data_16729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16729 _Entry.Title ; NMR assignment of Salmonella typhimurium tip protein SipD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-16 _Entry.Accession_date 2010-02-16 _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 Yu Wang . . . 16729 2 Bryce Nordhues . . . 16729 3 Dalian Zhong . . . 16729 4 Roberto 'De Guzman' . N. . 16729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 801 16729 '15N chemical shifts' 274 16729 '1H chemical shifts' 265 16729 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 3 . . 2011-11-21 2010-02-16 update BMRB 'remove the assignment of PRO Hs' 16729 2 . . 2010-05-18 2010-02-16 update BMRB 'complete entry citation' 16729 1 . . 2010-05-03 2010-02-16 original author 'original release' 16729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20397637 _Citation.Full_citation . _Citation.Title 'NMR characterization of the interaction of the Salmonella type III secretion system protein SipD and bile salts.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 19 _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 4220 _Citation.Page_last 4226 _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 Yu Wang . . . 16729 1 2 Bryce Nordhues . A. . 16729 1 3 Dalian Zhong . . . 16729 1 4 Roberto 'De Guzman' . N. . 16729 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bile salts' 16729 1 NMR 16729 1 pathogenesis 16729 1 salmonella 16729 1 sipd 16729 1 'tip protein' 16729 1 'type III secretion' 16729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16729 _Assembly.ID 1 _Assembly.Name SipDND38 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34000 _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 SipDND38 1 $SipD A . yes native no no . . . 16729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SipD _Entity.Sf_category entity _Entity.Sf_framecode SipD _Entity.Entry_ID 16729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SipD _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 ; MLNIQNYSASPHPGIVAERP QTPSASEHVETAVVPSTTEH RGTDIISLSQAATKIHQAQQ TLQSTPPISEENNDERTLAR QQLTSSLNALAKSGVSLSAE QNENLRSAFSAPTSALFSAS PMAQPRTTISDAEIWDMVSQ NISAIGDSYLGVYENVVAVY TDFYQAFSDILSKMGGWLLP GKDGNTVKLDVTSLKNDLNS LVNKYNQINSNTVLFPAQSG SGVKVATEAEARQWLSELNL PNSCLKSYGSGYVVTVDLTP LQKMVQDIDGLGAPGKDSKL EMDNAKYQAWQSGFKAQEEN MKTTLQTLTQKYSNANSLYD NLVKVLSSTISSSLETAKSF LQG ; _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 343 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 PDB 2YM0 . "Truncated Sipd From Salmonella Typhimurium" . . . . . 61.81 233 100.00 100.00 7.84e-151 . . . . 16729 1 2 no PDB 2YM9 . "Sipd From Salmonella Typhimurium" . . . . . 100.00 346 100.00 100.00 0.00e+00 . . . . 16729 1 3 no PDB 3NZZ . "Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd" . . . . . 88.92 308 100.00 100.00 0.00e+00 . . . . 16729 1 4 no PDB 3O00 . "Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd-C244s" . . . . . 88.92 308 99.67 99.67 0.00e+00 . . . . 16729 1 5 no PDB 3O01 . "The Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd In Complex With Deoxycholate" . . . . . 88.92 308 99.67 99.67 0.00e+00 . . . . 16729 1 6 no PDB 3O02 . "The Crystal Structure Of The Salmonella Type Iii Secretion System Tip Protein Sipd In Complex With Chenodeoxycholate" . . . . . 88.92 308 100.00 100.00 0.00e+00 . . . . 16729 1 7 no PDB 3ZQB . "Prgi-Sipd From Salmonella Typhimurium" . . . . . 63.27 305 100.00 100.00 4.17e-153 . . . . 16729 1 8 no PDB 3ZQE . "Prgi-Sipd From Salmonella Typhimurium In Complex With Deoxycholate" . . . . . 63.27 305 100.00 100.00 4.17e-153 . . . . 16729 1 9 no DBJ BAJ37875 . "translocation machinery component [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 10 no DBJ BAP08788 . "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 11 no EMBL CAR34302 . "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 343 99.71 99.71 0.00e+00 . . . . 16729 1 12 no EMBL CAR38594 . "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 343 99.71 99.71 0.00e+00 . . . . 16729 1 13 no EMBL CBG25852 . "pathogenicity island 1 effector protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 14 no EMBL CBW18960 . "pathogenicity island 1 Type III secretion system apparatus-part of the Translocon [Salmonella enterica subsp. enterica serovar " . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 15 no EMBL CBY97053 . "Cell invasion protein sipD Salmonella invasion protein D [Salmonella enterica subsp. enterica serovar Weltevreden str. 2007-60-" . . . . . 100.00 343 99.42 99.71 0.00e+00 . . . . 16729 1 16 no GB AAA86617 . "SipD [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" . . . . . 98.83 348 98.23 99.12 0.00e+00 . . . . 16729 1 17 no GB AAC43548 . "SspD [Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 18 no GB AAL21763 . "cell invasion protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 19 no GB AAX66721 . "cell invasion protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" . . . . . 100.00 343 99.42 99.42 0.00e+00 . . . . 16729 1 20 no GB ABX68926 . "hypothetical protein SPAB_03585 [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" . . . . . 90.67 311 99.36 99.68 0.00e+00 . . . . 16729 1 21 no REF NP_461804 . "cell invasion protein SipD [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 22 no REF WP_000932241 . "cell invasion protein SipD [Salmonella enterica]" . . . . . 100.00 343 98.83 99.13 0.00e+00 . . . . 16729 1 23 no REF WP_000932242 . "cell invasion protein SipD [Salmonella enterica]" . . . . . 100.00 343 98.54 99.13 0.00e+00 . . . . 16729 1 24 no REF WP_000932245 . "cell invasion protein SipD [Salmonella enterica]" . . . . . 100.00 343 98.83 99.13 0.00e+00 . . . . 16729 1 25 no REF WP_000932246 . "cell invasion protein SipD [Salmonella enterica]" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 1 26 no SP Q56026 . "RecName: Full=Cell invasion protein SipD; AltName: Full=Salmonella invasion protein D" . . . . . 100.00 343 100.00 100.00 0.00e+00 . . . . 16729 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 . 16729 1 2 . LEU . 16729 1 3 . ASN . 16729 1 4 . ILE . 16729 1 5 . GLN . 16729 1 6 . ASN . 16729 1 7 . TYR . 16729 1 8 . SER . 16729 1 9 . ALA . 16729 1 10 . SER . 16729 1 11 . PRO . 16729 1 12 . HIS . 16729 1 13 . PRO . 16729 1 14 . GLY . 16729 1 15 . ILE . 16729 1 16 . VAL . 16729 1 17 . ALA . 16729 1 18 . GLU . 16729 1 19 . ARG . 16729 1 20 . PRO . 16729 1 21 . GLN . 16729 1 22 . THR . 16729 1 23 . PRO . 16729 1 24 . SER . 16729 1 25 . ALA . 16729 1 26 . SER . 16729 1 27 . GLU . 16729 1 28 . HIS . 16729 1 29 . VAL . 16729 1 30 . GLU . 16729 1 31 . THR . 16729 1 32 . ALA . 16729 1 33 . VAL . 16729 1 34 . VAL . 16729 1 35 . PRO . 16729 1 36 . SER . 16729 1 37 . THR . 16729 1 38 . THR . 16729 1 39 . GLU . 16729 1 40 . HIS . 16729 1 41 . ARG . 16729 1 42 . GLY . 16729 1 43 . THR . 16729 1 44 . ASP . 16729 1 45 . ILE . 16729 1 46 . ILE . 16729 1 47 . SER . 16729 1 48 . LEU . 16729 1 49 . SER . 16729 1 50 . GLN . 16729 1 51 . ALA . 16729 1 52 . ALA . 16729 1 53 . THR . 16729 1 54 . LYS . 16729 1 55 . ILE . 16729 1 56 . HIS . 16729 1 57 . GLN . 16729 1 58 . ALA . 16729 1 59 . GLN . 16729 1 60 . GLN . 16729 1 61 . THR . 16729 1 62 . LEU . 16729 1 63 . GLN . 16729 1 64 . SER . 16729 1 65 . THR . 16729 1 66 . PRO . 16729 1 67 . PRO . 16729 1 68 . ILE . 16729 1 69 . SER . 16729 1 70 . GLU . 16729 1 71 . GLU . 16729 1 72 . ASN . 16729 1 73 . ASN . 16729 1 74 . ASP . 16729 1 75 . GLU . 16729 1 76 . ARG . 16729 1 77 . THR . 16729 1 78 . LEU . 16729 1 79 . ALA . 16729 1 80 . ARG . 16729 1 81 . GLN . 16729 1 82 . GLN . 16729 1 83 . LEU . 16729 1 84 . THR . 16729 1 85 . SER . 16729 1 86 . SER . 16729 1 87 . LEU . 16729 1 88 . ASN . 16729 1 89 . ALA . 16729 1 90 . LEU . 16729 1 91 . ALA . 16729 1 92 . LYS . 16729 1 93 . SER . 16729 1 94 . GLY . 16729 1 95 . VAL . 16729 1 96 . SER . 16729 1 97 . LEU . 16729 1 98 . SER . 16729 1 99 . ALA . 16729 1 100 . GLU . 16729 1 101 . GLN . 16729 1 102 . ASN . 16729 1 103 . GLU . 16729 1 104 . ASN . 16729 1 105 . LEU . 16729 1 106 . ARG . 16729 1 107 . SER . 16729 1 108 . ALA . 16729 1 109 . PHE . 16729 1 110 . SER . 16729 1 111 . ALA . 16729 1 112 . PRO . 16729 1 113 . THR . 16729 1 114 . SER . 16729 1 115 . ALA . 16729 1 116 . LEU . 16729 1 117 . PHE . 16729 1 118 . SER . 16729 1 119 . ALA . 16729 1 120 . SER . 16729 1 121 . PRO . 16729 1 122 . MET . 16729 1 123 . ALA . 16729 1 124 . GLN . 16729 1 125 . PRO . 16729 1 126 . ARG . 16729 1 127 . THR . 16729 1 128 . THR . 16729 1 129 . ILE . 16729 1 130 . SER . 16729 1 131 . ASP . 16729 1 132 . ALA . 16729 1 133 . GLU . 16729 1 134 . ILE . 16729 1 135 . TRP . 16729 1 136 . ASP . 16729 1 137 . MET . 16729 1 138 . VAL . 16729 1 139 . SER . 16729 1 140 . GLN . 16729 1 141 . ASN . 16729 1 142 . ILE . 16729 1 143 . SER . 16729 1 144 . ALA . 16729 1 145 . ILE . 16729 1 146 . GLY . 16729 1 147 . ASP . 16729 1 148 . SER . 16729 1 149 . TYR . 16729 1 150 . LEU . 16729 1 151 . GLY . 16729 1 152 . VAL . 16729 1 153 . TYR . 16729 1 154 . GLU . 16729 1 155 . ASN . 16729 1 156 . VAL . 16729 1 157 . VAL . 16729 1 158 . ALA . 16729 1 159 . VAL . 16729 1 160 . TYR . 16729 1 161 . THR . 16729 1 162 . ASP . 16729 1 163 . PHE . 16729 1 164 . TYR . 16729 1 165 . GLN . 16729 1 166 . ALA . 16729 1 167 . PHE . 16729 1 168 . SER . 16729 1 169 . ASP . 16729 1 170 . ILE . 16729 1 171 . LEU . 16729 1 172 . SER . 16729 1 173 . LYS . 16729 1 174 . MET . 16729 1 175 . GLY . 16729 1 176 . GLY . 16729 1 177 . TRP . 16729 1 178 . LEU . 16729 1 179 . LEU . 16729 1 180 . PRO . 16729 1 181 . GLY . 16729 1 182 . LYS . 16729 1 183 . ASP . 16729 1 184 . GLY . 16729 1 185 . ASN . 16729 1 186 . THR . 16729 1 187 . VAL . 16729 1 188 . LYS . 16729 1 189 . LEU . 16729 1 190 . ASP . 16729 1 191 . VAL . 16729 1 192 . THR . 16729 1 193 . SER . 16729 1 194 . LEU . 16729 1 195 . LYS . 16729 1 196 . ASN . 16729 1 197 . ASP . 16729 1 198 . LEU . 16729 1 199 . ASN . 16729 1 200 . SER . 16729 1 201 . LEU . 16729 1 202 . VAL . 16729 1 203 . ASN . 16729 1 204 . LYS . 16729 1 205 . TYR . 16729 1 206 . ASN . 16729 1 207 . GLN . 16729 1 208 . ILE . 16729 1 209 . ASN . 16729 1 210 . SER . 16729 1 211 . ASN . 16729 1 212 . THR . 16729 1 213 . VAL . 16729 1 214 . LEU . 16729 1 215 . PHE . 16729 1 216 . PRO . 16729 1 217 . ALA . 16729 1 218 . GLN . 16729 1 219 . SER . 16729 1 220 . GLY . 16729 1 221 . SER . 16729 1 222 . GLY . 16729 1 223 . VAL . 16729 1 224 . LYS . 16729 1 225 . VAL . 16729 1 226 . ALA . 16729 1 227 . THR . 16729 1 228 . GLU . 16729 1 229 . ALA . 16729 1 230 . GLU . 16729 1 231 . ALA . 16729 1 232 . ARG . 16729 1 233 . GLN . 16729 1 234 . TRP . 16729 1 235 . LEU . 16729 1 236 . SER . 16729 1 237 . GLU . 16729 1 238 . LEU . 16729 1 239 . ASN . 16729 1 240 . LEU . 16729 1 241 . PRO . 16729 1 242 . ASN . 16729 1 243 . SER . 16729 1 244 . CYS . 16729 1 245 . LEU . 16729 1 246 . LYS . 16729 1 247 . SER . 16729 1 248 . TYR . 16729 1 249 . GLY . 16729 1 250 . SER . 16729 1 251 . GLY . 16729 1 252 . TYR . 16729 1 253 . VAL . 16729 1 254 . VAL . 16729 1 255 . THR . 16729 1 256 . VAL . 16729 1 257 . ASP . 16729 1 258 . LEU . 16729 1 259 . THR . 16729 1 260 . PRO . 16729 1 261 . LEU . 16729 1 262 . GLN . 16729 1 263 . LYS . 16729 1 264 . MET . 16729 1 265 . VAL . 16729 1 266 . GLN . 16729 1 267 . ASP . 16729 1 268 . ILE . 16729 1 269 . ASP . 16729 1 270 . GLY . 16729 1 271 . LEU . 16729 1 272 . GLY . 16729 1 273 . ALA . 16729 1 274 . PRO . 16729 1 275 . GLY . 16729 1 276 . LYS . 16729 1 277 . ASP . 16729 1 278 . SER . 16729 1 279 . LYS . 16729 1 280 . LEU . 16729 1 281 . GLU . 16729 1 282 . MET . 16729 1 283 . ASP . 16729 1 284 . ASN . 16729 1 285 . ALA . 16729 1 286 . LYS . 16729 1 287 . TYR . 16729 1 288 . GLN . 16729 1 289 . ALA . 16729 1 290 . TRP . 16729 1 291 . GLN . 16729 1 292 . SER . 16729 1 293 . GLY . 16729 1 294 . PHE . 16729 1 295 . LYS . 16729 1 296 . ALA . 16729 1 297 . GLN . 16729 1 298 . GLU . 16729 1 299 . GLU . 16729 1 300 . ASN . 16729 1 301 . MET . 16729 1 302 . LYS . 16729 1 303 . THR . 16729 1 304 . THR . 16729 1 305 . LEU . 16729 1 306 . GLN . 16729 1 307 . THR . 16729 1 308 . LEU . 16729 1 309 . THR . 16729 1 310 . GLN . 16729 1 311 . LYS . 16729 1 312 . TYR . 16729 1 313 . SER . 16729 1 314 . ASN . 16729 1 315 . ALA . 16729 1 316 . ASN . 16729 1 317 . SER . 16729 1 318 . LEU . 16729 1 319 . TYR . 16729 1 320 . ASP . 16729 1 321 . ASN . 16729 1 322 . LEU . 16729 1 323 . VAL . 16729 1 324 . LYS . 16729 1 325 . VAL . 16729 1 326 . LEU . 16729 1 327 . SER . 16729 1 328 . SER . 16729 1 329 . THR . 16729 1 330 . ILE . 16729 1 331 . SER . 16729 1 332 . SER . 16729 1 333 . SER . 16729 1 334 . LEU . 16729 1 335 . GLU . 16729 1 336 . THR . 16729 1 337 . ALA . 16729 1 338 . LYS . 16729 1 339 . SER . 16729 1 340 . PHE . 16729 1 341 . LEU . 16729 1 342 . GLN . 16729 1 343 . GLY . 