data_19272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19272 _Entry.Title ; 1H, 15N, 13C resonance assignments of Yersinia phosphatase YopH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-28 _Entry.Accession_date 2013-05-28 _Entry.Last_release_date 2013-05-29 _Entry.Original_release_date 2013-05-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sean Whittier . K. . 19272 2 J. Loria . P. . 19272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 760 19272 '15N chemical shifts' 271 19272 '1H chemical shifts' 271 19272 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 . . 2013-05-29 2013-05-28 original author . 19272 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19272 _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 '1H, 15N, 13C resonance assignments of Yersinia phosphatase YopH' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Sean Whittier . K. . 19272 1 2 J. Loria . P. . 19272 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19272 _Assembly.ID 1 _Assembly.Name YopH _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 33513 _Assembly.Enzyme_commission_number 3.1.3.48 _Assembly.Details 'Monomer of YopH phosphatase domain' _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 YopH 1 $YopH A . yes native no no . . . 19272 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 yes PDB 1ypt . . X-ray 2.4 'X-ray crystal structure of molecule in this study.' . 19272 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein tyrosine phosphatase' 19272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YopH _Entity.Sf_category entity _Entity.Sf_framecode YopH _Entity.Entry_ID 19272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YopH _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 ; MRERPHTSGHHGAGEARATA PSTVSPYGPEARAELSSRLT TLRNTLAPATNDPRYLQACG GEKLNRFRDIQCRRQTAVRA DLNANYIQVGNTRTIACQYP LQSQLESHFRMLAENRTPVL AVLASSSEIANQRFGMPDYF RQSGTYGSITVESKMTQQVG LGDGIMADMYTLTIREAGQK TISVPVVHVGNWPDQTAVSS EVTKALASLVDQTAETKRNM YESKGSSAVADDSKLRPVIH CRAGVGRTAQLIGAMCMNDS RNSQLSVEDMVSQMRVQRNG IMVQKDEQLDVLIKLAEGQG RPLLNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 306 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'YopH catalytic domain' _Entity.Mutation . _Entity.EC_number 3.1.3.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33513 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes PDB 1ypt . YopH . . . . . . . . . . . . . . 19272 1 2 no PDB 1LYV . "High-Resolution Structure Of The Catalytically Inactive Yersinia Tyrosine Phosphatase C403a Mutant In Complex With Phosphate" . . . . . 100.00 306 99.67 99.67 0.00e+00 . . . . 19272 1 3 no PDB 1PA9 . "Yersinia Protein-Tyrosine Phosphatase Complexed With Pncs (Yop51,Pasteurella X,Ptpase,Yop51delta162) (Catalytic Domain, Residue" . . . . . 92.81 284 100.00 100.00 0.00e+00 . . . . 19272 1 4 no PDB 1QZ0 . "Crystal Structure Of The Yersinia Pestis Phosphatase Yoph In Complex With A Phosphotyrosyl Mimetic-Containing Hexapeptide" . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 5 no PDB 1XXP . "Yersinia Yoph (Residues 163-468) C403s Binds Phosphotyrosyl Peptide At Two Sites" . . . . . 99.67 306 99.67 99.67 0.00e+00 . . . . 19272 1 6 no PDB 1XXV . "Yersinia Yoph (Residues 163-468) Binds Phosphonodifluoromethyl-Phe Containing Hexapeptide At Two Sites" . . . . . 99.67 306 100.00 100.00 0.00e+00 . . . . 19272 1 7 no PDB 1YPT . "Crystal Structure Of Yersinia Protein Tyrosine Phosphatase At 2.5 Angstroms And The Complex With Tungstate" . . . . . 99.67 305 100.00 100.00 0.00e+00 . . . . 19272 1 8 no PDB 1YTN . Hydrolase . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 9 no PDB 1YTS . "A Ligand-Induced Conformational Change In The Yersinia Protein Tyrosine Phosphatase" . . . . . 90.85 278 99.64 99.64 0.00e+00 . . . . 19272 1 10 no PDB 1YTW . "Yersinia Ptpase Complexed With Tungstate" . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 11 no PDB 2I42 . "Crystal Structure Of Yersinia Protein Tyrosine Phosphatase Complexed With Vanadate, A Transition State Analogue" . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 12 no PDB 2Y2F . "Crystal Structure Of Yersinia Pestis Yoph In Complex With An Aminooxy-Containing Platform Compound For Inhibitor Design" . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 13 no PDB 2YDU . "Crystal Structure Of Yoph In Complex With 3-(1,1-Dioxido-3-Oxoisothiazolidin-5-Yl)benzaldeyde" . . . . . 100.00 306 100.00 100.00 0.00e+00 . . . . 19272 1 14 no PDB 3BLT . "Crystal Structures Of Yoph Complexed With Pvsn And Pvs, Inhibitors Of Yoph Which Co-Valent Bind To Cys Of Active Site" . . . . . 99.67 305 100.00 100.00 0.00e+00 . . . . 19272 1 15 no PDB 3BLU . "Crystal Structure Yoph Complexed With Inhibitor Pvs" . . . . . 99.67 305 100.00 100.00 0.00e+00 . . . . 19272 1 16 no PDB 3BM8 . "Crystal Structure Of Yoph Mutant D356a Complexed With Irreversible Inhibitor Pvsn" . . . . . 99.67 305 99.67 99.67 0.00e+00 . . . . 19272 1 17 no PDB 3F99 . "W354f Yersinia Enterocolitica Ptpase Apo Form" . . . . . 100.00 306 99.67 100.00 0.00e+00 . . . . 19272 1 18 no PDB 3F9A . "W354f Yersinia Enterocolitica Ptpase Complexed With Tungstate" . . . . . 100.00 306 99.67 100.00 0.00e+00 . . . . 19272 1 19 no PDB 3F9B . "W354f Yersinia Enterocolitica Ptpase Complexed With Divanadate" . . . . . 100.00 306 99.67 100.00 0.00e+00 . . . . 19272 1 20 no PDB 3U96 . "Crystal Structure Of Yophq357f(Catalytic Domain, Residues 163-468) In Complex With Pncs" . . . . . 99.67 306 99.67 99.67 0.00e+00 . . . . 19272 1 21 no PDB 4YAA . "Yoph W354y Yersinia Enterocolitica Ptpase Apo Form" . . . . . 100.00 306 99.67 100.00 0.00e+00 . . . . 19272 1 22 no PDB 4Z6B . "Yoph W354h Yersinia Enterocolitica Ptpase In The Apo Form" . . . . . 100.00 306 99.67 99.67 0.00e+00 . . . . 19272 1 23 no PDB 4ZI4 . "Yoph W354h Yersinia Enterocolitica Ptpase Bond With Divanadate Glycerol Ester In The Active Site" . . . . . 100.00 306 99.67 99.67 0.00e+00 . . . . 19272 1 24 no PDB 4ZN5 . "Yoph W354y Yersinia Enterocolitica Ptpase Bond With Divanadate Glycerol Ester In The Active Site" . . . . . 100.00 306 99.67 100.00 0.00e+00 . . . . 19272 1 25 no EMBL CAA68629 . "Yop2b protein [Yersinia pseudotuberculosis]" . . . . . 99.67 468 99.02 99.02 0.00e+00 . . . . 19272 1 26 no EMBL CAB54944 . "putative protein-tyrosine phosphatase Yop effector [Yersinia pestis CO92]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 27 no EMBL CAF25437 . "yopH; putative protein-tyrosine phosphatase Yop effector [Yersinia pseudotuberculosis IP 32953]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 28 no EMBL CAL10072 . "putative protein-tyrosine phosphatase Yop effector [Yersinia enterocolitica subsp. enterocolitica 8081]" . . . . . 99.67 468 99.02 99.02 0.00e+00 . . . . 19272 1 29 no EMBL CBW54720 . "YopH, T3SS secreted protein, tyrosine phosphatase, PMID 19221593 [Yersinia enterocolitica (type O:8)]" . . . . . 99.67 468 99.02 99.34 0.00e+00 . . . . 19272 1 30 no GB AAA19860 . "YopH protein [Yersinia enterocolitica W22703]" . . . . . 99.67 468 99.67 99.67 0.00e+00 . . . . 19272 1 31 no GB AAC62606 . "YopH [Yersinia pestis]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 32 no GB AAC69768 . "targeted effector protein [Yersinia pestis]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 33 no GB AAD16847 . "Yop effector YopH [Yersinia enterocolitica W22703]" . . . . . 99.67 468 99.67 99.67 0.00e+00 . . . . 19272 1 34 no GB AAK69246 . "Yop effector YopH [Yersinia enterocolitica]" . . . . . 99.67 468 99.02 99.02 0.00e+00 . . . . 19272 1 35 no REF NP_052424 . "Yop effector YopH [Yersinia enterocolitica W22703]" . . . . . 99.67 468 99.67 99.67 0.00e+00 . . . . 19272 1 36 no REF NP_395201 . "putative secreted protein-tyrosine phosphatase [Yersinia pestis CO92]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 37 no REF NP_783699 . "YopH [Yersinia enterocolitica]" . . . . . 99.67 468 99.02 99.34 0.00e+00 . . . . 19272 1 38 no REF NP_857779 . "YopH [Yersinia pestis]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 39 no REF NP_857910 . "targeted effector protein [Yersinia pestis]" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 40 no SP P08538 . "RecName: Full=Tyrosine-protein phosphatase YopH; AltName: Full=Virulence protein" . . . . . 99.67 468 99.34 99.34 0.00e+00 . . . . 19272 1 41 no SP P15273 . "RecName: Full=Tyrosine-protein phosphatase YopH; AltName: Full=Virulence protein" . . . . . 99.67 468 99.67 99.67 0.00e+00 . . . . 19272 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Protein tyrosine phosphatase' 19272 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 1 163 MET . 19272 1 2 164 ARG . 19272 1 3 165 GLU . 19272 1 4 166 ARG . 19272 1 5 167 PRO . 19272 1 6 168 HIS . 19272 1 7 169 THR . 19272 1 8 170 SER . 19272 1 9 171 GLY . 19272 1 10 172 HIS . 19272 1 11 173 HIS . 19272 1 12 174 GLY . 19272 1 13 175 ALA . 19272 1 14 176 GLY . 19272 1 15 177 GLU . 19272 1 16 178 ALA . 19272 1 17 179 ARG . 19272 1 18 180 ALA . 19272 1 19 181 THR . 19272 1 20 182 ALA . 19272 1 21 183 PRO . 19272 1 22 184 SER . 19272 1 23 185 THR . 19272 1 24 186 VAL . 19272 1 25 187 SER . 19272 1 26 188 PRO . 19272 1 27 189 TYR . 19272 1 28 190 GLY . 19272 1 29 191 PRO . 19272 1 30 192 GLU . 19272 1 31 193 ALA . 19272 1 32 194 ARG . 19272 1 33 195 ALA . 19272 1 34 196 GLU . 19272 1 35 197 LEU . 19272 1 36 198 SER . 19272 1 37 199 SER . 19272 1 38 200 ARG . 19272 1 39 201 LEU . 19272 1 40 202 THR . 19272 1 41 203 THR . 19272 1 42 204 LEU . 19272 1 43 205 ARG . 19272 1 44 206 ASN . 19272 1 45 207 THR . 19272 1 46 208 LEU . 19272 1 47 209 ALA . 19272 1 48 210 PRO . 19272 1 49 211 ALA . 19272 1 50 212 THR . 19272 1 51 213 ASN . 19272 1 52 214 ASP . 19272 1 53 215 PRO . 19272 1 54 216 ARG . 19272 1 55 217 TYR . 19272 1 56 218 LEU . 19272 1 57 219 GLN . 19272 1 58 220 ALA . 19272 1 59 221 CYS . 19272 1 60 222 GLY . 19272 1 61 223 GLY . 19272 1 62 224 GLU . 19272 1 63 225 LYS . 19272 1 64 226 LEU . 19272 1 65 227 ASN . 19272 1 66 228 ARG . 19272 1 67 229 PHE . 19272 1 68 230 ARG . 19272 1 69 231 ASP . 19272 1 70 232 ILE . 19272 1 71 233 GLN . 19272 1 72 234 CYS . 19272 1 73 235 ARG . 19272 1 74 236 ARG . 19272 1 75 237 GLN . 19272 1 76 238 THR . 19272 1 77 239 ALA . 19272 1 78 240 VAL . 19272 1 79 241 ARG . 19272 1 80 242 ALA . 19272 1 81 243 ASP . 19272 1 82 244 LEU . 19272 1 83 245 ASN . 19272 1 84 246 ALA . 19272 1 85 247 ASN . 19272 1 86 248 TYR . 19272 1 87 249 ILE . 19272 1 88 250 GLN . 19272 1 89 251 VAL . 19272 1 90 252 GLY . 19272 1 91 253 ASN . 19272 1 92 254 THR . 19272 1 93 255 ARG . 19272 1 94 256 THR . 19272 1 95 257 ILE . 19272 1 96 258 ALA . 19272 1 97 259 CYS . 19272 1 98 260 GLN . 19272 1 99 261 TYR . 19272 1 100 262 PRO . 19272 1 101 263 LEU . 19272 1 102 264 GLN . 19272 1 103 265 SER . 19272 1 104 266 GLN . 19272 1 105 267 LEU . 19272 1 106 268 GLU . 19272 1 107 269 SER . 19272 1 108 270 HIS . 19272 1 109 271 PHE . 19272 1 110 272 ARG . 19272 1 111 273 MET . 19272 1 112 274 LEU . 19272 1 113 275 ALA . 19272 1 114 276 GLU . 19272 1 115 277 ASN . 19272 1 116 278 ARG . 19272 1 117 279 THR . 19272 1 118 280 PRO . 19272 1 119 281 VAL . 19272 1 120 282 LEU . 19272 1 121 283 ALA . 19272 1 122 284 VAL . 19272 1 123 285 LEU . 19272 1 124 286 ALA . 19272 1 125 287 SER . 19272 1 126 288 SER . 19272 1 127 289 SER . 19272 1 128 290 GLU . 19272 1 129 291 ILE . 19272 1 130 292 ALA . 19272 1 131 293 ASN . 19272 1 132 294 GLN . 19272 1 133 295 ARG . 19272 1 134 296 PHE . 19272 1 135 297 GLY . 19272 1 136 298 MET . 19272 1 137 299 PRO . 19272 1 138 300 ASP . 19272 1 139 301 TYR . 19272 1 140 302 PHE . 19272 1 141 303 ARG . 19272 1 142 304 GLN . 19272 1 143 305 SER . 19272 1 144 306 GLY . 19272 1 145 307 THR . 19272 1 146 308 TYR . 19272 1 147 309 GLY . 19272 1 148 310 SER . 19272 1 149 311 ILE . 19272 1 150 312 THR . 19272 1 151 313 VAL . 19272 1 152 314 GLU . 19272 1 153 315 SER . 19272 1 154 316 LYS . 19272 1 155 317 MET . 19272 1 156 318 THR . 19272 1 157 319 GLN . 19272 1 158 320 GLN . 19272 1 159 321 VAL . 19272 1 160 322 GLY . 19272 1 161 323 LEU . 19272 1 162 324 GLY . 19272 1 163 325 ASP . 19272 1 164 326 GLY . 19272 1 165 327 ILE . 19272 1 166 328 MET . 19272 1 167 329 ALA . 19272 1 168 330 ASP . 19272 1 169 331 MET . 19272 1 170 332 TYR . 19272 1 171 333 THR . 19272 1 172 334 LEU . 19272 1 173 335 THR . 19272 1 174 336 ILE . 19272 1 175 337 ARG . 19272 1 176 338 GLU . 19272 1 177 339 ALA . 19272 1 178 340 GLY . 19272 1 179 341 GLN . 19272 1 180 342 LYS . 19272 1 181 343 THR . 19272 1 182 344 ILE . 19272 1 183 345 SER . 19272 1 184 346 VAL . 19272 1 185 347 PRO . 19272 1 186 348 VAL . 19272 1 187 349 VAL . 19272 1 188 350 HIS . 19272 1 189 351 VAL . 19272 1 190 352 GLY . 19272 1 191 353 ASN . 19272 1 192 354 TRP . 19272 1 193 355 PRO . 19272 1 194 356 ASP . 19272 1 195 357 GLN . 19272 1 196 358 THR . 19272 1 197 359 ALA . 19272 1 198 360 VAL . 19272 1 199 361 SER . 19272 1 200 362 SER . 19272 1 201 363 GLU . 19272 1 202 364 VAL . 19272 1 203 365 THR . 19272 1 204 366 LYS . 19272 1 205 367 ALA . 19272 1 206 368 LEU . 19272 1 207 369 ALA . 19272 1 208 370 SER . 19272 1 209 371 LEU . 19272 1 210 372 VAL . 19272 1 211 373 ASP . 19272 1 212 374 GLN . 19272 1 213 375 THR . 19272 1 214 376 ALA . 19272 1 215 377 GLU . 19272 1 216 378 THR . 19272 1 217 379 LYS . 19272 1 218 380 ARG . 19272 1 219 381 ASN . 19272 1 220 382 MET . 19272 1 221 383 TYR . 19272 1 222 384 GLU . 19272 1 223 385 SER . 19272 1 224 386 LYS . 19272 1 225 387 GLY . 19272 1 226 388 SER . 19272 1 227 389 SER . 19272 1 228 390 ALA . 19272 1 229 391 VAL . 19272 1 230 392 ALA . 19272 1 231 393 ASP . 19272 1 232 394 ASP . 19272 1 233 395 SER . 19272 1 234 396 LYS . 19272 1 235 397 LEU . 19272 1 236 398 ARG . 19272 1 237 399 PRO . 19272 1 238 400 VAL . 19272 1 239 401 ILE . 19272 1 240 402 HIS . 19272 1 241 403 CYS . 19272 1 242 404 ARG . 19272 1 243 405 ALA . 19272 1 244 406 GLY . 19272 1 245 407 VAL . 19272 1 246 408 GLY . 19272 1 247 409 ARG . 19272 1 248 410 THR . 19272 1 249 411 ALA . 19272 1 250 412 GLN . 19272 1 251 413 LEU . 19272 1 252 414 ILE . 19272 1 253 415 GLY . 19272 1 254 416 ALA . 19272 1 255 417 MET . 19272 1 256 418 CYS . 19272 1 257 419 MET . 19272 1 258 420 ASN . 19272 1 259 421 ASP . 19272 1 260 422 SER . 19272 1 261 423 ARG . 19272 1 262 424 ASN . 19272 1 263 425 SER . 19272 1 264 426 GLN . 19272 1 265 427 LEU . 19272 1 266 428 SER . 19272 1 267 429 VAL . 19272 1 268 430 GLU . 19272 1 269 431 ASP . 19272 1 270 432 MET . 19272 1 271 433 VAL . 19272 1 272 434 SER . 19272 1 273 435 GLN . 19272 1 274 436 MET . 19272 1 275 437 ARG . 19272 1 276 438 VAL . 19272 1 277 439 GLN . 19272 1 278 440 ARG . 19272 1 279 441 ASN . 19272 1 280 442 GLY . 19272 1 281 443 ILE . 19272 1 282 444 MET . 19272 1 283 445 VAL . 19272 1 284 446 GLN . 19272 1 285 447 LYS . 19272 1 286 448 ASP . 19272 1 287 449 GLU . 19272 1 288 450 GLN . 19272 1 289 451 LEU . 19272 1 290 452 ASP . 19272 1 291 453 VAL . 19272 1 292 454 LEU . 19272 1 293 455 ILE . 19272 1 294 456 LYS . 19272 1 295 457 LEU . 19272 1 296 458 ALA . 19272 1 297 459 GLU . 19272 1 298 460 GLY . 19272 1 299 461 GLN . 19272 1 300 462 GLY . 19272 1 301 463 ARG . 