data_5409 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5409 _Entry.Title ; Backbone Chemical Shift Assignments for 2H, 13C, 15N-labeled Human PTB1 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-28 _Entry.Accession_date 2002-07-03 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _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 Peter Simpson . J . 5409 2 Davydova Natalia . . . 5409 3 Stephen Curry . . . 5409 4 Stephen Matthews . . . 5409 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5409 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 181 5409 '13C chemical shifts' 571 5409 '15N chemical shifts' 181 5409 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 . . 2002-08-22 2002-06-28 original author . 5409 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5409 _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: Resonance Assignment and Topology of the 2H, 13C, 15N labeled 29 kDa N-terminal Fragment of the Polypyrimidine Tract Binding Protein (PTB) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 1 _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 79 _Citation.Page_last 80 _Citation.Year 2002 _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 Peter Simpson . J. . 5409 1 2 Natalia Davydova . . . 5409 1 3 Stephen Curry . . . 5409 1 4 Stephen Matthews . . . 5409 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'polypyrimidine tract binding protein' 5409 1 RNP 5409 1 'RNA binding' 5409 1 'splicing regulation' 5409 1 NMR 5409 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PTB1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PTB1 _Assembly.Entry_ID 5409 _Assembly.ID 1 _Assembly.Name PTB1-12 _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 'all free' _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 5409 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 'PTB1 domains 1 and 2' 1 $PTB1-12 . . . native . . . . . 5409 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 1QM9 . . . . . 'Structure of domains 3 and 4 from PTB1' 5409 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PTB1-12 system 5409 1 PTB1 abbreviation 5409 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding' 5409 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTB1-12 _Entity.Sf_category entity _Entity.Sf_framecode PTB1-12 _Entity.Entry_ID 5409 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Polypyrimidine Tract Binding Protein' _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 ; MRGSHHHHHHGSSRSSGVPS RVIHIRKLPIDVTEGEVISL GLPFGKVTNLLMLKGKNQAF IEMNTEEAANTMVNYYTSVT PVLRGQPIYIQFSNHKELKT DSSPNQARAQAALQAVNSVQ SGNLALAASAAAVDAGMAMA GQSPVLRIIVENLFYPVTLD VLHQIFSKFGTVLKIITFTK NNQFQALLQYADPVSAQHAK LSLDGQNIYNACCTLRIDFS KLTSLNVKYNNDKSRDYTRP DLPSGDSQPSLDQTMAAAFG LSV ; _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 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28680 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1 no BMRB 6177 . PTB1-2 . . . . . 58.94 164 100.00 100.00 1.67e-105 . . . . 5409 1 2 no PDB 1SJR . "Nmr Structure Of Rrm2 From Human Polypyrimidine Tract Binding Protein Isoform 1 (Ptb1)" . . . . . 58.94 164 100.00 100.00 1.67e-105 . . . . 5409 1 3 no DBJ BAC29560 . "unnamed protein product [Mus musculus]" . . . . . 85.55 489 99.11 99.11 2.00e-156 . . . . 5409 1 4 no GB EDL31647 . "mCG13402, isoform CRA_d [Mus musculus]" . . . . . 85.55 489 99.11 99.11 2.00e-156 . . . . 5409 1 5 no GB EDL89385 . "polypyrimidine tract binding protein 1, isoform CRA_b [Rattus norvegicus]" . . . . . 85.55 490 98.67 99.11 1.18e-155 . . . . 5409 1 6 no GB EDL89387 . "polypyrimidine tract binding protein 1, isoform CRA_d [Rattus norvegicus]" . . . . . 96.20 500 97.23 98.81 4.71e-159 . . . . 5409 1 7 no REF NP_001269942 . "polypyrimidine tract-binding protein 1 isoform 3 [Mus musculus]" . . . . . 85.55 489 99.11 99.11 2.00e-156 . . . . 5409 1 8 no REF XP_008985119 . "PREDICTED: polypyrimidine tract-binding protein 1 isoform X3 [Callithrix jacchus]" . . . . . 71.86 448 99.47 99.47 2.43e-129 . . . . 5409 1 9 no REF XP_008985120 . "PREDICTED: polypyrimidine tract-binding protein 1 isoform X3 [Callithrix jacchus]" . . . . . 71.86 448 99.47 99.47 2.43e-129 . . . . 5409 1 10 no REF XP_010330760 . "PREDICTED: polypyrimidine tract-binding protein 1 [Saimiri boliviensis boliviensis]" . . . . . 95.06 651 98.80 99.20 1.33e-156 . . . . 5409 1 11 no REF XP_010805519 . "PREDICTED: polypyrimidine tract-binding protein 1 isoform X1 [Bos taurus]" . . . . . 95.06 527 98.40 99.20 2.01e-157 . . . . 5409 1 12 no SP Q00438 . "RecName: Full=Polypyrimidine tract-binding protein 1; Short=PTB; AltName: Full=Heterogeneous nuclear ribonucleoprotein I; Short" . . . . . 95.06 555 97.20 98.80 5.00e-156 . . . . 5409 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human Polypyrimidine Tract Binding Protein' common 5409 1 'Isoform 1' variant 5409 1 PTB1 abbreviation 5409 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 39 MET . 5409 1 2 40 ARG . 5409 1 3 41 GLY . 5409 1 4 42 SER . 5409 1 5 43 HIS . 5409 1 6 44 HIS . 5409 1 7 45 HIS . 5409 1 8 46 HIS . 5409 1 9 47 HIS . 5409 1 10 48 HIS . 5409 1 11 49 GLY . 5409 1 12 50 SER . 5409 1 13 51 SER . 5409 1 14 52 ARG . 5409 1 15 53 SER . 5409 1 16 54 SER . 5409 1 17 55 GLY . 5409 1 18 56 VAL . 5409 1 19 57 PRO . 5409 1 20 58 SER . 5409 1 21 59 ARG . 5409 1 22 60 VAL . 5409 1 23 61 ILE . 5409 1 24 62 HIS . 5409 1 25 63 ILE . 5409 1 26 64 ARG . 5409 1 27 65 LYS . 5409 1 28 66 LEU . 5409 1 29 67 PRO . 5409 1 30 68 ILE . 5409 1 31 69 ASP . 5409 1 32 70 VAL . 5409 1 33 71 THR . 5409 1 34 72 GLU . 5409 1 35 73 GLY . 5409 1 36 74 GLU . 5409 1 37 75 VAL . 5409 1 38 76 ILE . 5409 1 39 77 SER . 5409 1 40 78 LEU . 5409 1 41 79 GLY . 5409 1 42 80 LEU . 5409 1 43 81 PRO . 5409 1 44 82 PHE . 5409 1 45 83 GLY . 5409 1 46 84 LYS . 5409 1 47 85 VAL . 5409 1 48 86 THR . 5409 1 49 87 ASN . 5409 1 50 88 LEU . 5409 1 51 89 LEU . 5409 1 52 90 MET . 5409 1 53 91 LEU . 5409 1 54 92 LYS . 5409 1 55 93 GLY . 5409 1 56 94 LYS . 5409 1 57 95 ASN . 5409 1 58 96 GLN . 5409 1 59 97 ALA . 5409 1 60 98 PHE . 5409 1 61 99 ILE . 5409 1 62 100 GLU . 5409 1 63 101 MET . 5409 1 64 102 ASN . 5409 1 65 103 THR . 5409 1 66 104 GLU . 5409 1 67 105 GLU . 5409 1 68 106 ALA . 5409 1 69 107 ALA . 5409 1 70 108 ASN . 5409 1 71 109 THR . 5409 1 72 110 MET . 5409 1 73 111 VAL . 5409 1 74 112 ASN . 5409 1 75 113 TYR . 5409 1 76 114 TYR . 5409 1 77 115 THR . 5409 1 78 116 SER . 5409 1 79 117 VAL . 5409 1 80 118 THR . 5409 1 81 119 PRO . 5409 1 82 120 VAL . 5409 1 83 121 LEU . 5409 1 84 122 ARG . 5409 1 85 123 GLY . 5409 1 86 124 GLN . 5409 1 87 125 PRO . 5409 1 88 126 ILE . 5409 1 89 127 TYR . 5409 1 90 128 ILE . 5409 1 91 129 GLN . 5409 1 92 130 PHE . 5409 1 93 131 SER . 5409 1 94 132 ASN . 5409 1 95 133 HIS . 5409 1 96 134 LYS . 5409 1 97 135 GLU . 5409 1 98 136 LEU . 5409 1 99 137 LYS . 5409 1 100 138 THR . 5409 1 101 139 ASP . 5409 1 102 140 SER . 5409 1 103 141 SER . 5409 1 104 142 PRO . 5409 1 105 143 ASN . 5409 1 106 144 GLN . 5409 1 107 145 ALA . 5409 1 108 146 ARG . 5409 1 109 147 ALA . 5409 1 110 148 GLN . 5409 1 111 149 ALA . 5409 1 112 150 ALA . 5409 1 113 151 LEU . 5409 1 114 152 GLN . 5409 1 115 153 ALA . 5409 1 116 154 VAL . 5409 1 117 155 ASN . 5409 1 118 156 SER . 5409 1 119 157 VAL . 5409 1 120 158 GLN . 5409 1 121 159 SER . 5409 1 122 160 GLY . 5409 1 123 161 ASN . 5409 1 124 162 LEU . 5409 1 125 163 ALA . 5409 1 126 164 LEU . 5409 1 127 165 ALA . 5409 1 128 166 ALA . 5409 1 129 167 SER . 5409 1 130 168 ALA . 5409 1 131 169 ALA . 5409 1 132 170 ALA . 5409 1 133 171 VAL . 5409 1 134 172 ASP . 5409 1 135 173 ALA . 5409 1 136 174 GLY . 5409 1 137 175 MET . 5409 1 138 176 ALA . 5409 1 139 177 MET . 5409 1 140 178 ALA . 5409 1 141 179 GLY . 5409 1 142 180 GLN . 5409 1 143 181 SER . 5409 1 144 182 PRO . 5409 1 145 183 VAL . 5409 1 146 184 LEU . 5409 1 147 185 ARG . 5409 1 148 186 ILE . 5409 1 149 187 ILE . 5409 1 150 188 VAL . 5409 1 151 189 GLU . 5409 1 152 190 ASN . 5409 1 153 191 LEU . 5409 1 154 192 PHE . 5409 1 155 193 TYR . 5409 1 156 194 PRO . 5409 1 157 195 VAL . 5409 1 158 196 THR . 5409 1 159 197 LEU . 5409 1 160 198 ASP . 5409 1 161 199 VAL . 5409 1 162 200 LEU . 5409 1 163 201 HIS . 5409 1 164 202 GLN . 5409 1 165 203 ILE . 5409 1 166 204 PHE . 5409 1 167 205 SER . 5409 1 168 206 LYS . 5409 1 169 207 PHE . 5409 1 170 208 GLY . 5409 1 171 209 THR . 5409 1 172 210 VAL . 5409 1 173 211 LEU . 5409 1 174 212 LYS . 5409 1 175 213 ILE . 5409 1 176 214 ILE . 5409 1 177 215 THR . 5409 1 178 216 PHE . 5409 1 179 217 THR . 5409 1 180 218 LYS . 5409 1 181 219 ASN . 5409 1 182 220 ASN . 5409 1 183 221 GLN . 5409 1 184 222 PHE . 5409 1 185 223 GLN . 5409 1 186 224 ALA . 5409 1 187 225 LEU . 5409 1 188 226 LEU . 5409 1 189 227 GLN . 5409 1 190 228 TYR . 5409 1 191 229 ALA . 5409 1 192 230 ASP . 5409 1 193 231 PRO . 5409 1 194 232 VAL . 5409 1 195 233 SER . 5409 1 196 234 ALA . 5409 1 197 235 GLN . 5409 1 198 236 HIS . 5409 1 199 237 ALA . 5409 1 200 238 LYS . 5409 1 201 239 LEU . 5409 1 202 240 SER . 5409 1 203 241 LEU . 5409 1 204 242 ASP . 5409 1 205 243 GLY . 5409 1 206 244 GLN . 5409 1 207 245 ASN . 5409 1 208 246 ILE . 5409 1 209 247 TYR . 5409 1 210 248 ASN . 5409 1 211 249 ALA . 5409 1 212 250 CYS . 5409 1 213 251 CYS . 5409 1 214 252 THR . 5409 1 215 253 LEU . 5409 1 216 254 ARG . 5409 1 217 255 ILE . 5409 1 218 256 ASP . 5409 1 219 257 PHE . 5409 1 220 258 SER . 5409 1 221 259 LYS . 5409 1 222 260 LEU . 5409 1 223 261 THR . 5409 1 224 262 SER . 5409 1 225 263 LEU . 5409 1 226 264 ASN . 5409 1 227 265 VAL . 5409 1 228 266 LYS . 5409 1 229 267 TYR . 5409 1 230 268 ASN . 5409 1 231 269 ASN . 5409 1 232 270 ASP . 5409 1 233 271 LYS . 5409 1 234 272 SER . 5409 1 235 273 ARG . 5409 1 236 274 ASP . 5409 1 237 275 TYR . 5409 1 238 276 THR . 5409 1 239 277 ARG . 5409 1 240 278 PRO . 5409 1 241 279 ASP . 5409 1 242 280 LEU . 5409 1 243 281 PRO . 5409 1 244 282 SER . 5409 1 245 283 GLY . 5409 1 246 284 ASP . 5409 1 247 285 SER . 5409 1 248 286 GLN . 5409 1 249 287 PRO . 5409 1 250 288 SER . 5409 1 251 289 LEU . 5409 1 252 290 ASP . 5409 1 253 291 GLN . 5409 1 254 292 THR . 5409 1 255 293 MET . 5409 1 256 294 ALA . 5409 1 257 295 ALA . 5409 1 258 296 ALA . 5409 1 259 297 PHE . 