16729 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 16729 1 . LEU 2 2 16729 1 . ASN 3 3 16729 1 . ILE 4 4 16729 1 . GLN 5 5 16729 1 . ASN 6 6 16729 1 . TYR 7 7 16729 1 . SER 8 8 16729 1 . ALA 9 9 16729 1 . SER 10 10 16729 1 . PRO 11 11 16729 1 . HIS 12 12 16729 1 . PRO 13 13 16729 1 . GLY 14 14 16729 1 . ILE 15 15 16729 1 . VAL 16 16 16729 1 . ALA 17 17 16729 1 . GLU 18 18 16729 1 . ARG 19 19 16729 1 . PRO 20 20 16729 1 . GLN 21 21 16729 1 . THR 22 22 16729 1 . PRO 23 23 16729 1 . SER 24 24 16729 1 . ALA 25 25 16729 1 . SER 26 26 16729 1 . GLU 27 27 16729 1 . HIS 28 28 16729 1 . VAL 29 29 16729 1 . GLU 30 30 16729 1 . THR 31 31 16729 1 . ALA 32 32 16729 1 . VAL 33 33 16729 1 . VAL 34 34 16729 1 . PRO 35 35 16729 1 . SER 36 36 16729 1 . THR 37 37 16729 1 . THR 38 38 16729 1 . GLU 39 39 16729 1 . HIS 40 40 16729 1 . ARG 41 41 16729 1 . GLY 42 42 16729 1 . THR 43 43 16729 1 . ASP 44 44 16729 1 . ILE 45 45 16729 1 . ILE 46 46 16729 1 . SER 47 47 16729 1 . LEU 48 48 16729 1 . SER 49 49 16729 1 . GLN 50 50 16729 1 . ALA 51 51 16729 1 . ALA 52 52 16729 1 . THR 53 53 16729 1 . LYS 54 54 16729 1 . ILE 55 55 16729 1 . HIS 56 56 16729 1 . GLN 57 57 16729 1 . ALA 58 58 16729 1 . GLN 59 59 16729 1 . GLN 60 60 16729 1 . THR 61 61 16729 1 . LEU 62 62 16729 1 . GLN 63 63 16729 1 . SER 64 64 16729 1 . THR 65 65 16729 1 . PRO 66 66 16729 1 . PRO 67 67 16729 1 . ILE 68 68 16729 1 . SER 69 69 16729 1 . GLU 70 70 16729 1 . GLU 71 71 16729 1 . ASN 72 72 16729 1 . ASN 73 73 16729 1 . ASP 74 74 16729 1 . GLU 75 75 16729 1 . ARG 76 76 16729 1 . THR 77 77 16729 1 . LEU 78 78 16729 1 . ALA 79 79 16729 1 . ARG 80 80 16729 1 . GLN 81 81 16729 1 . GLN 82 82 16729 1 . LEU 83 83 16729 1 . THR 84 84 16729 1 . SER 85 85 16729 1 . SER 86 86 16729 1 . LEU 87 87 16729 1 . ASN 88 88 16729 1 . ALA 89 89 16729 1 . LEU 90 90 16729 1 . ALA 91 91 16729 1 . LYS 92 92 16729 1 . SER 93 93 16729 1 . GLY 94 94 16729 1 . VAL 95 95 16729 1 . SER 96 96 16729 1 . LEU 97 97 16729 1 . SER 98 98 16729 1 . ALA 99 99 16729 1 . GLU 100 100 16729 1 . GLN 101 101 16729 1 . ASN 102 102 16729 1 . GLU 103 103 16729 1 . ASN 104 104 16729 1 . LEU 105 105 16729 1 . ARG 106 106 16729 1 . SER 107 107 16729 1 . ALA 108 108 16729 1 . PHE 109 109 16729 1 . SER 110 110 16729 1 . ALA 111 111 16729 1 . PRO 112 112 16729 1 . THR 113 113 16729 1 . SER 114 114 16729 1 . ALA 115 115 16729 1 . LEU 116 116 16729 1 . PHE 117 117 16729 1 . SER 118 118 16729 1 . ALA 119 119 16729 1 . SER 120 120 16729 1 . PRO 121 121 16729 1 . MET 122 122 16729 1 . ALA 123 123 16729 1 . GLN 124 124 16729 1 . PRO 125 125 16729 1 . ARG 126 126 16729 1 . THR 127 127 16729 1 . THR 128 128 16729 1 . ILE 129 129 16729 1 . SER 130 130 16729 1 . ASP 131 131 16729 1 . ALA 132 132 16729 1 . GLU 133 133 16729 1 . ILE 134 134 16729 1 . TRP 135 135 16729 1 . ASP 136 136 16729 1 . MET 137 137 16729 1 . VAL 138 138 16729 1 . SER 139 139 16729 1 . GLN 140 140 16729 1 . ASN 141 141 16729 1 . ILE 142 142 16729 1 . SER 143 143 16729 1 . ALA 144 144 16729 1 . ILE 145 145 16729 1 . GLY 146 146 16729 1 . ASP 147 147 16729 1 . SER 148 148 16729 1 . TYR 149 149 16729 1 . LEU 150 150 16729 1 . GLY 151 151 16729 1 . VAL 152 152 16729 1 . TYR 153 153 16729 1 . GLU 154 154 16729 1 . ASN 155 155 16729 1 . VAL 156 156 16729 1 . VAL 157 157 16729 1 . ALA 158 158 16729 1 . VAL 159 159 16729 1 . TYR 160 160 16729 1 . THR 161 161 16729 1 . ASP 162 162 16729 1 . PHE 163 163 16729 1 . TYR 164 164 16729 1 . GLN 165 165 16729 1 . ALA 166 166 16729 1 . PHE 167 167 16729 1 . SER 168 168 16729 1 . ASP 169 169 16729 1 . ILE 170 170 16729 1 . LEU 171 171 16729 1 . SER 172 172 16729 1 . LYS 173 173 16729 1 . MET 174 174 16729 1 . GLY 175 175 16729 1 . GLY 176 176 16729 1 . TRP 177 177 16729 1 . LEU 178 178 16729 1 . LEU 179 179 16729 1 . PRO 180 180 16729 1 . GLY 181 181 16729 1 . LYS 182 182 16729 1 . ASP 183 183 16729 1 . GLY 184 184 16729 1 . ASN 185 185 16729 1 . THR 186 186 16729 1 . VAL 187 187 16729 1 . LYS 188 188 16729 1 . LEU 189 189 16729 1 . ASP 190 190 16729 1 . VAL 191 191 16729 1 . THR 192 192 16729 1 . SER 193 193 16729 1 . LEU 194 194 16729 1 . LYS 195 195 16729 1 . ASN 196 196 16729 1 . ASP 197 197 16729 1 . LEU 198 198 16729 1 . ASN 199 199 16729 1 . SER 200 200 16729 1 . LEU 201 201 16729 1 . VAL 202 202 16729 1 . ASN 203 203 16729 1 . LYS 204 204 16729 1 . TYR 205 205 16729 1 . ASN 206 206 16729 1 . GLN 207 207 16729 1 . ILE 208 208 16729 1 . ASN 209 209 16729 1 . SER 210 210 16729 1 . ASN 211 211 16729 1 . THR 212 212 16729 1 . VAL 213 213 16729 1 . LEU 214 214 16729 1 . PHE 215 215 16729 1 . PRO 216 216 16729 1 . ALA 217 217 16729 1 . GLN 218 218 16729 1 . SER 219 219 16729 1 . GLY 220 220 16729 1 . SER 221 221 16729 1 . GLY 222 222 16729 1 . VAL 223 223 16729 1 . LYS 224 224 16729 1 . VAL 225 225 16729 1 . ALA 226 226 16729 1 . THR 227 227 16729 1 . GLU 228 228 16729 1 . ALA 229 229 16729 1 . GLU 230 230 16729 1 . ALA 231 231 16729 1 . ARG 232 232 16729 1 . GLN 233 233 16729 1 . TRP 234 234 16729 1 . LEU 235 235 16729 1 . SER 236 236 16729 1 . GLU 237 237 16729 1 . LEU 238 238 16729 1 . ASN 239 239 16729 1 . LEU 240 240 16729 1 . PRO 241 241 16729 1 . ASN 242 242 16729 1 . SER 243 243 16729 1 . CYS 244 244 16729 1 . LEU 245 245 16729 1 . LYS 246 246 16729 1 . SER 247 247 16729 1 . TYR 248 248 16729 1 . GLY 249 249 16729 1 . SER 250 250 16729 1 . GLY 251 251 16729 1 . TYR 252 252 16729 1 . VAL 253 253 16729 1 . VAL 254 254 16729 1 . THR 255 255 16729 1 . VAL 256 256 16729 1 . ASP 257 257 16729 1 . LEU 258 258 16729 1 . THR 259 259 16729 1 . PRO 260 260 16729 1 . LEU 261 261 16729 1 . GLN 262 262 16729 1 . LYS 263 263 16729 1 . MET 264 264 16729 1 . VAL 265 265 16729 1 . GLN 266 266 16729 1 . ASP 267 267 16729 1 . ILE 268 268 16729 1 . ASP 269 269 16729 1 . GLY 270 270 16729 1 . LEU 271 271 16729 1 . GLY 272 272 16729 1 . ALA 273 273 16729 1 . PRO 274 274 16729 1 . GLY 275 275 16729 1 . LYS 276 276 16729 1 . ASP 277 277 16729 1 . SER 278 278 16729 1 . LYS 279 279 16729 1 . LEU 280 280 16729 1 . GLU 281 281 16729 1 . MET 282 282 16729 1 . ASP 283 283 16729 1 . ASN 284 284 16729 1 . ALA 285 285 16729 1 . LYS 286 286 16729 1 . TYR 287 287 16729 1 . GLN 288 288 16729 1 . ALA 289 289 16729 1 . TRP 290 290 16729 1 . GLN 291 291 16729 1 . SER 292 292 16729 1 . GLY 293 293 16729 1 . PHE 294 294 16729 1 . LYS 295 295 16729 1 . ALA 296 296 16729 1 . GLN 297 297 16729 1 . GLU 298 298 16729 1 . GLU 299 299 16729 1 . ASN 300 300 16729 1 . MET 301 301 16729 1 . LYS 302 302 16729 1 . THR 303 303 16729 1 . THR 304 304 16729 1 . LEU 305 305 16729 1 . GLN 306 306 16729 1 . THR 307 307 16729 1 . LEU 308 308 16729 1 . THR 309 309 16729 1 . GLN 310 310 16729 1 . LYS 311 311 16729 1 . TYR 312 312 16729 1 . SER 313 313 16729 1 . ASN 314 314 16729 1 . ALA 315 315 16729 1 . ASN 316 316 16729 1 . SER 317 317 16729 1 . LEU 318 318 16729 1 . TYR 319 319 16729 1 . ASP 320 320 16729 1 . ASN 321 321 16729 1 . LEU 322 322 16729 1 . VAL 323 323 16729 1 . LYS 324 324 16729 1 . VAL 325 325 16729 1 . LEU 326 326 16729 1 . SER 327 327 16729 1 . SER 328 328 16729 1 . THR 329 329 16729 1 . ILE 330 330 16729 1 . SER 331 331 16729 1 . SER 332 332 16729 1 . SER 333 333 16729 1 . LEU 334 334 16729 1 . GLU 335 335 16729 1 . THR 336 336 16729 1 . ALA 337 337 16729 1 . LYS 338 338 16729 1 . SER 339 339 16729 1 . PHE 340 340 16729 1 . LEU 341 341 16729 1 . GLN 342 342 16729 1 . GLY 343 343 16729 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16729 _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 $SipD . 90371 organism . 'Salmonella typhimurium' 'Salmonella typhimurium' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . . . . . . . . . 16729 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 16729 _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 $SipD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 16729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16729 _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 SipD '[U-98% 15N]' . . 1 $SipD . . 0.6 . . mM 0.05 . . . 16729 1 2 SipD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $SipD . . 0.5 . . mM 0.05 . . . 16729 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16729 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16729 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 16729 1 6 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 16729 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 16729 _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' 0.08 . M 16729 1 pH 6.5 . pH 16729 1 pressure 1 . atm 16729 1 temperature 303 . K 16729 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16729 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16729 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16729 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16729 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16729 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16729 2 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 16729 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16729 _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 Avance . 800 . . . 16729 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 16729 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16729 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16729 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16729 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16729 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16729 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 16729 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16729 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16729 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16729 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 16729 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16729 1 2 '3D HNCO' . . . 16729 1 3 '3D HNCA' . . . 16729 1 4 '3D HNCACB' . . . 16729 1 5 '3D HN(CO)CA' . . . 16729 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 37 37 THR C C 13 177.104 0.000 . 1 . . . . 37 T C . 16729 1 2 . 1 1 38 38 THR H H 1 8.464 0.000 . 1 . . . . 38 T HN . 16729 1 3 . 1 1 38 38 THR C C 13 175.332 0.000 . 1 . . . . 38 T C . 16729 1 4 . 1 1 38 38 THR CA C 13 45.730 0.000 . 1 . . . . 38 T CA . 16729 1 5 . 1 1 38 38 THR N N 15 109.866 0.000 . 1 . . . . 38 T N . 16729 1 6 . 1 1 39 39 GLU H H 1 7.982 0.000 . 1 . . . . 39 E HN . 16729 1 7 . 1 1 39 39 GLU C C 13 175.573 0.000 . 1 . . . . 39 E C . 16729 1 8 . 1 1 39 39 GLU CA C 13 63.064 0.000 . 1 . . . . 39 E CA . 16729 1 9 . 1 1 39 39 GLU CB C 13 68.680 0.000 . 1 . . . . 39 E CB . 16729 1 10 . 1 1 39 39 GLU N N 15 114.303 0.000 . 1 . . . . 39 E N . 16729 1 11 . 1 1 40 40 HIS H H 1 8.294 0.000 . 1 . . . . 40 H HN . 16729 1 12 . 1 1 40 40 HIS CA C 13 55.592 0.000 . 1 . . . . 40 H CA . 16729 1 13 . 1 1 40 40 HIS CB C 13 39.386 0.000 . 1 . . . . 40 H CB . 16729 1 14 . 1 1 40 40 HIS N N 15 124.038 0.000 . 1 . . . . 40 H N . 16729 1 15 . 1 1 41 41 ARG H H 1 7.824 0.000 . 1 . . . . 41 R HN . 16729 1 16 . 1 1 41 41 ARG C C 13 178.014 0.000 . 1 . . . . 41 R C . 16729 1 17 . 1 1 41 41 ARG CA C 13 62.373 0.000 . 1 . . . . 41 R CA . 16729 1 18 . 1 1 41 41 ARG CB C 13 37.156 0.000 . 1 . . . . 41 R CB . 16729 1 19 . 1 1 41 41 ARG N N 15 120.331 0.000 . 1 . . . . 41 R N . 16729 1 20 . 1 1 42 42 GLY H H 1 7.826 0.000 . 1 . . . . 42 G HN . 16729 1 21 . 1 1 42 42 GLY N N 15 120.422 0.000 . 1 . . . . 42 G N . 16729 1 22 . 1 1 46 46 ILE H H 1 8.088 0.000 . 1 . . . . 46 I HN . 16729 1 23 . 1 1 46 46 ILE CA C 13 58.443 0.000 . 1 . . . . 46 I CA . 16729 1 24 . 1 1 46 46 ILE N N 15 121.957 0.000 . 1 . . . . 46 I N . 16729 1 25 . 1 1 47 47 SER H H 1 8.032 0.000 . 1 . . . . 47 S HN . 16729 1 26 . 1 1 47 47 SER C C 13 178.803 0.000 . 1 . . . . 47 S C . 16729 1 27 . 1 1 47 47 SER CA C 13 54.974 0.000 . 1 . . . . 47 S CA . 16729 1 28 . 1 1 47 47 SER N N 15 122.864 0.000 . 1 . . . . 47 S N . 16729 1 29 . 1 1 48 48 LEU H H 1 8.434 0.000 . 1 . . . . 48 L HN . 16729 1 30 . 1 1 48 48 LEU C C 13 180.608 0.000 . 1 . . . . 48 L C . 16729 1 31 . 1 1 48 48 LEU CA C 13 55.093 0.000 . 1 . . . . 48 L CA . 16729 1 32 . 1 1 48 48 LEU CB C 13 17.161 0.000 . 1 . . . . 48 L CB . 16729 1 33 . 1 1 48 48 LEU N N 15 119.538 0.000 . 1 . . . . 48 L N . 16729 1 34 . 1 1 49 49 SER H H 1 7.786 0.000 . 1 . . . . 49 S HN . 16729 1 35 . 1 1 49 49 SER C C 13 176.612 0.000 . 1 . . . . 49 S C . 16729 1 36 . 1 1 49 49 SER CA C 13 66.054 0.000 . 1 . . . . 49 S CA . 16729 1 37 . 1 1 49 49 SER CB C 13 68.463 0.000 . 1 . . . . 49 S CB . 16729 1 38 . 1 1 49 49 SER N N 15 114.375 0.000 . 1 . . . . 49 S N . 16729 1 39 . 1 1 50 50 GLN H H 1 7.820 0.000 . 1 . . . . 50 Q HN . 16729 1 40 . 1 1 50 50 GLN C C 13 180.001 0.000 . 1 . . . . 50 Q C . 16729 1 41 . 1 1 50 50 GLN CA C 13 58.532 0.000 . 1 . . . . 50 Q CA . 16729 1 42 . 1 1 50 50 GLN CB C 13 31.169 0.000 . 1 . . . . 50 Q CB . 16729 1 43 . 1 1 50 50 GLN N N 15 121.951 0.000 . 1 . . . . 50 Q N . 16729 1 44 . 1 1 51 51 ALA H H 1 8.742 0.000 . 1 . . . . 51 A HN . 16729 1 45 . 1 1 51 51 ALA C C 13 179.807 0.000 . 1 . . . . 51 A C . 16729 1 46 . 1 1 51 51 ALA CA C 13 65.645 0.000 . 1 . . . . 51 A CA . 16729 1 47 . 1 1 51 51 ALA CB C 13 36.916 0.000 . 1 . . . . 51 A CB . 16729 1 48 . 1 1 51 51 ALA N N 15 121.317 0.000 . 1 . . . . 51 A N . 16729 1 49 . 1 1 53 53 THR CA C 13 57.941 0.000 . 1 . . . . 53 T CA . 16729 1 50 . 1 1 54 54 LYS H H 1 8.310 0.000 . 1 . . . . 54 K HN . 16729 1 51 . 1 1 54 54 LYS C C 13 178.372 0.000 . 1 . . . . 54 K C . 16729 1 52 . 1 1 54 54 LYS CA C 13 52.857 0.000 . 1 . . . . 54 K CA . 16729 1 53 . 1 1 54 54 LYS CB C 13 18.239 0.000 . 1 . . . . 54 K CB . 16729 1 54 . 