19272 1 302 464 PRO . 19272 1 303 465 LEU . 19272 1 304 466 LEU . 19272 1 305 467 ASN . 19272 1 306 468 SER . 19272 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 19272 1 . ARG 2 2 19272 1 . GLU 3 3 19272 1 . ARG 4 4 19272 1 . PRO 5 5 19272 1 . HIS 6 6 19272 1 . THR 7 7 19272 1 . SER 8 8 19272 1 . GLY 9 9 19272 1 . HIS 10 10 19272 1 . HIS 11 11 19272 1 . GLY 12 12 19272 1 . ALA 13 13 19272 1 . GLY 14 14 19272 1 . GLU 15 15 19272 1 . ALA 16 16 19272 1 . ARG 17 17 19272 1 . ALA 18 18 19272 1 . THR 19 19 19272 1 . ALA 20 20 19272 1 . PRO 21 21 19272 1 . SER 22 22 19272 1 . THR 23 23 19272 1 . VAL 24 24 19272 1 . SER 25 25 19272 1 . PRO 26 26 19272 1 . TYR 27 27 19272 1 . GLY 28 28 19272 1 . PRO 29 29 19272 1 . GLU 30 30 19272 1 . ALA 31 31 19272 1 . ARG 32 32 19272 1 . ALA 33 33 19272 1 . GLU 34 34 19272 1 . LEU 35 35 19272 1 . SER 36 36 19272 1 . SER 37 37 19272 1 . ARG 38 38 19272 1 . LEU 39 39 19272 1 . THR 40 40 19272 1 . THR 41 41 19272 1 . LEU 42 42 19272 1 . ARG 43 43 19272 1 . ASN 44 44 19272 1 . THR 45 45 19272 1 . LEU 46 46 19272 1 . ALA 47 47 19272 1 . PRO 48 48 19272 1 . ALA 49 49 19272 1 . THR 50 50 19272 1 . ASN 51 51 19272 1 . ASP 52 52 19272 1 . PRO 53 53 19272 1 . ARG 54 54 19272 1 . TYR 55 55 19272 1 . LEU 56 56 19272 1 . GLN 57 57 19272 1 . ALA 58 58 19272 1 . CYS 59 59 19272 1 . GLY 60 60 19272 1 . GLY 61 61 19272 1 . GLU 62 62 19272 1 . LYS 63 63 19272 1 . LEU 64 64 19272 1 . ASN 65 65 19272 1 . ARG 66 66 19272 1 . PHE 67 67 19272 1 . ARG 68 68 19272 1 . ASP 69 69 19272 1 . ILE 70 70 19272 1 . GLN 71 71 19272 1 . CYS 72 72 19272 1 . ARG 73 73 19272 1 . ARG 74 74 19272 1 . GLN 75 75 19272 1 . THR 76 76 19272 1 . ALA 77 77 19272 1 . VAL 78 78 19272 1 . ARG 79 79 19272 1 . ALA 80 80 19272 1 . ASP 81 81 19272 1 . LEU 82 82 19272 1 . ASN 83 83 19272 1 . ALA 84 84 19272 1 . ASN 85 85 19272 1 . TYR 86 86 19272 1 . ILE 87 87 19272 1 . GLN 88 88 19272 1 . VAL 89 89 19272 1 . GLY 90 90 19272 1 . ASN 91 91 19272 1 . THR 92 92 19272 1 . ARG 93 93 19272 1 . THR 94 94 19272 1 . ILE 95 95 19272 1 . ALA 96 96 19272 1 . CYS 97 97 19272 1 . GLN 98 98 19272 1 . TYR 99 99 19272 1 . PRO 100 100 19272 1 . LEU 101 101 19272 1 . GLN 102 102 19272 1 . SER 103 103 19272 1 . GLN 104 104 19272 1 . LEU 105 105 19272 1 . GLU 106 106 19272 1 . SER 107 107 19272 1 . HIS 108 108 19272 1 . PHE 109 109 19272 1 . ARG 110 110 19272 1 . MET 111 111 19272 1 . LEU 112 112 19272 1 . ALA 113 113 19272 1 . GLU 114 114 19272 1 . ASN 115 115 19272 1 . ARG 116 116 19272 1 . THR 117 117 19272 1 . PRO 118 118 19272 1 . VAL 119 119 19272 1 . LEU 120 120 19272 1 . ALA 121 121 19272 1 . VAL 122 122 19272 1 . LEU 123 123 19272 1 . ALA 124 124 19272 1 . SER 125 125 19272 1 . SER 126 126 19272 1 . SER 127 127 19272 1 . GLU 128 128 19272 1 . ILE 129 129 19272 1 . ALA 130 130 19272 1 . ASN 131 131 19272 1 . GLN 132 132 19272 1 . ARG 133 133 19272 1 . PHE 134 134 19272 1 . GLY 135 135 19272 1 . MET 136 136 19272 1 . PRO 137 137 19272 1 . ASP 138 138 19272 1 . TYR 139 139 19272 1 . PHE 140 140 19272 1 . ARG 141 141 19272 1 . GLN 142 142 19272 1 . SER 143 143 19272 1 . GLY 144 144 19272 1 . THR 145 145 19272 1 . TYR 146 146 19272 1 . GLY 147 147 19272 1 . SER 148 148 19272 1 . ILE 149 149 19272 1 . THR 150 150 19272 1 . VAL 151 151 19272 1 . GLU 152 152 19272 1 . SER 153 153 19272 1 . LYS 154 154 19272 1 . MET 155 155 19272 1 . THR 156 156 19272 1 . GLN 157 157 19272 1 . GLN 158 158 19272 1 . VAL 159 159 19272 1 . GLY 160 160 19272 1 . LEU 161 161 19272 1 . GLY 162 162 19272 1 . ASP 163 163 19272 1 . GLY 164 164 19272 1 . ILE 165 165 19272 1 . MET 166 166 19272 1 . ALA 167 167 19272 1 . ASP 168 168 19272 1 . MET 169 169 19272 1 . TYR 170 170 19272 1 . THR 171 171 19272 1 . LEU 172 172 19272 1 . THR 173 173 19272 1 . ILE 174 174 19272 1 . ARG 175 175 19272 1 . GLU 176 176 19272 1 . ALA 177 177 19272 1 . GLY 178 178 19272 1 . GLN 179 179 19272 1 . LYS 180 180 19272 1 . THR 181 181 19272 1 . ILE 182 182 19272 1 . SER 183 183 19272 1 . VAL 184 184 19272 1 . PRO 185 185 19272 1 . VAL 186 186 19272 1 . VAL 187 187 19272 1 . HIS 188 188 19272 1 . VAL 189 189 19272 1 . GLY 190 190 19272 1 . ASN 191 191 19272 1 . TRP 192 192 19272 1 . PRO 193 193 19272 1 . ASP 194 194 19272 1 . GLN 195 195 19272 1 . THR 196 196 19272 1 . ALA 197 197 19272 1 . VAL 198 198 19272 1 . SER 199 199 19272 1 . SER 200 200 19272 1 . GLU 201 201 19272 1 . VAL 202 202 19272 1 . THR 203 203 19272 1 . LYS 204 204 19272 1 . ALA 205 205 19272 1 . LEU 206 206 19272 1 . ALA 207 207 19272 1 . SER 208 208 19272 1 . LEU 209 209 19272 1 . VAL 210 210 19272 1 . ASP 211 211 19272 1 . GLN 212 212 19272 1 . THR 213 213 19272 1 . ALA 214 214 19272 1 . GLU 215 215 19272 1 . THR 216 216 19272 1 . LYS 217 217 19272 1 . ARG 218 218 19272 1 . ASN 219 219 19272 1 . MET 220 220 19272 1 . TYR 221 221 19272 1 . GLU 222 222 19272 1 . SER 223 223 19272 1 . LYS 224 224 19272 1 . GLY 225 225 19272 1 . SER 226 226 19272 1 . SER 227 227 19272 1 . ALA 228 228 19272 1 . VAL 229 229 19272 1 . ALA 230 230 19272 1 . ASP 231 231 19272 1 . ASP 232 232 19272 1 . SER 233 233 19272 1 . LYS 234 234 19272 1 . LEU 235 235 19272 1 . ARG 236 236 19272 1 . PRO 237 237 19272 1 . VAL 238 238 19272 1 . ILE 239 239 19272 1 . HIS 240 240 19272 1 . CYS 241 241 19272 1 . ARG 242 242 19272 1 . ALA 243 243 19272 1 . GLY 244 244 19272 1 . VAL 245 245 19272 1 . GLY 246 246 19272 1 . ARG 247 247 19272 1 . THR 248 248 19272 1 . ALA 249 249 19272 1 . GLN 250 250 19272 1 . LEU 251 251 19272 1 . ILE 252 252 19272 1 . GLY 253 253 19272 1 . ALA 254 254 19272 1 . MET 255 255 19272 1 . CYS 256 256 19272 1 . MET 257 257 19272 1 . ASN 258 258 19272 1 . ASP 259 259 19272 1 . SER 260 260 19272 1 . ARG 261 261 19272 1 . ASN 262 262 19272 1 . SER 263 263 19272 1 . GLN 264 264 19272 1 . LEU 265 265 19272 1 . SER 266 266 19272 1 . VAL 267 267 19272 1 . GLU 268 268 19272 1 . ASP 269 269 19272 1 . MET 270 270 19272 1 . VAL 271 271 19272 1 . SER 272 272 19272 1 . GLN 273 273 19272 1 . MET 274 274 19272 1 . ARG 275 275 19272 1 . VAL 276 276 19272 1 . GLN 277 277 19272 1 . ARG 278 278 19272 1 . ASN 279 279 19272 1 . GLY 280 280 19272 1 . ILE 281 281 19272 1 . MET 282 282 19272 1 . VAL 283 283 19272 1 . GLN 284 284 19272 1 . LYS 285 285 19272 1 . ASP 286 286 19272 1 . GLU 287 287 19272 1 . GLN 288 288 19272 1 . LEU 289 289 19272 1 . ASP 290 290 19272 1 . VAL 291 291 19272 1 . LEU 292 292 19272 1 . ILE 293 293 19272 1 . LYS 294 294 19272 1 . LEU 295 295 19272 1 . ALA 296 296 19272 1 . GLU 297 297 19272 1 . GLY 298 298 19272 1 . GLN 299 299 19272 1 . GLY 300 300 19272 1 . ARG 301 301 19272 1 . PRO 302 302 19272 1 . LEU 303 303 19272 1 . LEU 304 304 19272 1 . ASN 305 305 19272 1 . SER 306 306 19272 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 19272 _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 $YopH . 632 organism . 'Yersinia pestis' Enterobacteria . . Bacteria . Yersinia pestis . . . . . . . . . . . . . . . . . . . . . 19272 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 19272 _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 $YopH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET19b . . . . . . 19272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19272 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 YopH '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $YopH . . 450 . . uM . . . . 19272 1 2 'Bis-Tris propane' 'natural abundance' . . . . . . 20 . . mM . . . . 19272 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19272 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19272 1 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19272 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . w/v . . . . 19272 1 7 D2O [U-2H] . . . . . . 7 . . % . . . . 19272 1 8 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19272 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 19272 _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' 0.11 . M 19272 1 pH 6.5 . pH 19272 1 pressure 1 . atm 19272 1 temperature 293 . K 19272 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19272 _Software.ID 1 _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' . . 19272 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19272 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19272 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19272 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19272 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19272 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller & Wuthrich' . www.cara.nmr.ch 19272 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19272 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 19272 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'NMRFAM, cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19272 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'University of Colorado, cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19272 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'University of Colorado, cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19272 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 19272 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'Room temperature probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19272 _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 'Uniform NMR System' . 900 'NMRFAM, cryogenic probe' . . 19272 1 2 spectrometer_2 Varian 'Uniform NMR System' . 900 'University of Colorado, cryogenic probe' . . 19272 1 3 spectrometer_3 Varian INOVA . 600 'University of Colorado, cryogenic probe' . . 19272 1 4 spectrometer_4 Varian INOVA . 600 'Room temperature probe' . . 19272 1 5 spectrometer_5 Varian 'Uniform NMR System' . 800 'Room temperature probe' . . 19272 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 19272 _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 . . . . . . . . . . . . . . . . 19272 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19272 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19272 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19272 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 19272 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19272 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19272 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Water_resonance _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode Water_resonance _Chem_shift_reference.Entry_ID 19272 _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 water 'methyl protons' . . . . ppm 4.8 internal indirect 0.251449512 . . . . . . . . . 19272 1 H 1 water 'methyl protons' . . . . ppm 4.8 internal indirect 1.00000000 . . . . . . . . . 19272 1 N 15 water 'methyl protons' . . . . ppm 4.8 internal indirect 0.10132905 . . . . . . . . . 19272 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 19272 _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 $Water_resonance _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' . . . 19272 1 2 '3D HNCA' . . . 19272 1 3 '3D HN(CO)CA' . . . 19272 1 4 '3D HNCACB' . . . 19272 1 5 '3D HN(COCA)CB' . . . 19272 1 6 '3D HCACO' . . . 19272 1 7 '3D HNCO' . . . 19272 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 1 1 MET H H 1 8.573 0.020 . 1 . . . . 163 MET H . 19272 1 2 . 1 1 1 1 MET C C 13 174.015 0.3 . 1 . . . . 163 MET C . 19272 1 3 . 1 1 1 1 MET CA C 13 55.995 0.3 . 1 . . . . 163 MET CA . 19272 1 4 . 1 1 1 1 MET CB C 13 29.221 0.3 . 1 . . . . 163 MET CB . 19272 1 5 . 1 1 1 1 MET N N 15 124.292 0.3 . 1 . . . . 163 MET N . 19272 1 6 . 1 1 2 2 ARG H H 1 8.496 0.020 . 1 . . . . 164 ARG H . 19272 1 7 . 1 1 2 2 ARG C C 13 174.547 0.3 . 1 . . . . 164 ARG C . 19272 1 8 . 1 1 2 2 ARG CA C 13 55.622 0.3 . 1 . . . . 164 ARG CA . 19272 1 9 . 1 1 2 2 ARG N N 15 124.174 0.3 . 1 . . . . 164 ARG N . 19272 1 10 . 1 1 3 3 GLU H H 1 8.375 0.020 . 1 . . . . 165 GLU H . 19272 1 11 . 1 1 3 3 GLU C C 13 172.768 0.3 . 1 . . . . 165 GLU C . 19272 1 12 . 1 1 3 3 GLU CA C 13 53.292 0.3 . 1 . . . . 165 GLU CA . 19272 1 13 . 1 1 3 3 GLU CB C 13 28.770 0.3 . 1 . . . . 165 GLU CB . 19272 1 14 . 1 1 3 3 GLU N N 15 124.687 0.3 . 1 . . . . 165 GLU N . 19272 1 15 . 1 1 5 5 PRO C C 13 175.170 0.3 . 1 . . . . 167 PRO C . 19272 1 16 . 1 1 5 5 PRO CA C 13 62.376 0.3 . 1 . . . . 167 PRO CA . 19272 1 17 . 1 1 6 6 HIS H H 1 8.494 0.020 . 1 . . . . 168 HIS H . 19272 1 18 . 1 1 6 6 HIS CA C 13 55.261 0.3 . 1 . . . . 168 HIS CA . 19272 1 19 . 1 1 6 6 HIS CB C 13 28.971 0.3 . 1 . . . . 168 HIS CB . 19272 1 20 . 1 1 6 6 HIS N N 15 120.849 0.3 . 1 . . . . 168 HIS N . 19272 1 21 . 1 1 7 7 THR H H 1 8.017 0.020 . 1 . . . . 169 THR H . 19272 1 22 . 1 1 7 7 THR C C 13 172.932 0.3 . 1 . . . . 169 THR C . 19272 1 23 . 1 1 7 7 THR CA C 13 60.826 0.3 . 1 . . . . 169 THR CA . 19272 1 24 . 1 1 7 7 THR CB C 13 68.857 0.3 . 1 . . . . 169 THR CB . 19272 1 25 . 1 1 7 7 THR N N 15 116.205 0.3 . 1 . . . . 169 THR N . 19272 1 26 . 1 1 8 8 SER H H 1 8.320 0.020 . 1 . . . . 170 SER H . 19272 1 27 . 1 1 8 8 SER C C 13 173.519 0.3 . 1 . . . . 170 SER C . 19272 1 28 . 1 1 8 8 SER CA C 13 57.845 0.3 . 1 . . . . 170 SER CA . 19272 1 29 . 1 1 8 8 SER CB C 13 62.986 0.3 . 1 . . . . 170 SER CB . 19272 1 30 . 1 1 8 8 SER N N 15 119.051 0.3 . 1 . . . . 170 SER N . 19272 1 31 . 1 1 9 9 GLY H H 1 8.312 0.020 . 1 . . . . 171 GLY H . 19272 1 32 . 1 1 9 9 GLY C C 13 173.783 0.3 . 1 . . . . 171 GLY C . 19272 1 33 . 1 1 9 9 GLY CA C 13 44.289 0.3 . 1 . . . . 171 GLY CA . 19272 1 34 . 1 1 9 9 GLY N N 15 111.604 0.3 . 1 . . . . 171 GLY N . 19272 1 35 . 1 1 11 11 HIS H H 1 8.125 0.020 . 1 . . . . 173 HIS H . 19272 1 36 . 1 1 11 11 HIS C C 13 173.437 0.3 . 1 . . . . 173 HIS C . 19272 1 37 . 1 1 11 11 HIS CA C 13 55.293 0.3 . 1 . . . . 173 HIS CA . 19272 1 38 . 1 1 11 11 HIS N N 15 120.105 0.3 . 1 . . . . 173 HIS N . 19272 1 39 . 1 1 12 12 GLY H H 1 8.333 0.020 . 1 . . . . 174 GLY H . 19272 1 40 . 1 1 12 12 GLY C C 13 172.321 0.3 . 1 . . . . 174 GLY C . 19272 1 41 . 1 1 12 12 GLY CA C 13 44.371 0.3 . 1 . . . . 174 GLY CA . 19272 1 42 . 1 1 12 12 GLY N N 15 111.573 0.3 . 1 . . . . 174 GLY N . 19272 1 43 . 1 1 13 13 ALA H H 1 8.243 0.020 . 1 . . . . 175 ALA H . 19272 1 44 . 1 1 13 13 ALA C C 13 176.946 0.3 . 1 . . . . 175 ALA C . 19272 1 45 . 1 1 13 13 ALA CA C 13 52.006 0.3 . 1 . . . . 175 ALA CA . 19272 1 46 . 1 1 13 13 ALA CB C 13 18.016 0.3 . 1 . . . . 175 ALA CB . 19272 1 47 . 1 1 13 13 ALA N N 15 125.206 0.3 . 1 . . . . 175 ALA N . 19272 1 48 . 1 1 14 14 GLY H H 1 8.347 0.020 . 1 . . . . 176 GLY H . 19272 1 49 . 1 1 14 14 GLY C C 13 172.695 0.3 . 1 . . . . 176 GLY C . 19272 1 50 . 1 1 14 14 GLY CA C 13 44.685 0.3 . 1 . . . . 176 GLY CA . 19272 1 51 . 1 1 14 14 GLY N N 15 109.392 0.3 . 1 . . . . 176 GLY N . 19272 1 52 . 1 1 15 15 GLU H H 1 8.079 0.020 . 1 . . . . 177 GLU H . 19272 1 53 . 1 1 15 15 GLU C C 13 174.819 0.3 . 1 . . . . 177 GLU C . 19272 1 54 . 1 1 15 15 GLU CA C 13 55.771 0.3 . 1 . . . . 177 GLU CA . 19272 1 55 . 1 1 15 15 GLU CB C 13 29.067 0.3 . 1 . . . . 177 GLU CB . 19272 1 56 . 1 1 15 15 GLU N N 15 121.714 0.3 . 1 . . . . 177 GLU N . 19272 1 57 . 1 1 16 16 ALA H H 1 8.252 0.020 . 1 . . . . 178 ALA H . 19272 1 58 . 1 1 16 16 ALA C C 13 176.228 0.3 . 1 . . . . 