 1 154 . 1 1 45 45 ILE H H 1 8.80 0.02 . 1 . . . . . . . . 4457 1 155 . 1 1 45 45 ILE CA C 13 61.91 0.20 . 1 . . . . . . . . 4457 1 156 . 1 1 45 45 ILE HA H 1 4.44 0.02 . 1 . . . . . . . . 4457 1 157 . 1 1 45 45 ILE CB C 13 38.70 0.20 . 1 . . . . . . . . 4457 1 158 . 1 1 46 46 VAL N N 15 127.86 0.20 . 1 . . . . . . . . 4457 1 159 . 1 1 46 46 VAL H H 1 9.26 0.02 . 1 . . . . . . . . 4457 1 160 . 1 1 46 46 VAL CA C 13 63.04 0.20 . 1 . . . . . . . . 4457 1 161 . 1 1 46 46 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 4457 1 162 . 1 1 46 46 VAL CB C 13 32.74 0.20 . 1 . . . . . . . . 4457 1 163 . 1 1 47 47 SER N N 15 111.94 0.20 . 1 . . . . . . . . 4457 1 164 . 1 1 47 47 SER H H 1 7.49 0.02 . 1 . . . . . . . . 4457 1 165 . 1 1 47 47 SER CA C 13 57.53 0.20 . 1 . . . . . . . . 4457 1 166 . 1 1 47 47 SER HA H 1 4.68 0.02 . 1 . . . . . . . . 4457 1 167 . 1 1 47 47 SER CB C 13 64.98 0.20 . 1 . . . . . . . . 4457 1 168 . 1 1 48 48 GLN N N 15 122.02 0.20 . 1 . . . . . . . . 4457 1 169 . 1 1 48 48 GLN H H 1 8.60 0.02 . 1 . . . . . . . . 4457 1 170 . 1 1 48 48 GLN CA C 13 55.39 0.20 . 1 . . . . . . . . 4457 1 171 . 1 1 48 48 GLN HA H 1 4.83 0.02 . 1 . . . . . . . . 4457 1 172 . 1 1 48 48 GLN CB C 13 34.18 0.20 . 1 . . . . . . . . 4457 1 173 . 1 1 49 49 ASP N N 15 126.41 0.20 . 1 . . . . . . . . 4457 1 174 . 1 1 49 49 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 4457 1 175 . 1 1 49 49 ASP CA C 13 55.38 0.20 . 1 . . . . . . . . 4457 1 176 . 1 1 49 49 ASP HA H 1 5.24 0.02 . 1 . . . . . . . . 4457 1 177 . 1 1 49 49 ASP CB C 13 44.91 0.20 . 1 . . . . . . . . 4457 1 178 . 1 1 51 51 GLU N N 15 122.44 0.20 . 1 . . . . . . . . 4457 1 179 . 1 1 51 51 GLU H H 1 9.19 0.02 . 1 . . . . . . . . 4457 1 180 . 1 1 51 51 GLU CA C 13 55.93 0.20 . 1 . . . . . . . . 4457 1 181 . 1 1 51 51 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 4457 1 182 . 1 1 51 51 GLU CB C 13 28.14 0.20 . 1 . . . . . . . . 4457 1 183 . 1 1 52 52 LEU N N 15 115.38 0.20 . 1 . . . . . . . . 4457 1 184 . 1 1 52 52 LEU H H 1 6.33 0.02 . 1 . . . . . . . . 4457 1 185 . 1 1 52 52 LEU CA C 13 51.55 0.20 . 1 . . . . . . . . 4457 1 186 . 1 1 52 52 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 4457 1 187 . 1 1 52 52 LEU CB C 13 45.14 0.20 . 1 . . . . . . . . 4457 1 188 . 1 1 54 54 HIS N N 15 118.47 0.20 . 1 . . . . . . . . 4457 1 189 . 1 1 54 54 HIS H H 1 6.93 0.02 . 1 . . . . . . . . 4457 1 190 . 1 1 54 54 HIS CA C 13 54.20 0.20 . 1 . . . . . . . . 4457 1 191 . 1 1 54 54 HIS HA H 1 4.77 0.02 . 1 . . . . . . . . 4457 1 192 . 1 1 54 54 HIS CB C 13 33.80 0.20 . 1 . . . . . . . . 4457 1 193 . 1 1 56 56 ASN N N 15 116.33 0.20 . 1 . . . . . . . . 4457 1 194 . 1 1 56 56 ASN H H 1 8.59 0.02 . 1 . . . . . . . . 4457 1 195 . 1 1 56 56 ASN CA C 13 51.59 0.20 . 1 . . . . . . . . 4457 1 196 . 1 1 56 56 ASN HA H 1 5.07 0.02 . 1 . . . . . . . . 4457 1 197 . 1 1 56 56 ASN CB C 13 39.10 0.20 . 1 . . . . . . . . 4457 1 198 . 1 1 57 57 MET N N 15 118.98 0.20 . 1 . . . . . . . . 4457 1 199 . 1 1 57 57 MET H H 1 9.29 0.02 . 1 . . . . . . . . 4457 1 200 . 1 1 57 57 MET CA C 13 54.86 0.20 . 1 . . . . . . . . 4457 1 201 . 1 1 57 57 MET HA H 1 4.24 0.02 . 1 . . . . . . . . 4457 1 202 . 1 1 57 57 MET CB C 13 29.55 0.20 . 1 . . . . . . . . 4457 1 203 . 1 1 58 58 PHE N N 15 116.00 0.20 . 1 . . . . . . . . 4457 1 204 . 1 1 58 58 PHE H H 1 8.19 0.02 . 1 . . . . . . . . 4457 1 205 . 1 1 58 58 PHE CA C 13 55.68 0.20 . 1 . . . . . . . . 4457 1 206 . 1 1 58 58 PHE HA H 1 5.14 0.02 . 1 . . . . . . . . 4457 1 207 . 1 1 58 58 PHE CB C 13 42.17 0.20 . 1 . . . . . . . . 4457 1 208 . 1 1 59 59 THR N N 15 112.98 0.20 . 1 . . . . . . . . 4457 1 209 . 1 1 59 59 THR H H 1 8.77 0.02 . 1 . . . . . . . . 4457 1 210 . 1 1 59 59 THR CA C 13 58.84 0.20 . 1 . . . . . . . . 4457 1 211 . 1 1 59 59 THR HA H 1 4.71 0.02 . 1 . . . . . . . . 4457 1 212 . 1 1 59 59 THR CB C 13 69.58 0.20 . 1 . . . . . . . . 4457 1 213 . 1 1 60 60 VAL N N 15 123.59 0.20 . 1 . . . . . . . . 4457 1 214 . 1 1 60 60 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 4457 1 215 . 1 1 60 60 VAL CA C 13 57.03 0.20 . 1 . . . . . . . . 4457 1 216 . 1 1 60 60 VAL HA H 1 5.23 0.02 . 1 . . . . . . . . 4457 1 217 . 1 1 60 60 VAL CB C 13 35.47 0.20 . 1 . . . . . . . . 4457 1 218 . 1 1 61 61 ASN N N 15 128.39 0.20 . 1 . . . . . . . . 4457 1 219 . 1 1 61 61 ASN H H 1 8.17 0.02 . 1 . . . . . . . . 4457 1 220 . 1 1 61 61 ASN CA C 13 53.81 0.20 . 1 . . . . . . . . 4457 1 221 . 1 1 61 61 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 4457 1 222 . 1 1 61 61 ASN CB C 13 39.35 0.20 . 1 . . . . . . . . 4457 1 223 . 1 1 62 62 ARG N N 15 130.27 0.20 . 1 . . . . . . . . 4457 1 224 . 1 1 62 62 ARG H H 1 8.95 0.02 . 1 . . . . . . . . 4457 1 225 . 1 1 62 62 ARG CA C 13 58.30 0.20 . 1 . . . . . . . . 4457 1 226 . 1 1 62 62 ARG HA H 1 4.83 0.02 . 1 . . . . . . . . 4457 1 227 . 1 1 62 62 ARG CB C 13 31.40 0.20 . 1 . . . . . . . . 4457 1 228 . 1 1 63 63 ASP N N 15 112.08 0.20 . 1 . . . . . . . . 4457 1 229 . 1 1 63 63 ASP H H 1 8.09 0.02 . 1 . . . . . . . . 4457 1 230 . 1 1 63 63 ASP CA C 13 55.38 0.20 . 1 . . . . . . . . 4457 1 231 . 1 1 63 63 ASP HA H 1 5.12 0.02 . 1 . . . . . . . . 4457 1 232 . 1 1 63 63 ASP CB C 13 42.75 0.20 . 1 . . . . . . . . 4457 1 233 . 1 1 64 64 THR N N 15 108.33 0.20 . 1 . . . . . . . . 4457 1 234 . 1 1 64 64 THR H H 1 8.17 0.02 . 1 . . . . . . . . 4457 1 235 . 1 1 64 64 THR CA C 13 61.70 0.20 . 1 . . . . . . . . 4457 1 236 . 1 1 64 64 THR HA H 1 4.55 0.02 . 1 . . . . . . . . 4457 1 237 . 1 1 64 64 THR CB C 13 70.96 0.20 . 1 . . . . . . . . 4457 1 238 . 1 1 65 65 GLY N N 15 110.40 0.20 . 1 . . . . . . . . 4457 1 239 . 1 1 65 65 GLY H H 1 8.09 0.02 . 1 . . . . . . . . 4457 1 240 . 1 1 65 65 GLY CA C 13 44.84 0.20 . 1 . . . . . . . . 