data_15974 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15974 _Entry.Title ; Chemical shifts of the b-b'-x region of human protein disulfide isomerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-06 _Entry.Accession_date 2008-10-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shifts of the b-b'-x region of human protein disulfide isomerase.' _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 Lee Byrne . J. . 15974 2 Mark Howard . J. . 15974 3 Richard Williamson . A. . 15974 4 Ateesh Sidhu . . . 15974 5 Robert Freedman . B. . 15974 6 Katrine Wallis . . . 15974 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Oulu, Finland' . 15974 . . 'University of Warwick, UK' . 15974 1 . 'University of Kent, UK' . 15974 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15974 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 15974 '15N chemical shifts' 215 15974 '1H chemical shifts' 218 15974 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-12 2008-10-06 update BMRB 'complete entry citation' 15974 1 . . 2009-07-17 2008-10-06 original author 'original release' 15974 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15974 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19604149 _Citation.Full_citation . _Citation.Title "Mapping of the ligand-binding site on the b' domain of human PDI: interaction with peptide ligands and the x-linker region." _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 423 _Citation.Journal_issue 2 _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 209 _Citation.Page_last 217 _Citation.Year 2009 _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 Lee Byrne . J. . 15974 1 2 Ateesh Sidhu . . . 15974 1 3 'A. Katrine' Wallis . . . 15974 1 4 Lloyd Ruddock . W. . 15974 1 5 Robert Freedman . B. . 15974 1 6 Mark Howard . J. . 15974 1 7 Richard Williamson . A. . 15974 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ligand binding' 15974 1 PDI 15974 1 'protein folding' 15974 1 thioredoxin 15974 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15974 _Assembly.ID 1 _Assembly.Name b-b'-x _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26645.1 _Assembly.Enzyme_commission_number 'EC 5.3.4.1' _Assembly.Details 'single polypeptide chain' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 b-b'-x 1 $b-b'-x A . yes native no no . . . 15974 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Peptide binding domain' 15974 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_b-b'-x _Entity.Sf_category entity _Entity.Sf_framecode b-b'-x _Entity.Entry_ID 15974 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name b-b'-x _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 ; GPAATTLPDGAAAESLVESS EVAVIGFFKDVESDSAKQFL QAAEAIDDIPFGITSNSDVF SKYQLDKDGVVLFKKFDEGR NNFEGEVTKENLLDFIKHNQ LPLVIEFTEQTAPKIFGGEI KTHILLFLPKSVSDYDGKLS NFKTAAESFKGKILFIFIDS DHTDNQRILEFFGLKKEECP AVRLITLEEEMTKYKPESEE LTAERITEFCHRFLEGKIKP HLMSQELPEDWDKQPV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '117, G to 352, V' _Entity.Polymer_author_seq_details 'Mature human PDI sequence numbering' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 236 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment b-b'-x _Entity.Mutation . _Entity.EC_number 'EC 5.3.4.1' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26645.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15303 . bb-PDI . . . . . 94.49 228 100.00 100.00 3.81e-157 . . . . 15974 1 2 no BMRB 15998 . "b'-x" . . . . . 59.32 140 100.00 100.00 2.28e-95 . . . . 15974 1 3 no PDB 2K18 . "Solution Structure Of Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 94.49 228 100.00 100.00 3.81e-157 . . . . 15974 1 4 no PDB 3BJ5 . "Alternative Conformations Of The X Region Of Human Protein Disulphide- Isomerase Modulate Exposure Of The Substrate Binding B' " . . . . . 59.32 147 98.57 99.29 3.81e-94 . . . . 15974 1 5 no PDB 3UEM . "Crystal Structure Of Human Pdi Bb'a' Domains" . . . . . 101.27 361 98.33 98.33 3.02e-163 . . . . 15974 1 6 no PDB 4EKZ . "Crystal Structure Of Reduced Hpdi (abb'xa')" . . . . . 100.00 482 100.00 100.00 8.29e-165 . . . . 15974 1 7 no PDB 4EL1 . "Crystal Structure Of Oxidized Hpdi (abb'xa')" . . . . . 100.00 482 100.00 100.00 8.29e-165 . . . . 15974 1 8 no PDB 4JU5 . "Crystal Structure Of The Dimeric Form Of The Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 98.73 238 100.00 100.00 1.29e-165 . . . . 15974 1 9 no DBJ BAE79726 . "protein disulfide isomerase [Macaca fuscata]" . . . . . 100.00 510 99.15 100.00 1.98e-163 . . . . 15974 1 10 no DBJ BAE87231 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 510 97.88 99.58 2.44e-161 . . . . 15974 1 11 no DBJ BAE88032 . "unnamed protein product [Macaca fascicularis]" . . . . . 81.78 336 97.41 98.96 4.35e-128 . . . . 15974 1 12 no DBJ BAG37999 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 13 no DBJ BAG60277 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 492 99.58 99.58 4.23e-164 . . . . 15974 1 14 no EMBL CAA28775 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 1.82e-164 . . . . 15974 1 15 no EMBL CAH93050 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 508 98.73 99.58 3.89e-163 . . . . 15974 1 16 no GB AAA61169 . "thyroid hormone binding protein precursor [Homo sapiens]" . . . . . 100.00 508 98.31 98.31 2.37e-160 . . . . 15974 1 17 no GB AAC13652 . "prolyl 4-hydroxylase beta-subunit [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 18 no GB AAH10859 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 19 no GB AAH29617 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 20 no GB AAH71892 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 21 no REF NP_000909 . "protein disulfide-isomerase precursor [Homo sapiens]" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 22 no REF NP_001126805 . "protein disulfide-isomerase precursor [Pongo abelii]" . . . . . 100.00 508 98.73 99.58 3.89e-163 . . . . 15974 1 23 no REF NP_001233358 . "protein disulfide-isomerase precursor [Pan troglodytes]" . . . . . 100.00 508 99.58 99.58 6.59e-164 . . . . 15974 1 24 no REF XP_002764185 . "PREDICTED: protein disulfide-isomerase isoform X2 [Callithrix jacchus]" . . . . . 100.00 510 97.46 99.15 1.98e-161 . . . . 15974 1 25 no REF XP_003282223 . "PREDICTED: protein disulfide-isomerase isoform X1 [Nomascus leucogenys]" . . . . . 100.00 505 97.88 98.31 2.81e-159 . . . . 15974 1 26 no SP P07237 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 100.00 508 100.00 100.00 8.14e-165 . . . . 15974 1 27 no SP Q2HWU2 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Prolyl 4-hydroxylase subunit beta; Flags: Precursor" . . . . . 100.00 510 99.15 100.00 1.98e-163 . . . . 15974 1 28 no SP Q5R5B6 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 100.00 508 98.73 99.58 3.89e-163 . . . . 15974 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'disulfide bond formation; disulfide bond isomerisation; ligand binding' 15974 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 1 117 GLY . 15974 1 2 118 PRO . 15974 1 3 119 ALA . 15974 1 4 120 ALA . 15974 1 5 121 THR . 15974 1 6 122 THR . 15974 1 7 123 LEU . 15974 1 8 124 PRO . 15974 1 9 125 ASP . 15974 1 10 126 GLY . 15974 1 11 127 ALA . 15974 1 12 128 ALA . 15974 1 13 129 ALA . 15974 1 14 130 GLU . 15974 1 15 131 SER . 15974 1 16 132 LEU . 15974 1 17 133 VAL . 15974 1 18 134 GLU . 15974 1 19 135 SER . 15974 1 20 136 SER . 15974 1 21 137 GLU . 15974 1 22 138 VAL . 15974 1 23 139 ALA . 15974 1 24 140 VAL . 15974 1 25 141 ILE . 15974 1 26 142 GLY . 15974 1 27 143 PHE . 15974 1 28 144 PHE . 15974 1 29 145 LYS . 15974 1 30 146 ASP . 15974 1 31 147 VAL . 15974 1 32 148 GLU . 15974 1 33 149 SER . 15974 1 34 150 ASP . 15974 1 35 151 SER . 15974 1 36 152 ALA . 15974 1 37 153 LYS . 15974 1 38 154 GLN . 15974 1 39 155 PHE . 15974 1 40 156 LEU . 15974 1 41 157 GLN . 15974 1 42 158 ALA . 15974 1 43 159 ALA . 15974 1 44 160 GLU . 15974 1 45 161 ALA . 15974 1 46 162 ILE . 15974 1 47 163 ASP . 15974 1 48 164 ASP . 15974 1 49 165 ILE . 15974 1 50 166 PRO . 15974 1 51 167 PHE . 15974 1 52 168 GLY . 