5409 1 260 298 GLY . 5409 1 261 299 LEU . 5409 1 262 300 SER . 5409 1 263 301 VAL . 5409 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5409 1 . ARG 2 2 5409 1 . GLY 3 3 5409 1 . SER 4 4 5409 1 . HIS 5 5 5409 1 . HIS 6 6 5409 1 . HIS 7 7 5409 1 . HIS 8 8 5409 1 . HIS 9 9 5409 1 . HIS 10 10 5409 1 . GLY 11 11 5409 1 . SER 12 12 5409 1 . SER 13 13 5409 1 . ARG 14 14 5409 1 . SER 15 15 5409 1 . SER 16 16 5409 1 . GLY 17 17 5409 1 . VAL 18 18 5409 1 . PRO 19 19 5409 1 . SER 20 20 5409 1 . ARG 21 21 5409 1 . VAL 22 22 5409 1 . ILE 23 23 5409 1 . HIS 24 24 5409 1 . ILE 25 25 5409 1 . ARG 26 26 5409 1 . LYS 27 27 5409 1 . LEU 28 28 5409 1 . PRO 29 29 5409 1 . ILE 30 30 5409 1 . ASP 31 31 5409 1 . VAL 32 32 5409 1 . THR 33 33 5409 1 . GLU 34 34 5409 1 . GLY 35 35 5409 1 . GLU 36 36 5409 1 . VAL 37 37 5409 1 . ILE 38 38 5409 1 . SER 39 39 5409 1 . LEU 40 40 5409 1 . GLY 41 41 5409 1 . LEU 42 42 5409 1 . PRO 43 43 5409 1 . PHE 44 44 5409 1 . GLY 45 45 5409 1 . LYS 46 46 5409 1 . VAL 47 47 5409 1 . THR 48 48 5409 1 . ASN 49 49 5409 1 . LEU 50 50 5409 1 . LEU 51 51 5409 1 . MET 52 52 5409 1 . LEU 53 53 5409 1 . LYS 54 54 5409 1 . GLY 55 55 5409 1 . LYS 56 56 5409 1 . ASN 57 57 5409 1 . GLN 58 58 5409 1 . ALA 59 59 5409 1 . PHE 60 60 5409 1 . ILE 61 61 5409 1 . GLU 62 62 5409 1 . MET 63 63 5409 1 . ASN 64 64 5409 1 . THR 65 65 5409 1 . GLU 66 66 5409 1 . GLU 67 67 5409 1 . ALA 68 68 5409 1 . ALA 69 69 5409 1 . ASN 70 70 5409 1 . THR 71 71 5409 1 . MET 72 72 5409 1 . VAL 73 73 5409 1 . ASN 74 74 5409 1 . TYR 75 75 5409 1 . TYR 76 76 5409 1 . THR 77 77 5409 1 . SER 78 78 5409 1 . VAL 79 79 5409 1 . THR 80 80 5409 1 . PRO 81 81 5409 1 . VAL 82 82 5409 1 . LEU 83 83 5409 1 . ARG 84 84 5409 1 . GLY 85 85 5409 1 . GLN 86 86 5409 1 . PRO 87 87 5409 1 . ILE 88 88 5409 1 . TYR 89 89 5409 1 . ILE 90 90 5409 1 . GLN 91 91 5409 1 . PHE 92 92 5409 1 . SER 93 93 5409 1 . ASN 94 94 5409 1 . HIS 95 95 5409 1 . LYS 96 96 5409 1 . GLU 97 97 5409 1 . LEU 98 98 5409 1 . LYS 99 99 5409 1 . THR 100 100 5409 1 . ASP 101 101 5409 1 . SER 102 102 5409 1 . SER 103 103 5409 1 . PRO 104 104 5409 1 . ASN 105 105 5409 1 . GLN 106 106 5409 1 . ALA 107 107 5409 1 . ARG 108 108 5409 1 . ALA 109 109 5409 1 . GLN 110 110 5409 1 . ALA 111 111 5409 1 . ALA 112 112 5409 1 . LEU 113 113 5409 1 . GLN 114 114 5409 1 . ALA 115 115 5409 1 . VAL 116 116 5409 1 . ASN 117 117 5409 1 . SER 118 118 5409 1 . VAL 119 119 5409 1 . GLN 120 120 5409 1 . SER 121 121 5409 1 . GLY 122 122 5409 1 . ASN 123 123 5409 1 . LEU 124 124 5409 1 . ALA 125 125 5409 1 . LEU 126 126 5409 1 . ALA 127 127 5409 1 . ALA 128 128 5409 1 . SER 129 129 5409 1 . ALA 130 130 5409 1 . ALA 131 131 5409 1 . ALA 132 132 5409 1 . VAL 133 133 5409 1 . ASP 134 134 5409 1 . ALA 135 135 5409 1 . GLY 136 136 5409 1 . MET 137 137 5409 1 . ALA 138 138 5409 1 . MET 139 139 5409 1 . ALA 140 140 5409 1 . GLY 141 141 5409 1 . GLN 142 142 5409 1 . SER 143 143 5409 1 . PRO 144 144 5409 1 . VAL 145 145 5409 1 . LEU 146 146 5409 1 . ARG 147 147 5409 1 . ILE 148 148 5409 1 . ILE 149 149 5409 1 . VAL 150 150 5409 1 . GLU 151 151 5409 1 . ASN 152 152 5409 1 . LEU 153 153 5409 1 . PHE 154 154 5409 1 . TYR 155 155 5409 1 . PRO 156 156 5409 1 . VAL 157 157 5409 1 . THR 158 158 5409 1 . LEU 159 159 5409 1 . ASP 160 160 5409 1 . VAL 161 161 5409 1 . LEU 162 162 5409 1 . HIS 163 163 5409 1 . GLN 164 164 5409 1 . ILE 165 165 5409 1 . PHE 166 166 5409 1 . SER 167 167 5409 1 . LYS 168 168 5409 1 . PHE 169 169 5409 1 . GLY 170 170 5409 1 . THR 171 171 5409 1 . VAL 172 172 5409 1 . LEU 173 173 5409 1 . LYS 174 174 5409 1 . ILE 175 175 5409 1 . ILE 176 176 5409 1 . THR 177 177 5409 1 . PHE 178 178 5409 1 . THR 179 179 5409 1 . LYS 180 180 5409 1 . ASN 181 181 5409 1 . ASN 182 182 5409 1 . GLN 183 183 5409 1 . PHE 184 184 5409 1 . GLN 185 185 5409 1 . ALA 186 186 5409 1 . LEU 187 187 5409 1 . LEU 188 188 5409 1 . GLN 189 189 5409 1 . TYR 190 190 5409 1 . ALA 191 191 5409 1 . ASP 192 192 5409 1 . PRO 193 193 5409 1 . VAL 194 194 5409 1 . SER 195 195 5409 1 . ALA 196 196 5409 1 . GLN 197 197 5409 1 . HIS 198 198 5409 1 . ALA 199 199 5409 1 . LYS 200 200 5409 1 . LEU 201 201 5409 1 . SER 202 202 5409 1 . LEU 203 203 5409 1 . ASP 204 204 5409 1 . GLY 205 205 5409 1 . GLN 206 206 5409 1 . ASN 207 207 5409 1 . ILE 208 208 5409 1 . TYR 209 209 5409 1 . ASN 210 210 5409 1 . ALA 211 211 5409 1 . CYS 212 212 5409 1 . CYS 213 213 5409 1 . THR 214 214 5409 1 . LEU 215 215 5409 1 . ARG 216 216 5409 1 . ILE 217 217 5409 1 . ASP 218 218 5409 1 . PHE 219 219 5409 1 . SER 220 220 5409 1 . LYS 221 221 5409 1 . LEU 222 222 5409 1 . THR 223 223 5409 1 . SER 224 224 5409 1 . LEU 225 225 5409 1 . ASN 226 226 5409 1 . VAL 227 227 5409 1 . LYS 228 228 5409 1 . TYR 229 229 5409 1 . ASN 230 230 5409 1 . ASN 231 231 5409 1 . ASP 232 232 5409 1 . LYS 233 233 5409 1 . SER 234 234 5409 1 . ARG 235 235 5409 1 . ASP 236 236 5409 1 . TYR 237 237 5409 1 . THR 238 238 5409 1 . ARG 239 239 5409 1 . PRO 240 240 5409 1 . ASP 241 241 5409 1 . LEU 242 242 5409 1 . PRO 243 243 5409 1 . SER 244 244 5409 1 . GLY 245 245 5409 1 . ASP 246 246 5409 1 . SER 247 247 5409 1 . GLN 248 248 5409 1 . PRO 249 249 5409 1 . SER 250 250 5409 1 . LEU 251 251 5409 1 . ASP 252 252 5409 1 . GLN 253 253 5409 1 . THR 254 254 5409 1 . MET 255 255 5409 1 . ALA 256 256 5409 1 . ALA 257 257 5409 1 . ALA 258 258 5409 1 . PHE 259 259 5409 1 . GLY 260 260 5409 1 . LEU 261 261 5409 1 . SER 262 262 5409 1 . VAL 263 263 5409 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 5409 _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 $PTB1-12 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5409 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 5409 _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 $PTB1-12 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5409 _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 'Human Polypyrimidine Tract Binding Protein' '[U-80% 2H; U-13C; U-15N]' . . 1 $PTB1-12 . . 0.5 . . mM . . . . 5409 1 2 DTT . . . . . . . 10 . . mM . . . . 5409 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5409 _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* 6.0 0.2 n/a 5409 1 temperature 298 2 K 5409 1 'ionic strength' 0.2 0.02 M 5409 1 stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5409 _Software.ID 1 _Software.Name Aurelia _Software.Version 2.8.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Strip-based backbone assignment' 5409 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5409 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5409 _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_spectrometer Bruker DRX . 500 . . . 5409 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 5409 _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 HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 2 CT-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 3 '2H-dec CT-HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 4 '2H-dec HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 6 '2H-dec CT-HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5409 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 5409 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CT-HNCA _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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2H-dec CT-HN(CO)CA' _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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2H-dec 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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2H-dec CT-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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _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 'The CBCA expt. started with steady-state Ca,Cb magnetisation.' 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 5409 _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 . . . . . . . . . 5409 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5409 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5409 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_Shift_Set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Set_1 _Assigned_chem_shift_list.Entry_ID 5409 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _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 ; The unstructured region linking domains 1 and 2 could not be assigned due to spectral overlap. ; _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 $sample_1 . 5409 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 16 16 SER C C 13 174.71 0.1 . 1 . . . . 54 . . . 5409 1 2 . 1 1 16 16 SER CA C 13 57.90 0.1 . 1 . . . . 54 . . . 5409 1 3 . 1 1 16 16 SER CB C 13 63.34 0.1 . 1 . . . . 54 . . . 5409 1 4 . 1 1 17 17 GLY C C 13 173.33 0.1 . 1 . . . . 55 . . . 5409 1 5 . 1 1 17 17 GLY CA C 13 44.26 0.1 . 1 . . . . 55 . . . 5409 1 6 . 1 1 17 17 GLY N N 15 111.63 0.1 . 1 . . . . 55 . . . 5409 1 7 . 1 1 17 17 GLY H H 1 8.38 0.02 . 1 . . . . 55 . . . 5409 1 8 . 1 1 18 18 VAL C C 13 174.50 0.1 . 1 . . . . 56 . . . 5409 1 9 . 1 1 18 18 VAL CA C 13 58.97 0.1 . 1 . . . . 56 . . . 5409 1 10 . 1 1 18 18 VAL CB C 13 32.15 0.1 . 1 . . . . 56 . . . 5409 1 11 . 1 1 18 18 VAL N N 15 123.44 0.1 . 1 . . . . 56 . . . 5409 1 12 . 1 1 18 18 VAL H H 1 8.12 0.02 . 1 . . . . 56 . . . 5409 1 13 . 1 1 19 19 PRO C C 13 175.30 0.1 . 1 . . . . 57 . . . 5409 1 14 . 1 1 19 19 PRO CA C 13 62.42 0.1 . 1 . . . . 57 . . . 5409 1 15 . 1 1 19 19 PRO CB C 13 30.77 0.1 . 1 . . . . 57 . . . 5409 1 16 . 1 1 20 20 SER C C 13 173.08 0.1 . 1 . . . . 58 . . . 5409 1 17 . 1 1 20 20 SER CA C 13 55.91 0.1 . 1 . . . . 58 . . . 5409 1 18 . 1 1 20 20 SER CB C 13 63.95 0.1 . 1 . . . . 58 . . . 5409 1 19 . 1 1 20 20 SER N N 15 116.44 0.1 . 1 . . . . 58 . . . 5409 1 20 . 1 1 20 20 SER H H 1 7.33 0.02 . 1 . . . . 58 . . . 5409 1 21 . 1 1 21 21 ARG C C 13 174.66 0.1 . 1 . . . . 59 . . . 5409 1 22 . 1 1 21 21 ARG CA C 13 56.06 0.1 . 1 . . . . 59 . . . 5409 1 23 . 1 1 21 21 ARG CB C 13 30.85 0.1 . 1 . . . . 59 . . . 5409 1 24 . 1 1 21 21 ARG N N 15 120.55 0.1 . 1 . . . . 59 . . . 5409 1 25 . 1 1 21 21 ARG H H 1 8.51 0.02 . 1 . . . . 59 . . . 5409 1 26 . 1 1 22 22 VAL C C 13 174.36 0.1 . 1 . . . . 60 . . . 5409 1 27 . 1 1 22 22 VAL CA C 13 61.42 0.1 . 