4457 1 241 . 1 1 65 65 GLY HA2 H 1 3.26 0.02 . 1 . . . . . . . . 4457 1 242 . 1 1 65 65 GLY HA3 H 1 3.26 0.02 . 1 . . . . . . . . 4457 1 243 . 1 1 66 66 VAL N N 15 118.86 0.20 . 1 . . . . . . . . 4457 1 244 . 1 1 66 66 VAL H H 1 7.17 0.02 . 1 . . . . . . . . 4457 1 245 . 1 1 66 66 VAL CA C 13 63.55 0.20 . 1 . . . . . . . . 4457 1 246 . 1 1 66 66 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 4457 1 247 . 1 1 66 66 VAL CB C 13 32.43 0.20 . 1 . . . . . . . . 4457 1 248 . 1 1 67 67 ILE N N 15 110.44 0.20 . 1 . . . . . . . . 4457 1 249 . 1 1 67 67 ILE H H 1 9.46 0.02 . 1 . . . . . . . . 4457 1 250 . 1 1 67 67 ILE CA C 13 60.01 0.20 . 1 . . . . . . . . 4457 1 251 . 1 1 67 67 ILE HA H 1 5.03 0.02 . 1 . . . . . . . . 4457 1 252 . 1 1 67 67 ILE CB C 13 38.64 0.20 . 1 . . . . . . . . 4457 1 253 . 1 1 68 68 SER N N 15 121.70 0.20 . 1 . . . . . . . . 4457 1 254 . 1 1 68 68 SER H H 1 9.06 0.02 . 1 . . . . . . . . 4457 1 255 . 1 1 68 68 SER CA C 13 56.17 0.20 . 1 . . . . . . . . 4457 1 256 . 1 1 68 68 SER HA H 1 5.49 0.02 . 1 . . . . . . . . 4457 1 257 . 1 1 68 68 SER CB C 13 66.24 0.20 . 1 . . . . . . . . 4457 1 258 . 1 1 69 69 VAL N N 15 122.06 0.20 . 1 . . . . . . . . 4457 1 259 . 1 1 69 69 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 4457 1 260 . 1 1 69 69 VAL CA C 13 63.90 0.20 . 1 . . . . . . . . 4457 1 261 . 1 1 69 69 VAL HA H 1 4.20 0.02 . 1 . . . . . . . . 4457 1 262 . 1 1 69 69 VAL CB C 13 32.78 0.20 . 1 . . . . . . . . 4457 1 263 . 1 1 71 71 THR N N 15 114.41 0.20 . 1 . . . . . . . . 4457 1 264 . 1 1 71 71 THR H H 1 8.88 0.02 . 1 . . . . . . . . 4457 1 265 . 1 1 71 71 THR CA C 13 63.88 0.20 . 1 . . . . . . . . 4457 1 266 . 1 1 71 71 THR HA H 1 4.10 0.02 . 1 . . . . . . . . 4457 1 267 . 1 1 71 71 THR CB C 13 68.94 0.20 . 1 . . . . . . . . 4457 1 268 . 1 1 72 72 SER N N 15 118.34 0.20 . 1 . . . . . . . . 4457 1 269 . 1 1 72 72 SER H H 1 8.14 0.02 . 1 . . . . . . . . 4457 1 270 . 1 1 72 72 SER CA C 13 58.73 0.20 . 1 . . . . . . . . 4457 1 271 . 1 1 72 72 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4457 1 272 . 1 1 72 72 SER CB C 13 63.85 0.20 . 1 . . . . . . . . 4457 1 273 . 1 1 73 73 GLY N N 15 131.25 0.20 . 1 . . . . . . . . 4457 1 274 . 1 1 73 73 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 4457 1 275 . 1 1 73 73 GLY CA C 13 44.86 0.20 . 1 . . . . . . . . 4457 1 276 . 1 1 74 74 LEU N N 15 121.86 0.20 . 1 . . . . . . . . 4457 1 277 . 1 1 74 74 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 4457 1 278 . 1 1 74 74 LEU CA C 13 54.97 0.20 . 1 . . . . . . . . 4457 1 279 . 1 1 74 74 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 4457 1 280 . 1 1 74 74 LEU CB C 13 42.29 0.20 . 1 . . . . . . . . 4457 1 281 . 1 1 76 76 ARG N N 15 127.31 0.20 . 1 . . . . . . . . 4457 1 282 . 1 1 76 76 ARG H H 1 9.50 0.02 . 1 . . . . . . . . 4457 1 283 . 1 1 76 76 ARG CA C 13 58.82 0.20 . 1 . . . . . . . . 4457 1 284 . 1 1 76 76 ARG HA H 1 3.79 0.02 . 1 . . . . . . . . 4457 1 285 . 1 1 76 76 ARG CB C 13 30.05 0.20 . 1 . . . . . . . . 4457 1 286 . 1 1 77 77 GLU N N 15 116.81 0.20 . 1 . . . . . . . . 4457 1 287 . 1 1 77 77 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 4457 1 288 . 1 1 77 77 GLU CA C 13 58.41 0.20 . 1 . . . . . . . . 4457 1 289 . 1 1 77 77 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 4457 1 290 . 1 1 77 77 GLU CB C 13 29.59 0.20 . 1 . . . . . . . . 4457 1 291 . 1 1 78 78 SER N N 15 112.83 0.20 . 1 . . . . . . . . 4457 1 292 . 1 1 78 78 SER H H 1 7.18 0.02 . 1 . . . . . . . . 4457 1 293 . 1 1 78 78 SER CA C 13 60.24 0.20 . 1 . . . . . . . . 4457 1 294 . 1 1 78 78 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 4457 1 295 . 1 1 78 78 SER CB C 13 63.10 0.20 . 1 . . . . . . . . 4457 1 296 . 1 1 79 79 TYR N N 15 117.90 0.20 . 1 . . . . . . . . 4457 1 297 . 1 1 79 79 TYR H H 1 7.73 0.02 . 1 . . . . . . . . 4457 1 298 . 1 1 79 79 TYR CA C 13 53.90 0.20 . 1 . . . . . . . . 4457 1 299 . 1 1 79 79 TYR HA H 1 5.10 0.02 . 1 . . . . . . . . 4457 1 300 . 1 1 79 79 TYR CB C 13 37.78 0.20 . 1 . . . . . . . . 4457 1 301 . 1 1 81 81 THR N N 15 111.94 0.20 . 1 . . . . . . . . 4457 1 302 . 1 1 81 81 THR H H 1 7.31 0.02 . 1 . . . . . . . . 4457 1 303 . 1 1 81 81 THR CA C 13 60.28 0.20 . 1 . . . . . . . . 4457 1 304 . 1 1 81 81 THR HA H 1 5.42 0.02 . 1 . . . . . . . . 4457 1 305 . 1 1 81 81 THR CB C 13 72.14 0.20 . 1 . . . . . . . . 4457 1 306 . 1 1 82 82 TYR N N 15 122.73 0.20 . 1 . . . . . . . . 4457 1 307 . 1 1 82 82 TYR H H 1 9.24 0.02 . 1 . . . . . . . . 4457 1 308 . 1 1 82 82 TYR CA C 13 57.11 0.20 . 1 . . . . . . . . 4457 1 309 . 1 1 82 82 TYR HA H 1 5.35 0.02 . 1 . . . . . . . . 4457 1 310 . 1 1 82 82 TYR CB C 13 43.48 0.20 . 1 . . . . . . . . 4457 1 311 . 1 1 83 83 THR N N 15 117.55 0.20 . 1 . . . . . . . . 4457 1 312 . 1 1 83 83 THR H H 1 9.41 0.02 . 1 . . . . . . . . 4457 1 313 . 1 1 83 83 THR CA C 13 61.98 0.20 . 1 . . . . . . . . 4457 1 314 . 1 1 83 83 THR HA H 1 5.12 0.02 . 1 . . . . . . . . 4457 1 315 . 1 1 83 83 THR CB C 13 69.76 0.20 . 1 . . . . . . . . 4457 1 316 . 1 1 84 84 LEU N N 15 130.92 0.20 . 1 . . . . . . . . 4457 1 317 . 1 1 84 84 LEU H H 1 10.04 0.02 . 1 . . . . . . . . 4457 1 318 . 1 1 84 84 LEU CA C 13 52.13 0.20 . 1 . . . . . . . . 4457 1 319 . 1 1 84 84 LEU HA H 1 5.55 0.02 . 1 . . . . . . . . 4457 1 320 . 1 1 84 84 LEU CB C 13 43.55 0.20 . 1 . . . . . . . . 4457 1 321 . 1 1 85 85 VAL N N 15 122.26 0.20 . 1 . . . . . . . . 4457 1 322 . 1 1 85 85 VAL H H 1 8.00 0.02 . 1 . . . . . . . . 4457 1 323 . 1 1 85 85 VAL CA C 13 62.53 0.20 . 1 . . . . . . . . 4457 1 324 . 1 1 85 85 VAL HA H 1 4.72 0.02 . 1 . . . . . . . . 4457 1 325 . 1 1 85 85 VAL CB C 13 32.38 0.20 . 1 . . . . . . . . 4457 1 326 . 1 1 86 86 VAL N N 15 127.61 0.20 . 1 . . . . . . . . 4457 1 327 . 