15974 1 53 169 ILE . 15974 1 54 170 THR . 15974 1 55 171 SER . 15974 1 56 172 ASN . 15974 1 57 173 SER . 15974 1 58 174 ASP . 15974 1 59 175 VAL . 15974 1 60 176 PHE . 15974 1 61 177 SER . 15974 1 62 178 LYS . 15974 1 63 179 TYR . 15974 1 64 180 GLN . 15974 1 65 181 LEU . 15974 1 66 182 ASP . 15974 1 67 183 LYS . 15974 1 68 184 ASP . 15974 1 69 185 GLY . 15974 1 70 186 VAL . 15974 1 71 187 VAL . 15974 1 72 188 LEU . 15974 1 73 189 PHE . 15974 1 74 190 LYS . 15974 1 75 191 LYS . 15974 1 76 192 PHE . 15974 1 77 193 ASP . 15974 1 78 194 GLU . 15974 1 79 195 GLY . 15974 1 80 196 ARG . 15974 1 81 197 ASN . 15974 1 82 198 ASN . 15974 1 83 199 PHE . 15974 1 84 200 GLU . 15974 1 85 201 GLY . 15974 1 86 202 GLU . 15974 1 87 203 VAL . 15974 1 88 204 THR . 15974 1 89 205 LYS . 15974 1 90 206 GLU . 15974 1 91 207 ASN . 15974 1 92 208 LEU . 15974 1 93 209 LEU . 15974 1 94 210 ASP . 15974 1 95 211 PHE . 15974 1 96 212 ILE . 15974 1 97 213 LYS . 15974 1 98 214 HIS . 15974 1 99 215 ASN . 15974 1 100 216 GLN . 15974 1 101 217 LEU . 15974 1 102 218 PRO . 15974 1 103 219 LEU . 15974 1 104 220 VAL . 15974 1 105 221 ILE . 15974 1 106 222 GLU . 15974 1 107 223 PHE . 15974 1 108 224 THR . 15974 1 109 225 GLU . 15974 1 110 226 GLN . 15974 1 111 227 THR . 15974 1 112 228 ALA . 15974 1 113 229 PRO . 15974 1 114 230 LYS . 15974 1 115 231 ILE . 15974 1 116 232 PHE . 15974 1 117 233 GLY . 15974 1 118 234 GLY . 15974 1 119 235 GLU . 15974 1 120 236 ILE . 15974 1 121 237 LYS . 15974 1 122 238 THR . 15974 1 123 239 HIS . 15974 1 124 240 ILE . 15974 1 125 241 LEU . 15974 1 126 242 LEU . 15974 1 127 243 PHE . 15974 1 128 244 LEU . 15974 1 129 245 PRO . 15974 1 130 246 LYS . 15974 1 131 247 SER . 15974 1 132 248 VAL . 15974 1 133 249 SER . 15974 1 134 250 ASP . 15974 1 135 251 TYR . 15974 1 136 252 ASP . 15974 1 137 253 GLY . 15974 1 138 254 LYS . 15974 1 139 255 LEU . 15974 1 140 256 SER . 15974 1 141 257 ASN . 15974 1 142 258 PHE . 15974 1 143 259 LYS . 15974 1 144 260 THR . 15974 1 145 261 ALA . 15974 1 146 262 ALA . 15974 1 147 263 GLU . 15974 1 148 264 SER . 15974 1 149 265 PHE . 15974 1 150 266 LYS . 15974 1 151 267 GLY . 15974 1 152 268 LYS . 15974 1 153 269 ILE . 15974 1 154 270 LEU . 15974 1 155 271 PHE . 15974 1 156 272 ILE . 15974 1 157 273 PHE . 15974 1 158 274 ILE . 15974 1 159 275 ASP . 15974 1 160 276 SER . 15974 1 161 277 ASP . 15974 1 162 278 HIS . 15974 1 163 279 THR . 15974 1 164 280 ASP . 15974 1 165 281 ASN . 15974 1 166 282 GLN . 15974 1 167 283 ARG . 15974 1 168 284 ILE . 15974 1 169 285 LEU . 15974 1 170 286 GLU . 15974 1 171 287 PHE . 15974 1 172 288 PHE . 15974 1 173 289 GLY . 15974 1 174 290 LEU . 15974 1 175 291 LYS . 15974 1 176 292 LYS . 15974 1 177 293 GLU . 15974 1 178 294 GLU . 15974 1 179 295 CYS . 15974 1 180 296 PRO . 15974 1 181 297 ALA . 15974 1 182 298 VAL . 15974 1 183 299 ARG . 15974 1 184 300 LEU . 15974 1 185 301 ILE . 15974 1 186 302 THR . 15974 1 187 303 LEU . 15974 1 188 304 GLU . 15974 1 189 305 GLU . 15974 1 190 306 GLU . 15974 1 191 307 MET . 15974 1 192 308 THR . 15974 1 193 309 LYS . 15974 1 194 310 TYR . 15974 1 195 311 LYS . 15974 1 196 312 PRO . 15974 1 197 313 GLU . 15974 1 198 314 SER . 15974 1 199 315 GLU . 15974 1 200 316 GLU . 15974 1 201 317 LEU . 15974 1 202 318 THR . 15974 1 203 319 ALA . 15974 1 204 320 GLU . 15974 1 205 321 ARG . 15974 1 206 322 ILE . 15974 1 207 323 THR . 15974 1 208 324 GLU . 15974 1 209 325 PHE . 15974 1 210 326 CYS . 15974 1 211 327 HIS . 15974 1 212 328 ARG . 15974 1 213 329 PHE . 15974 1 214 330 LEU . 15974 1 215 331 GLU . 15974 1 216 332 GLY . 15974 1 217 333 LYS . 15974 1 218 334 ILE . 15974 1 219 335 LYS . 15974 1 220 336 PRO . 15974 1 221 337 HIS . 15974 1 222 338 LEU . 15974 1 223 339 MET . 15974 1 224 340 SER . 15974 1 225 341 GLN . 15974 1 226 342 GLU . 15974 1 227 343 LEU . 15974 1 228 344 PRO . 15974 1 229 345 GLU . 15974 1 230 346 ASP . 15974 1 231 347 TRP . 15974 1 232 348 ASP . 15974 1 233 349 LYS . 15974 1 234 350 GLN . 15974 1 235 351 PRO . 15974 1 236 352 VAL . 15974 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15974 1 . PRO 2 2 15974 1 . ALA 3 3 15974 1 . ALA 4 4 15974 1 . THR 5 5 15974 1 . THR 6 6 15974 1 . LEU 7 7 15974 1 . PRO 8 8 15974 1 . ASP 9 9 15974 1 . GLY 10 10 15974 1 . ALA 11 11 15974 1 . ALA 12 12 15974 1 . ALA 13 13 15974 1 . GLU 14 14 15974 1 . SER 15 15 15974 1 . LEU 16 16 15974 1 . VAL 17 17 15974 1 . GLU 18 18 15974 1 . SER 19 19 15974 1 . SER 20 20 15974 1 . GLU 21 21 15974 1 . VAL 22 22 15974 1 . ALA 23 23 15974 1 . VAL 24 24 15974 1 . ILE 25 25 15974 1 . GLY 26 26 15974 1 . PHE 27 27 15974 1 . PHE 28 28 15974 1 . LYS 29 29 15974 1 . ASP 30 30 15974 1 . VAL 31 31 15974 1 . GLU 32 32 15974 1 . SER 33 33 15974 1 . ASP 34 34 15974 1 . SER 35 35 15974 1 . ALA 36 36 15974 1 . LYS 37 37 15974 1 . GLN 38 38 15974 1 . PHE 39 39 15974 1 . LEU 40 40 15974 1 . GLN 41 41 15974 1 . ALA 42 42 15974 1 . ALA 43 43 15974 1 . GLU 44 44 15974 1 . ALA 45 45 15974 1 . ILE 46 46 15974 1 . ASP 47 47 15974 1 . ASP 48 48 15974 1 . ILE 49 49 15974 1 . PRO 50 50 15974 1 . PHE 51 51 15974 1 . GLY 52 52 15974 1 . ILE 53 53 15974 1 . THR 54 54 15974 1 . SER 55 55 15974 1 . ASN 56 56 15974 1 . SER 57 57 15974 1 . ASP 58 58 15974 1 . VAL 59 59 15974 1 . PHE 60 60 15974 1 . SER 61 61 15974 1 . LYS 62 62 15974 1 . TYR 63 63 15974 1 . GLN 64 64 15974 1 . LEU 65 65 15974 1 . ASP 66 66 15974 1 . LYS 67 67 15974 1 . ASP 68 68 15974 1 . GLY 69 69 15974 1 . VAL 70 70 15974 1 . VAL 71 71 15974 1 . LEU 72 72 15974 1 . PHE 73 73 15974 1 . LYS 74 74 15974 1 . LYS 75 75 15974 1 . PHE 76 76 15974 1 . ASP 77 77 15974 1 . GLU 78 78 15974 1 . GLY 79 79 15974 1 . ARG 80 80 15974 1 . ASN 81 81 15974 1 . ASN 82 82 15974 1 . PHE 83 83 15974 1 . GLU 84 84 15974 1 . GLY 85 85 15974 1 . GLU 86 86 15974 1 . VAL 87 87 15974 1 . THR 88 88 15974 1 . LYS 89 89 15974 1 . GLU 90 90 15974 1 . ASN 91 91 15974 1 . LEU 92 92 15974 1 . LEU 93 93 15974 1 . ASP 94 94 15974 1 . PHE 95 95 15974 1 . ILE 96 96 15974 1 . LYS 97 97 15974 1 . HIS 98 98 15974 1 . ASN 99 99 15974 1 . GLN 100 100 15974 1 . LEU 101 101 15974 1 . PRO 102 102 15974 1 . LEU 103 103 15974 1 . VAL 104 104 15974 1 . ILE 105 105 15974 1 . GLU 106 106 15974 1 . PHE 107 107 15974 1 . THR 108 108 15974 1 . GLU 109 109 15974 1 . GLN 110 110 15974 1 . THR 111 111 15974 1 . ALA 112 112 15974 1 . PRO 113 113 15974 1 . LYS 114 114 15974 1 . ILE 115 115 15974 1 . PHE 116 116 15974 1 . GLY 117 117 15974 1 . GLY 118 118 15974 1 . GLU 119 119 15974 1 . ILE 120 120 15974 1 . LYS 121 121 15974 1 . THR 122 122 15974 1 . HIS 123 123 15974 1 . ILE 124 124 15974 1 . LEU 125 125 15974 1 . LEU 126 126 15974 1 . PHE 127 127 15974 1 . LEU 128 128 15974 1 . PRO 129 129 15974 1 . LYS 130 130 15974 1 . SER 131 131 15974 1 . VAL 132 132 15974 1 . SER 133 133 15974 1 . ASP 134 134 15974 1 . TYR 135 135 15974 1 . ASP 136 136 15974 1 . GLY 137 137 15974 1 . LYS 138 138 15974 1 . LEU 139 139 15974 1 . SER 140 140 15974 1 . ASN 141 141 15974 1 . PHE 142 142 15974 1 . LYS 143 143 15974 1 . THR 144 144 15974 1 . ALA 145 145 15974 1 . ALA 146 146 15974 1 . GLU 147 147 15974 1 . SER 148 148 15974 1 . PHE 149 149 15974 1 . LYS 150 150 15974 1 . GLY 151 151 15974 1 . LYS 152 152 15974 1 . ILE 153 153 15974 1 . LEU 154 154 15974 1 . PHE 155 155 15974 1 . ILE 156 156 15974 1 . PHE 157 157 15974 1 . ILE 158 158 15974 1 . ASP 159 159 15974 1 . SER 160 160 15974 1 . ASP 161 161 15974 1 . HIS 162 162 15974 1 . THR 163 163 15974 1 . ASP 164 164 15974 1 . ASN 165 165 15974 1 . GLN 166 166 15974 1 . ARG 167 167 15974 1 . ILE 168 168 15974 1 . LEU 169 169 15974 1 . GLU 170 170 15974 1 . PHE 171 171 15974 1 . PHE 172 172 15974 1 . GLY 173 173 15974 1 . LEU 174 174 15974 1 . LYS 175 175 15974 1 . LYS 176 176 15974 1 . GLU 177 177 15974 1 . GLU 178 178 15974 1 . CYS 179 179 15974 1 . PRO 180 180 15974 1 . ALA 181 181 15974 1 . VAL 182 182 15974 1 . ARG 183 183 15974 1 . LEU 184 184 15974 1 . ILE 185 185 15974 1 . THR 186 186 15974 1 . LEU 187 187 15974 1 . GLU 188 188 15974 1 . GLU 189 189 15974 1 . GLU 190 190 15974 1 . MET 191 191 15974 1 . THR 192 192 15974 1 . LYS 193 193 15974 1 . TYR 194 194 15974 1 . LYS 195 195 15974 1 . PRO 196 196 15974 1 . GLU 197 197 15974 1 . SER 198 198 15974 1 . GLU 199 199 15974 1 . GLU 200 200 15974 1 . LEU 201 201 15974 1 . THR 202 202 15974 1 . ALA 203 203 15974 1 . GLU 204 204 15974 1 . ARG 205 205 15974 1 . ILE 206 206 15974 1 . THR 207 207 15974 1 . GLU 208 208 15974 1 . PHE 209 209 15974 1 . CYS 210 210 15974 1 . HIS 211 211 15974 1 . ARG 212 212 15974 1 . PHE 213 213 15974 1 . LEU 214 214 15974 1 . GLU 215 215 15974 1 . GLY 216 216 15974 1 . LYS 217 217 15974 1 . ILE 218 218 15974 1 . LYS 219 219 15974 1 . PRO 220 220 15974 1 . HIS 221 221 15974 1 . LEU 222 222 15974 1 . MET 223 223 15974 1 . SER 224 224 15974 1 . GLN 225 225 15974 1 . GLU 226 226 15974 1 . LEU 227 227 15974 1 . PRO 228 228 15974 1 . GLU 229 229 15974 1 . ASP 230 230 15974 1 . TRP 231 231 15974 1 . ASP 232 232 15974 1 . LYS 233 233 15974 1 . GLN 234 234 15974 1 . PRO 235 235 15974 1 . VAL 236 236 15974 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 15974 _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 $b-b'-x . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15974 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 15974 _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 $b-b'-x . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET23 . . . . . . 15974 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15974 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 b-b'-x '[U-99% 13C; U-99% 15N]' . . 1 $b-b'-x . . 10 . . % . . . . 15974 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15974 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15974 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15974 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15974 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 15974 1 pH 6.5 . pH 15974 1 pressure 1 . atm 15974 1 temperature 313 . K 15974 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 15974 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version 1.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . www.ccpn.ac.uk/ccpn 15974 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15974 1 'data analysis' 15974 1 'peak picking' 15974 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15974 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . www.spin.niddk.nih.gov 15974 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15974 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15974 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . www.varianinc.com 15974 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15974 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15974 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15974 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 15974 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 15974 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15974 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15974 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15974 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15974 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15974 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15974 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15974 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15974 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15974 1 2 '3D CBCA(CO)NH' . . . 15974 1 3 '3D HNCACB' . . . 15974 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN_Analysis . . 15974 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 3 3 ALA H H 1 8.334 0.003 . 1 . . . . 119 a HN . 15974 1 2 . 1 1 3 3 ALA CA C 13 53.021 0.345 . 1 . . . . 119 a CA . 15974 1 3 . 1 1 3 3 ALA N N 15 123.884 0.064 . 1 . . . . 119 a N . 15974 1 4 . 1 1 4 4 ALA H H 1 7.422 0.003 . 1 . . . . 120 a HN . 15974 1 5 . 1 1 4 4 ALA CA C 13 50.480 0.345 . 1 . . . . 120 a CA . 15974 1 6 . 1 1 4 4 ALA N N 15 117.801 0.064 . 1 . . . . 120 a N . 15974 1 7 . 1 1 5 5 THR H H 1 8.589 0.003 . 1 . . . . 121 t HN . 15974 1 8 . 1 1 5 5 THR CA C 13 62.493 0.345 . 1 . . . . 121 t CA . 15974 1 9 . 1 1 5 5 THR N N 15 119.099 0.064 . 1 . . . . 121 t N . 15974 1 10 . 1 1 6 6 THR H H 1 8.739 0.003 . 1 . . . . 122 t HN . 15974 1 11 . 1 1 6 6 THR CA C 13 63.360 0.345 . 1 . . . . 122 t CA . 15974 1 12 . 1 1 6 6 THR N N 15 124.896 0.064 . 1 . . . . 122 t N . 15974 1 13 . 1 1 7 7 LEU H H 1 8.858 0.003 . 1 . . . . 123 l HN . 15974 1 14 . 1 1 7 7 LEU CA C 13 50.291 0.345 . 1 . . . . 123 l CA . 15974 1 15 . 1 1 7 7 LEU N N 15 126.386 0.064 . 1 . . . . 123 l N . 15974 1 16 . 1 1 9 9 ASP H H 1 7.065 0.003 . 1 . . . . 125 d HN . 15974 1 17 . 1 1 9 9 ASP CA C 13 52.455 0.345 . 1 . . . . 125 d CA . 15974 1 18 . 1 1 9 9 ASP N N 15 112.007 0.064 . 1 . . . . 125 d N . 15974 1 19 . 1 1 10 10 GLY H H 1 9.026 0.003 . 1 . . . . 126 g HN . 15974 1 20 . 1 1 10 10 GLY CA C 13 47.345 0.345 . 1 . . . . 126 g CA . 15974 1 21 . 1 1 10 10 GLY N N 15 106.501 0.064 . 1 . . . . 126 g N . 15974 1 22 . 1 1 11 11 ALA H H 1 7.962 0.003 . 1 . . . . 127 a HN . 15974 1 23 . 1 1 11 11 ALA CA C 13 55.080 0.345 . 1 . . . . 127 a CA . 15974 1 24 . 1 1 11 11 ALA N N 15 125.099 0.064 . 1 . . . . 127 a N . 15974 1 25 . 1 1 12 12 ALA H H 1 8.227 0.003 . 1 . . . . 128 a HN . 15974 1 26 . 1 1 12 12 ALA CA C 13 51.446 0.345 . 1 . . . . 128 a CA . 15974 1 27 . 1 1 12 12 ALA N N 15 121.622 0.064 . 1 . . . . 128 a N . 15974 1 28 . 1 1 13 13 ALA H H 1 7.548 0.003 . 1 . . . . 129 a HN . 15974 1 29 . 1 1 13 13 ALA N N 15 120.392 0.064 . 1 . . . . 129 a N . 15974 1 30 . 1 1 14 14 GLU H H 1 8.359 0.003 . 1 . . . . 130 e HN . 15974 1 31 . 1 1 14 14 GLU CA C 13 59.254 0.345 . 1 . . . . 130 e CA . 15974 1 32 . 1 1 14 14 GLU N N 15 117.010 0.064 . 1 . . . . 130 e N . 15974 1 33 . 1 1 15 15 SER H H 1 7.866 0.003 . 1 . . . . 131 s HN . 15974 1 34 . 1 1 15 15 SER N N 15 112.698 0.064 . 1 . . . . 131 s N . 15974 1 35 . 1 1 16 16 LEU H H 1 7.418 0.003 . 1 . . . . 132 l HN . 15974 1 36 . 1 1 16 16 LEU CA C 13 58.399 0.345 . 1 . . . . 132 l CA . 15974 1 37 . 1 1 16 16 LEU N N 15 122.760 0.064 . 1 . . . . 132 l N . 15974 1 38 . 1 1 17 17 VAL H H 1 7.898 0.003 . 1 . . . . 133 v HN . 15974 1 39 . 1 1 17 17 VAL CA C 13 66.839 0.345 . 1 . . . . 133 v CA . 15974 1 40 . 1 1 17 17 VAL N N 15 119.213 0.064 . 1 . . . . 133 v N . 15974 1 41 . 1 1 18 18 GLU H H 1 8.149 0.003 . 1 . . . . 134 e HN . 15974 1 42 . 1 1 18 18 GLU CA C 13 58.004 0.345 . 1 . . . . 134 e CA . 15974 1 43 . 1 1 18 18 GLU N N 15 115.008 0.064 . 1 . . . . 134 e N . 15974 1 44 . 1 1 19 19 SER H H 1 7.501 0.003 . 1 . . . . 135 s HN . 15974 1 45 . 1 1 19 19 SER CA C 13 59.789 0.345 . 1 . . . . 135 s CA . 15974 1 46 . 1 1 19 19 SER N N 15 112.465 0.064 . 1 . . . . 135 s N . 15974 1 47 . 1 1 20 20 SER H H 1 7.050 0.003 . 1 . . . . 136 s HN . 15974 1 48 . 1 1 20 20 SER CA C 13 57.240 0.345 . 1 . . . . 136 s CA . 15974 1 49 . 1 1 20 20 SER N N 15 115.384 0.064 . 1 . . . . 136 s N . 15974 1 50 . 1 1 21 21 GLU H H 1 8.624 0.003 . 1 . . . . 137 e HN . 15974 1 51 . 1 1 21 21 GLU CA C 13 60.184 0.345 . 1 . . . . 137 e CA . 15974 1 52 . 1 1 21 21 GLU N N 15 124.453 0.064 . 1 . . . . 137 e N . 15974 1 53 . 1 1 22 22 VAL H H 1 7.268 0.003 . 1 . . . . 138 v HN . 15974 1 54 . 1 1 22 22 VAL CA C 13 60.608 0.345 . 1 . . . . 138 v CA . 15974 1 55 . 1 1 22 22 VAL N N 15 113.488 0.064 . 1 . . . . 138 v N . 15974 1 56 . 1 1 23 23 ALA H H 1 9.055 0.003 . 1 . . . . 139 a HN . 15974 1 57 . 1 1 23 23 ALA CA C 13 51.383 0.345 . 1 . . . . 139 a CA . 15974 1 58 . 1 1 23 23 ALA N N 15 126.864 0.064 . 1 . . . . 139 a N . 15974 1 59 . 1 1 24 24 VAL H H 1 7.934 0.003 . 1 . . . . 140 v HN . 15974 1 60 . 1 1 24 24 VAL CA C 13 60.799 0.345 . 1 . . . . 140 v CA . 15974 1 61 . 1 1 24 24 VAL N N 15 120.100 0.064 . 1 . . . . 140 v N . 15974 1 62 . 1 1 25 25 ILE H H 1 9.025 0.003 . 1 . . . . 141 i HN . 15974 1 63 . 1 1 25 25 ILE CA C 13 60.016 0.345 . 1 . . . . 141 i CA . 15974 1 64 . 1 1 25 25 ILE N N 15 124.336 0.064 . 1 . . . . 141 i N . 15974 1 65 . 1 1 26 26 GLY H H 1 8.573 0.003 . 