data_16451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16451 _Entry.Title ; Structural tightening and interdomain communication in the catalytic cycle of phosphoglycerate kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-17 _Entry.Accession_date 2009-08-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 James Marston . P. . 16451 2 Matthew Cliff . J. . 16451 3 Michelle Reed . 'A. C.' . 16451 4 'G. Michael' Blackburn . . . 16451 5 Andrea Hounslow . M. . 16451 6 'C. Jeremy' Craven . . . 16451 7 Jonathan Waltho . P. . 16451 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Waltho Group' . 16451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 701 16451 '15N chemical shifts' 355 16451 '1H chemical shifts' 355 16451 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-02-03 2009-08-17 update BMRB 'complete entry citation' 16451 1 . . 2009-12-11 2009-08-17 original author 'original release' 16451 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19944703 _Citation.Full_citation . _Citation.Title 'Structural Tightening and Interdomain Communication in the Catalytic Cycle of Phosphoglycerate Kinase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 396 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 345 _Citation.Page_last 360 _Citation.Year 2010 _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 James Marston . P. . 16451 1 2 Matthew Cliff . J. . 16451 1 3 Michelle Reed . A.C. . 16451 1 4 'G. Michael' Blackburn . . . 16451 1 5 Andrea Hounslow . M. . 16451 1 6 'C. Jeremy' Craven . . . 16451 1 7 Jonathan Waltho . P. . 16451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16451 _Assembly.ID 1 _Assembly.Name adp-PGK _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PGK 1 $PGK A . yes native no no . . . 16451 1 2 'Adenosine Diphosphate' 2 $ADP A . no native no no . . . 16451 1 3 'Magnesium(+2) cation' 3 $MG A . no native no no . . . 16451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PGK _Entity.Sf_category entity _Entity.Sf_framecode PGK _Entity.Entry_ID 16451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PGK _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 ; MNKKTIRDVDVRGKRVFCRV DFNVPMEQGAITDDTRIRAA LPTIRYLIEHGAKVILASHL GRPKGKVVEELRLDAVAKRL GELLERPVAKTNEAVGDEVK AAVDRLNEGDVLLLENVRFY PGEEKNDPELAKAFAELADL YVNDAFGAAHRAHASTEGIA HYLPAVAGFLMEKELEVLGK ALSNPDRPFTAIIGGAKVKD KIGVIDNLLEKVDNLIIGGG LAYTFVKALGHDVGKSLLEE DKIELAKSFMEKAKEKGVRF YMPVDVVVADRFANDANTKV VPIDAIPADYSALDIGPKTR ELYRDVIRESKLVVWNGPMG VFEMDAFAHGTKAIAEALAE ALDTYSVIGGGDSAAAVEKF GLADKMDHISTGGGASLEFM EGKQLPGVVALEDK ; _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 394 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation W290Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 no BMRB 16447 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 16451 1 2 no BMRB 16464 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 16451 1 3 no BMRB 17115 . PGK . . . . . 100.00 394 100.00 100.00 0.00e+00 . . . . 16451 1 4 no PDB 1PHP . "Structure Of The Adp Complex Of The 3-Phosphoglycerate Kinase From Bacillus Stearothermophilus At 1.65 Angstroms" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 16451 1 5 no DBJ BAD77342 . "3-phosphoglycerate kinase [Geobacillus kaustophilus HTA426]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 6 no DBJ GAD14836 . "phosphoglycerate kinase [Geobacillus kaustophilus GBlys]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 7 no DBJ GAJ57507 . "phosphoglycerate kinase [Geobacillus thermoleovorans B23]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 8 no EMBL CAA41093 . "3-phosphoglycerate kinase [Geobacillus stearothermophilus]" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 16451 1 9 no GB ACX79693 . "Phosphoglycerate kinase [Geobacillus sp. Y412MC61]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 16451 1 10 no GB ADI28008 . "Phosphoglycerate kinase [Geobacillus sp. C56-T3]" . . . . . 100.00 394 97.46 99.24 0.00e+00 . . . . 16451 1 11 no GB ADU95522 . "Phosphoglycerate kinase [Geobacillus sp. Y412MC52]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 16451 1 12 no GB AEV20724 . "Phosphoglycerate kinase [Geobacillus thermoleovorans CCB_US3_UF5]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 13 no GB AGE23620 . "phosphoglycerate kinase [Geobacillus sp. GHH01]" . . . . . 100.00 394 97.72 98.98 0.00e+00 . . . . 16451 1 14 no REF WP_011232527 . "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 15 no REF WP_013146368 . "phosphoglycerate kinase [Geobacillus sp. C56-T3]" . . . . . 100.00 394 97.46 99.24 0.00e+00 . . . . 16451 1 16 no REF WP_013524587 . "MULTISPECIES: phosphoglycerate kinase [Geobacillus]" . . . . . 100.00 394 97.21 99.24 0.00e+00 . . . . 16451 1 17 no REF WP_015375782 . "phosphoglycerate kinase [Geobacillus sp. GHH01]" . . . . . 100.00 394 97.72 98.98 0.00e+00 . . . . 16451 1 18 no REF WP_023633686 . "phosphoglycerate kinase [Geobacillus sp. MAS1]" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 1 19 no SP P18912 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.00 394 99.75 100.00 0.00e+00 . . . . 16451 1 20 no SP Q5KVE4 . "RecName: Full=Phosphoglycerate kinase" . . . . . 100.00 394 97.97 99.24 0.00e+00 . . . . 16451 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 . MET . 16451 1 2 . ASN . 16451 1 3 . LYS . 16451 1 4 . LYS . 16451 1 5 . THR . 16451 1 6 . ILE . 16451 1 7 . ARG . 16451 1 8 . ASP . 16451 1 9 . VAL . 16451 1 10 . ASP . 16451 1 11 . VAL . 16451 1 12 . ARG . 16451 1 13 . GLY . 16451 1 14 . LYS . 16451 1 15 . ARG . 16451 1 16 . VAL . 16451 1 17 . PHE . 16451 1 18 . CYS . 16451 1 19 . ARG . 16451 1 20 . VAL . 16451 1 21 . ASP . 16451 1 22 . PHE . 16451 1 23 . ASN . 16451 1 24 . VAL . 16451 1 25 . PRO . 16451 1 26 . MET . 16451 1 27 . GLU . 16451 1 28 . GLN . 16451 1 29 . GLY . 16451 1 30 . ALA . 16451 1 31 . ILE . 16451 1 32 . THR . 16451 1 33 . ASP . 16451 1 34 . ASP . 16451 1 35 . THR . 16451 1 36 . ARG . 16451 1 37 . ILE . 16451 1 38 . ARG . 16451 1 39 . ALA . 16451 1 40 . ALA . 16451 1 41 . LEU . 16451 1 42 . PRO . 16451 1 43 . THR . 16451 1 44 . ILE . 16451 1 45 . ARG . 16451 1 46 . TYR . 16451 1 47 . LEU . 16451 1 48 . ILE . 16451 1 49 . GLU . 16451 1 50 . HIS . 16451 1 51 . GLY . 16451 1 52 . ALA . 16451 1 53 . LYS . 16451 1 54 . VAL . 16451 1 55 . ILE . 16451 1 56 . LEU . 16451 1 57 . ALA . 16451 1 58 . SER . 16451 1 59 . HIS . 16451 1 60 . LEU . 16451 1 61 . GLY . 16451 1 62 . ARG . 16451 1 63 . PRO . 16451 1 64 . LYS . 16451 1 65 . GLY . 16451 1 66 . LYS . 16451 1 67 . VAL . 16451 1 68 . VAL . 16451 1 69 . GLU . 16451 1 70 . GLU . 16451 1 71 . LEU . 16451 1 72 . ARG . 16451 1 73 . LEU . 16451 1 74 . ASP . 16451 1 75 . ALA . 16451 1 76 . VAL . 16451 1 77 . ALA . 16451 1 78 . LYS . 16451 1 79 . ARG . 16451 1 80 . LEU . 16451 1 81 . GLY . 16451 1 82 . GLU . 16451 1 83 . LEU . 16451 1 84 . LEU . 16451 1 85 . GLU . 16451 1 86 . ARG . 16451 1 87 . PRO . 16451 1 88 . VAL . 16451 1 89 . ALA . 16451 1 90 . LYS . 16451 1 91 . THR . 16451 1 92 . ASN . 16451 1 93 . GLU . 16451 1 94 . ALA . 16451 1 95 . VAL . 16451 1 96 . GLY . 16451 1 97 . ASP . 16451 1 98 . GLU . 16451 1 99 . VAL . 16451 1 100 . LYS . 16451 1 101 . ALA . 16451 1 102 . ALA . 16451 1 103 . VAL . 16451 1 104 . ASP . 16451 1 105 . ARG . 16451 1 106 . LEU . 16451 1 107 . ASN . 16451 1 108 . GLU . 16451 1 109 . GLY . 16451 1 110 . ASP . 16451 1 111 . VAL . 16451 1 112 . LEU . 16451 1 113 . LEU . 16451 1 114 . LEU . 16451 1 115 . GLU . 16451 1 116 . ASN . 16451 1 117 . VAL . 16451 1 118 . ARG . 16451 1 119 . PHE . 16451 1 120 . TYR . 16451 1 121 . PRO . 16451 1 122 . GLY . 16451 1 123 . GLU . 16451 1 124 . GLU . 16451 1 125 . LYS . 16451 1 126 . ASN . 16451 1 127 . ASP . 16451 1 128 . PRO . 16451 1 129 . GLU . 16451 1 130 . LEU . 16451 1 131 . ALA . 16451 1 132 . LYS . 16451 1 133 . ALA . 16451 1 134 . PHE . 16451 1 135 . ALA . 16451 1 136 . GLU . 16451 1 137 . LEU . 16451 1 138 . ALA . 16451 1 139 . ASP . 16451 1 140 . LEU . 16451 1 141 . TYR . 16451 1 142 . VAL . 16451 1 143 . ASN . 16451 1 144 . ASP . 16451 1 145 . ALA . 16451 1 146 . PHE . 16451 1 147 . GLY . 16451 1 148 . ALA . 16451 1 149 . ALA . 16451 1 150 . HIS . 16451 1 151 . ARG . 16451 1 152 . ALA . 16451 1 153 . HIS . 16451 1 154 . ALA . 16451 1 155 . SER . 16451 1 156 . THR . 16451 1 157 . GLU . 16451 1 158 . GLY . 16451 1 159 . ILE . 16451 1 160 . ALA . 16451 1 161 . HIS . 16451 1 162 . TYR . 16451 1 163 . LEU . 16451 1 164 . PRO . 16451 1 165 . ALA . 16451 1 166 . VAL . 16451 1 167 . ALA . 16451 1 168 . GLY . 16451 1 169 . PHE . 16451 1 170 . LEU . 16451 1 171 . MET . 16451 1 172 . GLU . 16451 1 173 . LYS . 16451 1 174 . GLU . 16451 1 175 . LEU . 16451 1 176 . GLU . 16451 1 177 . VAL . 16451 1 178 . LEU . 16451 1 179 . GLY . 16451 1 180 . LYS . 16451 1 181 . ALA . 16451 1 182 . LEU . 16451 1 183 . SER . 16451 1 184 . ASN . 16451 1 185 . PRO . 16451 1 186 . ASP . 16451 1 187 . ARG . 16451 1 188 . PRO . 16451 1 189 . PHE . 16451 1 190 . THR . 16451 1 191 . ALA . 16451 1 192 . ILE . 16451 1 193 . ILE . 16451 1 194 . GLY . 16451 1 195 . GLY . 16451 1 196 . ALA . 16451 1 197 . LYS . 16451 1 198 . VAL . 16451 1 199 . LYS . 16451 1 200 . ASP . 16451 1 201 . LYS . 16451 1 202 . ILE . 16451 1 203 . GLY . 16451 1 204 . VAL . 16451 1 205 . ILE . 16451 1 206 . ASP . 16451 1 207 . ASN . 16451 1 208 . LEU . 16451 1 209 . LEU . 16451 1 210 . GLU . 16451 1 211 . LYS . 16451 1 212 . VAL . 16451 1 213 . ASP . 16451 1 214 . ASN . 16451 1 215 . LEU . 16451 1 216 . ILE . 16451 1 217 . ILE . 16451 1 218 . GLY . 16451 1 219 . GLY . 16451 1 220 . GLY . 16451 1 221 . LEU . 16451 1 222 . ALA . 16451 1 223 . TYR . 16451 1 224 . THR . 16451 1 225 . PHE . 16451 1 226 . VAL . 16451 1 227 . LYS . 16451 1 228 . ALA . 16451 1 229 . LEU . 16451 1 230 . GLY . 16451 1 231 . HIS . 16451 1 232 . ASP . 16451 1 233 . VAL . 16451 1 234 . GLY . 16451 1 235 . LYS . 16451 1 236 . SER . 16451 1 237 . LEU . 16451 1 238 . LEU . 16451 1 239 . GLU . 16451 1 240 . GLU . 16451 1 241 . ASP . 16451 1 242 . LYS . 16451 1 243 . ILE . 16451 1 244 . GLU . 16451 1 245 . LEU . 16451 1 246 . ALA . 16451 1 247 . LYS . 16451 1 248 . SER . 16451 1 249 . PHE . 16451 1 250 . MET . 16451 1 251 . GLU . 16451 1 252 . LYS . 16451 1 253 . ALA . 16451 1 254 . LYS . 16451 1 255 . GLU . 16451 1 256 . LYS . 16451 1 257 . GLY . 16451 1 258 . VAL . 16451 1 259 . ARG . 16451 1 260 . PHE . 16451 1 261 . TYR . 16451 1 262 . MET . 16451 1 263 . PRO . 16451 1 264 . VAL . 16451 1 265 . ASP . 16451 1 266 . VAL . 16451 1 267 . VAL . 16451 1 268 . VAL . 16451 1 269 . ALA . 16451 1 270 . ASP . 16451 1 271 . ARG . 16451 1 272 . PHE . 16451 1 273 . ALA . 16451 1 274 . ASN . 16451 1 275 . ASP . 16451 1 276 . ALA . 16451 1 277 . ASN . 16451 1 278 . THR . 16451 1 279 . LYS . 16451 1 280 . VAL . 16451 1 281 . VAL . 16451 1 282 . PRO . 16451 1 283 . ILE . 16451 1 284 . ASP . 16451 1 285 . ALA . 16451 1 286 . ILE . 16451 1 287 . PRO . 16451 1 288 . ALA . 16451 1 289 . ASP . 16451 1 290 . TYR . 16451 1 291 . SER . 16451 1 292 . ALA . 16451 1 293 . LEU . 16451 1 294 . ASP . 16451 1 295 . ILE . 16451 1 296 . GLY . 16451 1 297 . PRO . 16451 1 298 . LYS . 16451 1 299 . THR . 16451 1 300 . ARG . 16451 1 301 . GLU . 16451 1 302 . LEU . 16451 1 303 . TYR . 16451 1 304 . ARG . 16451 1 305 . ASP . 16451 1 306 . VAL . 16451 1 307 . ILE . 16451 1 308 . ARG . 16451 1 309 . GLU . 16451 1 310 . SER . 16451 1 311 . LYS . 16451 1 312 . LEU . 16451 1 313 . VAL . 16451 1 314 . VAL . 16451 1 315 . TRP . 16451 1 316 . ASN . 16451 1 317 . GLY . 16451 1 318 . PRO . 16451 1 319 . MET . 16451 1 320 . GLY . 16451 1 321 . VAL . 16451 1 322 . PHE . 16451 1 323 . GLU . 16451 1 324 . MET . 16451 1 325 . ASP . 16451 1 326 . ALA . 16451 1 327 . PHE . 16451 1 328 . ALA . 16451 1 329 . HIS . 16451 1 330 . GLY . 16451 1 331 . THR . 16451 1 332 . LYS . 16451 1 333 . ALA . 16451 1 334 . ILE . 16451 1 335 . ALA . 16451 1 336 . GLU . 16451 1 337 . ALA . 16451 1 338 . LEU . 16451 1 339 . ALA . 16451 1 340 . GLU . 16451 1 341 . ALA . 16451 1 342 . LEU . 16451 1 343 . ASP . 16451 1 344 . THR . 16451 1 345 . TYR . 16451 1 346 . SER . 16451 1 347 . VAL . 16451 1 348 . ILE . 16451 1 349 . GLY . 16451 1 350 . GLY . 16451 1 351 . GLY . 16451 1 352 . ASP . 16451 1 353 . SER . 16451 1 354 . ALA . 16451 1 355 . ALA . 16451 1 356 . ALA . 16451 1 357 . VAL . 16451 1 358 . GLU . 16451 1 359 . LYS . 16451 1 360 . PHE . 16451 1 361 . GLY . 16451 1 362 . LEU . 16451 1 363 . ALA . 16451 1 364 . ASP . 16451 1 365 . LYS . 16451 1 366 . MET . 16451 1 367 . ASP . 16451 1 368 . HIS . 16451 1 369 . ILE . 16451 1 370 . SER . 16451 1 371 . THR . 16451 1 372 . GLY . 16451 1 373 . GLY . 16451 1 374 . GLY . 16451 1 375 . ALA . 16451 1 376 . SER . 16451 1 377 . LEU . 16451 1 378 . GLU . 16451 1 379 . PHE . 16451 1 380 . MET . 16451 1 381 . GLU . 16451 1 382 . GLY . 16451 1 383 . LYS . 16451 1 384 . GLN . 16451 1 385 . LEU . 16451 1 386 . PRO . 16451 1 387 . GLY . 16451 1 388 . VAL . 16451 1 389 . VAL . 16451 1 390 . ALA . 16451 1 391 . LEU . 16451 1 392 . GLU . 16451 1 393 . ASP . 16451 1 394 . LYS . 16451 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 16451 1 . ASN 2 2 16451 1 . LYS 3 3 16451 1 . LYS 4 4 16451 1 . THR 5 5 16451 1 . ILE 6 6 16451 1 . ARG 7 7 16451 1 . ASP 8 8 16451 1 . VAL 9 9 16451 1 . ASP 10 10 16451 1 . VAL 11 11 16451 1 . ARG 12 12 16451 1 . GLY 13 13 16451 1 . LYS 14 14 16451 1 . ARG 15 15 16451 1 . VAL 16 16 16451 1 . PHE 17 17 16451 1 . CYS 18 18 16451 1 . ARG 19 19 16451 1 . VAL 20 20 16451 1 . ASP 21 21 16451 1 . PHE 22 22 16451 1 . ASN 23 23 16451 1 . VAL 24 24 16451 1 . PRO 25 25 16451 1 . MET 26 26 16451 1 . GLU 27 27 16451 1 . GLN 28 28 16451 1 . GLY 29 29 16451 1 . ALA 30 30 16451 1 . ILE 31 31 16451 1 . THR 32 32 16451 1 . ASP 33 33 16451 1 . ASP 34 34 16451 1 . THR 35 35 16451 1 . ARG 36 36 16451 1 . ILE 37 37 16451 1 . ARG 38 38 16451 1 . ALA 39 39 16451 1 . ALA 40 40 16451 1 . LEU 41 41 16451 1 . PRO 42 42 16451 1 . THR 43 43 16451 1 . ILE 44 44 16451 1 . ARG 45 45 16451 1 . TYR 46 46 16451 1 . LEU 47 47 16451 1 . ILE 48 48 16451 1 . GLU 49 49 16451 1 . HIS 50 50 16451 1 . GLY 51 51 16451 1 . ALA 52 52 16451 1 . LYS 53 53 16451 1 . VAL 54 54 16451 1 . ILE 55 55 16451 1 . LEU 56 56 16451 1 . ALA 57 57 16451 1 . SER 58 58 16451 1 . HIS 59 59 16451 1 . LEU 60 60 16451 1 . GLY 61 61 16451 1 . ARG 62 62 16451 1 . PRO 63 63 16451 1 . LYS 64 64 16451 1 . GLY 65 65 16451 1 . LYS 66 66 16451 1 . VAL 67 67 16451 1 . VAL 68 68 16451 1 . GLU 69 69 16451 1 . GLU 70 70 16451 1 . LEU 71 71 16451 1 . ARG 72 72 16451 1 . LEU 73 73 16451 1 . ASP 74 74 16451 1 . ALA 75 75 16451 1 . VAL 76 76 16451 1 . ALA 77 77 16451 1 . LYS 78 78 16451 1 . ARG 79 79 16451 1 . LEU 80 80 16451 1 . GLY 81 81 16451 1 . GLU 82 82 16451 1 . LEU 83 83 16451 1 . LEU 84 84 16451 1 . GLU 85 85 16451 1 . ARG 86 86 16451 1 . PRO 87 87 16451 1 . VAL 88 88 16451 1 . ALA 89 89 16451 1 . LYS 90 90 16451 1 . THR 91 91 16451 1 . ASN 92 92 16451 1 . GLU 93 93 16451 1 . ALA 94 94 16451 1 . VAL 95 95 16451 1 . GLY 96 96 16451 1 . ASP 97 97 16451 1 . GLU 98 98 16451 1 . VAL 99 99 16451 1 . LYS 100 100 16451 1 . ALA 101 101 16451 1 . ALA 102 102 16451 1 . VAL 103 103 16451 1 . ASP 104 104 16451 1 . ARG 105 105 16451 1 . LEU 106 106 16451 1 . ASN 107 107 16451 1 . GLU 108 108 16451 1 . GLY 109 109 16451 1 . ASP 110 110 16451 1 . VAL 111 111 16451 1 . LEU 112 112 16451 1 . LEU 113 113 16451 1 . LEU 114 114 16451 1 . GLU 115 115 16451 1 . ASN 116 116 16451 1 . VAL 117 117 16451 1 . ARG 118 118 16451 1 . PHE 119 119 16451 1 . TYR 120 120 16451 1 . PRO 121 121 16451 1 . GLY 122 122 16451 1 . GLU 123 123 16451 1 . GLU 124 124 16451 1 . LYS 125 125 16451 1 . ASN 126 126 16451 1 . ASP 127 127 16451 1 . PRO 128 128 16451 1 . GLU 129 129 16451 1 . LEU 130 130 16451 1 . ALA 131 131 16451 1 . LYS 132 132 16451 1 . ALA 133 133 16451 1 . PHE 134 134 16451 1 . ALA 135 135 16451 1 . GLU 136 136 16451 1 . LEU 137 137 16451 1 . ALA 138 138 16451 1 . ASP 139 139 16451 1 . LEU 140 140 16451 1 . TYR 141 141 16451 1 . VAL 142 142 16451 1 . ASN 143 143 16451 1 . ASP 144 144 16451 1 . ALA 145 145 16451 1 . PHE 146 146 16451 1 . GLY 147 147 16451 1 . ALA 148 148 16451 1 . ALA 149 149 16451 1 . HIS 150 150 16451 1 . ARG 151 151 16451 1 . ALA 152 152 16451 1 . HIS 153 153 16451 1 . ALA 154 154 16451 1 . SER 155 155 16451 1 . THR 156 156 16451 1 . GLU 157 157 16451 1 . GLY 158 158 16451 1 . ILE 159 159 16451 1 . ALA 160 160 16451 1 . HIS 161 161 16451 1 . TYR 162 162 16451 1 . LEU 163 163 16451 1 . PRO 164 164 16451 1 . ALA 165 165 16451 1 . VAL 166 166 16451 1 . ALA 167 167 16451 1 . GLY 168 168 16451 1 . PHE 169 169 16451 1 . LEU 170 170 16451 1 . MET 171 171 16451 1 . GLU 172 172 16451 1 . LYS 173 173 16451 1 . GLU 174 174 16451 1 . LEU 175 175 16451 1 . GLU 176 176 16451 1 . VAL 177 177 16451 1 . LEU 178 178 16451 1 . GLY 179 179 16451 1 . LYS 180 180 16451 1 . ALA 181 181 16451 1 . LEU 182 182 16451 1 . SER 183 183 16451 1 . ASN 184 184 16451 1 . PRO 185 185 16451 1 . ASP 186 186 16451 1 . ARG 187 187 16451 1 . PRO 188 188 16451 1 . PHE 189 189 16451 1 . THR 190 190 16451 1 . ALA 191 191 16451 1 . ILE 192 