1 1 54 54 LYS N N 15 126.114 0.000 . 1 . . . . 54 K N . 16729 1 55 . 1 1 55 55 ILE H H 1 8.270 0.000 . 1 . . . . 55 I HN . 16729 1 56 . 1 1 55 55 ILE C C 13 176.980 0.000 . 1 . . . . 55 I C . 16729 1 57 . 1 1 55 55 ILE CA C 13 56.856 0.000 . 1 . . . . 55 I CA . 16729 1 58 . 1 1 55 55 ILE CB C 13 29.045 0.000 . 1 . . . . 55 I CB . 16729 1 59 . 1 1 55 55 ILE N N 15 119.602 0.000 . 1 . . . . 55 I N . 16729 1 60 . 1 1 56 56 HIS H H 1 8.191 0.000 . 1 . . . . 56 H HN . 16729 1 61 . 1 1 56 56 HIS C C 13 177.756 0.000 . 1 . . . . 56 H C . 16729 1 62 . 1 1 56 56 HIS CA C 13 57.064 0.000 . 1 . . . . 56 H CA . 16729 1 63 . 1 1 56 56 HIS CB C 13 29.023 0.000 . 1 . . . . 56 H CB . 16729 1 64 . 1 1 56 56 HIS N N 15 120.533 0.000 . 1 . . . . 56 H N . 16729 1 65 . 1 1 57 57 GLN H H 1 7.920 0.000 . 1 . . . . 57 Q HN . 16729 1 66 . 1 1 57 57 GLN C C 13 175.532 0.000 . 1 . . . . 57 Q C . 16729 1 67 . 1 1 57 57 GLN CA C 13 63.414 0.000 . 1 . . . . 57 Q CA . 16729 1 68 . 1 1 57 57 GLN CB C 13 68.789 0.000 . 1 . . . . 57 Q CB . 16729 1 69 . 1 1 57 57 GLN N N 15 115.429 0.000 . 1 . . . . 57 Q N . 16729 1 70 . 1 1 58 58 ALA H H 1 7.985 0.000 . 1 . . . . 58 A HN . 16729 1 71 . 1 1 58 58 ALA C C 13 179.623 0.000 . 1 . . . . 58 A C . 16729 1 72 . 1 1 58 58 ALA CA C 13 55.990 0.000 . 1 . . . . 58 A CA . 16729 1 73 . 1 1 58 58 ALA CB C 13 40.944 0.000 . 1 . . . . 58 A CB . 16729 1 74 . 1 1 58 58 ALA N N 15 123.795 0.000 . 1 . . . . 58 A N . 16729 1 75 . 1 1 59 59 GLN H H 1 8.170 0.000 . 1 . . . . 59 Q HN . 16729 1 76 . 1 1 59 59 GLN C C 13 178.267 0.000 . 1 . . . . 59 Q C . 16729 1 77 . 1 1 59 59 GLN CA C 13 56.855 0.000 . 1 . . . . 59 Q CA . 16729 1 78 . 1 1 59 59 GLN CB C 13 28.294 0.000 . 1 . . . . 59 Q CB . 16729 1 79 . 1 1 59 59 GLN N N 15 116.802 0.000 . 1 . . . . 59 Q N . 16729 1 80 . 1 1 60 60 GLN H H 1 7.592 0.000 . 1 . . . . 60 Q HN . 16729 1 81 . 1 1 60 60 GLN CA C 13 59.241 0.000 . 1 . . . . 60 Q CA . 16729 1 82 . 1 1 60 60 GLN CB C 13 64.835 0.000 . 1 . . . . 60 Q CB . 16729 1 83 . 1 1 60 60 GLN N N 15 111.699 0.000 . 1 . . . . 60 Q N . 16729 1 84 . 1 1 63 63 GLN C C 13 176.896 0.000 . 1 . . . . 63 Q C . 16729 1 85 . 1 1 63 63 GLN CA C 13 62.405 0.000 . 1 . . . . 63 Q CA . 16729 1 86 . 1 1 63 63 GLN CB C 13 31.071 0.000 . 1 . . . . 63 Q CB . 16729 1 87 . 1 1 64 64 SER H H 1 8.109 0.000 . 1 . . . . 64 S HN . 16729 1 88 . 1 1 64 64 SER C C 13 176.320 0.000 . 1 . . . . 64 S C . 16729 1 89 . 1 1 64 64 SER CA C 13 60.730 0.000 . 1 . . . . 64 S CA . 16729 1 90 . 1 1 64 64 SER CB C 13 37.919 0.000 . 1 . . . . 64 S CB . 16729 1 91 . 1 1 64 64 SER N N 15 121.205 0.000 . 1 . . . . 64 S N . 16729 1 92 . 1 1 65 65 THR H H 1 8.252 0.000 . 1 . . . . 65 T HN . 16729 1 93 . 1 1 65 65 THR C C 13 174.444 0.000 . 1 . . . . 65 T C . 16729 1 94 . 1 1 65 65 THR CA C 13 57.721 0.000 . 1 . . . . 65 T CA . 16729 1 95 . 1 1 65 65 THR CB C 13 63.615 0.000 . 1 . . . . 65 T CB . 16729 1 96 . 1 1 65 65 THR N N 15 120.008 0.000 . 1 . . . . 65 T N . 16729 1 97 . 1 1 66 66 PRO C C 13 176.403 0.000 . 1 . . . . 66 P C . 16729 1 98 . 1 1 66 66 PRO CA C 13 56.241 0.000 . 1 . . . . 66 P CA . 16729 1 99 . 1 1 66 66 PRO CB C 13 29.508 0.000 . 1 . . . . 66 P CB . 16729 1 100 . 1 1 66 66 PRO N N 15 123.756 0.000 . 1 . . . . 66 P N . 16729 1 101 . 1 1 67 67 PRO C C 13 176.140 0.000 . 1 . . . . 67 P C . 16729 1 102 . 1 1 67 67 PRO CA C 13 56.272 0.000 . 1 . . . . 67 P CA . 16729 1 103 . 1 1 67 67 PRO CB C 13 29.489 0.000 . 1 . . . . 67 P CB . 16729 1 104 . 1 1 67 67 PRO N N 15 121.840 0.000 . 1 . . . . 67 P N . 16729 1 105 . 1 1 68 68 ILE C C 13 177.842 0.000 . 1 . . . . 68 I C . 16729 1 106 . 1 1 69 69 SER H H 1 8.233 0.000 . 1 . . . . 69 S HN . 16729 1 107 . 1 1 69 69 SER C C 13 179.284 0.000 . 1 . . . . 69 S C . 16729 1 108 . 1 1 69 69 SER CA C 13 55.355 0.000 . 1 . . . . 69 S CA . 16729 1 109 . 1 1 69 69 SER N N 15 121.314 0.000 . 1 . . . . 69 S N . 16729 1 110 . 1 1 70 70 GLU H H 1 8.709 0.000 . 1 . . . . 70 E HN . 16729 1 111 . 1 1 70 70 GLU C C 13 178.885 0.000 . 1 . . . . 70 E C . 16729 1 112 . 1 1 70 70 GLU CA C 13 57.245 0.000 . 1 . . . . 70 E CA . 16729 1 113 . 1 1 70 70 GLU N N 15 125.426 0.000 . 1 . . . . 70 E N . 16729 1 114 . 1 1 71 71 GLU H H 1 7.571 0.000 . 1 . . . . 71 E HN . 16729 1 115 . 1 1 71 71 GLU C C 13 180.097 0.000 . 1 . . . . 71 E C . 16729 1 116 . 1 1 71 71 GLU CA C 13 59.121 0.000 . 1 . . . . 71 E CA . 16729 1 117 . 1 1 71 71 GLU N N 15 120.965 0.000 . 1 . . . . 71 E N . 16729 1 118 . 1 1 72 72 ASN H H 1 8.101 0.000 . 1 . . . . 72 N HN . 16729 1 119 . 1 1 72 72 ASN C C 13 178.127 0.000 . 1 . . . . 72 N C . 16729 1 120 . 1 1 72 72 ASN CA C 13 59.980 0.000 . 1 . . . . 72 N CA . 16729 1 121 . 1 1 72 72 ASN CB C 13 29.086 0.000 . 1 . . . . 72 N CB . 16729 1 122 . 1 1 72 72 ASN N N 15 121.146 0.000 . 1 . . . . 72 N N . 16729 1 123 . 1 1 73 73 ASN H H 1 8.566 0.000 . 1 . . . . 73 N HN . 16729 1 124 . 1 1 73 73 ASN C C 13 177.777 0.000 . 1 . . . . 73 N C . 16729 1 125 . 1 1 73 73 ASN CA C 13 66.920 0.000 . 1 . . . . 73 N CA . 16729 1 126 . 1 1 73 73 ASN CB C 13 68.003 0.000 . 1 . . . . 73 N CB . 16729 1 127 . 1 1 73 73 ASN N N 15 117.742 0.000 . 1 . . . . 73 N N . 16729 1 128 . 1 1 74 74 ASP H H 1 8.283 0.000 . 1 . . . . 74 D HN . 16729 1 129 . 1 1 74 74 ASP C C 13 179.456 0.000 . 1 . . . . 74 D C . 16729 1 130 . 1 1 74 74 ASP CA C 13 57.695 0.000 . 1 . . . . 74 D CA . 16729 1 131 . 1 1 74 74 ASP CB C 13 40.328 0.000 . 1 . . . . 74 D CB . 16729 1 132 . 1 1 74 74 ASP N N 15 124.788 0.000 . 1 . . . . 74 D N . 16729 1 133 . 1 1 75 75 GLU H H 1 7.929 0.000 . 1 . . . . 75 E HN . 16729 1 134 . 1 1 75 75 GLU C C 13 180.426 0.000 . 1 . . . . 75 E C . 16729 1 135 . 1 1 75 75 GLU CA C 13 54.735 0.000 . 1 . . . . 75 E CA . 16729 1 136 . 1 1 75 75 GLU CB C 13 16.887 0.000 . 1 . . . . 75 E CB . 16729 1 137 . 1 1 75 75 GLU N N 15 122.901 0.000 . 1 . . . . 75 E N . 16729 1 138 . 1 1 76 76 ARG H H 1 7.596 0.000 . 1 . . . . 76 R HN . 16729 1 139 . 1 1 76 76 ARG C C 13 178.921 0.000 . 1 . . . . 76 R C . 16729 1 140 . 1 1 76 76 ARG CA C 13 60.728 0.000 . 1 . . . . 76 R CA . 16729 1 141 . 1 1 76 76 ARG CB C 13 29.899 0.000 . 1 . . . . 76 R CB . 16729 1 142 . 1 1 76 76 ARG N N 15 116.427 0.000 . 1 . . . . 76 R N . 16729 1 143 . 1 1 77 77 THR H H 1 8.221 0.000 . 1 . . . . 77 T HN . 16729 1 144 . 1 1 77 77 THR C C 13 177.143 0.000 . 1 . . . . 77 T C . 16729 1 145 . 1 1 77 77 THR CA C 13 58.392 0.000 . 1 . . . . 77 T CA . 16729 1 146 . 1 1 77 77 THR CB C 13 27.306 0.000 . 1 . . . . 77 T CB . 16729 1 147 . 1 1 77 77 THR N N 15 121.247 0.000 . 1 . . . . 77 T N . 16729 1 148 . 1 1 78 78 LEU H H 1 8.353 0.000 . 1 . . . . 78 L HN . 16729 1 149 . 1 1 78 78 LEU C C 13 179.194 0.000 . 1 . . . . 78 L C . 16729 1 150 . 1 1 78 78 LEU CA C 13 58.261 0.000 . 1 . . . . 78 L CA . 16729 1 151 . 1 1 78 78 LEU CB C 13 27.507 0.000 . 1 . . . . 78 L CB . 16729 1 152 . 1 1 78 78 LEU N N 15 120.741 0.000 . 1 . . . . 78 L N . 16729 1 153 . 1 1 79 79 ALA H H 1 7.910 0.000 . 1 . . . . 79 A HN . 16729 1 154 . 1 1 79 79 ALA C C 13 179.190 0.000 . 1 . . . . 79 A C . 16729 1 155 . 1 1 79 79 ALA CA C 13 59.428 0.000 . 1 . . . . 79 A CA . 16729 1 156 . 1 1 79 79 ALA CB C 13 41.090 0.000 . 1 . . . . 79 A CB . 16729 1 157 . 1 1 79 79 ALA N N 15 123.104 0.000 . 1 . . . . 79 A N . 16729 1 158 . 1 1 80 80 ARG H H 1 8.767 0.000 . 1 . . . . 80 R HN . 16729 1 159 . 1 1 80 80 ARG C C 13 177.578 0.000 . 1 . . . . 80 R C . 16729 1 160 . 1 1 80 80 ARG CA C 13 66.679 0.000 . 1 . . . . 80 R CA . 16729 1 161 . 1 1 80 80 ARG CB C 13 67.620 0.000 . 1 . . . . 80 R CB . 16729 1 162 . 1 1 80 80 ARG N N 15 115.133 0.000 . 1 . . . . 80 R N . 16729 1 163 . 1 1 81 81 GLN H H 1 8.537 0.000 . 1 . . . . 81 Q HN . 16729 1 164 . 1 1 81 81 GLN CA C 13 61.763 0.000 . 1 . . . . 81 Q CA . 16729 1 165 . 1 1 81 81 GLN N N 15 118.296 0.000 . 1 . . . . 81 Q N . 16729 1 166 . 1 1 82 82 GLN C C 13 178.156 0.000 . 1 . . . . 82 Q C . 16729 1 167 . 1 1 82 82 GLN CA C 13 63.761 0.000 . 1 . . . . 82 Q CA . 16729 1 168 . 1 1 83 83 LEU H H 1 7.717 0.000 . 1 . . . . 83 L HN . 16729 1 169 . 1 1 83 83 LEU C C 13 178.635 0.000 . 1 . . . . 83 L C . 16729 1 170 . 1 1 83 83 LEU CA C 13 57.189 0.000 . 1 . . . . 83 L CA . 16729 1 171 . 1 1 83 83 LEU CB C 13 40.172 0.000 . 1 . . . . 83 L CB . 16729 1 172 . 1 1 83 83 LEU N N 15 122.795 0.000 . 1 . . . . 83 L N . 16729 1 173 . 1 1 84 84 THR H H 1 8.175 0.000 . 1 . . . . 84 T HN . 16729 1 174 . 1 1 84 84 THR C C 13 177.724 0.000 . 1 . . . . 84 T C . 16729 1 175 . 1 1 84 84 THR CA C 13 55.468 0.000 . 1 . . . . 84 T CA . 16729 1 176 . 1 1 84 84 THR CB C 13 37.342 0.000 . 1 . . . . 84 T CB . 16729 1 177 . 1 1 84 84 THR N N 15 118.577 0.000 . 1 . . . . 84 T N . 16729 1 178 . 1 1 85 85 SER H H 1 7.637 0.000 . 1 . . . . 85 S HN . 16729 1 179 . 1 1 85 85 SER C C 13 181.069 0.000 . 1 . . . . 85 S C . 16729 1 180 . 1 1 85 85 SER CA C 13 54.435 0.000 . 1 . . . . 85 S CA . 16729 1 181 . 1 1 85 85 SER CB C 13 17.066 0.000 . 1 . . . . 85 S CB . 16729 1 182 . 1 1 85 85 SER N N 15 122.117 0.000 . 1 . . . . 85 S N . 16729 1 183 . 1 1 86 86 SER H H 1 7.492 0.000 . 1 . . . . 86 S HN . 16729 1 184 . 1 1 86 86 SER C C 13 179.179 0.000 . 1 . . . . 86 S C . 16729 1 185 . 1 1 86 86 SER CA C 13 57.187 0.000 . 1 . . . . 86 S CA . 16729 1 186 . 1 1 86 86 SER CB C 13 38.785 0.000 . 1 . . . . 86 S CB . 16729 1 187 . 1 1 86 86 SER N N 15 120.922 0.000 . 1 . . . . 86 S N . 16729 1 188 . 1 1 87 87 LEU H H 1 7.687 0.000 . 1 . . . . 87 L HN . 16729 1 189 . 1 1 87 87 LEU C C 13 180.396 0.000 . 1 . . . . 87 L C . 16729 1 190 . 1 1 87 87 LEU CA C 13 54.589 0.000 . 1 . . . . 87 L CA . 16729 1 191 . 1 1 87 87 LEU CB C 13 18.043 0.000 . 1 . . . . 87 L CB . 16729 1 192 . 1 1 87 87 LEU N N 15 121.496 0.000 . 1 . . . . 87 L N . 16729 1 193 . 1 1 88 88 ASN H H 1 7.690 0.000 . 1 . . . . 88 N HN . 16729 1 194 . 1 1 88 88 ASN C C 13 178.196 0.000 . 1 . . . . 88 N C . 16729 1 195 . 1 1 88 88 ASN CA C 13 56.950 0.000 . 1 . . . . 88 N CA . 16729 1 196 . 1 1 88 88 ASN CB C 13 31.504 0.000 . 1 . . . . 88 N CB . 16729 1 197 . 1 1 88 88 ASN N N 15 117.256 0.000 . 1 . . . . 88 N N . 16729 1 198 . 1 1 89 89 ALA H H 1 7.647 0.000 . 1 . . . . 89 A HN . 16729 1 199 . 1 1 89 89 ALA C C 13 174.935 0.000 . 1 . . . . 89 A C . 16729 1 200 . 1 1 89 89 ALA CA C 13 59.663 0.000 . 1 . . . . 89 A CA . 16729 1 201 . 1 1 89 89 ALA CB C 13 63.909 0.000 . 1 . . . . 89 A CB . 16729 1 202 . 1 1 89 89 ALA N N 15 114.091 0.000 . 1 . . . . 89 A N . 16729 1 203 . 1 1 90 90 LEU H H 1 7.940 0.000 . 1 . . . . 90 L HN . 16729 1 204 . 1 1 90 90 LEU C C 13 174.667 0.000 . 1 . . . . 90 L C . 16729 1 205 . 1 1 90 90 LEU CA C 13 45.864 0.000 . 1 . . . . 90 L CA . 16729 1 206 . 1 1 90 90 LEU N N 15 111.004 0.000 . 1 . . . . 90 L N . 16729 1 207 . 1 1 91 91 ALA H H 1 7.485 0.000 . 1 . . . . 91 A HN . 16729 1 208 . 1 1 91 91 ALA C C 13 175.946 0.000 . 1 . . . . 91 A C . 16729 1 209 . 1 1 91 91 ALA CA C 13 63.165 0.000 . 1 . . . . 91 A CA . 16729 1 210 . 1 1 91 91 ALA CB C 13 31.089 0.000 . 1 . . . . 91 A CB . 16729 1 211 . 1 1 91 91 ALA N N 15 120.526 0.000 . 1 . . . . 91 A N . 16729 1 212 . 1 1 92 92 LYS H H 1 8.601 0.000 . 1 . . . . 92 K HN . 16729 1 213 . 1 1 92 92 LYS C C 13 173.575 0.000 . 1 . . . . 92 K C . 16729 1 214 . 1 1 92 92 LYS CA C 13 57.260 0.000 . 1 . . . . 92 K CA . 16729 1 215 . 1 1 92 92 LYS CB C 13 64.314 0.000 . 1 . . . . 92 K CB . 16729 1 216 . 1 1 92 92 LYS N N 15 124.675 0.000 . 1 . . . . 92 K N . 16729 1 217 . 1 1 93 93 SER H H 1 8.506 0.000 . 1 . . . . 93 S HN . 16729 1 218 . 1 1 93 93 SER C C 13 177.301 0.000 . 1 . . . . 93 S C . 16729 1 219 . 1 1 93 93 SER CA C 13 52.738 0.000 . 1 . . . . 93 S CA . 16729 1 220 . 1 1 93 93 SER CB C 13 42.645 0.000 . 1 . . . . 93 S CB . 16729 1 221 . 1 1 93 93 SER N N 15 124.220 0.000 . 1 . . . . 93 S N . 16729 1 222 . 1 1 94 94 GLY H H 1 8.624 0.000 . 1 . . . . 94 G HN . 16729 1 223 . 1 1 94 94 GLY C C 13 174.689 0.000 . 1 . . . . 94 G C . 16729 1 224 . 1 1 94 94 GLY CA C 13 56.985 0.000 . 1 . . . . 94 G CA . 16729 1 225 . 1 1 94 94 GLY N N 15 117.335 0.000 . 1 . . . . 94 G N . 16729 1 226 . 1 1 95 95 VAL H H 1 8.851 0.000 . 1 . . . . 95 V HN . 16729 1 227 . 1 1 95 95 VAL C C 13 180.672 0.000 . 1 . . . . 95 V C . 16729 1 228 . 1 1 95 95 VAL CA C 13 55.392 0.000 . 1 . . . . 95 V CA . 16729 1 229 . 1 1 95 95 VAL CB C 13 17.208 0.000 . 1 . . . . 95 V CB . 16729 1 230 . 1 1 95 95 VAL N N 15 124.594 0.000 . 1 . . . . 95 V N . 16729 1 231 . 1 1 96 96 SER H H 1 8.633 0.000 . 1 . . . . 96 S HN . 16729 1 232 . 1 1 96 96 SER C C 13 179.069 0.000 . 1 . . . . 96 S C . 16729 1 233 . 1 1 96 96 SER CA C 13 59.211 0.000 . 1 . . . . 96 S CA . 16729 1 234 . 1 1 96 96 SER CB C 13 28.592 0.000 . 1 . . . . 96 S CB . 16729 1 235 . 1 1 96 96 SER N N 15 118.064 0.000 . 1 . . . . 96 S N . 16729 1 236 . 1 1 97 97 LEU H H 1 7.577 0.000 . 1 . . . . 97 L HN . 16729 1 237 . 1 1 97 97 LEU C C 13 178.494 0.000 . 1 . . . . 97 L C . 16729 1 238 . 1 1 97 97 LEU CA C 13 58.058 0.000 . 1 . . . . 97 L CA . 16729 1 239 . 1 1 97 97 LEU CB C 13 28.716 0.000 . 1 . . . . 97 L CB . 16729 1 240 . 1 1 97 97 LEU N N 15 119.469 0.000 . 1 . . . . 97 L N . 16729 1 241 . 1 1 98 98 SER H H 1 8.414 0.000 . 1 . . . . 98 S HN . 16729 1 242 . 1 1 98 98 SER C C 13 177.147 0.000 . 1 . . . . 98 S C . 16729 1 243 . 1 1 98 98 SER CA C 13 56.304 0.000 . 1 . . . . 