1 . . . . 60 . . . 5409 1 28 . 1 1 22 22 VAL CB C 13 31.54 0.1 . 1 . . . . 60 . . . 5409 1 29 . 1 1 22 22 VAL N N 15 120.94 0.1 . 1 . . . . 60 . . . 5409 1 30 . 1 1 22 22 VAL H H 1 8.56 0.02 . 1 . . . . 60 . . . 5409 1 31 . 1 1 23 23 ILE C C 13 173.73 0.1 . 1 . . . . 61 . . . 5409 1 32 . 1 1 23 23 ILE CA C 13 58.82 0.1 . 1 . . . . 61 . . . 5409 1 33 . 1 1 23 23 ILE CB C 13 39.66 0.1 . 1 . . . . 61 . . . 5409 1 34 . 1 1 23 23 ILE N N 15 131.02 0.1 . 1 . . . . 61 . . . 5409 1 35 . 1 1 23 23 ILE H H 1 9.44 0.02 . 1 . . . . 61 . . . 5409 1 36 . 1 1 24 24 HIS C C 13 173.30 0.1 . 1 . . . . 62 . . . 5409 1 37 . 1 1 24 24 HIS CA C 13 52.53 0.1 . 1 . . . . 62 . . . 5409 1 38 . 1 1 24 24 HIS CB C 13 34.53 0.1 . 1 . . . . 62 . . . 5409 1 39 . 1 1 24 24 HIS N N 15 130.25 0.1 . 1 . . . . 62 . . . 5409 1 40 . 1 1 24 24 HIS H H 1 9.34 0.02 . 1 . . . . 62 . . . 5409 1 41 . 1 1 25 25 ILE C C 13 174.47 0.1 . 1 . . . . 63 . . . 5409 1 42 . 1 1 25 25 ILE CA C 13 59.35 0.1 . 1 . . . . 63 . . . 5409 1 43 . 1 1 25 25 ILE CB C 13 38.82 0.1 . 1 . . . . 63 . . . 5409 1 44 . 1 1 25 25 ILE N N 15 129.54 0.1 . 1 . . . . 63 . . . 5409 1 45 . 1 1 25 25 ILE H H 1 9.18 0.02 . 1 . . . . 63 . . . 5409 1 46 . 1 1 26 26 ARG C C 13 174.01 0.1 . 1 . . . . 64 . . . 5409 1 47 . 1 1 26 26 ARG CA C 13 53.76 0.1 . 1 . . . . 64 . . . 5409 1 48 . 1 1 26 26 ARG CB C 13 33.99 0.1 . 1 . . . . 64 . . . 5409 1 49 . 1 1 26 26 ARG N N 15 125.05 0.1 . 1 . . . . 64 . . . 5409 1 50 . 1 1 26 26 ARG H H 1 8.82 0.02 . 1 . . . . 64 . . . 5409 1 51 . 1 1 27 27 LYS C C 13 175.10 0.1 . 1 . . . . 65 . . . 5409 1 52 . 1 1 27 27 LYS CA C 13 56.14 0.1 . 1 . . . . 65 . . . 5409 1 53 . 1 1 27 27 LYS CB C 13 28.78 0.1 . 1 . . . . 65 . . . 5409 1 54 . 1 1 27 27 LYS N N 15 115.93 0.1 . 1 . . . . 65 . . . 5409 1 55 . 1 1 27 27 LYS H H 1 8.55 0.02 . 1 . . . . 65 . . . 5409 1 56 . 1 1 28 28 LEU C C 13 175.01 0.1 . 1 . . . . 66 . . . 5409 1 57 . 1 1 28 28 LEU CA C 13 52.69 0.1 . 1 . . . . 66 . . . 5409 1 58 . 1 1 28 28 LEU CB C 13 41.27 0.1 . 1 . . . . 66 . . . 5409 1 59 . 1 1 28 28 LEU N N 15 117.34 0.1 . 1 . . . . 66 . . . 5409 1 60 . 1 1 28 28 LEU H H 1 7.79 0.02 . 1 . . . . 66 . . . 5409 1 61 . 1 1 29 29 PRO C C 13 177.55 0.1 . 1 . . . . 67 . . . 5409 1 62 . 1 1 29 29 PRO CA C 13 61.65 0.1 . 1 . . . . 67 . . . 5409 1 63 . 1 1 29 29 PRO CB C 13 31.31 0.1 . 1 . . . . 67 . . . 5409 1 64 . 1 1 30 30 ILE C C 13 175.48 0.1 . 1 . . . . 68 . . . 5409 1 65 . 1 1 30 30 ILE CA C 13 62.42 0.1 . 1 . . . . 68 . . . 5409 1 66 . 1 1 30 30 ILE CB C 13 37.75 0.1 . 1 . . . . 68 . . . 5409 1 67 . 1 1 30 30 ILE N N 15 122.67 0.1 . 1 . . . . 68 . . . 5409 1 68 . 1 1 30 30 ILE H H 1 8.40 0.02 . 1 . . . . 68 . . . 5409 1 69 . 1 1 31 31 ASP C C 13 175.48 0.1 . 1 . . . . 69 . . . 5409 1 70 . 1 1 31 31 ASP CA C 13 52.84 0.1 . 1 . . . . 69 . . . 5409 1 71 . 1 1 31 31 ASP CB C 13 38.89 0.1 . 1 . . . . 69 . . . 5409 1 72 . 1 1 31 31 ASP N N 15 119.39 0.1 . 1 . . . . 69 . . . 5409 1 73 . 1 1 31 31 ASP H H 1 8.30 0.02 . 1 . . . . 69 . . . 5409 1 74 . 1 1 32 32 VAL C C 13 173.53 0.1 . 1 . . . . 70 . . . 5409 1 75 . 1 1 32 32 VAL CA C 13 61.42 0.1 . 1 . . . . 70 . . . 5409 1 76 . 1 1 32 32 VAL CB C 13 31.31 0.1 . 1 . . . . 70 . . . 5409 1 77 . 1 1 32 32 VAL N N 15 119.39 0.1 . 1 . . . . 70 . . . 5409 1 78 . 1 1 32 32 VAL H H 1 6.94 0.02 . 1 . . . . 70 . . . 5409 1 79 . 1 1 33 33 THR C C 13 175.59 0.1 . 1 . . . . 71 . . . 5409 1 80 . 1 1 33 33 THR CA C 13 59.43 0.1 . 1 . . . . 71 . . . 5409 1 81 . 1 1 33 33 THR CB C 13 71.54 0.1 . 1 . . . . 71 . . . 5409 1 82 . 1 1 33 33 THR N N 15 117.34 0.1 . 1 . . . . 71 . . . 5409 1 83 . 1 1 33 33 THR H H 1 8.11 0.02 . 1 . . . . 71 . . . 5409 1 84 . 1 1 34 34 GLU C C 13 178.76 0.1 . 1 . . . . 72 . . . 5409 1 85 . 1 1 34 34 GLU CA C 13 60.20 0.1 . 1 . . . . 72 . . . 5409 1 86 . 1 1 34 34 GLU CB C 13 28.70 0.1 . 1 . . . . 72 . . . 5409 1 87 . 1 1 34 34 GLU N N 15 122.86 0.1 . 1 . . . . 72 . . . 5409 1 88 . 1 1 34 34 GLU H H 1 9.28 0.02 . 1 . . . . 72 . . . 5409 1 89 . 1 1 35 35 GLY C C 13 177.01 0.1 . 1 . . . . 73 . . . 5409 1 90 . 1 1 35 35 GLY CA C 13 46.48 0.1 . 1 . . . . 73 . . . 5409 1 91 . 1 1 35 35 GLY N N 15 105.59 0.1 . 1 . . . . 73 . . . 5409 1 92 . 1 1 35 35 GLY H H 1 8.67 0.02 . 1 . . . . 73 . . . 5409 1 93 . 1 1 36 36 GLU C C 13 178.55 0.1 . 1 . . . . 74 . . . 5409 1 94 . 1 1 36 36 GLU CA C 13 58.36 0.1 . 1 . . . . 74 . . . 5409 1 95 . 1 1 36 36 GLU CB C 13 30.31 0.1 . 1 . . . . 74 . . . 5409 1 96 . 1 1 36 36 GLU N N 15 122.73 0.1 . 1 . . . . 74 . . . 5409 1 97 . 1 1 36 36 GLU H H 1 7.63 0.02 . 1 . . . . 74 . . . 5409 1 98 . 1 1 37 37 VAL C C 13 177.77 0.1 . 1 . . . . 75 . . . 5409 1 99 . 1 1 37 37 VAL CA C 13 66.10 0.1 . 1 . . . . 75 . . . 5409 1 100 . 1 1 37 37 VAL CB C 13 30.54 0.1 . 1 . . . . 75 . . . 5409 1 101 . 1 1 37 37 VAL N N 15 120.61 0.1 . 1 . . . . 75 . . . 5409 1 102 . 1 1 37 37 VAL H H 1 7.41 0.02 . 1 . . . . 75 . . . 5409 1 103 . 1 1 38 38 ILE C C 13 178.97 0.1 . 1 . . . . 76 . . . 5409 1 104 . 1 1 38 38 ILE CA C 13 65.18 0.1 . 1 . . . . 76 . . . 5409 1 105 . 1 1 38 38 ILE CB C 13 37.75 0.1 . 1 . . . . 76 . . . 5409 1 106 . 1 1 38 38 ILE N N 15 120.04 0.1 . 1 . . . . 76 . . . 5409 1 107 . 1 1 38 38 ILE H H 1 8.47 0.02 . 1 . . . . 76 . . . 5409 1 108 . 1 1 39 39 SER C C 13 175.30 0.1 . 1 . . . . 77 . . . 5409 1 109 . 1 1 39 39 SER CA C 13 62.19 0.1 . 1 . . . . 77 . . . 5409 1 110 . 1 1 39 39 SER CB C 13 62.34 0.1 . 1 . . . . 77 . . . 5409 1 111 . 1 1 39 39 SER N N 15 115.67 0.1 . 1 . . . . 77 . . . 5409 1 112 . 1 1 39 39 SER H H 1 7.86 0.02 . 1 . . . . 77 . . . 5409 1 113 . 1 1 40 40 LEU C C 13 179.58 0.1 . 1 . . . . 78 . . . 5409 1 114 . 1 1 40 40 LEU CA C 13 56.06 0.1 . 1 . . . . 78 . . . 5409 1 115 . 1 1 40 40 LEU CB C 13 42.11 0.1 . 1 . . . . 78 . . . 5409 1 116 . 1 1 40 40 LEU N N 15 121.26 0.1 . 1 . . . . 78 . . . 5409 1 117 . 1 1 40 40 LEU H H 1 7.48 0.02 . 1 . . . . 78 . . . 5409 1 118 . 1 1 41 41 GLY C C 13 173.55 0.1 . 1 . . . . 79 . . . 5409 1 119 . 1 1 41 41 GLY CA C 13 45.41 0.1 . 1 . . . . 79 . . . 5409 1 120 . 1 1 41 41 GLY N N 15 103.28 0.1 . 1 . . . . 79 . . . 5409 1 121 . 1 1 41 41 GLY H H 1 7.92 0.02 . 1 . . . . 79 . . . 5409 1 122 . 1 1 42 42 LEU C C 13 175.37 0.1 . 1 . . . . 80 . . . 5409 1 123 . 1 1 42 42 LEU CA C 13 57.29 0.1 . 1 . . . . 80 . . . 5409 1 124 . 1 1 42 42 LEU CB C 13 39.51 0.1 . 1 . . . . 80 . . . 5409 1 125 . 1 1 42 42 LEU N N 15 121.64 0.1 . 1 . . . . 80 . . . 5409 1 126 . 1 1 42 42 LEU H H 1 7.16 0.02 . 1 . . . . 80 . . . 5409 1 127 . 1 1 43 43 PRO C C 13 176.45 0.1 . 1 . . . . 81 . . . 5409 1 128 . 1 1 43 43 PRO CA C 13 64.03 0.1 . 1 . . . . 81 . . . 5409 1 129 . 1 1 43 43 PRO CB C 13 29.93 0.1 . 1 . . . . 81 . . . 5409 1 130 . 1 1 44 44 PHE C C 13 175.05 0.1 . 1 . . . . 82 . . . 5409 1 131 . 1 1 44 44 PHE CA C 13 57.29 0.1 . 1 . . . . 82 . . . 5409 1 132 . 1 1 44 44 PHE CB C 13 40.04 0.1 . 1 . . . . 82 . . . 5409 1 133 . 1 1 44 44 PHE N N 15 113.74 0.1 . 1 . . . . 82 . . . 5409 1 134 . 1 1 44 44 PHE H H 1 7.74 0.02 . 1 . . . . 82 . . . 5409 1 135 . 1 1 45 45 GLY C C 13 170.12 0.1 . 1 . . . . 83 . . . 5409 1 136 . 1 1 45 45 GLY CA C 13 45.02 0.1 . 1 . . . . 83 . . . 5409 1 137 . 1 1 45 45 GLY N N 15 107.52 0.1 . 1 . . . . 83 . . . 5409 1 138 . 1 1 45 45 GLY H H 1 7.57 0.02 . 1 . . . . 83 . . . 5409 1 139 . 1 1 46 46 LYS C C 13 174.97 0.1 . 1 . . . . 84 . . . 5409 1 140 . 1 1 46 46 LYS CA C 13 54.30 0.1 . 1 . . . . 84 . . . 5409 1 141 . 1 1 46 46 LYS CB C 13 33.53 0.1 . 1 . . . . 84 . . . 5409 1 142 . 1 1 46 46 LYS N N 15 120.16 0.1 . 1 . . . . 84 . . . 5409 1 143 . 1 1 46 46 LYS H H 1 7.51 0.02 . 1 . . . . 84 . . . 5409 1 144 . 1 1 47 47 VAL C C 13 177.12 0.1 . 1 . . . . 85 . . . 5409 1 145 . 1 1 47 47 VAL CA C 13 61.27 0.1 . 1 . . . . 85 . . . 5409 1 146 . 1 1 47 47 VAL CB C 13 31.61 0.1 . 1 . . . . 85 . . . 5409 1 147 . 1 1 47 47 VAL N N 15 126.40 0.1 . 1 . . . . 85 . . . 5409 1 148 . 1 1 47 47 VAL H H 1 8.03 0.02 . 1 . . . . 85 . . . 5409 1 149 . 1 1 48 48 THR C C 13 175.07 0.1 . 1 . . . . 86 . . . 5409 1 150 . 1 1 48 48 THR CA C 13 61.96 0.1 . 1 . . . . 86 . . . 5409 1 151 . 1 1 48 48 THR CB C 13 67.71 0.1 . 1 . . . . 86 . . . 5409 1 152 . 1 1 48 48 THR N N 15 122.54 0.1 . 1 . . . . 86 . . . 5409 1 153 . 1 1 48 48 THR H H 1 9.17 0.02 . 1 . . . . 86 . . . 5409 1 154 . 1 1 49 49 ASN C C 13 171.92 0.1 . 1 . . . . 87 . . . 5409 1 155 . 1 1 49 49 ASN CA C 13 52.69 0.1 . 1 . . . . 87 . . . 5409 1 156 . 1 1 49 49 ASN CB C 13 41.73 0.1 . 1 . . . . 87 . . . 5409 1 157 . 1 1 49 49 ASN N N 15 119.46 0.1 . 1 . . . . 87 . . . 5409 1 158 . 1 1 49 49 ASN H H 1 7.72 0.02 . 1 . . . . 87 . . . 5409 1 159 . 1 1 50 50 LEU C C 13 173.86 0.1 . 1 . . . . 88 . . . 5409 1 160 . 1 1 50 50 LEU CA C 13 53.84 0.1 . 1 . . . . 88 . . . 5409 1 161 . 1 1 50 50 LEU CB C 13 44.79 0.1 . 1 . . . . 88 . . . 5409 1 162 . 1 1 50 50 LEU N N 15 124.08 0.1 . 1 . . . . 88 . . . 5409 1 163 . 1 1 50 50 LEU H H 1 8.33 0.02 . 1 . . . . 88 . . . 5409 1 164 . 1 1 51 51 LEU C C 13 174.88 0.1 . 1 . . . . 89 . . . 5409 1 165 . 1 1 51 51 LEU CA C 13 53.53 0.1 . 1 . . . . 89 . . . 5409 1 166 . 1 1 51 51 LEU CB C 13 44.72 0.1 . 1 . . . . 89 . . . 5409 1 167 . 1 1 51 51 LEU N N 15 129.41 0.1 . 1 . . . . 89 . . . 5409 1 168 . 1 1 51 51 LEU H H 1 9.10 0.02 . 1 . . . . 89 . . . 5409 1 169 . 1 1 52 52 MET C C 13 175.19 0.1 . 1 . . . . 90 . . . 5409 1 170 . 1 1 52 52 MET CA C 13 53.76 0.1 . 1 . . . . 90 . . . 5409 1 171 . 1 1 52 52 MET CB C 13 32.46 0.1 . 1 . . . . 90 . . . 5409 1 172 . 1 1 52 52 MET N N 15 127.55 0.1 . 1 . . . . 90 . . . 5409 1 173 . 1 1 52 52 MET H H 1 9.11 0.02 . 1 . . . . 90 . . . 5409 1 174 . 1 1 53 53 LEU C C 13 176.96 0.1 . 1 . . . . 91 . . . 5409 1 175 . 1 1 53 53 LEU CA C 13 52.92 0.1 . 1 . . . . 91 . . . 5409 1 176 . 1 1 53 53 LEU CB C 13 40.43 0.1 . 1 . . . . 91 . . . 5409 1 177 . 1 1 53 53 LEU N N 15 128.84 0.1 . 1 . . . . 91 . . . 5409 1 178 . 1 1 53 53 LEU H H 1 8.40 0.02 . 1 . . . . 91 . . . 5409 1 179 . 1 1 54 54 LYS CA C 13 58.82 0.1 . 1 . . . . 92 . . . 5409 1 180 . 1 1 54 54 LYS CB C 13 31.69 0.1 . 1 . . . . 92 . . . 5409 1 181 . 1 1 54 54 LYS N N 15 125.44 0.1 . 1 . . . . 92 . . . 5409 1 182 . 1 1 54 54 LYS H H 1 8.39 0.02 . 1 . . . . 92 . . . 5409 1 183 . 1 1 55 55 GLY C C 13 174.37 0.1 . 1 . . . . 93 . . . 