192 16451 1 . ILE 193 193 16451 1 . GLY 194 194 16451 1 . GLY 195 195 16451 1 . ALA 196 196 16451 1 . LYS 197 197 16451 1 . VAL 198 198 16451 1 . LYS 199 199 16451 1 . ASP 200 200 16451 1 . LYS 201 201 16451 1 . ILE 202 202 16451 1 . GLY 203 203 16451 1 . VAL 204 204 16451 1 . ILE 205 205 16451 1 . ASP 206 206 16451 1 . ASN 207 207 16451 1 . LEU 208 208 16451 1 . LEU 209 209 16451 1 . GLU 210 210 16451 1 . LYS 211 211 16451 1 . VAL 212 212 16451 1 . ASP 213 213 16451 1 . ASN 214 214 16451 1 . LEU 215 215 16451 1 . ILE 216 216 16451 1 . ILE 217 217 16451 1 . GLY 218 218 16451 1 . GLY 219 219 16451 1 . GLY 220 220 16451 1 . LEU 221 221 16451 1 . ALA 222 222 16451 1 . TYR 223 223 16451 1 . THR 224 224 16451 1 . PHE 225 225 16451 1 . VAL 226 226 16451 1 . LYS 227 227 16451 1 . ALA 228 228 16451 1 . LEU 229 229 16451 1 . GLY 230 230 16451 1 . HIS 231 231 16451 1 . ASP 232 232 16451 1 . VAL 233 233 16451 1 . GLY 234 234 16451 1 . LYS 235 235 16451 1 . SER 236 236 16451 1 . LEU 237 237 16451 1 . LEU 238 238 16451 1 . GLU 239 239 16451 1 . GLU 240 240 16451 1 . ASP 241 241 16451 1 . LYS 242 242 16451 1 . ILE 243 243 16451 1 . GLU 244 244 16451 1 . LEU 245 245 16451 1 . ALA 246 246 16451 1 . LYS 247 247 16451 1 . SER 248 248 16451 1 . PHE 249 249 16451 1 . MET 250 250 16451 1 . GLU 251 251 16451 1 . LYS 252 252 16451 1 . ALA 253 253 16451 1 . LYS 254 254 16451 1 . GLU 255 255 16451 1 . LYS 256 256 16451 1 . GLY 257 257 16451 1 . VAL 258 258 16451 1 . ARG 259 259 16451 1 . PHE 260 260 16451 1 . TYR 261 261 16451 1 . MET 262 262 16451 1 . PRO 263 263 16451 1 . VAL 264 264 16451 1 . ASP 265 265 16451 1 . VAL 266 266 16451 1 . VAL 267 267 16451 1 . VAL 268 268 16451 1 . ALA 269 269 16451 1 . ASP 270 270 16451 1 . ARG 271 271 16451 1 . PHE 272 272 16451 1 . ALA 273 273 16451 1 . ASN 274 274 16451 1 . ASP 275 275 16451 1 . ALA 276 276 16451 1 . ASN 277 277 16451 1 . THR 278 278 16451 1 . LYS 279 279 16451 1 . VAL 280 280 16451 1 . VAL 281 281 16451 1 . PRO 282 282 16451 1 . ILE 283 283 16451 1 . ASP 284 284 16451 1 . ALA 285 285 16451 1 . ILE 286 286 16451 1 . PRO 287 287 16451 1 . ALA 288 288 16451 1 . ASP 289 289 16451 1 . TYR 290 290 16451 1 . SER 291 291 16451 1 . ALA 292 292 16451 1 . LEU 293 293 16451 1 . ASP 294 294 16451 1 . ILE 295 295 16451 1 . GLY 296 296 16451 1 . PRO 297 297 16451 1 . LYS 298 298 16451 1 . THR 299 299 16451 1 . ARG 300 300 16451 1 . GLU 301 301 16451 1 . LEU 302 302 16451 1 . TYR 303 303 16451 1 . ARG 304 304 16451 1 . ASP 305 305 16451 1 . VAL 306 306 16451 1 . ILE 307 307 16451 1 . ARG 308 308 16451 1 . GLU 309 309 16451 1 . SER 310 310 16451 1 . LYS 311 311 16451 1 . LEU 312 312 16451 1 . VAL 313 313 16451 1 . VAL 314 314 16451 1 . TRP 315 315 16451 1 . ASN 316 316 16451 1 . GLY 317 317 16451 1 . PRO 318 318 16451 1 . MET 319 319 16451 1 . GLY 320 320 16451 1 . VAL 321 321 16451 1 . PHE 322 322 16451 1 . GLU 323 323 16451 1 . MET 324 324 16451 1 . ASP 325 325 16451 1 . ALA 326 326 16451 1 . PHE 327 327 16451 1 . ALA 328 328 16451 1 . HIS 329 329 16451 1 . GLY 330 330 16451 1 . THR 331 331 16451 1 . LYS 332 332 16451 1 . ALA 333 333 16451 1 . ILE 334 334 16451 1 . ALA 335 335 16451 1 . GLU 336 336 16451 1 . ALA 337 337 16451 1 . LEU 338 338 16451 1 . ALA 339 339 16451 1 . GLU 340 340 16451 1 . ALA 341 341 16451 1 . LEU 342 342 16451 1 . ASP 343 343 16451 1 . THR 344 344 16451 1 . TYR 345 345 16451 1 . SER 346 346 16451 1 . VAL 347 347 16451 1 . ILE 348 348 16451 1 . GLY 349 349 16451 1 . GLY 350 350 16451 1 . GLY 351 351 16451 1 . ASP 352 352 16451 1 . SER 353 353 16451 1 . ALA 354 354 16451 1 . ALA 355 355 16451 1 . ALA 356 356 16451 1 . VAL 357 357 16451 1 . GLU 358 358 16451 1 . LYS 359 359 16451 1 . PHE 360 360 16451 1 . GLY 361 361 16451 1 . LEU 362 362 16451 1 . ALA 363 363 16451 1 . ASP 364 364 16451 1 . LYS 365 365 16451 1 . MET 366 366 16451 1 . ASP 367 367 16451 1 . HIS 368 368 16451 1 . ILE 369 369 16451 1 . SER 370 370 16451 1 . THR 371 371 16451 1 . GLY 372 372 16451 1 . GLY 373 373 16451 1 . GLY 374 374 16451 1 . ALA 375 375 16451 1 . SER 376 376 16451 1 . LEU 377 377 16451 1 . GLU 378 378 16451 1 . PHE 379 379 16451 1 . MET 380 380 16451 1 . GLU 381 381 16451 1 . GLY 382 382 16451 1 . LYS 383 383 16451 1 . GLN 384 384 16451 1 . LEU 385 385 16451 1 . PRO 386 386 16451 1 . GLY 387 387 16451 1 . VAL 388 388 16451 1 . VAL 389 389 16451 1 . ALA 390 390 16451 1 . LEU 391 391 16451 1 . GLU 392 392 16451 1 . ASP 393 393 16451 1 . LYS 394 394 16451 1 stop_ save_ save_ADP _Entity.Sf_category entity _Entity.Sf_framecode ADP _Entity.Entry_ID 16451 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ADP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ADP _Entity.Nonpolymer_comp_label $chem_comp_ADP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ADP . 16451 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 16451 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 16451 3 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 16451 _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 $PGK . 1422 organism . 'Geobacillus stearothermophilus' 'Geobacillus stearothermophilus' . . Bacteria . Geobacillus stearothermophilus . . . . . . . . . . . . . . . . . . . . . 16451 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 16451 _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 $PGK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pKK223-3 . . . . . . 16451 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ADP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ADP _Chem_comp.Entry_ID 16451 _Chem_comp.ID ADP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-DIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ADP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ADP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H15 N5 O10 P2' _Chem_comp.Formula_weight 427.201 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1PHP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 12:50:05 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 16451 ADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16451 ADP InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21H,11H2 InChI InChI 1.02b 16451 ADP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 16451 ADP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 16451 ADP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 16451 ADP XTWYTFMLZFPYCI-PMDNFNIXDW InChIKey InChI 1.02b 16451 ADP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16451 ADP 'adenosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 16451 ADP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PB . PB . . P . . N 0 . . . . no no . . . . 44.669 . 2.928 . 38.556 . 1.162 -0.221 -5.685 1 . 16451 ADP O1B . O1B . . O . . N 0 . . . . no no . . . . 46.021 . 3.508 . 38.317 . 1.725 1.133 -5.492 2 . 16451 ADP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.709 . 3.812 . 37.905 . 2.190 -1.112 -6.546 3 . 16451 ADP O3B . O3B . . O . . N 0 . . . . no no . . . . 44.459 . 1.449 . 38.382 . -0.240 -0.113 -6.467 4 . 16451 ADP PA . PA . . P . . S 0 . . . . no no . . . . 43.230 . 2.955 . 41.110 . -0.105 0.025 -3.446 5 . 16451 ADP O1A . O1A . . O . . N 0 . . . . no no . . . . 41.975 . 3.497 . 40.573 . 0.476 1.376 -3.288 6 . 16451 ADP O2A . O2A . . O . . N 0 . . . . no no . . . . 42.962 . 1.501 . 41.401 . -1.487 0.129 -4.266 7 . 16451 ADP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.522 . 3.210 . 40.212 . 0.925 -0.913 -4.250 8 . 16451 ADP O5' . O5' . . O . . N 0 . . . . no no . . . . 43.462 . 3.832 . 42.407 . -0.389 -0.609 -1.994 9 . 16451 ADP C5' . C5' . . C . . N 0 . . . . no no . . . . 43.735 . 5.246 . 42.335 . -1.307 0.264 -1.333 10 . 16451 ADP C4' . C4' . . C . . R 0 . . . . no no . . . . 43.095 . 5.810 . 43.626 . -1.620 -0.284 0.059 11 . 16451 ADP O4' . O4' . . O . . N 0 . . . . no no . . . . 43.764 . 5.261 . 44.779 . -0.417 -0.348 0.857 12 . 16451 ADP C3' . C3' . . C . . S 0 . . . . no no . . . . 43.337 . 7.325 . 43.617 . -2.550 0.683 0.825 13 . 16451 ADP O3' . O3' . . O . . N 0 . . . . no no . . . . 42.056 . 7.988 . 43.560 . -3.907 0.245 0.739 14 . 16451 ADP C2' . C2' . . C . . R 0 . . . . no no . . . . 43.946 . 7.593 . 45.083 . -2.047 0.611 2.286 15 . 16451 ADP O2' . O2' . . O . . N 0 . . . . no no . . . . 43.554 . 8.726 . 45.877 . -3.080 0.129 3.148 16 . 16451 ADP C1' . C1' . . C . . R 0 . . . . no no . . . . 43.613 . 6.275 . 45.813 . -0.871 -0.388 2.227 17 . 16451 ADP N9 . N9 . . N . . N 0 . . . . yes no . . . . 44.375 . 5.781 . 46.991 . 0.201 0.031 3.132 18 . 16451 ADP C8 . C8 . . C . . N 0 . . . . yes no . . . . 45.711 . 5.486 . 47.062 . 1.231 0.870 2.827 19 . 16451 ADP N7 . N7 . . N . . N 0 . . . . yes no . . . . 46.202 . 5.379 . 48.282 . 2.000 1.027 3.865 20 . 16451 ADP C5 . C5 . . C . . N 0 . . . . yes no . . . . 45.067 . 5.597 . 49.064 . 1.509 0.305 4.902 21 . 16451 ADP C6 . C6 . . C . . N 0 . . . . yes no . . . . 44.883 . 5.623 . 50.499 . 1.910 0.087 6.231 22 . 16451 ADP N6 . N6 . . N . . N 0 . . . . no no . . . . 45.912 . 5.433 . 51.325 . 3.044 0.697 6.738 23 . 16451 ADP N1 . N1 . . N . . N 0 . . . . yes no . . . . 43.626 . 5.852 . 50.896 . 1.171 -0.714 6.991 24 . 16451 ADP C2 . C2 . . C . . N 0 . . . . yes no . . . . 42.590 . 6.076 . 50.067 . 0.088 -1.300 6.516 25 . 16451 ADP N3 . N3 . . N . . N 0 . . . . yes no . . . . 42.675 . 6.067 . 48.735 . -0.321 -1.130 5.277 26 . 16451 ADP C4 . C4 . . C . . N 0 . . . . yes no . . . . 43.951 . 5.821 . 48.304 . 0.353 -0.346 4.442 27 . 16451 ADP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 42.847 . 3.442 . 38.057 . 2.304 -0.664 -7.396 28 . 16451 ADP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 43.597 . 1.079 . 38.534 . -0.572 -1.016 -6.571 29 . 16451 ADP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.773 . 1.150 . 41.748 . -1.833 -0.770 -4.346 30 . 16451 ADP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 44.812 . 5.500 . 42.206 . -2.227 0.330 -1.913 31 . 16451 ADP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 43.385 . 5.735 . 41.396 . -0.862 1.255 -1.242 32 . 16451 ADP H4' . H4' . . H . . N 0 . . . . no no . . . . 42.010 . 5.556 . 43.668 . -2.078 -1.270 -0.015 33 . 16451 ADP H3' . H3' . . H . . N 0 . . . . no no . . . . 43.978 . 7.672 . 42.773 . -2.451 1.696 0.435 34 . 16451 ADP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 42.205 . 8.926 . 43.554 . -4.439 0.884 1.233 35 . 16451 ADP H2' . H2' . . H . . N 0 . . . . no no . . . . 45.014 . 7.879 . 44.941 . -1.699 1.589 2.618 36 . 16451 ADP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 43.913 . 8.884 . 46.742 . -3.807 0.764 3.094 37 . 16451 ADP H1' . H1' . . H . . N 0 . . . . no no . . . . 42.621 . 6.482 . 46.279 . -1.212 -1.391 2.485 38 . 16451 ADP H8 . H8 . . H . . N 0 . . . . no no . . . . 46.358 . 5.341 . 46.181 . 1.387 1.335 1.865 39 . 16451 ADP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 45.782 . 5.451 . 52.336 . 3.308 0.542 7.658 40 . 16451 ADP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 46.639 . 6.107 . 51.086 . 3.577 1.277 6.172 41 . 16451 ADP H2 . H2 . . H . . N 0 . . . . no no . . . . 41.601 . 6.281 . 50.510 . -0.482 -1.944 7.169 42 . 16451 ADP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PB O1B no N 1 . 16451 ADP 2 . SING PB O2B no N 2 . 16451 ADP 3 . SING PB O3B no N 3 . 16451 ADP 4 . SING PB O3A no N 4 . 16451 ADP 5 . SING O2B HOB2 no N 5 . 16451 ADP 6 . SING O3B HOB3 no N 6 . 16451 ADP 7 . DOUB PA O1A no N 7 . 16451 ADP 8 . SING PA O2A no N 8 . 16451 ADP 9 . SING PA O3A no N 9 . 16451 ADP 10 . SING PA O5' no N 10 . 16451 ADP 11 . SING O2A HOA2 no N 11 . 16451 ADP 12 . SING O5' C5' no N 12 . 16451 ADP 13 . SING C5' C4' no N 13 . 16451 ADP 14 . SING C5' H5'1 no N 14 . 16451 ADP 15 . SING C5' H5'2 no N 15 . 16451 ADP 16 . SING C4' O4' no N 16 . 16451 ADP 17 . SING C4' C3' no N 17 . 16451 ADP 18 . SING C4' H4' no N 18 . 16451 ADP 19 . SING O4' C1' no N 19 . 16451 ADP 20 . SING C3' O3' no N 20 . 16451 ADP 21 . SING C3' C2' no N 21 . 16451 ADP 22 . SING C3' H3' no N 22 . 16451 ADP 23 . SING O3' HO3' no N 23 . 16451 ADP 24 . SING C2' O2' no N 24 . 16451 ADP 25 . SING C2' C1' no N 25 . 16451 ADP 26 . SING C2' H2' no N 26 . 16451 ADP 27 . SING O2' HO2' no N 27 . 16451 ADP 28 . SING C1' N9 no N 28 . 16451 ADP 29 . SING C1' H1' no N 29 . 16451 ADP 30 . SING N9 C8 yes N 30 . 16451 ADP 31 . SING N9 C4 yes N 31 . 16451 ADP 32 . DOUB C8 N7 yes N 32 . 16451 ADP 33 . SING C8 H8 no N 33 . 16451 ADP 34 . SING N7 C5 yes N 34 . 16451 ADP 35 . SING C5 C6 yes N 35 . 16451 ADP 36 . DOUB C5 C4 yes N 36 . 16451 ADP 37 . SING C6 N6 no N 37 . 16451 ADP 38 . DOUB C6 N1 yes N 38 . 16451 ADP 39 . SING N6 HN61 no N 39 . 16451 ADP 40 . SING N6 HN62 no N 40 . 16451 ADP 41 . SING N1 C2 yes N 41 . 16451 ADP 42 . DOUB C2 N3 yes N 42 . 16451 ADP 43 . SING C2 H2 no N 43 . 16451 ADP 44 . SING N3 C4 yes N 44 . 16451 ADP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 16451 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:08:25 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Mg/q+2 InChI InChI 1.02b 16451 MG JLVVSXFLKOJNIY-UHFFFAOYAC InChIKey InChI 1.02b 16451 MG [Mg++] SMILES CACTVS 3.341 16451 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 16451 MG [Mg+2] SMILES ACDLabs 10.04 16451 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 16451 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16451 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 16451 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16451 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16451 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PGK '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PGK . . 1 . . mM . . . . 16451 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16451 1 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16451 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16451 1 5 ADP 'natural abundance' . . 2 $ADP . . 10 . . mM . . . . 16451 1 6 'magnesium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16451 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16451 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16451 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 16451 _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' 0.05 . M 16451 1 pH 7.5 . pH 16451 1 pressure 1 . atm 16451 1 temperature 310 . K 16451 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16451 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'all tasks' 16451 1 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 16451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16451 _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 Bruker DRX . 600 . . . 16451 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 16451 _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 '3D TROSY ct-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16451 1 2 ct-HN(CO)CA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16451 1 3 HN(CA)CB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16451 1 4 HN(COCA)CB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16451 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16451 _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 TSP protons . . . . ppm 0 internal indirect 0.25144953 . . . . . . . . . 16451 1 H 1 TSP protons . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16451 1 N 15 TSP protons . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16451 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 16451 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D TROSY ct-HNCA' . . . 16451 1 2 ct-HN(CO)CA . . . 16451 1 3 HN(CA)CB . . . 16451 1 4 HN(COCA)CB . . . 16451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.050 0.005 . 1 . . . . 3 LYS HN . 16451 1 2 . 1 1 3 3 LYS CA C 13 52.740 0.05 . 1 . . . . 3 LYS CA . 16451 1 3 . 1 1 3 3 LYS CB C 13 32.610 0.05 . 1 . . . . 3 LYS CB . 16451 1 4 . 1 1 3 3 LYS N N 15 120.050 0.05 . 1 . . . . 3 LYS N . 16451 1 5 . 1 1 4 4 LYS H H 1 8.630 0.005 . 1 . . . . 4 LYS HN . 16451 1 6 . 1 1 4 4 LYS CA C 13 57.480 0.05 . 1 . . . . 4 LYS CA . 16451 1 7 . 1 1 4 4 LYS CB C 13 35.000 0.05 . 1 . . . . 4 LYS CB . 16451 1 8 . 1 1 4 4 LYS N N 15 121.510 0.05 . 1 . . . . 4 LYS N . 16451 1 9 . 1 1 5 5 THR H H 1 9.380 0.005 . 1 . . . . 5 THR HN . 16451 1 10 . 1 1 5 5 THR CA C 13 59.830 0.05 . 1 . . . . 5 THR CA . 16451 1 11 . 1 1 5 5 THR CB C 13 74.280 0.05 . 1 . . . . 5 THR CB . 16451 1 12 . 1 1 5 5 THR N N 15 112.120 0.05 . 1 . . . . 5 THR N . 16451 1 13 . 1 1 6 6 ILE H H 1 7.080 0.005 . 1 . . . . 6 ILE HN . 16451 1 14 . 1 1 6 6 ILE CA C 13 63.320 0.05 . 1 . . . . 6 ILE CA . 16451 1 15 . 1 1 6 6 ILE CB C 13 36.740 0.05 . 1 . . . . 6 ILE CB . 16451 1 16 . 1 1 6 6 ILE N N 15 112.260 0.05 . 1 . . . . 6 ILE N . 16451 1 17 . 1 1 7 7 ARG H H 1 7.510 0.005 . 1 . . . . 7 ARG HN . 16451 1 18 . 1 1 7 7 ARG CA C 13 57.050 0.05 . 1 . . . . 7 ARG CA . 16451 1 19 . 1 1 7 7 ARG CB C 13 29.890 0.05 . 1 . . . . 7 ARG CB . 16451 1 20 . 1 1 7 7 ARG N N 15 115.480 0.05 . 1 . . . . 7 ARG N . 16451 1 21 . 1 1 8 8 ASP H H 1 7.860 0.005 . 1 . . . . 8 ASP HN . 16451 1 22 . 1 1 8 8 ASP CA C 13 55.060 0.05 . 1 . . . . 8 ASP CA . 16451 1 23 . 