178 ALA C . 19272 1 59 . 1 1 16 16 ALA CA C 13 51.868 0.3 . 1 . . . . 178 ALA CA . 19272 1 60 . 1 1 16 16 ALA CB C 13 17.716 0.3 . 1 . . . . 178 ALA CB . 19272 1 61 . 1 1 16 16 ALA N N 15 126.413 0.3 . 1 . . . . 178 ALA N . 19272 1 62 . 1 1 17 17 ARG H H 1 8.164 0.020 . 1 . . . . 179 ARG H . 19272 1 63 . 1 1 17 17 ARG C C 13 174.547 0.3 . 1 . . . . 179 ARG C . 19272 1 64 . 1 1 17 17 ARG CA C 13 55.195 0.3 . 1 . . . . 179 ARG CA . 19272 1 65 . 1 1 17 17 ARG CB C 13 29.372 0.3 . 1 . . . . 179 ARG CB . 19272 1 66 . 1 1 17 17 ARG N N 15 121.476 0.3 . 1 . . . . 179 ARG N . 19272 1 67 . 1 1 19 19 THR H H 1 8.009 0.020 . 1 . . . . 181 THR H . 19272 1 68 . 1 1 19 19 THR C C 13 172.480 0.3 . 1 . . . . 181 THR C . 19272 1 69 . 1 1 19 19 THR CA C 13 61.015 0.3 . 1 . . . . 181 THR CA . 19272 1 70 . 1 1 19 19 THR CB C 13 68.936 0.3 . 1 . . . . 181 THR CB . 19272 1 71 . 1 1 19 19 THR N N 15 114.792 0.3 . 1 . . . . 181 THR N . 19272 1 72 . 1 1 20 20 ALA H H 1 8.189 0.020 . 1 . . . . 182 ALA H . 19272 1 73 . 1 1 20 20 ALA C C 13 174.049 0.3 . 1 . . . . 182 ALA C . 19272 1 74 . 1 1 20 20 ALA CA C 13 49.919 0.3 . 1 . . . . 182 ALA CA . 19272 1 75 . 1 1 20 20 ALA CB C 13 17.114 0.3 . 1 . . . . 182 ALA CB . 19272 1 76 . 1 1 20 20 ALA N N 15 128.929 0.3 . 1 . . . . 182 ALA N . 19272 1 77 . 1 1 21 21 PRO C C 13 175.500 0.3 . 1 . . . . 183 PRO C . 19272 1 78 . 1 1 21 21 PRO CA C 13 62.598 0.3 . 1 . . . . 183 PRO CA . 19272 1 79 . 1 1 21 21 PRO CB C 13 30.725 0.3 . 1 . . . . 183 PRO CB . 19272 1 80 . 1 1 22 22 SER H H 1 8.317 0.020 . 1 . . . . 184 SER H . 19272 1 81 . 1 1 22 22 SER CA C 13 57.833 0.3 . 1 . . . . 184 SER CA . 19272 1 82 . 1 1 22 22 SER CB C 13 62.836 0.3 . 1 . . . . 184 SER CB . 19272 1 83 . 1 1 22 22 SER N N 15 116.547 0.3 . 1 . . . . 184 SER N . 19272 1 84 . 1 1 23 23 THR H H 1 8.069 0.020 . 1 . . . . 185 THR H . 19272 1 85 . 1 1 23 23 THR C C 13 172.932 0.3 . 1 . . . . 185 THR C . 19272 1 86 . 1 1 23 23 THR CA C 13 61.322 0.3 . 1 . . . . 185 THR CA . 19272 1 87 . 1 1 23 23 THR CB C 13 68.637 0.3 . 1 . . . . 185 THR CB . 19272 1 88 . 1 1 23 23 THR N N 15 117.177 0.3 . 1 . . . . 185 THR N . 19272 1 89 . 1 1 24 24 VAL H H 1 7.924 0.020 . 1 . . . . 186 VAL H . 19272 1 90 . 1 1 24 24 VAL CA C 13 61.163 0.3 . 1 . . . . 186 VAL CA . 19272 1 91 . 1 1 24 24 VAL CB C 13 31.735 0.3 . 1 . . . . 186 VAL CB . 19272 1 92 . 1 1 24 24 VAL N N 15 122.336 0.3 . 1 . . . . 186 VAL N . 19272 1 93 . 1 1 25 25 SER H H 1 8.615 0.020 . 1 . . . . 187 SER H . 19272 1 94 . 1 1 25 25 SER C C 13 174.529 0.3 . 1 . . . . 187 SER C . 19272 1 95 . 1 1 25 25 SER CA C 13 55.165 0.3 . 1 . . . . 187 SER CA . 19272 1 96 . 1 1 25 25 SER CB C 13 62.535 0.3 . 1 . . . . 187 SER CB . 19272 1 97 . 1 1 25 25 SER N N 15 121.476 0.3 . 1 . . . . 187 SER N . 19272 1 98 . 1 1 26 26 PRO C C 13 173.868 0.3 . 1 . . . . 188 PRO C . 19272 1 99 . 1 1 26 26 PRO CA C 13 63.633 0.3 . 1 . . . . 188 PRO CA . 19272 1 100 . 1 1 26 26 PRO CB C 13 30.182 0.3 . 1 . . . . 188 PRO CB . 19272 1 101 . 1 1 27 27 TYR H H 1 7.839 0.020 . 1 . . . . 189 TYR H . 19272 1 102 . 1 1 27 27 TYR C C 13 174.766 0.3 . 1 . . . . 189 TYR C . 19272 1 103 . 1 1 27 27 TYR CA C 13 55.376 0.3 . 1 . . . . 189 TYR CA . 19272 1 104 . 1 1 27 27 TYR CB C 13 37.705 0.3 . 1 . . . . 189 TYR CB . 19272 1 105 . 1 1 27 27 TYR N N 15 113.906 0.3 . 1 . . . . 189 TYR N . 19272 1 106 . 1 1 28 28 GLY H H 1 7.306 0.020 . 1 . . . . 190 GLY H . 19272 1 107 . 1 1 28 28 GLY C C 13 169.798 0.3 . 1 . . . . 190 GLY C . 19272 1 108 . 1 1 28 28 GLY CA C 13 44.738 0.3 . 1 . . . . 190 GLY CA . 19272 1 109 . 1 1 28 28 GLY N N 15 109.379 0.3 . 1 . . . . 190 GLY N . 19272 1 110 . 1 1 29 29 PRO C C 13 178.525 0.3 . 1 . . . . 191 PRO C . 19272 1 111 . 1 1 29 29 PRO CA C 13 64.479 0.3 . 1 . . . . 191 PRO CA . 19272 1 112 . 1 1 29 29 PRO CB C 13 30.424 0.3 . 1 . . . . 191 PRO CB . 19272 1 113 . 1 1 30 30 GLU H H 1 8.791 0.020 . 1 . . . . 192 GLU H . 19272 1 114 . 1 1 30 30 GLU C C 13 178.036 0.3 . 1 . . . . 192 GLU C . 19272 1 115 . 1 1 30 30 GLU CA C 13 59.616 0.3 . 1 . . . . 192 GLU CA . 19272 1 116 . 1 1 30 30 GLU CB C 13 26.364 0.3 . 1 . . . . 192 GLU CB . 19272 1 117 . 1 1 30 30 GLU N N 15 119.919 0.3 . 1 . . . . 192 GLU N . 19272 1 118 . 1 1 31 31 ALA H H 1 8.415 0.020 . 1 . . . . 193 ALA H . 19272 1 119 . 1 1 31 31 ALA C C 13 178.302 0.3 . 1 . . . . 193 ALA C . 19272 1 120 . 1 1 31 31 ALA CA C 13 54.537 0.3 . 1 . . . . 193 ALA CA . 19272 1 121 . 1 1 31 31 ALA CB C 13 17.571 0.3 . 1 . . . . 193 ALA CB . 19272 1 122 . 1 1 31 31 ALA N N 15 127.010 0.3 . 1 . . . . 193 ALA N . 19272 1 123 . 1 1 32 32 ARG H H 1 8.161 0.020 . 1 . . . . 194 ARG H . 19272 1 124 . 1 1 32 32 ARG C C 13 177.451 0.3 . 1 . . . . 194 ARG C . 19272 1 125 . 1 1 32 32 ARG CA C 13 59.344 0.3 . 1 . . . . 194 ARG CA . 19272 1 126 . 1 1 32 32 ARG CB C 13 28.244 0.3 . 1 . . . . 194 ARG CB . 19272 1 127 . 1 1 32 32 ARG N N 15 117.311 0.3 . 1 . . . . 194 ARG N . 19272 1 128 . 1 1 33 33 ALA H H 1 8.102 0.020 . 1 . . . . 195 ALA H . 19272 1 129 . 1 1 33 33 ALA C C 13 179.046 0.3 . 1 . . . . 195 ALA C . 19272 1 130 . 1 1 33 33 ALA CA C 13 54.276 0.3 . 1 . . . . 195 ALA CA . 19272 1 131 . 1 1 33 33 ALA CB C 13 16.491 0.3 . 1 . . . . 195 ALA CB . 19272 1 132 . 1 1 33 33 ALA N N 15 123.155 0.3 . 1 . . . . 195 ALA N . 19272 1 133 . 1 1 34 34 GLU H H 1 7.855 0.020 . 1 . . . . 196 GLU H . 19272 1 134 . 1 1 34 34 GLU CA C 13 57.877 0.3 . 1 . . . . 196 GLU CA . 19272 1 135 . 1 1 34 34 GLU CB C 13 27.098 0.3 . 1 . . . . 196 GLU CB . 19272 1 136 . 1 1 34 34 GLU N N 15 122.841 0.3 . 1 . . . . 196 GLU N . 19272 1 137 . 1 1 35 35 LEU H H 1 8.351 0.020 . 1 . . . . 197 LEU H . 19272 1 138 . 1 1 35 35 LEU CA C 13 57.685 0.3 . 1 . . . . 197 LEU CA . 19272 1 139 . 1 1 35 35 LEU CB C 13 39.611 0.3 . 1 . . . . 197 LEU CB . 19272 1 140 . 1 1 35 35 LEU N N 15 121.993 0.3 . 1 . . . . 197 LEU N . 19272 1 141 . 1 1 36 36 SER H H 1 8.152 0.020 . 1 . . . . 198 SER H . 19272 1 142 . 1 1 36 36 SER C C 13 176.441 0.3 . 1 . . . . 198 SER C . 19272 1 143 . 1 1 36 36 SER CA C 13 61.546 0.3 . 1 . . . . 198 SER CA . 19272 1 144 . 1 1 36 36 SER CB C 13 62.309 0.3 . 1 . . . . 198 SER CB . 19272 1 145 . 1 1 36 36 SER N N 15 113.383 0.3 . 1 . . . . 198 SER N . 19272 1 146 . 1 1 37 37 SER H H 1 8.289 0.020 . 1 . . . . 199 SER H . 19272 1 147 . 1 1 37 37 SER CA C 13 61.136 0.3 . 1 . . . . 199 SER CA . 19272 1 148 . 1 1 37 37 SER CB C 13 61.928 0.3 . 1 . . . . 199 SER CB . 19272 1 149 . 1 1 37 37 SER N N 15 119.551 0.3 . 1 . . . . 199 SER N . 19272 1 150 . 1 1 38 38 ARG H H 1 8.292 0.020 . 1 . . . . 200 ARG H . 19272 1 151 . 1 1 38 38 ARG C C 13 179.126 0.3 . 1 . . . . 200 ARG C . 19272 1 152 . 1 1 38 38 ARG CA C 13 59.226 0.3 . 1 . . . . 200 ARG CA . 19272 1 153 . 1 1 38 38 ARG CB C 13 28.912 0.3 . 1 . . . . 200 ARG CB . 19272 1 154 . 1 1 38 38 ARG N N 15 122.877 0.3 . 1 . . . . 200 ARG N . 19272 1 155 . 1 1 39 39 LEU H H 1 8.372 0.020 . 1 . . . . 201 LEU H . 19272 1 156 . 1 1 39 39 LEU C C 13 178.049 0.3 . 1 . . . . 201 LEU C . 19272 1 157 . 1 1 39 39 LEU CA C 13 57.062 0.3 . 1 . . . . 201 LEU CA . 19272 1 158 . 1 1 39 39 LEU CB C 13 38.621 0.3 . 1 . . . . 201 LEU CB . 19272 1 159 . 1 1 39 39 LEU N N 15 119.806 0.3 . 1 . . . . 201 LEU N . 19272 1 160 . 1 1 40 40 THR H H 1 8.656 0.020 . 1 . . . . 202 THR H . 19272 1 161 . 1 1 40 40 THR C C 13 174.290 0.3 . 1 . . . . 202 THR C . 19272 1 162 . 1 1 40 40 THR CA C 13 66.491 0.3 . 1 . . . . 202 THR CA . 19272 1 163 . 1 1 40 40 THR CB C 13 67.348 0.3 . 1 . . . . 202 THR CB . 19272 1 164 . 1 1 40 40 THR N N 15 122.513 0.3 . 1 . . . . 202 THR N . 19272 1 165 . 1 1 41 41 THR H H 1 8.001 0.020 . 1 . . . . 203 THR H . 19272 1 166 . 1 1 41 41 THR C C 13 174.969 0.3 . 1 . . . . 203 THR C . 19272 1 167 . 1 1 41 41 THR CA C 13 66.369 0.3 . 1 . . . . 203 THR CA . 19272 1 168 . 1 1 41 41 THR CB C 13 67.423 0.3 . 1 . . . . 203 THR CB . 19272 1 169 . 1 1 41 41 THR N N 15 121.091 0.3 . 1 . . . . 203 THR N . 19272 1 170 . 1 1 42 42 LEU H H 1 7.247 0.020 . 1 . . . . 204 LEU H . 19272 1 171 . 1 1 42 42 LEU C C 13 176.999 0.3 . 1 . . . . 204 LEU C . 19272 1 172 . 1 1 42 42 LEU CA C 13 57.151 0.3 . 1 . . . . 204 LEU CA . 19272 1 173 . 1 1 42 42 LEU CB C 13 40.500 0.3 . 1 . . . . 204 LEU CB . 19272 1 174 . 1 1 42 42 LEU N N 15 122.363 0.3 . 1 . . . . 204 LEU N . 19272 1 175 . 1 1 43 43 ARG H H 1 8.341 0.020 . 1 . . . . 205 ARG H . 19272 1 176 . 1 1 43 43 ARG CA C 13 59.884 0.3 . 1 . . . . 205 ARG CA . 19272 1 177 . 1 1 43 43 ARG CB C 13 28.579 0.3 . 1 . . . . 205 ARG CB . 19272 1 178 . 1 1 43 43 ARG N N 15 120.799 0.3 . 1 . . . . 205 ARG N . 19272 1 179 . 1 1 44 44 ASN H H 1 8.243 0.020 . 1 . . . . 206 ASN H . 19272 1 180 . 1 1 44 44 ASN CA C 13 55.593 0.3 . 1 . . . . 206 ASN CA . 19272 1 181 . 1 1 44 44 ASN CB C 13 36.177 0.3 . 1 . . . . 206 ASN CB . 19272 1 182 . 1 1 44 44 ASN N N 15 118.507 0.3 . 1 . . . . 206 ASN N . 19272 1 183 . 1 1 45 45 THR H H 1 8.240 0.020 . 1 . . . . 207 THR H . 19272 1 184 . 1 1 45 45 THR CA C 13 65.069 0.3 . 1 . . . . 207 THR CA . 19272 1 185 . 1 1 45 45 THR CB C 13 68.250 0.3 . 1 . . . . 207 THR CB . 19272 1 186 . 1 1 45 45 THR N N 15 117.866 0.3 . 1 . . . . 207 THR N . 19272 1 187 . 1 1 46 46 LEU H H 1 7.730 0.020 . 1 . . . . 208 LEU H . 19272 1 188 . 1 1 46 46 LEU CA C 13 53.713 0.3 . 1 . . . . 208 LEU CA . 19272 1 189 . 1 1 46 46 LEU CB C 13 40.768 0.3 . 1 . . . . 208 LEU CB . 19272 1 190 . 1 1 46 46 LEU N N 15 120.184 0.3 . 1 . . . . 208 LEU N . 19272 1 191 . 1 1 47 47 ALA H H 1 7.356 0.020 . 1 . . . . 209 ALA H . 19272 1 192 . 1 1 47 47 ALA C C 13 173.783 0.3 . 1 . . . . 209 ALA C . 19272 1 193 . 1 1 47 47 ALA CA C 13 50.808 0.3 . 1 . . . . 209 ALA CA . 19272 1 194 . 1 1 47 47 ALA CB C 13 16.512 0.3 . 1 . . . . 209 ALA CB . 19272 1 195 . 1 1 47 47 ALA N N 15 130.711 0.3 . 1 . . . . 209 ALA N . 19272 1 196 . 1 1 48 48 PRO C C 13 176.729 0.3 . 1 . . . . 210 PRO C . 19272 1 197 . 1 1 48 48 PRO CA C 13 61.777 0.3 . 1 . . . . 210 PRO CA . 19272 1 198 . 1 1 48 48 PRO CB C 13 30.655 0.3 . 1 . . . . 210 PRO CB . 19272 1 199 . 1 1 49 49 ALA H H 1 9.804 0.020 . 1 . . . . 211 ALA H . 19272 1 200 . 1 1 49 49 ALA C C 13 176.175 0.3 . 1 . . . . 211 ALA C . 19272 1 201 . 1 1 49 49 ALA CA C 13 49.837 0.3 . 1 . . . . 211 ALA CA . 19272 1 202 . 1 1 49 49 ALA CB C 13 18.919 0.3 . 1 . . . . 211 ALA CB . 19272 1 203 . 1 1 49 49 ALA N N 15 130.479 0.3 . 1 . . . . 211 ALA N . 19272 1 204 . 1 1 50 50 THR H H 1 8.479 0.020 . 1 . . . . 212 THR H . 19272 1 205 . 1 1 50 50 THR C C 13 173.889 0.3 . 1 . . . . 212 THR C . 19272 1 206 . 1 1 50 50 THR CA C 13 64.194 0.3 . 1 . . . . 212 THR CA . 19272 1 207 . 1 1 50 50 THR CB C 13 67.557 0.3 . 1 . . . . 212 THR CB . 19272 1 208 . 1 1 50 50 THR N N 15 119.317 0.3 . 1 . . . . 212 THR N . 19272 1 209 . 1 1 51 51 ASN H H 1 9.353 0.020 . 1 . . . . 213 ASN H . 19272 1 210 . 1 1 51 51 ASN C C 13 173.153 0.3 . 1 . . . . 213 ASN C . 19272 1 211 . 1 1 51 51 ASN CA C 13 53.120 0.3 . 1 . . . . 213 ASN CA . 19272 1 212 . 1 1 51 51 ASN CB C 13 36.065 0.3 . 1 . . . . 213 ASN CB . 19272 1 213 . 1 1 51 51 ASN N N 15 125.334 0.3 . 1 . . . . 213 ASN N . 19272 1 214 . 1 1 52 52 ASP H H 1 7.120 0.020 . 1 . . . . 214 ASP H . 19272 1 215 . 1 1 52 52 ASP C C 13 174.527 0.3 . 1 . . . . 214 ASP C . 19272 1 216 . 1 1 52 52 ASP CA C 13 52.023 0.3 . 1 . . . . 214 ASP CA . 19272 1 217 . 1 1 52 52 ASP CB C 13 42.306 0.3 . 1 . . . . 214 ASP CB . 19272 1 218 . 1 1 52 52 ASP N N 15 121.518 0.3 . 1 . . . . 214 ASP N . 19272 1 219 . 1 1 53 53 PRO C C 13 176.564 0.3 . 1 . . . . 215 PRO C . 19272 1 220 . 1 1 53 53 PRO CA C 13 63.422 0.3 . 1 . . . . 215 PRO CA . 19272 1 221 . 1 1 53 53 PRO CB C 13 31.101 0.3 . 1 . . . . 215 PRO CB . 19272 1 222 . 1 1 54 54 ARG H H 1 9.071 0.020 . 1 . . . . 216 ARG H . 19272 1 223 . 1 1 54 54 ARG C C 13 175.830 0.3 . 1 . . . . 216 ARG C . 19272 1 224 . 1 1 54 54 ARG CA C 13 56.202 0.3 . 1 . . . . 216 ARG CA . 19272 1 225 . 1 1 54 54 ARG CB C 13 29.639 0.3 . 1 . . . . 216 ARG CB . 19272 1 226 . 1 1 54 54 ARG N N 15 116.080 0.3 . 1 . . . . 216 ARG N . 19272 1 227 . 1 1 55 55 TYR H H 1 7.936 0.020 . 1 . . . . 217 TYR H . 19272 1 228 . 1 1 55 55 TYR C C 13 173.331 0.3 . 1 . . . . 217 TYR C . 19272 1 229 . 1 1 55 55 TYR CA C 13 57.526 0.3 . 1 . . . . 217 TYR CA . 19272 1 230 . 1 1 55 55 TYR CB C 13 41.456 0.3 . 1 . . . . 217 TYR CB . 19272 1 231 . 1 1 55 55 TYR N N 15 118.252 0.3 . 1 . . . . 217 TYR N . 19272 1 232 . 1 1 56 56 LEU H H 1 9.096 0.020 . 1 . . . . 218 LEU H . 19272 1 233 . 1 1 56 56 LEU C C 13 175.354 0.3 . 1 . . . . 218 LEU C . 19272 1 234 . 1 1 56 56 LEU CA C 13 55.108 0.3 . 1 . . . . 218 LEU CA . 19272 1 235 . 1 1 56 56 LEU CB C 13 42.786 0.3 . 1 . . . . 218 LEU CB . 19272 1 236 . 1 1 56 56 LEU N N 15 123.633 0.3 . 1 . . . . 218 LEU N . 19272 1 237 . 1 1 57 57 GLN H H 1 8.454 0.020 . 1 . . . . 219 GLN H . 19272 1 238 . 1 1 57 57 GLN C C 13 173.889 0.3 . 1 . . . . 219 GLN C . 19272 1 239 . 1 1 57 57 GLN CA C 13 52.549 0.3 . 1 . . . . 219 GLN CA . 19272 1 240 . 1 1 57 57 GLN CB C 13 28.940 0.3 . 1 . . . . 219 GLN CB . 19272 1 241 . 1 1 57 57 GLN N N 15 124.306 0.3 . 1 . . . . 219 GLN N . 19272 1 242 . 1 1 58 58 ALA H H 1 8.500 0.020 . 1 . . . . 220 ALA H . 19272 1 243 . 1 1 58 58 ALA C C 13 176.388 0.3 . 1 . . . . 220 ALA C . 19272 1 244 . 1 1 58 58 ALA CA C 13 51.845 0.3 . 1 . . . . 220 ALA CA . 19272 1 245 . 1 1 58 58 ALA CB C 13 18.333 0.3 . 1 . . . . 220 ALA CB . 19272 1 246 . 1 1 58 58 ALA N N 15 125.856 0.3 . 1 . . . . 220 ALA N . 19272 1 247 . 1 1 59 59 CYS H H 1 8.793 0.020 . 1 . . . . 221 CYS H . 19272 1 248 . 1 1 59 59 CYS C C 13 173.995 0.3 . 1 . . . . 221 CYS C . 19272 1 249 . 1 1 59 59 CYS CA C 13 57.941 0.3 . 1 . . . . 221 CYS CA . 19272 1 250 . 1 1 59 59 CYS CB C 13 27.734 0.3 . 1 . . . . 221 CYS CB . 19272 1 251 . 1 1 59 59 CYS N N 15 122.256 0.3 . 1 . . . . 221 CYS N . 19272 1 252 . 1 1 60 60 GLY H H 1 8.678 0.020 . 1 . . . . 222 GLY H . 19272 1 253 . 1 1 60 60 GLY C C 13 173.464 0.3 . 1 . . . . 222 GLY C . 19272 1 254 . 1 1 60 60 GLY CA C 13 45.645 0.3 . 1 . . . . 222 GLY CA . 19272 1 255 . 1 1 60 60 GLY N N 15 113.383 0.3 . 1 . . . . 222 GLY N . 19272 1 256 . 1 1 61 61 GLY H H 1 8.496 0.020 . 1 . . . . 223 GLY H . 19272 1 257 . 1 1 61 61 GLY C C 13 172.719 0.3 . 1 . . . . 223 GLY C . 19272 1 258 . 1 1 61 61 GLY CA C 13 44.738 0.3 . 1 . . . . 223 GLY CA . 19272 1 259 . 1 1 61 61 GLY N N 15 111.273 0.3 . 1 . . . . 223 GLY N . 19272 1 260 . 1 1 62 62 GLU H H 1 7.763 0.020 . 1 . . . . 224 GLU H . 19272 1 261 . 1 1 62 62 GLU C C 13 174.345 0.3 . 1 . . . . 224 GLU C . 19272 1 262 . 1 1 62 62 GLU CA C 13 54.780 0.3 . 1 . . . . 224 GLU CA . 19272 1 263 . 1 1 62 62 GLU CB C 13 29.321 0.3 . 1 . . . . 224 GLU CB . 19272 1 264 . 1 1 62 62 GLU N N 15 121.596 0.3 . 1 . . . . 224 GLU N . 19272 1 265 . 1 1 63 63 LYS H H 1 8.243 0.020 . 1 . . . . 225 LYS H . 19272 1 266 . 1 1 63 63 LYS C C 13 173.145 0.3 . 1 . . . . 225 LYS C . 19272 1 267 . 1 1 63 63 LYS CA C 13 56.396 0.3 . 1 . . . . 225 LYS CA . 19272 1 268 . 1 1 63 63 LYS CB C 13 31.324 0.3 . 1 . . . . 225 LYS CB . 19272 1 269 . 1 1 63 63 LYS N N 15 124.430 0.3 . 1 . . . . 225 LYS N . 19272 1 270 . 1 1 64 64 LEU H H 1 8.039 0.020 . 1 . . . . 226 LEU H . 19272 1 271 . 