5409 1 184 . 1 1 55 55 GLY CA C 13 45.33 0.1 . 1 . . . . 93 . . . 5409 1 185 . 1 1 55 55 GLY N N 15 110.28 0.1 . 1 . . . . 93 . . . 5409 1 186 . 1 1 55 55 GLY H H 1 8.91 0.02 . 1 . . . . 93 . . . 5409 1 187 . 1 1 56 56 LYS C C 13 175.84 0.1 . 1 . . . . 94 . . . 5409 1 188 . 1 1 56 56 LYS CA C 13 54.07 0.1 . 1 . . . . 94 . . . 5409 1 189 . 1 1 56 56 LYS CB C 13 33.15 0.1 . 1 . . . . 94 . . . 5409 1 190 . 1 1 56 56 LYS N N 15 117.85 0.1 . 1 . . . . 94 . . . 5409 1 191 . 1 1 56 56 LYS H H 1 7.44 0.02 . 1 . . . . 94 . . . 5409 1 192 . 1 1 57 57 ASN C C 13 173.91 0.1 . 1 . . . . 95 . . . 5409 1 193 . 1 1 57 57 ASN CA C 13 53.76 0.1 . 1 . . . . 95 . . . 5409 1 194 . 1 1 57 57 ASN CB C 13 36.29 0.1 . 1 . . . . 95 . . . 5409 1 195 . 1 1 57 57 ASN N N 15 117.92 0.1 . 1 . . . . 95 . . . 5409 1 196 . 1 1 57 57 ASN H H 1 8.22 0.02 . 1 . . . . 95 . . . 5409 1 197 . 1 1 58 58 GLN C C 13 174.14 0.1 . 1 . . . . 96 . . . 5409 1 198 . 1 1 58 58 GLN CA C 13 52.99 0.1 . 1 . . . . 96 . . . 5409 1 199 . 1 1 58 58 GLN CB C 13 34.91 0.1 . 1 . . . . 96 . . . 5409 1 200 . 1 1 58 58 GLN N N 15 114.38 0.1 . 1 . . . . 96 . . . 5409 1 201 . 1 1 58 58 GLN H H 1 7.38 0.02 . 1 . . . . 96 . . . 5409 1 202 . 1 1 59 59 ALA C C 13 174.36 0.1 . 1 . . . . 97 . . . 5409 1 203 . 1 1 59 59 ALA CA C 13 50.77 0.1 . 1 . . . . 97 . . . 5409 1 204 . 1 1 59 59 ALA CB C 13 23.95 0.1 . 1 . . . . 97 . . . 5409 1 205 . 1 1 59 59 ALA N N 15 121.32 0.1 . 1 . . . . 97 . . . 5409 1 206 . 1 1 59 59 ALA H H 1 8.86 0.02 . 1 . . . . 97 . . . 5409 1 207 . 1 1 60 60 PHE C C 13 175.08 0.1 . 1 . . . . 98 . . . 5409 1 208 . 1 1 60 60 PHE CA C 13 55.68 0.1 . 1 . . . . 98 . . . 5409 1 209 . 1 1 60 60 PHE CB C 13 41.88 0.1 . 1 . . . . 98 . . . 5409 1 210 . 1 1 60 60 PHE N N 15 119.14 0.1 . 1 . . . . 98 . . . 5409 1 211 . 1 1 60 60 PHE H H 1 9.18 0.02 . 1 . . . . 98 . . . 5409 1 212 . 1 1 61 61 ILE C C 13 172.60 0.1 . 1 . . . . 99 . . . 5409 1 213 . 1 1 61 61 ILE CA C 13 58.66 0.1 . 1 . . . . 99 . . . 5409 1 214 . 1 1 61 61 ILE CB C 13 41.65 0.1 . 1 . . . . 99 . . . 5409 1 215 . 1 1 61 61 ILE N N 15 120.55 0.1 . 1 . . . . 99 . . . 5409 1 216 . 1 1 61 61 ILE H H 1 9.18 0.02 . 1 . . . . 99 . . . 5409 1 217 . 1 1 62 62 GLU C C 13 174.95 0.1 . 1 . . . . 100 . . . 5409 1 218 . 1 1 62 62 GLU CA C 13 53.76 0.1 . 1 . . . . 100 . . . 5409 1 219 . 1 1 62 62 GLU CB C 13 33.07 0.1 . 1 . . . . 100 . . . 5409 1 220 . 1 1 62 62 GLU N N 15 128.45 0.1 . 1 . . . . 100 . . . 5409 1 221 . 1 1 62 62 GLU H H 1 8.58 0.02 . 1 . . . . 100 . . . 5409 1 222 . 1 1 63 63 MET C C 13 177.68 0.1 . 1 . . . . 101 . . . 5409 1 223 . 1 1 63 63 MET CA C 13 51.31 0.1 . 1 . . . . 101 . . . 5409 1 224 . 1 1 63 63 MET CB C 13 31.92 0.1 . 1 . . . . 101 . . . 5409 1 225 . 1 1 63 63 MET N N 15 124.28 0.1 . 1 . . . . 101 . . . 5409 1 226 . 1 1 63 63 MET H H 1 8.75 0.02 . 1 . . . . 101 . . . 5409 1 227 . 1 1 64 64 ASN C C 13 175.01 0.1 . 1 . . . . 102 . . . 5409 1 228 . 1 1 64 64 ASN CA C 13 55.91 0.1 . 1 . . . . 102 . . . 5409 1 229 . 1 1 64 64 ASN CB C 13 37.06 0.1 . 1 . . . . 102 . . . 5409 1 230 . 1 1 64 64 ASN N N 15 118.17 0.1 . 1 . . . . 102 . . . 5409 1 231 . 1 1 64 64 ASN H H 1 9.07 0.02 . 1 . . . . 102 . . . 5409 1 232 . 1 1 65 65 THR C C 13 174.26 0.1 . 1 . . . . 103 . . . 5409 1 233 . 1 1 65 65 THR CA C 13 58.20 0.1 . 1 . . . . 103 . . . 5409 1 234 . 1 1 65 65 THR CB C 13 72.84 0.1 . 1 . . . . 103 . . . 5409 1 235 . 1 1 65 65 THR N N 15 106.16 0.1 . 1 . . . . 103 . . . 5409 1 236 . 1 1 65 65 THR H H 1 7.24 0.02 . 1 . . . . 103 . . . 5409 1 237 . 1 1 66 66 GLU C C 13 178.64 0.1 . 1 . . . . 104 . . . 5409 1 238 . 1 1 66 66 GLU CA C 13 59.12 0.1 . 1 . . . . 104 . . . 5409 1 239 . 1 1 66 66 GLU CB C 13 28.70 0.1 . 1 . . . . 104 . . . 5409 1 240 . 1 1 66 66 GLU N N 15 124.08 0.1 . 1 . . . . 104 . . . 5409 1 241 . 1 1 66 66 GLU H H 1 9.30 0.02 . 1 . . . . 104 . . . 5409 1 242 . 1 1 67 67 GLU C C 13 178.90 0.1 . 1 . . . . 105 . . . 5409 1 243 . 1 1 67 67 GLU CA C 13 59.73 0.1 . 1 . . . . 105 . . . 5409 1 244 . 1 1 67 67 GLU CB C 13 28.55 0.1 . 1 . . . . 105 . . . 5409 1 245 . 1 1 67 67 GLU N N 15 122.35 0.1 . 1 . . . . 105 . . . 5409 1 246 . 1 1 67 67 GLU H H 1 8.78 0.02 . 1 . . . . 105 . . . 5409 1 247 . 1 1 68 68 ALA C C 13 179.29 0.1 . 1 . . . . 106 . . . 5409 1 248 . 1 1 68 68 ALA CA C 13 54.76 0.1 . 1 . . . . 106 . . . 5409 1 249 . 1 1 68 68 ALA CB C 13 19.43 0.1 . 1 . . . . 106 . . . 5409 1 250 . 1 1 68 68 ALA N N 15 125.88 0.1 . 1 . . . . 106 . . . 5409 1 251 . 1 1 68 68 ALA H H 1 8.38 0.02 . 1 . . . . 106 . . . 5409 1 252 . 1 1 69 69 ALA C C 13 178.28 0.1 . 1 . . . . 107 . . . 5409 1 253 . 1 1 69 69 ALA CA C 13 54.99 0.1 . 1 . . . . 107 . . . 5409 1 254 . 1 1 69 69 ALA CB C 13 18.82 0.1 . 1 . . . . 107 . . . 5409 1 255 . 1 1 69 69 ALA N N 15 119.91 0.1 . 1 . . . . 107 . . . 5409 1 256 . 1 1 69 69 ALA H H 1 7.45 0.02 . 1 . . . . 107 . . . 5409 1 257 . 1 1 70 70 ASN C C 13 177.57 0.1 . 1 . . . . 108 . . . 5409 1 258 . 1 1 70 70 ASN CA C 13 56.37 0.1 . 1 . . . . 108 . . . 5409 1 259 . 1 1 70 70 ASN CB C 13 38.97 0.1 . 1 . . . . 108 . . . 5409 1 260 . 1 1 70 70 ASN N N 15 117.79 0.1 . 1 . . . . 108 . . . 5409 1 261 . 1 1 70 70 ASN H H 1 8.84 0.02 . 1 . . . . 108 . . . 5409 1 262 . 1 1 71 71 THR C C 13 175.78 0.1 . 1 . . . . 109 . . . 5409 1 263 . 1 1 71 71 THR CA C 13 66.25 0.1 . 1 . . . . 109 . . . 5409 1 264 . 1 1 71 71 THR CB C 13 67.71 0.1 . 1 . . . . 109 . . . 5409 1 265 . 1 1 71 71 THR N N 15 118.43 0.1 . 1 . . . . 109 . . . 5409 1 266 . 1 1 71 71 THR H H 1 8.60 0.02 . 1 . . . . 109 . . . 5409 1 267 . 1 1 72 72 MET C C 13 176.45 0.1 . 1 . . . . 110 . . . 5409 1 268 . 1 1 72 72 MET CA C 13 58.36 0.1 . 1 . . . . 110 . . . 5409 1 269 . 1 1 72 72 MET CB C 13 32.00 0.1 . 1 . . . . 110 . . . 5409 1 270 . 1 1 72 72 MET N N 15 124.60 0.1 . 1 . . . . 110 . . . 5409 1 271 . 1 1 72 72 MET H H 1 7.78 0.02 . 1 . . . . 110 . . . 5409 1 272 . 1 1 73 73 VAL C C 13 179.00 0.1 . 1 . . . . 111 . . . 5409 1 273 . 1 1 73 73 VAL CA C 13 66.71 0.1 . 1 . . . . 111 . . . 5409 1 274 . 1 1 73 73 VAL CB C 13 31.08 0.1 . 1 . . . . 111 . . . 5409 1 275 . 1 1 73 73 VAL N N 15 119.65 0.1 . 1 . . . . 111 . . . 5409 1 276 . 1 1 73 73 VAL H H 1 8.12 0.02 . 1 . . . . 111 . . . 5409 1 277 . 1 1 74 74 ASN C C 13 178.25 0.1 . 1 . . . . 112 . . . 5409 1 278 . 1 1 74 74 ASN CA C 13 55.98 0.1 . 1 . . . . 112 . . . 5409 1 279 . 1 1 74 74 ASN CB C 13 37.52 0.1 . 1 . . . . 112 . . . 5409 1 280 . 1 1 74 74 ASN N N 15 120.10 0.1 . 1 . . . . 112 . . . 5409 1 281 . 1 1 74 74 ASN H H 1 8.34 0.02 . 1 . . . . 112 . . . 5409 1 282 . 1 1 75 75 TYR C C 13 177.96 0.1 . 1 . . . . 113 . . . 5409 1 283 . 1 1 75 75 TYR CA C 13 61.73 0.1 . 1 . . . . 113 . . . 5409 1 284 . 1 1 75 75 TYR CB C 13 37.97 0.1 . 1 . . . . 113 . . . 5409 1 285 . 1 1 75 75 TYR N N 15 125.05 0.1 . 1 . . . . 113 . . . 5409 1 286 . 1 1 75 75 TYR H H 1 8.29 0.02 . 1 . . . . 113 . . . 5409 1 287 . 1 1 76 76 TYR C C 13 175.59 0.1 . 1 . . . . 114 . . . 5409 1 288 . 1 1 76 76 TYR CA C 13 58.66 0.1 . 1 . . . . 114 . . . 5409 1 289 . 1 1 76 76 TYR CB C 13 36.67 0.1 . 1 . . . . 114 . . . 5409 1 290 . 1 1 76 76 TYR N N 15 117.34 0.1 . 1 . . . . 114 . . . 5409 1 291 . 1 1 76 76 TYR H H 1 7.79 0.02 . 1 . . . . 114 . . . 5409 1 292 . 1 1 77 77 THR C C 13 175.03 0.1 . 1 . . . . 115 . . . 5409 1 293 . 1 1 77 77 THR CA C 13 64.26 0.1 . 1 . . . . 115 . . . 5409 1 294 . 1 1 77 77 THR CB C 13 68.47 0.1 . 1 . . . . 115 . . . 5409 1 295 . 1 1 77 77 THR N N 15 114.96 0.1 . 1 . . . . 115 . . . 5409 1 296 . 1 1 77 77 THR H H 1 7.59 0.02 . 1 . . . . 115 . . . 5409 1 297 . 1 1 78 78 SER C C 13 173.49 0.1 . 1 . . . . 116 . . . 5409 1 298 . 1 1 78 78 SER CA C 13 59.12 0.1 . 1 . . . . 116 . . . 5409 1 299 . 1 1 78 78 SER CB C 13 63.57 0.1 . 1 . . . . 116 . . . 5409 1 300 . 1 1 78 78 SER N N 15 117.66 0.1 . 1 . . . . 116 . . . 5409 1 301 . 1 1 78 78 SER H H 1 7.30 0.02 . 1 . . . . 116 . . . 5409 1 302 . 1 1 79 79 VAL C C 13 174.08 0.1 . 1 . . . . 117 . . . 5409 1 303 . 1 1 79 79 VAL CA C 13 60.23 0.1 . 1 . . . . 117 . . . 5409 1 304 . 1 1 79 79 VAL CB C 13 32.61 0.1 . 1 . . . . 117 . . . 5409 1 305 . 1 1 79 79 VAL N N 15 124.79 0.1 . 1 . . . . 117 . . . 5409 1 306 . 1 1 79 79 VAL H H 1 7.68 0.02 . 1 . . . . 117 . . . 5409 1 307 . 1 1 80 80 THR C C 13 172.95 0.1 . 1 . . . . 118 . . . 5409 1 308 . 1 1 80 80 THR CA C 13 60.27 0.1 . 1 . . . . 118 . . . 5409 1 309 . 1 1 80 80 THR CB C 13 69.16 0.1 . 1 . . . . 118 . . . 5409 1 310 . 1 1 80 80 THR N N 15 122.99 0.1 . 1 . . . . 118 . . . 5409 1 311 . 1 1 80 80 THR H H 1 8.10 0.02 . 1 . . . . 118 . . . 5409 1 312 . 1 1 81 81 PRO C C 13 173.60 0.1 . 1 . . . . 119 . . . 5409 1 313 . 1 1 81 81 PRO CA C 13 61.81 0.1 . 1 . . . . 119 . . . 5409 1 314 . 1 1 81 81 PRO CB C 13 30.01 0.1 . 1 . . . . 119 . . . 5409 1 315 . 1 1 82 82 VAL C C 13 175.23 0.1 . 1 . . . . 120 . . . 5409 1 316 . 1 1 82 82 VAL CA C 13 59.12 0.1 . 1 . . . . 120 . . . 5409 1 317 . 1 1 82 82 VAL CB C 13 35.37 0.1 . 1 . . . . 120 . . . 5409 1 318 . 1 1 82 82 VAL N N 15 119.46 0.1 . 1 . . . . 120 . . . 5409 1 319 . 1 1 82 82 VAL H H 1 7.72 0.02 . 1 . . . . 120 . . . 5409 1 320 . 1 1 83 83 LEU C C 13 175.65 0.1 . 1 . . . . 121 . . . 5409 1 321 . 1 1 83 83 LEU CA C 13 53.38 0.1 . 1 . . . . 121 . . . 5409 1 322 . 1 1 83 83 LEU CB C 13 46.17 0.1 . 1 . . . . 121 . . . 5409 1 323 . 1 1 83 83 LEU N N 15 125.30 0.1 . 1 . . . . 121 . . . 5409 1 324 . 1 1 83 83 LEU H H 1 8.42 0.02 . 1 . . . . 121 . . . 5409 1 325 . 1 1 84 84 ARG C C 13 176.68 0.1 . 1 . . . . 122 . . . 5409 1 326 . 1 1 84 84 ARG CA C 13 55.98 0.1 . 1 . . . . 122 . . . 5409 1 327 . 1 1 84 84 ARG CB C 13 27.40 0.1 . 1 . . . . 122 . . . 5409 1 328 . 1 1 84 84 ARG N N 15 123.95 0.1 . 1 . . . . 122 . . . 5409 1 329 . 1 1 84 84 ARG H H 1 9.45 0.02 . 1 . . . . 122 . . . 5409 1 330 . 1 1 85 85 GLY C C 13 173.27 0.1 . 1 . . . . 123 . . . 5409 1 331 . 1 1 85 85 GLY CA C 13 44.87 0.1 . 1 . . . . 123 . . . 5409 1 332 . 1 1 85 85 GLY N N 15 103.99 0.1 . 1 . . . . 123 . . . 5409 1 333 . 1 1 85 85 GLY H H 1 8.34 0.02 . 1 . . . . 123 . . . 5409 1 334 . 1 1 86 86 GLN C C 13 172.27 0.1 . 1 . . . . 124 . . . 5409 1 335 . 1 1 86 86 GLN CA C 13 51.38 0.1 . 1 . . . . 124 . . . 5409 1 336 . 1 1 86 86 GLN CB C 13 29.93 0.1 . 1 . . . . 124 . . . 5409 1 337 . 1 1 86 86 GLN N N 15 123.31 0.1 . 