98 S CA . 16729 1 244 . 1 1 98 98 SER CB C 13 37.939 0.000 . 1 . . . . 98 S CB . 16729 1 245 . 1 1 98 98 SER N N 15 118.818 0.000 . 1 . . . . 98 S N . 16729 1 246 . 1 1 101 101 GLN H H 1 7.919 0.000 . 1 . . . . 101 Q HN . 16729 1 247 . 1 1 101 101 GLN C C 13 178.719 0.000 . 1 . . . . 101 Q C . 16729 1 248 . 1 1 101 101 GLN CA C 13 57.505 0.000 . 1 . . . . 101 Q CA . 16729 1 249 . 1 1 101 101 GLN CB C 13 40.559 0.000 . 1 . . . . 101 Q CB . 16729 1 250 . 1 1 101 101 GLN N N 15 119.650 0.000 . 1 . . . . 101 Q N . 16729 1 251 . 1 1 102 102 ASN H H 1 8.447 0.000 . 1 . . . . 102 N HN . 16729 1 252 . 1 1 102 102 ASN C C 13 179.571 0.000 . 1 . . . . 102 N C . 16729 1 253 . 1 1 102 102 ASN CA C 13 59.791 0.000 . 1 . . . . 102 N CA . 16729 1 254 . 1 1 102 102 ASN CB C 13 29.036 0.000 . 1 . . . . 102 N CB . 16729 1 255 . 1 1 102 102 ASN N N 15 119.417 0.000 . 1 . . . . 102 N N . 16729 1 256 . 1 1 103 103 GLU H H 1 8.387 0.000 . 1 . . . . 103 E HN . 16729 1 257 . 1 1 103 103 GLU C C 13 176.689 0.000 . 1 . . . . 103 E C . 16729 1 258 . 1 1 103 103 GLU CA C 13 60.955 0.000 . 1 . . . . 103 E CA . 16729 1 259 . 1 1 103 103 GLU CB C 13 62.385 0.000 . 1 . . . . 103 E CB . 16729 1 260 . 1 1 103 103 GLU N N 15 114.183 0.000 . 1 . . . . 103 E N . 16729 1 261 . 1 1 104 104 ASN H H 1 7.628 0.000 . 1 . . . . 104 N HN . 16729 1 262 . 1 1 104 104 ASN C C 13 178.857 0.000 . 1 . . . . 104 N C . 16729 1 263 . 1 1 104 104 ASN CA C 13 53.905 0.000 . 1 . . . . 104 N CA . 16729 1 264 . 1 1 104 104 ASN CB C 13 18.547 0.000 . 1 . . . . 104 N CB . 16729 1 265 . 1 1 104 104 ASN N N 15 122.091 0.000 . 1 . . . . 104 N N . 16729 1 266 . 1 1 105 105 LEU H H 1 7.879 0.000 . 1 . . . . 105 L HN . 16729 1 267 . 1 1 105 105 LEU C C 13 175.245 0.000 . 1 . . . . 105 L C . 16729 1 268 . 1 1 105 105 LEU CA C 13 59.332 0.000 . 1 . . . . 105 L CA . 16729 1 269 . 1 1 105 105 LEU CB C 13 38.409 0.000 . 1 . . . . 105 L CB . 16729 1 270 . 1 1 105 105 LEU N N 15 112.118 0.000 . 1 . . . . 105 L N . 16729 1 271 . 1 1 106 106 ARG H H 1 7.516 0.000 . 1 . . . . 106 R HN . 16729 1 272 . 1 1 106 106 ARG C C 13 174.184 0.000 . 1 . . . . 106 R C . 16729 1 273 . 1 1 106 106 ARG CA C 13 59.127 0.000 . 1 . . . . 106 R CA . 16729 1 274 . 1 1 106 106 ARG CB C 13 63.820 0.000 . 1 . . . . 106 R CB . 16729 1 275 . 1 1 106 106 ARG N N 15 113.816 0.000 . 1 . . . . 106 R N . 16729 1 276 . 1 1 107 107 SER H H 1 7.645 0.000 . 1 . . . . 107 S HN . 16729 1 277 . 1 1 107 107 SER C C 13 175.728 0.000 . 1 . . . . 107 S C . 16729 1 278 . 1 1 107 107 SER CA C 13 51.655 0.000 . 1 . . . . 107 S CA . 16729 1 279 . 1 1 107 107 SER CB C 13 17.033 0.000 . 1 . . . . 107 S CB . 16729 1 280 . 1 1 107 107 SER N N 15 125.922 0.000 . 1 . . . . 107 S N . 16729 1 281 . 1 1 108 108 ALA C C 13 177.568 0.000 . 1 . . . . 108 A C . 16729 1 282 . 1 1 108 108 ALA CA C 13 63.315 0.000 . 1 . . . . 108 A CA . 16729 1 283 . 1 1 108 108 ALA CB C 13 30.686 0.000 . 1 . . . . 108 A CB . 16729 1 284 . 1 1 109 109 PHE H H 1 7.828 0.000 . 1 . . . . 109 F HN . 16729 1 285 . 1 1 109 109 PHE CA C 13 62.358 0.000 . 1 . . . . 109 F CA . 16729 1 286 . 1 1 109 109 PHE CB C 13 68.815 0.000 . 1 . . . . 109 F CB . 16729 1 287 . 1 1 109 109 PHE N N 15 112.212 0.000 . 1 . . . . 109 F N . 16729 1 288 . 1 1 110 110 SER H H 1 7.859 0.000 . 1 . . . . 110 S HN . 16729 1 289 . 1 1 110 110 SER CA C 13 58.776 0.000 . 1 . . . . 110 S CA . 16729 1 290 . 1 1 110 110 SER N N 15 116.697 0.000 . 1 . . . . 110 S N . 16729 1 291 . 1 1 111 111 ALA H H 1 8.021 0.000 . 1 . . . . 111 A HN . 16729 1 292 . 1 1 111 111 ALA C C 13 178.179 0.000 . 1 . . . . 111 A C . 16729 1 293 . 1 1 111 111 ALA CA C 13 52.960 0.000 . 1 . . . . 111 A CA . 16729 1 294 . 1 1 111 111 ALA N N 15 125.687 0.000 . 1 . . . . 111 A N . 16729 1 295 . 1 1 112 112 PRO C C 13 177.166 0.000 . 1 . . . . 112 P C . 16729 1 296 . 1 1 112 112 PRO CA C 13 55.566 0.000 . 1 . . . . 112 P CA . 16729 1 297 . 1 1 112 112 PRO CB C 13 40.655 0.000 . 1 . . . . 112 P CB . 16729 1 298 . 1 1 112 112 PRO N N 15 118.185 0.000 . 1 . . . . 112 P N . 16729 1 299 . 1 1 113 113 THR H H 1 7.385 0.000 . 1 . . . . 113 T HN . 16729 1 300 . 1 1 113 113 THR C C 13 175.893 0.000 . 1 . . . . 113 T C . 16729 1 301 . 1 1 113 113 THR CA C 13 57.085 0.000 . 1 . . . . 113 T CA . 16729 1 302 . 1 1 113 113 THR CB C 13 38.407 0.000 . 1 . . . . 113 T CB . 16729 1 303 . 1 1 113 113 THR N N 15 116.632 0.000 . 1 . . . . 113 T N . 16729 1 304 . 1 1 114 114 SER H H 1 7.809 0.000 . 1 . . . . 114 S HN . 16729 1 305 . 1 1 114 114 SER C C 13 174.157 0.000 . 1 . . . . 114 S C . 16729 1 306 . 1 1 114 114 SER CA C 13 58.528 0.000 . 1 . . . . 114 S CA . 16729 1 307 . 1 1 114 114 SER CB C 13 63.340 0.000 . 1 . . . . 114 S CB . 16729 1 308 . 1 1 114 114 SER N N 15 115.593 0.000 . 1 . . . . 114 S N . 16729 1 309 . 1 1 115 115 ALA H H 1 8.013 0.000 . 1 . . . . 115 A HN . 16729 1 310 . 1 1 115 115 ALA C C 13 177.323 0.000 . 1 . . . . 115 A C . 16729 1 311 . 1 1 115 115 ALA CA C 13 51.911 0.000 . 1 . . . . 115 A CA . 16729 1 312 . 1 1 115 115 ALA CB C 13 18.514 0.000 . 1 . . . . 115 A CB . 16729 1 313 . 1 1 115 115 ALA N N 15 125.165 0.000 . 1 . . . . 115 A N . 16729 1 314 . 1 1 116 116 LEU H H 1 7.995 0.000 . 1 . . . . 116 L HN . 16729 1 315 . 1 1 116 116 LEU C C 13 173.225 0.000 . 1 . . . . 116 L C . 16729 1 316 . 1 1 116 116 LEU CA C 13 55.983 0.000 . 1 . . . . 116 L CA . 16729 1 317 . 1 1 116 116 LEU CB C 13 63.322 0.000 . 1 . . . . 116 L CB . 16729 1 318 . 1 1 116 116 LEU N N 15 115.700 0.000 . 1 . . . . 116 L N . 16729 1 319 . 1 1 117 117 PHE C C 13 177.284 0.000 . 1 . . . . 117 F C . 16729 1 320 . 1 1 117 117 PHE CA C 13 63.367 0.000 . 1 . . . . 117 F CA . 16729 1 321 . 1 1 117 117 PHE CB C 13 32.376 0.000 . 1 . . . . 117 F CB . 16729 1 322 . 1 1 118 118 SER H H 1 8.111 0.000 . 1 . . . . 118 S HN . 16729 1 323 . 1 1 118 118 SER C C 13 175.763 0.000 . 1 . . . . 118 S C . 16729 1 324 . 1 1 118 118 SER CA C 13 55.454 0.000 . 1 . . . . 118 S CA . 16729 1 325 . 1 1 118 118 SER CB C 13 31.212 0.000 . 1 . . . . 118 S CB . 16729 1 326 . 1 1 118 118 SER N N 15 118.780 0.000 . 1 . . . . 118 S N . 16729 1 327 . 1 1 119 119 ALA H H 1 7.965 0.000 . 1 . . . . 119 A HN . 16729 1 328 . 1 1 119 119 ALA C C 13 176.890 0.000 . 1 . . . . 119 A C . 16729 1 329 . 1 1 119 119 ALA CA C 13 51.816 0.000 . 1 . . . . 119 A CA . 16729 1 330 . 1 1 119 119 ALA CB C 13 18.527 0.000 . 1 . . . . 119 A CB . 16729 1 331 . 1 1 119 119 ALA N N 15 124.444 0.000 . 1 . . . . 119 A N . 16729 1 332 . 1 1 120 120 SER H H 1 7.878 0.000 . 1 . . . . 120 S HN . 16729 1 333 . 1 1 120 120 SER C C 13 174.046 0.000 . 1 . . . . 120 S C . 16729 1 334 . 1 1 120 120 SER CA C 13 53.088 0.000 . 1 . . . . 120 S CA . 16729 1 335 . 1 1 120 120 SER CB C 13 27.961 0.000 . 1 . . . . 120 S CB . 16729 1 336 . 1 1 120 120 SER N N 15 119.670 0.000 . 1 . . . . 120 S N . 16729 1 337 . 1 1 121 121 PRO C C 13 176.848 0.000 . 1 . . . . 121 P C . 16729 1 338 . 1 1 121 121 PRO CA C 13 62.694 0.000 . 1 . . . . 121 P CA . 16729 1 339 . 1 1 121 121 PRO CB C 13 31.220 0.000 . 1 . . . . 121 P CB . 16729 1 340 . 1 1 122 122 MET H H 1 8.406 0.000 . 1 . . . . 122 M HN . 16729 1 341 . 1 1 122 122 MET C C 13 176.459 0.000 . 1 . . . . 122 M C . 16729 1 342 . 1 1 122 122 MET CA C 13 55.546 0.000 . 1 . . . . 122 M CA . 16729 1 343 . 1 1 122 122 MET CB C 13 29.915 0.000 . 1 . . . . 122 M CB . 16729 1 344 . 1 1 122 122 MET N N 15 121.797 0.000 . 1 . . . . 122 M N . 16729 1 345 . 1 1 123 123 ALA H H 1 8.079 0.000 . 1 . . . . 123 A HN . 16729 1 346 . 1 1 123 123 ALA C C 13 174.475 0.000 . 1 . . . . 123 A C . 16729 1 347 . 1 1 123 123 ALA CA C 13 61.495 0.000 . 1 . . . . 123 A CA . 16729 1 348 . 1 1 123 123 ALA CB C 13 69.179 0.000 . 1 . . . . 123 A CB . 16729 1 349 . 1 1 123 123 ALA N N 15 115.034 0.000 . 1 . . . . 123 A N . 16729 1 350 . 1 1 124 124 GLN H H 1 8.019 0.000 . 1 . . . . 124 Q HN . 16729 1 351 . 1 1 124 124 GLN C C 13 173.997 0.000 . 1 . . . . 124 Q C . 16729 1 352 . 1 1 124 124 GLN CA C 13 61.343 0.000 . 1 . . . . 124 Q CA . 16729 1 353 . 1 1 124 124 GLN CB C 13 69.212 0.000 . 1 . . . . 124 Q CB . 16729 1 354 . 1 1 124 124 GLN N N 15 116.642 0.000 . 1 . . . . 124 Q N . 16729 1 355 . 1 1 125 125 PRO C C 13 175.816 0.000 . 1 . . . . 125 P C . 16729 1 356 . 1 1 125 125 PRO CA C 13 60.209 0.000 . 1 . . . . 125 P CA . 16729 1 357 . 1 1 125 125 PRO CB C 13 38.377 0.000 . 1 . . . . 125 P CB . 16729 1 358 . 1 1 125 125 PRO N N 15 123.853 0.000 . 1 . . . . 125 P N . 16729 1 359 . 1 1 126 126 ARG H H 1 8.453 0.000 . 1 . . . . 126 R HN . 16729 1 360 . 1 1 126 126 ARG C C 13 174.762 0.000 . 1 . . . . 126 R C . 16729 1 361 . 1 1 126 126 ARG CA C 13 57.692 0.000 . 1 . . . . 126 R CA . 16729 1 362 . 1 1 126 126 ARG CB C 13 64.303 0.000 . 1 . . . . 126 R CB . 16729 1 363 . 1 1 126 126 ARG N N 15 121.623 0.000 . 1 . . . . 126 R N . 16729 1 364 . 1 1 127 127 THR H H 1 8.509 0.000 . 1 . . . . 127 T HN . 16729 1 365 . 1 1 127 127 THR C C 13 177.210 0.000 . 1 . . . . 127 T C . 16729 1 366 . 1 1 127 127 THR CA C 13 55.981 0.000 . 1 . . . . 127 T CA . 16729 1 367 . 1 1 127 127 THR CB C 13 39.572 0.000 . 1 . . . . 127 T CB . 16729 1 368 . 1 1 127 127 THR N N 15 122.618 0.000 . 1 . . . . 127 T N . 16729 1 369 . 1 1 128 128 THR H H 1 7.992 0.000 . 1 . . . . 128 T HN . 16729 1 370 . 1 1 128 128 THR C C 13 178.723 0.000 . 1 . . . . 128 T C . 16729 1 371 . 1 1 128 128 THR CA C 13 53.559 0.000 . 1 . . . . 128 T CA . 16729 1 372 . 1 1 128 128 THR CB C 13 18.273 0.000 . 1 . . . . 128 T CB . 16729 1 373 . 1 1 128 128 THR N N 15 121.299 0.000 . 1 . . . . 128 T N . 16729 1 374 . 1 1 129 129 ILE H H 1 7.758 0.000 . 1 . . . . 129 I HN . 16729 1 375 . 1 1 129 129 ILE C C 13 178.327 0.000 . 1 . . . . 129 I C . 16729 1 376 . 1 1 129 129 ILE CA C 13 56.640 0.000 . 1 . . . . 129 I CA . 16729 1 377 . 1 1 129 129 ILE CB C 13 29.557 0.000 . 1 . . . . 129 I CB . 16729 1 378 . 1 1 129 129 ILE N N 15 118.238 0.000 . 1 . . . . 129 I N . 16729 1 379 . 1 1 130 130 SER H H 1 7.688 0.000 . 1 . . . . 130 S HN . 16729 1 380 . 1 1 130 130 SER C C 13 176.363 0.000 . 1 . . . . 130 S C . 16729 1 381 . 1 1 130 130 SER CA C 13 62.426 0.000 . 1 . . . . 130 S CA . 16729 1 382 . 1 1 130 130 SER CB C 13 36.189 0.000 . 1 . . . . 130 S CB . 16729 1 383 . 1 1 130 130 SER N N 15 122.728 0.000 . 1 . . . . 130 S N . 16729 1 384 . 1 1 131 131 ASP H H 1 7.570 0.000 . 1 . . . . 131 D HN . 16729 1 385 . 1 1 131 131 ASP C C 13 178.899 0.000 . 1 . . . . 131 D C . 16729 1 386 . 1 1 131 131 ASP CA C 13 59.134 0.000 . 1 . . . . 131 D CA . 16729 1 387 . 1 1 131 131 ASP CB C 13 28.799 0.000 . 1 . . . . 131 D CB . 16729 1 388 . 1 1 131 131 ASP N N 15 120.856 0.000 . 1 . . . . 131 D N . 16729 1 389 . 1 1 132 132 ALA H H 1 7.802 0.000 . 1 . . . . 132 A HN . 16729 1 390 . 1 1 132 132 ALA C C 13 177.938 0.000 . 1 . . . . 132 A C . 16729 1 391 . 1 1 132 132 ALA CA C 13 56.972 0.000 . 1 . . . . 132 A CA . 16729 1 392 . 1 1 132 132 ALA CB C 13 40.586 0.000 . 1 . . . . 132 A CB . 16729 1 393 . 1 1 132 132 ALA N N 15 119.517 0.000 . 1 . . . . 132 A N . 16729 1 394 . 1 1 133 133 GLU H H 1 7.842 0.000 . 1 . . . . 133 E HN . 16729 1 395 . 1 1 133 133 GLU C C 13 178.791 0.000 . 1 . . . . 133 E C . 16729 1 396 . 1 1 133 133 GLU CA C 13 58.846 0.000 . 1 . . . . 133 E CA . 16729 1 397 . 1 1 133 133 GLU CB C 13 30.759 0.000 . 1 . . . . 133 E CB . 16729 1 398 . 1 1 133 133 GLU N N 15 121.061 0.000 . 1 . . . . 133 E N . 16729 1 399 . 1 1 134 134 ILE H H 1 8.300 0.000 . 1 . . . . 134 I HN . 16729 1 400 . 1 1 134 134 ILE C C 13 177.499 0.000 . 1 . . . . 134 I C . 16729 1 401 . 1 1 134 134 ILE CA C 13 65.835 0.000 . 1 . . . . 134 I CA . 16729 1 402 . 1 1 134 134 ILE CB C 13 30.620 0.000 . 1 . . . . 134 I CB . 16729 1 403 . 1 1 134 134 ILE N N 15 119.733 0.000 . 1 . . . . 134 I N . 16729 1 404 . 1 1 135 135 TRP H H 1 8.280 0.000 . 1 . . . . 135 W HN . 16729 1 405 . 1 1 135 135 TRP C C 13 177.991 0.000 . 1 . . . . 135 W C . 16729 1 406 . 1 1 135 135 TRP CA C 13 61.076 0.000 . 1 . . . . 135 W CA . 16729 1 407 . 1 1 135 135 TRP CB C 13 63.086 0.000 . 1 . . . . 135 W CB . 16729 1 408 . 1 1 135 135 TRP N N 15 113.913 0.000 . 1 . . . . 135 W N . 16729 1 409 . 1 1 136 136 ASP H H 1 8.585 0.000 . 1 . . . . 136 D HN . 16729 1 410 . 1 1 136 136 ASP C C 13 179.303 0.000 . 1 . . . . 136 D C . 16729 1 411 . 1 1 136 136 ASP CA C 13 58.990 0.000 . 1 . . . . 136 D CA . 16729 1 412 . 1 1 136 136 ASP CB C 13 27.593 0.000 . 1 . . . . 136 D CB . 16729 1 413 . 1 1 136 136 ASP N N 15 120.610 0.000 . 1 . . . . 136 D N . 16729 1 414 . 1 1 137 137 MET H H 1 8.208 0.000 . 1 . . . . 137 M HN . 16729 1 415 . 1 1 137 137 MET C C 13 177.754 0.000 . 1 . . . . 137 M C . 16729 1 416 . 1 1 137 137 MET CA C 13 56.619 0.000 . 1 . . . . 137 M CA . 16729 1 417 . 1 1 137 137 MET CB C 13 38.320 0.000 . 1 . . . . 137 M CB . 16729 1 418 . 1 1 137 137 MET N N 15 119.355 0.000 . 1 . . . . 137 M N . 16729 1 419 . 1 1 138 138 VAL H H 1 9.069 0.000 . 1 . . . . 138 V HN . 16729 1 420 . 1 1 138 138 VAL C C 13 180.094 0.000 . 1 . . . . 138 V C . 16729 1 421 . 1 1 138 138 VAL CA C 13 64.376 0.000 . 1 . . . . 138 V CA . 16729 1 422 . 1 1 138 138 VAL CB C 13 36.689 0.000 . 1 . . . . 138 V CB . 16729 1 423 . 1 1 138 138 VAL N N 15 120.500 0.000 . 1 . . . . 138 V N . 16729 1 424 . 1 1 139 139 SER C C 13 175.609 0.000 . 