1 1 86 86 VAL H H 1 9.20 0.02 . 1 . . . . . . . . 4457 1 328 . 1 1 86 86 VAL CA C 13 59.72 0.20 . 1 . . . . . . . . 4457 1 329 . 1 1 86 86 VAL HA H 1 4.96 0.02 . 1 . . . . . . . . 4457 1 330 . 1 1 86 86 VAL CB C 13 34.16 0.20 . 1 . . . . . . . . 4457 1 331 . 1 1 87 87 GLN N N 15 126.23 0.20 . 1 . . . . . . . . 4457 1 332 . 1 1 87 87 GLN H H 1 9.38 0.02 . 1 . . . . . . . . 4457 1 333 . 1 1 87 87 GLN CA C 13 53.89 0.20 . 1 . . . . . . . . 4457 1 334 . 1 1 87 87 GLN HA H 1 5.22 0.02 . 1 . . . . . . . . 4457 1 335 . 1 1 87 87 GLN CB C 13 33.54 0.20 . 1 . . . . . . . . 4457 1 336 . 1 1 88 88 ALA N N 15 128.51 0.20 . 1 . . . . . . . . 4457 1 337 . 1 1 88 88 ALA H H 1 8.82 0.02 . 1 . . . . . . . . 4457 1 338 . 1 1 88 88 ALA CA C 13 49.95 0.20 . 1 . . . . . . . . 4457 1 339 . 1 1 88 88 ALA HA H 1 4.82 0.02 . 1 . . . . . . . . 4457 1 340 . 1 1 88 88 ALA CB C 13 21.05 0.20 . 1 . . . . . . . . 4457 1 341 . 1 1 89 89 ALA N N 15 126.31 0.20 . 1 . . . . . . . . 4457 1 342 . 1 1 89 89 ALA H H 1 8.62 0.02 . 1 . . . . . . . . 4457 1 343 . 1 1 89 89 ALA CA C 13 50.32 0.20 . 1 . . . . . . . . 4457 1 344 . 1 1 89 89 ALA HA H 1 4.79 0.02 . 1 . . . . . . . . 4457 1 345 . 1 1 89 89 ALA CB C 13 21.45 0.20 . 1 . . . . . . . . 4457 1 346 . 1 1 90 90 ASP N N 15 122.01 0.20 . 1 . . . . . . . . 4457 1 347 . 1 1 90 90 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 4457 1 348 . 1 1 90 90 ASP CA C 13 53.51 0.20 . 1 . . . . . . . . 4457 1 349 . 1 1 90 90 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 4457 1 350 . 1 1 90 90 ASP CB C 13 41.52 0.20 . 1 . . . . . . . . 4457 1 351 . 1 1 91 91 LEU N N 15 124.52 0.20 . 1 . . . . . . . . 4457 1 352 . 1 1 91 91 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 4457 1 353 . 1 1 91 91 LEU CA C 13 55.73 0.20 . 1 . . . . . . . . 4457 1 354 . 1 1 91 91 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4457 1 355 . 1 1 91 91 LEU CB C 13 41.44 0.20 . 1 . . . . . . . . 4457 1 356 . 1 1 92 92 GLN N N 15 117.55 0.20 . 1 . . . . . . . . 4457 1 357 . 1 1 92 92 GLN H H 1 8.41 0.02 . 1 . . . . . . . . 4457 1 358 . 1 1 92 92 GLN CA C 13 55.40 0.20 . 1 . . . . . . . . 4457 1 359 . 1 1 92 92 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 4457 1 360 . 1 1 92 92 GLN CB C 13 29.52 0.20 . 1 . . . . . . . . 4457 1 361 . 1 1 93 93 GLY N N 15 108.60 0.20 . 1 . . . . . . . . 4457 1 362 . 1 1 93 93 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 4457 1 363 . 1 1 93 93 GLY CA C 13 45.77 0.20 . 1 . . . . . . . . 4457 1 364 . 1 1 93 93 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 4457 1 365 . 1 1 93 93 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 4457 1 366 . 1 1 95 95 GLY N N 15 108.96 0.20 . 1 . . . . . . . . 4457 1 367 . 1 1 95 95 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 4457 1 368 . 1 1 95 95 GLY CA C 13 45.56 0.20 . 1 . . . . . . . . 4457 1 369 . 1 1 95 95 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 4457 1 370 . 1 1 95 95 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 4457 1 371 . 1 1 96 96 LEU N N 15 122.17 0.20 . 1 . . . . . . . . 4457 1 372 . 1 1 96 96 LEU H H 1 8.30 0.02 . 1 . . . . . . . . 4457 1 373 . 1 1 96 96 LEU CA C 13 54.95 0.20 . 1 . . . . . . . . 4457 1 374 . 1 1 96 96 LEU HA H 1 4.47 0.02 . 1 . . . . . . . . 4457 1 375 . 1 1 96 96 LEU CB C 13 42.23 0.20 . 1 . . . . . . . . 4457 1 376 . 1 1 97 97 SER N N 15 116.45 0.20 . 1 . . . . . . . . 4457 1 377 . 1 1 97 97 SER H H 1 8.25 0.02 . 1 . . . . . . . . 4457 1 378 . 1 1 97 97 SER CA C 13 57.30 0.20 . 1 . . . . . . . . 4457 1 379 . 1 1 97 97 SER HA H 1 5.30 0.02 . 1 . . . . . . . . 4457 1 380 . 1 1 97 97 SER CB C 13 65.36 0.20 . 1 . . . . . . . . 4457 1 381 . 1 1 98 98 THR N N 15 114.20 0.20 . 1 . . . . . . . . 4457 1 382 . 1 1 98 98 THR H H 1 8.46 0.02 . 1 . . . . . . . . 4457 1 383 . 1 1 98 98 THR CA C 13 60.19 0.20 . 1 . . . . . . . . 4457 1 384 . 1 1 98 98 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 4457 1 385 . 1 1 98 98 THR CB C 13 71.74 0.20 . 1 . . . . . . . . 4457 1 386 . 1 1 99 99 THR N N 15 111.69 0.20 . 1 . . . . . . . . 4457 1 387 . 1 1 99 99 THR H H 1 8.27 0.02 . 1 . . . . . . . . 4457 1 388 . 1 1 99 99 THR CA C 13 59.62 0.20 . 1 . . . . . . . . 4457 1 389 . 1 1 99 99 THR HA H 1 5.75 0.02 . 1 . . . . . . . . 4457 1 390 . 1 1 99 99 THR CB C 13 72.48 0.20 . 1 . . . . . . . . 4457 1 391 . 1 1 100 100 ALA N N 15 122.68 0.20 . 1 . . . . . . . . 4457 1 392 . 1 1 100 100 ALA H H 1 9.10 0.02 . 1 . . . . . . . . 4457 1 393 . 1 1 100 100 ALA CA C 13 50.90 0.20 . 1 . . . . . . . . 4457 1 394 . 1 1 100 100 ALA HA H 1 4.92 0.02 . 1 . . . . . . . . 4457 1 395 . 1 1 100 100 ALA CB C 13 23.89 0.20 . 1 . . . . . . . . 4457 1 396 . 1 1 101 101 LYS N N 15 118.55 0.20 . 1 . . . . . . . . 4457 1 397 . 1 1 101 101 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 4457 1 398 . 1 1 101 101 LYS CA C 13 54.83 0.20 . 1 . . . . . . . . 4457 1 399 . 1 1 101 101 LYS HA H 1 5.45 0.02 . 1 . . . . . . . . 4457 1 400 . 1 1 101 101 LYS CB C 13 35.40 0.20 . 1 . . . . . . . . 4457 1 401 . 1 1 102 102 ALA N N 15 126.12 0.20 . 1 . . . . . . . . 4457 1 402 . 1 1 102 102 ALA H H 1 9.39 0.02 . 1 . . . . . . . . 4457 1 403 . 1 1 102 102 ALA CA C 13 49.58 0.20 . 1 . . . . . . . . 4457 1 404 . 1 1 102 102 ALA HA H 1 5.54 0.02 . 1 . . . . . . . . 4457 1 405 . 1 1 102 102 ALA CB C 13 20.32 0.20 . 1 . . . . . . . . 4457 1 406 . 1 1 103 103 VAL N N 15 125.21 0.20 . 1 . . . . . . . . 4457 1 407 . 1 1 103 103 VAL H H 1 8.98 0.02 . 1 . . . . . . . . 4457 1 408 . 1 1 103 103 VAL CA C 13 61.47 0.20 . 1 . . . . . . . . 4457 1 409 . 1 1 103 103 VAL HA H 1 4.92 0.02 . 1 . . . . . . . . 4457 1 410 . 1 1 103 103 VAL CB C 13 32.95 0.20 . 1 . . . . . . . . 4457 1 411 . 1 1 104 104 ILE N N 15 130.51 0.20 . 1 . . . . . . . . 