1 1 64 64 LEU C C 13 174.926 0.3 . 1 . . . . 226 LEU C . 19272 1 272 . 1 1 64 64 LEU CA C 13 55.101 0.3 . 1 . . . . 226 LEU CA . 19272 1 273 . 1 1 64 64 LEU CB C 13 43.732 0.3 . 1 . . . . 226 LEU CB . 19272 1 274 . 1 1 64 64 LEU N N 15 126.097 0.3 . 1 . . . . 226 LEU N . 19272 1 275 . 1 1 65 65 ASN H H 1 8.185 0.020 . 1 . . . . 227 ASN H . 19272 1 276 . 1 1 65 65 ASN C C 13 173.038 0.3 . 1 . . . . 227 ASN C . 19272 1 277 . 1 1 65 65 ASN CA C 13 51.928 0.3 . 1 . . . . 227 ASN CA . 19272 1 278 . 1 1 65 65 ASN CB C 13 38.029 0.3 . 1 . . . . 227 ASN CB . 19272 1 279 . 1 1 65 65 ASN N N 15 118.116 0.3 . 1 . . . . 227 ASN N . 19272 1 280 . 1 1 66 66 ARG H H 1 9.149 0.020 . 1 . . . . 228 ARG H . 19272 1 281 . 1 1 66 66 ARG C C 13 173.730 0.3 . 1 . . . . 228 ARG C . 19272 1 282 . 1 1 66 66 ARG CA C 13 58.729 0.3 . 1 . . . . 228 ARG CA . 19272 1 283 . 1 1 66 66 ARG CB C 13 29.447 0.3 . 1 . . . . 228 ARG CB . 19272 1 284 . 1 1 66 66 ARG N N 15 127.378 0.3 . 1 . . . . 228 ARG N . 19272 1 285 . 1 1 67 67 PHE H H 1 9.230 0.020 . 1 . . . . 229 PHE H . 19272 1 286 . 1 1 67 67 PHE C C 13 174.950 0.3 . 1 . . . . 229 PHE C . 19272 1 287 . 1 1 67 67 PHE CB C 13 39.524 0.3 . 1 . . . . 229 PHE CB . 19272 1 288 . 1 1 67 67 PHE N N 15 118.141 0.3 . 1 . . . . 229 PHE N . 19272 1 289 . 1 1 68 68 ARG H H 1 8.662 0.020 . 1 . . . . 230 ARG H . 19272 1 290 . 1 1 68 68 ARG CA C 13 58.396 0.3 . 1 . . . . 230 ARG CA . 19272 1 291 . 1 1 68 68 ARG CB C 13 28.620 0.3 . 1 . . . . 230 ARG CB . 19272 1 292 . 1 1 68 68 ARG N N 15 124.176 0.3 . 1 . . . . 230 ARG N . 19272 1 293 . 1 1 69 69 ASP H H 1 8.702 0.020 . 1 . . . . 231 ASP H . 19272 1 294 . 1 1 69 69 ASP C C 13 174.155 0.3 . 1 . . . . 231 ASP C . 19272 1 295 . 1 1 69 69 ASP CA C 13 52.810 0.3 . 1 . . . . 231 ASP CA . 19272 1 296 . 1 1 69 69 ASP CB C 13 38.912 0.3 . 1 . . . . 231 ASP CB . 19272 1 297 . 1 1 69 69 ASP N N 15 113.385 0.3 . 1 . . . . 231 ASP N . 19272 1 298 . 1 1 70 70 ILE H H 1 7.549 0.020 . 1 . . . . 232 ILE H . 19272 1 299 . 1 1 70 70 ILE C C 13 172.640 0.3 . 1 . . . . 232 ILE C . 19272 1 300 . 1 1 70 70 ILE CA C 13 60.380 0.3 . 1 . . . . 232 ILE CA . 19272 1 301 . 1 1 70 70 ILE CB C 13 34.911 0.3 . 1 . . . . 232 ILE CB . 19272 1 302 . 1 1 70 70 ILE N N 15 124.300 0.3 . 1 . . . . 232 ILE N . 19272 1 303 . 1 1 71 71 GLN H H 1 7.954 0.020 . 1 . . . . 233 GLN H . 19272 1 304 . 1 1 71 71 GLN C C 13 172.028 0.3 . 1 . . . . 233 GLN C . 19272 1 305 . 1 1 71 71 GLN CA C 13 55.159 0.3 . 1 . . . . 233 GLN CA . 19272 1 306 . 1 1 71 71 GLN CB C 13 27.641 0.3 . 1 . . . . 233 GLN CB . 19272 1 307 . 1 1 71 71 GLN N N 15 125.467 0.3 . 1 . . . . 233 GLN N . 19272 1 308 . 1 1 72 72 CYS H H 1 9.522 0.020 . 1 . . . . 234 CYS H . 19272 1 309 . 1 1 72 72 CYS C C 13 173.337 0.3 . 1 . . . . 234 CYS C . 19272 1 310 . 1 1 72 72 CYS CA C 13 56.026 0.3 . 1 . . . . 234 CYS CA . 19272 1 311 . 1 1 72 72 CYS CB C 13 27.416 0.3 . 1 . . . . 234 CYS CB . 19272 1 312 . 1 1 72 72 CYS N N 15 121.475 0.3 . 1 . . . . 234 CYS N . 19272 1 313 . 1 1 73 73 ARG H H 1 8.133 0.020 . 1 . . . . 235 ARG H . 19272 1 314 . 1 1 73 73 ARG C C 13 174.633 0.3 . 1 . . . . 235 ARG C . 19272 1 315 . 1 1 73 73 ARG CA C 13 55.965 0.3 . 1 . . . . 235 ARG CA . 19272 1 316 . 1 1 73 73 ARG CB C 13 27.479 0.3 . 1 . . . . 235 ARG CB . 19272 1 317 . 1 1 73 73 ARG N N 15 132.435 0.3 . 1 . . . . 235 ARG N . 19272 1 318 . 1 1 74 74 ARG H H 1 8.898 0.020 . 1 . . . . 236 ARG H . 19272 1 319 . 1 1 74 74 ARG C C 13 178.382 0.3 . 1 . . . . 236 ARG C . 19272 1 320 . 1 1 74 74 ARG CA C 13 59.300 0.3 . 1 . . . . 236 ARG CA . 19272 1 321 . 1 1 74 74 ARG CB C 13 28.940 0.3 . 1 . . . . 236 ARG CB . 19272 1 322 . 1 1 74 74 ARG N N 15 127.990 0.3 . 1 . . . . 236 ARG N . 19272 1 323 . 1 1 75 75 GLN H H 1 8.612 0.020 . 1 . . . . 237 GLN H . 19272 1 324 . 1 1 75 75 GLN C C 13 174.952 0.3 . 1 . . . . 237 GLN C . 19272 1 325 . 1 1 75 75 GLN CA C 13 58.425 0.3 . 1 . . . . 237 GLN CA . 19272 1 326 . 1 1 75 75 GLN CB C 13 27.670 0.3 . 1 . . . . 237 GLN CB . 19272 1 327 . 1 1 75 75 GLN N N 15 117.752 0.3 . 1 . . . . 237 GLN N . 19272 1 328 . 1 1 76 76 THR H H 1 6.697 0.020 . 1 . . . . 238 THR H . 19272 1 329 . 1 1 76 76 THR C C 13 172.035 0.3 . 1 . . . . 238 THR C . 19272 1 330 . 1 1 76 76 THR CA C 13 58.994 0.3 . 1 . . . . 238 THR CA . 19272 1 331 . 1 1 76 76 THR CB C 13 67.084 0.3 . 1 . . . . 238 THR CB . 19272 1 332 . 1 1 76 76 THR N N 15 104.772 0.3 . 1 . . . . 238 THR N . 19272 1 333 . 1 1 77 77 ALA H H 1 7.243 0.020 . 1 . . . . 239 ALA H . 19272 1 334 . 1 1 77 77 ALA C C 13 176.105 0.3 . 1 . . . . 239 ALA C . 19272 1 335 . 1 1 77 77 ALA CA C 13 52.497 0.3 . 1 . . . . 239 ALA CA . 19272 1 336 . 1 1 77 77 ALA CB C 13 17.698 0.3 . 1 . . . . 239 ALA CB . 19272 1 337 . 1 1 77 77 ALA N N 15 127.390 0.3 . 1 . . . . 239 ALA N . 19272 1 338 . 1 1 78 78 VAL H H 1 7.140 0.020 . 1 . . . . 240 VAL H . 19272 1 339 . 1 1 78 78 VAL CA C 13 63.829 0.3 . 1 . . . . 240 VAL CA . 19272 1 340 . 1 1 78 78 VAL CB C 13 31.477 0.3 . 1 . . . . 240 VAL CB . 19272 1 341 . 1 1 78 78 VAL N N 15 124.696 0.3 . 1 . . . . 240 VAL N . 19272 1 342 . 1 1 79 79 ARG H H 1 9.009 0.020 . 1 . . . . 241 ARG H . 19272 1 343 . 1 1 79 79 ARG CA C 13 54.718 0.3 . 1 . . . . 241 ARG CA . 19272 1 344 . 1 1 79 79 ARG CB C 13 34.530 0.3 . 1 . . . . 241 ARG CB . 19272 1 345 . 1 1 79 79 ARG N N 15 119.051 0.3 . 1 . . . . 241 ARG N . 19272 1 346 . 1 1 80 80 ALA H H 1 8.273 0.020 . 1 . . . . 242 ALA H . 19272 1 347 . 1 1 80 80 ALA C C 13 174.740 0.3 . 1 . . . . 242 ALA C . 19272 1 348 . 1 1 80 80 ALA CA C 13 53.597 0.3 . 1 . . . . 242 ALA CA . 19272 1 349 . 1 1 80 80 ALA CB C 13 17.640 0.3 . 1 . . . . 242 ALA CB . 19272 1 350 . 1 1 80 80 ALA N N 15 120.872 0.3 . 1 . . . . 242 ALA N . 19272 1 351 . 1 1 81 81 ASP H H 1 7.854 0.020 . 1 . . . . 243 ASP H . 19272 1 352 . 1 1 81 81 ASP C C 13 173.171 0.3 . 1 . . . . 243 ASP C . 19272 1 353 . 1 1 81 81 ASP CA C 13 51.213 0.3 . 1 . . . . 243 ASP CA . 19272 1 354 . 1 1 81 81 ASP CB C 13 39.243 0.3 . 1 . . . . 243 ASP CB . 19272 1 355 . 1 1 81 81 ASP N N 15 112.876 0.3 . 1 . . . . 243 ASP N . 19272 1 356 . 1 1 82 82 LEU H H 1 7.086 0.020 . 1 . . . . 244 LEU H . 19272 1 357 . 1 1 82 82 LEU C C 13 172.906 0.3 . 1 . . . . 244 LEU C . 19272 1 358 . 1 1 82 82 LEU CA C 13 52.315 0.3 . 1 . . . . 244 LEU CA . 19272 1 359 . 1 1 82 82 LEU CB C 13 45.117 0.3 . 1 . . . . 244 LEU CB . 19272 1 360 . 1 1 82 82 LEU N N 15 116.557 0.3 . 1 . . . . 244 LEU N . 19272 1 361 . 1 1 83 83 ASN H H 1 8.810 0.020 . 1 . . . . 245 ASN H . 19272 1 362 . 1 1 83 83 ASN C C 13 170.752 0.3 . 1 . . . . 245 ASN C . 19272 1 363 . 1 1 83 83 ASN CA C 13 51.362 0.3 . 1 . . . . 245 ASN CA . 19272 1 364 . 1 1 83 83 ASN CB C 13 37.391 0.3 . 1 . . . . 245 ASN CB . 19272 1 365 . 1 1 83 83 ASN N N 15 120.073 0.3 . 1 . . . . 245 ASN N . 19272 1 366 . 1 1 84 84 ALA H H 1 7.120 0.020 . 1 . . . . 246 ALA H . 19272 1 367 . 1 1 84 84 ALA CA C 13 51.252 0.3 . 1 . . . . 246 ALA CA . 19272 1 368 . 1 1 84 84 ALA CB C 13 19.985 0.3 . 1 . . . . 246 ALA CB . 19272 1 369 . 1 1 84 84 ALA N N 15 125.070 0.3 . 1 . . . . 246 ALA N . 19272 1 370 . 1 1 85 85 ASN H H 1 9.299 0.020 . 1 . . . . 247 ASN H . 19272 1 371 . 1 1 85 85 ASN CA C 13 54.219 0.3 . 1 . . . . 247 ASN CA . 19272 1 372 . 1 1 85 85 ASN CB C 13 44.501 0.3 . 1 . . . . 247 ASN CB . 19272 1 373 . 1 1 85 85 ASN N N 15 121.086 0.3 . 1 . . . . 247 ASN N . 19272 1 374 . 1 1 86 86 TYR H H 1 8.936 0.020 . 1 . . . . 248 TYR H . 19272 1 375 . 1 1 86 86 TYR CA C 13 58.411 0.3 . 1 . . . . 248 TYR CA . 19272 1 376 . 1 1 86 86 TYR CB C 13 37.451 0.3 . 1 . . . . 248 TYR CB . 19272 1 377 . 1 1 86 86 TYR N N 15 123.033 0.3 . 1 . . . . 248 TYR N . 19272 1 378 . 1 1 87 87 ILE H H 1 8.365 0.020 . 1 . . . . 249 ILE H . 19272 1 379 . 1 1 87 87 ILE C C 13 174.102 0.3 . 1 . . . . 249 ILE C . 19272 1 380 . 1 1 87 87 ILE CA C 13 57.758 0.3 . 1 . . . . 249 ILE CA . 19272 1 381 . 1 1 87 87 ILE CB C 13 37.135 0.3 . 1 . . . . 249 ILE CB . 19272 1 382 . 1 1 87 87 ILE N N 15 123.396 0.3 . 1 . . . . 249 ILE N . 19272 1 383 . 1 1 88 88 GLN H H 1 9.965 0.020 . 1 . . . . 250 GLN H . 19272 1 384 . 1 1 88 88 GLN C C 13 173.065 0.3 . 1 . . . . 250 GLN C . 19272 1 385 . 1 1 88 88 GLN CA C 13 53.567 0.3 . 1 . . . . 250 GLN CA . 19272 1 386 . 1 1 88 88 GLN CB C 13 27.868 0.3 . 1 . . . . 250 GLN CB . 19272 1 387 . 1 1 88 88 GLN N N 15 130.485 0.3 . 1 . . . . 250 GLN N . 19272 1 388 . 1 1 89 89 VAL H H 1 8.192 0.020 . 1 . . . . 251 VAL H . 19272 1 389 . 1 1 89 89 VAL C C 13 174.547 0.3 . 1 . . . . 251 VAL C . 19272 1 390 . 1 1 89 89 VAL CA C 13 59.229 0.3 . 1 . . . . 251 VAL CA . 19272 1 391 . 1 1 89 89 VAL CB C 13 31.708 0.3 . 1 . . . . 251 VAL CB . 19272 1 392 . 1 1 89 89 VAL N N 15 128.291 0.3 . 1 . . . . 251 VAL N . 19272 1 393 . 1 1 90 90 GLY H H 1 8.971 0.020 . 1 . . . . 252 GLY H . 19272 1 394 . 1 1 90 90 GLY C C 13 173.251 0.3 . 1 . . . . 252 GLY C . 19272 1 395 . 1 1 90 90 GLY CA C 13 46.196 0.3 . 1 . . . . 252 GLY CA . 19272 1 396 . 1 1 90 90 GLY N N 15 117.112 0.3 . 1 . . . . 252 GLY N . 19272 1 397 . 1 1 91 91 ASN H H 1 9.667 0.020 . 1 . . . . 253 ASN H . 19272 1 398 . 1 1 91 91 ASN C C 13 172.894 0.3 . 1 . . . . 253 ASN C . 19272 1 399 . 1 1 91 91 ASN CA C 13 53.445 0.3 . 1 . . . . 253 ASN CA . 19272 1 400 . 1 1 91 91 ASN CB C 13 39.498 0.3 . 1 . . . . 253 ASN CB . 19272 1 401 . 1 1 91 91 ASN N N 15 127.771 0.3 . 1 . . . . 253 ASN N . 19272 1 402 . 1 1 92 92 THR H H 1 8.442 0.020 . 1 . . . . 254 THR H . 19272 1 403 . 1 1 92 92 THR CA C 13 62.886 0.3 . 1 . . . . 254 THR CA . 19272 1 404 . 1 1 92 92 THR CB C 13 67.811 0.3 . 1 . . . . 254 THR CB . 19272 1 405 . 1 1 92 92 THR N N 15 120.192 0.3 . 1 . . . . 254 THR N . 19272 1 406 . 1 1 93 93 ARG H H 1 8.545 0.020 . 1 . . . . 255 ARG H . 19272 1 407 . 1 1 93 93 ARG C C 13 174.254 0.3 . 1 . . . . 255 ARG C . 19272 1 408 . 1 1 93 93 ARG CA C 13 54.543 0.3 . 1 . . . . 255 ARG CA . 19272 1 409 . 1 1 93 93 ARG CB C 13 30.876 0.3 . 1 . . . . 255 ARG CB . 19272 1 410 . 1 1 93 93 ARG N N 15 130.500 0.3 . 1 . . . . 255 ARG N . 19272 1 411 . 1 1 94 94 THR H H 1 9.093 0.020 . 1 . . . . 256 THR H . 19272 1 412 . 1 1 94 94 THR C C 13 173.278 0.3 . 1 . . . . 256 THR C . 19272 1 413 . 1 1 94 94 THR CA C 13 60.525 0.3 . 1 . . . . 256 THR CA . 19272 1 414 . 1 1 94 94 THR CB C 13 73.439 0.3 . 1 . . . . 256 THR CB . 19272 1 415 . 1 1 94 94 THR N N 15 113.480 0.3 . 1 . . . . 256 THR N . 19272 1 416 . 1 1 95 95 ILE H H 1 9.040 0.020 . 1 . . . . 257 ILE H . 19272 1 417 . 1 1 95 95 ILE C C 13 172.268 0.3 . 1 . . . . 257 ILE C . 19272 1 418 . 1 1 95 95 ILE CA C 13 61.093 0.3 . 1 . . . . 257 ILE CA . 19272 1 419 . 1 1 95 95 ILE CB C 13 40.160 0.3 . 1 . . . . 257 ILE CB . 19272 1 420 . 1 1 95 95 ILE N N 15 124.173 0.3 . 1 . . . . 257 ILE N . 19272 1 421 . 1 1 96 96 ALA H H 1 8.296 0.020 . 1 . . . . 258 ALA H . 19272 1 422 . 1 1 96 96 ALA C C 13 174.660 0.3 . 1 . . . . 258 ALA C . 19272 1 423 . 1 1 96 96 ALA CA C 13 48.615 0.3 . 1 . . . . 258 ALA CA . 19272 1 424 . 1 1 96 96 ALA CB C 13 21.192 0.3 . 1 . . . . 258 ALA CB . 19272 1 425 . 1 1 96 96 ALA N N 15 127.775 0.3 . 1 . . . . 258 ALA N . 19272 1 426 . 1 1 97 97 CYS H H 1 8.417 0.020 . 1 . . . . 259 CYS H . 19272 1 427 . 1 1 97 97 CYS C C 13 169.596 0.3 . 1 . . . . 259 CYS C . 19272 1 428 . 1 1 97 97 CYS CA C 13 54.346 0.3 . 1 . . . . 259 CYS CA . 19272 1 429 . 1 1 97 97 CYS CB C 13 32.561 0.3 . 1 . . . . 259 CYS CB . 19272 1 430 . 1 1 97 97 CYS N N 15 117.412 0.3 . 1 . . . . 259 CYS N . 19272 1 431 . 1 1 98 98 GLN H H 1 7.431 0.020 . 1 . . . . 260 GLN H . 19272 1 432 . 1 1 98 98 GLN C C 13 173.278 0.3 . 1 . . . . 260 GLN C . 19272 1 433 . 1 1 98 98 GLN CA C 13 51.460 0.3 . 1 . . . . 260 GLN CA . 19272 1 434 . 1 1 98 98 GLN CB C 13 27.040 0.3 . 1 . . . . 260 GLN CB . 19272 1 435 . 1 1 98 98 GLN N N 15 112.206 0.3 . 1 . . . . 260 GLN N . 19272 1 436 . 1 1 99 99 TYR H H 1 8.053 0.020 . 1 . . . . 261 TYR H . 19272 1 437 . 1 1 99 99 TYR C C 13 173.923 0.3 . 1 . . . . 261 TYR C . 19272 1 438 . 1 1 99 99 TYR CA C 13 55.101 0.3 . 1 . . . . 261 TYR CA . 19272 1 439 . 1 1 99 99 TYR CB C 13 34.847 0.3 . 1 . . . . 261 TYR CB . 19272 1 440 . 1 1 99 99 TYR N N 15 125.189 0.3 . 1 . . . . 261 TYR N . 19272 1 441 . 1 1 100 100 PRO C C 13 175.482 0.3 . 1 . . . . 262 PRO C . 19272 1 442 . 1 1 100 100 PRO CA C 13 62.427 0.3 . 1 . . . . 262 PRO CA . 19272 1 443 . 1 1 100 100 PRO CB C 13 28.695 0.3 . 1 . . . . 262 PRO CB . 19272 1 444 . 1 1 101 101 LEU H H 1 7.613 0.020 . 1 . . . . 263 LEU H . 19272 1 445 . 1 1 101 101 LEU C C 13 177.265 0.3 . 1 . . . . 263 LEU C . 19272 1 446 . 1 1 101 101 LEU CA C 13 53.327 0.3 . 1 . . . . 263 LEU CA . 19272 1 447 . 1 1 101 101 LEU CB C 13 40.877 0.3 . 1 . . . . 263 LEU CB . 19272 1 448 . 1 1 101 101 LEU N N 15 120.184 0.3 . 1 . . . . 263 LEU N . 19272 1 449 . 1 1 102 102 GLN H H 1 8.997 0.020 . 1 . . . . 264 GLN H . 19272 1 450 . 1 1 102 102 GLN C C 13 176.820 0.3 . 1 . . . . 264 GLN C . 19272 1 451 . 1 1 102 102 GLN CA C 13 59.491 0.3 . 1 . . . . 264 GLN CA . 19272 1 452 . 1 1 102 102 GLN CB C 13 26.439 0.3 . 1 . . . . 264 GLN CB . 19272 1 453 . 1 1 102 102 GLN N N 15 123.530 0.3 . 1 . . . . 264 GLN N . 19272 1 454 . 1 1 103 103 SER H H 1 8.046 0.020 . 1 . . . . 265 SER H . 19272 1 455 . 1 1 103 103 SER C C 13 173.916 0.3 . 1 . . . . 265 SER C . 19272 1 456 . 1 1 103 103 SER CA C 13 59.491 0.3 . 1 . . . . 265 SER CA . 19272 1 457 . 1 1 103 103 SER CB C 13 61.407 0.3 . 1 . . . . 265 SER CB . 19272 1 458 . 1 1 103 103 SER N N 15 111.447 0.3 . 1 . . . . 265 SER N . 19272 1 459 . 1 1 104 104 GLN H H 1 7.457 0.020 . 1 . . . . 266 GLN H . 19272 1 460 . 1 1 104 104 GLN C C 13 175.059 0.3 . 1 . . . . 266 GLN C . 19272 1 461 . 1 1 104 104 GLN CA C 13 54.246 0.3 . 1 . . . . 266 GLN CA . 19272 1 462 . 1 1 104 104 GLN CB C 13 27.588 0.3 . 1 . . . . 266 GLN CB . 19272 1 463 . 1 1 104 104 GLN N N 15 120.232 0.3 . 1 . . . . 266 GLN N . 19272 1 464 . 1 1 105 105 LEU H H 1 7.016 0.020 . 1 . . . . 267 LEU H . 19272 1 465 . 1 1 105 105 LEU C C 13 175.830 0.3 . 1 . . . . 267 LEU C . 19272 1 466 . 1 1 105 105 LEU CA C 13 58.188 0.3 . 1 . . . . 267 LEU CA . 19272 1 467 . 1 1 105 105 LEU CB C 13 39.738 0.3 . 1 . . . . 267 LEU CB . 19272 1 468 . 1 1 105 105 LEU N N 15 119.989 0.3 . 1 . . . . 267 LEU N . 19272 1 469 . 1 1 106 106 GLU H H 1 8.684 0.020 . 1 . . . . 268 GLU H . 19272 1 470 . 1 1 106 106 GLU CA C 13 60.868 0.3 . 1 . . . . 268 GLU CA . 19272 1 471 . 1 1 106 106 GLU CB C 13 27.812 0.3 . 1 . . . . 268 GLU CB . 19272 1 472 . 1 1 106 106 GLU N N 15 120.162 0.3 . 1 . . . . 268 GLU N . 19272 1 473 . 1 1 107 107 SER H H 1 8.164 0.020 . 1 . . . . 269 SER H . 19272 1 474 . 1 1 107 107 SER C C 13 176.564 0.3 . 1 . . . . 269 SER C . 19272 1 475 . 1 1 107 107 SER CA C 13 61.182 0.3 . 1 . . . . 269 SER CA . 19272 1 476 . 1 1 107 107 SER CB C 13 62.159 0.3 . 1 . . . . 269 SER CB . 19272 1 477 . 1 1 107 107 SER N N 15 115.694 0.3 . 1 . . . . 269 SER N . 19272 1 478 . 1 1 108 108 HIS H H 1 8.812 0.020 . 1 . . . . 270 HIS H . 19272 1 479 . 1 1 108 108 HIS CA C 13 59.808 0.3 . 1 . . . . 270 HIS CA . 19272 1 480 . 1 1 108 108 HIS CB C 13 30.719 0.3 . 1 . . . . 270 HIS CB . 19272 1 481 . 1 1 108 108 HIS N N 15 123.664 0.3 . 1 . . . . 270 HIS N . 19272 1 482 . 