1 1 8 8 ASP CB C 13 42.640 0.05 . 1 . . . . 8 ASP CB . 16451 1 24 . 1 1 8 8 ASP N N 15 116.560 0.05 . 1 . . . . 8 ASP N . 16451 1 25 . 1 1 9 9 VAL H H 1 7.060 0.005 . 1 . . . . 9 VAL HN . 16451 1 26 . 1 1 9 9 VAL CA C 13 58.290 0.05 . 1 . . . . 9 VAL CA . 16451 1 27 . 1 1 9 9 VAL CB C 13 34.420 0.05 . 1 . . . . 9 VAL CB . 16451 1 28 . 1 1 9 9 VAL N N 15 113.930 0.05 . 1 . . . . 9 VAL N . 16451 1 29 . 1 1 10 10 ASP H H 1 8.170 0.005 . 1 . . . . 10 ASP HN . 16451 1 30 . 1 1 10 10 ASP CA C 13 52.880 0.05 . 1 . . . . 10 ASP CA . 16451 1 31 . 1 1 10 10 ASP CB C 13 40.760 0.05 . 1 . . . . 10 ASP CB . 16451 1 32 . 1 1 10 10 ASP N N 15 121.740 0.05 . 1 . . . . 10 ASP N . 16451 1 33 . 1 1 11 11 VAL H H 1 8.170 0.005 . 1 . . . . 11 VAL HN . 16451 1 34 . 1 1 11 11 VAL CA C 13 60.570 0.05 . 1 . . . . 11 VAL CA . 16451 1 35 . 1 1 11 11 VAL CB C 13 31.380 0.05 . 1 . . . . 11 VAL CB . 16451 1 36 . 1 1 11 11 VAL N N 15 117.390 0.05 . 1 . . . . 11 VAL N . 16451 1 37 . 1 1 12 12 ARG H H 1 7.670 0.005 . 1 . . . . 12 ARG HN . 16451 1 38 . 1 1 12 12 ARG CA C 13 58.410 0.05 . 1 . . . . 12 ARG CA . 16451 1 39 . 1 1 12 12 ARG CB C 13 28.590 0.05 . 1 . . . . 12 ARG CB . 16451 1 40 . 1 1 12 12 ARG N N 15 124.310 0.05 . 1 . . . . 12 ARG N . 16451 1 41 . 1 1 13 13 GLY H H 1 8.520 0.005 . 1 . . . . 13 GLY HN . 16451 1 42 . 1 1 13 13 GLY CA C 13 45.700 0.05 . 1 . . . . 13 GLY CA . 16451 1 43 . 1 1 13 13 GLY N N 15 116.220 0.05 . 1 . . . . 13 GLY N . 16451 1 44 . 1 1 14 14 LYS H H 1 7.930 0.005 . 1 . . . . 14 LYS HN . 16451 1 45 . 1 1 14 14 LYS CA C 13 54.400 0.05 . 1 . . . . 14 LYS CA . 16451 1 46 . 1 1 14 14 LYS CB C 13 32.480 0.05 . 1 . . . . 14 LYS CB . 16451 1 47 . 1 1 14 14 LYS N N 15 120.610 0.05 . 1 . . . . 14 LYS N . 16451 1 48 . 1 1 15 15 ARG H H 1 9.500 0.005 . 1 . . . . 15 ARG HN . 16451 1 49 . 1 1 15 15 ARG CA C 13 55.160 0.05 . 1 . . . . 15 ARG CA . 16451 1 50 . 1 1 15 15 ARG CB C 13 29.370 0.05 . 1 . . . . 15 ARG CB . 16451 1 51 . 1 1 15 15 ARG N N 15 122.540 0.05 . 1 . . . . 15 ARG N . 16451 1 52 . 1 1 16 16 VAL H H 1 9.350 0.005 . 1 . . . . 16 VAL HN . 16451 1 53 . 1 1 16 16 VAL CA C 13 60.660 0.05 . 1 . . . . 16 VAL CA . 16451 1 54 . 1 1 16 16 VAL CB C 13 32.930 0.05 . 1 . . . . 16 VAL CB . 16451 1 55 . 1 1 16 16 VAL N N 15 129.040 0.05 . 1 . . . . 16 VAL N . 16451 1 56 . 1 1 17 17 PHE H H 1 8.770 0.005 . 1 . . . . 17 PHE HN . 16451 1 57 . 1 1 17 17 PHE CA C 13 56.160 0.05 . 1 . . . . 17 PHE CA . 16451 1 58 . 1 1 17 17 PHE CB C 13 39.080 0.05 . 1 . . . . 17 PHE CB . 16451 1 59 . 1 1 17 17 PHE N N 15 131.270 0.05 . 1 . . . . 17 PHE N . 16451 1 60 . 1 1 18 18 CYS H H 1 9.660 0.005 . 1 . . . . 18 CYS HN . 16451 1 61 . 1 1 18 18 CYS CA C 13 55.410 0.05 . 1 . . . . 18 CYS CA . 16451 1 62 . 1 1 18 18 CYS CB C 13 27.620 0.05 . 1 . . . . 18 CYS CB . 16451 1 63 . 1 1 18 18 CYS N N 15 131.610 0.05 . 1 . . . . 18 CYS N . 16451 1 64 . 1 1 19 19 ARG H H 1 9.060 0.005 . 1 . . . . 19 ARG HN . 16451 1 65 . 1 1 19 19 ARG CA C 13 53.720 0.05 . 1 . . . . 19 ARG CA . 16451 1 66 . 1 1 19 19 ARG CB C 13 32.020 0.05 . 1 . . . . 19 ARG CB . 16451 1 67 . 1 1 19 19 ARG N N 15 130.240 0.05 . 1 . . . . 19 ARG N . 16451 1 68 . 1 1 20 20 VAL H H 1 8.440 0.005 . 1 . . . . 20 VAL HN . 16451 1 69 . 1 1 20 20 VAL CA C 13 58.140 0.05 . 1 . . . . 20 VAL CA . 16451 1 70 . 1 1 20 20 VAL CB C 13 35.000 0.05 . 1 . . . . 20 VAL CB . 16451 1 71 . 1 1 20 20 VAL N N 15 120.010 0.05 . 1 . . . . 20 VAL N . 16451 1 72 . 1 1 21 21 ASP H H 1 8.980 0.005 . 1 . . . . 21 ASP HN . 16451 1 73 . 1 1 21 21 ASP CA C 13 51.330 0.05 . 1 . . . . 21 ASP CA . 16451 1 74 . 1 1 21 21 ASP CB C 13 40.240 0.05 . 1 . . . . 21 ASP CB . 16451 1 75 . 1 1 21 21 ASP N N 15 121.260 0.05 . 1 . . . . 21 ASP N . 16451 1 76 . 1 1 22 22 PHE H H 1 8.190 0.005 . 1 . . . . 22 PHE HN . 16451 1 77 . 1 1 22 22 PHE CA C 13 50.690 0.05 . 1 . . . . 22 PHE CA . 16451 1 78 . 1 1 22 22 PHE CB C 13 36.420 0.05 . 1 . . . . 22 PHE CB . 16451 1 79 . 1 1 22 22 PHE N N 15 122.280 0.05 . 1 . . . . 22 PHE N . 16451 1 80 . 1 1 23 23 ASN H H 1 7.800 0.005 . 1 . . . . 23 ASN HN . 16451 1 81 . 1 1 23 23 ASN CA C 13 52.420 0.05 . 1 . . . . 23 ASN CA . 16451 1 82 . 1 1 23 23 ASN CB C 13 35.910 0.05 . 1 . . . . 23 ASN CB . 16451 1 83 . 1 1 23 23 ASN N N 15 118.790 0.05 . 1 . . . . 23 ASN N . 16451 1 84 . 1 1 24 24 VAL H H 1 7.680 0.005 . 1 . . . . 24 VAL HN . 16451 1 85 . 1 1 24 24 VAL CA C 13 57.720 0.05 . 1 . . . . 24 VAL CA . 16451 1 86 . 1 1 24 24 VAL CB C 13 29.690 0.05 . 1 . . . . 24 VAL CB . 16451 1 87 . 1 1 24 24 VAL N N 15 118.610 0.05 . 1 . . . . 24 VAL N . 16451 1 88 . 1 1 26 26 MET H H 1 7.970 0.005 . 1 . . . . 26 MET HN . 16451 1 89 . 1 1 26 26 MET CA C 13 53.970 0.05 . 1 . . . . 26 MET CA . 16451 1 90 . 1 1 26 26 MET CB C 13 37.200 0.05 . 1 . . . . 26 MET CB . 16451 1 91 . 1 1 26 26 MET N N 15 120.680 0.05 . 1 . . . . 26 MET N . 16451 1 92 . 1 1 27 27 GLU H H 1 8.810 0.005 . 1 . . . . 27 GLU HN . 16451 1 93 . 1 1 27 27 GLU CA C 13 55.710 0.05 . 1 . . . . 27 GLU CA . 16451 1 94 . 1 1 27 27 GLU CB C 13 32.090 0.05 . 1 . . . . 27 GLU CB . 16451 1 95 . 1 1 27 27 GLU N N 15 121.800 0.05 . 1 . . . . 27 GLU N . 16451 1 96 . 1 1 29 29 GLY H H 1 8.670 0.005 . 1 . . . . 29 GLY HN . 16451 1 97 . 1 1 29 29 GLY CA C 13 45.150 0.05 . 1 . . . . 29 GLY CA . 16451 1 98 . 1 1 29 29 GLY N N 15 105.260 0.05 . 1 . . . . 29 GLY N . 16451 1 99 . 1 1 30 30 ALA H H 1 7.790 0.005 . 1 . . . . 30 ALA HN . 16451 1 100 . 1 1 30 30 ALA CA C 13 49.470 0.05 . 1 . . . . 30 ALA CA . 16451 1 101 . 1 1 30 30 ALA CB C 13 20.310 0.05 . 1 . . . . 30 ALA CB . 16451 1 102 . 1 1 30 30 ALA N N 15 123.970 0.05 . 1 . . . . 30 ALA N . 16451 1 103 . 1 1 31 31 ILE H H 1 8.590 0.005 . 1 . . . . 31 ILE HN . 16451 1 104 . 1 1 31 31 ILE CA C 13 61.660 0.05 . 1 . . . . 31 ILE CA . 16451 1 105 . 1 1 31 31 ILE CB C 13 38.110 0.05 . 1 . . . . 31 ILE CB . 16451 1 106 . 1 1 31 31 ILE N N 15 122.260 0.05 . 1 . . . . 31 ILE N . 16451 1 107 . 1 1 32 32 THR H H 1 8.640 0.005 . 1 . . . . 32 THR HN . 16451 1 108 . 1 1 32 32 THR CA C 13 62.210 0.05 . 1 . . . . 32 THR CA . 16451 1 109 . 1 1 32 32 THR CB C 13 68.000 0.05 . 1 . . . . 32 THR CB . 16451 1 110 . 1 1 32 32 THR N N 15 120.970 0.05 . 1 . . . . 32 THR N . 16451 1 111 . 1 1 33 33 ASP H H 1 6.400 0.005 . 1 . . . . 33 ASP HN . 16451 1 112 . 1 1 33 33 ASP CA C 13 53.990 0.05 . 1 . . . . 33 ASP CA . 16451 1 113 . 1 1 33 33 ASP CB C 13 41.540 0.05 . 1 . . . . 33 ASP CB . 16451 1 114 . 1 1 33 33 ASP N N 15 119.940 0.05 . 1 . . . . 33 ASP N . 16451 1 115 . 1 1 34 34 ASP H H 1 8.540 0.005 . 1 . . . . 34 ASP HN . 16451 1 116 . 1 1 34 34 ASP CA C 13 52.520 0.05 . 1 . . . . 34 ASP CA . 16451 1 117 . 1 1 34 34 ASP CB C 13 40.050 0.05 . 1 . . . . 34 ASP CB . 16451 1 118 . 1 1 34 34 ASP N N 15 126.630 0.05 . 1 . . . . 34 ASP N . 16451 1 119 . 1 1 35 35 THR H H 1 8.680 0.005 . 1 . . . . 35 THR HN . 16451 1 120 . 1 1 35 35 THR CA C 13 68.530 0.05 . 1 . . . . 35 THR CA . 16451 1 121 . 1 1 35 35 THR CB C 13 68.180 0.05 . 1 . . . . 35 THR CB . 16451 1 122 . 1 1 35 35 THR N N 15 121.620 0.05 . 1 . . . . 35 THR N . 16451 1 123 . 1 1 36 36 ARG H H 1 9.280 0.005 . 1 . . . . 36 ARG HN . 16451 1 124 . 1 1 36 36 ARG CA C 13 59.780 0.05 . 1 . . . . 36 ARG CA . 16451 1 125 . 1 1 36 36 ARG CB C 13 29.050 0.05 . 1 . . . . 36 ARG CB . 16451 1 126 . 1 1 36 36 ARG N N 15 119.660 0.05 . 1 . . . . 36 ARG N . 16451 1 127 . 1 1 37 37 ILE H H 1 7.080 0.005 . 1 . . . . 37 ILE HN . 16451 1 128 . 1 1 37 37 ILE CA C 13 63.790 0.05 . 1 . . . . 37 ILE CA . 16451 1 129 . 1 1 37 37 ILE CB C 13 36.940 0.05 . 1 . . . . 37 ILE CB . 16451 1 130 . 1 1 37 37 ILE N N 15 116.920 0.05 . 1 . . . . 37 ILE N . 16451 1 131 . 1 1 38 38 ARG H H 1 7.440 0.005 . 1 . . . . 38 ARG HN . 16451 1 132 . 1 1 38 38 ARG CA C 13 59.160 0.05 . 1 . . . . 38 ARG CA . 16451 1 133 . 1 1 38 38 ARG CB C 13 28.980 0.05 . 1 . . . . 38 ARG CB . 16451 1 134 . 1 1 38 38 ARG N N 15 116.970 0.05 . 1 . . . . 38 ARG N . 16451 1 135 . 1 1 39 39 ALA H H 1 8.500 0.005 . 1 . . . . 39 ALA HN . 16451 1 136 . 1 1 39 39 ALA CA C 13 53.870 0.05 . 1 . . . . 39 ALA CA . 16451 1 137 . 1 1 39 39 ALA CB C 13 17.790 0.05 . 1 . . . . 39 ALA CB . 16451 1 138 . 1 1 39 39 ALA N N 15 121.740 0.05 . 1 . . . . 39 ALA N . 16451 1 139 . 1 1 40 40 ALA H H 1 7.230 0.005 . 1 . . . . 40 ALA HN . 16451 1 140 . 1 1 40 40 ALA CA C 13 52.320 0.05 . 1 . . . . 40 ALA CA . 16451 1 141 . 1 1 40 40 ALA CB C 13 19.790 0.05 . 1 . . . . 40 ALA CB . 16451 1 142 . 1 1 40 40 ALA N N 15 117.930 0.05 . 1 . . . . 40 ALA N . 16451 1 143 . 1 1 41 41 LEU H H 1 7.540 0.005 . 1 . . . . 41 LEU HN . 16451 1 144 . 1 1 41 41 LEU CA C 13 59.050 0.05 . 1 . . . . 41 LEU CA . 16451 1 145 . 1 1 41 41 LEU CB C 13 38.170 0.05 . 1 . . . . 41 LEU CB . 16451 1 146 . 1 1 41 41 LEU N N 15 117.370 0.05 . 1 . . . . 41 LEU N . 16451 1 147 . 1 1 43 43 THR H H 1 7.880 0.005 . 1 . . . . 43 THR HN . 16451 1 148 . 1 1 43 43 THR CA C 13 65.870 0.05 . 1 . . . . 43 THR CA . 16451 1 149 . 1 1 43 43 THR CB C 13 68.650 0.05 . 1 . . . . 43 THR CB . 16451 1 150 . 1 1 43 43 THR N N 15 117.480 0.05 . 1 . . . . 43 THR N . 16451 1 151 . 1 1 44 44 ILE H H 1 7.630 0.005 . 1 . . . . 44 ILE HN . 16451 1 152 . 1 1 44 44 ILE CA C 13 66.200 0.05 . 1 . . . . 44 ILE CA . 16451 1 153 . 1 1 44 44 ILE CB C 13 38.110 0.05 . 1 . . . . 44 ILE CB . 16451 1 154 . 1 1 44 44 ILE N N 15 121.380 0.05 . 1 . . . . 44 ILE N . 16451 1 155 . 1 1 45 45 ARG H H 1 9.670 0.005 . 1 . . . . 45 ARG HN . 16451 1 156 . 1 1 45 45 ARG CA C 13 59.920 0.05 . 1 . . . . 45 ARG CA . 16451 1 157 . 1 1 45 45 ARG CB C 13 29.240 0.05 . 1 . . . . 45 ARG CB . 16451 1 158 . 1 1 45 45 ARG N N 15 118.570 0.05 . 1 . . . . 45 ARG N . 16451 1 159 . 1 1 46 46 TYR H H 1 7.820 0.005 . 1 . . . . 46 TYR HN . 16451 1 160 . 1 1 46 46 TYR CA C 13 61.810 0.05 . 1 . . . . 46 TYR CA . 16451 1 161 . 1 1 46 46 TYR CB C 13 38.300 0.05 . 1 . . . . 46 TYR CB . 16451 1 162 . 1 1 46 46 TYR N N 15 120.250 0.05 . 1 . . . . 46 TYR N . 16451 1 163 . 1 1 47 47 LEU H H 1 7.870 0.005 . 1 . . . . 47 LEU HN . 16451 1 164 . 1 1 47 47 LEU CA C 13 58.140 0.05 . 1 . . . . 47 LEU CA . 16451 1 165 . 1 1 47 47 LEU CB C 13 41.020 0.05 . 1 . . . . 47 LEU CB . 16451 1 166 . 1 1 47 47 LEU N N 15 120.290 0.05 . 1 . . . . 47 LEU N . 16451 1 167 . 1 1 48 48 ILE H H 1 8.430 0.005 . 1 . . . . 48 ILE HN . 16451 1 168 . 1 1 48 48 ILE CA C 13 65.880 0.05 . 1 . . . . 48 ILE CA . 16451 1 169 . 1 1 48 48 ILE CB C 13 38.110 0.05 . 1 . . . . 48 ILE CB . 16451 1 170 . 1 1 48 48 ILE N N 15 119.740 0.05 . 1 . . . . 48 ILE N . 16451 1 171 . 1 1 49 49 GLU H H 1 8.610 0.005 . 1 . . . . 49 GLU HN . 16451 1 172 . 1 1 49 49 GLU CA C 13 58.260 0.05 . 1 . . . . 49 GLU CA . 16451 1 173 . 1 1 49 49 GLU CB C 13 28.400 0.05 . 1 . . . . 49 GLU CB . 16451 1 174 . 1 1 49 49 GLU N N 15 121.550 0.05 . 1 . . . . 49 GLU N . 16451 1 175 . 1 1 50 50 HIS H H 1 7.470 0.005 . 1 . . . . 50 HIS HN . 16451 1 176 . 1 1 50 50 HIS CA C 13 57.010 0.05 . 1 . . . . 50 HIS CA . 16451 1 177 . 1 1 50 50 HIS CB C 13 28.270 0.05 . 1 . . . . 50 HIS CB . 16451 1 178 . 1 1 50 50 HIS N N 15 115.370 0.05 . 1 . . . . 50 HIS N . 16451 1 179 . 1 1 51 51 GLY H H 1 7.670 0.005 . 1 . . . . 51 GLY HN . 16451 1 180 . 1 1 51 51 GLY CA C 13 46.820 0.05 . 1 . . . . 51 GLY CA . 16451 1 181 . 1 1 51 51 GLY N N 15 106.480 0.05 . 1 . . . . 51 GLY N . 16451 1 182 . 1 1 52 52 ALA H H 1 8.040 0.005 . 1 . . . . 52 ALA HN . 16451 1 183 . 1 1 52 52 ALA N N 15 123.210 0.05 . 1 . . . . 52 ALA N . 16451 1 184 . 1 1 52 52 ALA CA C 13 51.560 0.05 . 1 . . . . 52 ALA CA . 16451 1 185 . 1 1 52 52 ALA CB C 13 19.660 0.05 . 1 . . . . 52 ALA CB . 16451 1 186 . 1 1 52 52 ALA C C 13 175.330 0.05 . 1 . . . . 52 ALA CO . 16451 1 187 . 1 1 53 53 LYS H H 1 8.660 0.005 . 1 . . . . 53 LYS HN . 16451 1 188 . 1 1 53 53 LYS CA C 13 55.610 0.05 . 1 . . . . 53 LYS CA . 16451 1 189 . 1 1 53 53 LYS CB C 13 31.570 0.05 . 1 . . . . 53 LYS CB . 16451 1 190 . 1 1 53 53 LYS N N 15 122.300 0.05 . 1 . . . . 53 LYS N . 16451 1 191 . 1 1 54 54 VAL H H 1 8.500 0.005 . 1 . . . . 54 VAL HN . 16451 1 192 . 1 1 54 54 VAL CA C 13 64.430 0.05 . 1 . . . . 54 VAL CA . 16451 1 193 . 1 1 54 54 VAL CB C 13 31.640 0.05 . 1 . . . . 54 VAL CB . 16451 1 194 . 1 1 54 54 VAL N N 15 125.980 0.05 . 1 . . . . 54 VAL N . 16451 1 195 . 1 1 55 55 ILE H H 1 8.870 0.005 . 1 . . . . 55 ILE HN . 16451 1 196 . 1 1 55 55 ILE CA C 13 60.010 0.05 . 1 . . . . 55 ILE CA . 16451 1 197 . 1 1 55 55 ILE CB C 13 38.950 0.05 . 1 . . . . 55 ILE CB . 16451 1 198 . 1 1 55 55 ILE N N 15 130.580 0.05 . 1 . . . . 55 ILE N . 16451 1 199 . 1 1 56 56 LEU H H 1 9.440 0.005 . 1 . . . . 56 LEU HN . 16451 1 200 . 1 1 56 56 LEU CA C 13 52.650 0.05 . 1 . . . . 56 LEU CA . 16451 1 201 . 1 1 56 56 LEU CB C 13 44.190 0.05 . 1 . . . . 56 LEU CB . 16451 1 202 . 1 1 56 56 LEU N N 15 126.130 0.05 . 1 . . . . 56 LEU N . 16451 1 203 . 1 1 57 57 ALA H H 1 7.900 0.005 . 1 . . . . 57 ALA HN . 16451 1 204 . 1 1 57 57 ALA CA C 13 48.370 0.05 . 1 . . . . 57 ALA CA . 16451 1 205 . 1 1 57 57 ALA CB C 13 22.830 0.05 . 1 . . . . 57 ALA CB . 16451 1 206 . 1 1 57 57 ALA N N 15 122.510 0.05 . 1 . . . . 57 ALA N . 16451 1 207 . 1 1 58 58 SER H H 1 10.010 0.005 . 1 . . . . 58 SER HN . 16451 1 208 . 1 1 58 58 SER CA C 13 56.370 0.05 . 1 . . . . 58 SER CA . 16451 1 209 . 1 1 58 58 SER CB C 13 64.640 0.05 . 1 . . . . 58 SER CB . 16451 1 210 . 1 1 58 58 SER N N 15 114.890 0.05 . 1 . . . . 58 SER N . 16451 1 211 . 1 1 59 59 HIS H H 1 7.490 0.005 . 1 . . . . 59 HIS HN . 16451 1 212 . 1 1 59 59 HIS CA C 13 54.880 0.05 . 1 . . . . 59 HIS CA . 16451 1 213 . 1 1 59 59 HIS CB C 13 34.030 0.05 . 1 . . . . 59 HIS CB . 16451 1 214 . 1 1 59 59 HIS N N 15 119.220 0.05 . 1 . . . . 59 HIS N . 16451 1 215 . 1 1 60 60 LEU H H 1 6.600 0.005 . 1 . . . . 60 LEU HN . 16451 1 216 . 1 1 60 60 LEU CA C 13 55.310 0.05 . 1 . . . . 60 LEU CA . 16451 1 217 . 1 1 60 60 LEU CB C 13 44.190 0.05 . 1 . . . . 60 LEU CB . 16451 1 218 . 1 1 60 60 LEU N N 15 120.450 0.05 . 1 . . . . 60 LEU N . 16451 1 219 . 1 1 61 61 GLY H H 1 8.600 0.005 . 1 . . . . 61 GLY HN . 16451 1 220 . 1 1 61 61 GLY CA C 13 45.300 0.05 . 1 . . . . 61 GLY CA . 16451 1 221 . 1 1 61 61 GLY N N 15 113.410 0.05 . 1 . . . . 61 GLY N . 16451 1 222 . 1 1 62 62 ARG H H 1 8.360 0.005 . 1 . . . . 62 ARG HN . 16451 1 223 . 1 1 62 62 ARG CA C 13 53.070 0.05 . 1 . . . . 62 ARG CA . 16451 1 224 . 1 1 62 62 ARG CB C 13 30.020 0.05 . 1 . . . . 62 ARG CB . 16451 1 225 . 1 1 62 62 ARG N N 15 119.760 0.05 . 1 . . . . 62 ARG N . 16451 1 226 . 1 1 64 64 LYS H H 1 8.900 0.005 . 1 . . . . 64 LYS HN . 16451 1 227 . 1 1 64 64 LYS CA C 13 55.810 0.05 . 1 . . . . 64 LYS CA . 16451 1 228 . 1 1 64 64 LYS CB C 13 28.590 0.05 . 1 . . . . 64 LYS CB . 16451 1 229 . 1 1 64 64 LYS N N 15 115.390 0.05 . 1 . . . . 64 LYS N . 16451 1 230 . 1 1 65 65 GLY H H 1 7.710 0.005 . 1 . . . . 65 GLY HN . 16451 1 231 . 1 1 65 65 GLY CA C 13 46.670 0.05 . 1 . . . . 65 GLY CA . 16451 1 232 . 1 1 65 65 GLY N N 15 105.300 0.05 . 1 . . . . 65 GLY N . 16451 1 233 . 1 1 66 66 LYS H H 1 7.000 0.005 . 1 . . . . 66 LYS HN . 16451 1 234 . 1 1 66 66 LYS CA C 13 53.180 0.05 . 1 . . . . 66 LYS CA . 16451 1 235 . 1 1 66 66 LYS CB C 13 34.290 0.05 . 1 . . . . 66 LYS CB . 16451 1 236 . 1 1 66 66 LYS N N 15 117.030 0.05 . 1 . . . . 66 LYS N . 16451 1 237 . 1 1 67 67 VAL H H 1 7.640 0.005 . 1 . . . . 67 VAL HN . 16451 1 238 . 1 1 67 67 VAL CA C 13 63.100 0.05 . 1 . . . . 67 VAL CA . 16451 1 239 . 1 1 67 67 VAL CB C 13 30.150 0.05 . 1 . . . . 67 VAL CB . 16451 1 240 . 1 1 67 67 VAL N N 15 118.470 0.05 . 1 . . . . 67 VAL N . 16451 1 241 . 1 1 69 69 GLU H H 1 8.890 0.005 . 1 . . . . 69 GLU HN . 16451 1 242 . 1 1 69 69 GLU CA C 13 59.900 0.05 . 1 . . . . 69 GLU CA . 16451 1 243 . 1 1 69 69 GLU CB C 13 28.270 0.05 . 1 . . . . 69 GLU CB . 16451 1 244 . 1 1 69 69 GLU N N 15 128.910 0.05 . 1 . . . . 69 GLU N . 16451 1 245 . 1 1 70 70 GLU H H 1 9.010 0.005 . 1 . . . . 70 GLU HN . 16451 1 246 . 1 1 70 70 GLU CA C 13 58.260 0.05 . 1 . . . . 70 GLU CA . 16451 1 247 . 1 1 70 70 GLU CB C 13 28.340 0.05 . 1 . . . . 70 GLU CB . 16451 1 248 . 1 1 70 70 GLU N N 15 116.330 0.05 . 1 . . . . 70 GLU N . 16451 1 249 . 1 1 71 71 LEU H H 1 8.020 0.005 . 1 . . . . 71 LEU HN . 16451 1 250 . 1 1 71 71 LEU CA C 13 52.950 0.05 . 1 . . . . 71 LEU CA . 16451 1 251 . 1 1 71 71 LEU CB C 13 40.760 0.05 . 1 . . . . 71 LEU CB . 16451 1 252 . 1 1 71 71 LEU N N 15 118.920 0.05 . 1 . . . . 71 LEU N . 16451 1 253 . 1 1 72 72 ARG H H 1 7.180 0.005 . 1 . . . . 72 ARG HN . 16451 1 254 . 1 1 72 72 ARG CA C 13 57.630 0.05 . 1 . . . . 72 ARG CA . 16451 1 255 . 1 1 72 72 ARG CB C 13 31.570 0.05 . 1 . . . . 72 ARG CB . 16451 1 256 . 1 1 72 72 ARG N N 15 118.740 0.05 . 1 . . . . 72 ARG N . 16451 1 257 . 1 1 73 73 LEU H H 1 9.470 0.005 . 1 . . . . 73 LEU HN . 16451 1 258 . 1 1 73 73 LEU CA C 13 55.280 0.05 . 1 . . . . 73 LEU CA . 16451 1 259 . 1 1 73 73 LEU CB C 13 39.920 0.05 . 1 . . . . 73 LEU CB . 16451 1 260 . 1 1 73 73 LEU N N 15 118.600 0.05 . 1 . . . . 73 LEU N . 16451 1 261 . 1 1 74 74 ASP H H 1 7.920 0.005 . 1 . . . . 74 ASP HN . 16451 1 262 . 1 1 74 74 ASP CA C 13 58.910 0.05 . 1 . . . . 74 ASP CA . 16451 1 263 . 1 1 74 74 ASP CB C 13 39.660 0.05 . 1 . . . . 74 ASP CB . 16451 1 264 . 