4457 1 412 . 1 1 104 104 ILE H H 1 9.57 0.02 . 1 . . . . . . . . 4457 1 413 . 1 1 104 104 ILE CA C 13 59.61 0.20 . 1 . . . . . . . . 4457 1 414 . 1 1 104 104 ILE HA H 1 4.51 0.02 . 1 . . . . . . . . 4457 1 415 . 1 1 104 104 ILE CB C 13 40.68 0.20 . 1 . . . . . . . . 4457 1 416 . 1 1 105 105 THR N N 15 124.67 0.20 . 1 . . . . . . . . 4457 1 417 . 1 1 105 105 THR H H 1 8.60 0.02 . 1 . . . . . . . . 4457 1 418 . 1 1 105 105 THR CA C 13 62.12 0.20 . 1 . . . . . . . . 4457 1 419 . 1 1 105 105 THR HA H 1 4.89 0.02 . 1 . . . . . . . . 4457 1 420 . 1 1 105 105 THR CB C 13 70.14 0.20 . 1 . . . . . . . . 4457 1 421 . 1 1 106 106 VAL N N 15 129.13 0.20 . 1 . . . . . . . . 4457 1 422 . 1 1 106 106 VAL H H 1 8.97 0.02 . 1 . . . . . . . . 4457 1 423 . 1 1 106 106 VAL CA C 13 61.83 0.20 . 1 . . . . . . . . 4457 1 424 . 1 1 106 106 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 4457 1 425 . 1 1 106 106 VAL CB C 13 32.05 0.20 . 1 . . . . . . . . 4457 1 426 . 1 1 107 107 LYS N N 15 126.90 0.20 . 1 . . . . . . . . 4457 1 427 . 1 1 107 107 LYS H H 1 9.05 0.02 . 1 . . . . . . . . 4457 1 428 . 1 1 107 107 LYS CA C 13 54.30 0.20 . 1 . . . . . . . . 4457 1 429 . 1 1 107 107 LYS HA H 1 4.73 0.02 . 1 . . . . . . . . 4457 1 430 . 1 1 107 107 LYS CB C 13 35.20 0.20 . 1 . . . . . . . . 4457 1 431 . 1 1 108 108 ASP N N 15 120.70 0.20 . 1 . . . . . . . . 4457 1 432 . 1 1 108 108 ASP H H 1 8.64 0.02 . 1 . . . . . . . . 4457 1 433 . 1 1 108 108 ASP CA C 13 54.06 0.20 . 1 . . . . . . . . 4457 1 434 . 1 1 108 108 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 4457 1 435 . 1 1 108 108 ASP CB C 13 42.08 0.20 . 1 . . . . . . . . 4457 1 436 . 1 1 109 109 ILE N N 15 122.45 0.20 . 1 . . . . . . . . 4457 1 437 . 1 1 109 109 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 4457 1 438 . 1 1 109 109 ILE CA C 13 62.18 0.20 . 1 . . . . . . . . 4457 1 439 . 1 1 109 109 ILE HA H 1 4.17 0.02 . 1 . . . . . . . . 4457 1 440 . 1 1 109 109 ILE CB C 13 38.96 0.20 . 1 . . . . . . . . 4457 1 441 . 1 1 110 110 ASN N N 15 120.57 0.20 . 1 . . . . . . . . 4457 1 442 . 1 1 110 110 ASN H H 1 8.58 0.02 . 1 . . . . . . . . 4457 1 443 . 1 1 110 110 ASN CA C 13 53.14 0.20 . 1 . . . . . . . . 4457 1 444 . 1 1 110 110 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 4457 1 445 . 1 1 110 110 ASN CB C 13 38.94 0.20 . 1 . . . . . . . . 4457 1 446 . 1 1 112 112 ASN N N 15 119.54 0.20 . 1 . . . . . . . . 4457 1 447 . 1 1 112 112 ASN H H 1 8.26 0.02 . 1 . . . . . . . . 4457 1 448 . 1 1 112 112 ASN CA C 13 52.81 0.20 . 1 . . . . . . . . 4457 1 449 . 1 1 112 112 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . 4457 1 450 . 1 1 112 112 ASN CB C 13 38.87 0.20 . 1 . . . . . . . . 4457 1 451 . 1 1 113 113 ALA N N 15 125.69 0.20 . 1 . . . . . . . . 4457 1 452 . 1 1 113 113 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 4457 1 453 . 1 1 113 113 ALA CA C 13 50.61 0.20 . 1 . . . . . . . . 4457 1 454 . 1 1 113 113 ALA HA H 1 4.60 0.02 . 1 . . . . . . . . 4457 1 455 . 1 1 113 113 ALA CB C 13 18.06 0.20 . 1 . . . . . . . . 4457 1 456 . 1 1 115 115 VAL N N 15 120.67 0.20 . 1 . . . . . . . . 4457 1 457 . 1 1 115 115 VAL H H 1 8.13 0.02 . 1 . . . . . . . . 4457 1 458 . 1 1 115 115 VAL CA C 13 62.14 0.20 . 1 . . . . . . . . 4457 1 459 . 1 1 115 115 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 4457 1 460 . 1 1 115 115 VAL CB C 13 32.46 0.20 . 1 . . . . . . . . 4457 1 461 . 1 1 116 116 PHE N N 15 124.85 0.20 . 1 . . . . . . . . 4457 1 462 . 1 1 116 116 PHE H H 1 8.36 0.02 . 1 . . . . . . . . 4457 1 463 . 1 1 116 116 PHE CA C 13 57.35 0.20 . 1 . . . . . . . . 4457 1 464 . 1 1 116 116 PHE HA H 1 4.68 0.02 . 1 . . . . . . . . 4457 1 465 . 1 1 116 116 PHE CB C 13 39.59 0.20 . 1 . . . . . . . . 4457 1 466 . 1 1 117 117 ASN N N 15 123.82 0.20 . 1 . . . . . . . . 4457 1 467 . 1 1 117 117 ASN H H 1 8.32 0.02 . 1 . . . . . . . . 4457 1 468 . 1 1 117 117 ASN CA C 13 55.73 0.20 . 1 . . . . . . . . 4457 1 469 . 1 1 117 117 ASN HA H 1 4.96 0.02 . 1 . . . . . . . . 4457 1 470 . 1 1 117 117 ASN CB C 13 39.30 0.20 . 1 . . . . . . . . 4457 1 471 . 1 1 120 120 THR N N 15 115.05 0.20 . 1 . . . . . . . . 4457 1 472 . 1 1 120 120 THR H H 1 7.88 0.02 . 1 . . . . . . . . 4457 1 473 . 1 1 120 120 THR CA C 13 61.76 0.20 . 1 . . . . . . . . 4457 1 474 . 1 1 120 120 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 4457 1 475 . 1 1 120 120 THR CB C 13 69.56 0.20 . 1 . . . . . . . . 4457 1 476 . 1 1 121 121 TYR N N 15 122.86 0.20 . 1 . . . . . . . . 4457 1 477 . 1 1 121 121 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 4457 1 478 . 1 1 121 121 TYR CA C 13 57.98 0.20 . 1 . . . . . . . . 4457 1 479 . 1 1 121 121 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 4457 1 480 . 1 1 121 121 TYR CB C 13 38.56 0.20 . 1 . . . . . . . . 4457 1 481 . 1 1 122 122 GLN N N 15 123.52 0.20 . 1 . . . . . . . . 4457 1 482 . 1 1 122 122 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 4457 1 483 . 1 1 122 122 GLN CA C 13 55.67 0.20 . 1 . . . . . . . . 4457 1 484 . 1 1 122 122 GLN HA H 1 4.44 0.02 . 1 . . . . . . . . 4457 1 485 . 1 1 122 122 GLN CB C 13 29.42 0.20 . 1 . . . . . . . . 4457 1 486 . 1 1 123 123 GLY N N 15 109.64 0.20 . 1 . . . . . . . . 4457 1 487 . 1 1 123 123 GLY H H 1 7.75 0.02 . 1 . . . . . . . . 4457 1 488 . 1 1 123 123 GLY CA C 13 45.01 0.20 . 1 . . . . . . . . 4457 1 489 . 1 1 123 123 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 4457 1 490 . 1 1 123 123 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 4457 1 491 . 1 1 124 124 GLN N N 15 120.10 0.20 . 1 . . . . . . . . 4457 1 492 . 1 1 124 124 GLN H H 1 8.18 0.02 . 1 . . . . . . . . 4457 1 493 . 1 1 124 124 GLN CA C 13 55.68 0.20 . 1 . . . . . . . . 4457 1 494 . 1 1 124 124 GLN HA H 1 4.39 0.02 . 1 . . . . . . . . 