1 . . . . 124 . . . 5409 1 338 . 1 1 86 86 GLN H H 1 7.96 0.02 . 1 . . . . 124 . . . 5409 1 339 . 1 1 87 87 PRO C C 13 176.27 0.1 . 1 . . . . 125 . . . 5409 1 340 . 1 1 87 87 PRO CA C 13 62.04 0.1 . 1 . . . . 125 . . . 5409 1 341 . 1 1 87 87 PRO CB C 13 31.54 0.1 . 1 . . . . 125 . . . 5409 1 342 . 1 1 88 88 ILE C C 13 173.62 0.1 . 1 . . . . 126 . . . 5409 1 343 . 1 1 88 88 ILE CA C 13 58.43 0.1 . 1 . . . . 126 . . . 5409 1 344 . 1 1 88 88 ILE CB C 13 39.12 0.1 . 1 . . . . 126 . . . 5409 1 345 . 1 1 88 88 ILE N N 15 118.82 0.1 . 1 . . . . 126 . . . 5409 1 346 . 1 1 88 88 ILE H H 1 7.72 0.02 . 1 . . . . 126 . . . 5409 1 347 . 1 1 89 89 TYR C C 13 174.14 0.1 . 1 . . . . 127 . . . 5409 1 348 . 1 1 89 89 TYR CA C 13 56.06 0.1 . 1 . . . . 127 . . . 5409 1 349 . 1 1 89 89 TYR CB C 13 40.50 0.1 . 1 . . . . 127 . . . 5409 1 350 . 1 1 89 89 TYR N N 15 120.23 0.1 . 1 . . . . 127 . . . 5409 1 351 . 1 1 89 89 TYR H H 1 7.68 0.02 . 1 . . . . 127 . . . 5409 1 352 . 1 1 90 90 ILE C C 13 173.44 0.1 . 1 . . . . 128 . . . 5409 1 353 . 1 1 90 90 ILE CA C 13 59.66 0.1 . 1 . . . . 128 . . . 5409 1 354 . 1 1 90 90 ILE CB C 13 40.20 0.1 . 1 . . . . 128 . . . 5409 1 355 . 1 1 90 90 ILE N N 15 126.07 0.1 . 1 . . . . 128 . . . 5409 1 356 . 1 1 90 90 ILE H H 1 8.28 0.02 . 1 . . . . 128 . . . 5409 1 357 . 1 1 91 91 GLN C C 13 174.65 0.1 . 1 . . . . 129 . . . 5409 1 358 . 1 1 91 91 GLN CA C 13 53.45 0.1 . 1 . . . . 129 . . . 5409 1 359 . 1 1 91 91 GLN CB C 13 32.76 0.1 . 1 . . . . 129 . . . 5409 1 360 . 1 1 91 91 GLN N N 15 123.89 0.1 . 1 . . . . 129 . . . 5409 1 361 . 1 1 91 91 GLN H H 1 8.39 0.02 . 1 . . . . 129 . . . 5409 1 362 . 1 1 92 92 PHE C C 13 177.10 0.1 . 1 . . . . 130 . . . 5409 1 363 . 1 1 92 92 PHE CA C 13 60.04 0.1 . 1 . . . . 130 . . . 5409 1 364 . 1 1 92 92 PHE CB C 13 39.35 0.1 . 1 . . . . 130 . . . 5409 1 365 . 1 1 92 92 PHE N N 15 121.51 0.1 . 1 . . . . 130 . . . 5409 1 366 . 1 1 92 92 PHE H H 1 8.85 0.02 . 1 . . . . 130 . . . 5409 1 367 . 1 1 93 93 SER C C 13 174.95 0.1 . 1 . . . . 131 . . . 5409 1 368 . 1 1 93 93 SER CA C 13 56.60 0.1 . 1 . . . . 131 . . . 5409 1 369 . 1 1 93 93 SER CB C 13 63.95 0.1 . 1 . . . . 131 . . . 5409 1 370 . 1 1 93 93 SER N N 15 116.82 0.1 . 1 . . . . 131 . . . 5409 1 371 . 1 1 93 93 SER H H 1 8.79 0.02 . 1 . . . . 131 . . . 5409 1 372 . 1 1 94 94 ASN C C 13 175.16 0.1 . 1 . . . . 132 . . . 5409 1 373 . 1 1 94 94 ASN CA C 13 53.15 0.1 . 1 . . . . 132 . . . 5409 1 374 . 1 1 94 94 ASN CB C 13 37.97 0.1 . 1 . . . . 132 . . . 5409 1 375 . 1 1 94 94 ASN N N 15 123.38 0.1 . 1 . . . . 132 . . . 5409 1 376 . 1 1 94 94 ASN H H 1 8.75 0.02 . 1 . . . . 132 . . . 5409 1 377 . 1 1 95 95 HIS CA C 13 55.91 0.1 . 1 . . . . 133 . . . 5409 1 378 . 1 1 95 95 HIS CB C 13 30.24 0.1 . 1 . . . . 133 . . . 5409 1 379 . 1 1 95 95 HIS N N 15 120.30 0.1 . 1 . . . . 133 . . . 5409 1 380 . 1 1 95 95 HIS H H 1 8.28 0.02 . 1 . . . . 133 . . . 5409 1 381 . 1 1 96 96 LYS C C 13 176.01 0.1 . 1 . . . . 134 . . . 5409 1 382 . 1 1 96 96 LYS CA C 13 56.44 0.1 . 1 . . . . 134 . . . 5409 1 383 . 1 1 96 96 LYS CB C 13 32.38 0.1 . 1 . . . . 134 . . . 5409 1 384 . 1 1 96 96 LYS N N 15 123.44 0.1 . 1 . . . . 134 . . . 5409 1 385 . 1 1 96 96 LYS H H 1 8.49 0.02 . 1 . . . . 134 . . . 5409 1 386 . 1 1 97 97 GLU C C 13 175.21 0.1 . 1 . . . . 135 . . . 5409 1 387 . 1 1 97 97 GLU CA C 13 54.99 0.1 . 1 . . . . 135 . . . 5409 1 388 . 1 1 97 97 GLU CB C 13 30.47 0.1 . 1 . . . . 135 . . . 5409 1 389 . 1 1 97 97 GLU N N 15 119.07 0.1 . 1 . . . . 135 . . . 5409 1 390 . 1 1 97 97 GLU H H 1 7.89 0.02 . 1 . . . . 135 . . . 5409 1 391 . 1 1 98 98 LEU C C 13 176.06 0.1 . 1 . . . . 136 . . . 5409 1 392 . 1 1 98 98 LEU CA C 13 53.91 0.1 . 1 . . . . 136 . . . 5409 1 393 . 1 1 98 98 LEU CB C 13 41.65 0.1 . 1 . . . . 136 . . . 5409 1 394 . 1 1 98 98 LEU N N 15 124.15 0.1 . 1 . . . . 136 . . . 5409 1 395 . 1 1 98 98 LEU H H 1 8.40 0.02 . 1 . . . . 136 . . . 5409 1 396 . 1 1 99 99 LYS C C 13 176.23 0.1 . 1 . . . . 137 . . . 5409 1 397 . 1 1 99 99 LYS CA C 13 55.14 0.1 . 1 . . . . 137 . . . 5409 1 398 . 1 1 99 99 LYS CB C 13 32.46 0.1 . 1 . . . . 137 . . . 5409 1 399 . 1 1 99 99 LYS N N 15 124.15 0.1 . 1 . . . . 137 . . . 5409 1 400 . 1 1 99 99 LYS H H 1 8.07 0.02 . 1 . . . . 137 . . . 5409 1 401 . 1 1 100 100 THR C C 13 174.15 0.1 . 1 . . . . 138 . . . 5409 1 402 . 1 1 100 100 THR CA C 13 60.81 0.1 . 1 . . . . 138 . . . 5409 1 403 . 1 1 100 100 THR CB C 13 68.93 0.1 . 1 . . . . 138 . . . 5409 1 404 . 1 1 100 100 THR N N 15 116.89 0.1 . 1 . . . . 138 . . . 5409 1 405 . 1 1 100 100 THR H H 1 8.17 0.02 . 1 . . . . 138 . . . 5409 1 406 . 1 1 101 101 ASP C C 13 175.94 0.1 . 1 . . . . 139 . . . 5409 1 407 . 1 1 101 101 ASP CA C 13 53.61 0.1 . 1 . . . . 139 . . . 5409 1 408 . 1 1 101 101 ASP CB C 13 40.58 0.1 . 1 . . . . 139 . . . 5409 1 409 . 1 1 101 101 ASP N N 15 124.08 0.1 . 1 . . . . 139 . . . 5409 1 410 . 1 1 101 101 ASP H H 1 8.33 0.02 . 1 . . . . 139 . . . 5409 1 411 . 1 1 102 102 SER C C 13 174.14 0.1 . 1 . . . . 140 . . . 5409 1 412 . 1 1 102 102 SER CA C 13 57.59 0.1 . 1 . . . . 140 . . . 5409 1 413 . 1 1 102 102 SER CB C 13 63.11 0.1 . 1 . . . . 140 . . . 5409 1 414 . 1 1 102 102 SER N N 15 117.60 0.1 . 1 . . . . 140 . . . 5409 1 415 . 1 1 102 102 SER H H 1 8.18 0.02 . 1 . . . . 140 . . . 5409 1 416 . 1 1 103 103 SER C C 13 175.20 0.1 . 1 . . . . 141 . . . 5409 1 417 . 1 1 103 103 SER CA C 13 56.14 0.1 . 1 . . . . 141 . . . 5409 1 418 . 1 1 103 103 SER CB C 13 62.73 0.1 . 1 . . . . 141 . . . 5409 1 419 . 1 1 103 103 SER N N 15 120.87 0.1 . 1 . . . . 141 . . . 5409 1 420 . 1 1 103 103 SER H H 1 8.28 0.02 . 1 . . . . 141 . . . 5409 1 421 . 1 1 104 104 PRO C C 13 176.69 0.1 . 1 . . . . 142 . . . 5409 1 422 . 1 1 104 104 PRO CA C 13 62.73 0.1 . 1 . . . . 142 . . . 5409 1 423 . 1 1 104 104 PRO CB C 13 31.38 0.1 . 1 . . . . 142 . . . 5409 1 424 . 1 1 105 105 ASN C C 13 175.04 0.1 . 1 . . . . 143 . . . 5409 1 425 . 1 1 105 105 ASN CA C 13 52.84 0.1 . 1 . . . . 143 . . . 5409 1 426 . 1 1 105 105 ASN CB C 13 37.90 0.1 . 1 . . . . 143 . . . 5409 1 427 . 1 1 105 105 ASN N N 15 119.65 0.1 . 1 . . . . 143 . . . 5409 1 428 . 1 1 105 105 ASN H H 1 8.36 0.02 . 1 . . . . 143 . . . 5409 1 429 . 1 1 106 106 GLN C C 13 175.35 0.1 . 1 . . . . 144 . . . 5409 1 430 . 1 1 106 106 GLN CA C 13 55.37 0.1 . 1 . . . . 144 . . . 5409 1 431 . 1 1 106 106 GLN CB C 13 28.93 0.1 . 1 . . . . 144 . . . 5409 1 432 . 1 1 106 106 GLN N N 15 122.16 0.1 . 1 . . . . 144 . . . 5409 1 433 . 1 1 106 106 GLN H H 1 8.16 0.02 . 1 . . . . 144 . . . 5409 1 434 . 1 1 107 107 ALA C C 13 177.32 0.1 . 1 . . . . 145 . . . 5409 1 435 . 1 1 107 107 ALA CA C 13 51.92 0.1 . 1 . . . . 145 . . . 5409 1 436 . 1 1 107 107 ALA CB C 13 18.89 0.1 . 1 . . . . 145 . . . 5409 1 437 . 1 1 107 107 ALA N N 15 126.78 0.1 . 1 . . . . 145 . . . 5409 1 438 . 1 1 107 107 ALA H H 1 8.24 0.02 . 1 . . . . 145 . . . 5409 1 439 . 1 1 108 108 ARG C C 13 174.82 0.1 . 1 . . . . 146 . . . 5409 1 440 . 1 1 108 108 ARG CA C 13 55.29 0.1 . 1 . . . . 146 . . . 5409 1 441 . 1 1 108 108 ARG CB C 13 30.39 0.1 . 1 . . . . 146 . . . 5409 1 442 . 1 1 108 108 ARG N N 15 122.41 0.1 . 1 . . . . 146 . . . 5409 1 443 . 1 1 108 108 ARG H H 1 8.19 0.02 . 1 . . . . 146 . . . 5409 1 444 . 1 1 140 140 ALA C C 13 178.45 0.1 . 1 . . . . 178 . . . 5409 1 445 . 1 1 140 140 ALA CA C 13 52.54 0.1 . 1 . . . . 178 . . . 5409 1 446 . 1 1 140 140 ALA CB C 13 18.40 0.1 . 1 . . . . 178 . . . 5409 1 447 . 1 1 141 141 GLY C C 13 173.92 0.1 . 1 . . . . 179 . . . 5409 1 448 . 1 1 141 141 GLY CA C 13 44.96 0.1 . 1 . . . . 179 . . . 5409 1 449 . 1 1 141 141 GLY N N 15 109.96 0.1 . 1 . . . . 179 . . . 5409 1 450 . 1 1 141 141 GLY H H 1 8.15 0.02 . 1 . . . . 179 . . . 5409 1 451 . 1 1 142 142 GLN C C 13 175.21 0.1 . 1 . . . . 180 . . . 5409 1 452 . 1 1 142 142 GLN CA C 13 55.26 0.1 . 1 . . . . 180 . . . 5409 1 453 . 1 1 142 142 GLN CB C 13 28.86 0.1 . 1 . . . . 180 . . . 5409 1 454 . 1 1 142 142 GLN N N 15 119.94 0.1 . 1 . . . . 180 . . . 5409 1 455 . 1 1 142 142 GLN H H 1 7.62 0.02 . 1 . . . . 180 . . . 5409 1 456 . 1 1 143 143 SER C C 13 173.83 0.1 . 1 . . . . 181 . . . 5409 1 457 . 1 1 143 143 SER CA C 13 54.38 0.1 . 1 . . . . 181 . . . 5409 1 458 . 1 1 143 143 SER CB C 13 65.54 0.1 . 1 . . . . 181 . . . 5409 1 459 . 1 1 143 143 SER N N 15 117.92 0.1 . 1 . . . . 181 . . . 5409 1 460 . 1 1 143 143 SER H H 1 7.56 0.02 . 1 . . . . 181 . . . 5409 1 461 . 1 1 144 144 PRO CA C 13 62.05 0.1 . 1 . . . . 182 . . . 5409 1 462 . 1 1 145 145 VAL C C 13 175.41 0.1 . 1 . . . . 183 . . . 5409 1 463 . 1 1 145 145 VAL CA C 13 60.34 0.1 . 1 . . . . 183 . . . 5409 1 464 . 1 1 145 145 VAL CB C 13 31.17 0.1 . 1 . . . . 183 . . . 5409 1 465 . 1 1 145 145 VAL N N 15 122.41 0.1 . 1 . . . . 183 . . . 5409 1 466 . 1 1 145 145 VAL H H 1 8.39 0.02 . 1 . . . . 183 . . . 5409 1 467 . 1 1 146 146 LEU C C 13 175.61 0.1 . 1 . . . . 184 . . . 5409 1 468 . 1 1 146 146 LEU CA C 13 52.41 0.1 . 1 . . . . 184 . . . 5409 1 469 . 1 1 146 146 LEU CB C 13 44.38 0.1 . 1 . . . . 184 . . . 5409 1 470 . 1 1 146 146 LEU N N 15 126.32 0.1 . 1 . . . . 184 . . . 5409 1 471 . 1 1 146 146 LEU H H 1 9.09 0.02 . 1 . . . . 184 . . . 5409 1 472 . 1 1 147 147 ARG C C 13 175.03 0.1 . 1 . . . . 185 . . . 5409 1 473 . 1 1 147 147 ARG CA C 13 55.01 0.1 . 1 . . . . 185 . . . 5409 1 474 . 1 1 147 147 ARG CB C 13 30.72 0.1 . 1 . . . . 185 . . . 5409 1 475 . 1 1 147 147 ARG N N 15 123.04 0.1 . 1 . . . . 185 . . . 5409 1 476 . 1 1 147 147 ARG H H 1 8.97 0.02 . 1 . . . . 185 . . . 5409 1 477 . 1 1 148 148 ILE C C 13 174.64 0.1 . 1 . . . . 186 . . . 5409 1 478 . 1 1 148 148 ILE CA C 13 59.62 0.1 . 1 . . . . 186 . . . 5409 1 479 . 1 1 148 148 ILE CB C 13 40.99 0.1 . 1 . . . . 186 . . . 5409 1 480 . 1 1 148 148 ILE N N 15 129.90 0.1 . 1 . . . . 186 . . . 5409 1 481 . 1 1 148 148 ILE H H 1 9.38 0.02 . 1 . . . . 186 . . . 5409 1 482 . 1 1 149 149 ILE C C 13 175.09 0.1 . 1 . . . . 187 . . . 5409 1 483 . 1 1 149 149 ILE CA C 13 60.07 0.1 . 1 . . . . 187 . . . 5409 1 484 . 1 1 149 149 ILE CB C 13 40.43 0.1 . 1 . . . . 187 . . . 5409 1 485 . 1 1 149 149 ILE N N 15 128.99 0.1 . 1 . . . . 187 . . . 5409 1 486 . 1 1 149 149 ILE H H 1 9.15 0.02 . 1 . . . . 187 . . . 5409 1 487 . 1 1 150 150 VAL C C 13 175.50 0.1 . 1 . . . . 188 . . . 5409 1 488 . 