1 . . . . 139 S C . 16729 1 425 . 1 1 139 139 SER CA C 13 62.034 0.000 . 1 . . . . 139 S CA . 16729 1 426 . 1 1 140 140 GLN H H 1 7.790 0.000 . 1 . . . . 140 Q HN . 16729 1 427 . 1 1 140 140 GLN C C 13 180.676 0.000 . 1 . . . . 140 Q C . 16729 1 428 . 1 1 140 140 GLN CA C 13 55.162 0.000 . 1 . . . . 140 Q CA . 16729 1 429 . 1 1 140 140 GLN CB C 13 17.749 0.000 . 1 . . . . 140 Q CB . 16729 1 430 . 1 1 140 140 GLN N N 15 124.488 0.000 . 1 . . . . 140 Q N . 16729 1 431 . 1 1 141 141 ASN H H 1 8.054 0.000 . 1 . . . . 141 N HN . 16729 1 432 . 1 1 141 141 ASN C C 13 179.174 0.000 . 1 . . . . 141 N C . 16729 1 433 . 1 1 141 141 ASN CA C 13 64.259 0.000 . 1 . . . . 141 N CA . 16729 1 434 . 1 1 141 141 ASN CB C 13 37.437 0.000 . 1 . . . . 141 N CB . 16729 1 435 . 1 1 141 141 ASN N N 15 117.408 0.000 . 1 . . . . 141 N N . 16729 1 436 . 1 1 142 142 ILE H H 1 8.526 0.000 . 1 . . . . 142 I HN . 16729 1 437 . 1 1 142 142 ILE C C 13 174.177 0.000 . 1 . . . . 142 I C . 16729 1 438 . 1 1 142 142 ILE CA C 13 47.848 0.000 . 1 . . . . 142 I CA . 16729 1 439 . 1 1 142 142 ILE N N 15 108.456 0.000 . 1 . . . . 142 I N . 16729 1 440 . 1 1 143 143 SER H H 1 8.757 0.000 . 1 . . . . 143 S HN . 16729 1 441 . 1 1 143 143 SER C C 13 178.467 0.000 . 1 . . . . 143 S C . 16729 1 442 . 1 1 143 143 SER CA C 13 56.782 0.000 . 1 . . . . 143 S CA . 16729 1 443 . 1 1 143 143 SER CB C 13 40.658 0.000 . 1 . . . . 143 S CB . 16729 1 444 . 1 1 143 143 SER N N 15 120.408 0.000 . 1 . . . . 143 S N . 16729 1 445 . 1 1 144 144 ALA H H 1 8.388 0.000 . 1 . . . . 144 A HN . 16729 1 446 . 1 1 144 144 ALA C C 13 173.470 0.000 . 1 . . . . 144 A C . 16729 1 447 . 1 1 144 144 ALA CA C 13 59.549 0.000 . 1 . . . . 144 A CA . 16729 1 448 . 1 1 144 144 ALA CB C 13 63.971 0.000 . 1 . . . . 144 A CB . 16729 1 449 . 1 1 144 144 ALA N N 15 111.954 0.000 . 1 . . . . 144 A N . 16729 1 450 . 1 1 145 145 ILE H H 1 7.426 0.000 . 1 . . . . 145 I HN . 16729 1 451 . 1 1 145 145 ILE C C 13 175.217 0.000 . 1 . . . . 145 I C . 16729 1 452 . 1 1 145 145 ILE CA C 13 60.072 0.000 . 1 . . . . 145 I CA . 16729 1 453 . 1 1 145 145 ILE CB C 13 40.685 0.000 . 1 . . . . 145 I CB . 16729 1 454 . 1 1 145 145 ILE N N 15 119.300 0.000 . 1 . . . . 145 I N . 16729 1 455 . 1 1 146 146 GLY H H 1 8.851 0.000 . 1 . . . . 146 G HN . 16729 1 456 . 1 1 146 146 GLY C C 13 178.293 0.000 . 1 . . . . 146 G C . 16729 1 457 . 1 1 146 146 GLY CA C 13 58.606 0.000 . 1 . . . . 146 G CA . 16729 1 458 . 1 1 146 146 GLY N N 15 123.468 0.000 . 1 . . . . 146 G N . 16729 1 459 . 1 1 147 147 ASP H H 1 8.546 0.000 . 1 . . . . 147 D HN . 16729 1 460 . 1 1 147 147 ASP C C 13 177.005 0.000 . 1 . . . . 147 D C . 16729 1 461 . 1 1 147 147 ASP CA C 13 46.110 0.000 . 1 . . . . 147 D CA . 16729 1 462 . 1 1 147 147 ASP N N 15 103.811 0.000 . 1 . . . . 147 D N . 16729 1 463 . 1 1 148 148 SER H H 1 6.419 0.000 . 1 . . . . 148 S HN . 16729 1 464 . 1 1 148 148 SER C C 13 177.827 0.000 . 1 . . . . 148 S C . 16729 1 465 . 1 1 148 148 SER CA C 13 65.978 0.000 . 1 . . . . 148 S CA . 16729 1 466 . 1 1 148 148 SER CB C 13 30.957 0.000 . 1 . . . . 148 S CB . 16729 1 467 . 1 1 148 148 SER N N 15 120.409 0.000 . 1 . . . . 148 S N . 16729 1 468 . 1 1 149 149 TYR H H 1 7.534 0.000 . 1 . . . . 149 Y HN . 16729 1 469 . 1 1 149 149 TYR C C 13 178.464 0.000 . 1 . . . . 149 Y C . 16729 1 470 . 1 1 149 149 TYR CA C 13 64.834 0.000 . 1 . . . . 149 Y CA . 16729 1 471 . 1 1 149 149 TYR CB C 13 38.342 0.000 . 1 . . . . 149 Y CB . 16729 1 472 . 1 1 149 149 TYR N N 15 118.218 0.000 . 1 . . . . 149 Y N . 16729 1 473 . 1 1 150 150 LEU H H 1 8.516 0.000 . 1 . . . . 150 L HN . 16729 1 474 . 1 1 150 150 LEU C C 13 178.361 0.000 . 1 . . . . 150 L C . 16729 1 475 . 1 1 150 150 LEU CA C 13 58.828 0.000 . 1 . . . . 150 L CA . 16729 1 476 . 1 1 150 150 LEU CB C 13 27.212 0.000 . 1 . . . . 150 L CB . 16729 1 477 . 1 1 150 150 LEU N N 15 117.849 0.000 . 1 . . . . 150 L N . 16729 1 478 . 1 1 151 151 GLY H H 1 7.156 0.000 . 1 . . . . 151 G HN . 16729 1 479 . 1 1 151 151 GLY C C 13 175.872 0.000 . 1 . . . . 151 G C . 16729 1 480 . 1 1 151 151 GLY CA C 13 57.403 0.000 . 1 . . . . 151 G CA . 16729 1 481 . 1 1 151 151 GLY N N 15 118.250 0.000 . 1 . . . . 151 G N . 16729 1 482 . 1 1 152 152 VAL H H 1 8.605 0.000 . 1 . . . . 152 V HN . 16729 1 483 . 1 1 152 152 VAL C C 13 177.606 0.000 . 1 . . . . 152 V C . 16729 1 484 . 1 1 152 152 VAL CA C 13 65.612 0.000 . 1 . . . . 152 V CA . 16729 1 485 . 1 1 152 152 VAL N N 15 117.473 0.000 . 1 . . . . 152 V N . 16729 1 486 . 1 1 153 153 TYR H H 1 8.200 0.000 . 1 . . . . 153 Y HN . 16729 1 487 . 1 1 153 153 TYR C C 13 179.262 0.000 . 1 . . . . 153 Y C . 16729 1 488 . 1 1 153 153 TYR CA C 13 67.023 0.000 . 1 . . . . 153 Y CA . 16729 1 489 . 1 1 153 153 TYR CB C 13 30.298 0.000 . 1 . . . . 153 Y CB . 16729 1 490 . 1 1 153 153 TYR N N 15 117.750 0.000 . 1 . . . . 153 Y N . 16729 1 491 . 1 1 154 154 GLU H H 1 8.113 0.000 . 1 . . . . 154 E HN . 16729 1 492 . 1 1 154 154 GLU C C 13 180.194 0.000 . 1 . . . . 154 E C . 16729 1 493 . 1 1 154 154 GLU CA C 13 56.828 0.000 . 1 . . . . 154 E CA . 16729 1 494 . 1 1 154 154 GLU CB C 13 16.628 0.000 . 1 . . . . 154 E CB . 16729 1 495 . 1 1 154 154 GLU N N 15 128.801 0.000 . 1 . . . . 154 E N . 16729 1 496 . 1 1 155 155 ASN H H 1 8.484 0.000 . 1 . . . . 155 N HN . 16729 1 497 . 1 1 155 155 ASN C C 13 179.006 0.000 . 1 . . . . 155 N C . 16729 1 498 . 1 1 155 155 ASN CA C 13 65.818 0.000 . 1 . . . . 155 N CA . 16729 1 499 . 1 1 155 155 ASN CB C 13 31.225 0.000 . 1 . . . . 155 N CB . 16729 1 500 . 1 1 155 155 ASN N N 15 118.870 0.000 . 1 . . . . 155 N N . 16729 1 501 . 1 1 156 156 VAL H H 1 8.750 0.000 . 1 . . . . 156 V HN . 16729 1 502 . 1 1 156 156 VAL C C 13 179.015 0.000 . 1 . . . . 156 V C . 16729 1 503 . 1 1 156 156 VAL CA C 13 62.818 0.000 . 1 . . . . 156 V CA . 16729 1 504 . 1 1 156 156 VAL CB C 13 36.523 0.000 . 1 . . . . 156 V CB . 16729 1 505 . 1 1 156 156 VAL N N 15 120.443 0.000 . 1 . . . . 156 V N . 16729 1 506 . 1 1 157 157 VAL H H 1 8.717 0.000 . 1 . . . . 157 V HN . 16729 1 507 . 1 1 157 157 VAL C C 13 176.589 0.000 . 1 . . . . 157 V C . 16729 1 508 . 1 1 157 157 VAL CA C 13 67.935 0.000 . 1 . . . . 157 V CA . 16729 1 509 . 1 1 157 157 VAL N N 15 116.646 0.000 . 1 . . . . 157 V N . 16729 1 510 . 1 1 158 158 ALA H H 1 7.510 0.000 . 1 . . . . 158 A HN . 16729 1 511 . 1 1 158 158 ALA C C 13 178.800 0.000 . 1 . . . . 158 A C . 16729 1 512 . 1 1 158 158 ALA CA C 13 57.394 0.000 . 1 . . . . 158 A CA . 16729 1 513 . 1 1 158 158 ALA CB C 13 40.030 0.000 . 1 . . . . 158 A CB . 16729 1 514 . 1 1 158 158 ALA N N 15 123.292 0.000 . 1 . . . . 158 A N . 16729 1 515 . 1 1 159 159 VAL H H 1 7.974 0.000 . 1 . . . . 159 V HN . 16729 1 516 . 1 1 159 159 VAL C C 13 175.858 0.000 . 1 . . . . 159 V C . 16729 1 517 . 1 1 159 159 VAL CA C 13 59.056 0.000 . 1 . . . . 159 V CA . 16729 1 518 . 1 1 159 159 VAL CB C 13 38.581 0.000 . 1 . . . . 159 V CB . 16729 1 519 . 1 1 159 159 VAL N N 15 122.804 0.000 . 1 . . . . 159 V N . 16729 1 520 . 1 1 160 160 TYR H H 1 8.805 0.000 . 1 . . . . 160 Y HN . 16729 1 521 . 1 1 160 160 TYR C C 13 178.522 0.000 . 1 . . . . 160 Y C . 16729 1 522 . 1 1 160 160 TYR CA C 13 61.947 0.000 . 1 . . . . 160 Y CA . 16729 1 523 . 1 1 160 160 TYR CB C 13 38.339 0.000 . 1 . . . . 160 Y CB . 16729 1 524 . 1 1 160 160 TYR N N 15 119.550 0.000 . 1 . . . . 160 Y N . 16729 1 525 . 1 1 161 161 THR H H 1 8.630 0.000 . 1 . . . . 161 T HN . 16729 1 526 . 1 1 161 161 THR C C 13 177.771 0.000 . 1 . . . . 161 T C . 16729 1 527 . 1 1 161 161 THR CA C 13 58.229 0.000 . 1 . . . . 161 T CA . 16729 1 528 . 1 1 161 161 THR CB C 13 27.355 0.000 . 1 . . . . 161 T CB . 16729 1 529 . 1 1 161 161 THR N N 15 120.749 0.000 . 1 . . . . 161 T N . 16729 1 530 . 1 1 162 162 ASP H H 1 7.822 0.000 . 1 . . . . 162 D HN . 16729 1 531 . 1 1 162 162 ASP C C 13 181.208 0.000 . 1 . . . . 162 D C . 16729 1 532 . 1 1 162 162 ASP CA C 13 54.610 0.000 . 1 . . . . 162 D CA . 16729 1 533 . 1 1 162 162 ASP CB C 13 17.692 0.000 . 1 . . . . 162 D CB . 16729 1 534 . 1 1 162 162 ASP N N 15 123.068 0.000 . 1 . . . . 162 D N . 16729 1 535 . 1 1 163 163 PHE H H 1 7.663 0.000 . 1 . . . . 163 F HN . 16729 1 536 . 1 1 163 163 PHE C C 13 176.679 0.000 . 1 . . . . 163 F C . 16729 1 537 . 1 1 163 163 PHE CA C 13 60.327 0.000 . 1 . . . . 163 F CA . 16729 1 538 . 1 1 163 163 PHE CB C 13 37.329 0.000 . 1 . . . . 163 F CB . 16729 1 539 . 1 1 163 163 PHE N N 15 119.935 0.000 . 1 . . . . 163 F N . 16729 1 540 . 1 1 164 164 TYR H H 1 8.698 0.000 . 1 . . . . 164 Y HN . 16729 1 541 . 1 1 164 164 TYR C C 13 176.702 0.000 . 1 . . . . 164 Y C . 16729 1 542 . 1 1 164 164 TYR CA C 13 61.465 0.000 . 1 . . . . 164 Y CA . 16729 1 543 . 1 1 164 164 TYR CB C 13 62.257 0.000 . 1 . . . . 164 Y CB . 16729 1 544 . 1 1 164 164 TYR N N 15 117.638 0.000 . 1 . . . . 164 Y N . 16729 1 545 . 1 1 165 165 GLN H H 1 8.025 0.000 . 1 . . . . 165 Q HN . 16729 1 546 . 1 1 165 165 GLN C C 13 179.088 0.000 . 1 . . . . 165 Q C . 16729 1 547 . 1 1 165 165 GLN CA C 13 56.885 0.000 . 1 . . . . 165 Q CA . 16729 1 548 . 1 1 165 165 GLN CB C 13 39.645 0.000 . 1 . . . . 165 Q CB . 16729 1 549 . 1 1 165 165 GLN N N 15 122.359 0.000 . 1 . . . . 165 Q N . 16729 1 550 . 1 1 166 166 ALA H H 1 7.250 0.000 . 1 . . . . 166 A HN . 16729 1 551 . 1 1 166 166 ALA C C 13 178.095 0.000 . 1 . . . . 166 A C . 16729 1 552 . 1 1 166 166 ALA CA C 13 64.997 0.000 . 1 . . . . 166 A CA . 16729 1 553 . 1 1 166 166 ALA CB C 13 36.446 0.000 . 1 . . . . 166 A CB . 16729 1 554 . 1 1 166 166 ALA N N 15 121.668 0.000 . 1 . . . . 166 A N . 16729 1 555 . 1 1 167 167 PHE H H 1 7.293 0.000 . 1 . . . . 167 F HN . 16729 1 556 . 1 1 167 167 PHE C C 13 180.785 0.000 . 1 . . . . 167 F C . 16729 1 557 . 1 1 167 167 PHE CA C 13 57.283 0.000 . 1 . . . . 167 F CA . 16729 1 558 . 1 1 167 167 PHE CB C 13 39.591 0.000 . 1 . . . . 167 F CB . 16729 1 559 . 1 1 167 167 PHE N N 15 118.289 0.000 . 1 . . . . 167 F N . 16729 1 560 . 1 1 168 168 SER H H 1 7.811 0.000 . 1 . . . . 168 S HN . 16729 1 561 . 1 1 168 168 SER C C 13 175.251 0.000 . 1 . . . . 168 S C . 16729 1 562 . 1 1 168 168 SER CA C 13 60.679 0.000 . 1 . . . . 168 S CA . 16729 1 563 . 1 1 168 168 SER CB C 13 62.702 0.000 . 1 . . . . 168 S CB . 16729 1 564 . 1 1 168 168 SER N N 15 114.499 0.000 . 1 . . . . 168 S N . 16729 1 565 . 1 1 169 169 ASP H H 1 7.346 0.000 . 1 . . . . 169 D HN . 16729 1 566 . 1 1 169 169 ASP C C 13 177.630 0.000 . 1 . . . . 169 D C . 16729 1 567 . 1 1 169 169 ASP CA C 13 56.466 0.000 . 1 . . . . 169 D CA . 16729 1 568 . 1 1 169 169 ASP CB C 13 30.754 0.000 . 1 . . . . 169 D CB . 16729 1 569 . 1 1 169 169 ASP N N 15 121.672 0.000 . 1 . . . . 169 D N . 16729 1 570 . 1 1 170 170 ILE H H 1 7.251 0.000 . 1 . . . . 170 I HN . 16729 1 571 . 1 1 170 170 ILE C C 13 178.216 0.000 . 1 . . . . 170 I C . 16729 1 572 . 1 1 170 170 ILE CA C 13 57.739 0.000 . 1 . . . . 170 I CA . 16729 1 573 . 1 1 170 170 ILE CB C 13 30.965 0.000 . 1 . . . . 170 I CB . 16729 1 574 . 1 1 170 170 ILE N N 15 117.995 0.000 . 1 . . . . 170 I N . 16729 1 575 . 1 1 171 171 LEU H H 1 8.175 0.000 . 1 . . . . 171 L HN . 16729 1 576 . 1 1 171 171 LEU C C 13 176.072 0.000 . 1 . . . . 171 L C . 16729 1 577 . 1 1 171 171 LEU CA C 13 46.451 0.000 . 1 . . . . 171 L CA . 16729 1 578 . 1 1 171 171 LEU N N 15 106.778 0.000 . 1 . . . . 171 L N . 16729 1 579 . 1 1 172 172 SER H H 1 7.342 0.000 . 1 . . . . 172 S HN . 16729 1 580 . 1 1 172 172 SER C C 13 175.024 0.000 . 1 . . . . 172 S C . 16729 1 581 . 1 1 172 172 SER CA C 13 44.728 0.000 . 1 . . . . 172 S CA . 16729 1 582 . 1 1 172 172 SER N N 15 105.608 0.000 . 1 . . . . 172 S N . 16729 1 583 . 1 1 173 173 LYS H H 1 7.526 0.000 . 1 . . . . 173 K HN . 16729 1 584 . 1 1 173 173 LYS C C 13 173.986 0.000 . 1 . . . . 173 K C . 16729 1 585 . 1 1 173 173 LYS CA C 13 54.548 0.000 . 1 . . . . 173 K CA . 16729 1 586 . 1 1 173 173 LYS CB C 13 30.053 0.000 . 1 . . . . 173 K CB . 16729 1 587 . 1 1 173 173 LYS N N 15 120.013 0.000 . 1 . . . . 173 K N . 16729 1 588 . 1 1 174 174 MET H H 1 7.296 0.000 . 1 . . . . 174 M HN . 16729 1 589 . 1 1 174 174 MET C C 13 174.873 0.000 . 1 . . . . 174 M C . 16729 1 590 . 1 1 174 174 MET CA C 13 53.439 0.000 . 1 . . . . 174 M CA . 16729 1 591 . 1 1 174 174 MET CB C 13 43.110 0.000 . 1 . . . . 174 M CB . 16729 1 592 . 1 1 174 174 MET N N 15 123.546 0.000 . 1 . . . . 174 M N . 16729 1 593 . 1 1 175 175 GLY H H 1 8.889 0.000 . 1 . . . . 175 G HN . 16729 1 594 . 1 1 175 175 GLY C C 13 174.299 0.000 . 1 . . . . 175 G C . 16729 1 595 . 1 1 175 175 GLY CA C 13 51.406 0.000 . 1 . . . . 175 G CA . 16729 1 596 . 1 1 175 175 GLY N N 15 127.172 0.000 . 1 . . . . 175 G N . 16729 1 597 . 1 1 176 176 GLY C C 13 177.415 0.000 . 1 . . . . 176 G C . 16729 1 598 . 1 1 177 177 TRP H H 1 8.129 0.000 . 1 . . . . 177 W HN . 16729 1 599 . 1 1 177 177 TRP C C 13 175.097 0.000 . 1 . . . . 177 W C . 16729 1 600 . 1 1 177 177 TRP CA C 13 43.508 0.000 . 1 . . . . 177 W CA . 16729 1 601 . 1 1 177 177 TRP N N 15 110.162 0.000 . 1 . . . . 177 W N . 16729 1 602 . 1 1 178 178 LEU H H 1 8.587 0.000 . 1 . . . . 178 L HN . 16729 1 603 . 1 1 178 178 LEU C C 13 176.753 0.000 . 1 . . . . 178 L C . 16729 1 604 . 1 1 178 178 LEU CA C 13 57.831 0.000 . 1 . . . . 178 L CA . 16729 1 605 . 1 1 178 178 LEU CB C 13 31.555 0.000 . 1 . . . . 