4457 1 495 . 1 1 124 124 GLN CB C 13 29.53 0.20 . 1 . . . . . . . . 4457 1 496 . 1 1 125 125 VAL N N 15 123.52 0.20 . 1 . . . . . . . . 4457 1 497 . 1 1 125 125 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 4457 1 498 . 1 1 125 125 VAL CA C 13 59.69 0.20 . 1 . . . . . . . . 4457 1 499 . 1 1 125 125 VAL HA H 1 4.41 0.02 . 1 . . . . . . . . 4457 1 500 . 1 1 125 125 VAL CB C 13 32.44 0.20 . 1 . . . . . . . . 4457 1 501 . 1 1 127 127 GLU N N 15 121.67 0.20 . 1 . . . . . . . . 4457 1 502 . 1 1 127 127 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4457 1 503 . 1 1 127 127 GLU CA C 13 57.26 0.20 . 1 . . . . . . . . 4457 1 504 . 1 1 127 127 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 4457 1 505 . 1 1 127 127 GLU CB C 13 30.00 0.20 . 1 . . . . . . . . 4457 1 506 . 1 1 128 128 ASN N N 15 118.56 0.20 . 1 . . . . . . . . 4457 1 507 . 1 1 128 128 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 4457 1 508 . 1 1 128 128 ASN CA C 13 53.39 0.20 . 1 . . . . . . . . 4457 1 509 . 1 1 128 128 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 4457 1 510 . 1 1 128 128 ASN CB C 13 38.69 0.20 . 1 . . . . . . . . 4457 1 511 . 1 1 130 130 VAL N N 15 118.88 0.20 . 1 . . . . . . . . 4457 1 512 . 1 1 130 130 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 4457 1 513 . 1 1 130 130 VAL CA C 13 60.67 0.20 . 1 . . . . . . . . 4457 1 514 . 1 1 130 130 VAL HA H 1 4.91 0.02 . 1 . . . . . . . . 4457 1 515 . 1 1 130 130 VAL CB C 13 34.76 0.20 . 1 . . . . . . . . 4457 1 516 . 1 1 131 131 ASN N N 15 127.54 0.20 . 1 . . . . . . . . 4457 1 517 . 1 1 131 131 ASN H H 1 9.38 0.02 . 1 . . . . . . . . 4457 1 518 . 1 1 131 131 ASN CA C 13 56.27 0.20 . 1 . . . . . . . . 4457 1 519 . 1 1 131 131 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 4457 1 520 . 1 1 131 131 ASN CB C 13 41.85 0.20 . 1 . . . . . . . . 4457 1 521 . 1 1 133 133 ARG N N 15 119.84 0.20 . 1 . . . . . . . . 4457 1 522 . 1 1 133 133 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 4457 1 523 . 1 1 133 133 ARG CA C 13 56.47 0.20 . 1 . . . . . . . . 4457 1 524 . 1 1 133 133 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 4457 1 525 . 1 1 133 133 ARG CB C 13 30.40 0.20 . 1 . . . . . . . . 4457 1 526 . 1 1 134 134 ILE N N 15 121.59 0.20 . 1 . . . . . . . . 4457 1 527 . 1 1 134 134 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4457 1 528 . 1 1 134 134 ILE CA C 13 61.23 0.20 . 1 . . . . . . . . 4457 1 529 . 1 1 134 134 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 4457 1 530 . 1 1 134 134 ILE CB C 13 38.48 0.20 . 1 . . . . . . . . 4457 1 531 . 1 1 135 135 ALA N N 15 127.49 0.20 . 1 . . . . . . . . 4457 1 532 . 1 1 135 135 ALA H H 1 8.27 0.02 . 1 . . . . . . . . 4457 1 533 . 1 1 135 135 ALA CA C 13 52.48 0.20 . 1 . . . . . . . . 4457 1 534 . 1 1 135 135 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 4457 1 535 . 1 1 135 135 ALA CB C 13 19.24 0.20 . 1 . . . . . . . . 4457 1 536 . 1 1 136 136 THR N N 15 113.60 0.20 . 1 . . . . . . . . 4457 1 537 . 1 1 136 136 THR H H 1 7.99 0.02 . 1 . . . . . . . . 4457 1 538 . 1 1 136 136 THR CA C 13 61.62 0.20 . 1 . . . . . . . . 4457 1 539 . 1 1 136 136 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 4457 1 540 . 1 1 136 136 THR CB C 13 69.67 0.20 . 1 . . . . . . . . 4457 1 541 . 1 1 137 137 LEU N N 15 125.09 0.20 . 1 . . . . . . . . 4457 1 542 . 1 1 137 137 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 4457 1 543 . 1 1 137 137 LEU CA C 13 55.01 0.20 . 1 . . . . . . . . 4457 1 544 . 1 1 137 137 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 4457 1 545 . 1 1 137 137 LEU CB C 13 42.41 0.20 . 1 . . . . . . . . 4457 1 546 . 1 1 138 138 LYS N N 15 123.28 0.20 . 1 . . . . . . . . 4457 1 547 . 1 1 138 138 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 4457 1 548 . 1 1 138 138 LYS CA C 13 55.68 0.20 . 1 . . . . . . . . 4457 1 549 . 1 1 138 138 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 4457 1 550 . 1 1 138 138 LYS CB C 13 32.86 0.20 . 1 . . . . . . . . 4457 1 551 . 1 1 139 139 VAL N N 15 122.61 0.20 . 1 . . . . . . . . 4457 1 552 . 1 1 139 139 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 4457 1 553 . 1 1 139 139 VAL CA C 13 62.05 0.20 . 1 . . . . . . . . 4457 1 554 . 1 1 139 139 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . 4457 1 555 . 1 1 139 139 VAL CB C 13 32.85 0.20 . 1 . . . . . . . . 4457 1 556 . 1 1 140 140 THR N N 15 119.87 0.20 . 1 . . . . . . . . 4457 1 557 . 1 1 140 140 THR H H 1 8.31 0.02 . 1 . . . . . . . . 4457 1 558 . 1 1 140 140 THR CA C 13 61.54 0.20 . 1 . . . . . . . . 4457 1 559 . 1 1 140 140 THR HA H 1 4.44 0.02 . 1 . . . . . . . . 4457 1 560 . 1 1 140 140 THR CB C 13 69.63 0.20 . 1 . . . . . . . . 4457 1 561 . 1 1 141 141 ASP N N 15 122.96 0.20 . 1 . . . . . . . . 4457 1 562 . 1 1 141 141 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4457 1 563 . 1 1 141 141 ASP CA C 13 54.30 0.20 . 1 . . . . . . . . 4457 1 564 . 1 1 141 141 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 4457 1 565 . 1 1 141 141 ASP CB C 13 41.12 0.20 . 1 . . . . . . . . 4457 1 566 . 1 1 142 142 ASP N N 15 121.16 0.20 . 1 . . . . . . . . 4457 1 567 . 1 1 142 142 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4457 1 568 . 1 1 142 142 ASP CA C 13 54.42 0.20 . 1 . . . . . . . . 4457 1 569 . 1 1 142 142 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4457 1 570 . 1 1 142 142 ASP CB C 13 41.11 0.20 . 1 . . . . . . . . 4457 1 571 . 1 1 143 143 ASP N N 15 120.59 0.20 . 1 . . . . . . . . 4457 1 572 . 1 1 143 143 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 4457 1 573 . 1 1 143 143 ASP CA C 13 54.08 0.20 . 1 . . . . . . . . 4457 1 574 . 1 1 143 143 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4457 1 575 . 1 1 143 143 ASP CB C 13 41.09 0.20 . 