1 1 150 150 VAL CA C 13 60.65 0.1 . 1 . . . . 188 . . . 5409 1 489 . 1 1 150 150 VAL CB C 13 31.39 0.1 . 1 . . . . 188 . . . 5409 1 490 . 1 1 150 150 VAL N N 15 125.56 0.1 . 1 . . . . 188 . . . 5409 1 491 . 1 1 150 150 VAL H H 1 7.96 0.02 . 1 . . . . 188 . . . 5409 1 492 . 1 1 151 151 GLU C C 13 177.18 0.1 . 1 . . . . 189 . . . 5409 1 493 . 1 1 151 151 GLU CA C 13 54.69 0.1 . 1 . . . . 189 . . . 5409 1 494 . 1 1 151 151 GLU CB C 13 31.91 0.1 . 1 . . . . 189 . . . 5409 1 495 . 1 1 151 151 GLU N N 15 127.34 0.1 . 1 . . . . 189 . . . 5409 1 496 . 1 1 151 151 GLU H H 1 9.04 0.02 . 1 . . . . 189 . . . 5409 1 497 . 1 1 152 152 ASN C C 13 176.05 0.1 . 1 . . . . 190 . . . 5409 1 498 . 1 1 152 152 ASN CA C 13 53.74 0.1 . 1 . . . . 190 . . . 5409 1 499 . 1 1 152 152 ASN CB C 13 35.87 0.1 . 1 . . . . 190 . . . 5409 1 500 . 1 1 152 152 ASN N N 15 120.00 0.1 . 1 . . . . 190 . . . 5409 1 501 . 1 1 152 152 ASN H H 1 8.98 0.02 . 1 . . . . 190 . . . 5409 1 502 . 1 1 153 153 LEU C C 13 176.61 0.1 . 1 . . . . 191 . . . 5409 1 503 . 1 1 153 153 LEU CA C 13 54.76 0.1 . 1 . . . . 191 . . . 5409 1 504 . 1 1 153 153 LEU CB C 13 40.01 0.1 . 1 . . . . 191 . . . 5409 1 505 . 1 1 153 153 LEU N N 15 125.08 0.1 . 1 . . . . 191 . . . 5409 1 506 . 1 1 153 153 LEU H H 1 8.30 0.02 . 1 . . . . 191 . . . 5409 1 507 . 1 1 154 154 PHE C C 13 174.79 0.1 . 1 . . . . 192 . . . 5409 1 508 . 1 1 154 154 PHE CA C 13 56.47 0.1 . 1 . . . . 192 . . . 5409 1 509 . 1 1 154 154 PHE CB C 13 38.16 0.1 . 1 . . . . 192 . . . 5409 1 510 . 1 1 154 154 PHE N N 15 127.27 0.1 . 1 . . . . 192 . . . 5409 1 511 . 1 1 154 154 PHE H H 1 7.81 0.02 . 1 . . . . 192 . . . 5409 1 512 . 1 1 155 155 TYR C C 13 172.44 0.1 . 1 . . . . 193 . . . 5409 1 513 . 1 1 155 155 TYR CA C 13 54.79 0.1 . 1 . . . . 193 . . . 5409 1 514 . 1 1 155 155 TYR CB C 13 40.09 0.1 . 1 . . . . 193 . . . 5409 1 515 . 1 1 155 155 TYR N N 15 119.18 0.1 . 1 . . . . 193 . . . 5409 1 516 . 1 1 155 155 TYR H H 1 7.20 0.02 . 1 . . . . 193 . . . 5409 1 517 . 1 1 156 156 PRO CA C 13 62.78 0.1 . 1 . . . . 194 . . . 5409 1 518 . 1 1 156 156 PRO CB C 13 31.39 0.1 . 1 . . . . 194 . . . 5409 1 519 . 1 1 157 157 VAL C C 13 174.37 0.1 . 1 . . . . 195 . . . 5409 1 520 . 1 1 157 157 VAL CA C 13 62.27 0.1 . 1 . . . . 195 . . . 5409 1 521 . 1 1 157 157 VAL CB C 13 32.65 0.1 . 1 . . . . 195 . . . 5409 1 522 . 1 1 157 157 VAL N N 15 123.54 0.1 . 1 . . . . 195 . . . 5409 1 523 . 1 1 157 157 VAL H H 1 7.92 0.02 . 1 . . . . 195 . . . 5409 1 524 . 1 1 158 158 THR C C 13 175.50 0.1 . 1 . . . . 196 . . . 5409 1 525 . 1 1 158 158 THR CA C 13 59.19 0.1 . 1 . . . . 196 . . . 5409 1 526 . 1 1 158 158 THR CB C 13 71.63 0.1 . 1 . . . . 196 . . . 5409 1 527 . 1 1 158 158 THR N N 15 114.64 0.1 . 1 . . . . 196 . . . 5409 1 528 . 1 1 158 158 THR H H 1 6.62 0.02 . 1 . . . . 196 . . . 5409 1 529 . 1 1 159 159 LEU C C 13 178.77 0.1 . 1 . . . . 197 . . . 5409 1 530 . 1 1 159 159 LEU CA C 13 59.29 0.1 . 1 . . . . 197 . . . 5409 1 531 . 1 1 159 159 LEU CB C 13 41.34 0.1 . 1 . . . . 197 . . . 5409 1 532 . 1 1 159 159 LEU N N 15 122.53 0.1 . 1 . . . . 197 . . . 5409 1 533 . 1 1 159 159 LEU H H 1 8.87 0.02 . 1 . . . . 197 . . . 5409 1 534 . 1 1 160 160 ASP C C 13 179.25 0.1 . 1 . . . . 198 . . . 5409 1 535 . 1 1 160 160 ASP CA C 13 57.32 0.1 . 1 . . . . 198 . . . 5409 1 536 . 1 1 160 160 ASP CB C 13 40.37 0.1 . 1 . . . . 198 . . . 5409 1 537 . 1 1 160 160 ASP N N 15 116.91 0.1 . 1 . . . . 198 . . . 5409 1 538 . 1 1 160 160 ASP H H 1 8.04 0.02 . 1 . . . . 198 . . . 5409 1 539 . 1 1 161 161 VAL C C 13 178.40 0.1 . 1 . . . . 199 . . . 5409 1 540 . 1 1 161 161 VAL CA C 13 66.14 0.1 . 1 . . . . 199 . . . 5409 1 541 . 1 1 161 161 VAL CB C 13 31.31 0.1 . 1 . . . . 199 . . . 5409 1 542 . 1 1 161 161 VAL N N 15 122.79 0.1 . 1 . . . . 199 . . . 5409 1 543 . 1 1 161 161 VAL H H 1 7.49 0.02 . 1 . . . . 199 . . . 5409 1 544 . 1 1 162 162 LEU C C 13 179.27 0.1 . 1 . . . . 200 . . . 5409 1 545 . 1 1 162 162 LEU CA C 13 57.86 0.1 . 1 . . . . 200 . . . 5409 1 546 . 1 1 162 162 LEU CB C 13 40.77 0.1 . 1 . . . . 200 . . . 5409 1 547 . 1 1 162 162 LEU N N 15 118.49 0.1 . 1 . . . . 200 . . . 5409 1 548 . 1 1 162 162 LEU H H 1 7.69 0.02 . 1 . . . . 200 . . . 5409 1 549 . 1 1 163 163 HIS C C 13 178.65 0.1 . 1 . . . . 201 . . . 5409 1 550 . 1 1 163 163 HIS CA C 13 62.11 0.1 . 1 . . . . 201 . . . 5409 1 551 . 1 1 163 163 HIS CB C 13 29.31 0.1 . 1 . . . . 201 . . . 5409 1 552 . 1 1 163 163 HIS N N 15 120.07 0.1 . 1 . . . . 201 . . . 5409 1 553 . 1 1 163 163 HIS H H 1 9.11 0.02 . 1 . . . . 201 . . . 5409 1 554 . 1 1 164 164 GLN C C 13 178.96 0.1 . 1 . . . . 202 . . . 5409 1 555 . 1 1 164 164 GLN CA C 13 59.48 0.1 . 1 . . . . 202 . . . 5409 1 556 . 1 1 164 164 GLN CB C 13 27.47 0.1 . 1 . . . . 202 . . . 5409 1 557 . 1 1 164 164 GLN N N 15 122.60 0.1 . 1 . . . . 202 . . . 5409 1 558 . 1 1 164 164 GLN H H 1 8.39 0.02 . 1 . . . . 202 . . . 5409 1 559 . 1 1 165 165 ILE C C 13 178.32 0.1 . 1 . . . . 203 . . . 5409 1 560 . 1 1 165 165 ILE CA C 13 64.46 0.1 . 1 . . . . 203 . . . 5409 1 561 . 1 1 165 165 ILE CB C 13 38.29 0.1 . 1 . . . . 203 . . . 5409 1 562 . 1 1 165 165 ILE N N 15 119.12 0.1 . 1 . . . . 203 . . . 5409 1 563 . 1 1 165 165 ILE H H 1 7.97 0.02 . 1 . . . . 203 . . . 5409 1 564 . 1 1 166 166 PHE C C 13 181.09 0.1 . 1 . . . . 204 . . . 5409 1 565 . 1 1 167 167 SER C C 13 174.17 0.1 . 1 . . . . 205 . . . 5409 1 566 . 1 1 167 167 SER CA C 13 61.73 0.1 . 1 . . . . 205 . . . 5409 1 567 . 1 1 167 167 SER CB C 13 60.84 0.1 . 1 . . . . 205 . . . 5409 1 568 . 1 1 167 167 SER N N 15 121.27 0.1 . 1 . . . . 205 . . . 5409 1 569 . 1 1 167 167 SER H H 1 8.38 0.02 . 1 . . . . 205 . . . 5409 1 570 . 1 1 168 168 LYS C C 13 177.14 0.1 . 1 . . . . 206 . . . 5409 1 571 . 1 1 168 168 LYS CA C 13 57.67 0.1 . 1 . . . . 206 . . . 5409 1 572 . 1 1 168 168 LYS CB C 13 30.94 0.1 . 1 . . . . 206 . . . 5409 1 573 . 1 1 168 168 LYS N N 15 120.01 0.1 . 1 . . . . 206 . . . 5409 1 574 . 1 1 168 168 LYS H H 1 6.71 0.02 . 1 . . . . 206 . . . 5409 1 575 . 1 1 169 169 PHE C C 13 175.05 0.1 . 1 . . . . 207 . . . 5409 1 576 . 1 1 169 169 PHE CA C 13 57.99 0.1 . 1 . . . . 207 . . . 5409 1 577 . 1 1 169 169 PHE CB C 13 39.93 0.1 . 1 . . . . 207 . . . 5409 1 578 . 1 1 169 169 PHE N N 15 113.81 0.1 . 1 . . . . 207 . . . 5409 1 579 . 1 1 169 169 PHE H H 1 7.03 0.02 . 1 . . . . 207 . . . 5409 1 580 . 1 1 170 170 GLY C C 13 171.39 0.1 . 1 . . . . 208 . . . 5409 1 581 . 1 1 170 170 GLY CA C 13 44.80 0.1 . 1 . . . . 208 . . . 5409 1 582 . 1 1 170 170 GLY N N 15 107.50 0.1 . 1 . . . . 208 . . . 5409 1 583 . 1 1 170 170 GLY H H 1 7.32 0.02 . 1 . . . . 208 . . . 5409 1 584 . 1 1 171 171 THR C C 13 174.06 0.1 . 1 . . . . 209 . . . 5409 1 585 . 1 1 171 171 THR CA C 13 63.06 0.1 . 1 . . . . 209 . . . 5409 1 586 . 1 1 171 171 THR CB C 13 69.18 0.1 . 1 . . . . 209 . . . 5409 1 587 . 1 1 171 171 THR N N 15 117.48 0.1 . 1 . . . . 209 . . . 5409 1 588 . 1 1 171 171 THR H H 1 8.72 0.02 . 1 . . . . 209 . . . 5409 1 589 . 1 1 172 172 VAL C C 13 175.30 0.1 . 1 . . . . 210 . . . 5409 1 590 . 1 1 172 172 VAL CA C 13 62.43 0.1 . 1 . . . . 210 . . . 5409 1 591 . 1 1 172 172 VAL CB C 13 31.17 0.1 . 1 . . . . 210 . . . 5409 1 592 . 1 1 172 172 VAL N N 15 131.76 0.1 . 1 . . . . 210 . . . 5409 1 593 . 1 1 172 172 VAL H H 1 9.01 0.02 . 1 . . . . 210 . . . 5409 1 594 . 1 1 173 173 LEU C C 13 177.30 0.1 . 1 . . . . 211 . . . 5409 1 595 . 1 1 173 173 LEU CA C 13 56.56 0.1 . 1 . . . . 211 . . . 5409 1 596 . 1 1 173 173 LEU CB C 13 42.67 0.1 . 1 . . . . 211 . . . 5409 1 597 . 1 1 173 173 LEU N N 15 127.27 0.1 . 1 . . . . 211 . . . 5409 1 598 . 1 1 173 173 LEU H H 1 9.12 0.02 . 1 . . . . 211 . . . 5409 1 599 . 1 1 174 174 LYS C C 13 175.01 0.1 . 1 . . . . 212 . . . 5409 1 600 . 1 1 174 174 LYS CA C 13 54.69 0.1 . 1 . . . . 212 . . . 5409 1 601 . 1 1 174 174 LYS CB C 13 39.19 0.1 . 1 . . . . 212 . . . 5409 1 602 . 1 1 174 174 LYS N N 15 114.45 0.1 . 1 . . . . 212 . . . 5409 1 603 . 1 1 174 174 LYS H H 1 7.14 0.02 . 1 . . . . 212 . . . 5409 1 604 . 1 1 175 175 ILE CA C 13 60.81 0.1 . 1 . . . . 213 . . . 5409 1 605 . 1 1 175 175 ILE CB C 13 42.38 0.1 . 1 . . . . 213 . . . 5409 1 606 . 1 1 175 175 ILE N N 15 120.45 0.1 . 1 . . . . 213 . . . 5409 1 607 . 1 1 175 175 ILE H H 1 8.75 0.02 . 1 . . . . 213 . . . 5409 1 608 . 1 1 176 176 ILE C C 13 174.99 0.1 . 1 . . . . 214 . . . 5409 1 609 . 1 1 176 176 ILE CA C 13 61.00 0.1 . 1 . . . . 214 . . . 5409 1 610 . 1 1 176 176 ILE CB C 13 42.15 0.1 . 1 . . . . 214 . . . 5409 1 611 . 1 1 177 177 THR C C 13 173.12 0.1 . 1 . . . . 215 . . . 5409 1 612 . 1 1 177 177 THR CA C 13 59.45 0.1 . 1 . . . . 215 . . . 5409 1 613 . 1 1 177 177 THR CB C 13 71.41 0.1 . 1 . . . . 215 . . . 5409 1 614 . 1 1 177 177 THR N N 15 117.42 0.1 . 1 . . . . 215 . . . 5409 1 615 . 1 1 177 177 THR H H 1 8.52 0.02 . 1 . . . . 215 . . . 5409 1 616 . 1 1 178 178 PHE C C 13 173.26 0.1 . 1 . . . . 216 . . . 5409 1 617 . 1 1 178 178 PHE CA C 13 56.56 0.1 . 1 . . . . 216 . . . 5409 1 618 . 1 1 178 178 PHE CB C 13 38.89 0.1 . 1 . . . . 216 . . . 5409 1 619 . 1 1 178 178 PHE N N 15 117.42 0.1 . 1 . . . . 216 . . . 5409 1 620 . 1 1 178 178 PHE H H 1 8.32 0.02 . 1 . . . . 216 . . . 5409 1 621 . 1 1 179 179 THR C C 13 174.63 0.1 . 1 . . . . 217 . . . 5409 1 622 . 1 1 179 179 THR CA C 13 60.94 0.1 . 1 . . . . 217 . . . 5409 1 623 . 1 1 179 179 THR CB C 13 70.07 0.1 . 1 . . . . 217 . . . 5409 1 624 . 1 1 179 179 THR N N 15 115.65 0.1 . 1 . . . . 217 . . . 5409 1 625 . 1 1 179 179 THR H H 1 8.37 0.02 . 1 . . . . 217 . . . 5409 1 626 . 1 1 180 180 LYS CA C 13 55.58 0.1 . 1 . . . . 218 . . . 5409 1 627 . 1 1 180 180 LYS CB C 13 34.80 0.1 . 1 . . . . 218 . . . 5409 1 628 . 1 1 180 180 LYS N N 15 127.52 0.1 . 1 . . . . 218 . . . 5409 1 629 . 1 1 180 180 LYS H H 1 8.34 0.02 . 1 . . . . 218 . . . 5409 1 630 . 1 1 181 181 ASN C C 13 174.94 0.1 . 1 . . . . 219 . . . 5409 1 631 . 1 1 181 181 ASN CA C 13 54.66 0.1 . 1 . . . . 219 . . . 5409 1 632 . 1 1 181 181 ASN CB C 13 36.81 0.1 . 1 . . . . 219 . . . 5409 1 633 . 1 1 182 182 ASN C C 13 174.12 0.1 . 1 . . . . 220 . . . 5409 1 634 . 1 1 182 182 ASN CA C 13 54.57 0.1 . 1 . . . . 220 . . . 5409 1 635 . 1 1 182 182 ASN CB C 13 37.55 0.1 . 1 . . . . 220 . . . 5409 1 636 . 1 1 182 182 ASN N N 15 111.60 0.1 . 1 . . . . 