1 . . . . 142 g HN . 15974 1 66 . 1 1 26 26 GLY CA C 13 44.442 0.345 . 1 . . . . 142 g CA . 15974 1 67 . 1 1 26 26 GLY N N 15 115.676 0.064 . 1 . . . . 142 g N . 15974 1 68 . 1 1 27 27 PHE H H 1 8.401 0.003 . 1 . . . . 143 f HN . 15974 1 69 . 1 1 27 27 PHE CA C 13 55.033 0.345 . 1 . . . . 143 f CA . 15974 1 70 . 1 1 27 27 PHE N N 15 127.905 0.064 . 1 . . . . 143 f N . 15974 1 71 . 1 1 28 28 PHE H H 1 8.129 0.003 . 1 . . . . 144 f HN . 15974 1 72 . 1 1 28 28 PHE N N 15 116.987 0.064 . 1 . . . . 144 f N . 15974 1 73 . 1 1 29 29 LYS H H 1 9.351 0.003 . 1 . . . . 145 k HN . 15974 1 74 . 1 1 29 29 LYS CA C 13 59.022 0.345 . 1 . . . . 145 k CA . 15974 1 75 . 1 1 29 29 LYS N N 15 124.714 0.064 . 1 . . . . 145 k N . 15974 1 76 . 1 1 30 30 ASP H H 1 8.787 0.003 . 1 . . . . 146 d HN . 15974 1 77 . 1 1 30 30 ASP CA C 13 51.873 0.345 . 1 . . . . 146 d CA . 15974 1 78 . 1 1 30 30 ASP N N 15 117.151 0.064 . 1 . . . . 146 d N . 15974 1 79 . 1 1 31 31 VAL H H 1 8.468 0.003 . 1 . . . . 147 v HN . 15974 1 80 . 1 1 31 31 VAL CA C 13 63.843 0.345 . 1 . . . . 147 v CA . 15974 1 81 . 1 1 31 31 VAL N N 15 121.000 0.064 . 1 . . . . 147 v N . 15974 1 82 . 1 1 32 32 GLU H H 1 8.193 0.003 . 1 . . . . 148 e HN . 15974 1 83 . 1 1 32 32 GLU CA C 13 55.342 0.345 . 1 . . . . 148 e CA . 15974 1 84 . 1 1 32 32 GLU N N 15 117.096 0.064 . 1 . . . . 148 e N . 15974 1 85 . 1 1 33 33 SER H H 1 7.468 0.003 . 1 . . . . 149 s HN . 15974 1 86 . 1 1 33 33 SER CA C 13 58.099 0.345 . 1 . . . . 149 s CA . 15974 1 87 . 1 1 33 33 SER N N 15 115.851 0.064 . 1 . . . . 149 s N . 15974 1 88 . 1 1 34 34 ASP H H 1 8.800 0.003 . 1 . . . . 150 d HN . 15974 1 89 . 1 1 34 34 ASP N N 15 121.384 0.064 . 1 . . . . 150 d N . 15974 1 90 . 1 1 35 35 SER H H 1 8.381 0.003 . 1 . . . . 151 s HN . 15974 1 91 . 1 1 35 35 SER CA C 13 61.557 0.345 . 1 . . . . 151 s CA . 15974 1 92 . 1 1 35 35 SER N N 15 113.957 0.064 . 1 . . . . 151 s N . 15974 1 93 . 1 1 36 36 ALA H H 1 6.911 0.003 . 1 . . . . 152 a HN . 15974 1 94 . 1 1 36 36 ALA CA C 13 54.552 0.345 . 1 . . . . 152 a CA . 15974 1 95 . 1 1 36 36 ALA N N 15 125.334 0.064 . 1 . . . . 152 a N . 15974 1 96 . 1 1 37 37 LYS H H 1 7.983 0.003 . 1 . . . . 153 k HN . 15974 1 97 . 1 1 37 37 LYS CA C 13 60.130 0.345 . 1 . . . . 153 k CA . 15974 1 98 . 1 1 37 37 LYS N N 15 115.884 0.064 . 1 . . . . 153 k N . 15974 1 99 . 1 1 38 38 GLN H H 1 7.827 0.003 . 1 . . . . 154 q HN . 15974 1 100 . 1 1 38 38 GLN N N 15 118.751 0.064 . 1 . . . . 154 q N . 15974 1 101 . 1 1 39 39 PHE H H 1 7.670 0.003 . 1 . . . . 155 f HN . 15974 1 102 . 1 1 39 39 PHE CA C 13 57.470 0.345 . 1 . . . . 155 f CA . 15974 1 103 . 1 1 39 39 PHE N N 15 119.718 0.064 . 1 . . . . 155 f N . 15974 1 104 . 1 1 41 41 GLN H H 1 7.648 0.003 . 1 . . . . 157 q HN . 15974 1 105 . 1 1 41 41 GLN CA C 13 58.805 0.345 . 1 . . . . 157 q CA . 15974 1 106 . 1 1 41 41 GLN N N 15 117.606 0.064 . 1 . . . . 157 q N . 15974 1 107 . 1 1 42 42 ALA H H 1 7.601 0.003 . 1 . . . . 158 a HN . 15974 1 108 . 1 1 42 42 ALA CA C 13 55.266 0.345 . 1 . . . . 158 a CA . 15974 1 109 . 1 1 42 42 ALA N N 15 123.575 0.064 . 1 . . . . 158 a N . 15974 1 110 . 1 1 43 43 ALA H H 1 7.250 0.003 . 1 . . . . 159 a HN . 15974 1 111 . 1 1 43 43 ALA CA C 13 53.236 0.345 . 1 . . . . 159 a CA . 15974 1 112 . 1 1 43 43 ALA N N 15 117.922 0.064 . 1 . . . . 159 a N . 15974 1 113 . 1 1 44 44 GLU H H 1 6.921 0.003 . 1 . . . . 160 e HN . 15974 1 114 . 1 1 44 44 GLU CA C 13 57.291 0.345 . 1 . . . . 160 e CA . 15974 1 115 . 1 1 44 44 GLU N N 15 112.737 0.064 . 1 . . . . 160 e N . 15974 1 116 . 1 1 45 45 ALA H H 1 7.205 0.003 . 1 . . . . 161 a HN . 15974 1 117 . 1 1 45 45 ALA CA C 13 52.551 0.345 . 1 . . . . 161 a CA . 15974 1 118 . 1 1 45 45 ALA N N 15 119.716 0.064 . 1 . . . . 161 a N . 15974 1 119 . 1 1 46 46 ILE H H 1 7.004 0.003 . 1 . . . . 162 i HN . 15974 1 120 . 1 1 46 46 ILE CA C 13 59.684 0.345 . 1 . . . . 162 i CA . 15974 1 121 . 1 1 46 46 ILE N N 15 118.915 0.064 . 1 . . . . 162 i N . 15974 1 122 . 1 1 47 47 ASP H H 1 8.272 0.003 . 1 . . . . 163 d HN . 15974 1 123 . 1 1 47 47 ASP CA C 13 54.462 0.345 . 1 . . . . 163 d CA . 15974 1 124 . 1 1 48 48 ASP H H 1 8.465 0.003 . 1 . . . . 164 d HN . 15974 1 125 . 1 1 48 48 ASP N N 15 115.673 0.064 . 1 . . . . 164 d N . 15974 1 126 . 1 1 49 49 ILE H H 1 7.112 0.003 . 1 . . . . 165 i HN . 15974 1 127 . 1 1 49 49 ILE CA C 13 57.635 0.345 . 1 . . . . 165 i CA . 15974 1 128 . 1 1 49 49 ILE N N 15 118.816 0.064 . 1 . . . . 165 i N . 15974 1 129 . 1 1 51 51 PHE H H 1 8.638 0.003 . 1 . . . . 167 f HN . 15974 1 130 . 1 1 51 51 PHE CA C 13 55.554 0.345 . 1 . . . . 167 f CA . 15974 1 131 . 1 1 51 51 PHE N N 15 120.134 0.064 . 1 . . . . 167 f N . 15974 1 132 . 1 1 52 52 GLY H H 1 9.439 0.003 . 1 . . . . 168 g HN . 15974 1 133 . 1 1 52 52 GLY CA C 13 43.569 0.345 . 1 . . . . 168 g CA . 15974 1 134 . 1 1 52 52 GLY N N 15 108.761 0.064 . 1 . . . . 168 g N . 15974 1 135 . 1 1 53 53 ILE H H 1 8.874 0.003 . 1 . . . . 169 i HN . 15974 1 136 . 1 1 53 53 ILE CA C 13 58.515 0.345 . 1 . . . . 169 i CA . 15974 1 137 . 1 1 54 54 THR H H 1 8.590 0.003 . 1 . . . . 170 t HN . 15974 1 138 . 1 1 54 54 THR CA C 13 60.203 0.345 . 1 . . . . 170 t CA . 15974 1 139 . 1 1 54 54 THR N N 15 121.162 0.064 . 1 . . . . 170 t N . 15974 1 140 . 1 1 55 55 SER H H 1 8.617 0.003 . 1 . . . . 171 s HN . 15974 1 141 . 1 1 55 55 SER N N 15 119.742 0.064 . 1 . . . . 171 s N . 15974 1 142 . 1 1 58 58 ASP H H 1 8.575 0.003 . 1 . . . . 174 d HN . 15974 1 143 . 1 1 58 58 ASP CA C 13 57.458 0.345 . 1 . . . . 174 d CA . 15974 1 144 . 1 1 58 58 ASP N N 15 122.135 0.064 . 1 . . . . 174 d N . 15974 1 145 . 1 1 59 59 VAL H H 1 7.969 0.003 . 1 . . . . 175 v HN . 15974 1 146 . 1 1 59 59 VAL N N 15 122.183 0.064 . 1 . . . . 175 v N . 15974 1 147 . 1 1 61 61 SER H H 1 8.016 0.003 . 1 . . . . 177 s HN . 15974 1 148 . 1 1 61 61 SER N N 15 111.922 0.064 . 1 . . . . 177 s N . 15974 1 149 . 1 1 62 62 LYS H H 1 7.597 0.003 . 1 . . . . 178 k HN . 15974 1 150 . 1 1 62 62 LYS N N 15 123.889 0.064 . 1 . . . . 178 k N . 15974 1 151 . 1 1 63 63 TYR H H 1 6.992 0.003 . 1 . . . . 179 y HN . 15974 1 152 . 1 1 63 63 TYR CA C 13 58.518 0.345 . 1 . . . . 179 y CA . 15974 1 153 . 1 1 63 63 TYR N N 15 113.722 0.064 . 1 . . . . 179 y N . 15974 1 154 . 1 1 64 64 GLN H H 1 7.798 0.003 . 1 . . . . 180 q HN . 15974 1 155 . 1 1 64 64 GLN CA C 13 57.097 0.345 . 1 . . . . 180 q CA . 15974 1 156 . 1 1 64 64 GLN N N 15 113.618 0.064 . 1 . . . . 180 q N . 15974 1 157 . 1 1 65 65 LEU H H 1 8.008 0.003 . 1 . . . . 181 l HN . 15974 1 158 . 1 1 65 65 LEU CA C 13 54.956 0.345 . 1 . . . . 181 l CA . 15974 1 159 . 1 1 65 65 LEU N N 15 120.464 0.064 . 1 . . . . 181 l N . 15974 1 160 . 1 1 66 66 ASP H H 1 8.493 0.003 . 1 . . . . 182 d HN . 15974 1 161 . 1 1 66 66 ASP CA C 13 53.247 0.345 . 1 . . . . 182 d CA . 15974 1 162 . 1 1 66 66 ASP N N 15 120.368 0.064 . 1 . . . . 182 d N . 15974 1 163 . 1 1 67 67 LYS H H 1 7.653 0.003 . 1 . . . . 183 k HN . 15974 1 164 . 1 1 67 67 LYS CA C 13 54.642 0.345 . 1 . . . . 183 k CA . 15974 1 165 . 1 1 68 68 ASP H H 1 7.682 0.003 . 1 . . . . 184 d HN . 15974 1 166 . 1 1 68 68 ASP N N 15 116.997 0.064 . 1 . . . . 184 d N . 15974 1 167 . 1 1 69 69 GLY H H 1 8.592 0.003 . 1 . . . . 185 g HN . 15974 1 168 . 1 1 69 69 GLY CA C 13 45.512 0.345 . 1 . . . . 185 g CA . 15974 1 169 . 1 1 69 69 GLY N N 15 107.227 0.064 . 1 . . . . 185 g N . 15974 1 170 . 1 1 70 70 VAL H H 1 8.401 0.003 . 1 . . . . 186 v HN . 15974 1 171 . 1 1 70 70 VAL CA C 13 61.274 0.345 . 1 . . . . 186 v CA . 15974 1 172 . 1 1 70 70 VAL N N 15 117.764 0.064 . 1 . . . . 186 v N . 15974 1 173 . 1 1 71 71 VAL H H 1 8.879 0.003 . 1 . . . . 187 v HN . 15974 1 174 . 1 1 71 71 VAL N N 15 126.762 0.064 . 1 . . . . 187 v N . 15974 1 175 . 1 1 72 72 LEU H H 1 8.635 0.003 . 1 . . . . 188 l HN . 15974 1 176 . 1 1 72 72 LEU CA C 13 54.303 0.345 . 1 . . . . 188 l CA . 15974 1 177 . 1 1 72 72 LEU N N 15 128.005 0.064 . 1 . . . . 188 l N . 15974 1 178 . 1 1 73 73 PHE H H 1 9.517 0.003 . 1 . . . . 189 f HN . 15974 1 179 . 1 1 73 73 PHE CA C 13 57.049 0.345 . 1 . . . . 