1 1 109 109 PHE H H 1 8.696 0.020 . 1 . . . . 271 PHE H . 19272 1 483 . 1 1 109 109 PHE C C 13 176.802 0.3 . 1 . . . . 271 PHE C . 19272 1 484 . 1 1 109 109 PHE CA C 13 62.693 0.3 . 1 . . . . 271 PHE CA . 19272 1 485 . 1 1 109 109 PHE CB C 13 38.020 0.3 . 1 . . . . 271 PHE CB . 19272 1 486 . 1 1 109 109 PHE N N 15 118.027 0.3 . 1 . . . . 271 PHE N . 19272 1 487 . 1 1 110 110 ARG H H 1 8.380 0.020 . 1 . . . . 272 ARG H . 19272 1 488 . 1 1 110 110 ARG C C 13 177.150 0.3 . 1 . . . . 272 ARG C . 19272 1 489 . 1 1 110 110 ARG CA C 13 59.937 0.3 . 1 . . . . 272 ARG CA . 19272 1 490 . 1 1 110 110 ARG CB C 13 29.823 0.3 . 1 . . . . 272 ARG CB . 19272 1 491 . 1 1 110 110 ARG N N 15 121.354 0.3 . 1 . . . . 272 ARG N . 19272 1 492 . 1 1 111 111 MET H H 1 8.388 0.020 . 1 . . . . 273 MET H . 19272 1 493 . 1 1 111 111 MET CA C 13 58.100 0.3 . 1 . . . . 273 MET CA . 19272 1 494 . 1 1 111 111 MET N N 15 121.725 0.3 . 1 . . . . 273 MET N . 19272 1 495 . 1 1 112 112 LEU H H 1 8.180 0.020 . 1 . . . . 274 LEU H . 19272 1 496 . 1 1 112 112 LEU C C 13 179.631 0.3 . 1 . . . . 274 LEU C . 19272 1 497 . 1 1 112 112 LEU CA C 13 55.906 0.3 . 1 . . . . 274 LEU CA . 19272 1 498 . 1 1 112 112 LEU CB C 13 40.754 0.3 . 1 . . . . 274 LEU CB . 19272 1 499 . 1 1 112 112 LEU N N 15 118.638 0.3 . 1 . . . . 274 LEU N . 19272 1 500 . 1 1 113 113 ALA H H 1 8.627 0.020 . 1 . . . . 275 ALA H . 19272 1 501 . 1 1 113 113 ALA C C 13 179.919 0.3 . 1 . . . . 275 ALA C . 19272 1 502 . 1 1 113 113 ALA CA C 13 54.483 0.3 . 1 . . . . 275 ALA CA . 19272 1 503 . 1 1 113 113 ALA CB C 13 17.063 0.3 . 1 . . . . 275 ALA CB . 19272 1 504 . 1 1 113 113 ALA N N 15 123.900 0.3 . 1 . . . . 275 ALA N . 19272 1 505 . 1 1 114 114 GLU H H 1 9.198 0.020 . 1 . . . . 276 GLU H . 19272 1 506 . 1 1 114 114 GLU C C 13 176.435 0.3 . 1 . . . . 276 GLU C . 19272 1 507 . 1 1 114 114 GLU CA C 13 58.983 0.3 . 1 . . . . 276 GLU CA . 19272 1 508 . 1 1 114 114 GLU CB C 13 27.988 0.3 . 1 . . . . 276 GLU CB . 19272 1 509 . 1 1 114 114 GLU N N 15 123.932 0.3 . 1 . . . . 276 GLU N . 19272 1 510 . 1 1 115 115 ASN H H 1 7.330 0.020 . 1 . . . . 277 ASN H . 19272 1 511 . 1 1 115 115 ASN C C 13 172.420 0.3 . 1 . . . . 277 ASN C . 19272 1 512 . 1 1 115 115 ASN CA C 13 52.972 0.3 . 1 . . . . 277 ASN CA . 19272 1 513 . 1 1 115 115 ASN CB C 13 39.223 0.3 . 1 . . . . 277 ASN CB . 19272 1 514 . 1 1 115 115 ASN N N 15 113.249 0.3 . 1 . . . . 277 ASN N . 19272 1 515 . 1 1 116 116 ARG H H 1 8.046 0.020 . 1 . . . . 278 ARG H . 19272 1 516 . 1 1 116 116 ARG C C 13 172.746 0.3 . 1 . . . . 278 ARG C . 19272 1 517 . 1 1 116 116 ARG CA C 13 56.218 0.3 . 1 . . . . 278 ARG CA . 19272 1 518 . 1 1 116 116 ARG CB C 13 24.748 0.3 . 1 . . . . 278 ARG CB . 19272 1 519 . 1 1 116 116 ARG N N 15 118.655 0.3 . 1 . . . . 278 ARG N . 19272 1 520 . 1 1 117 117 THR H H 1 6.556 0.020 . 1 . . . . 279 THR H . 19272 1 521 . 1 1 117 117 THR C C 13 173.464 0.3 . 1 . . . . 279 THR C . 19272 1 522 . 1 1 117 117 THR CA C 13 61.099 0.3 . 1 . . . . 279 THR CA . 19272 1 523 . 1 1 117 117 THR CB C 13 69.604 0.3 . 1 . . . . 279 THR CB . 19272 1 524 . 1 1 117 117 THR N N 15 108.806 0.3 . 1 . . . . 279 THR N . 19272 1 525 . 1 1 118 118 PRO C C 13 172.017 0.3 . 1 . . . . 280 PRO C . 19272 1 526 . 1 1 118 118 PRO CA C 13 63.019 0.3 . 1 . . . . 280 PRO CA . 19272 1 527 . 1 1 118 118 PRO CB C 13 30.500 0.3 . 1 . . . . 280 PRO CB . 19272 1 528 . 1 1 119 119 VAL H H 1 6.191 0.020 . 1 . . . . 281 VAL H . 19272 1 529 . 1 1 119 119 VAL C C 13 168.440 0.3 . 1 . . . . 281 VAL C . 19272 1 530 . 1 1 119 119 VAL CA C 13 60.716 0.3 . 1 . . . . 281 VAL CA . 19272 1 531 . 1 1 119 119 VAL CB C 13 30.430 0.3 . 1 . . . . 281 VAL CB . 19272 1 532 . 1 1 119 119 VAL N N 15 109.831 0.3 . 1 . . . . 281 VAL N . 19272 1 533 . 1 1 120 120 LEU H H 1 8.742 0.020 . 1 . . . . 282 LEU H . 19272 1 534 . 1 1 120 120 LEU C C 13 171.980 0.3 . 1 . . . . 282 LEU C . 19272 1 535 . 1 1 120 120 LEU CA C 13 51.565 0.3 . 1 . . . . 282 LEU CA . 19272 1 536 . 1 1 120 120 LEU CB C 13 43.549 0.3 . 1 . . . . 282 LEU CB . 19272 1 537 . 1 1 120 120 LEU N N 15 132.780 0.3 . 1 . . . . 282 LEU N . 19272 1 538 . 1 1 121 121 ALA H H 1 9.542 0.020 . 1 . . . . 283 ALA H . 19272 1 539 . 1 1 121 121 ALA C C 13 172.512 0.3 . 1 . . . . 283 ALA C . 19272 1 540 . 1 1 121 121 ALA CA C 13 48.757 0.3 . 1 . . . . 283 ALA CA . 19272 1 541 . 1 1 121 121 ALA CB C 13 18.919 0.3 . 1 . . . . 283 ALA CB . 19272 1 542 . 1 1 121 121 ALA N N 15 131.547 0.3 . 1 . . . . 283 ALA N . 19272 1 543 . 1 1 122 122 VAL H H 1 8.645 0.020 . 1 . . . . 284 VAL H . 19272 1 544 . 1 1 122 122 VAL C C 13 174.660 0.3 . 1 . . . . 284 VAL C . 19272 1 545 . 1 1 122 122 VAL CA C 13 60.557 0.3 . 1 . . . . 284 VAL CA . 19272 1 546 . 1 1 122 122 VAL CB C 13 31.346 0.3 . 1 . . . . 284 VAL CB . 19272 1 547 . 1 1 122 122 VAL N N 15 122.189 0.3 . 1 . . . . 284 VAL N . 19272 1 548 . 1 1 123 123 LEU H H 1 8.834 0.020 . 1 . . . . 285 LEU H . 19272 1 549 . 1 1 123 123 LEU C C 13 173.969 0.3 . 1 . . . . 285 LEU C . 19272 1 550 . 1 1 123 123 LEU CA C 13 52.314 0.3 . 1 . . . . 285 LEU CA . 19272 1 551 . 1 1 123 123 LEU CB C 13 39.992 0.3 . 1 . . . . 285 LEU CB . 19272 1 552 . 1 1 123 123 LEU N N 15 126.531 0.3 . 1 . . . . 285 LEU N . 19272 1 553 . 1 1 124 124 ALA H H 1 6.443 0.020 . 1 . . . . 286 ALA H . 19272 1 554 . 1 1 124 124 ALA CA C 13 50.156 0.3 . 1 . . . . 286 ALA CA . 19272 1 555 . 1 1 124 124 ALA CB C 13 19.159 0.3 . 1 . . . . 286 ALA CB . 19272 1 556 . 1 1 124 124 ALA N N 15 119.832 0.3 . 1 . . . . 286 ALA N . 19272 1 557 . 1 1 125 125 SER H H 1 9.440 0.020 . 1 . . . . 287 SER H . 19272 1 558 . 1 1 125 125 SER C C 13 174.400 0.3 . 1 . . . . 287 SER C . 19272 1 559 . 1 1 125 125 SER CA C 13 57.388 0.3 . 1 . . . . 287 SER CA . 19272 1 560 . 1 1 125 125 SER CB C 13 65.092 0.3 . 1 . . . . 287 SER CB . 19272 1 561 . 1 1 125 125 SER N N 15 121.829 0.3 . 1 . . . . 287 SER N . 19272 1 562 . 1 1 128 128 GLU H H 1 7.670 0.020 . 1 . . . . 290 GLU H . 19272 1 563 . 1 1 128 128 GLU C C 13 176.142 0.3 . 1 . . . . 290 GLU C . 19272 1 564 . 1 1 128 128 GLU CA C 13 59.018 0.3 . 1 . . . . 290 GLU CA . 19272 1 565 . 1 1 128 128 GLU CB C 13 28.559 0.3 . 1 . . . . 290 GLU CB . 19272 1 566 . 1 1 128 128 GLU N N 15 124.149 0.3 . 1 . . . . 290 GLU N . 19272 1 567 . 1 1 129 129 ILE H H 1 7.968 0.020 . 1 . . . . 291 ILE H . 19272 1 568 . 1 1 129 129 ILE CA C 13 64.501 0.3 . 1 . . . . 291 ILE CA . 19272 1 569 . 1 1 129 129 ILE CB C 13 38.029 0.3 . 1 . . . . 291 ILE CB . 19272 1 570 . 1 1 129 129 ILE N N 15 118.893 0.3 . 1 . . . . 291 ILE N . 19272 1 571 . 1 1 130 130 ALA H H 1 7.682 0.020 . 1 . . . . 292 ALA H . 19272 1 572 . 1 1 130 130 ALA C C 13 176.175 0.3 . 1 . . . . 292 ALA C . 19272 1 573 . 1 1 130 130 ALA CA C 13 52.320 0.3 . 1 . . . . 292 ALA CA . 19272 1 574 . 1 1 130 130 ALA CB C 13 17.716 0.3 . 1 . . . . 292 ALA CB . 19272 1 575 . 1 1 130 130 ALA N N 15 118.247 0.3 . 1 . . . . 292 ALA N . 19272 1 576 . 1 1 131 131 ASN H H 1 7.136 0.020 . 1 . . . . 293 ASN H . 19272 1 577 . 1 1 131 131 ASN C C 13 176.016 0.3 . 1 . . . . 293 ASN C . 19272 1 578 . 1 1 131 131 ASN CA C 13 52.070 0.3 . 1 . . . . 293 ASN CA . 19272 1 579 . 1 1 131 131 ASN CB C 13 35.863 0.3 . 1 . . . . 293 ASN CB . 19272 1 580 . 1 1 131 131 ASN N N 15 117.766 0.3 . 1 . . . . 293 ASN N . 19272 1 581 . 1 1 132 132 GLN H H 1 9.161 0.020 . 1 . . . . 294 GLN H . 19272 1 582 . 1 1 132 132 GLN C C 13 176.710 0.3 . 1 . . . . 294 GLN C . 19272 1 583 . 1 1 132 132 GLN CA C 13 57.768 0.3 . 1 . . . . 294 GLN CA . 19272 1 584 . 1 1 132 132 GLN CB C 13 27.006 0.3 . 1 . . . . 294 GLN CB . 19272 1 585 . 1 1 132 132 GLN N N 15 130.301 0.3 . 1 . . . . 294 GLN N . 19272 1 586 . 1 1 133 133 ARG H H 1 7.956 0.020 . 1 . . . . 295 ARG H . 19272 1 587 . 1 1 133 133 ARG C C 13 176.710 0.3 . 1 . . . . 295 ARG C . 19272 1 588 . 1 1 133 133 ARG CA C 13 57.292 0.3 . 1 . . . . 295 ARG CA . 19272 1 589 . 1 1 133 133 ARG CB C 13 28.093 0.3 . 1 . . . . 295 ARG CB . 19272 1 590 . 1 1 133 133 ARG N N 15 118.778 0.3 . 1 . . . . 295 ARG N . 19272 1 591 . 1 1 134 134 PHE H H 1 7.502 0.020 . 1 . . . . 296 PHE H . 19272 1 592 . 1 1 134 134 PHE CA C 13 54.367 0.3 . 1 . . . . 296 PHE CA . 19272 1 593 . 1 1 134 134 PHE CB C 13 36.967 0.3 . 1 . . . . 296 PHE CB . 19272 1 594 . 1 1 134 134 PHE N N 15 116.464 0.3 . 1 . . . . 296 PHE N . 19272 1 595 . 1 1 135 135 GLY H H 1 7.428 0.020 . 1 . . . . 297 GLY H . 19272 1 596 . 1 1 135 135 GLY C C 13 173.862 0.3 . 1 . . . . 297 GLY C . 19272 1 597 . 1 1 135 135 GLY CA C 13 48.170 0.3 . 1 . . . . 297 GLY CA . 19272 1 598 . 1 1 135 135 GLY N N 15 108.363 0.3 . 1 . . . . 297 GLY N . 19272 1 599 . 1 1 136 136 MET H H 1 9.412 0.020 . 1 . . . . 298 MET H . 19272 1 600 . 1 1 136 136 MET C C 13 169.476 0.3 . 1 . . . . 298 MET C . 19272 1 601 . 1 1 136 136 MET CA C 13 52.646 0.3 . 1 . . . . 298 MET CA . 19272 1 602 . 1 1 136 136 MET CB C 13 31.853 0.3 . 1 . . . . 298 MET CB . 19272 1 603 . 1 1 136 136 MET N N 15 126.340 0.3 . 1 . . . . 298 MET N . 19272 1 604 . 1 1 137 137 PRO C C 13 177.774 0.3 . 1 . . . . 299 PRO C . 19272 1 605 . 1 1 137 137 PRO CA C 13 61.587 0.3 . 1 . . . . 299 PRO CA . 19272 1 606 . 1 1 137 137 PRO CB C 13 31.452 0.3 . 1 . . . . 299 PRO CB . 19272 1 607 . 1 1 138 138 ASP H H 1 9.242 0.020 . 1 . . . . 300 ASP H . 19272 1 608 . 1 1 138 138 ASP C C 13 175.482 0.3 . 1 . . . . 300 ASP C . 19272 1 609 . 1 1 138 138 ASP CA C 13 52.468 0.3 . 1 . . . . 300 ASP CA . 19272 1 610 . 1 1 138 138 ASP CB C 13 36.967 0.3 . 1 . . . . 300 ASP CB . 19272 1 611 . 1 1 138 138 ASP N N 15 130.589 0.3 . 1 . . . . 300 ASP N . 19272 1 612 . 1 1 139 139 TYR H H 1 7.695 0.020 . 1 . . . . 301 TYR H . 19272 1 613 . 1 1 139 139 TYR C C 13 173.373 0.3 . 1 . . . . 301 TYR C . 19272 1 614 . 1 1 139 139 TYR CA C 13 57.566 0.3 . 1 . . . . 301 TYR CA . 19272 1 615 . 1 1 139 139 TYR CB C 13 38.095 0.3 . 1 . . . . 301 TYR CB . 19272 1 616 . 1 1 139 139 TYR N N 15 117.735 0.3 . 1 . . . . 301 TYR N . 19272 1 617 . 1 1 140 140 PHE H H 1 6.830 0.020 . 1 . . . . 302 PHE H . 19272 1 618 . 1 1 140 140 PHE C C 13 172.613 0.3 . 1 . . . . 302 PHE C . 19272 1 619 . 1 1 140 140 PHE CA C 13 53.861 0.3 . 1 . . . . 302 PHE CA . 19272 1 620 . 1 1 140 140 PHE CB C 13 38.086 0.3 . 1 . . . . 302 PHE CB . 19272 1 621 . 1 1 140 140 PHE N N 15 115.022 0.3 . 1 . . . . 302 PHE N . 19272 1 622 . 1 1 141 141 ARG H H 1 6.340 0.020 . 1 . . . . 303 ARG H . 19272 1 623 . 1 1 141 141 ARG C C 13 172.787 0.3 . 1 . . . . 303 ARG C . 19272 1 624 . 1 1 141 141 ARG CA C 13 55.593 0.3 . 1 . . . . 303 ARG CA . 19272 1 625 . 1 1 141 141 ARG CB C 13 29.447 0.3 . 1 . . . . 303 ARG CB . 19272 1 626 . 1 1 141 141 ARG N N 15 119.169 0.3 . 1 . . . . 303 ARG N . 19272 1 627 . 1 1 142 142 GLN H H 1 6.627 0.020 . 1 . . . . 304 GLN H . 19272 1 628 . 1 1 142 142 GLN C C 13 173.080 0.3 . 1 . . . . 304 GLN C . 19272 1 629 . 1 1 142 142 GLN CA C 13 52.524 0.3 . 1 . . . . 304 GLN CA . 19272 1 630 . 1 1 142 142 GLN CB C 13 30.349 0.3 . 1 . . . . 304 GLN CB . 19272 1 631 . 1 1 142 142 GLN N N 15 114.665 0.3 . 1 . . . . 304 GLN N . 19272 1 632 . 1 1 143 143 SER H H 1 8.559 0.020 . 1 . . . . 305 SER H . 19272 1 633 . 1 1 143 143 SER C C 13 172.294 0.3 . 1 . . . . 305 SER C . 19272 1 634 . 1 1 143 143 SER CA C 13 57.585 0.3 . 1 . . . . 305 SER CA . 19272 1 635 . 1 1 143 143 SER CB C 13 63.287 0.3 . 1 . . . . 305 SER CB . 19272 1 636 . 1 1 143 143 SER N N 15 119.155 0.3 . 1 . . . . 305 SER N . 19272 1 637 . 1 1 144 144 GLY H H 1 8.355 0.020 . 1 . . . . 306 GLY H . 19272 1 638 . 1 1 144 144 GLY CA C 13 45.384 0.3 . 1 . . . . 306 GLY CA . 19272 1 639 . 1 1 144 144 GLY N N 15 109.505 0.3 . 1 . . . . 306 GLY N . 19272 1 640 . 1 1 145 145 THR H H 1 7.620 0.020 . 1 . . . . 307 THR H . 19272 1 641 . 1 1 145 145 THR CA C 13 60.885 0.3 . 1 . . . . 307 THR CA . 19272 1 642 . 1 1 145 145 THR CB C 13 70.034 0.3 . 1 . . . . 307 THR CB . 19272 1 643 . 1 1 145 145 THR N N 15 116.104 0.3 . 1 . . . . 307 THR N . 19272 1 644 . 1 1 146 146 TYR H H 1 9.147 0.020 . 1 . . . . 308 TYR H . 19272 1 645 . 1 1 146 146 TYR CA C 13 54.918 0.3 . 1 . . . . 308 TYR CA . 19272 1 646 . 1 1 146 146 TYR CB C 13 37.197 0.3 . 1 . . . . 308 TYR CB . 19272 1 647 . 1 1 146 146 TYR N N 15 128.536 0.3 . 1 . . . . 308 TYR N . 19272 1 648 . 1 1 147 147 GLY H H 1 8.544 0.020 . 1 . . . . 309 GLY H . 19272 1 649 . 1 1 147 147 GLY C C 13 173.995 0.3 . 1 . . . . 309 GLY C . 19272 1 650 . 1 1 147 147 GLY CA C 13 46.661 0.3 . 1 . . . . 309 GLY CA . 19272 1 651 . 1 1 147 147 GLY N N 15 113.894 0.3 . 1 . . . . 309 GLY N . 19272 1 652 . 1 1 148 148 SER H H 1 8.642 0.020 . 1 . . . . 310 SER H . 19272 1 653 . 1 1 148 148 SER CA C 13 58.665 0.3 . 1 . . . . 310 SER CA . 19272 1 654 . 1 1 148 148 SER CB C 13 62.610 0.3 . 1 . . . . 310 SER CB . 19272 1 655 . 1 1 148 148 SER N N 15 124.429 0.3 . 1 . . . . 310 SER N . 19272 1 656 . 1 1 149 149 ILE H H 1 8.072 0.020 . 1 . . . . 311 ILE H . 19272 1 657 . 1 1 149 149 ILE CA C 13 60.014 0.3 . 1 . . . . 311 ILE CA . 19272 1 658 . 1 1 149 149 ILE CB C 13 37.857 0.3 . 1 . . . . 311 ILE CB . 19272 1 659 . 1 1 149 149 ILE N N 15 126.224 0.3 . 1 . . . . 311 ILE N . 19272 1 660 . 1 1 150 150 THR H H 1 8.952 0.020 . 1 . . . . 312 THR H . 19272 1 661 . 1 1 150 150 THR C C 13 171.540 0.3 . 1 . . . . 312 THR C . 19272 1 662 . 1 1 150 150 THR CA C 13 61.142 0.3 . 1 . . . . 312 THR CA . 19272 1 663 . 1 1 150 150 THR CB C 13 69.844 0.3 . 1 . . . . 312 THR CB . 19272 1 664 . 1 1 150 150 THR N N 15 123.602 0.3 . 1 . . . . 312 THR N . 19272 1 665 . 1 1 151 151 VAL H H 1 8.891 0.020 . 1 . . . . 313 VAL H . 19272 1 666 . 1 1 151 151 VAL C C 13 174.368 0.3 . 1 . . . . 313 VAL C . 19272 1 667 . 1 1 151 151 VAL CA C 13 59.729 0.3 . 1 . . . . 313 VAL CA . 19272 1 668 . 1 1 151 151 VAL CB C 13 34.339 0.3 . 1 . . . . 313 VAL CB . 19272 1 669 . 1 1 151 151 VAL N N 15 125.749 0.3 . 1 . . . . 313 VAL N . 19272 1 670 . 1 1 152 152 GLU H H 1 8.505 0.020 . 1 . . . . 314 GLU H . 19272 1 671 . 1 1 152 152 GLU C C 13 173.092 0.3 . 1 . . . . 314 GLU C . 19272 1 672 . 1 1 152 152 GLU CA C 13 53.567 0.3 . 1 . . . . 314 GLU CA . 19272 1 673 . 1 1 152 152 GLU CB C 13 32.218 0.3 . 1 . . . . 314 GLU CB . 19272 1 674 . 1 1 152 152 GLU N N 15 126.083 0.3 . 1 . . . . 314 GLU N . 19272 1 675 . 1 1 153 153 SER H H 1 8.143 0.020 . 1 . . . . 315 SER H . 19272 1 676 . 1 1 153 153 SER CA C 13 55.548 0.3 . 1 . . . . 315 SER CA . 19272 1 677 . 1 1 153 153 SER CB C 13 63.437 0.3 . 1 . . . . 315 SER CB . 19272 1 678 . 1 1 153 153 SER N N 15 116.977 0.3 . 1 . . . . 315 SER N . 19272 1 679 . 1 1 154 154 LYS H H 1 8.014 0.020 . 1 . . . . 316 LYS H . 19272 1 680 . 1 1 154 154 LYS C C 13 172.988 0.3 . 1 . . . . 316 LYS C . 19272 1 681 . 1 1 154 154 LYS CA C 13 54.463 0.3 . 1 . . . . 316 LYS CA . 19272 1 682 . 1 1 154 154 LYS CB C 13 34.720 0.3 . 1 . . . . 316 LYS CB . 19272 1 683 . 1 1 154 154 LYS N N 15 127.395 0.3 . 1 . . . . 316 LYS N . 19272 1 684 . 1 1 155 155 MET H H 1 8.976 0.020 . 1 . . . . 317 MET H . 19272 1 685 . 1 1 155 155 MET CA C 13 55.739 0.3 . 1 . . . . 317 MET CA . 19272 1 686 . 1 1 155 155 MET CB C 13 31.717 0.3 . 1 . . . . 317 MET CB . 19272 1 687 . 1 1 155 155 MET N N 15 128.448 0.3 . 1 . . . . 317 MET N . 19272 1 688 . 1 1 156 156 THR H H 1 9.084 0.020 . 