220 . . . 5409 1 637 . 1 1 182 182 ASN H H 1 8.83 0.02 . 1 . . . . 220 . . . 5409 1 638 . 1 1 183 183 GLN C C 13 174.72 0.1 . 1 . . . . 221 . . . 5409 1 639 . 1 1 183 183 GLN CA C 13 54.34 0.1 . 1 . . . . 221 . . . 5409 1 640 . 1 1 183 183 GLN CB C 13 31.31 0.1 . 1 . . . . 221 . . . 5409 1 641 . 1 1 183 183 GLN N N 15 119.31 0.1 . 1 . . . . 221 . . . 5409 1 642 . 1 1 183 183 GLN H H 1 7.75 0.02 . 1 . . . . 221 . . . 5409 1 643 . 1 1 184 184 PHE C C 13 174.72 0.1 . 1 . . . . 222 . . . 5409 1 644 . 1 1 184 184 PHE CA C 13 58.62 0.1 . 1 . . . . 222 . . . 5409 1 645 . 1 1 184 184 PHE CB C 13 40.15 0.1 . 1 . . . . 222 . . . 5409 1 646 . 1 1 184 184 PHE N N 15 128.98 0.1 . 1 . . . . 222 . . . 5409 1 647 . 1 1 184 184 PHE H H 1 8.96 0.02 . 1 . . . . 222 . . . 5409 1 648 . 1 1 185 185 GLN C C 13 172.81 0.1 . 1 . . . . 223 . . . 5409 1 649 . 1 1 185 185 GLN CA C 13 53.20 0.1 . 1 . . . . 223 . . . 5409 1 650 . 1 1 185 185 GLN CB C 13 32.35 0.1 . 1 . . . . 223 . . . 5409 1 651 . 1 1 185 185 GLN N N 15 127.59 0.1 . 1 . . . . 223 . . . 5409 1 652 . 1 1 185 185 GLN H H 1 8.08 0.02 . 1 . . . . 223 . . . 5409 1 653 . 1 1 186 186 ALA C C 13 175.99 0.1 . 1 . . . . 224 . . . 5409 1 654 . 1 1 186 186 ALA CA C 13 49.46 0.1 . 1 . . . . 224 . . . 5409 1 655 . 1 1 186 186 ALA CB C 13 22.48 0.1 . 1 . . . . 224 . . . 5409 1 656 . 1 1 186 186 ALA N N 15 120.01 0.1 . 1 . . . . 224 . . . 5409 1 657 . 1 1 186 186 ALA H H 1 8.98 0.02 . 1 . . . . 224 . . . 5409 1 658 . 1 1 187 187 LEU C C 13 175.10 0.1 . 1 . . . . 225 . . . 5409 1 659 . 1 1 187 187 LEU CA C 13 52.98 0.1 . 1 . . . . 225 . . . 5409 1 660 . 1 1 187 187 LEU CB C 13 44.90 0.1 . 1 . . . . 225 . . . 5409 1 661 . 1 1 187 187 LEU N N 15 122.15 0.1 . 1 . . . . 225 . . . 5409 1 662 . 1 1 187 187 LEU H H 1 9.01 0.02 . 1 . . . . 225 . . . 5409 1 663 . 1 1 188 188 LEU C C 13 173.46 0.1 . 1 . . . . 226 . . . 5409 1 664 . 1 1 188 188 LEU CA C 13 54.15 0.1 . 1 . . . . 226 . . . 5409 1 665 . 1 1 188 188 LEU CB C 13 45.37 0.1 . 1 . . . . 226 . . . 5409 1 666 . 1 1 188 188 LEU N N 15 125.19 0.1 . 1 . . . . 226 . . . 5409 1 667 . 1 1 188 188 LEU H H 1 8.48 0.02 . 1 . . . . 226 . . . 5409 1 668 . 1 1 189 189 GLN CA C 13 54.00 0.1 . 1 . . . . 227 . . . 5409 1 669 . 1 1 189 189 GLN CB C 13 31.02 0.1 . 1 . . . . 227 . . . 5409 1 670 . 1 1 189 189 GLN N N 15 127.90 0.1 . 1 . . . . 227 . . . 5409 1 671 . 1 1 189 189 GLN H H 1 8.84 0.02 . 1 . . . . 227 . . . 5409 1 672 . 1 1 190 190 TYR C C 13 175.61 0.1 . 1 . . . . 228 . . . 5409 1 673 . 1 1 190 190 TYR CA C 13 58.66 0.1 . 1 . . . . 228 . . . 5409 1 674 . 1 1 190 190 TYR CB C 13 41.56 0.1 . 1 . . . . 228 . . . 5409 1 675 . 1 1 190 190 TYR N N 15 128.47 0.1 . 1 . . . . 228 . . . 5409 1 676 . 1 1 190 190 TYR H H 1 8.86 0.02 . 1 . . . . 228 . . . 5409 1 677 . 1 1 191 191 ALA CA C 13 54.03 0.1 . 1 . . . . 229 . . . 5409 1 678 . 1 1 191 191 ALA CB C 13 18.40 0.1 . 1 . . . . 229 . . . 5409 1 679 . 1 1 191 191 ALA N N 15 120.45 0.1 . 1 . . . . 229 . . . 5409 1 680 . 1 1 191 191 ALA H H 1 8.26 0.02 . 1 . . . . 229 . . . 5409 1 681 . 1 1 192 192 ASP CA C 13 50.51 0.1 . 1 . . . . 230 . . . 5409 1 682 . 1 1 192 192 ASP CB C 13 43.86 0.1 . 1 . . . . 230 . . . 5409 1 683 . 1 1 192 192 ASP N N 15 116.72 0.1 . 1 . . . . 230 . . . 5409 1 684 . 1 1 192 192 ASP H H 1 7.72 0.02 . 1 . . . . 230 . . . 5409 1 685 . 1 1 193 193 PRO C C 13 178.63 0.1 . 1 . . . . 231 . . . 5409 1 686 . 1 1 193 193 PRO CA C 13 64.77 0.1 . 1 . . . . 231 . . . 5409 1 687 . 1 1 193 193 PRO CB C 13 31.76 0.1 . 1 . . . . 231 . . . 5409 1 688 . 1 1 194 194 VAL C C 13 178.72 0.1 . 1 . . . . 232 . . . 5409 1 689 . 1 1 194 194 VAL CA C 13 65.91 0.1 . 1 . . . . 232 . . . 5409 1 690 . 1 1 194 194 VAL CB C 13 30.28 0.1 . 1 . . . . 232 . . . 5409 1 691 . 1 1 194 194 VAL N N 15 122.28 0.1 . 1 . . . . 232 . . . 5409 1 692 . 1 1 194 194 VAL H H 1 8.47 0.02 . 1 . . . . 232 . . . 5409 1 693 . 1 1 195 195 SER C C 13 174.99 0.1 . 1 . . . . 233 . . . 5409 1 694 . 1 1 195 195 SER CA C 13 61.89 0.1 . 1 . . . . 233 . . . 5409 1 695 . 1 1 195 195 SER CB C 13 65.57 0.1 . 1 . . . . 233 . . . 5409 1 696 . 1 1 195 195 SER N N 15 118.62 0.1 . 1 . . . . 233 . . . 5409 1 697 . 1 1 195 195 SER H H 1 7.62 0.02 . 1 . . . . 233 . . . 5409 1 698 . 1 1 196 196 ALA C C 13 178.80 0.1 . 1 . . . . 234 . . . 5409 1 699 . 1 1 196 196 ALA CA C 13 54.92 0.1 . 1 . . . . 234 . . . 5409 1 700 . 1 1 196 196 ALA CB C 13 17.43 0.1 . 1 . . . . 234 . . . 5409 1 701 . 1 1 196 196 ALA N N 15 121.78 0.1 . 1 . . . . 234 . . . 5409 1 702 . 1 1 196 196 ALA H H 1 6.41 0.02 . 1 . . . . 234 . . . 5409 1 703 . 1 1 197 197 GLN C C 13 178.49 0.1 . 1 . . . . 235 . . . 5409 1 704 . 1 1 197 197 GLN CA C 13 59.13 0.1 . 1 . . . . 235 . . . 5409 1 705 . 1 1 197 197 GLN CB C 13 27.68 0.1 . 1 . . . . 235 . . . 5409 1 706 . 1 1 197 197 GLN N N 15 118.49 0.1 . 1 . . . . 235 . . . 5409 1 707 . 1 1 197 197 GLN H H 1 7.68 0.02 . 1 . . . . 235 . . . 5409 1 708 . 1 1 198 198 HIS C C 13 177.63 0.1 . 1 . . . . 236 . . . 5409 1 709 . 1 1 198 198 HIS CA C 13 57.42 0.1 . 1 . . . . 236 . . . 5409 1 710 . 1 1 198 198 HIS CB C 13 28.94 0.1 . 1 . . . . 236 . . . 5409 1 711 . 1 1 198 198 HIS N N 15 118.74 0.1 . 1 . . . . 236 . . . 5409 1 712 . 1 1 198 198 HIS H H 1 8.12 0.02 . 1 . . . . 236 . . . 5409 1 713 . 1 1 199 199 ALA C C 13 178.96 0.1 . 1 . . . . 237 . . . 5409 1 714 . 1 1 199 199 ALA CA C 13 54.66 0.1 . 1 . . . . 237 . . . 5409 1 715 . 1 1 199 199 ALA CB C 13 18.99 0.1 . 1 . . . . 237 . . . 5409 1 716 . 1 1 199 199 ALA N N 15 123.92 0.1 . 1 . . . . 237 . . . 5409 1 717 . 1 1 199 199 ALA H H 1 8.29 0.02 . 1 . . . . 237 . . . 5409 1 718 . 1 1 200 200 LYS C C 13 178.27 0.1 . 1 . . . . 238 . . . 5409 1 719 . 1 1 200 200 LYS CA C 13 60.34 0.1 . 1 . . . . 238 . . . 5409 1 720 . 1 1 200 200 LYS CB C 13 31.91 0.1 . 1 . . . . 238 . . . 5409 1 721 . 1 1 200 200 LYS N N 15 118.62 0.1 . 1 . . . . 238 . . . 5409 1 722 . 1 1 200 200 LYS H H 1 7.96 0.02 . 1 . . . . 238 . . . 5409 1 723 . 1 1 201 201 LEU C C 13 180.18 0.1 . 1 . . . . 239 . . . 5409 1 724 . 1 1 201 201 LEU CA C 13 57.23 0.1 . 1 . . . . 239 . . . 5409 1 725 . 1 1 201 201 LEU CB C 13 41.41 0.1 . 1 . . . . 239 . . . 5409 1 726 . 1 1 201 201 LEU N N 15 117.10 0.1 . 1 . . . . 239 . . . 5409 1 727 . 1 1 201 201 LEU H H 1 7.74 0.02 . 1 . . . . 239 . . . 5409 1 728 . 1 1 202 202 SER C C 13 176.01 0.1 . 1 . . . . 240 . . . 5409 1 729 . 1 1 202 202 SER CA C 13 61.35 0.1 . 1 . . . . 240 . . . 5409 1 730 . 1 1 202 202 SER CB C 13 64.28 0.1 . 1 . . . . 240 . . . 5409 1 731 . 1 1 202 202 SER N N 15 113.18 0.1 . 1 . . . . 240 . . . 5409 1 732 . 1 1 202 202 SER H H 1 7.58 0.02 . 1 . . . . 240 . . . 5409 1 733 . 1 1 203 203 LEU C C 13 177.38 0.1 . 1 . . . . 241 . . . 5409 1 734 . 1 1 203 203 LEU CA C 13 54.76 0.1 . 1 . . . . 241 . . . 5409 1 735 . 1 1 203 203 LEU CB C 13 42.75 0.1 . 1 . . . . 241 . . . 5409 1 736 . 1 1 203 203 LEU N N 15 117.98 0.1 . 1 . . . . 241 . . . 5409 1 737 . 1 1 203 203 LEU H H 1 8.00 0.02 . 1 . . . . 241 . . . 5409 1 738 . 1 1 204 204 ASP C C 13 178.29 0.1 . 1 . . . . 242 . . . 5409 1 739 . 1 1 204 204 ASP CA C 13 57.42 0.1 . 1 . . . . 242 . . . 5409 1 740 . 1 1 204 204 ASP CB C 13 41.19 0.1 . 1 . . . . 242 . . . 5409 1 741 . 1 1 204 204 ASP N N 15 120.01 0.1 . 1 . . . . 242 . . . 5409 1 742 . 1 1 204 204 ASP H H 1 7.45 0.02 . 1 . . . . 242 . . . 5409 1 743 . 1 1 205 205 GLY C C 13 174.41 0.1 . 1 . . . . 243 . . . 5409 1 744 . 1 1 205 205 GLY CA C 13 45.50 0.1 . 1 . . . . 243 . . . 5409 1 745 . 1 1 205 205 GLY N N 15 117.79 0.1 . 1 . . . . 243 . . . 5409 1 746 . 1 1 205 205 GLY H H 1 9.11 0.02 . 1 . . . . 243 . . . 5409 1 747 . 1 1 206 206 GLN C C 13 175.14 0.1 . 1 . . . . 244 . . . 5409 1 748 . 1 1 206 206 GLN CA C 13 54.47 0.1 . 1 . . . . 244 . . . 5409 1 749 . 1 1 206 206 GLN CB C 13 28.49 0.1 . 1 . . . . 244 . . . 5409 1 750 . 1 1 206 206 GLN N N 15 120.32 0.1 . 1 . . . . 244 . . . 5409 1 751 . 1 1 206 206 GLN H H 1 8.06 0.02 . 1 . . . . 244 . . . 5409 1 752 . 1 1 207 207 ASN C C 13 177.47 0.1 . 1 . . . . 245 . . . 5409 1 753 . 1 1 207 207 ASN CA C 13 52.16 0.1 . 1 . . . . 245 . . . 5409 1 754 . 1 1 207 207 ASN CB C 13 38.81 0.1 . 1 . . . . 245 . . . 5409 1 755 . 1 1 207 207 ASN N N 15 121.08 0.1 . 1 . . . . 245 . . . 5409 1 756 . 1 1 207 207 ASN H H 1 8.45 0.02 . 1 . . . . 245 . . . 5409 1 757 . 1 1 208 208 ILE C C 13 175.96 0.1 . 1 . . . . 246 . . . 5409 1 758 . 1 1 208 208 ILE CA C 13 64.17 0.1 . 1 . . . . 246 . . . 5409 1 759 . 1 1 208 208 ILE CB C 13 38.37 0.1 . 1 . . . . 246 . . . 5409 1 760 . 1 1 208 208 ILE N N 15 123.61 0.1 . 1 . . . . 246 . . . 5409 1 761 . 1 1 208 208 ILE H H 1 8.85 0.02 . 1 . . . . 246 . . . 5409 1 762 . 1 1 209 209 TYR C C 13 175.25 0.1 . 1 . . . . 247 . . . 5409 1 763 . 1 1 209 209 TYR CA C 13 55.39 0.1 . 1 . . . . 247 . . . 5409 1 764 . 1 1 209 209 TYR CB C 13 40.16 0.1 . 1 . . . . 247 . . . 5409 1 765 . 1 1 209 209 TYR N N 15 116.78 0.1 . 1 . . . . 247 . . . 5409 1 766 . 1 1 209 209 TYR H H 1 7.10 0.02 . 1 . . . . 247 . . . 5409 1 767 . 1 1 210 210 ASN C C 13 175.83 0.1 . 1 . . . . 248 . . . 5409 1 768 . 1 1 210 210 ASN CA C 13 55.80 0.1 . 1 . . . . 248 . . . 5409 1 769 . 1 1 210 210 ASN CB C 13 37.85 0.1 . 1 . . . . 248 . . . 5409 1 770 . 1 1 210 210 ASN N N 15 118.74 0.1 . 1 . . . . 248 . . . 5409 1 771 . 1 1 210 210 ASN H H 1 8.42 0.02 . 1 . . . . 248 . . . 5409 1 772 . 1 1 211 211 ALA C C 13 176.30 0.1 . 1 . . . . 249 . . . 5409 1 773 . 1 1 211 211 ALA CA C 13 52.60 0.1 . 1 . . . . 249 . . . 5409 1 774 . 1 1 211 211 ALA CB C 13 17.88 0.1 . 1 . . . . 249 . . . 5409 1 775 . 1 1 211 211 ALA N N 15 124.93 0.1 . 1 . . . . 249 . . . 5409 1 776 . 1 1 211 211 ALA H H 1 8.81 0.02 . 1 . . . . 249 . . . 5409 1 777 . 1 1 212 212 CYS C C 13 171.70 0.1 . 1 . . . . 250 . . . 5409 1 778 . 1 1 212 212 CYS CA C 13 57.42 0.1 . 1 . . . . 250 . . . 5409 1 779 . 1 1 212 212 CYS CB C 13 29.53 0.1 . 1 . . . . 250 . . . 5409 1 780 . 1 1 212 212 CYS N N 15 114.32 0.1 . 1 . . . . 250 . . . 5409 1 781 . 1 1 212 212 CYS H H 1 7.84 0.02 . 1 . . . . 250 . . . 5409 1 782 . 1 1 213 213 CYS C C 13 173.77 0.1 . 1 . . . . 251 . . . 5409 1 783 . 1 1 213 213 CYS CA C 13 59.80 0.1 . 1 . . . . 251 . . . 5409 1 784 . 1 1 213 213 CYS N N 15 113.69 0.1 . 1 . . . . 251 . . . 5409 1 785 . 1 1 213 213 CYS H H 1 8.42 0.02 . 