189 f CA . 15974 1 180 . 1 1 73 73 PHE N N 15 126.455 0.064 . 1 . . . . 189 f N . 15974 1 181 . 1 1 74 74 LYS H H 1 8.378 0.003 . 1 . . . . 190 k HN . 15974 1 182 . 1 1 74 74 LYS CA C 13 53.577 0.345 . 1 . . . . 190 k CA . 15974 1 183 . 1 1 74 74 LYS N N 15 115.942 0.064 . 1 . . . . 190 k N . 15974 1 184 . 1 1 75 75 LYS H H 1 7.931 0.003 . 1 . . . . 191 k HN . 15974 1 185 . 1 1 75 75 LYS CA C 13 55.783 0.345 . 1 . . . . 191 k CA . 15974 1 186 . 1 1 75 75 LYS N N 15 121.296 0.064 . 1 . . . . 191 k N . 15974 1 187 . 1 1 76 76 PHE H H 1 6.590 0.003 . 1 . . . . 192 f HN . 15974 1 188 . 1 1 76 76 PHE CA C 13 54.462 0.345 . 1 . . . . 192 f CA . 15974 1 189 . 1 1 76 76 PHE N N 15 113.434 0.064 . 1 . . . . 192 f N . 15974 1 190 . 1 1 77 77 ASP H H 1 8.850 0.003 . 1 . . . . 193 d HN . 15974 1 191 . 1 1 77 77 ASP CA C 13 56.028 0.345 . 1 . . . . 193 d CA . 15974 1 192 . 1 1 77 77 ASP N N 15 117.643 0.064 . 1 . . . . 193 d N . 15974 1 193 . 1 1 78 78 GLU H H 1 10.153 0.003 . 1 . . . . 194 e HN . 15974 1 194 . 1 1 78 78 GLU CA C 13 58.247 0.345 . 1 . . . . 194 e CA . 15974 1 195 . 1 1 78 78 GLU N N 15 123.557 0.064 . 1 . . . . 194 e N . 15974 1 196 . 1 1 79 79 GLY H H 1 7.735 0.003 . 1 . . . . 195 g HN . 15974 1 197 . 1 1 79 79 GLY CA C 13 46.548 0.345 . 1 . . . . 195 g CA . 15974 1 198 . 1 1 79 79 GLY N N 15 108.948 0.064 . 1 . . . . 195 g N . 15974 1 199 . 1 1 80 80 ARG H H 1 7.184 0.003 . 1 . . . . 196 r HN . 15974 1 200 . 1 1 80 80 ARG CA C 13 58.215 0.345 . 1 . . . . 196 r CA . 15974 1 201 . 1 1 80 80 ARG N N 15 121.147 0.064 . 1 . . . . 196 r N . 15974 1 202 . 1 1 81 81 ASN H H 1 9.182 0.003 . 1 . . . . 197 n HN . 15974 1 203 . 1 1 81 81 ASN CA C 13 53.714 0.345 . 1 . . . . 197 n CA . 15974 1 204 . 1 1 81 81 ASN N N 15 121.628 0.064 . 1 . . . . 197 n N . 15974 1 205 . 1 1 82 82 ASN H H 1 9.033 0.003 . 1 . . . . 198 n HN . 15974 1 206 . 1 1 82 82 ASN CA C 13 52.479 0.345 . 1 . . . . 198 n CA . 15974 1 207 . 1 1 82 82 ASN N N 15 123.273 0.064 . 1 . . . . 198 n N . 15974 1 208 . 1 1 83 83 PHE H H 1 8.323 0.003 . 1 . . . . 199 f HN . 15974 1 209 . 1 1 83 83 PHE CA C 13 58.957 0.345 . 1 . . . . 199 f CA . 15974 1 210 . 1 1 83 83 PHE N N 15 124.817 0.064 . 1 . . . . 199 f N . 15974 1 211 . 1 1 84 84 GLU H H 1 7.354 0.003 . 1 . . . . 200 e HN . 15974 1 212 . 1 1 84 84 GLU CA C 13 54.908 0.345 . 1 . . . . 200 e CA . 15974 1 213 . 1 1 84 84 GLU N N 15 128.486 0.064 . 1 . . . . 200 e N . 15974 1 214 . 1 1 85 85 GLY H H 1 6.932 0.003 . 1 . . . . 201 g HN . 15974 1 215 . 1 1 85 85 GLY CA C 13 43.356 0.345 . 1 . . . . 201 g CA . 15974 1 216 . 1 1 85 85 GLY N N 15 108.389 0.064 . 1 . . . . 201 g N . 15974 1 217 . 1 1 86 86 GLU H H 1 8.336 0.003 . 1 . . . . 202 e HN . 15974 1 218 . 1 1 86 86 GLU CA C 13 56.160 0.345 . 1 . . . . 202 e CA . 15974 1 219 . 1 1 86 86 GLU N N 15 120.356 0.064 . 1 . . . . 202 e N . 15974 1 220 . 1 1 87 87 VAL H H 1 9.029 0.003 . 1 . . . . 203 v HN . 15974 1 221 . 1 1 87 87 VAL CA C 13 64.378 0.345 . 1 . . . . 203 v CA . 15974 1 222 . 1 1 87 87 VAL N N 15 126.416 0.064 . 1 . . . . 203 v N . 15974 1 223 . 1 1 88 88 THR H H 1 7.168 0.003 . 1 . . . . 204 t HN . 15974 1 224 . 1 1 88 88 THR CA C 13 58.017 0.345 . 1 . . . . 204 t CA . 15974 1 225 . 1 1 88 88 THR N N 15 117.666 0.064 . 1 . . . . 204 t N . 15974 1 226 . 1 1 89 89 LYS H H 1 9.280 0.003 . 1 . . . . 205 k HN . 15974 1 227 . 1 1 89 89 LYS CA C 13 60.760 0.345 . 1 . . . . 205 k CA . 15974 1 228 . 1 1 89 89 LYS N N 15 124.035 0.064 . 1 . . . . 205 k N . 15974 1 229 . 1 1 90 90 GLU H H 1 9.048 0.003 . 1 . . . . 206 e HN . 15974 1 230 . 1 1 90 90 GLU N N 15 116.601 0.064 . 1 . . . . 206 e N . 15974 1 231 . 1 1 91 91 ASN H H 1 7.946 0.003 . 1 . . . . 207 n HN . 15974 1 232 . 1 1 91 91 ASN CA C 13 55.458 0.345 . 1 . . . . 207 n CA . 15974 1 233 . 1 1 91 91 ASN N N 15 118.078 0.064 . 1 . . . . 207 n N . 15974 1 234 . 1 1 92 92 LEU H H 1 8.483 0.003 . 1 . . . . 208 l HN . 15974 1 235 . 1 1 92 92 LEU CA C 13 57.627 0.345 . 1 . . . . 208 l CA . 15974 1 236 . 1 1 92 92 LEU N N 15 121.473 0.064 . 1 . . . . 208 l N . 15974 1 237 . 1 1 93 93 LEU H H 1 8.424 0.003 . 1 . . . . 209 l HN . 15974 1 238 . 1 1 93 93 LEU CA C 13 59.102 0.345 . 1 . . . . 209 l CA . 15974 1 239 . 1 1 93 93 LEU N N 15 120.062 0.064 . 1 . . . . 209 l N . 15974 1 240 . 1 1 94 94 ASP H H 1 7.598 0.003 . 1 . . . . 210 d HN . 15974 1 241 . 1 1 94 94 ASP CA C 13 57.739 0.345 . 1 . . . . 210 d CA . 15974 1 242 . 1 1 94 94 ASP N N 15 118.751 0.064 . 1 . . . . 210 d N . 15974 1 243 . 1 1 95 95 PHE H H 1 7.853 0.003 . 1 . . . . 211 f HN . 15974 1 244 . 1 1 95 95 PHE CA C 13 60.356 0.345 . 1 . . . . 211 f CA . 15974 1 245 . 1 1 95 95 PHE N N 15 120.689 0.064 . 1 . . . . 211 f N . 15974 1 246 . 1 1 96 96 ILE H H 1 8.705 0.003 . 1 . . . . 212 i HN . 15974 1 247 . 1 1 96 96 ILE CA C 13 65.478 0.345 . 1 . . . . 212 i CA . 15974 1 248 . 1 1 96 96 ILE N N 15 121.200 0.064 . 1 . . . . 212 i N . 15974 1 249 . 1 1 97 97 LYS H H 1 8.167 0.003 . 1 . . . . 213 k HN . 15974 1 250 . 1 1 97 97 LYS CA C 13 59.270 0.345 . 1 . . . . 213 k CA . 15974 1 251 . 1 1 97 97 LYS N N 15 117.848 0.064 . 1 . . . . 213 k N . 15974 1 252 . 1 1 98 98 HIS H H 1 7.803 0.003 . 1 . . . . 214 h HN . 15974 1 253 . 1 1 98 98 HIS CA C 13 58.277 0.345 . 1 . . . . 214 h CA . 15974 1 254 . 1 1 98 98 HIS N N 15 113.703 0.064 . 1 . . . . 214 h N . 15974 1 255 . 1 1 99 99 ASN H H 1 7.252 0.003 . 1 . . . . 215 n HN . 15974 1 256 . 1 1 99 99 ASN CA C 13 54.415 0.345 . 1 . . . . 215 n CA . 15974 1 257 . 1 1 99 99 ASN N N 15 114.181 0.064 . 1 . . . . 215 n N . 15974 1 258 . 1 1 100 100 GLN H H 1 7.580 0.003 . 1 . . . . 216 q HN . 15974 1 259 . 1 1 100 100 GLN CA C 13 57.319 0.345 . 1 . . . . 216 q CA . 15974 1 260 . 1 1 100 100 GLN N N 15 115.084 0.064 . 1 . . . . 216 q N . 15974 1 261 . 1 1 101 101 LEU H H 1 7.396 0.003 . 1 . . . . 217 l HN . 15974 1 262 . 1 1 101 101 LEU CA C 13 51.904 0.345 . 1 . . . . 217 l CA . 15974 1 263 . 1 1 101 101 LEU N N 15 119.539 0.064 . 1 . . . . 217 l N . 15974 1 264 . 1 1 103 103 LEU H H 1 9.316 0.003 . 1 . . . . 219 l HN . 15974 1 265 . 1 1 103 103 LEU CA C 13 57.844 0.345 . 1 . . . . 219 l CA . 15974 1 266 . 1 1 103 103 LEU N N 15 123.036 0.064 . 1 . . . . 219 l N . 15974 1 267 . 1 1 104 104 VAL H H 1 7.638 0.003 . 1 . . . . 220 v HN . 15974 1 268 . 1 1 104 104 VAL CA C 13 59.453 0.345 . 1 . . . . 220 v CA . 15974 1 269 . 1 1 104 104 VAL N N 15 109.842 0.064 . 1 . . . . 220 v N . 15974 1 270 . 1 1 105 105 ILE H H 1 8.647 0.003 . 1 . . . . 221 i HN . 15974 1 271 . 1 1 105 105 ILE CA C 13 60.084 0.345 . 1 . . . . 221 i CA . 15974 1 272 . 1 1 105 105 ILE N N 15 124.595 0.064 . 1 . . . . 221 i N . 15974 1 273 . 1 1 106 106 GLU H H 1 8.306 0.003 . 1 . . . . 222 e HN . 15974 1 274 . 1 1 106 106 GLU CA C 13 54.835 0.345 . 1 . . . . 222 e CA . 15974 1 275 . 1 1 106 106 GLU N N 15 127.843 0.064 . 1 . . . . 222 e N . 15974 1 276 . 1 1 107 107 PHE H H 1 8.636 0.003 . 1 . . . . 223 f HN . 15974 1 277 . 1 1 107 107 PHE CA C 13 59.241 0.345 . 1 . . . . 223 f CA . 15974 1 278 . 1 1 107 107 PHE N N 15 128.976 0.064 . 1 . . . . 223 f N . 15974 1 279 . 1 1 109 109 GLU H H 1 8.896 0.003 . 1 . . . . 225 e HN . 15974 1 280 . 1 1 109 109 GLU CA C 13 59.296 0.345 . 1 . . . . 225 e CA . 15974 1 281 . 1 1 109 109 GLU N N 15 120.147 0.064 . 1 . . . . 225 e N . 15974 1 282 . 1 1 110 110 GLN H H 1 7.854 0.003 . 1 . . . . 226 q HN . 15974 1 283 . 1 1 110 110 GLN CA C 13 58.152 0.345 . 1 . . . . 226 q CA . 15974 1 284 . 1 1 110 110 GLN N N 15 114.547 0.064 . 1 . . . . 226 q N . 15974 1 285 . 1 1 111 111 THR H H 1 7.428 0.003 . 1 . . . . 227 t HN . 15974 1 286 . 1 1 111 111 THR CA C 13 61.787 0.345 . 1 . . . . 227 t CA . 15974 1 287 . 1 1 111 111 THR N N 15 108.817 0.064 . 1 . . . . 227 t N . 15974 1 288 . 1 1 112 112 ALA H H 1 7.616 0.003 . 1 . . . . 228 a HN . 15974 1 289 . 1 1 112 112 ALA CA C 13 56.793 0.345 . 1 . . . . 228 a CA . 15974 1 290 . 1 1 112 112 ALA N N 15 125.461 0.064 . 1 . . . . 228 a N . 15974 1 291 . 1 1 114 114 LYS H H 1 7.177 0.003 . 1 . . . . 230 k HN . 15974 1 292 . 1 1 114 114 LYS CA C 13 57.069 0.345 . 