1 . . . . . . . . 4457 1 576 . 1 1 144 144 ALA N N 15 125.25 0.20 . 1 . . . . . . . . 4457 1 577 . 1 1 144 144 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 4457 1 578 . 1 1 144 144 ALA CA C 13 50.70 0.20 . 1 . . . . . . . . 4457 1 579 . 1 1 144 144 ALA HA H 1 4.56 0.02 . 1 . . . . . . . . 4457 1 580 . 1 1 144 144 ALA CB C 13 18.15 0.20 . 1 . . . . . . . . 4457 1 581 . 1 1 147 147 THR N N 15 116.72 0.20 . 1 . . . . . . . . 4457 1 582 . 1 1 147 147 THR H H 1 7.97 0.02 . 1 . . . . . . . . 4457 1 583 . 1 1 147 147 THR CA C 13 59.71 0.20 . 1 . . . . . . . . 4457 1 584 . 1 1 147 147 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 4457 1 585 . 1 1 147 147 THR CB C 13 69.57 0.20 . 1 . . . . . . . . 4457 1 586 . 1 1 150 150 TRP N N 15 119.20 0.20 . 1 . . . . . . . . 4457 1 587 . 1 1 150 150 TRP H H 1 7.82 0.02 . 1 . . . . . . . . 4457 1 588 . 1 1 150 150 TRP CA C 13 57.32 0.20 . 1 . . . . . . . . 4457 1 589 . 1 1 150 150 TRP HA H 1 4.59 0.02 . 1 . . . . . . . . 4457 1 590 . 1 1 150 150 TRP CB C 13 29.32 0.20 . 1 . . . . . . . . 4457 1 591 . 1 1 151 151 LYS N N 15 122.84 0.20 . 1 . . . . . . . . 4457 1 592 . 1 1 151 151 LYS H H 1 7.66 0.02 . 1 . . . . . . . . 4457 1 593 . 1 1 151 151 LYS CA C 13 55.94 0.20 . 1 . . . . . . . . 4457 1 594 . 1 1 151 151 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 4457 1 595 . 1 1 151 151 LYS CB C 13 32.94 0.20 . 1 . . . . . . . . 4457 1 596 . 1 1 152 152 ALA N N 15 124.79 0.20 . 1 . . . . . . . . 4457 1 597 . 1 1 152 152 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 4457 1 598 . 1 1 152 152 ALA CA C 13 52.51 0.20 . 1 . . . . . . . . 4457 1 599 . 1 1 152 152 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 4457 1 600 . 1 1 152 152 ALA CB C 13 19.23 0.20 . 1 . . . . . . . . 4457 1 601 . 1 1 153 153 VAL N N 15 118.83 0.20 . 1 . . . . . . . . 4457 1 602 . 1 1 153 153 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 4457 1 603 . 1 1 153 153 VAL CA C 13 62.10 0.20 . 1 . . . . . . . . 4457 1 604 . 1 1 153 153 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 4457 1 605 . 1 1 153 153 VAL CB C 13 33.02 0.20 . 1 . . . . . . . . 4457 1 606 . 1 1 158 158 ASN N N 15 121.27 0.20 . 1 . . . . . . . . 4457 1 607 . 1 1 158 158 ASN H H 1 8.37 0.02 . 1 . . . . . . . . 4457 1 608 . 1 1 158 158 ASN CA C 13 53.35 0.20 . 1 . . . . . . . . 4457 1 609 . 1 1 158 158 ASN HA H 1 4.76 0.02 . 1 . . . . . . . . 4457 1 610 . 1 1 158 158 ASN CB C 13 38.73 0.20 . 1 . . . . . . . . 4457 1 611 . 1 1 159 159 ASP N N 15 121.53 0.20 . 1 . . . . . . . . 4457 1 612 . 1 1 159 159 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 4457 1 613 . 1 1 159 159 ASP CA C 13 53.35 0.20 . 1 . . . . . . . . 4457 1 614 . 1 1 159 159 ASP CB C 13 38.73 0.20 . 1 . . . . . . . . 4457 1 615 . 1 1 161 161 ASP N N 15 119.00 0.20 . 1 . . . . . . . . 4457 1 616 . 1 1 161 161 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 4457 1 617 . 1 1 161 161 ASP CA C 13 54.65 0.20 . 1 . . . . . . . . 4457 1 618 . 1 1 161 161 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 4457 1 619 . 1 1 161 161 ASP CB C 13 40.94 0.20 . 1 . . . . . . . . 4457 1 620 . 1 1 162 162 GLN N N 15 119.95 0.20 . 1 . . . . . . . . 4457 1 621 . 1 1 162 162 GLN H H 1 7.90 0.02 . 1 . . . . . . . . 4457 1 622 . 1 1 162 162 GLN CA C 13 55.68 0.20 . 1 . . . . . . . . 4457 1 623 . 1 1 162 162 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 4457 1 624 . 1 1 162 162 GLN CB C 13 29.21 0.20 . 1 . . . . . . . . 4457 1 625 . 1 1 163 163 GLN N N 15 120.86 0.20 . 1 . . . . . . . . 4457 1 626 . 1 1 163 163 GLN H H 1 8.20 0.02 . 1 . . . . . . . . 4457 1 627 . 1 1 163 163 GLN CA C 13 56.16 0.20 . 1 . . . . . . . . 4457 1 628 . 1 1 163 163 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 4457 1 629 . 1 1 163 163 GLN CB C 13 29.30 0.20 . 1 . . . . . . . . 4457 1 630 . 1 1 164 164 PHE N N 15 121.03 0.20 . 1 . . . . . . . . 4457 1 631 . 1 1 164 164 PHE H H 1 8.18 0.02 . 1 . . . . . . . . 4457 1 632 . 1 1 164 164 PHE CA C 13 54.38 0.20 . 1 . . . . . . . . 4457 1 633 . 1 1 164 164 PHE HA H 1 4.31 0.02 . 1 . . . . . . . . 4457 1 634 . 1 1 164 164 PHE CB C 13 41.17 0.20 . 1 . . . . . . . . 4457 1 635 . 1 1 165 165 VAL N N 15 122.60 0.20 . 1 . . . . . . . . 4457 1 636 . 1 1 165 165 VAL H H 1 7.99 0.02 . 1 . . . . . . . . 4457 1 637 . 1 1 165 165 VAL CA C 13 61.94 0.20 . 1 . . . . . . . . 4457 1 638 . 1 1 165 165 VAL CB C 13 32.62 0.20 . 1 . . . . . . . . 4457 1 639 . 1 1 166 166 VAL N N 15 126.02 0.20 . 1 . . . . . . . . 4457 1 640 . 1 1 166 166 VAL H H 1 8.36 0.02 . 1 . . . . . . . . 4457 1 641 . 1 1 166 166 VAL CA C 13 61.93 0.20 . 1 . . . . . . . . 4457 1 642 . 1 1 166 166 VAL HA H 1 4.24 0.02 . 1 . . . . . . . . 4457 1 643 . 1 1 166 166 VAL CB C 13 32.81 0.20 . 1 . . . . . . . . 4457 1 644 . 1 1 167 167 VAL N N 15 124.46 0.20 . 1 . . . . . . . . 4457 1 645 . 1 1 167 167 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 4457 1 646 . 1 1 167 167 VAL CA C 13 61.93 0.20 . 1 . . . . . . . . 4457 1 647 . 1 1 167 167 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 4457 1 648 . 1 1 167 167 VAL CB C 13 32.82 0.20 . 1 . . . . . . . . 4457 1 649 . 1 1 168 168 THR N N 15 119.17 0.20 . 1 . . . . . . . . 4457 1 650 . 1 1 168 168 THR H H 1 8.25 0.02 . 1 . . . . . . . . 4457 1 651 . 1 1 168 168 THR CA C 13 61.55 0.20 . 1 . . . . . . . . 4457 1 652 . 1 1 168 168 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 4457 1 653 . 1 1 168 168 THR CB C 13 69.74 0.20 . 1 . . . . . . . . 4457 1 654 . 1 1 169 169 ASP N N 15 123.04 0.20 . 1 . . . . . . . . 4457 1 655 . 1 1 169 169 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 4457 1 656 . 1 1 169 169 ASP CA C 13 53.76 0.20 . 1 . . . . . . . . 4457 1 657 . 1 1 169 169 ASP CB C 13 41.12 0.20 . 