1 1 74 74 ASP N N 15 121.620 0.05 . 1 . . . . 74 ASP N . 16451 1 265 . 1 1 75 75 ALA H H 1 8.970 0.005 . 1 . . . . 75 ALA HN . 16451 1 266 . 1 1 75 75 ALA CA C 13 54.880 0.05 . 1 . . . . 75 ALA CA . 16451 1 267 . 1 1 75 75 ALA CB C 13 16.950 0.05 . 1 . . . . 75 ALA CB . 16451 1 268 . 1 1 75 75 ALA N N 15 122.540 0.05 . 1 . . . . 75 ALA N . 16451 1 269 . 1 1 76 76 VAL H H 1 7.300 0.005 . 1 . . . . 76 VAL HN . 16451 1 270 . 1 1 76 76 VAL CA C 13 65.830 0.05 . 1 . . . . 76 VAL CA . 16451 1 271 . 1 1 76 76 VAL CB C 13 30.410 0.05 . 1 . . . . 76 VAL CB . 16451 1 272 . 1 1 76 76 VAL N N 15 120.400 0.05 . 1 . . . . 76 VAL N . 16451 1 273 . 1 1 77 77 ALA H H 1 7.970 0.005 . 1 . . . . 77 ALA HN . 16451 1 274 . 1 1 77 77 ALA CA C 13 55.280 0.05 . 1 . . . . 77 ALA CA . 16451 1 275 . 1 1 77 77 ALA CB C 13 17.330 0.05 . 1 . . . . 77 ALA CB . 16451 1 276 . 1 1 77 77 ALA N N 15 122.400 0.05 . 1 . . . . 77 ALA N . 16451 1 277 . 1 1 78 78 LYS H H 1 7.550 0.005 . 1 . . . . 78 LYS HN . 16451 1 278 . 1 1 78 78 LYS CA C 13 58.680 0.05 . 1 . . . . 78 LYS CA . 16451 1 279 . 1 1 78 78 LYS CB C 13 31.570 0.05 . 1 . . . . 78 LYS CB . 16451 1 280 . 1 1 78 78 LYS N N 15 117.850 0.05 . 1 . . . . 78 LYS N . 16451 1 281 . 1 1 79 79 ARG H H 1 7.710 0.005 . 1 . . . . 79 ARG HN . 16451 1 282 . 1 1 79 79 ARG CA C 13 56.060 0.05 . 1 . . . . 79 ARG CA . 16451 1 283 . 1 1 79 79 ARG CB C 13 27.950 0.05 . 1 . . . . 79 ARG CB . 16451 1 284 . 1 1 79 79 ARG N N 15 120.420 0.05 . 1 . . . . 79 ARG N . 16451 1 285 . 1 1 80 80 LEU H H 1 8.820 0.005 . 1 . . . . 80 LEU HN . 16451 1 286 . 1 1 80 80 LEU CA C 13 57.740 0.05 . 1 . . . . 80 LEU CA . 16451 1 287 . 1 1 80 80 LEU CB C 13 40.050 0.05 . 1 . . . . 80 LEU CB . 16451 1 288 . 1 1 80 80 LEU N N 15 120.490 0.05 . 1 . . . . 80 LEU N . 16451 1 289 . 1 1 81 81 GLY H H 1 8.070 0.005 . 1 . . . . 81 GLY HN . 16451 1 290 . 1 1 81 81 GLY CA C 13 47.370 0.05 . 1 . . . . 81 GLY CA . 16451 1 291 . 1 1 81 81 GLY N N 15 106.600 0.05 . 1 . . . . 81 GLY N . 16451 1 292 . 1 1 82 82 GLU H H 1 7.630 0.005 . 1 . . . . 82 GLU HN . 16451 1 293 . 1 1 82 82 GLU CA C 13 58.510 0.05 . 1 . . . . 82 GLU CA . 16451 1 294 . 1 1 82 82 GLU CB C 13 29.050 0.05 . 1 . . . . 82 GLU CB . 16451 1 295 . 1 1 82 82 GLU N N 15 122.290 0.05 . 1 . . . . 82 GLU N . 16451 1 296 . 1 1 83 83 LEU H H 1 7.930 0.005 . 1 . . . . 83 LEU HN . 16451 1 297 . 1 1 83 83 LEU CA C 13 56.700 0.05 . 1 . . . . 83 LEU CA . 16451 1 298 . 1 1 83 83 LEU CB C 13 41.920 0.05 . 1 . . . . 83 LEU CB . 16451 1 299 . 1 1 83 83 LEU N N 15 119.560 0.05 . 1 . . . . 83 LEU N . 16451 1 300 . 1 1 84 84 LEU H H 1 8.550 0.005 . 1 . . . . 84 LEU HN . 16451 1 301 . 1 1 84 84 LEU CA C 13 54.830 0.05 . 1 . . . . 84 LEU CA . 16451 1 302 . 1 1 84 84 LEU CB C 13 42.770 0.05 . 1 . . . . 84 LEU CB . 16451 1 303 . 1 1 84 84 LEU N N 15 117.570 0.05 . 1 . . . . 84 LEU N . 16451 1 304 . 1 1 85 85 GLU H H 1 7.840 0.005 . 1 . . . . 85 GLU HN . 16451 1 305 . 1 1 85 85 GLU CA C 13 56.830 0.05 . 1 . . . . 85 GLU CA . 16451 1 306 . 1 1 85 85 GLU CB C 13 26.460 0.05 . 1 . . . . 85 GLU CB . 16451 1 307 . 1 1 85 85 GLU N N 15 116.800 0.05 . 1 . . . . 85 GLU N . 16451 1 308 . 1 1 86 86 ARG H H 1 7.860 0.005 . 1 . . . . 86 ARG HN . 16451 1 309 . 1 1 86 86 ARG CA C 13 53.060 0.05 . 1 . . . . 86 ARG CA . 16451 1 310 . 1 1 86 86 ARG CB C 13 31.440 0.05 . 1 . . . . 86 ARG CB . 16451 1 311 . 1 1 86 86 ARG N N 15 117.820 0.05 . 1 . . . . 86 ARG N . 16451 1 312 . 1 1 88 88 VAL H H 1 8.100 0.005 . 1 . . . . 88 VAL HN . 16451 1 313 . 1 1 88 88 VAL CA C 13 60.880 0.05 . 1 . . . . 88 VAL CA . 16451 1 314 . 1 1 88 88 VAL CB C 13 33.380 0.05 . 1 . . . . 88 VAL CB . 16451 1 315 . 1 1 88 88 VAL N N 15 123.540 0.05 . 1 . . . . 88 VAL N . 16451 1 316 . 1 1 89 89 ALA H H 1 7.900 0.005 . 1 . . . . 89 ALA HN . 16451 1 317 . 1 1 89 89 ALA CA C 13 51.200 0.05 . 1 . . . . 89 ALA CA . 16451 1 318 . 1 1 89 89 ALA CB C 13 19.150 0.05 . 1 . . . . 89 ALA CB . 16451 1 319 . 1 1 89 89 ALA N N 15 131.200 0.05 . 1 . . . . 89 ALA N . 16451 1 320 . 1 1 90 90 LYS H H 1 8.200 0.005 . 1 . . . . 90 LYS HN . 16451 1 321 . 1 1 90 90 LYS CA C 13 54.830 0.05 . 1 . . . . 90 LYS CA . 16451 1 322 . 1 1 90 90 LYS CB C 13 33.770 0.05 . 1 . . . . 90 LYS CB . 16451 1 323 . 1 1 90 90 LYS N N 15 123.070 0.05 . 1 . . . . 90 LYS N . 16451 1 324 . 1 1 91 91 THR H H 1 8.180 0.005 . 1 . . . . 91 THR HN . 16451 1 325 . 1 1 91 91 THR CA C 13 59.690 0.05 . 1 . . . . 91 THR CA . 16451 1 326 . 1 1 91 91 THR CB C 13 70.010 0.05 . 1 . . . . 91 THR CB . 16451 1 327 . 1 1 91 91 THR N N 15 118.640 0.05 . 1 . . . . 91 THR N . 16451 1 328 . 1 1 92 92 ASN H H 1 8.870 0.005 . 1 . . . . 92 ASN HN . 16451 1 329 . 1 1 92 92 ASN CA C 13 52.970 0.05 . 1 . . . . 92 ASN CA . 16451 1 330 . 1 1 92 92 ASN CB C 13 38.380 0.05 . 1 . . . . 92 ASN CB . 16451 1 331 . 1 1 92 92 ASN N N 15 118.660 0.05 . 1 . . . . 92 ASN N . 16451 1 332 . 1 1 93 93 GLU H H 1 7.270 0.005 . 1 . . . . 93 GLU HN . 16451 1 333 . 1 1 93 93 GLU CA C 13 54.290 0.05 . 1 . . . . 93 GLU CA . 16451 1 334 . 1 1 93 93 GLU CB C 13 34.160 0.05 . 1 . . . . 93 GLU CB . 16451 1 335 . 1 1 93 93 GLU N N 15 116.760 0.05 . 1 . . . . 93 GLU N . 16451 1 336 . 1 1 94 94 ALA H H 1 8.910 0.005 . 1 . . . . 94 ALA HN . 16451 1 337 . 1 1 94 94 ALA CA C 13 51.790 0.05 . 1 . . . . 94 ALA CA . 16451 1 338 . 1 1 94 94 ALA CB C 13 21.020 0.05 . 1 . . . . 94 ALA CB . 16451 1 339 . 1 1 94 94 ALA N N 15 123.550 0.05 . 1 . . . . 94 ALA N . 16451 1 340 . 1 1 95 95 VAL H H 1 6.900 0.005 . 1 . . . . 95 VAL HN . 16451 1 341 . 1 1 95 95 VAL CA C 13 58.720 0.05 . 1 . . . . 95 VAL CA . 16451 1 342 . 1 1 95 95 VAL CB C 13 35.650 0.05 . 1 . . . . 95 VAL CB . 16451 1 343 . 1 1 95 95 VAL N N 15 105.190 0.05 . 1 . . . . 95 VAL N . 16451 1 344 . 1 1 96 96 GLY H H 1 8.500 0.005 . 1 . . . . 96 GLY HN . 16451 1 345 . 1 1 96 96 GLY CA C 13 43.830 0.05 . 1 . . . . 96 GLY CA . 16451 1 346 . 1 1 96 96 GLY N N 15 109.370 0.05 . 1 . . . . 96 GLY N . 16451 1 347 . 1 1 99 99 VAL H H 1 7.480 0.005 . 1 . . . . 99 VAL HN . 16451 1 348 . 1 1 99 99 VAL CA C 13 66.090 0.05 . 1 . . . . 99 VAL CA . 16451 1 349 . 1 1 99 99 VAL CB C 13 30.600 0.05 . 1 . . . . 99 VAL CB . 16451 1 350 . 1 1 99 99 VAL N N 15 123.360 0.05 . 1 . . . . 99 VAL N . 16451 1 351 . 1 1 100 100 LYS H H 1 8.280 0.005 . 1 . . . . 100 LYS HN . 16451 1 352 . 1 1 100 100 LYS CA C 13 60.010 0.05 . 1 . . . . 100 LYS CA . 16451 1 353 . 1 1 100 100 LYS CB C 13 31.180 0.05 . 1 . . . . 100 LYS CB . 16451 1 354 . 1 1 100 100 LYS N N 15 120.630 0.05 . 1 . . . . 100 LYS N . 16451 1 355 . 1 1 101 101 ALA H H 1 7.650 0.005 . 1 . . . . 101 ALA HN . 16451 1 356 . 1 1 101 101 ALA CA C 13 54.380 0.05 . 1 . . . . 101 ALA CA . 16451 1 357 . 1 1 101 101 ALA CB C 13 17.200 0.05 . 1 . . . . 101 ALA CB . 16451 1 358 . 1 1 101 101 ALA N N 15 120.100 0.05 . 1 . . . . 101 ALA N . 16451 1 359 . 1 1 102 102 ALA H H 1 7.510 0.005 . 1 . . . . 102 ALA HN . 16451 1 360 . 1 1 102 102 ALA CA C 13 54.430 0.05 . 1 . . . . 102 ALA CA . 16451 1 361 . 1 1 102 102 ALA CB C 13 17.460 0.05 . 1 . . . . 102 ALA CB . 16451 1 362 . 1 1 102 102 ALA N N 15 121.780 0.05 . 1 . . . . 102 ALA N . 16451 1 363 . 1 1 103 103 VAL H H 1 8.520 0.005 . 1 . . . . 103 VAL HN . 16451 1 364 . 1 1 103 103 VAL CA C 13 65.630 0.05 . 1 . . . . 103 VAL CA . 16451 1 365 . 1 1 103 103 VAL CB C 13 30.660 0.05 . 1 . . . . 103 VAL CB . 16451 1 366 . 1 1 103 103 VAL N N 15 121.140 0.05 . 1 . . . . 103 VAL N . 16451 1 367 . 1 1 104 104 ASP H H 1 8.120 0.005 . 1 . . . . 104 ASP HN . 16451 1 368 . 1 1 104 104 ASP CA C 13 56.300 0.05 . 1 . . . . 104 ASP CA . 16451 1 369 . 1 1 104 104 ASP CB C 13 40.180 0.05 . 1 . . . . 104 ASP CB . 16451 1 370 . 1 1 104 104 ASP N N 15 121.110 0.05 . 1 . . . . 104 ASP N . 16451 1 371 . 1 1 105 105 ARG H H 1 7.070 0.005 . 1 . . . . 105 ARG HN . 16451 1 372 . 1 1 105 105 ARG CA C 13 55.960 0.05 . 1 . . . . 105 ARG CA . 16451 1 373 . 1 1 105 105 ARG CB C 13 30.470 0.05 . 1 . . . . 105 ARG CB . 16451 1 374 . 1 1 105 105 ARG N N 15 116.190 0.05 . 1 . . . . 105 ARG N . 16451 1 375 . 1 1 106 106 LEU H H 1 7.420 0.005 . 1 . . . . 106 LEU HN . 16451 1 376 . 1 1 106 106 LEU CA C 13 55.730 0.05 . 1 . . . . 106 LEU CA . 16451 1 377 . 1 1 106 106 LEU CB C 13 41.730 0.05 . 1 . . . . 106 LEU CB . 16451 1 378 . 1 1 106 106 LEU N N 15 120.910 0.05 . 1 . . . . 106 LEU N . 16451 1 379 . 1 1 107 107 ASN H H 1 9.320 0.005 . 1 . . . . 107 ASN HN . 16451 1 380 . 1 1 107 107 ASN CA C 13 50.980 0.05 . 1 . . . . 107 ASN CA . 16451 1 381 . 1 1 107 107 ASN CB C 13 40.110 0.05 . 1 . . . . 107 ASN CB . 16451 1 382 . 1 1 107 107 ASN N N 15 122.500 0.05 . 1 . . . . 107 ASN N . 16451 1 383 . 1 1 108 108 GLU H H 1 8.650 0.005 . 1 . . . . 108 GLU HN . 16451 1 384 . 1 1 108 108 GLU CA C 13 59.340 0.05 . 1 . . . . 108 GLU CA . 16451 1 385 . 1 1 108 108 GLU CB C 13 28.920 0.05 . 1 . . . . 108 GLU CB . 16451 1 386 . 1 1 108 108 GLU N N 15 119.740 0.05 . 1 . . . . 108 GLU N . 16451 1 387 . 1 1 109 109 GLY H H 1 8.610 0.005 . 1 . . . . 109 GLY HN . 16451 1 388 . 1 1 109 109 GLY C C 13 172.380 0.05 . 1 . . . . 109 GLY CO . 16451 1 389 . 1 1 109 109 GLY CA C 13 45.480 0.05 . 1 . . . . 109 GLY CA . 16451 1 390 . 1 1 109 109 GLY N N 15 114.970 0.05 . 1 . . . . 109 GLY N . 16451 1 391 . 1 1 110 110 ASP H H 1 7.900 0.005 . 1 . . . . 110 ASP HN . 16451 1 392 . 1 1 110 110 ASP C C 13 174.480 0.05 . 1 . . . . 110 ASP CO . 16451 1 393 . 1 1 110 110 ASP CA C 13 53.740 0.05 . 1 . . . . 110 ASP CA . 16451 1 394 . 1 1 110 110 ASP CB C 13 42.830 0.05 . 1 . . . . 110 ASP CB . 16451 1 395 . 1 1 110 110 ASP N N 15 119.620 0.05 . 1 . . . . 110 ASP N . 16451 1 396 . 1 1 111 111 VAL H H 1 7.860 0.005 . 1 . . . . 111 VAL HN . 16451 1 397 . 1 1 111 111 VAL CA C 13 60.380 0.05 . 1 . . . . 111 VAL CA . 16451 1 398 . 1 1 111 111 VAL CB C 13 33.900 0.05 . 1 . . . . 111 VAL CB . 16451 1 399 . 1 1 111 111 VAL N N 15 116.430 0.05 . 1 . . . . 111 VAL N . 16451 1 400 . 1 1 112 112 LEU H H 1 9.190 0.005 . 1 . . . . 112 LEU HN . 16451 1 401 . 1 1 112 112 LEU CA C 13 52.780 0.05 . 1 . . . . 112 LEU CA . 16451 1 402 . 1 1 112 112 LEU CB C 13 46.200 0.05 . 1 . . . . 112 LEU CB . 16451 1 403 . 1 1 112 112 LEU N N 15 132.600 0.05 . 1 . . . . 112 LEU N . 16451 1 404 . 1 1 113 113 LEU H H 1 9.270 0.005 . 1 . . . . 113 LEU HN . 16451 1 405 . 1 1 113 113 LEU CA C 13 52.970 0.05 . 1 . . . . 113 LEU CA . 16451 1 406 . 1 1 113 113 LEU CB C 13 44.060 0.05 . 1 . . . . 113 LEU CB . 16451 1 407 . 1 1 113 113 LEU N N 15 129.820 0.05 . 1 . . . . 113 LEU N . 16451 1 408 . 1 1 114 114 LEU H H 1 8.150 0.005 . 1 . . . . 114 LEU HN . 16451 1 409 . 1 1 114 114 LEU CA C 13 53.420 0.05 . 1 . . . . 114 LEU CA . 16451 1 410 . 1 1 114 114 LEU CB C 13 41.730 0.05 . 1 . . . . 114 LEU CB . 16451 1 411 . 1 1 114 114 LEU N N 15 124.590 0.05 . 1 . . . . 114 LEU N . 16451 1 412 . 1 1 116 116 ASN H H 1 9.050 0.005 . 1 . . . . 116 ASN HN . 16451 1 413 . 1 1 116 116 ASN CA C 13 53.290 0.05 . 1 . . . . 116 ASN CA . 16451 1 414 . 1 1 116 116 ASN CB C 13 38.240 0.05 . 1 . . . . 116 ASN CB . 16451 1 415 . 1 1 116 116 ASN N N 15 123.610 0.05 . 1 . . . . 116 ASN N . 16451 1 416 . 1 1 117 117 VAL H H 1 7.960 0.005 . 1 . . . . 117 VAL HN . 16451 1 417 . 1 1 117 117 VAL CA C 13 64.970 0.05 . 1 . . . . 117 VAL CA . 16451 1 418 . 1 1 117 117 VAL CB C 13 30.660 0.05 . 1 . . . . 117 VAL CB . 16451 1 419 . 1 1 117 117 VAL N N 15 119.870 0.05 . 1 . . . . 117 VAL N . 16451 1 420 . 1 1 118 118 ARG H H 1 7.820 0.005 . 1 . . . . 118 ARG HN . 16451 1 421 . 1 1 118 118 ARG CA C 13 57.250 0.05 . 1 . . . . 118 ARG CA . 16451 1 422 . 1 1 118 118 ARG CB C 13 29.050 0.05 . 1 . . . . 118 ARG CB . 16451 1 423 . 1 1 118 118 ARG N N 15 114.370 0.05 . 1 . . . . 118 ARG N . 16451 1 424 . 1 1 119 119 PHE H H 1 7.530 0.005 . 1 . . . . 119 PHE HN . 16451 1 425 . 1 1 119 119 PHE CA C 13 54.180 0.05 . 1 . . . . 119 PHE CA . 16451 1 426 . 1 1 119 119 PHE CB C 13 36.100 0.05 . 1 . . . . 119 PHE CB . 16451 1 427 . 1 1 119 119 PHE N N 15 118.540 0.05 . 1 . . . . 119 PHE N . 16451 1 428 . 1 1 120 120 TYR H H 1 7.150 0.005 . 1 . . . . 120 TYR HN . 16451 1 429 . 1 1 120 120 TYR CA C 13 54.970 0.05 . 1 . . . . 120 TYR CA . 16451 1 430 . 1 1 120 120 TYR CB C 13 37.780 0.05 . 1 . . . . 120 TYR CB . 16451 1 431 . 1 1 120 120 TYR N N 15 117.490 0.05 . 1 . . . . 120 TYR N . 16451 1 432 . 1 1 123 123 GLU H H 1 7.640 0.005 . 1 . . . . 123 GLU HN . 16451 1 433 . 1 1 123 123 GLU CA C 13 58.810 0.05 . 1 . . . . 123 GLU CA . 16451 1 434 . 1 1 123 123 GLU CB C 13 27.430 0.05 . 1 . . . . 123 GLU CB . 16451 1 435 . 1 1 123 123 GLU N N 15 125.740 0.05 . 1 . . . . 123 GLU N . 16451 1 436 . 1 1 124 124 GLU H H 1 8.630 0.005 . 1 . . . . 124 GLU HN . 16451 1 437 . 1 1 124 124 GLU CA C 13 57.810 0.05 . 1 . . . . 124 GLU CA . 16451 1 438 . 1 1 124 124 GLU CB C 13 28.220 0.05 . 1 . . . . 124 GLU CB . 16451 1 439 . 1 1 124 124 GLU N N 15 119.520 0.05 . 1 . . . . 124 GLU N . 16451 1 440 . 1 1 125 125 LYS H H 1 6.510 0.005 . 1 . . . . 125 LYS HN . 16451 1 441 . 1 1 125 125 LYS CA C 13 55.270 0.05 . 1 . . . . 125 LYS CA . 16451 1 442 . 1 1 125 125 LYS CB C 13 32.260 0.05 . 1 . . . . 125 LYS CB . 16451 1 443 . 1 1 125 125 LYS N N 15 114.530 0.05 . 1 . . . . 125 LYS N . 16451 1 444 . 1 1 126 126 ASN H H 1 7.930 0.005 . 1 . . . . 126 ASN HN . 16451 1 445 . 1 1 126 126 ASN CA C 13 51.880 0.05 . 1 . . . . 126 ASN CA . 16451 1 446 . 1 1 126 126 ASN CB C 13 36.230 0.05 . 1 . . . . 126 ASN CB . 16451 1 447 . 1 1 126 126 ASN N N 15 121.520 0.05 . 1 . . . . 126 ASN N . 16451 1 448 . 1 1 127 127 ASP H H 1 8.400 0.005 . 1 . . . . 127 ASP HN . 16451 1 449 . 1 1 127 127 ASP CA C 13 51.970 0.05 . 1 . . . . 127 ASP CA . 16451 1 450 . 1 1 127 127 ASP CB C 13 42.570 0.05 . 1 . . . . 127 ASP CB . 16451 1 451 . 1 1 127 127 ASP N N 15 120.480 0.05 . 1 . . . . 127 ASP N . 16451 1 452 . 1 1 129 129 GLU H H 1 8.210 0.005 . 1 . . . . 129 GLU HN . 16451 1 453 . 1 1 129 129 GLU CA C 13 58.400 0.05 . 1 . . . . 129 GLU CA . 16451 1 454 . 1 1 129 129 GLU CB C 13 28.210 0.05 . 1 . . . . 129 GLU CB . 16451 1 455 . 1 1 129 129 GLU N N 15 116.730 0.05 . 1 . . . . 129 GLU N . 16451 1 456 . 1 1 130 130 LEU H H 1 7.180 0.005 . 1 . . . . 130 LEU HN . 16451 1 457 . 1 1 130 130 LEU CA C 13 55.970 0.05 . 1 . . . . 130 LEU CA . 16451 1 458 . 1 1 130 130 LEU CB C 13 40.110 0.05 . 1 . . . . 130 LEU CB . 16451 1 459 . 1 1 130 130 LEU N N 15 122.930 0.05 . 1 . . . . 130 LEU N . 16451 1 460 . 1 1 131 131 ALA H H 1 7.720 0.005 . 1 . . . . 131 ALA HN . 16451 1 461 . 1 1 131 131 ALA CA C 13 55.320 0.05 . 1 . . . . 131 ALA CA . 16451 1 462 . 1 1 131 131 ALA CB C 13 17.080 0.05 . 1 . . . . 131 ALA CB . 16451 1 463 . 1 1 131 131 ALA N N 15 120.370 0.05 . 1 . . . . 131 ALA N . 16451 1 464 . 1 1 132 132 LYS H H 1 7.840 0.005 . 1 . . . . 132 LYS HN . 16451 1 465 . 1 1 132 132 LYS CA C 13 58.610 0.05 . 1 . . . . 132 LYS CA . 16451 1 466 . 1 1 132 132 LYS CB C 13 31.500 0.05 . 1 . . . . 132 LYS CB . 16451 1 467 . 1 1 132 132 LYS N N 15 116.800 0.05 . 1 . . . . 132 LYS N . 16451 1 468 . 1 1 133 133 ALA H H 1 7.020 0.005 . 1 . . . . 133 ALA HN . 16451 1 469 . 1 1 133 133 ALA CA C 13 54.320 0.05 . 1 . . . . 133 ALA CA . 16451 1 470 . 1 1 133 133 ALA CB C 13 16.880 0.05 . 1 . . . . 133 ALA CB . 16451 1 471 . 1 1 133 133 ALA N N 15 123.590 0.05 . 1 . . . . 133 ALA N . 16451 1 472 . 1 1 134 134 PHE H H 1 8.010 0.005 . 1 . . . . 134 PHE HN . 16451 1 473 . 1 1 134 134 PHE CA C 13 56.860 0.05 . 1 . . . . 134 PHE CA . 16451 1 474 . 1 1 134 134 PHE CB C 13 37.590 0.05 . 1 . . . . 134 PHE CB . 16451 1 475 . 1 1 134 134 PHE N N 15 117.970 0.05 . 1 . . . . 134 PHE N . 16451 1 476 . 1 1 135 135 ALA H H 1 7.810 0.005 . 1 . . . . 135 ALA HN . 16451 1 477 . 1 1 135 135 ALA CA C 13 53.970 0.05 . 1 . . . . 135 ALA CA . 16451 1 478 . 1 1 135 135 ALA CB C 13 18.430 0.05 . 1 . . . . 135 ALA CB . 16451 1 479 . 1 1 135 135 ALA N N 15 119.290 0.05 . 1 . . . . 135 ALA N . 16451 1 480 . 1 1 136 136 GLU H H 1 7.570 0.005 . 1 . . . . 136 GLU HN . 16451 1 481 . 1 1 136 136 GLU CA C 13 57.510 0.05 . 1 . . . . 136 GLU CA . 16451 1 482 . 1 1 136 136 GLU CB C 13 29.240 0.05 . 1 . . . . 136 GLU CB . 16451 1 483 . 1 1 136 136 GLU N N 15 115.770 0.05 . 1 . . . . 136 GLU N . 16451 1 484 . 1 1 137 137 LEU H H 1 7.550 0.005 . 1 . . . . 137 LEU HN . 16451 1 485 . 1 1 137 137 LEU CA C 13 54.860 0.05 . 1 . . . . 137 LEU CA . 16451 1 486 . 1 1 137 137 LEU CB C 13 42.050 0.05 . 1 . . . . 137 LEU CB . 16451 1 487 . 1 1 137 137 LEU N N 15 117.370 0.05 . 1 . . . . 137 LEU N . 16451 1 488 . 1 1 138 138 ALA H H 1 7.420 0.005 . 1 . . . . 138 ALA HN . 16451 1 489 . 1 1 138 138 ALA CA C 13 50.230 0.05 . 1 . . . . 138 ALA CA . 16451 1 490 . 1 1 138 138 ALA CB C 13 24.450 0.05 . 1 . . . . 138 ALA CB . 16451 1 491 . 1 1 138 138 ALA N N 15 115.770 0.05 . 1 . . . . 138 ALA N . 16451 1 492 . 1 1 139 139 ASP H H 1 9.070 0.005 . 1 . . . . 139 ASP HN . 16451 1 493 . 1 1 139 139 ASP CA C 13 54.650 0.05 . 1 . . . . 139 ASP CA . 16451 1 494 . 1 1 139 139 ASP CB C 13 44.510 0.05 . 1 . . . . 139 ASP CB . 16451 1 495 . 1 1 139 139 ASP N N 15 113.830 0.05 . 1 . . . . 139 ASP N . 16451 1 496 . 1 1 140 140 LEU H H 1 7.870 0.005 . 1 . . . . 140 LEU HN . 16451 1 497 . 1 1 140 140 LEU CA C 13 54.510 0.05 . 1 . . . . 140 LEU CA . 