1 . . . . 318 THR H . 19272 1 689 . 1 1 156 156 THR C C 13 173.331 0.3 . 1 . . . . 318 THR C . 19272 1 690 . 1 1 156 156 THR CA C 13 61.714 0.3 . 1 . . . . 318 THR CA . 19272 1 691 . 1 1 156 156 THR CB C 13 68.319 0.3 . 1 . . . . 318 THR CB . 19272 1 692 . 1 1 156 156 THR N N 15 119.554 0.3 . 1 . . . . 318 THR N . 19272 1 693 . 1 1 157 157 GLN H H 1 7.363 0.020 . 1 . . . . 319 GLN H . 19272 1 694 . 1 1 157 157 GLN C C 13 171.018 0.3 . 1 . . . . 319 GLN C . 19272 1 695 . 1 1 157 157 GLN CA C 13 55.076 0.3 . 1 . . . . 319 GLN CA . 19272 1 696 . 1 1 157 157 GLN CB C 13 30.274 0.3 . 1 . . . . 319 GLN CB . 19272 1 697 . 1 1 157 157 GLN N N 15 119.941 0.3 . 1 . . . . 319 GLN N . 19272 1 698 . 1 1 158 158 GLN H H 1 8.362 0.020 . 1 . . . . 320 GLN H . 19272 1 699 . 1 1 158 158 GLN C C 13 173.809 0.3 . 1 . . . . 320 GLN C . 19272 1 700 . 1 1 158 158 GLN CA C 13 54.720 0.3 . 1 . . . . 320 GLN CA . 19272 1 701 . 1 1 158 158 GLN CB C 13 31.835 0.3 . 1 . . . . 320 GLN CB . 19272 1 702 . 1 1 158 158 GLN N N 15 121.101 0.3 . 1 . . . . 320 GLN N . 19272 1 703 . 1 1 159 159 VAL H H 1 9.388 0.020 . 1 . . . . 321 VAL H . 19272 1 704 . 1 1 159 159 VAL CA C 13 60.352 0.3 . 1 . . . . 321 VAL CA . 19272 1 705 . 1 1 159 159 VAL CB C 13 34.335 0.3 . 1 . . . . 321 VAL CB . 19272 1 706 . 1 1 159 159 VAL N N 15 125.646 0.3 . 1 . . . . 321 VAL N . 19272 1 707 . 1 1 160 160 GLY H H 1 8.774 0.020 . 1 . . . . 322 GLY H . 19272 1 708 . 1 1 160 160 GLY C C 13 172.799 0.3 . 1 . . . . 322 GLY C . 19272 1 709 . 1 1 160 160 GLY CA C 13 45.581 0.3 . 1 . . . . 322 GLY CA . 19272 1 710 . 1 1 160 160 GLY N N 15 115.572 0.3 . 1 . . . . 322 GLY N . 19272 1 711 . 1 1 162 162 GLY H H 1 7.727 0.020 . 1 . . . . 324 GLY H . 19272 1 712 . 1 1 162 162 GLY CA C 13 42.953 0.3 . 1 . . . . 324 GLY CA . 19272 1 713 . 1 1 162 162 GLY N N 15 108.937 0.3 . 1 . . . . 324 GLY N . 19272 1 714 . 1 1 163 163 ASP H H 1 8.443 0.020 . 1 . . . . 325 ASP H . 19272 1 715 . 1 1 163 163 ASP C C 13 173.916 0.3 . 1 . . . . 325 ASP C . 19272 1 716 . 1 1 163 163 ASP CA C 13 54.839 0.3 . 1 . . . . 325 ASP CA . 19272 1 717 . 1 1 163 163 ASP CB C 13 38.213 0.3 . 1 . . . . 325 ASP CB . 19272 1 718 . 1 1 163 163 ASP N N 15 117.617 0.3 . 1 . . . . 325 ASP N . 19272 1 719 . 1 1 164 164 GLY H H 1 7.996 0.020 . 1 . . . . 326 GLY H . 19272 1 720 . 1 1 164 164 GLY C C 13 172.826 0.3 . 1 . . . . 326 GLY C . 19272 1 721 . 1 1 164 164 GLY CA C 13 44.687 0.3 . 1 . . . . 326 GLY CA . 19272 1 722 . 1 1 164 164 GLY N N 15 105.549 0.3 . 1 . . . . 326 GLY N . 19272 1 723 . 1 1 165 165 ILE H H 1 8.198 0.020 . 1 . . . . 327 ILE H . 19272 1 724 . 1 1 165 165 ILE C C 13 173.995 0.3 . 1 . . . . 327 ILE C . 19272 1 725 . 1 1 165 165 ILE CA C 13 59.475 0.3 . 1 . . . . 327 ILE CA . 19272 1 726 . 1 1 165 165 ILE CB C 13 33.259 0.3 . 1 . . . . 327 ILE CB . 19272 1 727 . 1 1 165 165 ILE N N 15 125.443 0.3 . 1 . . . . 327 ILE N . 19272 1 728 . 1 1 166 166 MET H H 1 9.261 0.020 . 1 . . . . 328 MET H . 19272 1 729 . 1 1 166 166 MET C C 13 173.263 0.3 . 1 . . . . 328 MET C . 19272 1 730 . 1 1 166 166 MET CA C 13 52.758 0.3 . 1 . . . . 328 MET CA . 19272 1 731 . 1 1 166 166 MET CB C 13 33.450 0.3 . 1 . . . . 328 MET CB . 19272 1 732 . 1 1 166 166 MET N N 15 129.635 0.3 . 1 . . . . 328 MET N . 19272 1 733 . 1 1 167 167 ALA H H 1 9.154 0.020 . 1 . . . . 329 ALA H . 19272 1 734 . 1 1 167 167 ALA C C 13 173.331 0.3 . 1 . . . . 329 ALA C . 19272 1 735 . 1 1 167 167 ALA CA C 13 49.265 0.3 . 1 . . . . 329 ALA CA . 19272 1 736 . 1 1 167 167 ALA CB C 13 19.159 0.3 . 1 . . . . 329 ALA CB . 19272 1 737 . 1 1 167 167 ALA N N 15 125.921 0.3 . 1 . . . . 329 ALA N . 19272 1 738 . 1 1 168 168 ASP H H 1 9.325 0.020 . 1 . . . . 330 ASP H . 19272 1 739 . 1 1 168 168 ASP CA C 13 53.393 0.3 . 1 . . . . 330 ASP CA . 19272 1 740 . 1 1 168 168 ASP CB C 13 41.930 0.3 . 1 . . . . 330 ASP CB . 19272 1 741 . 1 1 168 168 ASP N N 15 126.739 0.3 . 1 . . . . 330 ASP N . 19272 1 742 . 1 1 169 169 MET H H 1 8.622 0.020 . 1 . . . . 331 MET H . 19272 1 743 . 1 1 169 169 MET CA C 13 53.091 0.3 . 1 . . . . 331 MET CA . 19272 1 744 . 1 1 169 169 MET CB C 13 31.735 0.3 . 1 . . . . 331 MET CB . 19272 1 745 . 1 1 169 169 MET N N 15 122.389 0.3 . 1 . . . . 331 MET N . 19272 1 746 . 1 1 170 170 TYR H H 1 8.845 0.020 . 1 . . . . 332 TYR H . 19272 1 747 . 1 1 170 170 TYR C C 13 175.218 0.3 . 1 . . . . 332 TYR C . 19272 1 748 . 1 1 170 170 TYR CA C 13 55.388 0.3 . 1 . . . . 332 TYR CA . 19272 1 749 . 1 1 170 170 TYR CB C 13 41.028 0.3 . 1 . . . . 332 TYR CB . 19272 1 750 . 1 1 170 170 TYR N N 15 119.273 0.3 . 1 . . . . 332 TYR N . 19272 1 751 . 1 1 171 171 THR H H 1 9.214 0.020 . 1 . . . . 333 THR H . 19272 1 752 . 1 1 171 171 THR C C 13 172.028 0.3 . 1 . . . . 333 THR C . 19272 1 753 . 1 1 171 171 THR CA C 13 61.791 0.3 . 1 . . . . 333 THR CA . 19272 1 754 . 1 1 171 171 THR CB C 13 69.228 0.3 . 1 . . . . 333 THR CB . 19272 1 755 . 1 1 171 171 THR N N 15 118.404 0.3 . 1 . . . . 333 THR N . 19272 1 756 . 1 1 172 172 LEU H H 1 9.034 0.020 . 1 . . . . 334 LEU H . 19272 1 757 . 1 1 172 172 LEU C C 13 174.125 0.3 . 1 . . . . 334 LEU C . 19272 1 758 . 1 1 172 172 LEU CA C 13 52.675 0.3 . 1 . . . . 334 LEU CA . 19272 1 759 . 1 1 172 172 LEU CB C 13 43.676 0.3 . 1 . . . . 334 LEU CB . 19272 1 760 . 1 1 172 172 LEU N N 15 132.660 0.3 . 1 . . . . 334 LEU N . 19272 1 761 . 1 1 173 173 THR H H 1 9.370 0.020 . 1 . . . . 335 THR H . 19272 1 762 . 1 1 173 173 THR C C 13 171.762 0.3 . 1 . . . . 335 THR C . 19272 1 763 . 1 1 173 173 THR CA C 13 62.285 0.3 . 1 . . . . 335 THR CA . 19272 1 764 . 1 1 173 173 THR CB C 13 68.446 0.3 . 1 . . . . 335 THR CB . 19272 1 765 . 1 1 173 173 THR N N 15 124.321 0.3 . 1 . . . . 335 THR N . 19272 1 766 . 1 1 174 174 ILE H H 1 9.209 0.020 . 1 . . . . 336 ILE H . 19272 1 767 . 1 1 174 174 ILE C C 13 173.357 0.3 . 1 . . . . 336 ILE C . 19272 1 768 . 1 1 174 174 ILE CA C 13 60.952 0.3 . 1 . . . . 336 ILE CA . 19272 1 769 . 1 1 174 174 ILE CB C 13 38.722 0.3 . 1 . . . . 336 ILE CB . 19272 1 770 . 1 1 174 174 ILE N N 15 128.288 0.3 . 1 . . . . 336 ILE N . 19272 1 771 . 1 1 175 175 ARG H H 1 9.098 0.020 . 1 . . . . 337 ARG H . 19272 1 772 . 1 1 175 175 ARG CA C 13 54.371 0.3 . 1 . . . . 337 ARG CA . 19272 1 773 . 1 1 175 175 ARG CB C 13 31.477 0.3 . 1 . . . . 337 ARG CB . 19272 1 774 . 1 1 175 175 ARG N N 15 129.583 0.3 . 1 . . . . 337 ARG N . 19272 1 775 . 1 1 176 176 GLU H H 1 8.333 0.020 . 1 . . . . 338 GLU H . 19272 1 776 . 1 1 176 176 GLU C C 13 173.171 0.3 . 1 . . . . 338 GLU C . 19272 1 777 . 1 1 176 176 GLU CA C 13 55.081 0.3 . 1 . . . . 338 GLU CA . 19272 1 778 . 1 1 176 176 GLU CB C 13 31.036 0.3 . 1 . . . . 338 GLU CB . 19272 1 779 . 1 1 176 176 GLU N N 15 124.869 0.3 . 1 . . . . 338 GLU N . 19272 1 780 . 1 1 177 177 ALA H H 1 8.599 0.020 . 1 . . . . 339 ALA H . 19272 1 781 . 1 1 177 177 ALA C C 13 177.292 0.3 . 1 . . . . 339 ALA C . 19272 1 782 . 1 1 177 177 ALA CA C 13 53.630 0.3 . 1 . . . . 339 ALA CA . 19272 1 783 . 1 1 177 177 ALA CB C 13 16.809 0.3 . 1 . . . . 339 ALA CB . 19272 1 784 . 1 1 177 177 ALA N N 15 130.481 0.3 . 1 . . . . 339 ALA N . 19272 1 785 . 1 1 178 178 GLY H H 1 8.700 0.020 . 1 . . . . 340 GLY H . 19272 1 786 . 1 1 178 178 GLY C C 13 172.268 0.3 . 1 . . . . 340 GLY C . 19272 1 787 . 1 1 178 178 GLY CA C 13 44.850 0.3 . 1 . . . . 340 GLY CA . 19272 1 788 . 1 1 178 178 GLY N N 15 111.967 0.3 . 1 . . . . 340 GLY N . 19272 1 789 . 1 1 179 179 GLN H H 1 8.205 0.020 . 1 . . . . 341 GLN H . 19272 1 790 . 1 1 179 179 GLN CA C 13 52.070 0.3 . 1 . . . . 341 GLN CA . 19272 1 791 . 1 1 179 179 GLN CB C 13 29.441 0.3 . 1 . . . . 341 GLN CB . 19272 1 792 . 1 1 179 179 GLN N N 15 118.925 0.3 . 1 . . . . 341 GLN N . 19272 1 793 . 1 1 180 180 LYS H H 1 8.516 0.020 . 1 . . . . 342 LYS H . 19272 1 794 . 1 1 180 180 LYS C C 13 175.803 0.3 . 1 . . . . 342 LYS C . 19272 1 795 . 1 1 180 180 LYS CA C 13 56.070 0.3 . 1 . . . . 342 LYS CA . 19272 1 796 . 1 1 180 180 LYS CB C 13 31.261 0.3 . 1 . . . . 342 LYS CB . 19272 1 797 . 1 1 180 180 LYS N N 15 124.234 0.3 . 1 . . . . 342 LYS N . 19272 1 798 . 1 1 181 181 THR H H 1 8.696 0.020 . 1 . . . . 343 THR H . 19272 1 799 . 1 1 181 181 THR C C 13 172.188 0.3 . 1 . . . . 343 THR C . 19272 1 800 . 1 1 181 181 THR CA C 13 63.238 0.3 . 1 . . . . 343 THR CA . 19272 1 801 . 1 1 181 181 THR CB C 13 67.938 0.3 . 1 . . . . 343 THR CB . 19272 1 802 . 1 1 181 181 THR N N 15 124.480 0.3 . 1 . . . . 343 THR N . 19272 1 803 . 1 1 182 182 ILE H H 1 8.086 0.020 . 1 . . . . 344 ILE H . 19272 1 804 . 1 1 182 182 ILE CA C 13 57.329 0.3 . 1 . . . . 344 ILE CA . 19272 1 805 . 1 1 182 182 ILE CB C 13 38.849 0.3 . 1 . . . . 344 ILE CB . 19272 1 806 . 1 1 182 182 ILE N N 15 128.929 0.3 . 1 . . . . 344 ILE N . 19272 1 807 . 1 1 183 183 SER H H 1 8.778 0.020 . 1 . . . . 345 SER H . 19272 1 808 . 1 1 183 183 SER CA C 13 55.707 0.3 . 1 . . . . 345 SER CA . 19272 1 809 . 1 1 183 183 SER CB C 13 63.964 0.3 . 1 . . . . 345 SER CB . 19272 1 810 . 1 1 183 183 SER N N 15 122.467 0.3 . 1 . . . . 345 SER N . 19272 1 811 . 1 1 184 184 VAL H H 1 9.735 0.020 . 1 . . . . 346 VAL H . 19272 1 812 . 1 1 184 184 VAL C C 13 171.789 0.3 . 1 . . . . 346 VAL C . 19272 1 813 . 1 1 184 184 VAL CA C 13 58.662 0.3 . 1 . . . . 346 VAL CA . 19272 1 814 . 1 1 184 184 VAL CB C 13 35.228 0.3 . 1 . . . . 346 VAL CB . 19272 1 815 . 1 1 184 184 VAL N N 15 129.203 0.3 . 1 . . . . 346 VAL N . 19272 1 816 . 1 1 185 185 PRO C C 13 173.969 0.3 . 1 . . . . 347 PRO C . 19272 1 817 . 1 1 185 185 PRO CA C 13 61.610 0.3 . 1 . . . . 347 PRO CA . 19272 1 818 . 1 1 185 185 PRO CB C 13 31.477 0.3 . 1 . . . . 347 PRO CB . 19272 1 819 . 1 1 186 186 VAL H H 1 9.348 0.020 . 1 . . . . 348 VAL H . 19272 1 820 . 1 1 186 186 VAL C C 13 174.602 0.3 . 1 . . . . 348 VAL C . 19272 1 821 . 1 1 186 186 VAL CA C 13 59.315 0.3 . 1 . . . . 348 VAL CA . 19272 1 822 . 1 1 186 186 VAL CB C 13 33.958 0.3 . 1 . . . . 348 VAL CB . 19272 1 823 . 1 1 186 186 VAL N N 15 125.461 0.3 . 1 . . . . 348 VAL N . 19272 1 824 . 1 1 187 187 VAL H H 1 9.232 0.020 . 1 . . . . 349 VAL H . 19272 1 825 . 1 1 187 187 VAL C C 13 171.949 0.3 . 1 . . . . 349 VAL C . 19272 1 826 . 1 1 187 187 VAL CA C 13 60.480 0.3 . 1 . . . . 349 VAL CA . 19272 1 827 . 1 1 187 187 VAL CB C 13 32.605 0.3 . 1 . . . . 349 VAL CB . 19272 1 828 . 1 1 187 187 VAL N N 15 127.643 0.3 . 1 . . . . 349 VAL N . 19272 1 829 . 1 1 188 188 HIS H H 1 9.672 0.020 . 1 . . . . 350 HIS H . 19272 1 830 . 1 1 188 188 HIS C C 13 174.481 0.3 . 1 . . . . 350 HIS C . 19272 1 831 . 1 1 188 188 HIS CA C 13 51.786 0.3 . 1 . . . . 350 HIS CA . 19272 1 832 . 1 1 188 188 HIS CB C 13 32.981 0.3 . 1 . . . . 350 HIS CB . 19272 1 833 . 1 1 188 188 HIS N N 15 127.897 0.3 . 1 . . . . 350 HIS N . 19272 1 834 . 1 1 189 189 VAL H H 1 8.061 0.020 . 1 . . . . 351 VAL H . 19272 1 835 . 1 1 189 189 VAL C C 13 172.879 0.3 . 1 . . . . 351 VAL C . 19272 1 836 . 1 1 189 189 VAL CA C 13 60.716 0.3 . 1 . . . . 351 VAL CA . 19272 1 837 . 1 1 189 189 VAL CB C 13 28.178 0.3 . 1 . . . . 351 VAL CB . 19272 1 838 . 1 1 189 189 VAL N N 15 129.950 0.3 . 1 . . . . 351 VAL N . 19272 1 839 . 1 1 190 190 GLY H H 1 7.431 0.020 . 1 . . . . 352 GLY H . 19272 1 840 . 1 1 190 190 GLY C C 13 173.300 0.3 . 1 . . . . 352 GLY C . 19272 1 841 . 1 1 190 190 GLY CA C 13 45.998 0.3 . 1 . . . . 352 GLY CA . 19272 1 842 . 1 1 190 190 GLY N N 15 113.115 0.3 . 1 . . . . 352 GLY N . 19272 1 843 . 1 1 191 191 ASN H H 1 7.792 0.020 . 1 . . . . 353 ASN H . 19272 1 844 . 1 1 191 191 ASN C C 13 172.028 0.3 . 1 . . . . 353 ASN C . 19272 1 845 . 1 1 191 191 ASN CA C 13 50.749 0.3 . 1 . . . . 353 ASN CA . 19272 1 846 . 1 1 191 191 ASN CB C 13 35.528 0.3 . 1 . . . . 353 ASN CB . 19272 1 847 . 1 1 191 191 ASN N N 15 117.871 0.3 . 1 . . . . 353 ASN N . 19272 1 848 . 1 1 196 196 THR H H 1 7.338 0.020 . 1 . . . . 358 THR H . 19272 1 849 . 1 1 196 196 THR C C 13 171.428 0.3 . 1 . . . . 358 THR C . 19272 1 850 . 1 1 196 196 THR CA C 13 60.316 0.3 . 1 . . . . 358 THR CA . 19272 1 851 . 1 1 196 196 THR N N 15 113.159 0.3 . 1 . . . . 358 THR N . 19272 1 852 . 1 1 197 197 ALA H H 1 8.402 0.020 . 1 . . . . 359 ALA H . 19272 1 853 . 1 1 197 197 ALA C C 13 176.547 0.3 . 1 . . . . 359 ALA C . 19272 1 854 . 1 1 197 197 ALA CA C 13 51.282 0.3 . 1 . . . . 359 ALA CA . 19272 1 855 . 1 1 197 197 ALA CB C 13 18.693 0.3 . 1 . . . . 359 ALA CB . 19272 1 856 . 1 1 197 197 ALA N N 15 126.475 0.3 . 1 . . . . 359 ALA N . 19272 1 857 . 1 1 198 198 VAL H H 1 7.362 0.020 . 1 . . . . 360 VAL H . 19272 1 858 . 1 1 198 198 VAL C C 13 174.345 0.3 . 1 . . . . 360 VAL C . 19272 1 859 . 1 1 198 198 VAL CA C 13 60.908 0.3 . 1 . . . . 360 VAL CA . 19272 1 860 . 1 1 198 198 VAL N N 15 120.314 0.3 . 1 . . . . 360 VAL N . 19272 1 861 . 1 1 199 199 SER H H 1 8.620 0.020 . 1 . . . . 361 SER H . 19272 1 862 . 1 1 199 199 SER CA C 13 57.212 0.3 . 1 . . . . 361 SER CA . 19272 1 863 . 1 1 199 199 SER CB C 13 64.953 0.3 . 1 . . . . 361 SER CB . 19272 1 864 . 1 1 199 199 SER N N 15 119.783 0.3 . 1 . . . . 361 SER N . 19272 1 865 . 1 1 202 202 VAL H H 1 7.653 0.020 . 1 . . . . 364 VAL H . 19272 1 866 . 1 1 202 202 VAL C C 13 176.175 0.3 . 1 . . . . 364 VAL C . 19272 1 867 . 1 1 202 202 VAL CA C 13 65.124 0.3 . 1 . . . . 364 VAL CA . 19272 1 868 . 1 1 202 202 VAL CB C 13 29.823 0.3 . 1 . . . . 364 VAL CB . 19272 1 869 . 1 1 202 202 VAL N N 15 123.781 0.3 . 1 . . . . 364 VAL N . 19272 1 870 . 1 1 203 203 THR H H 1 7.946 0.020 . 1 . . . . 365 THR H . 19272 1 871 . 1 1 203 203 THR CA C 13 67.289 0.3 . 1 . . . . 365 THR CA . 19272 1 872 . 1 1 203 203 THR CB C 13 66.220 0.3 . 1 . . . . 365 THR CB . 19272 1 873 . 1 1 203 203 THR N N 15 116.730 0.3 . 1 . . . . 365 THR N . 19272 1 874 . 1 1 204 204 LYS H H 1 8.203 0.020 . 1 . . . . 366 LYS H . 19272 1 875 . 1 1 204 204 LYS C C 13 177.022 0.3 . 1 . . . . 366 LYS C . 19272 1 876 . 1 1 204 204 LYS CA C 13 59.504 0.3 . 1 . . . . 366 LYS CA . 19272 1 877 . 1 1 204 204 LYS CB C 13 31.176 0.3 . 1 . . . . 366 LYS CB . 19272 1 878 . 1 1 204 204 LYS N N 15 123.007 0.3 . 1 . . . . 366 LYS N . 19272 1 879 . 1 1 205 205 ALA H H 1 7.762 0.020 . 1 . . . . 367 ALA H . 19272 1 880 . 1 1 205 205 ALA C C 13 179.525 0.3 . 1 . . . . 367 ALA C . 19272 1 881 . 1 1 205 205 ALA CA C 13 54.399 0.3 . 1 . . . . 367 ALA CA . 19272 1 882 . 1 1 205 205 ALA CB C 13 17.114 0.3 . 1 . . . . 367 ALA CB . 19272 1 883 . 1 1 205 205 ALA N N 15 123.955 0.3 . 1 . . . . 367 ALA N . 19272 1 884 . 1 1 207 207 ALA H H 1 8.568 0.020 . 1 . . . . 369 ALA H . 19272 1 885 . 1 1 207 207 ALA C C 13 177.664 0.3 . 1 . . . . 369 ALA C . 19272 1 886 . 1 1 207 207 ALA CA C 13 54.974 0.3 . 1 . . . . 369 ALA CA . 19272 1 887 . 1 1 207 207 ALA CB C 13 16.809 0.3 . 1 . . . . 369 ALA CB . 19272 1 888 . 1 1 207 207 ALA N N 15 122.644 0.3 . 1 . . . . 369 ALA N . 19272 1 889 . 1 1 208 208 SER H H 1 8.135 0.020 . 1 . . . . 370 SER H . 19272 1 890 . 1 1 208 208 SER CA C 13 61.569 0.3 . 1 . . . . 370 SER CA . 19272 1 891 . 1 1 208 208 SER CB C 13 62.309 0.3 . 1 . . . . 370 SER CB . 19272 1 892 . 1 1 208 208 SER N N 15 114.287 0.3 . 1 . . . . 370 SER N . 19272 1 893 . 1 1 209 209 LEU H H 1 7.874 0.020 . 1 . . . . 371 LEU H . 19272 1 894 . 1 1 209 209 LEU C C 13 179.076 0.3 . 1 . . . . 