178 L CB . 16729 1 606 . 1 1 178 178 LEU N N 15 122.316 0.000 . 1 . . . . 178 L N . 16729 1 607 . 1 1 179 179 LEU H H 1 7.983 0.000 . 1 . . . . 179 L HN . 16729 1 608 . 1 1 179 179 LEU C C 13 176.504 0.000 . 1 . . . . 179 L C . 16729 1 609 . 1 1 179 179 LEU CA C 13 53.287 0.000 . 1 . . . . 179 L CA . 16729 1 610 . 1 1 179 179 LEU CB C 13 40.955 0.000 . 1 . . . . 179 L CB . 16729 1 611 . 1 1 179 179 LEU N N 15 117.174 0.000 . 1 . . . . 179 L N . 16729 1 612 . 1 1 180 180 PRO C C 13 174.438 0.000 . 1 . . . . 180 P C . 16729 1 613 . 1 1 180 180 PRO CA C 13 45.676 0.000 . 1 . . . . 180 P CA . 16729 1 614 . 1 1 180 180 PRO N N 15 106.043 0.000 . 1 . . . . 180 P N . 16729 1 615 . 1 1 181 181 GLY H H 1 8.321 0.000 . 1 . . . . 181 G HN . 16729 1 616 . 1 1 181 181 GLY C C 13 174.995 0.000 . 1 . . . . 181 G C . 16729 1 617 . 1 1 181 181 GLY CA C 13 53.395 0.000 . 1 . . . . 181 G CA . 16729 1 618 . 1 1 181 181 GLY N N 15 117.229 0.000 . 1 . . . . 181 G N . 16729 1 619 . 1 1 182 182 LYS H H 1 7.506 0.000 . 1 . . . . 182 K HN . 16729 1 620 . 1 1 182 182 LYS C C 13 173.851 0.000 . 1 . . . . 182 K C . 16729 1 621 . 1 1 182 182 LYS CA C 13 59.592 0.000 . 1 . . . . 182 K CA . 16729 1 622 . 1 1 182 182 LYS CB C 13 72.407 0.000 . 1 . . . . 182 K CB . 16729 1 623 . 1 1 182 182 LYS N N 15 110.807 0.000 . 1 . . . . 182 K N . 16729 1 624 . 1 1 183 183 ASP H H 1 8.888 0.000 . 1 . . . . 183 D HN . 16729 1 625 . 1 1 183 183 ASP C C 13 173.741 0.000 . 1 . . . . 183 D C . 16729 1 626 . 1 1 183 183 ASP CA C 13 59.628 0.000 . 1 . . . . 183 D CA . 16729 1 627 . 1 1 183 183 ASP CB C 13 34.601 0.000 . 1 . . . . 183 D CB . 16729 1 628 . 1 1 183 183 ASP N N 15 116.408 0.000 . 1 . . . . 183 D N . 16729 1 629 . 1 1 184 184 GLY H H 1 8.557 0.000 . 1 . . . . 184 G HN . 16729 1 630 . 1 1 184 184 GLY C C 13 174.374 0.000 . 1 . . . . 184 G C . 16729 1 631 . 1 1 184 184 GLY CA C 13 54.539 0.000 . 1 . . . . 184 G CA . 16729 1 632 . 1 1 184 184 GLY N N 15 121.578 0.000 . 1 . . . . 184 G N . 16729 1 633 . 1 1 185 185 ASN H H 1 8.754 0.000 . 1 . . . . 185 N HN . 16729 1 634 . 1 1 185 185 ASN C C 13 177.237 0.000 . 1 . . . . 185 N C . 16729 1 635 . 1 1 185 185 ASN CA C 13 51.992 0.000 . 1 . . . . 185 N CA . 16729 1 636 . 1 1 185 185 ASN CB C 13 45.367 0.000 . 1 . . . . 185 N CB . 16729 1 637 . 1 1 185 185 ASN N N 15 125.502 0.000 . 1 . . . . 185 N N . 16729 1 638 . 1 1 186 186 THR H H 1 9.420 0.000 . 1 . . . . 186 T HN . 16729 1 639 . 1 1 186 186 THR C C 13 174.592 0.000 . 1 . . . . 186 T C . 16729 1 640 . 1 1 186 186 THR CA C 13 51.867 0.000 . 1 . . . . 186 T CA . 16729 1 641 . 1 1 186 186 THR CB C 13 36.508 0.000 . 1 . . . . 186 T CB . 16729 1 642 . 1 1 186 186 THR N N 15 128.615 0.000 . 1 . . . . 186 T N . 16729 1 643 . 1 1 187 187 VAL H H 1 7.623 0.000 . 1 . . . . 187 V HN . 16729 1 644 . 1 1 187 187 VAL C C 13 176.451 0.000 . 1 . . . . 187 V C . 16729 1 645 . 1 1 187 187 VAL CA C 13 63.565 0.000 . 1 . . . . 187 V CA . 16729 1 646 . 1 1 187 187 VAL CB C 13 30.638 0.000 . 1 . . . . 187 V CB . 16729 1 647 . 1 1 187 187 VAL N N 15 118.316 0.000 . 1 . . . . 187 V N . 16729 1 648 . 1 1 188 188 LYS H H 1 7.639 0.000 . 1 . . . . 188 K HN . 16729 1 649 . 1 1 188 188 LYS CA C 13 66.067 0.000 . 1 . . . . 188 K CA . 16729 1 650 . 1 1 188 188 LYS CB C 13 67.403 0.000 . 1 . . . . 188 K CB . 16729 1 651 . 1 1 188 188 LYS N N 15 119.059 0.000 . 1 . . . . 188 K N . 16729 1 652 . 1 1 189 189 LEU H H 1 7.633 0.000 . 1 . . . . 189 L HN . 16729 1 653 . 1 1 189 189 LEU C C 13 175.525 0.000 . 1 . . . . 189 L C . 16729 1 654 . 1 1 189 189 LEU CA C 13 61.652 0.000 . 1 . . . . 189 L CA . 16729 1 655 . 1 1 189 189 LEU N N 15 119.041 0.000 . 1 . . . . 189 L N . 16729 1 656 . 1 1 190 190 ASP H H 1 6.487 0.000 . 1 . . . . 190 D HN . 16729 1 657 . 1 1 190 190 ASP C C 13 177.385 0.000 . 1 . . . . 190 D C . 16729 1 658 . 1 1 190 190 ASP CA C 13 57.290 0.000 . 1 . . . . 190 D CA . 16729 1 659 . 1 1 190 190 ASP CB C 13 40.538 0.000 . 1 . . . . 190 D CB . 16729 1 660 . 1 1 190 190 ASP N N 15 121.426 0.000 . 1 . . . . 190 D N . 16729 1 661 . 1 1 191 191 VAL H H 1 8.175 0.000 . 1 . . . . 191 V HN . 16729 1 662 . 1 1 191 191 VAL C C 13 178.089 0.000 . 1 . . . . 191 V C . 16729 1 663 . 1 1 191 191 VAL CA C 13 60.151 0.000 . 1 . . . . 191 V CA . 16729 1 664 . 1 1 191 191 VAL CB C 13 31.425 0.000 . 1 . . . . 191 V CB . 16729 1 665 . 1 1 191 191 VAL N N 15 117.821 0.000 . 1 . . . . 191 V N . 16729 1 666 . 1 1 192 192 THR H H 1 8.158 0.000 . 1 . . . . 192 T HN . 16729 1 667 . 1 1 192 192 THR C C 13 178.778 0.000 . 1 . . . . 192 T C . 16729 1 668 . 1 1 192 192 THR CA C 13 55.751 0.000 . 1 . . . . 192 T CA . 16729 1 669 . 1 1 192 192 THR CB C 13 36.802 0.000 . 1 . . . . 192 T CB . 16729 1 670 . 1 1 192 192 THR N N 15 116.982 0.000 . 1 . . . . 192 T N . 16729 1 671 . 1 1 193 193 SER H H 1 7.886 0.000 . 1 . . . . 193 S HN . 16729 1 672 . 1 1 193 193 SER C C 13 180.249 0.000 . 1 . . . . 193 S C . 16729 1 673 . 1 1 193 193 SER CA C 13 57.483 0.000 . 1 . . . . 193 S CA . 16729 1 674 . 1 1 193 193 SER CB C 13 39.761 0.000 . 1 . . . . 193 S CB . 16729 1 675 . 1 1 193 193 SER N N 15 123.048 0.000 . 1 . . . . 193 S N . 16729 1 676 . 1 1 194 194 LEU H H 1 8.353 0.000 . 1 . . . . 194 L HN . 16729 1 677 . 1 1 194 194 LEU C C 13 178.823 0.000 . 1 . . . . 194 L C . 16729 1 678 . 1 1 194 194 LEU CA C 13 58.204 0.000 . 1 . . . . 194 L CA . 16729 1 679 . 1 1 194 194 LEU CB C 13 41.330 0.000 . 1 . . . . 194 L CB . 16729 1 680 . 1 1 194 194 LEU N N 15 121.533 0.000 . 1 . . . . 194 L N . 16729 1 681 . 1 1 195 195 LYS H H 1 9.076 0.000 . 1 . . . . 195 K HN . 16729 1 682 . 1 1 195 195 LYS C C 13 178.830 0.000 . 1 . . . . 195 K C . 16729 1 683 . 1 1 195 195 LYS CA C 13 55.133 0.000 . 1 . . . . 195 K CA . 16729 1 684 . 1 1 195 195 LYS CB C 13 37.191 0.000 . 1 . . . . 195 K CB . 16729 1 685 . 1 1 195 195 LYS N N 15 117.586 0.000 . 1 . . . . 195 K N . 16729 1 686 . 1 1 196 196 ASN H H 1 8.222 0.000 . 1 . . . . 196 N HN . 16729 1 687 . 1 1 196 196 ASN C C 13 176.781 0.000 . 1 . . . . 196 N C . 16729 1 688 . 1 1 196 196 ASN CA C 13 61.649 0.000 . 1 . . . . 196 N CA . 16729 1 689 . 1 1 196 196 ASN CB C 13 62.423 0.000 . 1 . . . . 196 N CB . 16729 1 690 . 1 1 196 196 ASN N N 15 117.240 0.000 . 1 . . . . 196 N N . 16729 1 691 . 1 1 197 197 ASP H H 1 7.624 0.000 . 1 . . . . 197 D HN . 16729 1 692 . 1 1 197 197 ASP C C 13 176.159 0.000 . 1 . . . . 197 D C . 16729 1 693 . 1 1 197 197 ASP CA C 13 57.820 0.000 . 1 . . . . 197 D CA . 16729 1 694 . 1 1 197 197 ASP CB C 13 40.907 0.000 . 1 . . . . 197 D CB . 16729 1 695 . 1 1 197 197 ASP N N 15 125.356 0.000 . 1 . . . . 197 D N . 16729 1 696 . 1 1 198 198 LEU H H 1 8.348 0.000 . 1 . . . . 198 L HN . 16729 1 697 . 1 1 198 198 LEU C C 13 177.434 0.000 . 1 . . . . 198 L C . 16729 1 698 . 1 1 198 198 LEU CA C 13 66.600 0.000 . 1 . . . . 198 L CA . 16729 1 699 . 1 1 198 198 LEU CB C 13 31.156 0.000 . 1 . . . . 198 L CB . 16729 1 700 . 1 1 198 198 LEU N N 15 119.974 0.000 . 1 . . . . 198 L N . 16729 1 701 . 1 1 199 199 ASN H H 1 8.311 0.000 . 1 . . . . 199 N HN . 16729 1 702 . 1 1 199 199 ASN C C 13 178.362 0.000 . 1 . . . . 199 N C . 16729 1 703 . 1 1 199 199 ASN CA C 13 55.809 0.000 . 1 . . . . 199 N CA . 16729 1 704 . 1 1 199 199 ASN CB C 13 37.580 0.000 . 1 . . . . 199 N CB . 16729 1 705 . 1 1 199 199 ASN N N 15 115.277 0.000 . 1 . . . . 199 N N . 16729 1 706 . 1 1 200 200 SER H H 1 7.931 0.000 . 1 . . . . 200 S HN . 16729 1 707 . 1 1 200 200 SER C C 13 178.624 0.000 . 1 . . . . 200 S C . 16729 1 708 . 1 1 200 200 SER CA C 13 59.301 0.000 . 1 . . . . 200 S CA . 16729 1 709 . 1 1 200 200 SER CB C 13 31.732 0.000 . 1 . . . . 200 S CB . 16729 1 710 . 1 1 200 200 SER N N 15 120.656 0.000 . 1 . . . . 200 S N . 16729 1 711 . 1 1 201 201 LEU H H 1 7.895 0.000 . 1 . . . . 201 L HN . 16729 1 712 . 1 1 201 201 LEU C C 13 174.930 0.000 . 1 . . . . 201 L C . 16729 1 713 . 1 1 201 201 LEU CA C 13 60.460 0.000 . 1 . . . . 201 L CA . 16729 1 714 . 1 1 201 201 LEU CB C 13 37.409 0.000 . 1 . . . . 201 L CB . 16729 1 715 . 1 1 201 201 LEU N N 15 114.474 0.000 . 1 . . . . 201 L N . 16729 1 716 . 1 1 202 202 VAL H H 1 7.911 0.000 . 1 . . . . 202 V HN . 16729 1 717 . 1 1 202 202 VAL C C 13 176.102 0.000 . 1 . . . . 202 V C . 16729 1 718 . 1 1 202 202 VAL CA C 13 52.268 0.000 . 1 . . . . 202 V CA . 16729 1 719 . 1 1 202 202 VAL CB C 13 37.589 0.000 . 1 . . . . 202 V CB . 16729 1 720 . 1 1 202 202 VAL N N 15 119.327 0.000 . 1 . . . . 202 V N . 16729 1 721 . 1 1 203 203 ASN H H 1 6.852 0.000 . 1 . . . . 203 N HN . 16729 1 722 . 1 1 203 203 ASN C C 13 174.958 0.000 . 1 . . . . 203 N C . 16729 1 723 . 1 1 203 203 ASN CA C 13 53.925 0.000 . 1 . . . . 203 N CA . 16729 1 724 . 1 1 203 203 ASN CB C 13 29.240 0.000 . 1 . . . . 203 N CB . 16729 1 725 . 1 1 203 203 ASN N N 15 117.155 0.000 . 1 . . . . 203 N N . 16729 1 726 . 1 1 204 204 LYS H H 1 8.542 0.000 . 1 . . . . 204 K HN . 16729 1 727 . 1 1 204 204 LYS C C 13 173.096 0.000 . 1 . . . . 204 K C . 16729 1 728 . 1 1 204 204 LYS CA C 13 60.684 0.000 . 1 . . . . 204 K CA . 16729 1 729 . 1 1 204 204 LYS CB C 13 35.987 0.000 . 1 . . . . 204 K CB . 16729 1 730 . 1 1 204 204 LYS N N 15 123.455 0.000 . 1 . . . . 204 K N . 16729 1 731 . 1 1 205 205 TYR H H 1 7.722 0.000 . 1 . . . . 205 Y HN . 16729 1 732 . 1 1 205 205 TYR C C 13 175.043 0.000 . 1 . . . . 205 Y C . 16729 1 733 . 1 1 205 205 TYR CA C 13 52.251 0.000 . 1 . . . . 205 Y CA . 16729 1 734 . 1 1 205 205 TYR CB C 13 38.927 0.000 . 1 . . . . 205 Y CB . 16729 1 735 . 1 1 205 205 TYR N N 15 122.550 0.000 . 1 . . . . 205 Y N . 16729 1 736 . 1 1 206 206 ASN H H 1 8.603 0.000 . 1 . . . . 206 N HN . 16729 1 737 . 1 1 206 206 ASN C C 13 174.663 0.000 . 1 . . . . 206 N C . 16729 1 738 . 1 1 206 206 ASN CA C 13 60.885 0.000 . 1 . . . . 206 N CA . 16729 1 739 . 1 1 206 206 ASN CB C 13 62.252 0.000 . 1 . . . . 206 N CB . 16729 1 740 . 1 1 206 206 ASN N N 15 113.638 0.000 . 1 . . . . 206 N N . 16729 1 741 . 1 1 207 207 GLN H H 1 8.612 0.000 . 1 . . . . 207 Q HN . 16729 1 742 . 1 1 207 207 GLN C C 13 175.425 0.000 . 1 . . . . 207 Q C . 16729 1 743 . 1 1 207 207 GLN CA C 13 53.750 0.000 . 1 . . . . 207 Q CA . 16729 1 744 . 1 1 207 207 GLN CB C 13 38.988 0.000 . 1 . . . . 207 Q CB . 16729 1 745 . 1 1 207 207 GLN N N 15 116.092 0.000 . 1 . . . . 207 Q N . 16729 1 746 . 1 1 208 208 ILE H H 1 7.476 0.000 . 1 . . . . 208 I HN . 16729 1 747 . 1 1 208 208 ILE C C 13 173.646 0.000 . 1 . . . . 208 I C . 16729 1 748 . 1 1 208 208 ILE CA C 13 60.697 0.000 . 1 . . . . 208 I CA . 16729 1 749 . 1 1 208 208 ILE CB C 13 69.840 0.000 . 1 . . . . 208 I CB . 16729 1 750 . 1 1 208 208 ILE N N 15 107.084 0.000 . 1 . . . . 208 I N . 16729 1 751 . 1 1 209 209 ASN H H 1 6.901 0.000 . 1 . . . . 209 N HN . 16729 1 752 . 1 1 209 209 ASN C C 13 174.921 0.000 . 1 . . . . 209 N C . 16729 1 753 . 1 1 209 209 ASN CA C 13 62.514 0.000 . 1 . . . . 209 N CA . 16729 1 754 . 1 1 209 209 ASN CB C 13 32.881 0.000 . 1 . . . . 209 N CB . 16729 1 755 . 1 1 209 209 ASN N N 15 120.679 0.000 . 1 . . . . 209 N N . 16729 1 756 . 1 1 210 210 SER H H 1 9.048 0.000 . 1 . . . . 210 S HN . 16729 1 757 . 1 1 210 210 SER C C 13 175.177 0.000 . 1 . . . . 210 S C . 16729 1 758 . 1 1 210 210 SER CA C 13 55.491 0.000 . 1 . . . . 210 S CA . 16729 1 759 . 1 1 210 210 SER CB C 13 41.459 0.000 . 1 . . . . 210 S CB . 16729 1 760 . 1 1 210 210 SER N N 15 125.073 0.000 . 1 . . . . 210 S N . 16729 1 761 . 1 1 211 211 ASN H H 1 7.034 0.000 . 1 . . . . 211 N HN . 16729 1 762 . 1 1 211 211 ASN C C 13 171.750 0.000 . 1 . . . . 211 N C . 16729 1 763 . 1 1 211 211 ASN CA C 13 53.887 0.000 . 1 . . . . 211 N CA . 16729 1 764 . 1 1 211 211 ASN CB C 13 41.475 0.000 . 1 . . . . 211 N CB . 16729 1 765 . 1 1 211 211 ASN N N 15 114.994 0.000 . 1 . . . . 211 N N . 16729 1 766 . 1 1 212 212 THR C C 13 175.000 0.000 . 1 . . . . 212 T C . 16729 1 767 . 1 1 212 212 THR CA C 13 61.799 0.000 . 1 . . . . 212 T CA . 16729 1 768 . 1 1 212 212 THR CB C 13 32.349 0.000 . 1 . . . . 212 T CB . 16729 1 769 . 1 1 213 213 VAL H H 1 8.205 0.000 . 1 . . . . 213 V HN . 16729 1 770 . 1 1 213 213 VAL C C 13 177.610 0.000 . 1 . . . . 213 V C . 16729 1 771 . 1 1 213 213 VAL CA C 13 52.682 0.000 . 1 . . . . 213 V CA . 16729 1 772 . 1 1 213 213 VAL CB C 13 17.347 0.000 . 1 . . . . 213 V CB . 16729 1 773 . 1 1 213 213 VAL N N 15 122.266 0.000 . 1 . . . . 213 V N . 16729 1 774 . 1 1 214 214 LEU H H 1 7.870 0.000 . 1 . . . . 214 L HN . 16729 1 775 . 1 1 214 214 LEU C C 13 175.478 0.000 . 1 . . . . 214 L C . 16729 1 776 . 1 1 214 214 LEU CA C 13 53.336 0.000 . 1 . . . . 214 L CA . 16729 1 777 . 1 1 214 214 LEU CB C 13 28.809 0.000 . 1 . . . . 214 L CB . 16729 1 778 . 1 1 214 214 LEU N N 15 120.304 0.000 . 1 . . . . 214 L N . 16729 1 779 . 1 1 215 215 PHE H H 1 8.162 0.000 . 1 . . . . 215 F HN . 16729 1 780 . 1 1 215 215 PHE C C 13 174.534 0.000 . 1 . . . . 215 F C . 16729 1 781 . 1 1 215 215 PHE CA C 13 57.524 0.000 . 1 . . . . 215 F CA . 16729 1 782 . 1 1 215 215 PHE CB C 13 63.945 0.000 . 1 . . . . 215 F CB . 16729 1 783 . 1 1 215 215 PHE N N 15 115.288 0.000 . 1 . . . . 215 F N . 16729 1 784 . 1 1 216 216 PRO C C 13 174.113 0.000 . 1 . . . . 216 P C . 16729 1 785 . 1 1 216 216 PRO CA C 13 44.854 0.000 . 1 . . . . 216 P CA . 16729 1 786 . 1 1 216 216 PRO N N 15 111.517 0.000 . 