1 . . . . . . . . 4457 1 658 . 1 1 171 171 THR N N 15 113.38 0.20 . 1 . . . . . . . . 4457 1 659 . 1 1 171 171 THR H H 1 8.38 0.02 . 1 . . . . . . . . 4457 1 660 . 1 1 171 171 THR CA C 13 62.60 0.20 . 1 . . . . . . . . 4457 1 661 . 1 1 171 171 THR HA H 1 4.38 0.02 . 1 . . . . . . . . 4457 1 662 . 1 1 171 171 THR CB C 13 69.39 0.20 . 1 . . . . . . . . 4457 1 663 . 1 1 172 172 THR N N 15 115.36 0.20 . 1 . . . . . . . . 4457 1 664 . 1 1 172 172 THR H H 1 7.89 0.02 . 1 . . . . . . . . 4457 1 665 . 1 1 172 172 THR CA C 13 61.76 0.20 . 1 . . . . . . . . 4457 1 666 . 1 1 172 172 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 4457 1 667 . 1 1 172 172 THR CB C 13 69.56 0.20 . 1 . . . . . . . . 4457 1 668 . 1 1 175 175 GLY N N 15 108.95 0.20 . 1 . . . . . . . . 4457 1 669 . 1 1 175 175 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 4457 1 670 . 1 1 175 175 GLY CA C 13 45.56 0.20 . 1 . . . . . . . . 4457 1 671 . 1 1 176 176 ILE N N 15 120.66 0.20 . 1 . . . . . . . . 4457 1 672 . 1 1 176 176 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 4457 1 673 . 1 1 176 176 ILE CA C 13 61.15 0.20 . 1 . . . . . . . . 4457 1 674 . 1 1 176 176 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 4457 1 675 . 1 1 176 176 ILE CB C 13 38.32 0.20 . 1 . . . . . . . . 4457 1 676 . 1 1 177 177 LEU N N 15 125.74 0.20 . 1 . . . . . . . . 4457 1 677 . 1 1 177 177 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 4457 1 678 . 1 1 177 177 LEU CA C 13 55.27 0.20 . 1 . . . . . . . . 4457 1 679 . 1 1 177 177 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 4457 1 680 . 1 1 177 177 LEU CB C 13 42.04 0.20 . 1 . . . . . . . . 4457 1 681 . 1 1 178 178 LYS N N 15 123.58 0.20 . 1 . . . . . . . . 4457 1 682 . 1 1 178 178 LYS H H 1 8.27 0.02 . 1 . . . . . . . . 4457 1 683 . 1 1 178 178 LYS CA C 13 55.76 0.20 . 1 . . . . . . . . 4457 1 684 . 1 1 178 178 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 4457 1 685 . 1 1 178 178 LYS CB C 13 32.94 0.20 . 1 . . . . . . . . 4457 1 686 . 1 1 179 179 THR N N 15 114.68 0.20 . 1 . . . . . . . . 4457 1 687 . 1 1 179 179 THR H H 1 8.00 0.02 . 1 . . . . . . . . 4457 1 688 . 1 1 179 179 THR CA C 13 61.55 0.20 . 1 . . . . . . . . 4457 1 689 . 1 1 179 179 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 4457 1 690 . 1 1 179 179 THR CB C 13 69.27 0.20 . 1 . . . . . . . . 4457 1 691 . 1 1 182 182 GLY N N 15 110.44 0.20 . 1 . . . . . . . . 4457 1 692 . 1 1 182 182 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4457 1 693 . 1 1 182 182 GLY CA C 13 45.04 0.20 . 1 . . . . . . . . 4457 1 694 . 1 1 182 182 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 4457 1 695 . 1 1 182 182 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 4457 1 696 . 1 1 187 187 ALA N N 15 124.72 0.20 . 1 . . . . . . . . 4457 1 697 . 1 1 187 187 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4457 1 698 . 1 1 187 187 ALA CA C 13 52.83 0.20 . 1 . . . . . . . . 4457 1 699 . 1 1 187 187 ALA CB C 13 19.15 0.20 . 1 . . . . . . . . 4457 1 700 . 1 1 199 199 ASN N N 15 119.58 0.20 . 1 . . . . . . . . 4457 1 701 . 1 1 199 199 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 4457 1 702 . 1 1 199 199 ASN CA C 13 53.22 0.20 . 1 . . . . . . . . 4457 1 703 . 1 1 199 199 ASN CB C 13 38.88 0.20 . 1 . . . . . . . . 4457 1 704 . 1 1 200 200 GLU N N 15 121.43 0.20 . 1 . . . . . . . . 4457 1 705 . 1 1 200 200 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 4457 1 706 . 1 1 200 200 GLU CA C 13 56.37 0.20 . 1 . . . . . . . . 4457 1 707 . 1 1 200 200 GLU HA H 1 4.35 0.02 . 1 . . . . . . . . 4457 1 708 . 1 1 200 200 GLU CB C 13 30.27 0.20 . 1 . . . . . . . . 4457 1 709 . 1 1 201 201 GLU N N 15 123.78 0.20 . 1 . . . . . . . . 4457 1 710 . 1 1 201 201 GLU H H 1 8.39 0.02 . 1 . . . . . . . . 4457 1 711 . 1 1 201 201 GLU CA C 13 54.18 0.20 . 1 . . . . . . . . 4457 1 712 . 1 1 201 201 GLU HA H 1 4.61 0.02 . 1 . . . . . . . . 4457 1 713 . 1 1 201 201 GLU CB C 13 29.85 0.20 . 1 . . . . . . . . 4457 1 714 . 1 1 204 204 GLU N N 15 122.35 0.20 . 1 . . . . . . . . 4457 1 715 . 1 1 204 204 GLU H H 1 8.93 0.02 . 1 . . . . . . . . 4457 1 716 . 1 1 204 204 GLU CA C 13 55.13 0.20 . 1 . . . . . . . . 4457 1 717 . 1 1 204 204 GLU HA H 1 5.38 0.02 . 1 . . . . . . . . 4457 1 718 . 1 1 204 204 GLU CB C 13 32.97 0.20 . 1 . . . . . . . . 4457 1 719 . 1 1 205 205 GLY N N 15 110.14 0.20 . 1 . . . . . . . . 4457 1 720 . 1 1 205 205 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4457 1 721 . 1 1 205 205 GLY CA C 13 45.27 0.20 . 1 . . . . . . . . 4457 1 722 . 1 1 205 205 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 4457 1 723 . 1 1 205 205 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 4457 1 724 . 1 1 206 206 SER N N 15 115.66 0.20 . 1 . . . . . . . . 4457 1 725 . 1 1 206 206 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4457 1 726 . 1 1 206 206 SER CA C 13 58.27 0.20 . 1 . . . . . . . . 4457 1 727 . 1 1 206 206 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 4457 1 728 . 1 1 206 206 SER CB C 13 63.85 0.20 . 1 . . . . . . . . 4457 1 729 . 1 1 207 207 LEU N N 15 124.41 0.20 . 1 . . . . . . . . 4457 1 730 . 1 1 207 207 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4457 1 731 . 1 1 207 207 LEU CA C 13 54.96 0.20 . 1 . . . . . . . . 4457 1 732 . 1 1 207 207 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4457 1 733 . 1 1 207 207 LEU CB C 13 42.18 0.20 . 1 . . . . . . . . 4457 1 734 . 1 1 208 208 VAL N N 15 123.05 0.20 . 1 . . . . . . . . 4457 1 735 . 1 1 208 208 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4457 1 736 . 1 1 208 208 VAL CA C 13 59.64 0.20 . 1 . . . . . . . . 4457 1 737 . 1 1 208 208 VAL HA H 1 4.42 0.02 . 1 . . . . . . . . 4457 1 738 . 1 1 208 208 VAL CB C 13 32.54 0.20 . 1 . . . . . . . . 