1 . . . . 230 k CA . 15974 1 293 . 1 1 114 114 LYS N N 15 115.633 0.064 . 1 . . . . 230 k N . 15974 1 294 . 1 1 115 115 ILE H H 1 7.563 0.003 . 1 . . . . 231 i HN . 15974 1 295 . 1 1 115 115 ILE CA C 13 64.310 0.345 . 1 . . . . 231 i CA . 15974 1 296 . 1 1 115 115 ILE N N 15 118.863 0.064 . 1 . . . . 231 i N . 15974 1 297 . 1 1 116 116 PHE H H 1 7.885 0.003 . 1 . . . . 232 f HN . 15974 1 298 . 1 1 116 116 PHE CA C 13 59.024 0.345 . 1 . . . . 232 f CA . 15974 1 299 . 1 1 116 116 PHE N N 15 115.406 0.064 . 1 . . . . 232 f N . 15974 1 300 . 1 1 117 117 GLY H H 1 7.565 0.003 . 1 . . . . 233 g HN . 15974 1 301 . 1 1 117 117 GLY CA C 13 45.474 0.345 . 1 . . . . 233 g CA . 15974 1 302 . 1 1 117 117 GLY N N 15 106.707 0.064 . 1 . . . . 233 g N . 15974 1 303 . 1 1 118 118 GLY H H 1 7.409 0.003 . 1 . . . . 234 g HN . 15974 1 304 . 1 1 118 118 GLY CA C 13 44.819 0.345 . 1 . . . . 234 g CA . 15974 1 305 . 1 1 118 118 GLY N N 15 107.890 0.064 . 1 . . . . 234 g N . 15974 1 306 . 1 1 119 119 GLU H H 1 8.376 0.003 . 1 . . . . 235 e HN . 15974 1 307 . 1 1 119 119 GLU CA C 13 57.868 0.345 . 1 . . . . 235 e CA . 15974 1 308 . 1 1 119 119 GLU N N 15 117.566 0.064 . 1 . . . . 235 e N . 15974 1 309 . 1 1 120 120 ILE H H 1 7.757 0.003 . 1 . . . . 236 i HN . 15974 1 310 . 1 1 120 120 ILE CA C 13 61.874 0.345 . 1 . . . . 236 i CA . 15974 1 311 . 1 1 120 120 ILE N N 15 119.550 0.064 . 1 . . . . 236 i N . 15974 1 312 . 1 1 121 121 LYS H H 1 8.475 0.003 . 1 . . . . 237 k HN . 15974 1 313 . 1 1 121 121 LYS CA C 13 55.616 0.345 . 1 . . . . 237 k CA . 15974 1 314 . 1 1 121 121 LYS N N 15 125.375 0.064 . 1 . . . . 237 k N . 15974 1 315 . 1 1 122 122 THR H H 1 6.766 0.003 . 1 . . . . 238 t HN . 15974 1 316 . 1 1 122 122 THR CA C 13 62.016 0.345 . 1 . . . . 238 t CA . 15974 1 317 . 1 1 122 122 THR N N 15 115.882 0.064 . 1 . . . . 238 t N . 15974 1 318 . 1 1 123 123 HIS H H 1 8.797 0.003 . 1 . . . . 239 h HN . 15974 1 319 . 1 1 123 123 HIS CA C 13 53.584 0.345 . 1 . . . . 239 h CA . 15974 1 320 . 1 1 123 123 HIS N N 15 125.682 0.064 . 1 . . . . 239 h N . 15974 1 321 . 1 1 124 124 ILE H H 1 9.191 0.003 . 1 . . . . 240 i HN . 15974 1 322 . 1 1 124 124 ILE CA C 13 58.868 0.345 . 1 . . . . 240 i CA . 15974 1 323 . 1 1 124 124 ILE N N 15 122.571 0.064 . 1 . . . . 240 i N . 15974 1 324 . 1 1 125 125 LEU H H 1 8.991 0.003 . 1 . . . . 241 l HN . 15974 1 325 . 1 1 125 125 LEU CA C 13 53.694 0.345 . 1 . . . . 241 l CA . 15974 1 326 . 1 1 125 125 LEU N N 15 128.576 0.064 . 1 . . . . 241 l N . 15974 1 327 . 1 1 126 126 LEU H H 1 8.652 0.003 . 1 . . . . 242 l HN . 15974 1 328 . 1 1 126 126 LEU CA C 13 52.903 0.345 . 1 . . . . 242 l CA . 15974 1 329 . 1 1 126 126 LEU N N 15 123.265 0.064 . 1 . . . . 242 l N . 15974 1 330 . 1 1 127 127 PHE H H 1 9.049 0.003 . 1 . . . . 243 f HN . 15974 1 331 . 1 1 127 127 PHE CA C 13 56.649 0.345 . 1 . . . . 243 f CA . 15974 1 332 . 1 1 127 127 PHE N N 15 127.243 0.064 . 1 . . . . 243 f N . 15974 1 333 . 1 1 128 128 LEU H H 1 8.946 0.003 . 1 . . . . 244 l HN . 15974 1 334 . 1 1 128 128 LEU CA C 13 50.994 0.345 . 1 . . . . 244 l CA . 15974 1 335 . 1 1 128 128 LEU N N 15 126.870 0.064 . 1 . . . . 244 l N . 15974 1 336 . 1 1 130 130 LYS H H 1 8.213 0.003 . 1 . . . . 246 k HN . 15974 1 337 . 1 1 130 130 LYS CA C 13 58.693 0.345 . 1 . . . . 246 k CA . 15974 1 338 . 1 1 130 130 LYS N N 15 123.812 0.064 . 1 . . . . 246 k N . 15974 1 339 . 1 1 131 131 SER H H 1 7.575 0.003 . 1 . . . . 247 s HN . 15974 1 340 . 1 1 131 131 SER CA C 13 58.340 0.345 . 1 . . . . 247 s CA . 15974 1 341 . 1 1 131 131 SER N N 15 108.212 0.064 . 1 . . . . 247 s N . 15974 1 342 . 1 1 132 132 VAL H H 1 7.434 0.003 . 1 . . . . 248 v HN . 15974 1 343 . 1 1 132 132 VAL CA C 13 61.882 0.345 . 1 . . . . 248 v CA . 15974 1 344 . 1 1 132 132 VAL N N 15 122.210 0.064 . 1 . . . . 248 v N . 15974 1 345 . 1 1 133 133 SER H H 1 8.341 0.003 . 1 . . . . 249 s HN . 15974 1 346 . 1 1 133 133 SER CA C 13 59.770 0.345 . 1 . . . . 249 s CA . 15974 1 347 . 1 1 133 133 SER N N 15 120.161 0.064 . 1 . . . . 249 s N . 15974 1 348 . 1 1 134 134 ASP H H 1 8.868 0.003 . 1 . . . . 250 d HN . 15974 1 349 . 1 1 134 134 ASP CA C 13 54.120 0.345 . 1 . . . . 250 d CA . 15974 1 350 . 1 1 134 134 ASP N N 15 122.175 0.064 . 1 . . . . 250 d N . 15974 1 351 . 1 1 135 135 TYR H H 1 7.566 0.003 . 1 . . . . 251 y HN . 15974 1 352 . 1 1 135 135 TYR CA C 13 62.723 0.345 . 1 . . . . 251 y CA . 15974 1 353 . 1 1 135 135 TYR N N 15 120.506 0.064 . 1 . . . . 251 y N . 15974 1 354 . 1 1 136 136 ASP H H 1 8.579 0.003 . 1 . . . . 252 d HN . 15974 1 355 . 1 1 136 136 ASP CA C 13 57.481 0.345 . 1 . . . . 252 d CA . 15974 1 356 . 1 1 136 136 ASP N N 15 115.273 0.064 . 1 . . . . 252 d N . 15974 1 357 . 1 1 137 137 GLY H H 1 7.762 0.003 . 1 . . . . 253 g HN . 15974 1 358 . 1 1 137 137 GLY CA C 13 47.036 0.345 . 1 . . . . 253 g CA . 15974 1 359 . 1 1 137 137 GLY N N 15 110.041 0.064 . 1 . . . . 253 g N . 15974 1 360 . 1 1 138 138 LYS H H 1 7.997 0.003 . 1 . . . . 254 k HN . 15974 1 361 . 1 1 138 138 LYS CA C 13 59.742 0.345 . 1 . . . . 254 k CA . 15974 1 362 . 1 1 138 138 LYS N N 15 123.122 0.064 . 1 . . . . 254 k N . 15974 1 363 . 1 1 139 139 LEU H H 1 8.049 0.003 . 1 . . . . 255 l HN . 15974 1 364 . 1 1 139 139 LEU CA C 13 57.491 0.345 . 1 . . . . 255 l CA . 15974 1 365 . 1 1 139 139 LEU N N 15 120.067 0.064 . 1 . . . . 255 l N . 15974 1 366 . 1 1 140 140 SER H H 1 8.277 0.003 . 1 . . . . 256 s HN . 15974 1 367 . 1 1 140 140 SER CA C 13 62.165 0.345 . 1 . . . . 256 s CA . 15974 1 368 . 1 1 140 140 SER N N 15 114.597 0.064 . 1 . . . . 256 s N . 15974 1 369 . 1 1 141 141 ASN H H 1 7.962 0.003 . 1 . . . . 257 n HN . 15974 1 370 . 1 1 141 141 ASN N N 15 121.668 0.064 . 1 . . . . 257 n N . 15974 1 371 . 1 1 142 142 PHE H H 1 7.694 0.003 . 1 . . . . 258 f HN . 15974 1 372 . 1 1 142 142 PHE CA C 13 61.403 0.345 . 1 . . . . 258 f CA . 15974 1 373 . 1 1 142 142 PHE N N 15 121.741 0.064 . 1 . . . . 258 f N . 15974 1 374 . 1 1 143 143 LYS H H 1 8.451 0.003 . 1 . . . . 259 k HN . 15974 1 375 . 1 1 143 143 LYS N N 15 117.577 0.064 . 1 . . . . 259 k N . 15974 1 376 . 1 1 144 144 THR H H 1 8.186 0.003 . 1 . . . . 260 t HN . 15974 1 377 . 1 1 144 144 THR CA C 13 66.832 0.345 . 1 . . . . 260 t CA . 15974 1 378 . 1 1 144 144 THR N N 15 116.007 0.064 . 1 . . . . 260 t N . 15974 1 379 . 1 1 145 145 ALA H H 1 7.515 0.003 . 1 . . . . 261 a HN . 15974 1 380 . 1 1 145 145 ALA N N 15 123.834 0.064 . 1 . . . . 261 a N . 15974 1 381 . 1 1 146 146 ALA H H 1 7.305 0.003 . 1 . . . . 262 a HN . 15974 1 382 . 1 1 146 146 ALA CA C 13 54.099 0.345 . 1 . . . . 262 a CA . 15974 1 383 . 1 1 146 146 ALA N N 15 119.601 0.064 . 1 . . . . 262 a N . 15974 1 384 . 1 1 147 147 GLU H H 1 7.018 0.003 . 1 . . . . 263 e HN . 15974 1 385 . 1 1 147 147 GLU N N 15 114.367 0.064 . 1 . . . . 263 e N . 15974 1 386 . 1 1 148 148 SER H H 1 7.431 0.003 . 1 . . . . 264 s HN . 15974 1 387 . 1 1 148 148 SER CA C 13 60.691 0.345 . 1 . . . . 264 s CA . 15974 1 388 . 1 1 148 148 SER N N 15 111.951 0.064 . 1 . . . . 264 s N . 15974 1 389 . 1 1 149 149 PHE H H 1 7.186 0.003 . 1 . . . . 265 f HN . 15974 1 390 . 1 1 149 149 PHE CA C 13 57.792 0.345 . 1 . . . . 265 f CA . 15974 1 391 . 1 1 149 149 PHE N N 15 115.757 0.064 . 1 . . . . 265 f N . 15974 1 392 . 1 1 150 150 LYS H H 1 7.200 0.003 . 1 . . . . 266 k HN . 15974 1 393 . 1 1 150 150 LYS CA C 13 58.585 0.345 . 1 . . . . 266 k CA . 15974 1 394 . 1 1 150 150 LYS N N 15 123.803 0.064 . 1 . . . . 266 k N . 15974 1 395 . 1 1 151 151 GLY H H 1 9.620 0.003 . 1 . . . . 267 g HN . 15974 1 396 . 1 1 151 151 GLY CA C 13 45.508 0.345 . 1 . . . . 267 g CA . 15974 1 397 . 1 1 151 151 GLY N N 15 115.315 0.064 . 1 . . . . 267 g N . 15974 1 398 . 1 1 152 152 LYS H H 1 8.340 0.003 . 1 . . . . 268 k HN . 15974 1 399 . 1 1 152 152 LYS CA C 13 57.151 0.345 . 1 . . . . 268 k CA . 15974 1 400 . 1 1 152 152 LYS N N 15 118.786 0.064 . 1 . . . . 268 k N . 15974 1 401 . 1 1 153 153 ILE H H 1 7.816 0.003 . 1 . . . . 269 i HN . 15974 1 402 . 1 1 153 153 ILE CA C 13 60.316 0.345 . 1 . . . . 269 i CA . 15974 1 403 . 