16451 1 498 . 1 1 140 140 LEU CB C 13 45.680 0.05 . 1 . . . . 140 LEU CB . 16451 1 499 . 1 1 140 140 LEU N N 15 121.160 0.05 . 1 . . . . 140 LEU N . 16451 1 500 . 1 1 141 141 TYR H H 1 9.020 0.005 . 1 . . . . 141 TYR HN . 16451 1 501 . 1 1 141 141 TYR CA C 13 55.090 0.05 . 1 . . . . 141 TYR CA . 16451 1 502 . 1 1 141 141 TYR CB C 13 40.240 0.05 . 1 . . . . 141 TYR CB . 16451 1 503 . 1 1 141 141 TYR N N 15 127.130 0.05 . 1 . . . . 141 TYR N . 16451 1 504 . 1 1 142 142 VAL H H 1 8.780 0.005 . 1 . . . . 142 VAL HN . 16451 1 505 . 1 1 142 142 VAL CA C 13 58.060 0.05 . 1 . . . . 142 VAL CA . 16451 1 506 . 1 1 142 142 VAL CB C 13 33.640 0.05 . 1 . . . . 142 VAL CB . 16451 1 507 . 1 1 142 142 VAL N N 15 128.310 0.05 . 1 . . . . 142 VAL N . 16451 1 508 . 1 1 143 143 ASN H H 1 8.230 0.005 . 1 . . . . 143 ASN HN . 16451 1 509 . 1 1 143 143 ASN CA C 13 50.760 0.05 . 1 . . . . 143 ASN CA . 16451 1 510 . 1 1 143 143 ASN CB C 13 38.620 0.05 . 1 . . . . 143 ASN CB . 16451 1 511 . 1 1 143 143 ASN N N 15 123.840 0.05 . 1 . . . . 143 ASN N . 16451 1 512 . 1 1 144 144 ASP H H 1 9.210 0.005 . 1 . . . . 144 ASP HN . 16451 1 513 . 1 1 144 144 ASP CA C 13 52.210 0.05 . 1 . . . . 144 ASP CA . 16451 1 514 . 1 1 144 144 ASP CB C 13 43.610 0.05 . 1 . . . . 144 ASP CB . 16451 1 515 . 1 1 144 144 ASP N N 15 129.190 0.05 . 1 . . . . 144 ASP N . 16451 1 516 . 1 1 145 145 ALA H H 1 8.180 0.005 . 1 . . . . 145 ALA HN . 16451 1 517 . 1 1 145 145 ALA CA C 13 48.890 0.05 . 1 . . . . 145 ALA CA . 16451 1 518 . 1 1 145 145 ALA CB C 13 18.050 0.05 . 1 . . . . 145 ALA CB . 16451 1 519 . 1 1 145 145 ALA N N 15 125.780 0.05 . 1 . . . . 145 ALA N . 16451 1 520 . 1 1 146 146 PHE H H 1 9.440 0.005 . 1 . . . . 146 PHE HN . 16451 1 521 . 1 1 146 146 PHE CA C 13 62.020 0.05 . 1 . . . . 146 PHE CA . 16451 1 522 . 1 1 146 146 PHE CB C 13 39.010 0.05 . 1 . . . . 146 PHE CB . 16451 1 523 . 1 1 146 146 PHE N N 15 129.170 0.05 . 1 . . . . 146 PHE N . 16451 1 524 . 1 1 147 147 GLY H H 1 9.080 0.005 . 1 . . . . 147 GLY HN . 16451 1 525 . 1 1 147 147 GLY CA C 13 45.690 0.05 . 1 . . . . 147 GLY CA . 16451 1 526 . 1 1 147 147 GLY N N 15 101.000 0.05 . 1 . . . . 147 GLY N . 16451 1 527 . 1 1 148 148 ALA H H 1 7.450 0.005 . 1 . . . . 148 ALA HN . 16451 1 528 . 1 1 148 148 ALA CA C 13 50.230 0.05 . 1 . . . . 148 ALA CA . 16451 1 529 . 1 1 148 148 ALA CB C 13 19.400 0.05 . 1 . . . . 148 ALA CB . 16451 1 530 . 1 1 148 148 ALA N N 15 120.530 0.05 . 1 . . . . 148 ALA N . 16451 1 531 . 1 1 149 149 ALA H H 1 7.710 0.005 . 1 . . . . 149 ALA HN . 16451 1 532 . 1 1 149 149 ALA CA C 13 53.120 0.05 . 1 . . . . 149 ALA CA . 16451 1 533 . 1 1 149 149 ALA CB C 13 18.110 0.05 . 1 . . . . 149 ALA CB . 16451 1 534 . 1 1 149 149 ALA N N 15 121.340 0.05 . 1 . . . . 149 ALA N . 16451 1 535 . 1 1 150 150 HIS H H 1 10.200 0.005 . 1 . . . . 150 HIS HN . 16451 1 536 . 1 1 150 150 HIS CA C 13 56.390 0.05 . 1 . . . . 150 HIS CA . 16451 1 537 . 1 1 150 150 HIS CB C 13 28.920 0.05 . 1 . . . . 150 HIS CB . 16451 1 538 . 1 1 150 150 HIS N N 15 118.820 0.05 . 1 . . . . 150 HIS N . 16451 1 539 . 1 1 151 151 ARG H H 1 6.780 0.005 . 1 . . . . 151 ARG HN . 16451 1 540 . 1 1 151 151 ARG CA C 13 51.900 0.05 . 1 . . . . 151 ARG CA . 16451 1 541 . 1 1 151 151 ARG CB C 13 29.950 0.05 . 1 . . . . 151 ARG CB . 16451 1 542 . 1 1 151 151 ARG N N 15 122.080 0.05 . 1 . . . . 151 ARG N . 16451 1 543 . 1 1 152 152 ALA H H 1 8.530 0.005 . 1 . . . . 152 ALA HN . 16451 1 544 . 1 1 152 152 ALA CA C 13 50.650 0.05 . 1 . . . . 152 ALA CA . 16451 1 545 . 1 1 152 152 ALA CB C 13 16.360 0.05 . 1 . . . . 152 ALA CB . 16451 1 546 . 1 1 152 152 ALA N N 15 126.270 0.05 . 1 . . . . 152 ALA N . 16451 1 547 . 1 1 153 153 HIS H H 1 7.270 0.005 . 1 . . . . 153 HIS HN . 16451 1 548 . 1 1 153 153 HIS CA C 13 51.190 0.05 . 1 . . . . 153 HIS CA . 16451 1 549 . 1 1 153 153 HIS CB C 13 34.940 0.05 . 1 . . . . 153 HIS CB . 16451 1 550 . 1 1 153 153 HIS N N 15 125.440 0.05 . 1 . . . . 153 HIS N . 16451 1 551 . 1 1 154 154 ALA H H 1 9.200 0.005 . 1 . . . . 154 ALA HN . 16451 1 552 . 1 1 154 154 ALA CA C 13 57.290 0.05 . 1 . . . . 154 ALA CA . 16451 1 553 . 1 1 154 154 ALA CB C 13 16.430 0.05 . 1 . . . . 154 ALA CB . 16451 1 554 . 1 1 154 154 ALA N N 15 129.750 0.05 . 1 . . . . 154 ALA N . 16451 1 555 . 1 1 155 155 SER H H 1 10.330 0.005 . 1 . . . . 155 SER HN . 16451 1 556 . 1 1 155 155 SER CA C 13 60.690 0.05 . 1 . . . . 155 SER CA . 16451 1 557 . 1 1 155 155 SER CB C 13 63.080 0.05 . 1 . . . . 155 SER CB . 16451 1 558 . 1 1 155 155 SER N N 15 110.980 0.05 . 1 . . . . 155 SER N . 16451 1 559 . 1 1 156 156 THR H H 1 7.240 0.005 . 1 . . . . 156 THR HN . 16451 1 560 . 1 1 156 156 THR CA C 13 61.380 0.05 . 1 . . . . 156 THR CA . 16451 1 561 . 1 1 156 156 THR CB C 13 70.790 0.05 . 1 . . . . 156 THR CB . 16451 1 562 . 1 1 156 156 THR N N 15 111.840 0.05 . 1 . . . . 156 THR N . 16451 1 563 . 1 1 157 157 GLU H H 1 7.850 0.005 . 1 . . . . 157 GLU HN . 16451 1 564 . 1 1 157 157 GLU CA C 13 60.570 0.05 . 1 . . . . 157 GLU CA . 16451 1 565 . 1 1 157 157 GLU CB C 13 31.180 0.05 . 1 . . . . 157 GLU CB . 16451 1 566 . 1 1 157 157 GLU N N 15 122.780 0.05 . 1 . . . . 157 GLU N . 16451 1 567 . 1 1 158 158 GLY H H 1 7.960 0.005 . 1 . . . . 158 GLY HN . 16451 1 568 . 1 1 158 158 GLY CA C 13 49.200 0.05 . 1 . . . . 158 GLY CA . 16451 1 569 . 1 1 158 158 GLY N N 15 110.060 0.05 . 1 . . . . 158 GLY N . 16451 1 570 . 1 1 159 159 ILE H H 1 8.360 0.005 . 1 . . . . 159 ILE HN . 16451 1 571 . 1 1 159 159 ILE CA C 13 63.310 0.05 . 1 . . . . 159 ILE CA . 16451 1 572 . 1 1 159 159 ILE CB C 13 36.940 0.05 . 1 . . . . 159 ILE CB . 16451 1 573 . 1 1 159 159 ILE N N 15 120.440 0.05 . 1 . . . . 159 ILE N . 16451 1 574 . 1 1 160 160 ALA H H 1 6.650 0.005 . 1 . . . . 160 ALA HN . 16451 1 575 . 1 1 160 160 ALA CA C 13 52.440 0.05 . 1 . . . . 160 ALA CA . 16451 1 576 . 1 1 160 160 ALA CB C 13 17.920 0.05 . 1 . . . . 160 ALA CB . 16451 1 577 . 1 1 160 160 ALA N N 15 123.130 0.05 . 1 . . . . 160 ALA N . 16451 1 578 . 1 1 161 161 HIS H H 1 7.420 0.005 . 1 . . . . 161 HIS HN . 16451 1 579 . 1 1 161 161 HIS CA C 13 55.970 0.05 . 1 . . . . 161 HIS CA . 16451 1 580 . 1 1 161 161 HIS CB C 13 27.690 0.05 . 1 . . . . 161 HIS CB . 16451 1 581 . 1 1 161 161 HIS N N 15 113.920 0.05 . 1 . . . . 161 HIS N . 16451 1 582 . 1 1 162 162 TYR H H 1 7.670 0.005 . 1 . . . . 162 TYR HN . 16451 1 583 . 1 1 162 162 TYR CA C 13 58.270 0.05 . 1 . . . . 162 TYR CA . 16451 1 584 . 1 1 162 162 TYR CB C 13 40.820 0.05 . 1 . . . . 162 TYR CB . 16451 1 585 . 1 1 162 162 TYR N N 15 117.600 0.05 . 1 . . . . 162 TYR N . 16451 1 586 . 1 1 163 163 LEU H H 1 7.170 0.005 . 1 . . . . 163 LEU HN . 16451 1 587 . 1 1 163 163 LEU CA C 13 51.350 0.05 . 1 . . . . 163 LEU CA . 16451 1 588 . 1 1 163 163 LEU CB C 13 45.290 0.05 . 1 . . . . 163 LEU CB . 16451 1 589 . 1 1 163 163 LEU N N 15 120.620 0.05 . 1 . . . . 163 LEU N . 16451 1 590 . 1 1 165 165 ALA H H 1 7.610 0.005 . 1 . . . . 165 ALA HN . 16451 1 591 . 1 1 165 165 ALA CA C 13 50.580 0.05 . 1 . . . . 165 ALA CA . 16451 1 592 . 1 1 165 165 ALA CB C 13 22.700 0.05 . 1 . . . . 165 ALA CB . 16451 1 593 . 1 1 165 165 ALA N N 15 127.750 0.05 . 1 . . . . 165 ALA N . 16451 1 594 . 1 1 166 166 VAL H H 1 8.670 0.005 . 1 . . . . 166 VAL HN . 16451 1 595 . 1 1 166 166 VAL CA C 13 57.470 0.05 . 1 . . . . 166 VAL CA . 16451 1 596 . 1 1 166 166 VAL CB C 13 34.480 0.05 . 1 . . . . 166 VAL CB . 16451 1 597 . 1 1 166 166 VAL N N 15 114.430 0.05 . 1 . . . . 166 VAL N . 16451 1 598 . 1 1 167 167 ALA H H 1 8.990 0.005 . 1 . . . . 167 ALA HN . 16451 1 599 . 1 1 167 167 ALA CA C 13 50.800 0.05 . 1 . . . . 167 ALA CA . 16451 1 600 . 1 1 167 167 ALA CB C 13 19.400 0.05 . 1 . . . . 167 ALA CB . 16451 1 601 . 1 1 167 167 ALA N N 15 122.770 0.05 . 1 . . . . 167 ALA N . 16451 1 602 . 1 1 168 168 GLY H H 1 7.120 0.005 . 1 . . . . 168 GLY HN . 16451 1 603 . 1 1 168 168 GLY CA C 13 43.090 0.05 . 1 . . . . 168 GLY CA . 16451 1 604 . 1 1 168 168 GLY N N 15 104.870 0.05 . 1 . . . . 168 GLY N . 16451 1 605 . 1 1 169 169 PHE H H 1 6.920 0.005 . 1 . . . . 169 PHE HN . 16451 1 606 . 1 1 169 169 PHE CA C 13 58.020 0.05 . 1 . . . . 169 PHE CA . 16451 1 607 . 1 1 169 169 PHE CB C 13 37.530 0.05 . 1 . . . . 169 PHE CB . 16451 1 608 . 1 1 169 169 PHE N N 15 114.700 0.05 . 1 . . . . 169 PHE N . 16451 1 609 . 1 1 170 170 LEU H H 1 10.240 0.005 . 1 . . . . 170 LEU HN . 16451 1 610 . 1 1 170 170 LEU CA C 13 57.950 0.05 . 1 . . . . 170 LEU CA . 16451 1 611 . 1 1 170 170 LEU CB C 13 41.020 0.05 . 1 . . . . 170 LEU CB . 16451 1 612 . 1 1 170 170 LEU N N 15 128.940 0.05 . 1 . . . . 170 LEU N . 16451 1 613 . 1 1 171 171 MET H H 1 8.550 0.005 . 1 . . . . 171 MET HN . 16451 1 614 . 1 1 171 171 MET CA C 13 57.590 0.05 . 1 . . . . 171 MET CA . 16451 1 615 . 1 1 171 171 MET CB C 13 32.670 0.05 . 1 . . . . 171 MET CB . 16451 1 616 . 1 1 171 171 MET N N 15 121.530 0.05 . 1 . . . . 171 MET N . 16451 1 617 . 1 1 172 172 GLU H H 1 8.450 0.005 . 1 . . . . 172 GLU HN . 16451 1 618 . 1 1 172 172 GLU CA C 13 59.140 0.05 . 1 . . . . 172 GLU CA . 16451 1 619 . 1 1 172 172 GLU CB C 13 29.370 0.05 . 1 . . . . 172 GLU CB . 16451 1 620 . 1 1 172 172 GLU N N 15 117.560 0.05 . 1 . . . . 172 GLU N . 16451 1 621 . 1 1 173 173 LYS H H 1 7.260 0.005 . 1 . . . . 173 LYS HN . 16451 1 622 . 1 1 173 173 LYS CA C 13 58.590 0.05 . 1 . . . . 173 LYS CA . 16451 1 623 . 1 1 173 173 LYS CB C 13 31.310 0.05 . 1 . . . . 173 LYS CB . 16451 1 624 . 1 1 173 173 LYS N N 15 119.230 0.05 . 1 . . . . 173 LYS N . 16451 1 625 . 1 1 174 174 GLU H H 1 7.530 0.005 . 1 . . . . 174 GLU HN . 16451 1 626 . 1 1 174 174 GLU CA C 13 58.610 0.05 . 1 . . . . 174 GLU CA . 16451 1 627 . 1 1 174 174 GLU CB C 13 26.910 0.05 . 1 . . . . 174 GLU CB . 16451 1 628 . 1 1 174 174 GLU N N 15 116.600 0.05 . 1 . . . . 174 GLU N . 16451 1 629 . 1 1 175 175 LEU H H 1 7.650 0.005 . 1 . . . . 175 LEU HN . 16451 1 630 . 1 1 175 175 LEU CA C 13 56.940 0.05 . 1 . . . . 175 LEU CA . 16451 1 631 . 1 1 175 175 LEU CB C 13 40.240 0.05 . 1 . . . . 175 LEU CB . 16451 1 632 . 1 1 175 175 LEU N N 15 115.140 0.05 . 1 . . . . 175 LEU N . 16451 1 633 . 1 1 176 176 GLU H H 1 8.500 0.005 . 1 . . . . 176 GLU HN . 16451 1 634 . 1 1 176 176 GLU CA C 13 58.830 0.05 . 1 . . . . 176 GLU CA . 16451 1 635 . 1 1 176 176 GLU CB C 13 29.310 0.05 . 1 . . . . 176 GLU CB . 16451 1 636 . 1 1 176 176 GLU N N 15 121.380 0.05 . 1 . . . . 176 GLU N . 16451 1 637 . 1 1 177 177 VAL H H 1 8.050 0.005 . 1 . . . . 177 VAL HN . 16451 1 638 . 1 1 177 177 VAL CA C 13 65.950 0.05 . 1 . . . . 177 VAL CA . 16451 1 639 . 1 1 177 177 VAL CB C 13 31.310 0.05 . 1 . . . . 177 VAL CB . 16451 1 640 . 1 1 177 177 VAL N N 15 119.660 0.05 . 1 . . . . 177 VAL N . 16451 1 641 . 1 1 178 178 LEU H H 1 8.170 0.005 . 1 . . . . 178 LEU HN . 16451 1 642 . 1 1 178 178 LEU CA C 13 57.480 0.05 . 1 . . . . 178 LEU CA . 16451 1 643 . 1 1 178 178 LEU CB C 13 39.720 0.05 . 1 . . . . 178 LEU CB . 16451 1 644 . 1 1 178 178 LEU N N 15 118.290 0.05 . 1 . . . . 178 LEU N . 16451 1 645 . 1 1 179 179 GLY H H 1 7.440 0.005 . 1 . . . . 179 GLY HN . 16451 1 646 . 1 1 179 179 GLY CA C 13 46.670 0.05 . 1 . . . . 179 GLY CA . 16451 1 647 . 1 1 179 179 GLY N N 15 105.050 0.05 . 1 . . . . 179 GLY N . 16451 1 648 . 1 1 180 180 LYS H H 1 7.470 0.005 . 1 . . . . 180 LYS HN . 16451 1 649 . 1 1 180 180 LYS CA C 13 59.270 0.05 . 1 . . . . 180 LYS CA . 16451 1 650 . 1 1 180 180 LYS CB C 13 30.860 0.05 . 1 . . . . 180 LYS CB . 16451 1 651 . 1 1 180 180 LYS N N 15 124.330 0.05 . 1 . . . . 180 LYS N . 16451 1 652 . 1 1 181 181 ALA H H 1 7.350 0.005 . 1 . . . . 181 ALA HN . 16451 1 653 . 1 1 181 181 ALA CA C 13 54.280 0.05 . 1 . . . . 181 ALA CA . 16451 1 654 . 1 1 181 181 ALA CB C 13 16.300 0.05 . 1 . . . . 181 ALA CB . 16451 1 655 . 1 1 181 181 ALA N N 15 120.330 0.05 . 1 . . . . 181 ALA N . 16451 1 656 . 1 1 182 182 LEU H H 1 6.920 0.005 . 1 . . . . 182 LEU HN . 16451 1 657 . 1 1 182 182 LEU CA C 13 54.940 0.05 . 1 . . . . 182 LEU CA . 16451 1 658 . 1 1 182 182 LEU CB C 13 41.470 0.05 . 1 . . . . 182 LEU CB . 16451 1 659 . 1 1 182 182 LEU N N 15 108.250 0.05 . 1 . . . . 182 LEU N . 16451 1 660 . 1 1 183 183 SER H H 1 7.920 0.005 . 1 . . . . 183 SER HN . 16451 1 661 . 1 1 183 183 SER CA C 13 59.360 0.05 . 1 . . . . 183 SER CA . 16451 1 662 . 1 1 183 183 SER CB C 13 64.190 0.05 . 1 . . . . 183 SER CB . 16451 1 663 . 1 1 183 183 SER N N 15 113.590 0.05 . 1 . . . . 183 SER N . 16451 1 664 . 1 1 184 184 ASN H H 1 8.630 0.005 . 1 . . . . 184 ASN HN . 16451 1 665 . 1 1 184 184 ASN CA C 13 51.680 0.05 . 1 . . . . 184 ASN CA . 16451 1 666 . 1 1 184 184 ASN CB C 13 38.490 0.05 . 1 . . . . 184 ASN CB . 16451 1 667 . 1 1 184 184 ASN N N 15 121.280 0.05 . 1 . . . . 184 ASN N . 16451 1 668 . 1 1 186 186 ASP H H 1 6.570 0.005 . 1 . . . . 186 ASP HN . 16451 1 669 . 1 1 186 186 ASP CA C 13 54.200 0.05 . 1 . . . . 186 ASP CA . 16451 1 670 . 1 1 186 186 ASP CB C 13 41.540 0.05 . 1 . . . . 186 ASP CB . 16451 1 671 . 1 1 186 186 ASP N N 15 120.650 0.05 . 1 . . . . 186 ASP N . 16451 1 672 . 1 1 187 187 ARG H H 1 7.750 0.005 . 1 . . . . 187 ARG HN . 16451 1 673 . 1 1 187 187 ARG CB C 13 30.920 0.05 . 1 . . . . 187 ARG CB . 16451 1 674 . 1 1 187 187 ARG N N 15 116.220 0.05 . 1 . . . . 187 ARG N . 16451 1 675 . 1 1 189 189 PHE H H 1 11.030 0.005 . 1 . . . . 189 PHE HN . 16451 1 676 . 1 1 189 189 PHE CA C 13 53.000 0.05 . 1 . . . . 189 PHE CA . 16451 1 677 . 1 1 189 189 PHE CB C 13 38.750 0.05 . 1 . . . . 189 PHE CB . 16451 1 678 . 1 1 189 189 PHE N N 15 131.720 0.05 . 1 . . . . 189 PHE N . 16451 1 679 . 1 1 190 190 THR H H 1 9.640 0.005 . 1 . . . . 190 THR HN . 16451 1 680 . 1 1 190 190 THR CA C 13 60.470 0.05 . 1 . . . . 190 THR CA . 16451 1 681 . 1 1 190 190 THR CB C 13 70.980 0.05 . 1 . . . . 190 THR CB . 16451 1 682 . 1 1 190 190 THR N N 15 131.270 0.05 . 1 . . . . 190 THR N . 16451 1 683 . 1 1 191 191 ALA H H 1 8.090 0.005 . 1 . . . . 191 ALA HN . 16451 1 684 . 1 1 191 191 ALA CA C 13 49.010 0.05 . 1 . . . . 191 ALA CA . 16451 1 685 . 1 1 191 191 ALA CB C 13 21.930 0.05 . 1 . . . . 191 ALA CB . 16451 1 686 . 1 1 191 191 ALA N N 15 127.160 0.05 . 1 . . . . 191 ALA N . 16451 1 687 . 1 1 192 192 ILE H H 1 9.220 0.005 . 1 . . . . 192 ILE HN . 16451 1 688 . 1 1 192 192 ILE CA C 13 59.380 0.05 . 1 . . . . 192 ILE CA . 16451 1 689 . 1 1 192 192 ILE CB C 13 37.650 0.05 . 1 . . . . 192 ILE CB . 16451 1 690 . 1 1 192 192 ILE N N 15 123.710 0.05 . 1 . . . . 192 ILE N . 16451 1 691 . 1 1 193 193 ILE H H 1 9.090 0.005 . 1 . . . . 193 ILE HN . 16451 1 692 . 1 1 193 193 ILE CA C 13 57.160 0.05 . 1 . . . . 193 ILE CA . 16451 1 693 . 1 1 193 193 ILE CB C 13 36.940 0.05 . 1 . . . . 193 ILE CB . 16451 1 694 . 1 1 193 193 ILE N N 15 129.100 0.05 . 1 . . . . 193 ILE N . 16451 1 695 . 1 1 197 197 LYS H H 1 8.290 0.005 . 1 . . . . 197 LYS HN . 16451 1 696 . 1 1 197 197 LYS C C 13 177.000 0.05 . 1 . . . . 197 LYS CO . 16451 1 697 . 1 1 197 197 LYS CA C 13 54.500 0.05 . 1 . . . . 197 LYS CA . 16451 1 698 . 1 1 197 197 LYS N N 15 114.280 0.05 . 1 . . . . 197 LYS N . 16451 1 699 . 1 1 198 198 VAL H H 1 10.080 0.005 . 1 . . . . 198 VAL HN . 16451 1 700 . 1 1 198 198 VAL C C 13 179.390 0.05 . 1 . . . . 198 VAL CO . 16451 1 701 . 1 1 198 198 VAL CA C 13 65.530 0.05 . 1 . . . . 198 VAL CA . 16451 1 702 . 1 1 198 198 VAL CB C 13 31.000 0.05 . 1 . . . . 198 VAL CB . 16451 1 703 . 1 1 198 198 VAL N N 15 127.920 0.05 . 1 . . . . 198 VAL N . 16451 1 704 . 1 1 199 199 LYS H H 1 9.140 0.005 . 1 . . . . 199 LYS HN . 16451 1 705 . 1 1 199 199 LYS C C 13 176.910 0.05 . 1 . . . . 199 LYS CO . 16451 1 706 . 1 1 199 199 LYS CA C 13 59.170 0.05 . 1 . . . . 199 LYS CA . 16451 1 707 . 1 1 199 199 LYS CB C 13 31.250 0.05 . 1 . . . . 199 LYS CB . 16451 1 708 . 1 1 199 199 LYS N N 15 118.230 0.05 . 1 . . . . 199 LYS N . 16451 1 709 . 1 1 200 200 ASP H H 1 6.930 0.005 . 1 . . . . 200 ASP HN . 16451 1 710 . 1 1 200 200 ASP CA C 13 55.700 0.05 . 1 . . . . 200 ASP CA . 16451 1 711 . 1 1 200 200 ASP CB C 13 40.630 0.05 . 1 . . . . 200 ASP CB . 16451 1 712 . 1 1 200 200 ASP N N 15 116.300 0.05 . 1 . . . . 200 ASP N . 16451 1 713 . 1 1 201 201 LYS H H 1 7.750 0.005 . 1 . . . . 201 LYS HN . 16451 1 714 . 1 1 201 201 LYS CA C 13 53.520 0.05 . 1 . . . . 201 LYS CA . 16451 1 715 . 1 1 201 201 LYS CB C 13 32.220 0.05 . 1 . . . . 201 LYS CB . 16451 1 716 . 1 1 201 201 LYS N N 15 116.160 0.05 . 1 . . . . 201 LYS N . 16451 1 717 . 1 1 202 202 ILE H H 1 7.340 0.005 . 1 . . . . 202 ILE HN . 16451 1 718 . 1 1 202 202 ILE CA C 13 65.620 0.05 . 1 . . . . 202 ILE CA . 16451 1 719 . 1 1 202 202 ILE CB C 13 37.650 0.05 . 1 . . . . 202 ILE CB . 16451 1 720 . 1 1 202 202 ILE N N 15 120.000 0.05 . 1 . . . . 202 ILE N . 16451 1 721 . 1 1 203 203 GLY H H 1 8.370 0.005 . 1 . . . . 203 GLY HN . 16451 1 722 . 1 1 203 203 GLY CA C 13 46.690 0.05 . 1 . . . . 203 GLY CA . 16451 1 723 . 1 1 203 203 GLY N N 15 108.190 0.05 . 1 . . . . 203 GLY N . 16451 1 724 . 1 1 204 204 VAL H H 1 7.950 0.005 . 1 . . . . 204 VAL HN . 16451 1 725 . 1 1 204 204 VAL CA C 13 65.650 0.05 . 1 . . . . 204 VAL CA . 16451 1 726 . 1 1 204 204 VAL CB C 13 31.050 0.05 . 1 . . . . 204 VAL CB . 16451 1 727 . 1 1 204 204 VAL N N 15 124.160 0.05 . 1 . . . . 