1 . . . . 251 . . . 5409 1 786 . 1 1 214 214 THR C C 13 174.94 0.1 . 1 . . . . 252 . . . 5409 1 787 . 1 1 214 214 THR CA C 13 62.46 0.1 . 1 . . . . 252 . . . 5409 1 788 . 1 1 214 214 THR CB C 13 70.15 0.1 . 1 . . . . 252 . . . 5409 1 789 . 1 1 214 214 THR N N 15 121.40 0.1 . 1 . . . . 252 . . . 5409 1 790 . 1 1 214 214 THR H H 1 8.20 0.02 . 1 . . . . 252 . . . 5409 1 791 . 1 1 215 215 LEU C C 13 176.92 0.1 . 1 . . . . 253 . . . 5409 1 792 . 1 1 215 215 LEU CA C 13 55.14 0.1 . 1 . . . . 253 . . . 5409 1 793 . 1 1 215 215 LEU CB C 13 42.44 0.1 . 1 . . . . 253 . . . 5409 1 794 . 1 1 215 215 LEU N N 15 128.47 0.1 . 1 . . . . 253 . . . 5409 1 795 . 1 1 215 215 LEU H H 1 8.86 0.02 . 1 . . . . 253 . . . 5409 1 796 . 1 1 216 216 ARG C C 13 176.74 0.1 . 1 . . . . 254 . . . 5409 1 797 . 1 1 216 216 ARG CA C 13 53.74 0.1 . 1 . . . . 254 . . . 5409 1 798 . 1 1 216 216 ARG CB C 13 29.53 0.1 . 1 . . . . 254 . . . 5409 1 799 . 1 1 216 216 ARG N N 15 124.43 0.1 . 1 . . . . 254 . . . 5409 1 800 . 1 1 216 216 ARG H H 1 9.00 0.02 . 1 . . . . 254 . . . 5409 1 801 . 1 1 217 217 ILE C C 13 173.66 0.1 . 1 . . . . 255 . . . 5409 1 802 . 1 1 217 217 ILE CA C 13 60.34 0.1 . 1 . . . . 255 . . . 5409 1 803 . 1 1 217 217 ILE CB C 13 41.34 0.1 . 1 . . . . 255 . . . 5409 1 804 . 1 1 217 217 ILE N N 15 126.32 0.1 . 1 . . . . 255 . . . 5409 1 805 . 1 1 217 217 ILE H H 1 8.84 0.02 . 1 . . . . 255 . . . 5409 1 806 . 1 1 218 218 ASP C C 13 175.05 0.1 . 1 . . . . 256 . . . 5409 1 807 . 1 1 218 218 ASP CA C 13 51.90 0.1 . 1 . . . . 256 . . . 5409 1 808 . 1 1 218 218 ASP CB C 13 44.16 0.1 . 1 . . . . 256 . . . 5409 1 809 . 1 1 218 218 ASP N N 15 127.08 0.1 . 1 . . . . 256 . . . 5409 1 810 . 1 1 218 218 ASP H H 1 8.87 0.02 . 1 . . . . 256 . . . 5409 1 811 . 1 1 219 219 PHE C C 13 176.76 0.1 . 1 . . . . 257 . . . 5409 1 812 . 1 1 219 219 PHE CA C 13 58.78 0.1 . 1 . . . . 257 . . . 5409 1 813 . 1 1 219 219 PHE CB C 13 39.33 0.1 . 1 . . . . 257 . . . 5409 1 814 . 1 1 219 219 PHE N N 15 120.39 0.1 . 1 . . . . 257 . . . 5409 1 815 . 1 1 219 219 PHE H H 1 8.79 0.02 . 1 . . . . 257 . . . 5409 1 816 . 1 1 220 220 SER C C 13 175.45 0.1 . 1 . . . . 258 . . . 5409 1 817 . 1 1 220 220 SER CA C 13 56.79 0.1 . 1 . . . . 258 . . . 5409 1 818 . 1 1 220 220 SER CB C 13 63.91 0.1 . 1 . . . . 258 . . . 5409 1 819 . 1 1 220 220 SER N N 15 118.49 0.1 . 1 . . . . 258 . . . 5409 1 820 . 1 1 220 220 SER H H 1 8.57 0.02 . 1 . . . . 258 . . . 5409 1 821 . 1 1 222 222 LEU C C 13 177.30 0.1 . 1 . . . . 260 . . . 5409 1 822 . 1 1 222 222 LEU CA C 13 54.98 0.1 . 1 . . . . 260 . . . 5409 1 823 . 1 1 222 222 LEU CB C 13 41.34 0.1 . 1 . . . . 260 . . . 5409 1 824 . 1 1 223 223 THR C C 13 174.30 0.1 . 1 . . . . 261 . . . 5409 1 825 . 1 1 223 223 THR CA C 13 61.79 0.1 . 1 . . . . 261 . . . 5409 1 826 . 1 1 223 223 THR CB C 13 69.18 0.1 . 1 . . . . 261 . . . 5409 1 827 . 1 1 223 223 THR N N 15 109.77 0.1 . 1 . . . . 261 . . . 5409 1 828 . 1 1 223 223 THR H H 1 8.32 0.02 . 1 . . . . 261 . . . 5409 1 829 . 1 1 224 224 SER C C 13 172.48 0.1 . 1 . . . . 262 . . . 5409 1 830 . 1 1 224 224 SER CA C 13 57.01 0.1 . 1 . . . . 262 . . . 5409 1 831 . 1 1 224 224 SER CB C 13 64.28 0.1 . 1 . . . . 262 . . . 5409 1 832 . 1 1 224 224 SER N N 15 113.69 0.1 . 1 . . . . 262 . . . 5409 1 833 . 1 1 224 224 SER H H 1 7.28 0.02 . 1 . . . . 262 . . . 5409 1 834 . 1 1 225 225 LEU C C 13 175.54 0.1 . 1 . . . . 263 . . . 5409 1 835 . 1 1 225 225 LEU CA C 13 52.73 0.1 . 1 . . . . 263 . . . 5409 1 836 . 1 1 225 225 LEU CB C 13 43.05 0.1 . 1 . . . . 263 . . . 5409 1 837 . 1 1 225 225 LEU N N 15 121.65 0.1 . 1 . . . . 263 . . . 5409 1 838 . 1 1 225 225 LEU H H 1 8.01 0.02 . 1 . . . . 263 . . . 5409 1 839 . 1 1 226 226 ASN C C 13 178.18 0.1 . 1 . . . . 264 . . . 5409 1 840 . 1 1 226 226 ASN CA C 13 51.90 0.1 . 1 . . . . 264 . . . 5409 1 841 . 1 1 226 226 ASN CB C 13 38.89 0.1 . 1 . . . . 264 . . . 5409 1 842 . 1 1 226 226 ASN N N 15 122.91 0.1 . 1 . . . . 264 . . . 5409 1 843 . 1 1 226 226 ASN H H 1 8.68 0.02 . 1 . . . . 264 . . . 5409 1 844 . 1 1 227 227 VAL C C 13 175.03 0.1 . 1 . . . . 265 . . . 5409 1 845 . 1 1 227 227 VAL CA C 13 62.05 0.1 . 1 . . . . 265 . . . 5409 1 846 . 1 1 227 227 VAL CB C 13 33.27 0.1 . 1 . . . . 265 . . . 5409 1 847 . 1 1 227 227 VAL N N 15 125.25 0.1 . 1 . . . . 265 . . . 5409 1 848 . 1 1 227 227 VAL H H 1 8.08 0.02 . 1 . . . . 265 . . . 5409 1 849 . 1 1 228 228 LYS C C 13 174.77 0.1 . 1 . . . . 266 . . . 5409 1 850 . 1 1 228 228 LYS CA C 13 56.85 0.1 . 1 . . . . 266 . . . 5409 1 851 . 1 1 228 228 LYS CB C 13 33.37 0.1 . 1 . . . . 266 . . . 5409 1 852 . 1 1 228 228 LYS N N 15 128.47 0.1 . 1 . . . . 266 . . . 5409 1 853 . 1 1 228 228 LYS H H 1 8.34 0.02 . 1 . . . . 266 . . . 5409 1 854 . 1 1 229 229 TYR C C 13 174.19 0.1 . 1 . . . . 267 . . . 5409 1 855 . 1 1 229 229 TYR CA C 13 54.57 0.1 . 1 . . . . 267 . . . 5409 1 856 . 1 1 229 229 TYR CB C 13 42.01 0.1 . 1 . . . . 267 . . . 5409 1 857 . 1 1 229 229 TYR N N 15 115.58 0.1 . 1 . . . . 267 . . . 5409 1 858 . 1 1 229 229 TYR H H 1 7.08 0.02 . 1 . . . . 267 . . . 5409 1 859 . 1 1 230 230 ASN C C 13 174.83 0.1 . 1 . . . . 268 . . . 5409 1 860 . 1 1 230 230 ASN CA C 13 50.60 0.1 . 1 . . . . 268 . . . 5409 1 861 . 1 1 230 230 ASN CB C 13 38.59 0.1 . 1 . . . . 268 . . . 5409 1 862 . 1 1 230 230 ASN N N 15 120.89 0.1 . 1 . . . . 268 . . . 5409 1 863 . 1 1 230 230 ASN H H 1 7.78 0.02 . 1 . . . . 268 . . . 5409 1 864 . 1 1 231 231 ASN C C 13 174.63 0.1 . 1 . . . . 269 . . . 5409 1 865 . 1 1 231 231 ASN CA C 13 52.57 0.1 . 1 . . . . 269 . . . 5409 1 866 . 1 1 231 231 ASN CB C 13 37.03 0.1 . 1 . . . . 269 . . . 5409 1 867 . 1 1 231 231 ASN N N 15 124.43 0.1 . 1 . . . . 269 . . . 5409 1 868 . 1 1 231 231 ASN H H 1 9.42 0.02 . 1 . . . . 269 . . . 5409 1 869 . 1 1 232 232 ASP C C 13 176.61 0.1 . 1 . . . . 270 . . . 5409 1 870 . 1 1 232 232 ASP CA C 13 55.77 0.1 . 1 . . . . 270 . . . 5409 1 871 . 1 1 232 232 ASP CB C 13 39.85 0.1 . 1 . . . . 270 . . . 5409 1 872 . 1 1 232 232 ASP N N 15 116.72 0.1 . 1 . . . . 270 . . . 5409 1 873 . 1 1 232 232 ASP H H 1 8.68 0.02 . 1 . . . . 270 . . . 5409 1 874 . 1 1 233 233 LYS C C 13 176.36 0.1 . 1 . . . . 271 . . . 5409 1 875 . 1 1 233 233 LYS CA C 13 56.06 0.1 . 1 . . . . 271 . . . 5409 1 876 . 1 1 233 233 LYS CB C 13 33.32 0.1 . 1 . . . . 271 . . . 5409 1 877 . 1 1 233 233 LYS N N 15 119.00 0.1 . 1 . . . . 271 . . . 5409 1 878 . 1 1 233 233 LYS H H 1 8.72 0.02 . 1 . . . . 271 . . . 5409 1 879 . 1 1 234 234 SER C C 13 171.46 0.1 . 1 . . . . 272 . . . 5409 1 880 . 1 1 234 234 SER CA C 13 56.56 0.1 . 1 . . . . 272 . . . 5409 1 881 . 1 1 234 234 SER CB C 13 66.51 0.1 . 1 . . . . 272 . . . 5409 1 882 . 1 1 234 234 SER N N 15 115.39 0.1 . 1 . . . . 272 . . . 5409 1 883 . 1 1 234 234 SER H H 1 7.84 0.02 . 1 . . . . 272 . . . 5409 1 884 . 1 1 235 235 ARG C C 13 173.90 0.1 . 1 . . . . 273 . . . 5409 1 885 . 1 1 235 235 ARG CA C 13 55.11 0.1 . 1 . . . . 273 . . . 5409 1 886 . 1 1 235 235 ARG CB C 13 33.25 0.1 . 1 . . . . 273 . . . 5409 1 887 . 1 1 235 235 ARG N N 15 121.78 0.1 . 1 . . . . 273 . . . 5409 1 888 . 1 1 235 235 ARG H H 1 8.98 0.02 . 1 . . . . 273 . . . 5409 1 889 . 1 1 236 236 ASP C C 13 178.27 0.1 . 1 . . . . 274 . . . 5409 1 890 . 1 1 236 236 ASP CA C 13 52.13 0.1 . 1 . . . . 274 . . . 5409 1 891 . 1 1 236 236 ASP CB C 13 41.26 0.1 . 1 . . . . 274 . . . 5409 1 892 . 1 1 236 236 ASP N N 15 126.32 0.1 . 1 . . . . 274 . . . 5409 1 893 . 1 1 236 236 ASP H H 1 8.91 0.02 . 1 . . . . 274 . . . 5409 1 894 . 1 1 237 237 TYR C C 13 176.94 0.1 . 1 . . . . 275 . . . 5409 1 895 . 1 1 237 237 TYR CA C 13 61.57 0.1 . 1 . . . . 275 . . . 5409 1 896 . 1 1 237 237 TYR CB C 13 36.88 0.1 . 1 . . . . 275 . . . 5409 1 897 . 1 1 237 237 TYR N N 15 125.57 0.1 . 1 . . . . 275 . . . 5409 1 898 . 1 1 237 237 TYR H H 1 9.01 0.02 . 1 . . . . 275 . . . 5409 1 899 . 1 1 238 238 THR C C 13 174.72 0.1 . 1 . . . . 276 . . . 5409 1 900 . 1 1 238 238 THR CA C 13 61.79 0.1 . 1 . . . . 276 . . . 5409 1 901 . 1 1 238 238 THR CB C 13 69.33 0.1 . 1 . . . . 276 . . . 5409 1 902 . 1 1 238 238 THR N N 15 112.74 0.1 . 1 . . . . 276 . . . 5409 1 903 . 1 1 238 238 THR H H 1 9.23 0.02 . 1 . . . . 276 . . . 5409 1 904 . 1 1 239 239 ARG C C 13 173.26 0.1 . 1 . . . . 277 . . . 5409 1 905 . 1 1 239 239 ARG CA C 13 52.38 0.1 . 1 . . . . 277 . . . 5409 1 906 . 1 1 239 239 ARG CB C 13 30.65 0.1 . 1 . . . . 277 . . . 5409 1 907 . 1 1 239 239 ARG N N 15 122.60 0.1 . 1 . . . . 277 . . . 5409 1 908 . 1 1 239 239 ARG H H 1 6.84 0.02 . 1 . . . . 277 . . . 5409 1 909 . 1 1 240 240 PRO C C 13 177.03 0.1 . 1 . . . . 278 . . . 5409 1 910 . 1 1 240 240 PRO CA C 13 63.69 0.1 . 1 . . . . 278 . . . 5409 1 911 . 1 1 240 240 PRO CB C 13 31.17 0.1 . 1 . . . . 278 . . . 5409 1 912 . 1 1 241 241 ASP C C 13 176.54 0.1 . 1 . . . . 279 . . . 5409 1 913 . 1 1 241 241 ASP CA C 13 53.46 0.1 . 1 . . . . 279 . . . 5409 1 914 . 1 1 241 241 ASP CB C 13 39.93 0.1 . 1 . . . . 279 . . . 5409 1 915 . 1 1 241 241 ASP N N 15 117.48 0.1 . 1 . . . . 279 . . . 5409 1 916 . 1 1 241 241 ASP H H 1 8.72 0.02 . 1 . . . . 279 . . . 5409 1 917 . 1 1 242 242 LEU C C 13 175.48 0.1 . 1 . . . . 280 . . . 5409 1 918 . 1 1 242 242 LEU CA C 13 54.12 0.1 . 1 . . . . 280 . . . 5409 1 919 . 1 1 242 242 LEU CB C 13 39.33 0.1 . 1 . . . . 280 . . . 5409 1 920 . 1 1 242 242 LEU N N 15 121.71 0.1 . 1 . . . . 280 . . . 5409 1 921 . 1 1 242 242 LEU H H 1 6.90 0.02 . 1 . . . . 280 . . . 5409 1 922 . 1 1 243 243 PRO C C 13 176.43 0.1 . 1 . . . . 281 . . . 5409 1 923 . 1 1 243 243 PRO CA C 13 62.36 0.1 . 1 . . . . 281 . . . 5409 1 924 . 1 1 243 243 PRO CB C 13 32.06 0.1 . 1 . . . . 281 . . . 5409 1 925 . 1 1 244 244 SER C C 13 176.21 0.1 . 1 . . . . 282 . . . 5409 1 926 . 1 1 244 244 SER CA C 13 58.91 0.1 . 1 . . . . 282 . . . 5409 1 927 . 1 1 244 244 SER CB C 13 64.13 0.1 . 1 . . . . 282 . . . 5409 1 928 . 1 1 244 244 SER N N 15 114.76 0.1 . 1 . . . . 282 . . . 5409 1 929 . 1 1 244 244 SER H H 1 8.56 0.02 . 1 . . . . 282 . . . 5409 1 930 . 1 1 245 245 GLY C C 13 173.21 0.1 . 1 . . . . 283 . . . 5409 1 931 . 1 1 245 245 GLY CA C 13 44.49 0.1 . 1 . . . . 283 . . . 5409 1 932 . 1 1 245 245 GLY N N 15 111.10 0.1 . 1 . . . . 283 . . . 5409 1 933 . 1 1 245 245 GLY H H 1 7.64 0.02 . 1 . . . . 283 . . . 5409 1 stop_ save_