1 1 153 153 ILE N N 15 116.451 0.064 . 1 . . . . 269 i N . 15974 1 404 . 1 1 154 154 LEU H H 1 8.269 0.003 . 1 . . . . 270 l HN . 15974 1 405 . 1 1 154 154 LEU CA C 13 54.667 0.345 . 1 . . . . 270 l CA . 15974 1 406 . 1 1 154 154 LEU N N 15 129.712 0.064 . 1 . . . . 270 l N . 15974 1 407 . 1 1 155 155 PHE H H 1 9.190 0.003 . 1 . . . . 271 f HN . 15974 1 408 . 1 1 155 155 PHE CA C 13 56.602 0.345 . 1 . . . . 271 f CA . 15974 1 409 . 1 1 155 155 PHE N N 15 129.783 0.064 . 1 . . . . 271 f N . 15974 1 410 . 1 1 156 156 ILE H H 1 9.058 0.003 . 1 . . . . 272 i HN . 15974 1 411 . 1 1 156 156 ILE CA C 13 58.918 0.345 . 1 . . . . 272 i CA . 15974 1 412 . 1 1 156 156 ILE N N 15 123.846 0.064 . 1 . . . . 272 i N . 15974 1 413 . 1 1 157 157 PHE H H 1 8.869 0.003 . 1 . . . . 273 f HN . 15974 1 414 . 1 1 157 157 PHE CA C 13 54.617 0.345 . 1 . . . . 273 f CA . 15974 1 415 . 1 1 157 157 PHE N N 15 122.984 0.064 . 1 . . . . 273 f N . 15974 1 416 . 1 1 158 158 ILE H H 1 8.723 0.003 . 1 . . . . 274 i HN . 15974 1 417 . 1 1 158 158 ILE N N 15 122.057 0.064 . 1 . . . . 274 i N . 15974 1 418 . 1 1 159 159 ASP H H 1 8.351 0.003 . 1 . . . . 275 d HN . 15974 1 419 . 1 1 159 159 ASP N N 15 123.660 0.064 . 1 . . . . 275 d N . 15974 1 420 . 1 1 160 160 SER H H 1 7.501 0.003 . 1 . . . . 276 s HN . 15974 1 421 . 1 1 160 160 SER CA C 13 60.600 0.345 . 1 . . . . 276 s CA . 15974 1 422 . 1 1 160 160 SER N N 15 123.917 0.064 . 1 . . . . 276 s N . 15974 1 423 . 1 1 161 161 ASP H H 1 8.359 0.003 . 1 . . . . 277 d HN . 15974 1 424 . 1 1 161 161 ASP CA C 13 55.542 0.345 . 1 . . . . 277 d CA . 15974 1 425 . 1 1 161 161 ASP N N 15 119.459 0.064 . 1 . . . . 277 d N . 15974 1 426 . 1 1 162 162 HIS H H 1 7.191 0.003 . 1 . . . . 278 h HN . 15974 1 427 . 1 1 162 162 HIS CA C 13 54.658 0.345 . 1 . . . . 278 h CA . 15974 1 428 . 1 1 162 162 HIS N N 15 121.127 0.064 . 1 . . . . 278 h N . 15974 1 429 . 1 1 163 163 THR H H 1 7.978 0.003 . 1 . . . . 279 t HN . 15974 1 430 . 1 1 163 163 THR N N 15 121.813 0.064 . 1 . . . . 279 t N . 15974 1 431 . 1 1 164 164 ASP H H 1 10.688 0.003 . 1 . . . . 280 d HN . 15974 1 432 . 1 1 164 164 ASP CA C 13 56.720 0.345 . 1 . . . . 280 d CA . 15974 1 433 . 1 1 164 164 ASP N N 15 124.396 0.064 . 1 . . . . 280 d N . 15974 1 434 . 1 1 165 165 ASN H H 1 7.910 0.003 . 1 . . . . 281 n HN . 15974 1 435 . 1 1 165 165 ASN CA C 13 52.694 0.345 . 1 . . . . 281 n CA . 15974 1 436 . 1 1 165 165 ASN N N 15 114.954 0.064 . 1 . . . . 281 n N . 15974 1 437 . 1 1 166 166 GLN H H 1 7.605 0.003 . 1 . . . . 282 q HN . 15974 1 438 . 1 1 166 166 GLN CA C 13 59.569 0.345 . 1 . . . . 282 q CA . 15974 1 439 . 1 1 166 166 GLN N N 15 120.987 0.064 . 1 . . . . 282 q N . 15974 1 440 . 1 1 167 167 ARG H H 1 8.428 0.003 . 1 . . . . 283 r HN . 15974 1 441 . 1 1 167 167 ARG N N 15 117.933 0.064 . 1 . . . . 283 r N . 15974 1 442 . 1 1 168 168 ILE H H 1 7.671 0.003 . 1 . . . . 284 i HN . 15974 1 443 . 1 1 168 168 ILE CA C 13 61.043 0.345 . 1 . . . . 284 i CA . 15974 1 444 . 1 1 168 168 ILE N N 15 119.611 0.064 . 1 . . . . 284 i N . 15974 1 445 . 1 1 169 169 LEU H H 1 8.329 0.003 . 1 . . . . 285 l HN . 15974 1 446 . 1 1 169 169 LEU CA C 13 55.324 0.345 . 1 . . . . 285 l CA . 15974 1 447 . 1 1 169 169 LEU N N 15 119.370 0.064 . 1 . . . . 285 l N . 15974 1 448 . 1 1 170 170 GLU H H 1 7.193 0.003 . 1 . . . . 286 e HN . 15974 1 449 . 1 1 170 170 GLU N N 15 119.153 0.064 . 1 . . . . 286 e N . 15974 1 450 . 1 1 171 171 PHE H H 1 8.127 0.003 . 1 . . . . 287 f HN . 15974 1 451 . 1 1 171 171 PHE CA C 13 60.744 0.345 . 1 . . . . 287 f CA . 15974 1 452 . 1 1 171 171 PHE N N 15 121.800 0.064 . 1 . . . . 287 f N . 15974 1 453 . 1 1 172 172 PHE H H 1 7.517 0.003 . 1 . . . . 288 f HN . 15974 1 454 . 1 1 172 172 PHE CA C 13 59.555 0.345 . 1 . . . . 288 f CA . 15974 1 455 . 1 1 172 172 PHE N N 15 113.040 0.064 . 1 . . . . 288 f N . 15974 1 456 . 1 1 173 173 GLY H H 1 7.974 0.003 . 1 . . . . 289 g HN . 15974 1 457 . 1 1 173 173 GLY CA C 13 46.787 0.345 . 1 . . . . 289 g CA . 15974 1 458 . 1 1 173 173 GLY N N 15 110.739 0.064 . 1 . . . . 289 g N . 15974 1 459 . 1 1 174 174 LEU H H 1 7.720 0.003 . 1 . . . . 290 l HN . 15974 1 460 . 1 1 174 174 LEU N N 15 120.817 0.064 . 1 . . . . 290 l N . 15974 1 461 . 1 1 175 175 LYS H H 1 8.101 0.003 . 1 . . . . 291 k HN . 15974 1 462 . 1 1 175 175 LYS CA C 13 53.950 0.345 . 1 . . . . 291 k CA . 15974 1 463 . 1 1 175 175 LYS N N 15 119.119 0.064 . 1 . . . . 291 k N . 15974 1 464 . 1 1 176 176 LYS H H 1 9.008 0.003 . 1 . . . . 292 k HN . 15974 1 465 . 1 1 176 176 LYS N N 15 124.031 0.064 . 1 . . . . 292 k N . 15974 1 466 . 1 1 177 177 GLU H H 1 9.392 0.003 . 1 . . . . 293 e HN . 15974 1 467 . 1 1 177 177 GLU CA C 13 58.812 0.345 . 1 . . . . 293 e CA . 15974 1 468 . 1 1 177 177 GLU N N 15 116.569 0.064 . 1 . . . . 293 e N . 15974 1 469 . 1 1 178 178 GLU H H 1 7.608 0.003 . 1 . . . . 294 e HN . 15974 1 470 . 1 1 178 178 GLU CA C 13 55.814 0.345 . 1 . . . . 294 e CA . 15974 1 471 . 1 1 178 178 GLU N N 15 118.151 0.064 . 1 . . . . 294 e N . 15974 1 472 . 1 1 179 179 CYS H H 1 7.036 0.003 . 1 . . . . 295 c HN . 15974 1 473 . 1 1 179 179 CYS CA C 13 58.361 0.345 . 1 . . . . 295 c CA . 15974 1 474 . 1 1 179 179 CYS N N 15 117.667 0.064 . 1 . . . . 295 c N . 15974 1 475 . 1 1 181 181 ALA H H 1 8.382 0.003 . 1 . . . . 297 a HN . 15974 1 476 . 1 1 181 181 ALA CA C 13 51.566 0.345 . 1 . . . . 297 a CA . 15974 1 477 . 1 1 181 181 ALA N N 15 123.043 0.064 . 1 . . . . 297 a N . 15974 1 478 . 1 1 182 182 VAL H H 1 8.604 0.003 . 1 . . . . 298 v HN . 15974 1 479 . 1 1 182 182 VAL CA C 13 59.382 0.345 . 1 . . . . 298 v CA . 15974 1 480 . 1 1 182 182 VAL N N 15 118.135 0.064 . 1 . . . . 298 v N . 15974 1 481 . 1 1 183 183 ARG H H 1 8.916 0.003 . 1 . . . . 299 r HN . 15974 1 482 . 1 1 183 183 ARG CA C 13 53.018 0.345 . 1 . . . . 299 r CA . 15974 1 483 . 1 1 183 183 ARG N N 15 123.088 0.064 . 1 . . . . 299 r N . 15974 1 484 . 1 1 184 184 LEU H H 1 8.689 0.003 . 1 . . . . 300 l HN . 15974 1 485 . 1 1 184 184 LEU CA C 13 54.187 0.345 . 1 . . . . 300 l CA . 15974 1 486 . 1 1 184 184 LEU N N 15 125.144 0.064 . 1 . . . . 300 l N . 15974 1 487 . 1 1 185 185 ILE H H 1 9.564 0.003 . 1 . . . . 301 i HN . 15974 1 488 . 1 1 185 185 ILE CA C 13 58.588 0.345 . 1 . . . . 301 i CA . 15974 1 489 . 1 1 185 185 ILE N N 15 121.813 0.064 . 1 . . . . 301 i N . 15974 1 490 . 1 1 186 186 THR H H 1 8.726 0.003 . 1 . . . . 302 t HN . 15974 1 491 . 1 1 186 186 THR CA C 13 59.152 0.345 . 1 . . . . 302 t CA . 15974 1 492 . 1 1 186 186 THR N N 15 114.061 0.064 . 1 . . . . 302 t N . 15974 1 493 . 1 1 187 187 LEU H H 1 8.564 0.003 . 1 . . . . 303 l HN . 15974 1 494 . 1 1 187 187 LEU CA C 13 54.365 0.345 . 1 . . . . 303 l CA . 15974 1 495 . 1 1 187 187 LEU N N 15 125.042 0.064 . 1 . . . . 303 l N . 15974 1 496 . 1 1 188 188 GLU H H 1 7.514 0.003 . 1 . . . . 304 e HN . 15974 1 497 . 1 1 188 188 GLU CA C 13 56.586 0.345 . 1 . . . . 304 e CA . 15974 1 498 . 1 1 188 188 GLU N N 15 123.343 0.064 . 1 . . . . 304 e N . 15974 1 499 . 1 1 189 189 GLU H H 1 8.455 0.003 . 1 . . . . 305 e HN . 15974 1 500 . 1 1 189 189 GLU CA C 13 59.251 0.345 . 1 . . . . 305 e CA . 15974 1 501 . 1 1 189 189 GLU N N 15 122.165 0.064 . 1 . . . . 305 e N . 15974 1 502 . 1 1 190 190 GLU H H 1 7.898 0.003 . 1 . . . . 306 e HN . 15974 1 503 . 1 1 190 190 GLU CA C 13 54.949 0.345 . 1 . . . . 306 e CA . 15974 1 504 . 1 1 190 190 GLU N N 15 116.276 0.064 . 1 . . . . 306 e N . 15974 1 505 . 1 1 191 191 MET H H 1 8.830 0.003 . 1 . . . . 307 m HN . 15974 1 506 . 1 1 191 191 MET CA C 13 56.144 0.345 . 1 . . . . 307 m CA . 15974 1 507 . 1 1 191 191 MET N N 15 123.727 0.064 . 1 . . . . 307 m N . 15974 1 508 . 1 1 192 192 THR H H 1 8.379 0.003 . 1 . . . . 308 t HN . 15974 1 509 . 1 1 192 192 THR CA C 13 62.318 0.345 . 1 . . . . 308 t CA . 15974 1 510 . 1 1 192 192 THR N N 15 121.817 0.064 . 1 . . . . 308 t N . 15974 1 511 . 1 1 193 193 LYS H H 1 8.566 0.003 . 1 . . . . 309 k HN . 15974 1 512 . 1 1 193 193 LYS CA C 13 55.026 0.345 . 1 . . . . 309 k CA . 15974 1 513 . 1 1 193 193 LYS N N 15 123.438 0.064 . 