204 VAL N . 16451 1 728 . 1 1 205 205 ILE H H 1 8.070 0.005 . 1 . . . . 205 ILE HN . 16451 1 729 . 1 1 205 205 ILE CA C 13 66.300 0.05 . 1 . . . . 205 ILE CA . 16451 1 730 . 1 1 205 205 ILE CB C 13 36.940 0.05 . 1 . . . . 205 ILE CB . 16451 1 731 . 1 1 205 205 ILE N N 15 120.860 0.05 . 1 . . . . 205 ILE N . 16451 1 732 . 1 1 206 206 ASP H H 1 8.060 0.005 . 1 . . . . 206 ASP HN . 16451 1 733 . 1 1 206 206 ASP CA C 13 57.610 0.05 . 1 . . . . 206 ASP CA . 16451 1 734 . 1 1 206 206 ASP CB C 13 41.860 0.05 . 1 . . . . 206 ASP CB . 16451 1 735 . 1 1 206 206 ASP N N 15 117.260 0.05 . 1 . . . . 206 ASP N . 16451 1 736 . 1 1 207 207 ASN H H 1 7.600 0.005 . 1 . . . . 207 ASN HN . 16451 1 737 . 1 1 207 207 ASN CA C 13 55.970 0.05 . 1 . . . . 207 ASN CA . 16451 1 738 . 1 1 207 207 ASN CB C 13 39.530 0.05 . 1 . . . . 207 ASN CB . 16451 1 739 . 1 1 207 207 ASN N N 15 113.530 0.05 . 1 . . . . 207 ASN N . 16451 1 740 . 1 1 208 208 LEU H H 1 8.530 0.005 . 1 . . . . 208 LEU HN . 16451 1 741 . 1 1 208 208 LEU CA C 13 57.160 0.05 . 1 . . . . 208 LEU CA . 16451 1 742 . 1 1 208 208 LEU CB C 13 39.010 0.05 . 1 . . . . 208 LEU CB . 16451 1 743 . 1 1 208 208 LEU N N 15 116.550 0.05 . 1 . . . . 208 LEU N . 16451 1 744 . 1 1 209 209 LEU H H 1 8.310 0.005 . 1 . . . . 209 LEU HN . 16451 1 745 . 1 1 209 209 LEU CA C 13 57.920 0.05 . 1 . . . . 209 LEU CA . 16451 1 746 . 1 1 209 209 LEU CB C 13 41.600 0.05 . 1 . . . . 209 LEU CB . 16451 1 747 . 1 1 209 209 LEU N N 15 122.220 0.05 . 1 . . . . 209 LEU N . 16451 1 748 . 1 1 210 210 GLU H H 1 7.130 0.005 . 1 . . . . 210 GLU HN . 16451 1 749 . 1 1 210 210 GLU CA C 13 56.390 0.05 . 1 . . . . 210 GLU CA . 16451 1 750 . 1 1 210 210 GLU CB C 13 29.370 0.05 . 1 . . . . 210 GLU CB . 16451 1 751 . 1 1 210 210 GLU N N 15 112.450 0.05 . 1 . . . . 210 GLU N . 16451 1 752 . 1 1 211 211 LYS H H 1 7.830 0.005 . 1 . . . . 211 LYS HN . 16451 1 753 . 1 1 211 211 LYS CA C 13 56.160 0.05 . 1 . . . . 211 LYS CA . 16451 1 754 . 1 1 211 211 LYS CB C 13 36.490 0.05 . 1 . . . . 211 LYS CB . 16451 1 755 . 1 1 211 211 LYS N N 15 116.550 0.05 . 1 . . . . 211 LYS N . 16451 1 756 . 1 1 212 212 VAL H H 1 7.600 0.005 . 1 . . . . 212 VAL HN . 16451 1 757 . 1 1 212 212 VAL CA C 13 60.920 0.05 . 1 . . . . 212 VAL CA . 16451 1 758 . 1 1 212 212 VAL CB C 13 32.090 0.05 . 1 . . . . 212 VAL CB . 16451 1 759 . 1 1 212 212 VAL N N 15 111.010 0.05 . 1 . . . . 212 VAL N . 16451 1 760 . 1 1 213 213 ASP H H 1 9.210 0.005 . 1 . . . . 213 ASP HN . 16451 1 761 . 1 1 213 213 ASP CA C 13 56.930 0.05 . 1 . . . . 213 ASP CA . 16451 1 762 . 1 1 213 213 ASP CB C 13 43.480 0.05 . 1 . . . . 213 ASP CB . 16451 1 763 . 1 1 213 213 ASP N N 15 116.630 0.05 . 1 . . . . 213 ASP N . 16451 1 764 . 1 1 214 214 ASN H H 1 7.690 0.005 . 1 . . . . 214 ASN HN . 16451 1 765 . 1 1 214 214 ASN CA C 13 51.200 0.05 . 1 . . . . 214 ASN CA . 16451 1 766 . 1 1 214 214 ASN CB C 13 42.440 0.05 . 1 . . . . 214 ASN CB . 16451 1 767 . 1 1 214 214 ASN N N 15 114.520 0.05 . 1 . . . . 214 ASN N . 16451 1 768 . 1 1 215 215 LEU H H 1 9.120 0.005 . 1 . . . . 215 LEU HN . 16451 1 769 . 1 1 215 215 LEU CA C 13 53.320 0.05 . 1 . . . . 215 LEU CA . 16451 1 770 . 1 1 215 215 LEU CB C 13 44.380 0.05 . 1 . . . . 215 LEU CB . 16451 1 771 . 1 1 215 215 LEU N N 15 126.380 0.05 . 1 . . . . 215 LEU N . 16451 1 772 . 1 1 216 216 ILE H H 1 8.930 0.005 . 1 . . . . 216 ILE HN . 16451 1 773 . 1 1 216 216 ILE CA C 13 59.480 0.05 . 1 . . . . 216 ILE CA . 16451 1 774 . 1 1 216 216 ILE CB C 13 38.240 0.05 . 1 . . . . 216 ILE CB . 16451 1 775 . 1 1 216 216 ILE N N 15 127.070 0.05 . 1 . . . . 216 ILE N . 16451 1 776 . 1 1 217 217 ILE H H 1 7.900 0.005 . 1 . . . . 217 ILE HN . 16451 1 777 . 1 1 217 217 ILE C C 13 176.740 0.05 . 1 . . . . 217 ILE CO . 16451 1 778 . 1 1 217 217 ILE CA C 13 56.940 0.05 . 1 . . . . 217 ILE CA . 16451 1 779 . 1 1 217 217 ILE CB C 13 39.800 0.05 . 1 . . . . 217 ILE CB . 16451 1 780 . 1 1 217 217 ILE N N 15 121.660 0.05 . 1 . . . . 217 ILE N . 16451 1 781 . 1 1 218 218 GLY H H 1 8.340 0.005 . 1 . . . . 218 GLY HN . 16451 1 782 . 1 1 218 218 GLY C C 13 171.930 0.05 . 1 . . . . 218 GLY CO . 16451 1 783 . 1 1 218 218 GLY CA C 13 43.940 0.05 . 1 . . . . 218 GLY CA . 16451 1 784 . 1 1 218 218 GLY N N 15 111.660 0.05 . 1 . . . . 218 GLY N . 16451 1 785 . 1 1 219 219 GLY H H 1 6.900 0.005 . 1 . . . . 219 GLY HN . 16451 1 786 . 1 1 219 219 GLY CA C 13 46.330 0.05 . 1 . . . . 219 GLY CA . 16451 1 787 . 1 1 219 219 GLY N N 15 106.720 0.05 . 1 . . . . 219 GLY N . 16451 1 788 . 1 1 223 223 TYR H H 1 7.000 0.005 . 1 . . . . 223 TYR HN . 16451 1 789 . 1 1 223 223 TYR CA C 13 62.340 0.05 . 1 . . . . 223 TYR CA . 16451 1 790 . 1 1 223 223 TYR CB C 13 34.740 0.05 . 1 . . . . 223 TYR CB . 16451 1 791 . 1 1 223 223 TYR N N 15 116.080 0.05 . 1 . . . . 223 TYR N . 16451 1 792 . 1 1 224 224 THR H H 1 7.490 0.005 . 1 . . . . 224 THR HN . 16451 1 793 . 1 1 224 224 THR CA C 13 67.220 0.05 . 1 . . . . 224 THR CA . 16451 1 794 . 1 1 224 224 THR CB C 13 68.330 0.05 . 1 . . . . 224 THR CB . 16451 1 795 . 1 1 224 224 THR N N 15 119.790 0.05 . 1 . . . . 224 THR N . 16451 1 796 . 1 1 225 225 PHE H H 1 7.010 0.005 . 1 . . . . 225 PHE HN . 16451 1 797 . 1 1 225 225 PHE CA C 13 61.460 0.05 . 1 . . . . 225 PHE CA . 16451 1 798 . 1 1 225 225 PHE CB C 13 37.910 0.05 . 1 . . . . 225 PHE CB . 16451 1 799 . 1 1 225 225 PHE N N 15 120.430 0.05 . 1 . . . . 225 PHE N . 16451 1 800 . 1 1 226 226 VAL H H 1 8.240 0.005 . 1 . . . . 226 VAL HN . 16451 1 801 . 1 1 226 226 VAL CA C 13 66.740 0.05 . 1 . . . . 226 VAL CA . 16451 1 802 . 1 1 226 226 VAL CB C 13 31.570 0.05 . 1 . . . . 226 VAL CB . 16451 1 803 . 1 1 226 226 VAL N N 15 119.830 0.05 . 1 . . . . 226 VAL N . 16451 1 804 . 1 1 227 227 LYS H H 1 8.020 0.005 . 1 . . . . 227 LYS HN . 16451 1 805 . 1 1 227 227 LYS CA C 13 56.830 0.05 . 1 . . . . 227 LYS CA . 16451 1 806 . 1 1 227 227 LYS CB C 13 31.700 0.05 . 1 . . . . 227 LYS CB . 16451 1 807 . 1 1 227 227 LYS N N 15 121.650 0.05 . 1 . . . . 227 LYS N . 16451 1 808 . 1 1 228 228 ALA H H 1 7.750 0.005 . 1 . . . . 228 ALA HN . 16451 1 809 . 1 1 228 228 ALA CA C 13 54.210 0.05 . 1 . . . . 228 ALA CA . 16451 1 810 . 1 1 228 228 ALA CB C 13 17.660 0.05 . 1 . . . . 228 ALA CB . 16451 1 811 . 1 1 228 228 ALA N N 15 123.840 0.05 . 1 . . . . 228 ALA N . 16451 1 812 . 1 1 229 229 LEU H H 1 7.430 0.005 . 1 . . . . 229 LEU HN . 16451 1 813 . 1 1 229 229 LEU CA C 13 54.950 0.05 . 1 . . . . 229 LEU CA . 16451 1 814 . 1 1 229 229 LEU CB C 13 41.410 0.05 . 1 . . . . 229 LEU CB . 16451 1 815 . 1 1 229 229 LEU N N 15 117.740 0.05 . 1 . . . . 229 LEU N . 16451 1 816 . 1 1 230 230 GLY H H 1 7.860 0.005 . 1 . . . . 230 GLY HN . 16451 1 817 . 1 1 230 230 GLY CA C 13 44.260 0.05 . 1 . . . . 230 GLY CA . 16451 1 818 . 1 1 230 230 GLY N N 15 106.170 0.05 . 1 . . . . 230 GLY N . 16451 1 819 . 1 1 231 231 HIS H H 1 7.010 0.005 . 1 . . . . 231 HIS HN . 16451 1 820 . 1 1 231 231 HIS CA C 13 54.200 0.05 . 1 . . . . 231 HIS CA . 16451 1 821 . 1 1 231 231 HIS CB C 13 30.540 0.05 . 1 . . . . 231 HIS CB . 16451 1 822 . 1 1 231 231 HIS N N 15 121.070 0.05 . 1 . . . . 231 HIS N . 16451 1 823 . 1 1 232 232 ASP H H 1 8.550 0.005 . 1 . . . . 232 ASP HN . 16451 1 824 . 1 1 232 232 ASP CA C 13 54.390 0.05 . 1 . . . . 232 ASP CA . 16451 1 825 . 1 1 232 232 ASP CB C 13 41.800 0.05 . 1 . . . . 232 ASP CB . 16451 1 826 . 1 1 232 232 ASP N N 15 121.300 0.05 . 1 . . . . 232 ASP N . 16451 1 827 . 1 1 233 233 VAL H H 1 8.140 0.005 . 1 . . . . 233 VAL HN . 16451 1 828 . 1 1 233 233 VAL CA C 13 58.950 0.05 . 1 . . . . 233 VAL CA . 16451 1 829 . 1 1 233 233 VAL CB C 13 30.860 0.05 . 1 . . . . 233 VAL CB . 16451 1 830 . 1 1 233 233 VAL N N 15 110.560 0.05 . 1 . . . . 233 VAL N . 16451 1 831 . 1 1 234 234 GLY H H 1 8.560 0.005 . 1 . . . . 234 GLY HN . 16451 1 832 . 1 1 234 234 GLY CA C 13 48.120 0.05 . 1 . . . . 234 GLY CA . 16451 1 833 . 1 1 234 234 GLY N N 15 117.670 0.05 . 1 . . . . 234 GLY N . 16451 1 834 . 1 1 235 235 LYS H H 1 8.760 0.005 . 1 . . . . 235 LYS HN . 16451 1 835 . 1 1 235 235 LYS CA C 13 54.730 0.05 . 1 . . . . 235 LYS CA . 16451 1 836 . 1 1 235 235 LYS CB C 13 30.410 0.05 . 1 . . . . 235 LYS CB . 16451 1 837 . 1 1 235 235 LYS N N 15 127.650 0.05 . 1 . . . . 235 LYS N . 16451 1 838 . 1 1 236 236 SER H H 1 7.860 0.005 . 1 . . . . 236 SER HN . 16451 1 839 . 1 1 236 236 SER CA C 13 58.720 0.05 . 1 . . . . 236 SER CA . 16451 1 840 . 1 1 236 236 SER CB C 13 62.830 0.05 . 1 . . . . 236 SER CB . 16451 1 841 . 1 1 236 236 SER N N 15 116.140 0.05 . 1 . . . . 236 SER N . 16451 1 842 . 1 1 237 237 LEU H H 1 8.320 0.005 . 1 . . . . 237 LEU HN . 16451 1 843 . 1 1 237 237 LEU CA C 13 56.610 0.05 . 1 . . . . 237 LEU CA . 16451 1 844 . 1 1 237 237 LEU CB C 13 40.890 0.05 . 1 . . . . 237 LEU CB . 16451 1 845 . 1 1 237 237 LEU N N 15 124.370 0.05 . 1 . . . . 237 LEU N . 16451 1 846 . 1 1 238 238 LEU H H 1 7.600 0.005 . 1 . . . . 238 LEU HN . 16451 1 847 . 1 1 238 238 LEU CA C 13 54.170 0.05 . 1 . . . . 238 LEU CA . 16451 1 848 . 1 1 238 238 LEU CB C 13 44.120 0.05 . 1 . . . . 238 LEU CB . 16451 1 849 . 1 1 238 238 LEU N N 15 121.460 0.05 . 1 . . . . 238 LEU N . 16451 1 850 . 1 1 239 239 GLU H H 1 7.680 0.005 . 1 . . . . 239 GLU HN . 16451 1 851 . 1 1 239 239 GLU CA C 13 54.210 0.05 . 1 . . . . 239 GLU CA . 16451 1 852 . 1 1 239 239 GLU CB C 13 29.310 0.05 . 1 . . . . 239 GLU CB . 16451 1 853 . 1 1 239 239 GLU N N 15 126.400 0.05 . 1 . . . . 239 GLU N . 16451 1 854 . 1 1 240 240 GLU H H 1 9.030 0.005 . 1 . . . . 240 GLU HN . 16451 1 855 . 1 1 240 240 GLU CA C 13 59.500 0.05 . 1 . . . . 240 GLU CA . 16451 1 856 . 1 1 240 240 GLU CB C 13 28.980 0.05 . 1 . . . . 240 GLU CB . 16451 1 857 . 1 1 240 240 GLU N N 15 125.750 0.05 . 1 . . . . 240 GLU N . 16451 1 858 . 1 1 241 241 ASP H H 1 8.830 0.005 . 1 . . . . 241 ASP HN . 16451 1 859 . 1 1 241 241 ASP CA C 13 54.190 0.05 . 1 . . . . 241 ASP CA . 16451 1 860 . 1 1 241 241 ASP CB C 13 39.010 0.05 . 1 . . . . 241 ASP CB . 16451 1 861 . 1 1 241 241 ASP N N 15 116.150 0.05 . 1 . . . . 241 ASP N . 16451 1 862 . 1 1 242 242 LYS H H 1 7.850 0.005 . 1 . . . . 242 LYS HN . 16451 1 863 . 1 1 242 242 LYS CA C 13 53.730 0.05 . 1 . . . . 242 LYS CA . 16451 1 864 . 1 1 242 242 LYS CB C 13 31.760 0.05 . 1 . . . . 242 LYS CB . 16451 1 865 . 1 1 242 242 LYS N N 15 118.570 0.05 . 1 . . . . 242 LYS N . 16451 1 866 . 1 1 243 243 ILE H H 1 7.200 0.005 . 1 . . . . 243 ILE HN . 16451 1 867 . 1 1 243 243 ILE CA C 13 65.280 0.05 . 1 . . . . 243 ILE CA . 16451 1 868 . 1 1 243 243 ILE CB C 13 36.810 0.05 . 1 . . . . 243 ILE CB . 16451 1 869 . 1 1 243 243 ILE N N 15 123.470 0.05 . 1 . . . . 243 ILE N . 16451 1 870 . 1 1 244 244 GLU H H 1 8.310 0.005 . 1 . . . . 244 GLU HN . 16451 1 871 . 1 1 244 244 GLU CA C 13 58.950 0.05 . 1 . . . . 244 GLU CA . 16451 1 872 . 1 1 244 244 GLU CB C 13 27.620 0.05 . 1 . . . . 244 GLU CB . 16451 1 873 . 1 1 244 244 GLU N N 15 119.070 0.05 . 1 . . . . 244 GLU N . 16451 1 874 . 1 1 245 245 LEU H H 1 7.490 0.005 . 1 . . . . 245 LEU HN . 16451 1 875 . 1 1 245 245 LEU CA C 13 56.730 0.05 . 1 . . . . 245 LEU CA . 16451 1 876 . 1 1 245 245 LEU CB C 13 40.240 0.05 . 1 . . . . 245 LEU CB . 16451 1 877 . 1 1 245 245 LEU N N 15 123.490 0.05 . 1 . . . . 245 LEU N . 16451 1 878 . 1 1 246 246 ALA H H 1 8.040 0.005 . 1 . . . . 246 ALA HN . 16451 1 879 . 1 1 246 246 ALA CA C 13 55.210 0.05 . 1 . . . . 246 ALA CA . 16451 1 880 . 1 1 246 246 ALA CB C 13 15.200 0.05 . 1 . . . . 246 ALA CB . 16451 1 881 . 1 1 246 246 ALA N N 15 122.950 0.05 . 1 . . . . 246 ALA N . 16451 1 882 . 1 1 247 247 LYS H H 1 7.860 0.005 . 1 . . . . 247 LYS HN . 16451 1 883 . 1 1 247 247 LYS CA C 13 59.890 0.05 . 1 . . . . 247 LYS CA . 16451 1 884 . 1 1 247 247 LYS CB C 13 31.440 0.05 . 1 . . . . 247 LYS CB . 16451 1 885 . 1 1 247 247 LYS N N 15 117.820 0.05 . 1 . . . . 247 LYS N . 16451 1 886 . 1 1 248 248 SER H H 1 8.010 0.005 . 1 . . . . 248 SER HN . 16451 1 887 . 1 1 248 248 SER CA C 13 61.330 0.05 . 1 . . . . 248 SER CA . 16451 1 888 . 1 1 248 248 SER CB C 13 62.310 0.05 . 1 . . . . 248 SER CB . 16451 1 889 . 1 1 248 248 SER N N 15 117.370 0.05 . 1 . . . . 248 SER N . 16451 1 890 . 1 1 249 249 PHE H H 1 8.450 0.005 . 1 . . . . 249 PHE HN . 16451 1 891 . 1 1 249 249 PHE CA C 13 58.810 0.05 . 1 . . . . 249 PHE CA . 16451 1 892 . 1 1 249 249 PHE CB C 13 37.520 0.05 . 1 . . . . 249 PHE CB . 16451 1 893 . 1 1 249 249 PHE N N 15 123.400 0.05 . 1 . . . . 249 PHE N . 16451 1 894 . 1 1 250 250 MET H H 1 7.830 0.005 . 1 . . . . 250 MET HN . 16451 1 895 . 1 1 250 250 MET CA C 13 60.010 0.05 . 1 . . . . 250 MET CA . 16451 1 896 . 1 1 250 250 MET CB C 13 32.010 0.05 . 1 . . . . 250 MET CB . 16451 1 897 . 1 1 250 250 MET N N 15 119.080 0.05 . 1 . . . . 250 MET N . 16451 1 898 . 1 1 251 251 GLU H H 1 8.090 0.005 . 1 . . . . 251 GLU HN . 16451 1 899 . 1 1 251 251 GLU CA C 13 58.810 0.05 . 1 . . . . 251 GLU CA . 16451 1 900 . 1 1 251 251 GLU CB C 13 28.590 0.05 . 1 . . . . 251 GLU CB . 16451 1 901 . 1 1 251 251 GLU N N 15 121.610 0.05 . 1 . . . . 251 GLU N . 16451 1 902 . 1 1 252 252 LYS H H 1 8.450 0.005 . 1 . . . . 252 LYS HN . 16451 1 903 . 1 1 252 252 LYS CA C 13 59.020 0.05 . 1 . . . . 252 LYS CA . 16451 1 904 . 1 1 252 252 LYS CB C 13 31.310 0.05 . 1 . . . . 252 LYS CB . 16451 1 905 . 1 1 252 252 LYS N N 15 123.310 0.05 . 1 . . . . 252 LYS N . 16451 1 906 . 1 1 253 253 ALA H H 1 8.200 0.005 . 1 . . . . 253 ALA HN . 16451 1 907 . 1 1 253 253 ALA CA C 13 55.290 0.05 . 1 . . . . 253 ALA CA . 16451 1 908 . 1 1 253 253 ALA CB C 13 16.560 0.05 . 1 . . . . 253 ALA CB . 16451 1 909 . 1 1 253 253 ALA N N 15 120.440 0.05 . 1 . . . . 253 ALA N . 16451 1 910 . 1 1 254 254 LYS H H 1 7.290 0.005 . 1 . . . . 254 LYS HN . 16451 1 911 . 1 1 254 254 LYS CA C 13 59.040 0.05 . 1 . . . . 254 LYS CA . 16451 1 912 . 1 1 254 254 LYS CB C 13 31.310 0.05 . 1 . . . . 254 LYS CB . 16451 1 913 . 1 1 254 254 LYS N N 15 117.990 0.05 . 1 . . . . 254 LYS N . 16451 1 914 . 1 1 255 255 GLU H H 1 8.190 0.005 . 1 . . . . 255 GLU HN . 16451 1 915 . 1 1 255 255 GLU CA C 13 58.820 0.05 . 1 . . . . 255 GLU CA . 16451 1 916 . 1 1 255 255 GLU CB C 13 29.110 0.05 . 1 . . . . 255 GLU CB . 16451 1 917 . 1 1 255 255 GLU N N 15 121.900 0.05 . 1 . . . . 255 GLU N . 16451 1 918 . 1 1 256 256 LYS H H 1 8.010 0.005 . 1 . . . . 256 LYS HN . 16451 1 919 . 1 1 256 256 LYS CA C 13 55.190 0.05 . 1 . . . . 256 LYS CA . 16451 1 920 . 1 1 256 256 LYS CB C 13 32.280 0.05 . 1 . . . . 256 LYS CB . 16451 1 921 . 1 1 256 256 LYS N N 15 116.570 0.05 . 1 . . . . 256 LYS N . 16451 1 922 . 1 1 257 257 GLY H H 1 7.770 0.005 . 1 . . . . 257 GLY HN . 16451 1 923 . 1 1 257 257 GLY CA C 13 45.730 0.05 . 1 . . . . 257 GLY CA . 16451 1 924 . 1 1 257 257 GLY N N 15 109.410 0.05 . 1 . . . . 257 GLY N . 16451 1 925 . 1 1 258 258 VAL H H 1 8.260 0.005 . 1 . . . . 258 VAL HN . 16451 1 926 . 1 1 258 258 VAL CA C 13 61.560 0.05 . 1 . . . . 258 VAL CA . 16451 1 927 . 1 1 258 258 VAL CB C 13 32.990 0.05 . 1 . . . . 258 VAL CB . 16451 1 928 . 1 1 258 258 VAL N N 15 123.770 0.05 . 1 . . . . 258 VAL N . 16451 1 929 . 1 1 259 259 ARG H H 1 7.900 0.005 . 1 . . . . 259 ARG HN . 16451 1 930 . 1 1 259 259 ARG CA C 13 56.500 0.05 . 1 . . . . 259 ARG CA . 16451 1 931 . 1 1 259 259 ARG CB C 13 28.850 0.05 . 1 . . . . 259 ARG CB . 16451 1 932 . 1 1 259 259 ARG N N 15 129.060 0.05 . 1 . . . . 259 ARG N . 16451 1 933 . 1 1 260 260 PHE H H 1 8.050 0.005 . 1 . . . . 260 PHE HN . 16451 1 934 . 1 1 260 260 PHE CA C 13 56.050 0.05 . 1 . . . . 260 PHE CA . 16451 1 935 . 1 1 260 260 PHE CB C 13 41.670 0.05 . 1 . . . . 260 PHE CB . 16451 1 936 . 1 1 260 260 PHE N N 15 129.830 0.05 . 1 . . . . 260 PHE N . 16451 1 937 . 1 1 261 261 TYR H H 1 8.920 0.005 . 1 . . . . 261 TYR HN . 16451 1 938 . 1 1 261 261 TYR CA C 13 57.500 0.05 . 1 . . . . 261 TYR CA . 16451 1 939 . 1 1 261 261 TYR CB C 13 40.570 0.05 . 1 . . . . 261 TYR CB . 16451 1 940 . 1 1 261 261 TYR N N 15 128.380 0.05 . 1 . . . . 261 TYR N . 16451 1 941 . 1 1 262 262 MET H H 1 7.880 0.005 . 1 . . . . 262 MET HN . 16451 1 942 . 1 1 262 262 MET CA C 13 52.760 0.05 . 1 . . . . 262 MET CA . 16451 1 943 . 1 1 262 262 MET CB C 13 34.090 0.05 . 1 . . . . 262 MET CB . 16451 1 944 . 1 1 262 262 MET N N 15 119.670 0.05 . 1 . . . . 262 MET N . 16451 1 945 . 1 1 264 264 VAL H H 1 7.960 0.005 . 1 . . . . 264 VAL HN . 16451 1 946 . 1 1 264 264 VAL CA C 13 60.150 0.05 . 1 . . . . 264 VAL CA . 16451 1 947 . 1 1 264 264 VAL CB C 13 31.510 0.05 . 1 . . . . 264 VAL CB . 16451 1 948 . 1 1 264 264 VAL N N 15 113.380 0.05 . 1 . . . . 264 VAL N . 16451 1 949 . 1 1 266 266 VAL H H 1 9.040 0.005 . 1 . . . . 266 VAL HN . 16451 1 950 . 1 1 266 266 VAL CA C 13 59.370 0.05 . 1 . . . . 266 VAL CA . 16451 1 951 . 1 1 266 266 VAL CB C 13 36.230 0.05 . 1 . . . . 266 VAL CB . 16451 1 952 . 1 1 266 266 VAL N N 15 114.310 0.05 . 1 . . . . 266 VAL N . 16451 1 953 . 1 1 267 267 VAL H H 1 8.350 0.005 . 1 . . . . 267 VAL HN . 16451 1 954 . 1 1 267 267 VAL CA C 13 61.480 0.05 . 1 . . . . 267 VAL CA . 16451 1 955 . 1 1 267 267 VAL CB C 13 31.760 0.05 . 1 . . . . 267 VAL CB . 16451 1 956 . 1 1 267 267 VAL N N 15 122.450 0.05 . 1 . . . . 267 VAL N . 16451 1 957 . 1 1 268 268 VAL H H 1 9.270 0.005 . 1 . . . . 