1 . . . . 216 P N . 16729 1 787 . 1 1 217 217 ALA H H 1 8.141 0.000 . 1 . . . . 217 A HN . 16729 1 788 . 1 1 217 217 ALA C C 13 175.018 0.000 . 1 . . . . 217 A C . 16729 1 789 . 1 1 217 217 ALA CA C 13 58.075 0.000 . 1 . . . . 217 A CA . 16729 1 790 . 1 1 217 217 ALA CB C 13 63.572 0.000 . 1 . . . . 217 A CB . 16729 1 791 . 1 1 217 217 ALA N N 15 115.379 0.000 . 1 . . . . 217 A N . 16729 1 792 . 1 1 218 218 GLN H H 1 8.182 0.000 . 1 . . . . 218 Q HN . 16729 1 793 . 1 1 218 218 GLN C C 13 172.622 0.000 . 1 . . . . 218 Q C . 16729 1 794 . 1 1 218 218 GLN CA C 13 43.936 0.000 . 1 . . . . 218 Q CA . 16729 1 795 . 1 1 218 218 GLN N N 15 112.453 0.000 . 1 . . . . 218 Q N . 16729 1 796 . 1 1 219 219 SER H H 1 7.964 0.000 . 1 . . . . 219 S HN . 16729 1 797 . 1 1 219 219 SER C C 13 175.862 0.000 . 1 . . . . 219 S C . 16729 1 798 . 1 1 219 219 SER CA C 13 61.548 0.000 . 1 . . . . 219 S CA . 16729 1 799 . 1 1 219 219 SER CB C 13 32.460 0.000 . 1 . . . . 219 S CB . 16729 1 800 . 1 1 219 219 SER N N 15 121.446 0.000 . 1 . . . . 219 S N . 16729 1 801 . 1 1 220 220 GLY H H 1 9.247 0.000 . 1 . . . . 220 G HN . 16729 1 802 . 1 1 220 220 GLY C C 13 175.613 0.000 . 1 . . . . 220 G C . 16729 1 803 . 1 1 220 220 GLY CA C 13 54.765 0.000 . 1 . . . . 220 G CA . 16729 1 804 . 1 1 220 220 GLY N N 15 131.670 0.000 . 1 . . . . 220 G N . 16729 1 805 . 1 1 221 221 SER H H 1 7.937 0.000 . 1 . . . . 221 S HN . 16729 1 806 . 1 1 221 221 SER C C 13 174.748 0.000 . 1 . . . . 221 S C . 16729 1 807 . 1 1 221 221 SER CA C 13 58.636 0.000 . 1 . . . . 221 S CA . 16729 1 808 . 1 1 221 221 SER CB C 13 33.570 0.000 . 1 . . . . 221 S CB . 16729 1 809 . 1 1 221 221 SER N N 15 113.849 0.000 . 1 . . . . 221 S N . 16729 1 810 . 1 1 222 222 GLY H H 1 9.106 0.000 . 1 . . . . 222 G HN . 16729 1 811 . 1 1 222 222 GLY C C 13 177.902 0.000 . 1 . . . . 222 G C . 16729 1 812 . 1 1 222 222 GLY CA C 13 49.334 0.000 . 1 . . . . 222 G CA . 16729 1 813 . 1 1 222 222 GLY N N 15 124.755 0.000 . 1 . . . . 222 G N . 16729 1 814 . 1 1 223 223 VAL H H 1 8.318 0.000 . 1 . . . . 223 V HN . 16729 1 815 . 1 1 223 223 VAL C C 13 175.443 0.000 . 1 . . . . 223 V C . 16729 1 816 . 1 1 223 223 VAL CA C 13 61.317 0.000 . 1 . . . . 223 V CA . 16729 1 817 . 1 1 223 223 VAL CB C 13 70.483 0.000 . 1 . . . . 223 V CB . 16729 1 818 . 1 1 223 223 VAL N N 15 109.420 0.000 . 1 . . . . 223 V N . 16729 1 819 . 1 1 224 224 LYS H H 1 9.045 0.000 . 1 . . . . 224 K HN . 16729 1 820 . 1 1 224 224 LYS C C 13 178.209 0.000 . 1 . . . . 224 K C . 16729 1 821 . 1 1 224 224 LYS CA C 13 59.791 0.000 . 1 . . . . 224 K CA . 16729 1 822 . 1 1 224 224 LYS CB C 13 28.264 0.000 . 1 . . . . 224 K CB . 16729 1 823 . 1 1 224 224 LYS N N 15 122.826 0.000 . 1 . . . . 224 K N . 16729 1 824 . 1 1 225 225 VAL H H 1 8.382 0.000 . 1 . . . . 225 V HN . 16729 1 825 . 1 1 225 225 VAL C C 13 181.286 0.000 . 1 . . . . 225 V C . 16729 1 826 . 1 1 225 225 VAL CA C 13 54.760 0.000 . 1 . . . . 225 V CA . 16729 1 827 . 1 1 225 225 VAL CB C 13 17.675 0.000 . 1 . . . . 225 V CB . 16729 1 828 . 1 1 225 225 VAL N N 15 118.400 0.000 . 1 . . . . 225 V N . 16729 1 829 . 1 1 226 226 ALA H H 1 7.552 0.000 . 1 . . . . 226 A HN . 16729 1 830 . 1 1 226 226 ALA C C 13 178.871 0.000 . 1 . . . . 226 A C . 16729 1 831 . 1 1 226 226 ALA CA C 13 58.632 0.000 . 1 . . . . 226 A CA . 16729 1 832 . 1 1 226 226 ALA CB C 13 30.366 0.000 . 1 . . . . 226 A CB . 16729 1 833 . 1 1 226 226 ALA N N 15 118.259 0.000 . 1 . . . . 226 A N . 16729 1 834 . 1 1 227 227 THR H H 1 8.454 0.000 . 1 . . . . 227 T HN . 16729 1 835 . 1 1 227 227 THR C C 13 179.470 0.000 . 1 . . . . 227 T C . 16729 1 836 . 1 1 227 227 THR CA C 13 55.102 0.000 . 1 . . . . 227 T CA . 16729 1 837 . 1 1 227 227 THR CB C 13 17.808 0.000 . 1 . . . . 227 T CB . 16729 1 838 . 1 1 227 227 THR N N 15 120.952 0.000 . 1 . . . . 227 T N . 16729 1 839 . 1 1 228 228 GLU H H 1 8.792 0.000 . 1 . . . . 228 E HN . 16729 1 840 . 1 1 228 228 GLU C C 13 179.474 0.000 . 1 . . . . 228 E C . 16729 1 841 . 1 1 228 228 GLU CA C 13 59.998 0.000 . 1 . . . . 228 E CA . 16729 1 842 . 1 1 228 228 GLU CB C 13 28.292 0.000 . 1 . . . . 228 E CB . 16729 1 843 . 1 1 228 228 GLU N N 15 116.670 0.000 . 1 . . . . 228 E N . 16729 1 844 . 1 1 229 229 ALA H H 1 7.630 0.000 . 1 . . . . 229 A HN . 16729 1 845 . 1 1 229 229 ALA C C 13 179.367 0.000 . 1 . . . . 229 A C . 16729 1 846 . 1 1 229 229 ALA CA C 13 58.567 0.000 . 1 . . . . 229 A CA . 16729 1 847 . 1 1 229 229 ALA CB C 13 27.258 0.000 . 1 . . . . 229 A CB . 16729 1 848 . 1 1 229 229 ALA N N 15 120.985 0.000 . 1 . . . . 229 A N . 16729 1 849 . 1 1 230 230 GLU H H 1 7.440 0.000 . 1 . . . . 230 E HN . 16729 1 850 . 1 1 230 230 GLU C C 13 178.132 0.000 . 1 . . . . 230 E C . 16729 1 851 . 1 1 230 230 GLU CA C 13 61.344 0.000 . 1 . . . . 230 E CA . 16729 1 852 . 1 1 230 230 GLU CB C 13 27.744 0.000 . 1 . . . . 230 E CB . 16729 1 853 . 1 1 230 230 GLU N N 15 120.956 0.000 . 1 . . . . 230 E N . 16729 1 854 . 1 1 231 231 ALA H H 1 8.480 0.000 . 1 . . . . 231 A HN . 16729 1 855 . 1 1 231 231 ALA C C 13 179.073 0.000 . 1 . . . . 231 A C . 16729 1 856 . 1 1 231 231 ALA CA C 13 58.718 0.000 . 1 . . . . 231 A CA . 16729 1 857 . 1 1 231 231 ALA CB C 13 41.482 0.000 . 1 . . . . 231 A CB . 16729 1 858 . 1 1 231 231 ALA N N 15 121.812 0.000 . 1 . . . . 231 A N . 16729 1 859 . 1 1 232 232 ARG H H 1 7.334 0.000 . 1 . . . . 232 R HN . 16729 1 860 . 1 1 232 232 ARG C C 13 177.755 0.000 . 1 . . . . 232 R C . 16729 1 861 . 1 1 232 232 ARG CA C 13 60.551 0.000 . 1 . . . . 232 R CA . 16729 1 862 . 1 1 232 232 ARG CB C 13 62.535 0.000 . 1 . . . . 232 R CB . 16729 1 863 . 1 1 232 232 ARG N N 15 110.722 0.000 . 1 . . . . 232 R N . 16729 1 864 . 1 1 233 233 GLN H H 1 7.880 0.000 . 1 . . . . 233 Q HN . 16729 1 865 . 1 1 233 233 GLN C C 13 176.900 0.000 . 1 . . . . 233 Q C . 16729 1 866 . 1 1 233 233 GLN CA C 13 58.152 0.000 . 1 . . . . 233 Q CA . 16729 1 867 . 1 1 233 233 GLN CB C 13 27.910 0.000 . 1 . . . . 233 Q CB . 16729 1 868 . 1 1 233 233 GLN N N 15 124.430 0.000 . 1 . . . . 233 Q N . 16729 1 869 . 1 1 234 234 TRP H H 1 8.186 0.000 . 1 . . . . 234 W HN . 16729 1 870 . 1 1 234 234 TRP C C 13 175.196 0.000 . 1 . . . . 234 W C . 16729 1 871 . 1 1 234 234 TRP CA C 13 54.426 0.000 . 1 . . . . 234 W CA . 16729 1 872 . 1 1 234 234 TRP CB C 13 40.702 0.000 . 1 . . . . 234 W CB . 16729 1 873 . 1 1 234 234 TRP N N 15 114.464 0.000 . 1 . . . . 234 W N . 16729 1 874 . 1 1 235 235 LEU H H 1 7.792 0.000 . 1 . . . . 235 L HN . 16729 1 875 . 1 1 235 235 LEU C C 13 174.341 0.000 . 1 . . . . 235 L C . 16729 1 876 . 1 1 235 235 LEU CA C 13 53.410 0.000 . 1 . . . . 235 L CA . 16729 1 877 . 1 1 235 235 LEU CB C 13 36.859 0.000 . 1 . . . . 235 L CB . 16729 1 878 . 1 1 235 235 LEU N N 15 116.286 0.000 . 1 . . . . 235 L N . 16729 1 879 . 1 1 236 236 SER H H 1 7.644 0.000 . 1 . . . . 236 S HN . 16729 1 880 . 1 1 236 236 SER C C 13 174.415 0.000 . 1 . . . . 236 S C . 16729 1 881 . 1 1 236 236 SER CA C 13 51.658 0.000 . 1 . . . . 236 S CA . 16729 1 882 . 1 1 236 236 SER CB C 13 41.665 0.000 . 1 . . . . 236 S CB . 16729 1 883 . 1 1 236 236 SER N N 15 119.086 0.000 . 1 . . . . 236 S N . 16729 1 884 . 1 1 237 237 GLU C C 13 177.212 0.000 . 1 . . . . 237 E C . 16729 1 885 . 1 1 237 237 GLU CA C 13 61.632 0.000 . 1 . . . . 237 E CA . 16729 1 886 . 1 1 237 237 GLU CB C 13 31.953 0.000 . 1 . . . . 237 E CB . 16729 1 887 . 1 1 238 238 LEU H H 1 8.666 0.000 . 1 . . . . 238 L HN . 16729 1 888 . 1 1 238 238 LEU C C 13 177.036 0.000 . 1 . . . . 238 L C . 16729 1 889 . 1 1 238 238 LEU CA C 13 55.898 0.000 . 1 . . . . 238 L CA . 16729 1 890 . 1 1 238 238 LEU CB C 13 37.451 0.000 . 1 . . . . 238 L CB . 16729 1 891 . 1 1 238 238 LEU N N 15 117.742 0.000 . 1 . . . . 238 L N . 16729 1 892 . 1 1 239 239 ASN C C 13 175.586 0.000 . 1 . . . . 239 N C . 16729 1 893 . 1 1 240 240 LEU H H 1 7.940 0.000 . 1 . . . . 240 L HN . 16729 1 894 . 1 1 240 240 LEU C C 13 172.999 0.000 . 1 . . . . 240 L C . 16729 1 895 . 1 1 240 240 LEU CA C 13 60.927 0.000 . 1 . . . . 240 L CA . 16729 1 896 . 1 1 240 240 LEU CB C 13 27.321 0.000 . 1 . . . . 240 L CB . 16729 1 897 . 1 1 240 240 LEU N N 15 119.533 0.000 . 1 . . . . 240 L N . 16729 1 898 . 1 1 241 241 PRO C C 13 175.460 0.000 . 1 . . . . 241 P C . 16729 1 899 . 1 1 241 241 PRO CA C 13 54.028 0.000 . 1 . . . . 241 P CA . 16729 1 900 . 1 1 241 241 PRO CB C 13 41.653 0.000 . 1 . . . . 241 P CB . 16729 1 901 . 1 1 241 241 PRO N N 15 122.246 0.000 . 1 . . . . 241 P N . 16729 1 902 . 1 1 242 242 ASN H H 1 9.083 0.000 . 1 . . . . 242 N HN . 16729 1 903 . 1 1 242 242 ASN C C 13 175.136 0.000 . 1 . . . . 242 N C . 16729 1 904 . 1 1 242 242 ASN CA C 13 54.094 0.000 . 1 . . . . 242 N CA . 16729 1 905 . 1 1 242 242 ASN CB C 13 35.012 0.000 . 1 . . . . 242 N CB . 16729 1 906 . 1 1 242 242 ASN N N 15 127.417 0.000 . 1 . . . . 242 N N . 16729 1 907 . 1 1 243 243 SER H H 1 8.330 0.000 . 1 . . . . 243 S HN . 16729 1 908 . 1 1 243 243 SER C C 13 174.128 0.000 . 1 . . . . 243 S C . 16729 1 909 . 1 1 243 243 SER CA C 13 56.819 0.000 . 1 . . . . 243 S CA . 16729 1 910 . 1 1 243 243 SER CB C 13 63.619 0.000 . 1 . . . . 243 S CB . 16729 1 911 . 1 1 243 243 SER N N 15 117.573 0.000 . 1 . . . . 243 S N . 16729 1 912 . 1 1 244 244 CYS H H 1 8.153 0.000 . 1 . . . . 244 C HN . 16729 1 913 . 1 1 244 244 CYS C C 13 174.422 0.000 . 1 . . . . 244 C C . 16729 1 914 . 1 1 244 244 CYS CA C 13 58.639 0.000 . 1 . . . . 244 C CA . 16729 1 915 . 1 1 244 244 CYS CB C 13 39.611 0.000 . 1 . . . . 244 C CB . 16729 1 916 . 1 1 244 244 CYS N N 15 125.344 0.000 . 1 . . . . 244 C N . 16729 1 917 . 1 1 245 245 LEU H H 1 8.123 0.000 . 1 . . . . 245 L HN . 16729 1 918 . 1 1 245 245 LEU CA C 13 46.194 0.000 . 1 . . . . 245 L CA . 16729 1 919 . 1 1 245 245 LEU N N 15 116.796 0.000 . 1 . . . . 245 L N . 16729 1 920 . 1 1 246 246 LYS C C 13 174.492 0.000 . 1 . . . . 246 K C . 16729 1 921 . 1 1 246 246 LYS CA C 13 57.909 0.000 . 1 . . . . 246 K CA . 16729 1 922 . 1 1 246 246 LYS CB C 13 63.305 0.000 . 1 . . . . 246 K CB . 16729 1 923 . 1 1 247 247 SER H H 1 7.996 0.000 . 1 . . . . 247 S HN . 16729 1 924 . 1 1 247 247 SER C C 13 172.044 0.000 . 1 . . . . 247 S C . 16729 1 925 . 1 1 247 247 SER CA C 13 45.355 0.000 . 1 . . . . 247 S CA . 16729 1 926 . 1 1 247 247 SER N N 15 110.905 0.000 . 1 . . . . 247 S N . 16729 1 927 . 1 1 248 248 TYR H H 1 9.555 0.000 . 1 . . . . 248 Y HN . 16729 1 928 . 1 1 248 248 TYR C C 13 174.599 0.000 . 1 . . . . 248 Y C . 16729 1 929 . 1 1 248 248 TYR CA C 13 57.564 0.000 . 1 . . . . 248 Y CA . 16729 1 930 . 1 1 248 248 TYR CB C 13 43.313 0.000 . 1 . . . . 248 Y CB . 16729 1 931 . 1 1 248 248 TYR N N 15 124.144 0.000 . 1 . . . . 248 Y N . 16729 1 932 . 1 1 249 249 GLY H H 1 9.038 0.000 . 1 . . . . 249 G HN . 16729 1 933 . 1 1 249 249 GLY C C 13 173.824 0.000 . 1 . . . . 249 G C . 16729 1 934 . 1 1 249 249 GLY CA C 13 58.360 0.000 . 1 . . . . 249 G CA . 16729 1 935 . 1 1 249 249 GLY N N 15 111.136 0.000 . 1 . . . . 249 G N . 16729 1 936 . 1 1 250 250 SER H H 1 8.836 0.000 . 1 . . . . 250 S HN . 16729 1 937 . 1 1 250 250 SER C C 13 176.523 0.000 . 1 . . . . 250 S C . 16729 1 938 . 1 1 250 250 SER CA C 13 60.552 0.000 . 1 . . . . 250 S CA . 16729 1 939 . 1 1 250 250 SER CB C 13 33.258 0.000 . 1 . . . . 250 S CB . 16729 1 940 . 1 1 250 250 SER N N 15 120.257 0.000 . 1 . . . . 250 S N . 16729 1 941 . 1 1 251 251 GLY H H 1 9.259 0.000 . 1 . . . . 251 G HN . 16729 1 942 . 1 1 251 251 GLY C C 13 172.796 0.000 . 1 . . . . 251 G C . 16729 1 943 . 1 1 251 251 GLY CA C 13 60.678 0.000 . 1 . . . . 251 G CA . 16729 1 944 . 1 1 251 251 GLY N N 15 120.242 0.000 . 1 . . . . 251 G N . 16729 1 945 . 1 1 252 252 TYR H H 1 7.552 0.000 . 1 . . . . 252 Y HN . 16729 1 946 . 1 1 252 252 TYR C C 13 175.638 0.000 . 1 . . . . 252 Y C . 16729 1 947 . 1 1 252 252 TYR CA C 13 61.855 0.000 . 1 . . . . 252 Y CA . 16729 1 948 . 1 1 252 252 TYR CB C 13 31.598 0.000 . 1 . . . . 252 Y CB . 16729 1 949 . 1 1 252 252 TYR N N 15 109.172 0.000 . 1 . . . . 252 Y N . 16729 1 950 . 1 1 253 253 VAL H H 1 7.557 0.000 . 1 . . . . 253 V HN . 16729 1 951 . 1 1 253 253 VAL C C 13 175.912 0.000 . 1 . . . . 253 V C . 16729 1 952 . 1 1 253 253 VAL CA C 13 53.799 0.000 . 1 . . . . 253 V CA . 16729 1 953 . 1 1 253 253 VAL CB C 13 40.015 0.000 . 1 . . . . 253 V CB . 16729 1 954 . 1 1 253 253 VAL N N 15 119.149 0.000 . 1 . . . . 253 V N . 16729 1 955 . 1 1 254 254 VAL H H 1 8.208 0.000 . 1 . . . . 254 V HN . 16729 1 956 . 1 1 254 254 VAL C C 13 177.505 0.000 . 1 . . . . 254 V C . 16729 1 957 . 1 1 254 254 VAL CA C 13 53.949 0.000 . 1 . . . . 254 V CA . 16729 1 958 . 1 1 254 254 VAL CB C 13 41.353 0.000 . 1 . . . . 254 V CB . 16729 1 959 . 1 1 254 254 VAL N N 15 126.621 0.000 . 1 . . . . 254 V N . 16729 1 960 . 1 1 255 255 THR H H 1 8.309 0.000 . 1 . . . . 255 T HN . 16729 1 961 . 1 1 255 255 THR N N 15 117.182 0.000 . 1 . . . . 255 T N . 16729 1 962 . 1 1 256 256 VAL C C 13 178.878 0.000 . 1 . . . . 256 V C . 16729 1 963 . 1 1 256 256 VAL CA C 13 65.910 0.000 . 1 . . . . 256 V CA . 16729 1 964 . 1 1 256 256 VAL CB C 13 30.594 0.000 . 1 . . . . 256 V CB . 16729 1 965 . 1 1 257 257 ASP H H 1 6.752 0.000 . 1 . . . . 257 D HN . 16729 1 966 . 1 1 257 257 ASP C C 13 179.042 0.000 . 1 . . . . 257 D C . 16729 1 967 . 1 1 257 257 ASP CA C 13 56.860 0.000 . 