371 LEU C . 19272 1 895 . 1 1 209 209 LEU CA C 13 57.462 0.3 . 1 . . . . 371 LEU CA . 19272 1 896 . 1 1 209 209 LEU CB C 13 40.426 0.3 . 1 . . . . 371 LEU CB . 19272 1 897 . 1 1 209 209 LEU N N 15 124.424 0.3 . 1 . . . . 371 LEU N . 19272 1 898 . 1 1 210 210 VAL H H 1 8.830 0.020 . 1 . . . . 372 VAL H . 19272 1 899 . 1 1 210 210 VAL C C 13 175.574 0.3 . 1 . . . . 372 VAL C . 19272 1 900 . 1 1 210 210 VAL CA C 13 67.430 0.3 . 1 . . . . 372 VAL CA . 19272 1 901 . 1 1 210 210 VAL CB C 13 30.349 0.3 . 1 . . . . 372 VAL CB . 19272 1 902 . 1 1 210 210 VAL N N 15 124.641 0.3 . 1 . . . . 372 VAL N . 19272 1 903 . 1 1 211 211 ASP H H 1 8.314 0.020 . 1 . . . . 373 ASP H . 19272 1 904 . 1 1 211 211 ASP C C 13 177.637 0.3 . 1 . . . . 373 ASP C . 19272 1 905 . 1 1 211 211 ASP CA C 13 57.299 0.3 . 1 . . . . 373 ASP CA . 19272 1 906 . 1 1 211 211 ASP CB C 13 40.119 0.3 . 1 . . . . 373 ASP CB . 19272 1 907 . 1 1 211 211 ASP N N 15 120.856 0.3 . 1 . . . . 373 ASP N . 19272 1 908 . 1 1 212 212 GLN H H 1 8.598 0.020 . 1 . . . . 374 GLN H . 19272 1 909 . 1 1 212 212 GLN CA C 13 58.396 0.3 . 1 . . . . 374 GLN CA . 19272 1 910 . 1 1 212 212 GLN CB C 13 27.588 0.3 . 1 . . . . 374 GLN CB . 19272 1 911 . 1 1 212 212 GLN N N 15 120.439 0.3 . 1 . . . . 374 GLN N . 19272 1 912 . 1 1 213 213 THR H H 1 8.168 0.020 . 1 . . . . 375 THR H . 19272 1 913 . 1 1 213 213 THR CA C 13 66.427 0.3 . 1 . . . . 375 THR CA . 19272 1 914 . 1 1 213 213 THR CB C 13 67.799 0.3 . 1 . . . . 375 THR CB . 19272 1 915 . 1 1 213 213 THR N N 15 119.023 0.3 . 1 . . . . 375 THR N . 19272 1 916 . 1 1 214 214 ALA H H 1 8.209 0.020 . 1 . . . . 376 ALA H . 19272 1 917 . 1 1 214 214 ALA C C 13 177.717 0.3 . 1 . . . . 376 ALA C . 19272 1 918 . 1 1 214 214 ALA CA C 13 53.793 0.3 . 1 . . . . 376 ALA CA . 19272 1 919 . 1 1 214 214 ALA CB C 13 16.893 0.3 . 1 . . . . 376 ALA CB . 19272 1 920 . 1 1 214 214 ALA N N 15 123.416 0.3 . 1 . . . . 376 ALA N . 19272 1 921 . 1 1 215 215 GLU H H 1 8.381 0.020 . 1 . . . . 377 GLU H . 19272 1 922 . 1 1 215 215 GLU C C 13 177.077 0.3 . 1 . . . . 377 GLU C . 19272 1 923 . 1 1 215 215 GLU CA C 13 58.596 0.3 . 1 . . . . 377 GLU CA . 19272 1 924 . 1 1 215 215 GLU CB C 13 28.176 0.3 . 1 . . . . 377 GLU CB . 19272 1 925 . 1 1 215 215 GLU N N 15 120.179 0.3 . 1 . . . . 377 GLU N . 19272 1 926 . 1 1 216 216 THR H H 1 7.952 0.020 . 1 . . . . 378 THR H . 19272 1 927 . 1 1 216 216 THR C C 13 175.378 0.3 . 1 . . . . 378 THR C . 19272 1 928 . 1 1 216 216 THR CA C 13 65.746 0.3 . 1 . . . . 378 THR CA . 19272 1 929 . 1 1 216 216 THR CB C 13 67.874 0.3 . 1 . . . . 378 THR CB . 19272 1 930 . 1 1 216 216 THR N N 15 116.125 0.3 . 1 . . . . 378 THR N . 19272 1 931 . 1 1 217 217 LYS H H 1 7.560 0.020 . 1 . . . . 379 LYS H . 19272 1 932 . 1 1 217 217 LYS CA C 13 56.706 0.3 . 1 . . . . 379 LYS CA . 19272 1 933 . 1 1 217 217 LYS CB C 13 30.422 0.3 . 1 . . . . 379 LYS CB . 19272 1 934 . 1 1 217 217 LYS N N 15 122.909 0.3 . 1 . . . . 379 LYS N . 19272 1 935 . 1 1 218 218 ARG H H 1 9.120 0.020 . 1 . . . . 380 ARG H . 19272 1 936 . 1 1 218 218 ARG CA C 13 60.212 0.3 . 1 . . . . 380 ARG CA . 19272 1 937 . 1 1 218 218 ARG CB C 13 28.877 0.3 . 1 . . . . 380 ARG CB . 19272 1 938 . 1 1 218 218 ARG N N 15 121.477 0.3 . 1 . . . . 380 ARG N . 19272 1 939 . 1 1 219 219 ASN H H 1 8.272 0.020 . 1 . . . . 381 ASN H . 19272 1 940 . 1 1 219 219 ASN C C 13 176.042 0.3 . 1 . . . . 381 ASN C . 19272 1 941 . 1 1 219 219 ASN CA C 13 55.112 0.3 . 1 . . . . 381 ASN CA . 19272 1 942 . 1 1 219 219 ASN CB C 13 37.388 0.3 . 1 . . . . 381 ASN CB . 19272 1 943 . 1 1 219 219 ASN N N 15 117.225 0.3 . 1 . . . . 381 ASN N . 19272 1 944 . 1 1 220 220 MET H H 1 7.608 0.020 . 1 . . . . 382 MET H . 19272 1 945 . 1 1 220 220 MET C C 13 177.106 0.3 . 1 . . . . 382 MET C . 19272 1 946 . 1 1 220 220 MET CA C 13 57.813 0.3 . 1 . . . . 382 MET CA . 19272 1 947 . 1 1 220 220 MET CB C 13 30.294 0.3 . 1 . . . . 382 MET CB . 19272 1 948 . 1 1 220 220 MET N N 15 121.483 0.3 . 1 . . . . 382 MET N . 19272 1 949 . 1 1 221 221 TYR H H 1 7.801 0.020 . 1 . . . . 383 TYR H . 19272 1 950 . 1 1 221 221 TYR C C 13 176.438 0.3 . 1 . . . . 383 TYR C . 19272 1 951 . 1 1 221 221 TYR CA C 13 60.767 0.3 . 1 . . . . 383 TYR CA . 19272 1 952 . 1 1 221 221 TYR CB C 13 37.197 0.3 . 1 . . . . 383 TYR CB . 19272 1 953 . 1 1 221 221 TYR N N 15 119.936 0.3 . 1 . . . . 383 TYR N . 19272 1 954 . 1 1 222 222 GLU H H 1 8.444 0.020 . 1 . . . . 384 GLU H . 19272 1 955 . 1 1 222 222 GLU C C 13 177.265 0.3 . 1 . . . . 384 GLU C . 19272 1 956 . 1 1 222 222 GLU CA C 13 57.909 0.3 . 1 . . . . 384 GLU CA . 19272 1 957 . 1 1 222 222 GLU CB C 13 28.559 0.3 . 1 . . . . 384 GLU CB . 19272 1 958 . 1 1 222 222 GLU N N 15 121.087 0.3 . 1 . . . . 384 GLU N . 19272 1 959 . 1 1 223 223 SER H H 1 8.253 0.020 . 1 . . . . 385 SER H . 19272 1 960 . 1 1 223 223 SER CA C 13 59.636 0.3 . 1 . . . . 385 SER CA . 19272 1 961 . 1 1 223 223 SER CB C 13 62.610 0.3 . 1 . . . . 385 SER CB . 19272 1 962 . 1 1 223 223 SER N N 15 117.650 0.3 . 1 . . . . 385 SER N . 19272 1 963 . 1 1 224 224 LYS H H 1 7.791 0.020 . 1 . . . . 386 LYS H . 19272 1 964 . 1 1 224 224 LYS C C 13 175.867 0.3 . 1 . . . . 386 LYS C . 19272 1 965 . 1 1 224 224 LYS CA C 13 55.452 0.3 . 1 . . . . 386 LYS CA . 19272 1 966 . 1 1 224 224 LYS CB C 13 31.063 0.3 . 1 . . . . 386 LYS CB . 19272 1 967 . 1 1 224 224 LYS N N 15 121.484 0.3 . 1 . . . . 386 LYS N . 19272 1 968 . 1 1 225 225 GLY H H 1 8.055 0.020 . 1 . . . . 387 GLY H . 19272 1 969 . 1 1 225 225 GLY C C 13 173.171 0.3 . 1 . . . . 387 GLY C . 19272 1 970 . 1 1 225 225 GLY CA C 13 45.267 0.3 . 1 . . . . 387 GLY CA . 19272 1 971 . 1 1 225 225 GLY N N 15 110.563 0.3 . 1 . . . . 387 GLY N . 19272 1 972 . 1 1 226 226 SER H H 1 7.909 0.020 . 1 . . . . 388 SER H . 19272 1 973 . 1 1 226 226 SER C C 13 174.565 0.3 . 1 . . . . 388 SER C . 19272 1 974 . 1 1 226 226 SER CA C 13 58.010 0.3 . 1 . . . . 388 SER CA . 19272 1 975 . 1 1 226 226 SER CB C 13 63.362 0.3 . 1 . . . . 388 SER CB . 19272 1 976 . 1 1 226 226 SER N N 15 115.183 0.3 . 1 . . . . 388 SER N . 19272 1 977 . 1 1 228 228 ALA H H 1 8.184 0.020 . 1 . . . . 390 ALA H . 19272 1 978 . 1 1 228 228 ALA C C 13 176.282 0.3 . 1 . . . . 390 ALA C . 19272 1 979 . 1 1 228 228 ALA CA C 13 52.823 0.3 . 1 . . . . 390 ALA CA . 19272 1 980 . 1 1 228 228 ALA CB C 13 17.716 0.3 . 1 . . . . 390 ALA CB . 19272 1 981 . 1 1 228 228 ALA N N 15 126.404 0.3 . 1 . . . . 390 ALA N . 19272 1 982 . 1 1 229 229 VAL H H 1 7.366 0.020 . 1 . . . . 391 VAL H . 19272 1 983 . 1 1 229 229 VAL C C 13 174.529 0.3 . 1 . . . . 391 VAL C . 19272 1 984 . 1 1 229 229 VAL CA C 13 62.367 0.3 . 1 . . . . 391 VAL CA . 19272 1 985 . 1 1 229 229 VAL CB C 13 30.817 0.3 . 1 . . . . 391 VAL CB . 19272 1 986 . 1 1 229 229 VAL N N 15 115.924 0.3 . 1 . . . . 391 VAL N . 19272 1 987 . 1 1 230 230 ALA H H 1 7.741 0.020 . 1 . . . . 392 ALA H . 19272 1 988 . 1 1 230 230 ALA C C 13 175.006 0.3 . 1 . . . . 392 ALA C . 19272 1 989 . 1 1 230 230 ALA CA C 13 51.638 0.3 . 1 . . . . 392 ALA CA . 19272 1 990 . 1 1 230 230 ALA CB C 13 17.762 0.3 . 1 . . . . 392 ALA CB . 19272 1 991 . 1 1 230 230 ALA N N 15 125.358 0.3 . 1 . . . . 392 ALA N . 19272 1 992 . 1 1 231 231 ASP H H 1 7.589 0.020 . 1 . . . . 393 ASP H . 19272 1 993 . 1 1 231 231 ASP C C 13 174.932 0.3 . 1 . . . . 393 ASP C . 19272 1 994 . 1 1 231 231 ASP CA C 13 52.568 0.3 . 1 . . . . 393 ASP CA . 19272 1 995 . 1 1 231 231 ASP CB C 13 40.690 0.3 . 1 . . . . 393 ASP CB . 19272 1 996 . 1 1 231 231 ASP N N 15 120.572 0.3 . 1 . . . . 393 ASP N . 19272 1 997 . 1 1 232 232 ASP H H 1 8.542 0.020 . 1 . . . . 394 ASP H . 19272 1 998 . 1 1 232 232 ASP C C 13 176.032 0.3 . 1 . . . . 394 ASP C . 19272 1 999 . 1 1 232 232 ASP CA C 13 54.957 0.3 . 1 . . . . 394 ASP CA . 19272 1 1000 . 1 1 232 232 ASP CB C 13 39.801 0.3 . 1 . . . . 394 ASP CB . 19272 1 1001 . 1 1 232 232 ASP N N 15 124.955 0.3 . 1 . . . . 394 ASP N . 19272 1 1002 . 1 1 233 233 SER H H 1 8.598 0.020 . 1 . . . . 395 SER H . 19272 1 1003 . 1 1 233 233 SER CA C 13 59.427 0.3 . 1 . . . . 395 SER CA . 19272 1 1004 . 1 1 233 233 SER CB C 13 62.986 0.3 . 1 . . . . 395 SER CB . 19272 1 1005 . 1 1 233 233 SER N N 15 118.279 0.3 . 1 . . . . 395 SER N . 19272 1 1006 . 1 1 234 234 LYS H H 1 7.520 0.020 . 1 . . . . 396 LYS H . 19272 1 1007 . 1 1 234 234 LYS CA C 13 54.246 0.3 . 1 . . . . 396 LYS CA . 19272 1 1008 . 1 1 234 234 LYS N N 15 120.491 0.3 . 1 . . . . 396 LYS N . 19272 1 1009 . 1 1 235 235 LEU H H 1 8.763 0.020 . 1 . . . . 397 LEU H . 19272 1 1010 . 1 1 235 235 LEU C C 13 175.032 0.3 . 1 . . . . 397 LEU C . 19272 1 1011 . 1 1 235 235 LEU CA C 13 55.106 0.3 . 1 . . . . 397 LEU CA . 19272 1 1012 . 1 1 235 235 LEU CB C 13 37.515 0.3 . 1 . . . . 397 LEU CB . 19272 1 1013 . 1 1 235 235 LEU N N 15 116.086 0.3 . 1 . . . . 397 LEU N . 19272 1 1014 . 1 1 236 236 ARG H H 1 8.272 0.020 . 1 . . . . 398 ARG H . 19272 1 1015 . 1 1 236 236 ARG C C 13 173.593 0.3 . 1 . . . . 398 ARG C . 19272 1 1016 . 1 1 236 236 ARG CA C 13 53.358 0.3 . 1 . . . . 398 ARG CA . 19272 1 1017 . 1 1 236 236 ARG CB C 13 30.199 0.3 . 1 . . . . 398 ARG CB . 19272 1 1018 . 1 1 236 236 ARG N N 15 118.265 0.3 . 1 . . . . 398 ARG N . 19272 1 1019 . 1 1 237 237 PRO C C 13 172.457 0.3 . 1 . . . . 399 PRO C . 19272 1 1020 . 1 1 237 237 PRO CA C 13 62.990 0.3 . 1 . . . . 399 PRO CA . 19272 1 1021 . 1 1 237 237 PRO CB C 13 31.481 0.3 . 1 . . . . 399 PRO CB . 19272 1 1022 . 1 1 238 238 VAL H H 1 8.316 0.020 . 1 . . . . 400 VAL H . 19272 1 1023 . 1 1 238 238 VAL C C 13 172.347 0.3 . 1 . . . . 400 VAL C . 19272 1 1024 . 1 1 238 238 VAL CA C 13 60.380 0.3 . 1 . . . . 400 VAL CA . 19272 1 1025 . 1 1 238 238 VAL CB C 13 31.798 0.3 . 1 . . . . 400 VAL CB . 19272 1 1026 . 1 1 238 238 VAL N N 15 126.126 0.3 . 1 . . . . 400 VAL N . 19272 1 1027 . 1 1 239 239 ILE H H 1 8.740 0.020 . 1 . . . . 401 ILE H . 19272 1 1028 . 1 1 239 239 ILE CA C 13 58.781 0.3 . 1 . . . . 401 ILE CA . 19272 1 1029 . 1 1 239 239 ILE CB C 13 40.501 0.3 . 1 . . . . 401 ILE CB . 19272 1 1030 . 1 1 239 239 ILE N N 15 128.025 0.3 . 1 . . . . 401 ILE N . 19272 1 1031 . 1 1 240 240 HIS H H 1 8.325 0.020 . 1 . . . . 402 HIS H . 19272 1 1032 . 1 1 240 240 HIS C C 13 171.284 0.3 . 1 . . . . 402 HIS C . 19272 1 1033 . 1 1 240 240 HIS CA C 13 55.580 0.3 . 1 . . . . 402 HIS CA . 19272 1 1034 . 1 1 240 240 HIS CB C 13 33.808 0.3 . 1 . . . . 402 HIS CB . 19272 1 1035 . 1 1 240 240 HIS N N 15 117.396 0.3 . 1 . . . . 402 HIS N . 19272 1 1036 . 1 1 241 241 CYS H H 1 6.643 0.020 . 1 . . . . 403 CYS H . 19272 1 1037 . 1 1 241 241 CYS C C 13 173.643 0.3 . 1 . . . . 403 CYS C . 19272 1 1038 . 1 1 241 241 CYS CA C 13 54.910 0.3 . 1 . . . . 403 CYS CA . 19272 1 1039 . 1 1 241 241 CYS CB C 13 27.988 0.3 . 1 . . . . 403 CYS CB . 19272 1 1040 . 1 1 241 241 CYS N N 15 122.317 0.3 . 1 . . . . 403 CYS N . 19272 1 1041 . 1 1 242 242 ARG H H 1 8.717 0.020 . 1 . . . . 404 ARG H . 19272 1 1042 . 1 1 242 242 ARG C C 13 174.687 0.3 . 1 . . . . 404 ARG C . 19272 1 1043 . 1 1 242 242 ARG CA C 13 58.898 0.3 . 1 . . . . 404 ARG CA . 19272 1 1044 . 1 1 242 242 ARG CB C 13 29.221 0.3 . 1 . . . . 404 ARG CB . 19272 1 1045 . 1 1 242 242 ARG N N 15 127.354 0.3 . 1 . . . . 404 ARG N . 19272 1 1046 . 1 1 244 244 GLY H H 1 8.946 0.020 . 1 . . . . 406 GLY H . 19272 1 1047 . 1 1 244 244 GLY C C 13 173.703 0.3 . 1 . . . . 406 GLY C . 19272 1 1048 . 1 1 244 244 GLY CA C 13 47.044 0.3 . 1 . . . . 406 GLY CA . 19272 1 1049 . 1 1 244 244 GLY N N 15 111.962 0.3 . 1 . . . . 406 GLY N . 19272 1 1050 . 1 1 245 245 VAL H H 1 7.545 0.020 . 1 . . . . 407 VAL H . 19272 1 1051 . 1 1 245 245 VAL C C 13 173.538 0.3 . 1 . . . . 407 VAL C . 19272 1 1052 . 1 1 245 245 VAL CA C 13 59.313 0.3 . 1 . . . . 407 VAL CA . 19272 1 1053 . 1 1 245 245 VAL CB C 13 33.132 0.3 . 1 . . . . 407 VAL CB . 19272 1 1054 . 1 1 245 245 VAL N N 15 106.810 0.3 . 1 . . . . 407 VAL N . 19272 1 1055 . 1 1 247 247 ARG H H 1 9.178 0.020 . 1 . . . . 409 ARG H . 19272 1 1056 . 1 1 247 247 ARG C C 13 175.885 0.3 . 1 . . . . 409 ARG C . 19272 1 1057 . 1 1 247 247 ARG CA C 13 59.048 0.3 . 1 . . . . 409 ARG CA . 19272 1 1058 . 1 1 247 247 ARG CB C 13 28.695 0.3 . 1 . . . . 409 ARG CB . 19272 1 1059 . 1 1 247 247 ARG N N 15 133.178 0.3 . 1 . . . . 409 ARG N . 19272 1 1060 . 1 1 248 248 THR H H 1 8.204 0.020 . 1 . . . . 410 THR H . 19272 1 1061 . 1 1 248 248 THR C C 13 173.337 0.3 . 1 . . . . 410 THR C . 19272 1 1062 . 1 1 248 248 THR CA C 13 66.665 0.3 . 1 . . . . 410 THR CA . 19272 1 1063 . 1 1 248 248 THR CB C 13 68.250 0.3 . 1 . . . . 410 THR CB . 19272 1 1064 . 1 1 248 248 THR N N 15 114.464 0.3 . 1 . . . . 410 THR N . 19272 1 1065 . 1 1 249 249 ALA H H 1 6.297 0.020 . 1 . . . . 411 ALA H . 19272 1 1066 . 1 1 249 249 ALA C C 13 177.077 0.3 . 1 . . . . 411 ALA C . 19272 1 1067 . 1 1 249 249 ALA CA C 13 53.861 0.3 . 1 . . . . 411 ALA CA . 19272 1 1068 . 1 1 249 249 ALA CB C 13 20.348 0.3 . 1 . . . . 411 ALA CB . 19272 1 1069 . 1 1 249 249 ALA N N 15 121.476 0.3 . 1 . . . . 411 ALA N . 19272 1 1070 . 1 1 250 250 GLN H H 1 7.839 0.020 . 1 . . . . 412 GLN H . 19272 1 1071 . 1 1 250 250 GLN C C 13 175.372 0.3 . 1 . . . . 412 GLN C . 19272 1 1072 . 1 1 250 250 GLN CA C 13 58.662 0.3 . 1 . . . . 412 GLN CA . 19272 1 1073 . 1 1 250 250 GLN CB C 13 27.792 0.3 . 1 . . . . 412 GLN CB . 19272 1 1074 . 1 1 250 250 GLN N N 15 119.763 0.3 . 1 . . . . 412 GLN N . 19272 1 1075 . 1 1 251 251 LEU H H 1 7.865 0.020 . 1 . . . . 413 LEU H . 19272 1 1076 . 1 1 251 251 LEU CA C 13 57.262 0.3 . 1 . . . . 413 LEU CA . 19272 1 1077 . 1 1 251 251 LEU CB C 13 39.562 0.3 . 1 . . . . 413 LEU CB . 19272 1 1078 . 1 1 251 251 LEU N N 15 117.755 0.3 . 1 . . . . 413 LEU N . 19272 1 1079 . 1 1 252 252 ILE H H 1 8.329 0.020 . 1 . . . . 414 ILE H . 19272 1 1080 . 1 1 252 252 ILE C C 13 177.260 0.3 . 1 . . . . 414 ILE C . 19272 1 1081 . 1 1 252 252 ILE CA C 13 65.693 0.3 . 1 . . . . 414 ILE CA . 19272 1 1082 . 1 1 252 252 ILE CB C 13 36.689 0.3 . 1 . . . . 414 ILE CB . 19272 1 1083 . 1 1 252 252 ILE N N 15 120.059 0.3 . 1 . . . . 414 ILE N . 19272 1 1084 . 1 1 253 253 GLY H H 1 8.491 0.020 . 1 . . . . 415 GLY H . 19272 1 1085 . 1 1 253 253 GLY C C 13 172.480 0.3 . 1 . . . . 415 GLY C . 19272 1 1086 . 1 1 253 253 GLY CA C 13 46.597 0.3 . 1 . . . . 415 GLY CA . 19272 1 1087 . 1 1 253 253 GLY N N 15 106.840 0.3 . 1 . . . . 415 GLY N . 19272 1 1088 . 1 1 254 254 ALA H H 1 7.536 0.020 . 1 . . . . 416 ALA H . 19272 1 1089 . 1 1 254 254 ALA CA C 13 54.878 0.3 . 1 . . . . 416 ALA CA . 19272 1 1090 . 1 1 254 254 ALA CB C 13 18.167 0.3 . 1 . . . . 416 ALA CB . 19272 1 1091 . 1 1 254 254 ALA N N 15 124.286 0.3 . 1 . . . . 416 ALA N . 19272 1 1092 . 1 1 255 255 MET H H 1 8.684 0.020 . 1 . . . . 417 MET H . 19272 1 1093 . 1 1 255 255 MET C C 13 178.305 0.3 . 1 . . . . 417 MET C . 19272 1 1094 . 1 1 255 255 MET CA C 13 59.285 0.3 . 1 . . . . 417 MET CA . 19272 1 1095 . 1 1 255 255 MET CB C 13 32.530 0.3 . 1 . . . . 417 MET CB . 19272 1 1096 . 1 1 255 255 MET N N 15 120.064 0.3 . 1 . . . . 417 MET N . 19272 1 1097 . 1 1 256 256 CYS H H 1 8.530 0.020 . 1 . . . . 418 CYS H . 19272 1 1098 . 1 1 256 256 CYS C C 13 176.680 0.3 . 1 . . . . 418 CYS C . 19272 1 1099 . 1 1 256 256 CYS CA C 13 61.018 0.3 . 