268 VAL HN . 16451 1 958 . 1 1 268 268 VAL CA C 13 56.930 0.05 . 1 . . . . 268 VAL CA . 16451 1 959 . 1 1 268 268 VAL CB C 13 33.320 0.05 . 1 . . . . 268 VAL CB . 16451 1 960 . 1 1 268 268 VAL N N 15 119.900 0.05 . 1 . . . . 268 VAL N . 16451 1 961 . 1 1 269 269 ALA H H 1 8.940 0.005 . 1 . . . . 269 ALA HN . 16451 1 962 . 1 1 269 269 ALA CA C 13 49.660 0.05 . 1 . . . . 269 ALA CA . 16451 1 963 . 1 1 269 269 ALA CB C 13 24.770 0.05 . 1 . . . . 269 ALA CB . 16451 1 964 . 1 1 269 269 ALA N N 15 123.630 0.05 . 1 . . . . 269 ALA N . 16451 1 965 . 1 1 270 270 ASP H H 1 8.520 0.005 . 1 . . . . 270 ASP HN . 16451 1 966 . 1 1 270 270 ASP CA C 13 53.960 0.05 . 1 . . . . 270 ASP CA . 16451 1 967 . 1 1 270 270 ASP CB C 13 38.750 0.05 . 1 . . . . 270 ASP CB . 16451 1 968 . 1 1 270 270 ASP N N 15 122.050 0.05 . 1 . . . . 270 ASP N . 16451 1 969 . 1 1 271 271 ARG H H 1 7.410 0.005 . 1 . . . . 271 ARG HN . 16451 1 970 . 1 1 271 271 ARG CA C 13 54.170 0.05 . 1 . . . . 271 ARG CA . 16451 1 971 . 1 1 271 271 ARG CB C 13 32.350 0.05 . 1 . . . . 271 ARG CB . 16451 1 972 . 1 1 271 271 ARG N N 15 118.100 0.05 . 1 . . . . 271 ARG N . 16451 1 973 . 1 1 273 273 ALA H H 1 7.490 0.005 . 1 . . . . 273 ALA HN . 16451 1 974 . 1 1 273 273 ALA CA C 13 51.650 0.05 . 1 . . . . 273 ALA CA . 16451 1 975 . 1 1 273 273 ALA CB C 13 21.670 0.05 . 1 . . . . 273 ALA CB . 16451 1 976 . 1 1 273 273 ALA N N 15 125.120 0.05 . 1 . . . . 273 ALA N . 16451 1 977 . 1 1 275 275 ASP H H 1 8.160 0.005 . 1 . . . . 275 ASP HN . 16451 1 978 . 1 1 275 275 ASP CA C 13 51.760 0.05 . 1 . . . . 275 ASP CA . 16451 1 979 . 1 1 275 275 ASP CB C 13 38.690 0.05 . 1 . . . . 275 ASP CB . 16451 1 980 . 1 1 275 275 ASP N N 15 115.230 0.05 . 1 . . . . 275 ASP N . 16451 1 981 . 1 1 276 276 ALA H H 1 6.940 0.005 . 1 . . . . 276 ALA HN . 16451 1 982 . 1 1 276 276 ALA CA C 13 51.860 0.05 . 1 . . . . 276 ALA CA . 16451 1 983 . 1 1 276 276 ALA CB C 13 20.700 0.05 . 1 . . . . 276 ALA CB . 16451 1 984 . 1 1 276 276 ALA N N 15 120.600 0.05 . 1 . . . . 276 ALA N . 16451 1 985 . 1 1 277 277 ASN H H 1 8.710 0.005 . 1 . . . . 277 ASN HN . 16451 1 986 . 1 1 277 277 ASN CA C 13 54.060 0.05 . 1 . . . . 277 ASN CA . 16451 1 987 . 1 1 277 277 ASN CB C 13 38.620 0.05 . 1 . . . . 277 ASN CB . 16451 1 988 . 1 1 277 277 ASN N N 15 120.900 0.05 . 1 . . . . 277 ASN N . 16451 1 989 . 1 1 278 278 THR H H 1 8.160 0.005 . 1 . . . . 278 THR HN . 16451 1 990 . 1 1 278 278 THR CA C 13 58.920 0.05 . 1 . . . . 278 THR CA . 16451 1 991 . 1 1 278 278 THR CB C 13 72.530 0.05 . 1 . . . . 278 THR CB . 16451 1 992 . 1 1 278 278 THR N N 15 113.830 0.05 . 1 . . . . 278 THR N . 16451 1 993 . 1 1 279 279 LYS H H 1 8.610 0.005 . 1 . . . . 279 LYS HN . 16451 1 994 . 1 1 279 279 LYS CA C 13 54.840 0.05 . 1 . . . . 279 LYS CA . 16451 1 995 . 1 1 279 279 LYS CB C 13 35.580 0.05 . 1 . . . . 279 LYS CB . 16451 1 996 . 1 1 279 279 LYS N N 15 118.230 0.05 . 1 . . . . 279 LYS N . 16451 1 997 . 1 1 280 280 VAL H H 1 8.320 0.005 . 1 . . . . 280 VAL HN . 16451 1 998 . 1 1 280 280 VAL CA C 13 61.250 0.05 . 1 . . . . 280 VAL CA . 16451 1 999 . 1 1 280 280 VAL CB C 13 31.570 0.05 . 1 . . . . 280 VAL CB . 16451 1 1000 . 1 1 280 280 VAL N N 15 122.720 0.05 . 1 . . . . 280 VAL N . 16451 1 1001 . 1 1 281 281 VAL H H 1 8.700 0.005 . 1 . . . . 281 VAL HN . 16451 1 1002 . 1 1 281 281 VAL CA C 13 56.620 0.05 . 1 . . . . 281 VAL CA . 16451 1 1003 . 1 1 281 281 VAL CB C 13 33.060 0.05 . 1 . . . . 281 VAL CB . 16451 1 1004 . 1 1 281 281 VAL N N 15 120.500 0.05 . 1 . . . . 281 VAL N . 16451 1 1005 . 1 1 283 283 ILE H H 1 6.960 0.005 . 1 . . . . 283 ILE HN . 16451 1 1006 . 1 1 283 283 ILE CA C 13 60.920 0.05 . 1 . . . . 283 ILE CA . 16451 1 1007 . 1 1 283 283 ILE CB C 13 38.760 0.05 . 1 . . . . 283 ILE CB . 16451 1 1008 . 1 1 283 283 ILE N N 15 116.390 0.05 . 1 . . . . 283 ILE N . 16451 1 1009 . 1 1 284 284 ASP H H 1 7.630 0.005 . 1 . . . . 284 ASP HN . 16451 1 1010 . 1 1 284 284 ASP CA C 13 52.210 0.05 . 1 . . . . 284 ASP CA . 16451 1 1011 . 1 1 284 284 ASP CB C 13 39.140 0.05 . 1 . . . . 284 ASP CB . 16451 1 1012 . 1 1 284 284 ASP N N 15 115.810 0.05 . 1 . . . . 284 ASP N . 16451 1 1013 . 1 1 285 285 ALA H H 1 7.700 0.005 . 1 . . . . 285 ALA HN . 16451 1 1014 . 1 1 285 285 ALA CA C 13 50.200 0.05 . 1 . . . . 285 ALA CA . 16451 1 1015 . 1 1 285 285 ALA CB C 13 18.760 0.05 . 1 . . . . 285 ALA CB . 16451 1 1016 . 1 1 285 285 ALA N N 15 125.770 0.05 . 1 . . . . 285 ALA N . 16451 1 1017 . 1 1 286 286 ILE H H 1 8.710 0.005 . 1 . . . . 286 ILE HN . 16451 1 1018 . 1 1 286 286 ILE CA C 13 61.010 0.05 . 1 . . . . 286 ILE CA . 16451 1 1019 . 1 1 286 286 ILE CB C 13 36.880 0.05 . 1 . . . . 286 ILE CB . 16451 1 1020 . 1 1 286 286 ILE N N 15 124.600 0.05 . 1 . . . . 286 ILE N . 16451 1 1021 . 1 1 288 288 ALA H H 1 8.100 0.005 . 1 . . . . 288 ALA HN . 16451 1 1022 . 1 1 288 288 ALA C C 13 178.220 0.05 . 1 . . . . 288 ALA CO . 16451 1 1023 . 1 1 288 288 ALA CA C 13 54.430 0.05 . 1 . . . . 288 ALA CA . 16451 1 1024 . 1 1 288 288 ALA CB C 13 18.360 0.05 . 1 . . . . 288 ALA CB . 16451 1 1025 . 1 1 288 288 ALA N N 15 122.700 0.05 . 1 . . . . 288 ALA N . 16451 1 1026 . 1 1 289 289 ASP H H 1 8.640 0.005 . 1 . . . . 289 ASP HN . 16451 1 1027 . 1 1 289 289 ASP CA C 13 53.310 0.05 . 1 . . . . 289 ASP CA . 16451 1 1028 . 1 1 289 289 ASP CB C 13 39.140 0.05 . 1 . . . . 289 ASP CB . 16451 1 1029 . 1 1 289 289 ASP N N 15 111.330 0.05 . 1 . . . . 289 ASP N . 16451 1 1030 . 1 1 290 290 TYR H H 1 7.840 0.005 . 1 . . . . 290 TYR HN . 16451 1 1031 . 1 1 290 290 TYR CA C 13 56.380 0.05 . 1 . . . . 290 TYR CA . 16451 1 1032 . 1 1 290 290 TYR CB C 13 40.700 0.05 . 1 . . . . 290 TYR CB . 16451 1 1033 . 1 1 290 290 TYR N N 15 121.180 0.05 . 1 . . . . 290 TYR N . 16451 1 1034 . 1 1 291 291 SER H H 1 8.640 0.005 . 1 . . . . 291 SER HN . 16451 1 1035 . 1 1 291 291 SER CA C 13 56.280 0.05 . 1 . . . . 291 SER CA . 16451 1 1036 . 1 1 291 291 SER CB C 13 64.900 0.05 . 1 . . . . 291 SER CB . 16451 1 1037 . 1 1 291 291 SER N N 15 113.250 0.05 . 1 . . . . 291 SER N . 16451 1 1038 . 1 1 292 292 ALA H H 1 8.610 0.005 . 1 . . . . 292 ALA HN . 16451 1 1039 . 1 1 292 292 ALA CA C 13 51.680 0.05 . 1 . . . . 292 ALA CA . 16451 1 1040 . 1 1 292 292 ALA CB C 13 16.560 0.05 . 1 . . . . 292 ALA CB . 16451 1 1041 . 1 1 292 292 ALA N N 15 128.550 0.05 . 1 . . . . 292 ALA N . 16451 1 1042 . 1 1 293 293 LEU H H 1 8.050 0.005 . 1 . . . . 293 LEU HN . 16451 1 1043 . 1 1 293 293 LEU CA C 13 54.610 0.05 . 1 . . . . 293 LEU CA . 16451 1 1044 . 1 1 293 293 LEU CB C 13 42.310 0.05 . 1 . . . . 293 LEU CB . 16451 1 1045 . 1 1 293 293 LEU N N 15 125.830 0.05 . 1 . . . . 293 LEU N . 16451 1 1046 . 1 1 294 294 ASP H H 1 7.900 0.005 . 1 . . . . 294 ASP HN . 16451 1 1047 . 1 1 294 294 ASP CA C 13 53.300 0.05 . 1 . . . . 294 ASP CA . 16451 1 1048 . 1 1 294 294 ASP CB C 13 42.960 0.05 . 1 . . . . 294 ASP CB . 16451 1 1049 . 1 1 294 294 ASP N N 15 114.010 0.05 . 1 . . . . 294 ASP N . 16451 1 1050 . 1 1 295 295 ILE H H 1 8.660 0.005 . 1 . . . . 295 ILE HN . 16451 1 1051 . 1 1 295 295 ILE CA C 13 61.470 0.05 . 1 . . . . 295 ILE CA . 16451 1 1052 . 1 1 295 295 ILE CB C 13 38.170 0.05 . 1 . . . . 295 ILE CB . 16451 1 1053 . 1 1 295 295 ILE N N 15 116.000 0.05 . 1 . . . . 295 ILE N . 16451 1 1054 . 1 1 296 296 GLY H H 1 8.030 0.005 . 1 . . . . 296 GLY HN . 16451 1 1055 . 1 1 296 296 GLY CA C 13 44.930 0.05 . 1 . . . . 296 GLY CA . 16451 1 1056 . 1 1 296 296 GLY N N 15 111.910 0.05 . 1 . . . . 296 GLY N . 16451 1 1057 . 1 1 298 298 LYS H H 1 10.360 0.005 . 1 . . . . 298 LYS HN . 16451 1 1058 . 1 1 298 298 LYS CA C 13 58.900 0.05 . 1 . . . . 298 LYS CA . 16451 1 1059 . 1 1 298 298 LYS CB C 13 30.340 0.05 . 1 . . . . 298 LYS CB . 16451 1 1060 . 1 1 298 298 LYS N N 15 124.280 0.05 . 1 . . . . 298 LYS N . 16451 1 1061 . 1 1 299 299 THR H H 1 9.170 0.005 . 1 . . . . 299 THR HN . 16451 1 1062 . 1 1 299 299 THR CA C 13 67.080 0.05 . 1 . . . . 299 THR CA . 16451 1 1063 . 1 1 299 299 THR CB C 13 67.690 0.05 . 1 . . . . 299 THR CB . 16451 1 1064 . 1 1 299 299 THR N N 15 121.610 0.05 . 1 . . . . 299 THR N . 16451 1 1065 . 1 1 300 300 ARG H H 1 7.830 0.005 . 1 . . . . 300 ARG HN . 16451 1 1066 . 1 1 300 300 ARG CA C 13 59.790 0.05 . 1 . . . . 300 ARG CA . 16451 1 1067 . 1 1 300 300 ARG CB C 13 30.340 0.05 . 1 . . . . 300 ARG CB . 16451 1 1068 . 1 1 300 300 ARG N N 15 119.780 0.05 . 1 . . . . 300 ARG N . 16451 1 1069 . 1 1 301 301 GLU H H 1 7.160 0.005 . 1 . . . . 301 GLU HN . 16451 1 1070 . 1 1 301 301 GLU CA C 13 59.150 0.05 . 1 . . . . 301 GLU CA . 16451 1 1071 . 1 1 301 301 GLU CB C 13 28.980 0.05 . 1 . . . . 301 GLU CB . 16451 1 1072 . 1 1 301 301 GLU N N 15 118.860 0.05 . 1 . . . . 301 GLU N . 16451 1 1073 . 1 1 302 302 LEU H H 1 7.640 0.005 . 1 . . . . 302 LEU HN . 16451 1 1074 . 1 1 302 302 LEU C C 13 178.750 0.05 . 1 . . . . 302 LEU CO . 16451 1 1075 . 1 1 302 302 LEU CA C 13 57.400 0.05 . 1 . . . . 302 LEU CA . 16451 1 1076 . 1 1 302 302 LEU CB C 13 41.340 0.05 . 1 . . . . 302 LEU CB . 16451 1 1077 . 1 1 302 302 LEU N N 15 121.980 0.05 . 1 . . . . 302 LEU N . 16451 1 1078 . 1 1 303 303 TYR H H 1 8.680 0.005 . 1 . . . . 303 TYR HN . 16451 1 1079 . 1 1 303 303 TYR C C 13 178.170 0.05 . 1 . . . . 303 TYR CO . 16451 1 1080 . 1 1 303 303 TYR CA C 13 57.290 0.05 . 1 . . . . 303 TYR CA . 16451 1 1081 . 1 1 303 303 TYR CB C 13 34.220 0.05 . 1 . . . . 303 TYR CB . 16451 1 1082 . 1 1 303 303 TYR N N 15 117.900 0.05 . 1 . . . . 303 TYR N . 16451 1 1083 . 1 1 304 304 ARG H H 1 7.840 0.005 . 1 . . . . 304 ARG HN . 16451 1 1084 . 1 1 304 304 ARG CA C 13 59.570 0.05 . 1 . . . . 304 ARG CA . 16451 1 1085 . 1 1 304 304 ARG CB C 13 28.720 0.05 . 1 . . . . 304 ARG CB . 16451 1 1086 . 1 1 304 304 ARG N N 15 120.290 0.05 . 1 . . . . 304 ARG N . 16451 1 1087 . 1 1 305 305 ASP H H 1 7.700 0.005 . 1 . . . . 305 ASP HN . 16451 1 1088 . 1 1 305 305 ASP CA C 13 57.380 0.05 . 1 . . . . 305 ASP CA . 16451 1 1089 . 1 1 305 305 ASP CB C 13 39.210 0.05 . 1 . . . . 305 ASP CB . 16451 1 1090 . 1 1 305 305 ASP N N 15 120.870 0.05 . 1 . . . . 305 ASP N . 16451 1 1091 . 1 1 306 306 VAL H H 1 7.400 0.005 . 1 . . . . 306 VAL HN . 16451 1 1092 . 1 1 306 306 VAL CA C 13 65.340 0.05 . 1 . . . . 306 VAL CA . 16451 1 1093 . 1 1 306 306 VAL CB C 13 30.600 0.05 . 1 . . . . 306 VAL CB . 16451 1 1094 . 1 1 306 306 VAL N N 15 120.730 0.05 . 1 . . . . 306 VAL N . 16451 1 1095 . 1 1 307 307 ILE H H 1 8.030 0.005 . 1 . . . . 307 ILE HN . 16451 1 1096 . 1 1 307 307 ILE CA C 13 66.410 0.05 . 1 . . . . 307 ILE CA . 16451 1 1097 . 1 1 307 307 ILE CB C 13 36.880 0.05 . 1 . . . . 307 ILE CB . 16451 1 1098 . 1 1 307 307 ILE N N 15 123.510 0.05 . 1 . . . . 307 ILE N . 16451 1 1099 . 1 1 308 308 ARG H H 1 7.980 0.005 . 1 . . . . 308 ARG HN . 16451 1 1100 . 1 1 308 308 ARG CA C 13 58.710 0.05 . 1 . . . . 308 ARG CA . 16451 1 1101 . 1 1 308 308 ARG CB C 13 29.500 0.05 . 1 . . . . 308 ARG CB . 16451 1 1102 . 1 1 308 308 ARG N N 15 116.440 0.05 . 1 . . . . 308 ARG N . 16451 1 1103 . 1 1 309 309 GLU H H 1 7.030 0.005 . 1 . . . . 309 GLU HN . 16451 1 1104 . 1 1 309 309 GLU CA C 13 55.500 0.05 . 1 . . . . 309 GLU CA . 16451 1 1105 . 1 1 309 309 GLU CB C 13 29.380 0.05 . 1 . . . . 309 GLU CB . 16451 1 1106 . 1 1 309 309 GLU N N 15 117.290 0.05 . 1 . . . . 309 GLU N . 16451 1 1107 . 1 1 310 310 SER H H 1 7.700 0.005 . 1 . . . . 310 SER HN . 16451 1 1108 . 1 1 310 310 SER CA C 13 58.490 0.05 . 1 . . . . 310 SER CA . 16451 1 1109 . 1 1 310 310 SER CB C 13 63.990 0.05 . 1 . . . . 310 SER CB . 16451 1 1110 . 1 1 310 310 SER N N 15 115.590 0.05 . 1 . . . . 310 SER N . 16451 1 1111 . 1 1 311 311 LYS H H 1 9.190 0.005 . 1 . . . . 311 LYS HN . 16451 1 1112 . 1 1 311 311 LYS CA C 13 55.830 0.05 . 1 . . . . 311 LYS CA . 16451 1 1113 . 1 1 311 311 LYS CB C 13 32.930 0.05 . 1 . . . . 311 LYS CB . 16451 1 1114 . 1 1 311 311 LYS N N 15 124.660 0.05 . 1 . . . . 311 LYS N . 16451 1 1115 . 1 1 312 312 LEU H H 1 7.880 0.005 . 1 . . . . 312 LEU HN . 16451 1 1116 . 1 1 312 312 LEU CA C 13 54.500 0.05 . 1 . . . . 312 LEU CA . 16451 1 1117 . 1 1 312 312 LEU CB C 13 44.320 0.05 . 1 . . . . 312 LEU CB . 16451 1 1118 . 1 1 312 312 LEU N N 15 125.410 0.05 . 1 . . . . 312 LEU N . 16451 1 1119 . 1 1 313 313 VAL H H 1 9.290 0.005 . 1 . . . . 313 VAL HN . 16451 1 1120 . 1 1 313 313 VAL CA C 13 59.460 0.05 . 1 . . . . 313 VAL CA . 16451 1 1121 . 1 1 313 313 VAL CB C 13 34.610 0.05 . 1 . . . . 313 VAL CB . 16451 1 1122 . 1 1 313 313 VAL N N 15 128.030 0.05 . 1 . . . . 313 VAL N . 16451 1 1123 . 1 1 314 314 VAL H H 1 8.360 0.005 . 1 . . . . 314 VAL HN . 16451 1 1124 . 1 1 314 314 VAL CA C 13 59.790 0.05 . 1 . . . . 314 VAL CA . 16451 1 1125 . 1 1 314 314 VAL CB C 13 33.380 0.05 . 1 . . . . 314 VAL CB . 16451 1 1126 . 1 1 314 314 VAL N N 15 125.550 0.05 . 1 . . . . 314 VAL N . 16451 1 1127 . 1 1 315 315 TRP H H 1 9.530 0.005 . 1 . . . . 315 TRP HN . 16451 1 1128 . 1 1 315 315 TRP C C 13 173.930 0.05 . 1 . . . . 315 TRP CO . 16451 1 1129 . 1 1 315 315 TRP CA C 13 52.760 0.05 . 1 . . . . 315 TRP CA . 16451 1 1130 . 1 1 315 315 TRP CB C 13 31.250 0.05 . 1 . . . . 315 TRP CB . 16451 1 1131 . 1 1 315 315 TRP N N 15 130.330 0.05 . 1 . . . . 315 TRP N . 16451 1 1132 . 1 1 316 316 ASN H H 1 8.940 0.005 . 1 . . . . 316 ASN HN . 16451 1 1133 . 1 1 316 316 ASN CA C 13 54.170 0.05 . 1 . . . . 316 ASN CA . 16451 1 1134 . 1 1 316 316 ASN N N 15 125.370 0.05 . 1 . . . . 316 ASN N . 16451 1 1135 . 1 1 319 319 MET H H 1 8.150 0.005 . 1 . . . . 319 MET HN . 16451 1 1136 . 1 1 319 319 MET C C 13 174.450 0.05 . 1 . . . . 319 MET CO . 16451 1 1137 . 1 1 319 319 MET CA C 13 55.160 0.05 . 1 . . . . 319 MET CA . 16451 1 1138 . 1 1 319 319 MET CB C 13 37.470 0.05 . 1 . . . . 319 MET CB . 16451 1 1139 . 1 1 319 319 MET N N 15 118.070 0.05 . 1 . . . . 319 MET N . 16451 1 1140 . 1 1 320 320 GLY H H 1 7.570 0.005 . 1 . . . . 320 GLY HN . 16451 1 1141 . 1 1 320 320 GLY C C 13 173.370 0.05 . 1 . . . . 320 GLY CO . 16451 1 1142 . 1 1 320 320 GLY CA C 13 46.250 0.05 . 1 . . . . 320 GLY CA . 16451 1 1143 . 1 1 320 320 GLY N N 15 108.610 0.05 . 1 . . . . 320 GLY N . 16451 1 1144 . 1 1 321 321 VAL H H 1 7.780 0.005 . 1 . . . . 321 VAL HN . 16451 1 1145 . 1 1 321 321 VAL C C 13 174.570 0.05 . 1 . . . . 321 VAL CO . 16451 1 1146 . 1 1 321 321 VAL CA C 13 60.350 0.05 . 1 . . . . 321 VAL CA . 16451 1 1147 . 1 1 321 321 VAL CB C 13 28.460 0.05 . 1 . . . . 321 VAL CB . 16451 1 1148 . 1 1 321 321 VAL N N 15 122.660 0.05 . 1 . . . . 321 VAL N . 16451 1 1149 . 1 1 322 322 PHE H H 1 8.360 0.005 . 1 . . . . 322 PHE HN . 16451 1 1150 . 1 1 322 322 PHE CA C 13 58.690 0.05 . 1 . . . . 322 PHE CA . 16451 1 1151 . 1 1 322 322 PHE CB C 13 37.850 0.05 . 1 . . . . 322 PHE CB . 16451 1 1152 . 1 1 322 322 PHE N N 15 124.580 0.05 . 1 . . . . 322 PHE N . 16451 1 1153 . 1 1 323 323 GLU H H 1 9.240 0.005 . 1 . . . . 323 GLU HN . 16451 1 1154 . 1 1 323 323 GLU CA C 13 58.820 0.05 . 1 . . . . 323 GLU CA . 16451 1 1155 . 1 1 323 323 GLU CB C 13 27.880 0.05 . 1 . . . . 323 GLU CB . 16451 1 1156 . 1 1 323 323 GLU N N 15 121.950 0.05 . 1 . . . . 323 GLU N . 16451 1 1157 . 1 1 324 324 MET H H 1 7.850 0.005 . 1 . . . . 324 MET HN . 16451 1 1158 . 1 1 324 324 MET CA C 13 54.200 0.05 . 1 . . . . 324 MET CA . 16451 1 1159 . 1 1 324 324 MET CB C 13 34.100 0.05 . 1 . . . . 324 MET CB . 16451 1 1160 . 1 1 324 324 MET N N 15 118.950 0.05 . 1 . . . . 324 MET N . 16451 1 1161 . 1 1 325 325 ASP H H 1 8.390 0.005 . 1 . . . . 325 ASP HN . 16451 1 1162 . 1 1 325 325 ASP CA C 13 57.610 0.05 . 1 . . . . 325 ASP CA . 16451 1 1163 . 1 1 325 325 ASP CB C 13 40.050 0.05 . 1 . . . . 325 ASP CB . 16451 1 1164 . 1 1 325 325 ASP N N 15 125.790 0.05 . 1 . . . . 325 ASP N . 16451 1 1165 . 1 1 326 326 ALA H H 1 8.800 0.005 . 1 . . . . 326 ALA HN . 16451 1 1166 . 1 1 326 326 ALA CA C 13 53.640 0.05 . 1 . . . . 326 ALA CA . 16451 1 1167 . 1 1 326 326 ALA CB C 13 16.880 0.05 . 1 . . . . 326 ALA CB . 16451 1 1168 . 1 1 326 326 ALA N N 15 119.090 0.05 . 1 . . . . 326 ALA N . 16451 1 1169 . 1 1 327 327 PHE H H 1 7.540 0.005 . 1 . . . . 327 PHE HN . 16451 1 1170 . 1 1 327 327 PHE CA C 13 54.880 0.05 . 1 . . . . 327 PHE CA . 16451 1 1171 . 1 1 327 327 PHE CB C 13 37.330 0.05 . 1 . . . . 327 PHE CB . 16451 1 1172 . 1 1 327 327 PHE N N 15 114.760 0.05 . 1 . . . . 327 PHE N . 16451 1 1173 . 1 1 328 328 ALA H H 1 7.040 0.005 . 1 . . . . 328 ALA HN . 16451 1 1174 . 1 1 328 328 ALA CA C 13 52.530 0.05 . 1 . . . . 328 ALA CA . 16451 1 1175 . 1 1 328 328 ALA CB C 13 19.660 0.05 . 1 . . . . 328 ALA CB . 16451 1 1176 . 1 1 328 328 ALA N N 15 119.550 0.05 . 1 . . . . 328 ALA N . 16451 1 1177 . 1 1 329 329 HIS H H 1 7.170 0.005 . 1 . . . . 329 HIS HN . 16451 1 1178 . 1 1 329 329 HIS C C 13 179.210 0.05 . 1 . . . . 329 HIS CO . 16451 1 1179 . 1 1 329 329 HIS CA C 13 59.370 0.05 . 1 . . . . 329 HIS CA . 16451 1 1180 . 1 1 329 329 HIS CB C 13 30.020 0.05 . 1 . . . . 329 HIS CB . 16451 1 1181 . 1 1 329 329 HIS N N 15 118.340 0.05 . 1 . . . . 329 HIS N . 16451 1 1182 . 1 1 330 330 GLY H H 1 11.570 0.005 . 1 . . . . 330 GLY HN . 16451 1 1183 . 1 1 330 330 GLY C C 13 174.950 0.05 . 1 . . . . 330 GLY CO . 16451 1 1184 . 1 1 330 330 GLY CA C 13 46.810 0.05 . 1 . . . . 330 GLY CA . 16451 1 1185 . 