4457 1 739 . 1 1 210 210 SER N N 15 116.76 0.20 . 1 . . . . . . . . 4457 1 740 . 1 1 210 210 SER H H 1 8.46 0.02 . 1 . . . . . . . . 4457 1 741 . 1 1 210 210 SER CA C 13 58.20 0.20 . 1 . . . . . . . . 4457 1 742 . 1 1 210 210 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 4457 1 743 . 1 1 210 210 SER CB C 13 63.77 0.20 . 1 . . . . . . . . 4457 1 744 . 1 1 211 211 THR N N 15 115.98 0.20 . 1 . . . . . . . . 4457 1 745 . 1 1 211 211 THR H H 1 8.16 0.02 . 1 . . . . . . . . 4457 1 746 . 1 1 211 211 THR CA C 13 61.48 0.20 . 1 . . . . . . . . 4457 1 747 . 1 1 211 211 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 4457 1 748 . 1 1 211 211 THR CB C 13 69.58 0.20 . 1 . . . . . . . . 4457 1 749 . 1 1 212 212 ALA N N 15 126.65 0.20 . 1 . . . . . . . . 4457 1 750 . 1 1 212 212 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 4457 1 751 . 1 1 212 212 ALA CA C 13 52.28 0.20 . 1 . . . . . . . . 4457 1 752 . 1 1 212 212 ALA HA H 1 4.41 0.02 . 1 . . . . . . . . 4457 1 753 . 1 1 212 212 ALA CB C 13 19.25 0.20 . 1 . . . . . . . . 4457 1 754 . 1 1 213 213 THR N N 15 115.01 0.20 . 1 . . . . . . . . 4457 1 755 . 1 1 213 213 THR H H 1 8.15 0.02 . 1 . . . . . . . . 4457 1 756 . 1 1 213 213 THR CA C 13 61.75 0.20 . 1 . . . . . . . . 4457 1 757 . 1 1 213 213 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 4457 1 758 . 1 1 213 213 THR CB C 13 69.61 0.20 . 1 . . . . . . . . 4457 1 759 . 1 1 214 214 VAL N N 15 123.65 0.20 . 1 . . . . . . . . 4457 1 760 . 1 1 214 214 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 4457 1 761 . 1 1 214 214 VAL CA C 13 61.96 0.20 . 1 . . . . . . . . 4457 1 762 . 1 1 214 214 VAL HA H 1 4.27 0.02 . 1 . . . . . . . . 4457 1 763 . 1 1 214 214 VAL CB C 13 32.73 0.20 . 1 . . . . . . . . 4457 1 764 . 1 1 215 215 THR N N 15 117.39 0.20 . 1 . . . . . . . . 4457 1 765 . 1 1 215 215 THR H H 1 8.18 0.02 . 1 . . . . . . . . 4457 1 766 . 1 1 215 215 THR CA C 13 61.20 0.20 . 1 . . . . . . . . 4457 1 767 . 1 1 215 215 THR HA H 1 4.45 0.02 . 1 . . . . . . . . 4457 1 768 . 1 1 215 215 THR CB C 13 69.81 0.20 . 1 . . . . . . . . 4457 1 769 . 1 1 216 216 VAL N N 15 122.90 0.20 . 1 . . . . . . . . 4457 1 770 . 1 1 216 216 VAL H H 1 8.18 0.02 . 1 . . . . . . . . 4457 1 771 . 1 1 216 216 VAL CA C 13 61.62 0.20 . 1 . . . . . . . . 4457 1 772 . 1 1 216 216 VAL HA H 1 4.22 0.02 . 1 . . . . . . . . 4457 1 773 . 1 1 216 216 VAL CB C 13 32.93 0.20 . 1 . . . . . . . . 4457 1 774 . 1 1 217 217 ASP N N 15 124.85 0.20 . 1 . . . . . . . . 4457 1 775 . 1 1 217 217 ASP H H 1 8.38 0.02 . 1 . . . . . . . . 4457 1 776 . 1 1 217 217 ASP CA C 13 54.12 0.20 . 1 . . . . . . . . 4457 1 777 . 1 1 217 217 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . 4457 1 778 . 1 1 217 217 ASP CB C 13 41.21 0.20 . 1 . . . . . . . . 4457 1 779 . 1 1 218 218 VAL N N 15 121.15 0.20 . 1 . . . . . . . . 4457 1 780 . 1 1 218 218 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 4457 1 781 . 1 1 218 218 VAL CA C 13 62.00 0.20 . 1 . . . . . . . . 4457 1 782 . 1 1 218 218 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 4457 1 783 . 1 1 218 218 VAL CB C 13 32.70 0.20 . 1 . . . . . . . . 4457 1 784 . 1 1 219 219 VAL N N 15 125.67 0.20 . 1 . . . . . . . . 4457 1 785 . 1 1 219 219 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 4457 1 786 . 1 1 219 219 VAL CA C 13 61.91 0.20 . 1 . . . . . . . . 4457 1 787 . 1 1 219 219 VAL HA H 1 4.14 0.02 . 1 . . . . . . . . 4457 1 788 . 1 1 219 219 VAL CB C 13 32.74 0.20 . 1 . . . . . . . . 4457 1 789 . 1 1 220 220 ASP N N 15 125.15 0.20 . 1 . . . . . . . . 4457 1 790 . 1 1 220 220 ASP H H 1 8.40 0.02 . 1 . . . . . . . . 4457 1 791 . 1 1 220 220 ASP CA C 13 53.71 0.20 . 1 . . . . . . . . 4457 1 792 . 1 1 220 220 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 4457 1 793 . 1 1 220 220 ASP CB C 13 41.34 0.20 . 1 . . . . . . . . 4457 1 794 . 1 1 221 221 VAL N N 15 120.94 0.20 . 1 . . . . . . . . 4457 1 795 . 1 1 221 221 VAL H H 1 8.12 0.02 . 1 . . . . . . . . 4457 1 796 . 1 1 222 222 ASN N N 15 121.92 0.20 . 1 . . . . . . . . 4457 1 797 . 1 1 222 222 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 4457 1 798 . 1 1 222 222 ASN CA C 13 53.22 0.20 . 1 . . . . . . . . 4457 1 799 . 1 1 222 222 ASN HA H 1 4.75 0.02 . 1 . . . . . . . . 4457 1 800 . 1 1 222 222 ASN CB C 13 39.12 0.20 . 1 . . . . . . . . 4457 1 801 . 1 1 223 223 GLU N N 15 121.82 0.20 . 1 . . . . . . . . 4457 1 802 . 1 1 223 223 GLU H H 1 8.19 0.02 . 1 . . . . . . . . 4457 1 803 . 1 1 223 223 GLU CA C 13 56.08 0.20 . 1 . . . . . . . . 4457 1 804 . 1 1 223 223 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 4457 1 805 . 1 1 223 223 GLU CB C 13 30.40 0.20 . 1 . . . . . . . . 4457 1 806 . 1 1 224 224 ALA N N 15 127.07 0.20 . 1 . . . . . . . . 4457 1 807 . 1 1 224 224 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 4457 1 808 . 1 1 224 224 ALA CA C 13 50.22 0.20 . 1 . . . . . . . . 4457 1 809 . 1 1 224 224 ALA HA H 1 4.62 0.02 . 1 . . . . . . . . 4457 1 810 . 1 1 224 224 ALA CB C 13 18.18 0.20 . 1 . . . . . . . . 4457 1 811 . 1 1 226 226 ILE N N 15 120.85 0.20 . 1 . . . . . . . . 4457 1 812 . 1 1 226 226 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 4457 1 813 . 1 1 226 226 ILE CA C 13 60.90 0.20 . 1 . . . . . . . . 4457 1 814 . 1 1 226 226 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 4457 1 815 . 1 1 226 226 ILE CB C 13 38.78 0.20 . 1 . . . . . . . . 4457 1 816 . 1 1 227 227 PHE N N 15 128.90 0.20 . 1 . . . . . . . . 4457 1 817 . 1 1 227 227 PHE H H 1 7.67 0.02 . 1 . . . . . . . . 4457 1 818 . 1 1 227 227 PHE CA C 13 58.68 0.20 . 1 . . . . . . . . 4457 1 819 . 1 1 227 227 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 4457 1 820 . 1 1 227 227 PHE CB C 13 40.42 0.20 . 1 . . . . . . . . 4457 1 stop_ save_