1 . . . . 309 k N . 15974 1 514 . 1 1 194 194 TYR H H 1 9.548 0.003 . 1 . . . . 310 y HN . 15974 1 515 . 1 1 194 194 TYR N N 15 119.468 0.064 . 1 . . . . 310 y N . 15974 1 516 . 1 1 195 195 LYS H H 1 9.161 0.003 . 1 . . . . 311 k HN . 15974 1 517 . 1 1 195 195 LYS CA C 13 52.592 0.345 . 1 . . . . 311 k CA . 15974 1 518 . 1 1 195 195 LYS N N 15 122.445 0.064 . 1 . . . . 311 k N . 15974 1 519 . 1 1 198 198 SER H H 1 7.482 0.003 . 1 . . . . 314 s HN . 15974 1 520 . 1 1 198 198 SER CA C 13 56.482 0.345 . 1 . . . . 314 s CA . 15974 1 521 . 1 1 198 198 SER N N 15 111.708 0.064 . 1 . . . . 314 s N . 15974 1 522 . 1 1 199 199 GLU H H 1 8.695 0.003 . 1 . . . . 315 e HN . 15974 1 523 . 1 1 199 199 GLU CA C 13 55.881 0.345 . 1 . . . . 315 e CA . 15974 1 524 . 1 1 199 199 GLU N N 15 122.859 0.064 . 1 . . . . 315 e N . 15974 1 525 . 1 1 200 200 GLU H H 1 8.226 0.003 . 1 . . . . 316 e HN . 15974 1 526 . 1 1 200 200 GLU CA C 13 57.401 0.345 . 1 . . . . 316 e CA . 15974 1 527 . 1 1 200 200 GLU N N 15 121.367 0.064 . 1 . . . . 316 e N . 15974 1 528 . 1 1 201 201 LEU H H 1 8.574 0.003 . 1 . . . . 317 l HN . 15974 1 529 . 1 1 201 201 LEU CA C 13 53.056 0.345 . 1 . . . . 317 l CA . 15974 1 530 . 1 1 201 201 LEU N N 15 125.387 0.064 . 1 . . . . 317 l N . 15974 1 531 . 1 1 202 202 THR H H 1 6.789 0.003 . 1 . . . . 318 t HN . 15974 1 532 . 1 1 202 202 THR CA C 13 59.382 0.345 . 1 . . . . 318 t CA . 15974 1 533 . 1 1 202 202 THR N N 15 108.240 0.064 . 1 . . . . 318 t N . 15974 1 534 . 1 1 203 203 ALA H H 1 9.234 0.003 . 1 . . . . 319 a HN . 15974 1 535 . 1 1 203 203 ALA CA C 13 56.183 0.345 . 1 . . . . 319 a CA . 15974 1 536 . 1 1 203 203 ALA N N 15 125.340 0.064 . 1 . . . . 319 a N . 15974 1 537 . 1 1 204 204 GLU H H 1 9.305 0.003 . 1 . . . . 320 e HN . 15974 1 538 . 1 1 204 204 GLU CA C 13 60.364 0.345 . 1 . . . . 320 e CA . 15974 1 539 . 1 1 204 204 GLU N N 15 118.241 0.064 . 1 . . . . 320 e N . 15974 1 540 . 1 1 205 205 ARG H H 1 7.635 0.003 . 1 . . . . 321 r HN . 15974 1 541 . 1 1 205 205 ARG CA C 13 57.917 0.345 . 1 . . . . 321 r CA . 15974 1 542 . 1 1 205 205 ARG N N 15 119.609 0.064 . 1 . . . . 321 r N . 15974 1 543 . 1 1 206 206 ILE H H 1 8.485 0.003 . 1 . . . . 322 i HN . 15974 1 544 . 1 1 206 206 ILE CA C 13 65.413 0.345 . 1 . . . . 322 i CA . 15974 1 545 . 1 1 206 206 ILE N N 15 121.726 0.064 . 1 . . . . 322 i N . 15974 1 546 . 1 1 207 207 THR H H 1 8.567 0.003 . 1 . . . . 323 t HN . 15974 1 547 . 1 1 207 207 THR N N 15 116.897 0.064 . 1 . . . . 323 t N . 15974 1 548 . 1 1 208 208 GLU H H 1 8.016 0.003 . 1 . . . . 324 e HN . 15974 1 549 . 1 1 208 208 GLU CA C 13 59.877 0.345 . 1 . . . . 324 e CA . 15974 1 550 . 1 1 208 208 GLU N N 15 121.638 0.064 . 1 . . . . 324 e N . 15974 1 551 . 1 1 209 209 PHE H H 1 7.884 0.003 . 1 . . . . 325 f HN . 15974 1 552 . 1 1 209 209 PHE CA C 13 55.511 0.345 . 1 . . . . 325 f CA . 15974 1 553 . 1 1 209 209 PHE N N 15 119.832 0.064 . 1 . . . . 325 f N . 15974 1 554 . 1 1 210 210 CYS H H 1 7.697 0.003 . 1 . . . . 326 c HN . 15974 1 555 . 1 1 210 210 CYS CA C 13 64.370 0.345 . 1 . . . . 326 c CA . 15974 1 556 . 1 1 210 210 CYS N N 15 116.039 0.064 . 1 . . . . 326 c N . 15974 1 557 . 1 1 211 211 HIS H H 1 8.571 0.003 . 1 . . . . 327 h HN . 15974 1 558 . 1 1 211 211 HIS CA C 13 60.323 0.345 . 1 . . . . 327 h CA . 15974 1 559 . 1 1 211 211 HIS N N 15 118.010 0.064 . 1 . . . . 327 h N . 15974 1 560 . 1 1 212 212 ARG H H 1 8.707 0.003 . 1 . . . . 328 r HN . 15974 1 561 . 1 1 212 212 ARG CA C 13 59.947 0.345 . 1 . . . . 328 r CA . 15974 1 562 . 1 1 212 212 ARG N N 15 118.831 0.064 . 1 . . . . 328 r N . 15974 1 563 . 1 1 213 213 PHE H H 1 8.268 0.003 . 1 . . . . 329 f HN . 15974 1 564 . 1 1 213 213 PHE CA C 13 56.323 0.345 . 1 . . . . 329 f CA . 15974 1 565 . 1 1 213 213 PHE N N 15 120.405 0.064 . 1 . . . . 329 f N . 15974 1 566 . 1 1 214 214 LEU H H 1 8.167 0.003 . 1 . . . . 330 l HN . 15974 1 567 . 1 1 214 214 LEU CA C 13 57.531 0.345 . 1 . . . . 330 l CA . 15974 1 568 . 1 1 214 214 LEU N N 15 123.563 0.064 . 1 . . . . 330 l N . 15974 1 569 . 1 1 215 215 GLU H H 1 7.705 0.003 . 1 . . . . 331 e HN . 15974 1 570 . 1 1 215 215 GLU CA C 13 56.206 0.345 . 1 . . . . 331 e CA . 15974 1 571 . 1 1 215 215 GLU N N 15 116.305 0.064 . 1 . . . . 331 e N . 15974 1 572 . 1 1 216 216 GLY H H 1 7.686 0.003 . 1 . . . . 332 g HN . 15974 1 573 . 1 1 216 216 GLY CA C 13 46.447 0.345 . 1 . . . . 332 g CA . 15974 1 574 . 1 1 216 216 GLY N N 15 108.487 0.064 . 1 . . . . 332 g N . 15974 1 575 . 1 1 217 217 LYS H H 1 7.949 0.003 . 1 . . . . 333 k HN . 15974 1 576 . 1 1 217 217 LYS CA C 13 56.128 0.345 . 1 . . . . 333 k CA . 15974 1 577 . 1 1 217 217 LYS N N 15 116.568 0.064 . 1 . . . . 333 k N . 15974 1 578 . 1 1 218 218 ILE H H 1 7.831 0.003 . 1 . . . . 334 i HN . 15974 1 579 . 1 1 218 218 ILE CA C 13 58.759 0.345 . 1 . . . . 334 i CA . 15974 1 580 . 1 1 218 218 ILE N N 15 118.578 0.064 . 1 . . . . 334 i N . 15974 1 581 . 1 1 219 219 LYS H H 1 8.660 0.003 . 1 . . . . 335 k HN . 15974 1 582 . 1 1 219 219 LYS CA C 13 54.382 0.345 . 1 . . . . 335 k CA . 15974 1 583 . 1 1 219 219 LYS N N 15 128.120 0.064 . 1 . . . . 335 k N . 15974 1 584 . 1 1 221 221 HIS H H 1 8.423 0.003 . 1 . . . . 337 h HN . 15974 1 585 . 1 1 221 221 HIS CA C 13 57.245 0.345 . 1 . . . . 337 h CA . 15974 1 586 . 1 1 221 221 HIS N N 15 120.443 0.064 . 1 . . . . 337 h N . 15974 1 587 . 1 1 222 222 LEU H H 1 7.770 0.003 . 1 . . . . 338 l HN . 15974 1 588 . 1 1 222 222 LEU CA C 13 53.557 0.345 . 1 . . . . 338 l CA . 15974 1 589 . 1 1 222 222 LEU N N 15 118.691 0.064 . 1 . . . . 338 l N . 15974 1 590 . 1 1 223 223 MET H H 1 7.672 0.003 . 1 . . . . 339 m HN . 15974 1 591 . 1 1 223 223 MET CA C 13 55.786 0.345 . 1 . . . . 339 m CA . 15974 1 592 . 1 1 223 223 MET N N 15 120.342 0.064 . 1 . . . . 339 m N . 15974 1 593 . 1 1 224 224 SER H H 1 8.115 0.003 . 1 . . . . 340 s HN . 15974 1 594 . 1 1 224 224 SER CA C 13 58.394 0.345 . 1 . . . . 340 s CA . 15974 1 595 . 1 1 224 224 SER N N 15 116.249 0.064 . 1 . . . . 340 s N . 15974 1 596 . 1 1 225 225 GLN H H 1 8.229 0.003 . 1 . . . . 341 q HN . 15974 1 597 . 1 1 225 225 GLN N N 15 121.190 0.064 . 1 . . . . 341 q N . 15974 1 598 . 1 1 226 226 GLU H H 1 7.910 0.003 . 1 . . . . 342 e HN . 15974 1 599 . 1 1 226 226 GLU CA C 13 57.319 0.345 . 1 . . . . 342 e CA . 15974 1 600 . 1 1 226 226 GLU N N 15 120.578 0.064 . 1 . . . . 342 e N . 15974 1 601 . 1 1 227 227 LEU H H 1 8.062 0.003 . 1 . . . . 343 l HN . 15974 1 602 . 1 1 227 227 LEU CA C 13 55.122 0.345 . 1 . . . . 343 l CA . 15974 1 603 . 1 1 227 227 LEU N N 15 125.128 0.064 . 1 . . . . 343 l N . 15974 1 604 . 1 1 229 229 GLU H H 1 8.327 0.003 . 1 . . . . 345 e HN . 15974 1 605 . 1 1 229 229 GLU CA C 13 57.624 0.345 . 1 . . . . 345 e CA . 15974 1 606 . 1 1 229 229 GLU N N 15 121.237 0.064 . 1 . . . . 345 e N . 15974 1 607 . 1 1 230 230 ASP H H 1 8.219 0.003 . 1 . . . . 346 d HN . 15974 1 608 . 1 1 230 230 ASP CA C 13 54.056 0.345 . 1 . . . . 346 d CA . 15974 1 609 . 1 1 230 230 ASP N N 15 119.152 0.064 . 1 . . . . 346 d N . 15974 1 610 . 1 1 231 231 TRP H H 1 7.739 0.003 . 1 . . . . 347 w HN . 15974 1 611 . 1 1 231 231 TRP HE1 H 1 10.147 0.003 . 1 . . . . 347 w HE1 . 15974 1 612 . 1 1 231 231 TRP CA C 13 57.900 0.345 . 1 . . . . 347 w CA . 15974 1 613 . 1 1 231 231 TRP N N 15 120.667 0.064 . 1 . . . . 347 w N . 15974 1 614 . 1 1 231 231 TRP NE1 N 15 129.267 0.064 . 1 . . . . 347 w NE1 . 15974 1 615 . 1 1 232 232 ASP H H 1 7.994 0.003 . 1 . . . . 348 d HN . 15974 1 616 . 1 1 232 232 ASP CA C 13 53.986 0.345 . 1 . . . . 348 d CA . 15974 1 617 . 1 1 232 232 ASP N N 15 120.564 0.064 . 1 . . . . 348 d N . 15974 1 618 . 1 1 233 233 LYS H H 1 7.551 0.003 . 1 . . . . 349 k HN . 15974 1 619 . 1 1 233 233 LYS CA C 13 55.767 0.345 . 1 . . . . 349 k CA . 15974 1 620 . 1 1 233 233 LYS N N 15 120.279 0.064 . 1 . . . . 349 k N . 15974 1 621 . 1 1 234 234 GLN H H 1 8.091 0.003 . 1 . . . . 350 q HN . 15974 1 622 . 1 1 234 234 GLN CA C 13 53.526 0.345 . 1 . . . . 350 q CA . 15974 1 623 . 1 1 234 234 GLN N N 15 122.932 0.064 . 1 . . . . 350 q N . 15974 1 stop_ save_