1 1 330 330 GLY N N 15 114.950 0.05 . 1 . . . . 330 GLY N . 16451 1 1186 . 1 1 331 331 THR H H 1 8.040 0.005 . 1 . . . . 331 THR HN . 16451 1 1187 . 1 1 331 331 THR C C 13 175.330 0.05 . 1 . . . . 331 THR CO . 16451 1 1188 . 1 1 331 331 THR N N 15 123.210 0.05 . 1 . . . . 331 THR N . 16451 1 1189 . 1 1 332 332 LYS H H 1 8.290 0.005 . 1 . . . . 332 LYS HN . 16451 1 1190 . 1 1 332 332 LYS C C 13 177.100 0.05 . 1 . . . . 332 LYS CO . 16451 1 1191 . 1 1 332 332 LYS CA C 13 59.810 0.05 . 1 . . . . 332 LYS CA . 16451 1 1192 . 1 1 332 332 LYS CB C 13 31.120 0.05 . 1 . . . . 332 LYS CB . 16451 1 1193 . 1 1 332 332 LYS N N 15 124.870 0.05 . 1 . . . . 332 LYS N . 16451 1 1194 . 1 1 333 333 ALA H H 1 8.010 0.005 . 1 . . . . 333 ALA HN . 16451 1 1195 . 1 1 333 333 ALA CA C 13 54.210 0.05 . 1 . . . . 333 ALA CA . 16451 1 1196 . 1 1 333 333 ALA CB C 13 17.010 0.05 . 1 . . . . 333 ALA CB . 16451 1 1197 . 1 1 333 333 ALA N N 15 119.090 0.05 . 1 . . . . 333 ALA N . 16451 1 1198 . 1 1 334 334 ILE H H 1 6.950 0.005 . 1 . . . . 334 ILE HN . 16451 1 1199 . 1 1 334 334 ILE CA C 13 61.550 0.05 . 1 . . . . 334 ILE CA . 16451 1 1200 . 1 1 334 334 ILE CB C 13 34.680 0.05 . 1 . . . . 334 ILE CB . 16451 1 1201 . 1 1 334 334 ILE N N 15 118.860 0.05 . 1 . . . . 334 ILE N . 16451 1 1202 . 1 1 335 335 ALA H H 1 7.550 0.005 . 1 . . . . 335 ALA HN . 16451 1 1203 . 1 1 335 335 ALA CA C 13 55.170 0.05 . 1 . . . . 335 ALA CA . 16451 1 1204 . 1 1 335 335 ALA CB C 13 17.920 0.05 . 1 . . . . 335 ALA CB . 16451 1 1205 . 1 1 335 335 ALA N N 15 122.420 0.05 . 1 . . . . 335 ALA N . 16451 1 1206 . 1 1 336 336 GLU H H 1 8.940 0.005 . 1 . . . . 336 GLU HN . 16451 1 1207 . 1 1 336 336 GLU CA C 13 59.250 0.05 . 1 . . . . 336 GLU CA . 16451 1 1208 . 1 1 336 336 GLU CB C 13 29.110 0.05 . 1 . . . . 336 GLU CB . 16451 1 1209 . 1 1 336 336 GLU N N 15 117.870 0.05 . 1 . . . . 336 GLU N . 16451 1 1210 . 1 1 337 337 ALA H H 1 7.630 0.005 . 1 . . . . 337 ALA HN . 16451 1 1211 . 1 1 337 337 ALA CA C 13 54.090 0.05 . 1 . . . . 337 ALA CA . 16451 1 1212 . 1 1 337 337 ALA CB C 13 17.590 0.05 . 1 . . . . 337 ALA CB . 16451 1 1213 . 1 1 337 337 ALA N N 15 121.070 0.05 . 1 . . . . 337 ALA N . 16451 1 1214 . 1 1 338 338 LEU H H 1 7.760 0.005 . 1 . . . . 338 LEU HN . 16451 1 1215 . 1 1 338 338 LEU CA C 13 57.070 0.05 . 1 . . . . 338 LEU CA . 16451 1 1216 . 1 1 338 338 LEU CB C 13 40.700 0.05 . 1 . . . . 338 LEU CB . 16451 1 1217 . 1 1 338 338 LEU N N 15 117.190 0.05 . 1 . . . . 338 LEU N . 16451 1 1218 . 1 1 339 339 ALA H H 1 8.190 0.005 . 1 . . . . 339 ALA HN . 16451 1 1219 . 1 1 339 339 ALA CA C 13 54.160 0.05 . 1 . . . . 339 ALA CA . 16451 1 1220 . 1 1 339 339 ALA CB C 13 19.140 0.05 . 1 . . . . 339 ALA CB . 16451 1 1221 . 1 1 339 339 ALA N N 15 121.900 0.05 . 1 . . . . 339 ALA N . 16451 1 1222 . 1 1 340 340 GLU H H 1 7.690 0.005 . 1 . . . . 340 GLU HN . 16451 1 1223 . 1 1 340 340 GLU CA C 13 55.730 0.05 . 1 . . . . 340 GLU CA . 16451 1 1224 . 1 1 340 340 GLU CB C 13 29.560 0.05 . 1 . . . . 340 GLU CB . 16451 1 1225 . 1 1 340 340 GLU N N 15 115.320 0.05 . 1 . . . . 340 GLU N . 16451 1 1226 . 1 1 341 341 ALA H H 1 7.110 0.005 . 1 . . . . 341 ALA HN . 16451 1 1227 . 1 1 341 341 ALA CA C 13 51.200 0.05 . 1 . . . . 341 ALA CA . 16451 1 1228 . 1 1 341 341 ALA CB C 13 15.910 0.05 . 1 . . . . 341 ALA CB . 16451 1 1229 . 1 1 341 341 ALA N N 15 125.990 0.05 . 1 . . . . 341 ALA N . 16451 1 1230 . 1 1 342 342 LEU H H 1 7.930 0.005 . 1 . . . . 342 LEU HN . 16451 1 1231 . 1 1 342 342 LEU CA C 13 56.930 0.05 . 1 . . . . 342 LEU CA . 16451 1 1232 . 1 1 342 342 LEU CB C 13 40.890 0.05 . 1 . . . . 342 LEU CB . 16451 1 1233 . 1 1 342 342 LEU N N 15 124.290 0.05 . 1 . . . . 342 LEU N . 16451 1 1234 . 1 1 343 343 ASP H H 1 8.450 0.005 . 1 . . . . 343 ASP HN . 16451 1 1235 . 1 1 343 343 ASP CA C 13 53.650 0.05 . 1 . . . . 343 ASP CA . 16451 1 1236 . 1 1 343 343 ASP CB C 13 40.900 0.05 . 1 . . . . 343 ASP CB . 16451 1 1237 . 1 1 343 343 ASP N N 15 118.620 0.05 . 1 . . . . 343 ASP N . 16451 1 1238 . 1 1 344 344 THR H H 1 7.390 0.005 . 1 . . . . 344 THR HN . 16451 1 1239 . 1 1 344 344 THR CA C 13 62.140 0.05 . 1 . . . . 344 THR CA . 16451 1 1240 . 1 1 344 344 THR CB C 13 69.820 0.05 . 1 . . . . 344 THR CB . 16451 1 1241 . 1 1 344 344 THR N N 15 119.000 0.05 . 1 . . . . 344 THR N . 16451 1 1242 . 1 1 345 345 TYR H H 1 8.410 0.005 . 1 . . . . 345 TYR HN . 16451 1 1243 . 1 1 345 345 TYR CA C 13 57.030 0.05 . 1 . . . . 345 TYR CA . 16451 1 1244 . 1 1 345 345 TYR CB C 13 38.300 0.05 . 1 . . . . 345 TYR CB . 16451 1 1245 . 1 1 345 345 TYR N N 15 133.490 0.05 . 1 . . . . 345 TYR N . 16451 1 1246 . 1 1 346 346 SER H H 1 9.770 0.005 . 1 . . . . 346 SER HN . 16451 1 1247 . 1 1 346 346 SER CA C 13 55.640 0.05 . 1 . . . . 346 SER CA . 16451 1 1248 . 1 1 346 346 SER CB C 13 65.800 0.05 . 1 . . . . 346 SER CB . 16451 1 1249 . 1 1 346 346 SER N N 15 124.320 0.05 . 1 . . . . 346 SER N . 16451 1 1250 . 1 1 347 347 VAL H H 1 8.760 0.005 . 1 . . . . 347 VAL HN . 16451 1 1251 . 1 1 347 347 VAL CA C 13 60.260 0.05 . 1 . . . . 347 VAL CA . 16451 1 1252 . 1 1 347 347 VAL CB C 13 33.120 0.05 . 1 . . . . 347 VAL CB . 16451 1 1253 . 1 1 347 347 VAL N N 15 124.060 0.05 . 1 . . . . 347 VAL N . 16451 1 1254 . 1 1 348 348 ILE H H 1 8.960 0.005 . 1 . . . . 348 ILE HN . 16451 1 1255 . 1 1 348 348 ILE CA C 13 58.160 0.05 . 1 . . . . 348 ILE CA . 16451 1 1256 . 1 1 348 348 ILE CB C 13 39.070 0.05 . 1 . . . . 348 ILE CB . 16451 1 1257 . 1 1 348 348 ILE N N 15 128.050 0.05 . 1 . . . . 348 ILE N . 16451 1 1258 . 1 1 349 349 GLY H H 1 8.430 0.005 . 1 . . . . 349 GLY HN . 16451 1 1259 . 1 1 349 349 GLY CA C 13 43.940 0.05 . 1 . . . . 349 GLY CA . 16451 1 1260 . 1 1 349 349 GLY N N 15 111.640 0.05 . 1 . . . . 349 GLY N . 16451 1 1261 . 1 1 354 354 ALA H H 1 7.630 0.005 . 1 . . . . 354 ALA HN . 16451 1 1262 . 1 1 354 354 ALA C C 13 179.430 0.05 . 1 . . . . 354 ALA CO . 16451 1 1263 . 1 1 354 354 ALA CA C 13 54.740 0.05 . 1 . . . . 354 ALA CA . 16451 1 1264 . 1 1 354 354 ALA CB C 13 17.150 0.05 . 1 . . . . 354 ALA CB . 16451 1 1265 . 1 1 354 354 ALA N N 15 123.040 0.05 . 1 . . . . 354 ALA N . 16451 1 1266 . 1 1 355 355 ALA H H 1 7.540 0.005 . 1 . . . . 355 ALA HN . 16451 1 1267 . 1 1 355 355 ALA C C 13 180.930 0.05 . 1 . . . . 355 ALA CO . 16451 1 1268 . 1 1 355 355 ALA CA C 13 54.310 0.05 . 1 . . . . 355 ALA CA . 16451 1 1269 . 1 1 355 355 ALA N N 15 120.870 0.05 . 1 . . . . 355 ALA N . 16451 1 1270 . 1 1 356 356 ALA H H 1 8.120 0.005 . 1 . . . . 356 ALA HN . 16451 1 1271 . 1 1 356 356 ALA C C 13 177.320 0.05 . 1 . . . . 356 ALA CO . 16451 1 1272 . 1 1 356 356 ALA CA C 13 54.430 0.05 . 1 . . . . 356 ALA CA . 16451 1 1273 . 1 1 356 356 ALA CB C 13 15.790 0.05 . 1 . . . . 356 ALA CB . 16451 1 1274 . 1 1 356 356 ALA N N 15 122.720 0.05 . 1 . . . . 356 ALA N . 16451 1 1275 . 1 1 357 357 VAL H H 1 7.300 0.005 . 1 . . . . 357 VAL HN . 16451 1 1276 . 1 1 357 357 VAL CA C 13 66.850 0.05 . 1 . . . . 357 VAL CA . 16451 1 1277 . 1 1 357 357 VAL CB C 13 30.410 0.05 . 1 . . . . 357 VAL CB . 16451 1 1278 . 1 1 357 357 VAL N N 15 113.510 0.05 . 1 . . . . 357 VAL N . 16451 1 1279 . 1 1 358 358 GLU H H 1 7.640 0.005 . 1 . . . . 358 GLU HN . 16451 1 1280 . 1 1 358 358 GLU CA C 13 58.470 0.05 . 1 . . . . 358 GLU CA . 16451 1 1281 . 1 1 358 358 GLU CB C 13 28.660 0.05 . 1 . . . . 358 GLU CB . 16451 1 1282 . 1 1 358 358 GLU N N 15 120.240 0.05 . 1 . . . . 358 GLU N . 16451 1 1283 . 1 1 359 359 LYS H H 1 8.140 0.005 . 1 . . . . 359 LYS HN . 16451 1 1284 . 1 1 359 359 LYS CA C 13 58.700 0.05 . 1 . . . . 359 LYS CA . 16451 1 1285 . 1 1 359 359 LYS CB C 13 30.930 0.05 . 1 . . . . 359 LYS CB . 16451 1 1286 . 1 1 359 359 LYS N N 15 124.660 0.05 . 1 . . . . 359 LYS N . 16451 1 1287 . 1 1 360 360 PHE H H 1 7.420 0.005 . 1 . . . . 360 PHE HN . 16451 1 1288 . 1 1 360 360 PHE CA C 13 54.990 0.05 . 1 . . . . 360 PHE CA . 16451 1 1289 . 1 1 360 360 PHE CB C 13 38.110 0.05 . 1 . . . . 360 PHE CB . 16451 1 1290 . 1 1 360 360 PHE N N 15 115.030 0.05 . 1 . . . . 360 PHE N . 16451 1 1291 . 1 1 361 361 GLY H H 1 8.030 0.005 . 1 . . . . 361 GLY HN . 16451 1 1292 . 1 1 361 361 GLY CA C 13 46.270 0.05 . 1 . . . . 361 GLY CA . 16451 1 1293 . 1 1 361 361 GLY N N 15 109.340 0.05 . 1 . . . . 361 GLY N . 16451 1 1294 . 1 1 362 362 LEU H H 1 7.470 0.005 . 1 . . . . 362 LEU HN . 16451 1 1295 . 1 1 362 362 LEU CA C 13 53.420 0.05 . 1 . . . . 362 LEU CA . 16451 1 1296 . 1 1 362 362 LEU CB C 13 43.870 0.05 . 1 . . . . 362 LEU CB . 16451 1 1297 . 1 1 362 362 LEU N N 15 117.490 0.05 . 1 . . . . 362 LEU N . 16451 1 1298 . 1 1 363 363 ALA H H 1 8.130 0.005 . 1 . . . . 363 ALA HN . 16451 1 1299 . 1 1 363 363 ALA CA C 13 55.870 0.05 . 1 . . . . 363 ALA CA . 16451 1 1300 . 1 1 363 363 ALA CB C 13 17.790 0.05 . 1 . . . . 363 ALA CB . 16451 1 1301 . 1 1 363 363 ALA N N 15 124.680 0.05 . 1 . . . . 363 ALA N . 16451 1 1302 . 1 1 364 364 ASP H H 1 8.420 0.005 . 1 . . . . 364 ASP HN . 16451 1 1303 . 1 1 364 364 ASP CA C 13 54.720 0.05 . 1 . . . . 364 ASP CA . 16451 1 1304 . 1 1 364 364 ASP CB C 13 39.140 0.05 . 1 . . . . 364 ASP CB . 16451 1 1305 . 1 1 364 364 ASP N N 15 113.890 0.05 . 1 . . . . 364 ASP N . 16451 1 1306 . 1 1 365 365 LYS H H 1 7.410 0.005 . 1 . . . . 365 LYS HN . 16451 1 1307 . 1 1 365 365 LYS CA C 13 54.530 0.05 . 1 . . . . 365 LYS CA . 16451 1 1308 . 1 1 365 365 LYS CB C 13 32.020 0.05 . 1 . . . . 365 LYS CB . 16451 1 1309 . 1 1 365 365 LYS N N 15 117.430 0.05 . 1 . . . . 365 LYS N . 16451 1 1310 . 1 1 366 366 MET H H 1 7.070 0.005 . 1 . . . . 366 MET HN . 16451 1 1311 . 1 1 366 366 MET CA C 13 51.770 0.05 . 1 . . . . 366 MET CA . 16451 1 1312 . 1 1 366 366 MET CB C 13 32.350 0.05 . 1 . . . . 366 MET CB . 16451 1 1313 . 1 1 366 366 MET N N 15 117.720 0.05 . 1 . . . . 366 MET N . 16451 1 1314 . 1 1 367 367 ASP H H 1 8.530 0.005 . 1 . . . . 367 ASP HN . 16451 1 1315 . 1 1 367 367 ASP CA C 13 58.130 0.05 . 1 . . . . 367 ASP CA . 16451 1 1316 . 1 1 367 367 ASP CB C 13 39.980 0.05 . 1 . . . . 367 ASP CB . 16451 1 1317 . 1 1 367 367 ASP N N 15 124.540 0.05 . 1 . . . . 367 ASP N . 16451 1 1318 . 1 1 368 368 HIS H H 1 8.220 0.005 . 1 . . . . 368 HIS HN . 16451 1 1319 . 1 1 368 368 HIS CA C 13 56.950 0.05 . 1 . . . . 368 HIS CA . 16451 1 1320 . 1 1 368 368 HIS CB C 13 34.220 0.05 . 1 . . . . 368 HIS CB . 16451 1 1321 . 1 1 368 368 HIS N N 15 117.940 0.05 . 1 . . . . 368 HIS N . 16451 1 1322 . 1 1 369 369 ILE H H 1 8.050 0.005 . 1 . . . . 369 ILE HN . 16451 1 1323 . 1 1 369 369 ILE CA C 13 59.580 0.05 . 1 . . . . 369 ILE CA . 16451 1 1324 . 1 1 369 369 ILE CB C 13 36.680 0.05 . 1 . . . . 369 ILE CB . 16451 1 1325 . 1 1 369 369 ILE N N 15 129.110 0.05 . 1 . . . . 369 ILE N . 16451 1 1326 . 1 1 370 370 SER H H 1 8.770 0.005 . 1 . . . . 370 SER HN . 16451 1 1327 . 1 1 370 370 SER CA C 13 57.720 0.05 . 1 . . . . 370 SER CA . 16451 1 1328 . 1 1 370 370 SER CB C 13 63.280 0.05 . 1 . . . . 370 SER CB . 16451 1 1329 . 1 1 370 370 SER N N 15 120.260 0.05 . 1 . . . . 370 SER N . 16451 1 1330 . 1 1 371 371 THR H H 1 9.830 0.005 . 1 . . . . 371 THR HN . 16451 1 1331 . 1 1 371 371 THR CA C 13 62.000 0.05 . 1 . . . . 371 THR CA . 16451 1 1332 . 1 1 371 371 THR CB C 13 69.670 0.05 . 1 . . . . 371 THR CB . 16451 1 1333 . 1 1 371 371 THR N N 15 121.820 0.05 . 1 . . . . 371 THR N . 16451 1 1334 . 1 1 372 372 GLY H H 1 7.890 0.005 . 1 . . . . 372 GLY HN . 16451 1 1335 . 1 1 372 372 GLY CA C 13 46.390 0.05 . 1 . . . . 372 GLY CA . 16451 1 1336 . 1 1 372 372 GLY N N 15 107.820 0.05 . 1 . . . . 372 GLY N . 16451 1 1337 . 1 1 375 375 ALA H H 1 7.670 0.005 . 1 . . . . 375 ALA HN . 16451 1 1338 . 1 1 375 375 ALA C C 13 179.580 0.05 . 1 . . . . 375 ALA CO . 16451 1 1339 . 1 1 375 375 ALA CA C 13 54.970 0.05 . 1 . . . . 375 ALA CA . 16451 1 1340 . 1 1 375 375 ALA CB C 13 17.850 0.05 . 1 . . . . 375 ALA CB . 16451 1 1341 . 1 1 375 375 ALA N N 15 123.620 0.05 . 1 . . . . 375 ALA N . 16451 1 1342 . 1 1 376 376 SER H H 1 7.080 0.005 . 1 . . . . 376 SER HN . 16451 1 1343 . 1 1 376 376 SER C C 13 175.800 0.05 . 1 . . . . 376 SER CO . 16451 1 1344 . 1 1 376 376 SER N N 15 112.270 0.05 . 1 . . . . 376 SER N . 16451 1 1345 . 1 1 377 377 LEU H H 1 6.970 0.005 . 1 . . . . 377 LEU HN . 16451 1 1346 . 1 1 377 377 LEU C C 13 178.920 0.05 . 1 . . . . 377 LEU CO . 16451 1 1347 . 1 1 377 377 LEU CA C 13 57.610 0.05 . 1 . . . . 377 LEU CA . 16451 1 1348 . 1 1 377 377 LEU CB C 13 39.850 0.05 . 1 . . . . 377 LEU CB . 16451 1 1349 . 1 1 377 377 LEU N N 15 123.450 0.05 . 1 . . . . 377 LEU N . 16451 1 1350 . 1 1 378 378 GLU H H 1 7.870 0.005 . 1 . . . . 378 GLU HN . 16451 1 1351 . 1 1 378 378 GLU CA C 13 60.010 0.05 . 1 . . . . 378 GLU CA . 16451 1 1352 . 1 1 378 378 GLU CB C 13 28.010 0.05 . 1 . . . . 378 GLU CB . 16451 1 1353 . 1 1 378 378 GLU N N 15 119.160 0.05 . 1 . . . . 378 GLU N . 16451 1 1354 . 1 1 379 379 PHE H H 1 8.340 0.005 . 1 . . . . 379 PHE HN . 16451 1 1355 . 1 1 379 379 PHE CA C 13 61.260 0.05 . 1 . . . . 379 PHE CA . 16451 1 1356 . 1 1 379 379 PHE CB C 13 39.010 0.05 . 1 . . . . 379 PHE CB . 16451 1 1357 . 1 1 379 379 PHE N N 15 120.730 0.05 . 1 . . . . 379 PHE N . 16451 1 1358 . 1 1 380 380 MET H H 1 8.160 0.005 . 1 . . . . 380 MET HN . 16451 1 1359 . 1 1 380 380 MET CA C 13 58.250 0.05 . 1 . . . . 380 MET CA . 16451 1 1360 . 1 1 380 380 MET CB C 13 32.470 0.05 . 1 . . . . 380 MET CB . 16451 1 1361 . 1 1 380 380 MET N N 15 119.080 0.05 . 1 . . . . 380 MET N . 16451 1 1362 . 1 1 381 381 GLU H H 1 7.830 0.005 . 1 . . . . 381 GLU HN . 16451 1 1363 . 1 1 381 381 GLU CA C 13 56.720 0.05 . 1 . . . . 381 GLU CA . 16451 1 1364 . 1 1 381 381 GLU CB C 13 29.700 0.05 . 1 . . . . 381 GLU CB . 16451 1 1365 . 1 1 381 381 GLU N N 15 117.890 0.05 . 1 . . . . 381 GLU N . 16451 1 1366 . 1 1 382 382 GLY H H 1 7.840 0.005 . 1 . . . . 382 GLY HN . 16451 1 1367 . 1 1 382 382 GLY CA C 13 44.280 0.05 . 1 . . . . 382 GLY CA . 16451 1 1368 . 1 1 382 382 GLY N N 15 106.750 0.05 . 1 . . . . 382 GLY N . 16451 1 1369 . 1 1 383 383 LYS H H 1 7.190 0.005 . 1 . . . . 383 LYS HN . 16451 1 1370 . 1 1 383 383 LYS CA C 13 56.060 0.05 . 1 . . . . 383 LYS CA . 16451 1 1371 . 1 1 383 383 LYS CB C 13 32.150 0.05 . 1 . . . . 383 LYS CB . 16451 1 1372 . 1 1 383 383 LYS N N 15 120.020 0.05 . 1 . . . . 383 LYS N . 16451 1 1373 . 1 1 384 384 GLN H H 1 8.360 0.005 . 1 . . . . 384 GLN HN . 16451 1 1374 . 1 1 384 384 GLN CA C 13 53.420 0.05 . 1 . . . . 384 GLN CA . 16451 1 1375 . 1 1 384 384 GLN CB C 13 27.300 0.05 . 1 . . . . 384 GLN CB . 16451 1 1376 . 1 1 384 384 GLN N N 15 120.790 0.05 . 1 . . . . 384 GLN N . 16451 1 1377 . 1 1 385 385 LEU H H 1 9.010 0.005 . 1 . . . . 385 LEU HN . 16451 1 1378 . 1 1 385 385 LEU CA C 13 52.980 0.05 . 1 . . . . 385 LEU CA . 16451 1 1379 . 1 1 385 385 LEU CB C 13 39.210 0.05 . 1 . . . . 385 LEU CB . 16451 1 1380 . 1 1 385 385 LEU N N 15 130.090 0.05 . 1 . . . . 385 LEU N . 16451 1 1381 . 1 1 387 387 GLY H H 1 8.940 0.005 . 1 . . . . 387 GLY HN . 16451 1 1382 . 1 1 387 387 GLY CA C 13 46.030 0.05 . 1 . . . . 387 GLY CA . 16451 1 1383 . 1 1 387 387 GLY N N 15 103.120 0.05 . 1 . . . . 387 GLY N . 16451 1 1384 . 1 1 388 388 VAL H H 1 7.150 0.005 . 1 . . . . 388 VAL HN . 16451 1 1385 . 1 1 388 388 VAL CA C 13 64.960 0.05 . 1 . . . . 388 VAL CA . 16451 1 1386 . 1 1 388 388 VAL CB C 13 31.380 0.05 . 1 . . . . 388 VAL CB . 16451 1 1387 . 1 1 388 388 VAL N N 15 119.440 0.05 . 1 . . . . 388 VAL N . 16451 1 1388 . 1 1 389 389 VAL H H 1 7.930 0.005 . 1 . . . . 389 VAL HN . 16451 1 1389 . 1 1 389 389 VAL CA C 13 64.560 0.05 . 1 . . . . 389 VAL CA . 16451 1 1390 . 1 1 389 389 VAL CB C 13 31.120 0.05 . 1 . . . . 389 VAL CB . 16451 1 1391 . 1 1 389 389 VAL N N 15 117.800 0.05 . 1 . . . . 389 VAL N . 16451 1 1392 . 1 1 390 390 ALA H H 1 6.770 0.005 . 1 . . . . 390 ALA HN . 16451 1 1393 . 1 1 390 390 ALA CA C 13 52.420 0.05 . 1 . . . . 390 ALA CA . 16451 1 1394 . 1 1 390 390 ALA CB C 13 18.370 0.05 . 1 . . . . 390 ALA CB . 16451 1 1395 . 1 1 390 390 ALA N N 15 116.900 0.05 . 1 . . . . 390 ALA N . 16451 1 1396 . 1 1 391 391 LEU H H 1 7.170 0.005 . 1 . . . . 391 LEU HN . 16451 1 1397 . 1 1 391 391 LEU CA C 13 53.980 0.05 . 1 . . . . 391 LEU CA . 16451 1 1398 . 1 1 391 391 LEU CB C 13 41.150 0.05 . 1 . . . . 391 LEU CB . 16451 1 1399 . 1 1 391 391 LEU N N 15 115.790 0.05 . 1 . . . . 391 LEU N . 16451 1 1400 . 1 1 392 392 GLU H H 1 8.680 0.005 . 1 . . . . 392 GLU HN . 16451 1 1401 . 1 1 392 392 GLU CA C 13 57.380 0.05 . 1 . . . . 392 GLU CA . 16451 1 1402 . 1 1 392 392 GLU CB C 13 30.470 0.05 . 1 . . . . 392 GLU CB . 16451 1 1403 . 1 1 392 392 GLU N N 15 123.590 0.05 . 1 . . . . 392 GLU N . 16451 1 1404 . 1 1 393 393 ASP H H 1 8.330 0.005 . 1 . . . . 393 ASP HN . 16451 1 1405 . 1 1 393 393 ASP CA C 13 54.430 0.05 . 1 . . . . 393 ASP CA . 16451 1 1406 . 1 1 393 393 ASP CB C 13 41.540 0.05 . 1 . . . . 393 ASP CB . 16451 1 1407 . 1 1 393 393 ASP N N 15 123.990 0.05 . 1 . . . . 393 ASP N . 16451 1 1408 . 1 1 394 394 LYS H H 1 8.110 0.005 . 1 . . . . 394 LYS HN . 16451 1 1409 . 1 1 394 394 LYS CA C 13 58.590 0.05 . 1 . . . . 394 LYS CA . 16451 1 1410 . 1 1 394 394 LYS CB C 13 32.860 0.05 . 1 . . . . 394 LYS CB . 16451 1 1411 . 1 1 394 394 LYS N N 15 126.920 0.05 . 1 . . . . 394 LYS N . 16451 1 stop_ save_