1 . . . . 418 CYS CA . 19272 1 1100 . 1 1 256 256 CYS CB C 13 25.988 0.3 . 1 . . . . 418 CYS CB . 19272 1 1101 . 1 1 256 256 CYS N N 15 120.686 0.3 . 1 . . . . 418 CYS N . 19272 1 1102 . 1 1 257 257 MET H H 1 7.502 0.020 . 1 . . . . 419 MET H . 19272 1 1103 . 1 1 257 257 MET CA C 13 57.590 0.3 . 1 . . . . 419 MET CA . 19272 1 1104 . 1 1 257 257 MET CB C 13 31.293 0.3 . 1 . . . . 419 MET CB . 19272 1 1105 . 1 1 257 257 MET N N 15 116.320 0.3 . 1 . . . . 419 MET N . 19272 1 1106 . 1 1 258 258 ASN H H 1 7.369 0.020 . 1 . . . . 420 ASN H . 19272 1 1107 . 1 1 258 258 ASN C C 13 172.932 0.3 . 1 . . . . 420 ASN C . 19272 1 1108 . 1 1 258 258 ASN CA C 13 52.438 0.3 . 1 . . . . 420 ASN CA . 19272 1 1109 . 1 1 258 258 ASN CB C 13 37.982 0.3 . 1 . . . . 420 ASN CB . 19272 1 1110 . 1 1 258 258 ASN N N 15 118.905 0.3 . 1 . . . . 420 ASN N . 19272 1 1111 . 1 1 259 259 ASP H H 1 6.784 0.020 . 1 . . . . 421 ASP H . 19272 1 1112 . 1 1 259 259 ASP C C 13 176.802 0.3 . 1 . . . . 421 ASP C . 19272 1 1113 . 1 1 259 259 ASP CA C 13 52.260 0.3 . 1 . . . . 421 ASP CA . 19272 1 1114 . 1 1 259 259 ASP CB C 13 40.501 0.3 . 1 . . . . 421 ASP CB . 19272 1 1115 . 1 1 259 259 ASP N N 15 120.051 0.3 . 1 . . . . 421 ASP N . 19272 1 1116 . 1 1 261 261 ARG H H 1 8.676 0.020 . 1 . . . . 423 ARG H . 19272 1 1117 . 1 1 261 261 ARG C C 13 176.095 0.3 . 1 . . . . 423 ARG C . 19272 1 1118 . 1 1 261 261 ARG CA C 13 57.079 0.3 . 1 . . . . 423 ARG CA . 19272 1 1119 . 1 1 261 261 ARG CB C 13 28.319 0.3 . 1 . . . . 423 ARG CB . 19272 1 1120 . 1 1 261 261 ARG N N 15 122.256 0.3 . 1 . . . . 423 ARG N . 19272 1 1121 . 1 1 262 262 ASN H H 1 7.942 0.020 . 1 . . . . 424 ASN H . 19272 1 1122 . 1 1 262 262 ASN C C 13 176.813 0.3 . 1 . . . . 424 ASN C . 19272 1 1123 . 1 1 262 262 ASN CA C 13 51.553 0.3 . 1 . . . . 424 ASN CA . 19272 1 1124 . 1 1 262 262 ASN CB C 13 36.967 0.3 . 1 . . . . 424 ASN CB . 19272 1 1125 . 1 1 262 262 ASN N N 15 117.098 0.3 . 1 . . . . 424 ASN N . 19272 1 1126 . 1 1 263 263 SER H H 1 7.347 0.020 . 1 . . . . 425 SER H . 19272 1 1127 . 1 1 263 263 SER C C 13 172.932 0.3 . 1 . . . . 425 SER C . 19272 1 1128 . 1 1 263 263 SER CA C 13 62.041 0.3 . 1 . . . . 425 SER CA . 19272 1 1129 . 1 1 263 263 SER CB C 13 62.685 0.3 . 1 . . . . 425 SER CB . 19272 1 1130 . 1 1 263 263 SER N N 15 118.905 0.3 . 1 . . . . 425 SER N . 19272 1 1131 . 1 1 264 264 GLN H H 1 8.632 0.020 . 1 . . . . 426 GLN H . 19272 1 1132 . 1 1 264 264 GLN C C 13 174.421 0.3 . 1 . . . . 426 GLN C . 19272 1 1133 . 1 1 264 264 GLN CA C 13 55.343 0.3 . 1 . . . . 426 GLN CA . 19272 1 1134 . 1 1 264 264 GLN CB C 13 27.536 0.3 . 1 . . . . 426 GLN CB . 19272 1 1135 . 1 1 264 264 GLN N N 15 119.038 0.3 . 1 . . . . 426 GLN N . 19272 1 1136 . 1 1 265 265 LEU H H 1 7.039 0.020 . 1 . . . . 427 LEU H . 19272 1 1137 . 1 1 265 265 LEU CA C 13 54.602 0.3 . 1 . . . . 427 LEU CA . 19272 1 1138 . 1 1 265 265 LEU CB C 13 41.615 0.3 . 1 . . . . 427 LEU CB . 19272 1 1139 . 1 1 265 265 LEU N N 15 120.032 0.3 . 1 . . . . 427 LEU N . 19272 1 1140 . 1 1 266 266 SER H H 1 8.982 0.020 . 1 . . . . 428 SER H . 19272 1 1141 . 1 1 266 266 SER CA C 13 56.124 0.3 . 1 . . . . 428 SER CA . 19272 1 1142 . 1 1 266 266 SER CB C 13 64.762 0.3 . 1 . . . . 428 SER CB . 19272 1 1143 . 1 1 266 266 SER N N 15 120.382 0.3 . 1 . . . . 428 SER N . 19272 1 1144 . 1 1 267 267 VAL H H 1 8.218 0.020 . 1 . . . . 429 VAL H . 19272 1 1145 . 1 1 267 267 VAL C C 13 175.904 0.3 . 1 . . . . 429 VAL C . 19272 1 1146 . 1 1 267 267 VAL CA C 13 66.874 0.3 . 1 . . . . 429 VAL CA . 19272 1 1147 . 1 1 267 267 VAL CB C 13 29.388 0.3 . 1 . . . . 429 VAL CB . 19272 1 1148 . 1 1 267 267 VAL N N 15 120.953 0.3 . 1 . . . . 429 VAL N . 19272 1 1149 . 1 1 274 274 MET H H 1 7.401 0.020 . 1 . . . . 436 MET H . 19272 1 1150 . 1 1 274 274 MET C C 13 175.883 0.3 . 1 . . . . 436 MET C . 19272 1 1151 . 1 1 274 274 MET CA C 13 60.174 0.3 . 1 . . . . 436 MET CA . 19272 1 1152 . 1 1 274 274 MET CB C 13 33.102 0.3 . 1 . . . . 436 MET CB . 19272 1 1153 . 1 1 274 274 MET N N 15 115.942 0.3 . 1 . . . . 436 MET N . 19272 1 1154 . 1 1 275 275 ARG H H 1 7.840 0.020 . 1 . . . . 437 ARG H . 19272 1 1155 . 1 1 275 275 ARG C C 13 177.159 0.3 . 1 . . . . 437 ARG C . 19272 1 1156 . 1 1 275 275 ARG CA C 13 56.765 0.3 . 1 . . . . 437 ARG CA . 19272 1 1157 . 1 1 275 275 ARG CB C 13 27.988 0.3 . 1 . . . . 437 ARG CB . 19272 1 1158 . 1 1 275 275 ARG N N 15 116.363 0.3 . 1 . . . . 437 ARG N . 19272 1 1159 . 1 1 276 276 VAL H H 1 8.107 0.020 . 1 . . . . 438 VAL H . 19272 1 1160 . 1 1 276 276 VAL C C 13 174.819 0.3 . 1 . . . . 438 VAL C . 19272 1 1161 . 1 1 276 276 VAL CA C 13 64.062 0.3 . 1 . . . . 438 VAL CA . 19272 1 1162 . 1 1 276 276 VAL CB C 13 30.349 0.3 . 1 . . . . 438 VAL CB . 19272 1 1163 . 1 1 276 276 VAL N N 15 117.074 0.3 . 1 . . . . 438 VAL N . 19272 1 1164 . 1 1 277 277 GLN H H 1 7.043 0.020 . 1 . . . . 439 GLN H . 19272 1 1165 . 1 1 277 277 GLN C C 13 173.464 0.3 . 1 . . . . 439 GLN C . 19272 1 1166 . 1 1 277 277 GLN CA C 13 55.504 0.3 . 1 . . . . 439 GLN CA . 19272 1 1167 . 1 1 277 277 GLN CB C 13 29.447 0.3 . 1 . . . . 439 GLN CB . 19272 1 1168 . 1 1 277 277 GLN N N 15 114.808 0.3 . 1 . . . . 439 GLN N . 19272 1 1169 . 1 1 278 278 ARG H H 1 7.135 0.020 . 1 . . . . 440 ARG H . 19272 1 1170 . 1 1 278 278 ARG C C 13 170.495 0.3 . 1 . . . . 440 ARG C . 19272 1 1171 . 1 1 278 278 ARG CA C 13 58.751 0.3 . 1 . . . . 440 ARG CA . 19272 1 1172 . 1 1 278 278 ARG CB C 13 27.416 0.3 . 1 . . . . 440 ARG CB . 19272 1 1173 . 1 1 278 278 ARG N N 15 120.459 0.3 . 1 . . . . 440 ARG N . 19272 1 1174 . 1 1 279 279 ASN H H 1 6.979 0.020 . 1 . . . . 441 ASN H . 19272 1 1175 . 1 1 279 279 ASN C C 13 173.676 0.3 . 1 . . . . 441 ASN C . 19272 1 1176 . 1 1 279 279 ASN CA C 13 53.835 0.3 . 1 . . . . 441 ASN CA . 19272 1 1177 . 1 1 279 279 ASN CB C 13 37.008 0.3 . 1 . . . . 441 ASN CB . 19272 1 1178 . 1 1 279 279 ASN N N 15 109.775 0.3 . 1 . . . . 441 ASN N . 19272 1 1179 . 1 1 280 280 GLY H H 1 9.017 0.020 . 1 . . . . 442 GLY H . 19272 1 1180 . 1 1 280 280 GLY C C 13 169.131 0.3 . 1 . . . . 442 GLY C . 19272 1 1181 . 1 1 280 280 GLY CA C 13 46.217 0.3 . 1 . . . . 442 GLY CA . 19272 1 1182 . 1 1 280 280 GLY N N 15 103.855 0.3 . 1 . . . . 442 GLY N . 19272 1 1183 . 1 1 281 281 ILE H H 1 8.370 0.020 . 1 . . . . 443 ILE H . 19272 1 1184 . 1 1 281 281 ILE C C 13 173.730 0.3 . 1 . . . . 443 ILE C . 19272 1 1185 . 1 1 281 281 ILE CA C 13 58.010 0.3 . 1 . . . . 443 ILE CA . 19272 1 1186 . 1 1 281 281 ILE CB C 13 35.165 0.3 . 1 . . . . 443 ILE CB . 19272 1 1187 . 1 1 281 281 ILE N N 15 118.394 0.3 . 1 . . . . 443 ILE N . 19272 1 1188 . 1 1 282 282 MET H H 1 6.611 0.020 . 1 . . . . 444 MET H . 19272 1 1189 . 1 1 282 282 MET C C 13 177.557 0.3 . 1 . . . . 444 MET C . 19272 1 1190 . 1 1 282 282 MET CA C 13 55.772 0.3 . 1 . . . . 444 MET CA . 19272 1 1191 . 1 1 282 282 MET CB C 13 30.719 0.3 . 1 . . . . 444 MET CB . 19272 1 1192 . 1 1 282 282 MET N N 15 114.921 0.3 . 1 . . . . 444 MET N . 19272 1 1193 . 1 1 283 283 VAL H H 1 8.664 0.020 . 1 . . . . 445 VAL H . 19272 1 1194 . 1 1 283 283 VAL C C 13 170.274 0.3 . 1 . . . . 445 VAL C . 19272 1 1195 . 1 1 283 283 VAL CA C 13 66.310 0.3 . 1 . . . . 445 VAL CA . 19272 1 1196 . 1 1 283 283 VAL CB C 13 26.589 0.3 . 1 . . . . 445 VAL CB . 19272 1 1197 . 1 1 283 283 VAL N N 15 120.839 0.3 . 1 . . . . 445 VAL N . 19272 1 1198 . 1 1 284 284 GLN H H 1 7.043 0.020 . 1 . . . . 446 GLN H . 19272 1 1199 . 1 1 284 284 GLN C C 13 174.785 0.3 . 1 . . . . 446 GLN C . 19272 1 1200 . 1 1 284 284 GLN CA C 13 57.981 0.3 . 1 . . . . 446 GLN CA . 19272 1 1201 . 1 1 284 284 GLN CB C 13 29.067 0.3 . 1 . . . . 446 GLN CB . 19272 1 1202 . 1 1 284 284 GLN N N 15 128.360 0.3 . 1 . . . . 446 GLN N . 19272 1 1203 . 1 1 285 285 LYS H H 1 7.887 0.020 . 1 . . . . 447 LYS H . 19272 1 1204 . 1 1 285 285 LYS C C 13 176.308 0.3 . 1 . . . . 447 LYS C . 19272 1 1205 . 1 1 285 285 LYS CA C 13 52.912 0.3 . 1 . . . . 447 LYS CA . 19272 1 1206 . 1 1 285 285 LYS CB C 13 33.959 0.3 . 1 . . . . 447 LYS CB . 19272 1 1207 . 1 1 285 285 LYS N N 15 116.150 0.3 . 1 . . . . 447 LYS N . 19272 1 1208 . 1 1 286 286 ASP H H 1 9.024 0.020 . 1 . . . . 448 ASP H . 19272 1 1209 . 1 1 286 286 ASP C C 13 176.564 0.3 . 1 . . . . 448 ASP C . 19272 1 1210 . 1 1 286 286 ASP CA C 13 57.121 0.3 . 1 . . . . 448 ASP CA . 19272 1 1211 . 1 1 286 286 ASP N N 15 126.162 0.3 . 1 . . . . 448 ASP N . 19272 1 1212 . 1 1 287 287 GLU H H 1 9.241 0.020 . 1 . . . . 449 GLU H . 19272 1 1213 . 1 1 287 287 GLU C C 13 177.572 0.3 . 1 . . . . 449 GLU C . 19272 1 1214 . 1 1 287 287 GLU CA C 13 58.643 0.3 . 1 . . . . 449 GLU CA . 19272 1 1215 . 1 1 287 287 GLU CB C 13 27.492 0.3 . 1 . . . . 449 GLU CB . 19272 1 1216 . 1 1 287 287 GLU N N 15 117.866 0.3 . 1 . . . . 449 GLU N . 19272 1 1217 . 1 1 288 288 GLN H H 1 6.977 0.020 . 1 . . . . 450 GLN H . 19272 1 1218 . 1 1 288 288 GLN C C 13 176.361 0.3 . 1 . . . . 450 GLN C . 19272 1 1219 . 1 1 288 288 GLN CA C 13 57.092 0.3 . 1 . . . . 450 GLN CA . 19272 1 1220 . 1 1 288 288 GLN CB C 13 25.683 0.3 . 1 . . . . 450 GLN CB . 19272 1 1221 . 1 1 288 288 GLN N N 15 118.654 0.3 . 1 . . . . 450 GLN N . 19272 1 1222 . 1 1 289 289 LEU H H 1 6.997 0.020 . 1 . . . . 451 LEU H . 19272 1 1223 . 1 1 289 289 LEU C C 13 177.185 0.3 . 1 . . . . 451 LEU C . 19272 1 1224 . 1 1 289 289 LEU CA C 13 56.950 0.3 . 1 . . . . 451 LEU CA . 19272 1 1225 . 1 1 289 289 LEU CB C 13 39.073 0.3 . 1 . . . . 451 LEU CB . 19272 1 1226 . 1 1 289 289 LEU N N 15 121.653 0.3 . 1 . . . . 451 LEU N . 19272 1 1227 . 1 1 290 290 ASP H H 1 8.552 0.020 . 1 . . . . 452 ASP H . 19272 1 1228 . 1 1 290 290 ASP C C 13 177.531 0.3 . 1 . . . . 452 ASP C . 19272 1 1229 . 1 1 290 290 ASP CA C 13 57.111 0.3 . 1 . . . . 452 ASP CA . 19272 1 1230 . 1 1 290 290 ASP CB C 13 39.293 0.3 . 1 . . . . 452 ASP CB . 19272 1 1231 . 1 1 290 290 ASP N N 15 118.518 0.3 . 1 . . . . 452 ASP N . 19272 1 1232 . 1 1 291 291 VAL H H 1 7.079 0.020 . 1 . . . . 453 VAL H . 19272 1 1233 . 1 1 291 291 VAL C C 13 175.830 0.3 . 1 . . . . 453 VAL C . 19272 1 1234 . 1 1 291 291 VAL CA C 13 66.339 0.3 . 1 . . . . 453 VAL CA . 19272 1 1235 . 1 1 291 291 VAL CB C 13 30.182 0.3 . 1 . . . . 453 VAL CB . 19272 1 1236 . 1 1 291 291 VAL N N 15 120.741 0.3 . 1 . . . . 453 VAL N . 19272 1 1237 . 1 1 292 292 LEU H H 1 7.104 0.020 . 1 . . . . 454 LEU H . 19272 1 1238 . 1 1 292 292 LEU C C 13 177.425 0.3 . 1 . . . . 454 LEU C . 19272 1 1239 . 1 1 292 292 LEU CA C 13 57.329 0.3 . 1 . . . . 454 LEU CA . 19272 1 1240 . 1 1 292 292 LEU CB C 13 39.127 0.3 . 1 . . . . 454 LEU CB . 19272 1 1241 . 1 1 292 292 LEU N N 15 118.467 0.3 . 1 . . . . 454 LEU N . 19272 1 1242 . 1 1 293 293 ILE H H 1 8.551 0.020 . 1 . . . . 455 ILE H . 19272 1 1243 . 1 1 293 293 ILE C C 13 175.325 0.3 . 1 . . . . 455 ILE C . 19272 1 1244 . 1 1 293 293 ILE CA C 13 65.606 0.3 . 1 . . . . 455 ILE CA . 19272 1 1245 . 1 1 293 293 ILE CB C 13 36.624 0.3 . 1 . . . . 455 ILE CB . 19272 1 1246 . 1 1 293 293 ILE N N 15 120.450 0.3 . 1 . . . . 455 ILE N . 19272 1 1247 . 1 1 294 294 LYS H H 1 8.029 0.020 . 1 . . . . 456 LYS H . 19272 1 1248 . 1 1 294 294 LYS CA C 13 58.260 0.3 . 1 . . . . 456 LYS CA . 19272 1 1249 . 1 1 294 294 LYS CB C 13 30.782 0.3 . 1 . . . . 456 LYS CB . 19272 1 1250 . 1 1 294 294 LYS N N 15 121.716 0.3 . 1 . . . . 456 LYS N . 19272 1 1251 . 1 1 295 295 LEU H H 1 8.236 0.020 . 1 . . . . 457 LEU H . 19272 1 1252 . 1 1 295 295 LEU C C 13 178.302 0.3 . 1 . . . . 457 LEU C . 19272 1 1253 . 1 1 295 295 LEU CA C 13 56.920 0.3 . 1 . . . . 457 LEU CA . 19272 1 1254 . 1 1 295 295 LEU CB C 13 40.426 0.3 . 1 . . . . 457 LEU CB . 19272 1 1255 . 1 1 295 295 LEU N N 15 121.753 0.3 . 1 . . . . 457 LEU N . 19272 1 1256 . 1 1 296 296 ALA H H 1 8.151 0.020 . 1 . . . . 458 ALA H . 19272 1 1257 . 1 1 296 296 ALA CA C 13 54.699 0.3 . 1 . . . . 458 ALA CA . 19272 1 1258 . 1 1 296 296 ALA CB C 13 17.565 0.3 . 1 . . . . 458 ALA CB . 19272 1 1259 . 1 1 296 296 ALA N N 15 123.911 0.3 . 1 . . . . 458 ALA N . 19272 1 1260 . 1 1 297 297 GLU H H 1 8.734 0.020 . 1 . . . . 459 GLU H . 19272 1 1261 . 1 1 297 297 GLU CA C 13 58.417 0.3 . 1 . . . . 459 GLU CA . 19272 1 1262 . 1 1 297 297 GLU CB C 13 27.732 0.3 . 1 . . . . 459 GLU CB . 19272 1 1263 . 1 1 297 297 GLU N N 15 122.504 0.3 . 1 . . . . 459 GLU N . 19272 1 1264 . 1 1 298 298 GLY H H 1 7.539 0.020 . 1 . . . . 460 GLY H . 19272 1 1265 . 1 1 298 298 GLY C C 13 173.198 0.3 . 1 . . . . 460 GLY C . 19272 1 1266 . 1 1 298 298 GLY CA C 13 45.998 0.3 . 1 . . . . 460 GLY CA . 19272 1 1267 . 1 1 298 298 GLY N N 15 105.914 0.3 . 1 . . . . 460 GLY N . 19272 1 1268 . 1 1 299 299 GLN H H 1 7.266 0.020 . 1 . . . . 461 GLN H . 19272 1 1269 . 1 1 299 299 GLN CA C 13 54.691 0.3 . 1 . . . . 461 GLN CA . 19272 1 1270 . 1 1 299 299 GLN CB C 13 28.813 0.3 . 1 . . . . 461 GLN CB . 19272 1 1271 . 1 1 299 299 GLN N N 15 116.654 0.3 . 1 . . . . 461 GLN N . 19272 1 1272 . 1 1 300 300 GLY H H 1 7.782 0.020 . 1 . . . . 462 GLY H . 19272 1 1273 . 1 1 300 300 GLY C C 13 172.933 0.3 . 1 . . . . 462 GLY C . 19272 1 1274 . 1 1 300 300 GLY CA C 13 46.089 0.3 . 1 . . . . 462 GLY CA . 19272 1 1275 . 1 1 300 300 GLY N N 15 111.706 0.3 . 1 . . . . 462 GLY N . 19272 1 1276 . 1 1 301 301 ARG H H 1 7.939 0.020 . 1 . . . . 463 ARG H . 19272 1 1277 . 1 1 301 301 ARG C C 13 173.650 0.3 . 1 . . . . 463 ARG C . 19272 1 1278 . 1 1 301 301 ARG CA C 13 52.705 0.3 . 1 . . . . 463 ARG CA . 19272 1 1279 . 1 1 301 301 ARG CB C 13 31.402 0.3 . 1 . . . . 463 ARG CB . 19272 1 1280 . 1 1 301 301 ARG N N 15 123.015 0.3 . 1 . . . . 463 ARG N . 19272 1 1281 . 1 1 302 302 PRO C C 13 175.482 0.3 . 1 . . . . 464 PRO C . 19272 1 1282 . 1 1 302 302 PRO CA C 13 62.476 0.3 . 1 . . . . 464 PRO CA . 19272 1 1283 . 1 1 302 302 PRO CB C 13 30.876 0.3 . 1 . . . . 464 PRO CB . 19272 1 1284 . 1 1 303 303 LEU H H 1 8.711 0.020 . 1 . . . . 465 LEU H . 19272 1 1285 . 1 1 303 303 LEU CA C 13 56.439 0.3 . 1 . . . . 465 LEU CA . 19272 1 1286 . 1 1 303 303 LEU CB C 13 41.199 0.3 . 1 . . . . 465 LEU CB . 19272 1 1287 . 1 1 303 303 LEU N N 15 119.151 0.3 . 1 . . . . 465 LEU N . 19272 1 1288 . 1 1 304 304 LEU H H 1 7.504 0.020 . 1 . . . . 466 LEU H . 19272 1 1289 . 1 1 304 304 LEU C C 13 175.936 0.3 . 1 . . . . 466 LEU C . 19272 1 1290 . 1 1 304 304 LEU CA C 13 52.883 0.3 . 1 . . . . 466 LEU CA . 19272 1 1291 . 1 1 304 304 LEU CB C 13 43.803 0.3 . 1 . . . . 466 LEU CB . 19272 1 1292 . 1 1 304 304 LEU N N 15 116.751 0.3 . 1 . . . . 466 LEU N . 19272 1 1293 . 1 1 305 305 ASN H H 1 8.661 0.020 . 1 . . . . 467 ASN H . 19272 1 1294 . 1 1 305 305 ASN C C 13 173.960 0.3 . 1 . . . . 467 ASN C . 19272 1 1295 . 1 1 305 305 ASN CA C 13 52.494 0.3 . 1 . . . . 467 ASN CA . 19272 1 1296 . 1 1 305 305 ASN CB C 13 37.008 0.3 . 1 . . . . 467 ASN CB . 19272 1 1297 . 1 1 305 305 ASN N N 15 121.215 0.3 . 1 . . . . 467 ASN N . 19272 1 1298 . 1 1 306 306 SER H H 1 8.092 0.020 . 1 . . . . 468 SER H . 19272 1 1299 . 1 1 306 306 SER C C 13 176.999 0.3 . 1 . . . . 468 SER C . 19272 1 1300 . 1 1 306 306 SER CA C 13 59.663 0.3 . 1 . . . . 468 SER CA . 19272 1 1301 . 1 1 306 306 SER CB C 13 64.039 0.3 . 1 . . . . 468 SER CB . 19272 1 1302 . 1 1 306 306 SER N N 15 124.175 0.3 . 1 . . . . 468 SER N . 19272 1 stop_ save_