1 . . . . 257 D CA . 16729 1 968 . 1 1 257 257 ASP CB C 13 41.801 0.000 . 1 . . . . 257 D CB . 16729 1 969 . 1 1 257 257 ASP N N 15 114.945 0.000 . 1 . . . . 257 D N . 16729 1 970 . 1 1 258 258 LEU C C 13 179.944 0.000 . 1 . . . . 258 L C . 16729 1 971 . 1 1 259 259 THR H H 1 8.364 0.000 . 1 . . . . 259 T HN . 16729 1 972 . 1 1 259 259 THR C C 13 178.099 0.000 . 1 . . . . 259 T C . 16729 1 973 . 1 1 259 259 THR CA C 13 58.145 0.000 . 1 . . . . 259 T CA . 16729 1 974 . 1 1 259 259 THR CB C 13 31.282 0.000 . 1 . . . . 259 T CB . 16729 1 975 . 1 1 259 259 THR N N 15 121.967 0.000 . 1 . . . . 259 T N . 16729 1 976 . 1 1 260 260 PRO C C 13 180.419 0.000 . 1 . . . . 260 P C . 16729 1 977 . 1 1 260 260 PRO CA C 13 59.246 0.000 . 1 . . . . 260 P CA . 16729 1 978 . 1 1 260 260 PRO CB C 13 32.865 0.000 . 1 . . . . 260 P CB . 16729 1 979 . 1 1 260 260 PRO N N 15 118.569 0.000 . 1 . . . . 260 P N . 16729 1 980 . 1 1 261 261 LEU H H 1 7.968 0.000 . 1 . . . . 261 L HN . 16729 1 981 . 1 1 261 261 LEU C C 13 177.181 0.000 . 1 . . . . 261 L C . 16729 1 982 . 1 1 261 261 LEU CA C 13 67.491 0.000 . 1 . . . . 261 L CA . 16729 1 983 . 1 1 261 261 LEU CB C 13 31.049 0.000 . 1 . . . . 261 L CB . 16729 1 984 . 1 1 261 261 LEU N N 15 119.078 0.000 . 1 . . . . 261 L N . 16729 1 985 . 1 1 262 262 GLN H H 1 7.936 0.000 . 1 . . . . 262 Q HN . 16729 1 986 . 1 1 262 262 GLN C C 13 179.905 0.000 . 1 . . . . 262 Q C . 16729 1 987 . 1 1 262 262 GLN CA C 13 58.626 0.000 . 1 . . . . 262 Q CA . 16729 1 988 . 1 1 262 262 GLN CB C 13 27.721 0.000 . 1 . . . . 262 Q CB . 16729 1 989 . 1 1 262 262 GLN N N 15 120.285 0.000 . 1 . . . . 262 Q N . 16729 1 990 . 1 1 263 263 LYS H H 1 8.735 0.000 . 1 . . . . 263 K HN . 16729 1 991 . 1 1 263 263 LYS C C 13 179.779 0.000 . 1 . . . . 263 K C . 16729 1 992 . 1 1 263 263 LYS CA C 13 56.662 0.000 . 1 . . . . 263 K CA . 16729 1 993 . 1 1 263 263 LYS CB C 13 39.353 0.000 . 1 . . . . 263 K CB . 16729 1 994 . 1 1 263 263 LYS N N 15 120.825 0.000 . 1 . . . . 263 K N . 16729 1 995 . 1 1 264 264 MET H H 1 7.988 0.000 . 1 . . . . 264 M HN . 16729 1 996 . 1 1 264 264 MET C C 13 179.873 0.000 . 1 . . . . 264 M C . 16729 1 997 . 1 1 264 264 MET CA C 13 64.819 0.000 . 1 . . . . 264 M CA . 16729 1 998 . 1 1 264 264 MET CB C 13 36.951 0.000 . 1 . . . . 264 M CB . 16729 1 999 . 1 1 264 264 MET N N 15 122.338 0.000 . 1 . . . . 264 M N . 16729 1 1000 . 1 1 265 265 VAL H H 1 8.407 0.000 . 1 . . . . 265 V HN . 16729 1 1001 . 1 1 265 265 VAL C C 13 179.520 0.000 . 1 . . . . 265 V C . 16729 1 1002 . 1 1 265 265 VAL CA C 13 57.381 0.000 . 1 . . . . 265 V CA . 16729 1 1003 . 1 1 265 265 VAL CB C 13 39.057 0.000 . 1 . . . . 265 V CB . 16729 1 1004 . 1 1 265 265 VAL N N 15 123.843 0.000 . 1 . . . . 265 V N . 16729 1 1005 . 1 1 266 266 GLN H H 1 8.005 0.000 . 1 . . . . 266 Q HN . 16729 1 1006 . 1 1 266 266 GLN C C 13 174.976 0.000 . 1 . . . . 266 Q C . 16729 1 1007 . 1 1 266 266 GLN CA C 13 45.550 0.000 . 1 . . . . 266 Q CA . 16729 1 1008 . 1 1 266 266 GLN N N 15 106.388 0.000 . 1 . . . . 266 Q N . 16729 1 1009 . 1 1 267 267 ASP H H 1 7.517 0.000 . 1 . . . . 267 D HN . 16729 1 1010 . 1 1 267 267 ASP C C 13 177.450 0.000 . 1 . . . . 267 D C . 16729 1 1011 . 1 1 267 267 ASP CA C 13 56.085 0.000 . 1 . . . . 267 D CA . 16729 1 1012 . 1 1 267 267 ASP CB C 13 41.953 0.000 . 1 . . . . 267 D CB . 16729 1 1013 . 1 1 267 267 ASP N N 15 120.092 0.000 . 1 . . . . 267 D N . 16729 1 1014 . 1 1 268 268 ILE H H 1 7.040 0.000 . 1 . . . . 268 I HN . 16729 1 1015 . 1 1 268 268 ILE C C 13 171.774 0.000 . 1 . . . . 268 I C . 16729 1 1016 . 1 1 268 268 ILE CA C 13 42.819 0.000 . 1 . . . . 268 I CA . 16729 1 1017 . 1 1 268 268 ILE N N 15 104.054 0.000 . 1 . . . . 268 I N . 16729 1 1018 . 1 1 269 269 ASP H H 1 8.070 0.000 . 1 . . . . 269 D HN . 16729 1 1019 . 1 1 269 269 ASP C C 13 176.167 0.000 . 1 . . . . 269 D C . 16729 1 1020 . 1 1 269 269 ASP CA C 13 49.515 0.000 . 1 . . . . 269 D CA . 16729 1 1021 . 1 1 269 269 ASP CB C 13 17.716 0.000 . 1 . . . . 269 D CB . 16729 1 1022 . 1 1 269 269 ASP N N 15 122.731 0.000 . 1 . . . . 269 D N . 16729 1 1023 . 1 1 270 270 GLY C C 13 176.723 0.000 . 1 . . . . 270 G C . 16729 1 1024 . 1 1 270 270 GLY CA C 13 61.854 0.000 . 1 . . . . 270 G CA . 16729 1 1025 . 1 1 271 271 LEU H H 1 8.243 0.000 . 1 . . . . 271 L HN . 16729 1 1026 . 1 1 271 271 LEU C C 13 175.510 0.000 . 1 . . . . 271 L C . 16729 1 1027 . 1 1 271 271 LEU CA C 13 43.813 0.000 . 1 . . . . 271 L CA . 16729 1 1028 . 1 1 271 271 LEU N N 15 106.522 0.000 . 1 . . . . 271 L N . 16729 1 1029 . 1 1 272 272 GLY H H 1 8.069 0.000 . 1 . . . . 272 G HN . 16729 1 1030 . 1 1 272 272 GLY C C 13 177.057 0.000 . 1 . . . . 272 G C . 16729 1 1031 . 1 1 272 272 GLY N N 15 123.659 0.000 . 1 . . . . 272 G N . 16729 1 1032 . 1 1 273 273 ALA H H 1 8.087 0.000 . 1 . . . . 273 A HN . 16729 1 1033 . 1 1 273 273 ALA C C 13 176.360 0.000 . 1 . . . . 273 A C . 16729 1 1034 . 1 1 273 273 ALA CA C 13 53.023 0.000 . 1 . . . . 273 A CA . 16729 1 1035 . 1 1 273 273 ALA CB C 13 39.445 0.000 . 1 . . . . 273 A CB . 16729 1 1036 . 1 1 273 273 ALA N N 15 118.136 0.000 . 1 . . . . 273 A N . 16729 1 1037 . 1 1 274 274 PRO C C 13 172.913 0.000 . 1 . . . . 274 P C . 16729 1 1038 . 1 1 274 274 PRO CA C 13 60.530 0.000 . 1 . . . . 274 P CA . 16729 1 1039 . 1 1 274 274 PRO CB C 13 62.021 0.000 . 1 . . . . 274 P CB . 16729 1 1040 . 1 1 274 274 PRO N N 15 111.226 0.000 . 1 . . . . 274 P N . 16729 1 1041 . 1 1 275 275 GLY H H 1 7.898 0.000 . 1 . . . . 275 G HN . 16729 1 1042 . 1 1 275 275 GLY C C 13 174.473 0.000 . 1 . . . . 275 G C . 16729 1 1043 . 1 1 275 275 GLY CA C 13 53.971 0.000 . 1 . . . . 275 G CA . 16729 1 1044 . 1 1 275 275 GLY N N 15 119.745 0.000 . 1 . . . . 275 G N . 16729 1 1045 . 1 1 276 276 LYS H H 1 8.507 0.000 . 1 . . . . 276 K HN . 16729 1 1046 . 1 1 276 276 LYS C C 13 174.710 0.000 . 1 . . . . 276 K C . 16729 1 1047 . 1 1 276 276 LYS CA C 13 53.618 0.000 . 1 . . . . 276 K CA . 16729 1 1048 . 1 1 276 276 LYS CB C 13 45.523 0.000 . 1 . . . . 276 K CB . 16729 1 1049 . 1 1 276 276 LYS N N 15 123.371 0.000 . 1 . . . . 276 K N . 16729 1 1050 . 1 1 277 277 ASP H H 1 8.860 0.000 . 1 . . . . 277 D HN . 16729 1 1051 . 1 1 277 277 ASP C C 13 175.356 0.000 . 1 . . . . 277 D C . 16729 1 1052 . 1 1 277 277 ASP CA C 13 55.003 0.000 . 1 . . . . 277 D CA . 16729 1 1053 . 1 1 277 277 ASP CB C 13 30.203 0.000 . 1 . . . . 277 D CB . 16729 1 1054 . 1 1 277 277 ASP N N 15 129.294 0.000 . 1 . . . . 277 D N . 16729 1 1055 . 1 1 278 278 SER H H 1 9.138 0.000 . 1 . . . . 278 S HN . 16729 1 1056 . 1 1 278 278 SER C C 13 173.832 0.000 . 1 . . . . 278 S C . 16729 1 1057 . 1 1 278 278 SER CA C 13 53.871 0.000 . 1 . . . . 278 S CA . 16729 1 1058 . 1 1 278 278 SER CB C 13 37.363 0.000 . 1 . . . . 278 S CB . 16729 1 1059 . 1 1 278 278 SER N N 15 123.868 0.000 . 1 . . . . 278 S N . 16729 1 1060 . 1 1 279 279 LYS H H 1 8.358 0.000 . 1 . . . . 279 K HN . 16729 1 1061 . 1 1 279 279 LYS C C 13 176.496 0.000 . 1 . . . . 279 K C . 16729 1 1062 . 1 1 279 279 LYS CA C 13 53.157 0.000 . 1 . . . . 279 K CA . 16729 1 1063 . 1 1 279 279 LYS CB C 13 41.012 0.000 . 1 . . . . 279 K CB . 16729 1 1064 . 1 1 279 279 LYS N N 15 119.552 0.000 . 1 . . . . 279 K N . 16729 1 1065 . 1 1 280 280 LEU H H 1 8.022 0.000 . 1 . . . . 280 L HN . 16729 1 1066 . 1 1 280 280 LEU C C 13 177.195 0.000 . 1 . . . . 280 L C . 16729 1 1067 . 1 1 280 280 LEU CA C 13 56.761 0.000 . 1 . . . . 280 L CA . 16729 1 1068 . 1 1 280 280 LEU CB C 13 37.890 0.000 . 1 . . . . 280 L CB . 16729 1 1069 . 1 1 280 280 LEU N N 15 119.245 0.000 . 1 . . . . 280 L N . 16729 1 1070 . 1 1 281 281 GLU H H 1 8.529 0.000 . 1 . . . . 281 E HN . 16729 1 1071 . 1 1 281 281 GLU C C 13 180.896 0.000 . 1 . . . . 281 E C . 16729 1 1072 . 1 1 281 281 GLU CA C 13 55.158 0.000 . 1 . . . . 281 E CA . 16729 1 1073 . 1 1 281 281 GLU CB C 13 17.131 0.000 . 1 . . . . 281 E CB . 16729 1 1074 . 1 1 281 281 GLU N N 15 122.127 0.000 . 1 . . . . 281 E N . 16729 1 1075 . 1 1 282 282 MET H H 1 8.002 0.000 . 1 . . . . 282 M HN . 16729 1 1076 . 1 1 282 282 MET C C 13 179.357 0.000 . 1 . . . . 282 M C . 16729 1 1077 . 1 1 282 282 MET CA C 13 58.820 0.000 . 1 . . . . 282 M CA . 16729 1 1078 . 1 1 282 282 MET CB C 13 31.611 0.000 . 1 . . . . 282 M CB . 16729 1 1079 . 1 1 282 282 MET N N 15 122.628 0.000 . 1 . . . . 282 M N . 16729 1 1080 . 1 1 283 283 ASP H H 1 8.416 0.000 . 1 . . . . 283 D HN . 16729 1 1081 . 1 1 283 283 ASP C C 13 177.008 0.000 . 1 . . . . 283 D C . 16729 1 1082 . 1 1 283 283 ASP CA C 13 61.190 0.000 . 1 . . . . 283 D CA . 16729 1 1083 . 1 1 283 283 ASP CB C 13 37.351 0.000 . 1 . . . . 283 D CB . 16729 1 1084 . 1 1 283 283 ASP N N 15 120.799 0.000 . 1 . . . . 283 D N . 16729 1 1085 . 1 1 284 284 ASN H H 1 8.801 0.000 . 1 . . . . 284 N HN . 16729 1 1086 . 1 1 284 284 ASN C C 13 179.318 0.000 . 1 . . . . 284 N C . 16729 1 1087 . 1 1 284 284 ASN CA C 13 58.490 0.000 . 1 . . . . 284 N CA . 16729 1 1088 . 1 1 284 284 ASN CB C 13 27.163 0.000 . 1 . . . . 284 N CB . 16729 1 1089 . 1 1 284 284 ASN N N 15 119.104 0.000 . 1 . . . . 284 N N . 16729 1 1090 . 1 1 285 285 ALA H H 1 7.710 0.000 . 1 . . . . 285 A HN . 16729 1 1091 . 1 1 285 285 ALA C C 13 180.618 0.000 . 1 . . . . 285 A C . 16729 1 1092 . 1 1 285 285 ALA CA C 13 54.610 0.000 . 1 . . . . 285 A CA . 16729 1 1093 . 1 1 285 285 ALA CB C 13 17.266 0.000 . 1 . . . . 285 A CB . 16729 1 1094 . 1 1 285 285 ALA N N 15 122.393 0.000 . 1 . . . . 285 A N . 16729 1 1095 . 1 1 286 286 LYS H H 1 8.197 0.000 . 1 . . . . 286 K HN . 16729 1 1096 . 1 1 286 286 LYS C C 13 178.566 0.000 . 1 . . . . 286 K C . 16729 1 1097 . 1 1 286 286 LYS CA C 13 61.096 0.000 . 1 . . . . 286 K CA . 16729 1 1098 . 1 1 286 286 LYS CB C 13 26.946 0.000 . 1 . . . . 286 K CB . 16729 1 1099 . 1 1 286 286 LYS N N 15 122.240 0.000 . 1 . . . . 286 K N . 16729 1 1100 . 1 1 287 287 TYR H H 1 9.094 0.000 . 1 . . . . 287 Y HN . 16729 1 1101 . 1 1 287 287 TYR C C 13 178.129 0.000 . 1 . . . . 287 Y C . 16729 1 1102 . 1 1 287 287 TYR CA C 13 58.191 0.000 . 1 . . . . 287 Y CA . 16729 1 1103 . 1 1 287 287 TYR CB C 13 27.185 0.000 . 1 . . . . 287 Y CB . 16729 1 1104 . 1 1 287 287 TYR N N 15 121.216 0.000 . 1 . . . . 287 Y N . 16729 1 1105 . 1 1 288 288 GLN H H 1 7.795 0.000 . 1 . . . . 288 Q HN . 16729 1 1106 . 1 1 288 288 GLN C C 13 177.693 0.000 . 1 . . . . 288 Q C . 16729 1 1107 . 1 1 288 288 GLN CA C 13 61.436 0.000 . 1 . . . . 288 Q CA . 16729 1 1108 . 1 1 288 288 GLN CB C 13 62.268 0.000 . 1 . . . . 288 Q CB . 16729 1 1109 . 1 1 288 288 GLN N N 15 114.556 0.000 . 1 . . . . 288 Q N . 16729 1 1110 . 1 1 289 289 ALA H H 1 7.405 0.000 . 1 . . . . 289 A HN . 16729 1 1111 . 1 1 289 289 ALA C C 13 176.927 0.000 . 1 . . . . 289 A C . 16729 1 1112 . 1 1 289 289 ALA CA C 13 46.455 0.000 . 1 . . . . 289 A CA . 16729 1 1113 . 1 1 289 289 ALA N N 15 110.261 0.000 . 1 . . . . 289 A N . 16729 1 1114 . 1 1 290 290 TRP H H 1 8.143 0.000 . 1 . . . . 290 W HN . 16729 1 1115 . 1 1 290 290 TRP C C 13 177.878 0.000 . 1 . . . . 290 W C . 16729 1 1116 . 1 1 290 290 TRP CA C 13 61.390 0.000 . 1 . . . . 290 W CA . 16729 1 1117 . 1 1 290 290 TRP CB C 13 38.276 0.000 . 1 . . . . 290 W CB . 16729 1 1118 . 1 1 290 290 TRP N N 15 127.943 0.000 . 1 . . . . 290 W N . 16729 1 1119 . 1 1 291 291 GLN H H 1 8.616 0.000 . 1 . . . . 291 Q HN . 16729 1 1120 . 1 1 291 291 GLN C C 13 178.860 0.000 . 1 . . . . 291 Q C . 16729 1 1121 . 1 1 291 291 GLN CA C 13 57.647 0.000 . 1 . . . . 291 Q CA . 16729 1 1122 . 1 1 291 291 GLN CB C 13 30.548 0.000 . 1 . . . . 291 Q CB . 16729 1 1123 . 1 1 291 291 GLN N N 15 120.109 0.000 . 1 . . . . 291 Q N . 16729 1 1124 . 1 1 292 292 SER H H 1 7.532 0.000 . 1 . . . . 292 S HN . 16729 1 1125 . 1 1 292 292 SER C C 13 180.857 0.000 . 1 . . . . 292 S C . 16729 1 1126 . 1 1 292 292 SER CA C 13 54.594 0.000 . 1 . . . . 292 S CA . 16729 1 1127 . 1 1 292 292 SER CB C 13 16.970 0.000 . 1 . . . . 292 S CB . 16729 1 1128 . 1 1 292 292 SER N N 15 120.369 0.000 . 1 . . . . 292 S N . 16729 1 1129 . 1 1 293 293 GLY H H 1 7.129 0.000 . 1 . . . . 293 G HN . 16729 1 1130 . 1 1 293 293 GLY C C 13 178.255 0.000 . 1 . . . . 293 G C . 16729 1 1131 . 1 1 293 293 GLY CA C 13 56.799 0.000 . 1 . . . . 293 G CA . 16729 1 1132 . 1 1 293 293 GLY N N 15 116.214 0.000 . 1 . . . . 293 G N . 16729 1 1133 . 1 1 294 294 PHE H H 1 7.932 0.000 . 1 . . . . 294 F HN . 16729 1 1134 . 1 1 294 294 PHE C C 13 178.883 0.000 . 1 . . . . 294 F C . 16729 1 1135 . 1 1 294 294 PHE CA C 13 59.555 0.000 . 1 . . . . 294 F CA . 16729 1 1136 . 1 1 294 294 PHE CB C 13 28.318 0.000 . 1 . . . . 294 F CB . 16729 1 1137 . 1 1 294 294 PHE N N 15 123.666 0.000 . 1 . . . . 294 F N . 16729 1 1138 . 1 1 295 295 LYS H H 1 8.524 0.000 . 1 . . . . 295 K HN . 16729 1 1139 . 1 1 295 295 LYS C C 13 179.219 0.000 . 1 . . . . 295 K C . 16729 1 1140 . 1 1 295 295 LYS CA C 13 58.550 0.000 . 1 . . . . 295 K CA . 16729 1 1141 . 1 1 295 295 LYS CB C 13 28.035 0.000 . 1 . . . . 295 K CB . 16729 1 1142 . 1 1 295 295 LYS N N 15 118.842 0.000 . 1 . . . . 295 K N . 16729 1 1143 . 1 1 296 296 ALA H H 1 7.632 0.000 . 1 . . . . 296 A HN . 16729 1 1144 . 1 1 296 296 ALA C C 13 178.161 0.000 . 1 . . . . 296 A C . 16729 1 1145 . 1 1 296 296 ALA CA C 13 56.124 0.000 . 1 . . . . 296 A CA . 16729 1 1146 . 1 1 296 296 ALA CB C 13 37.224 0.000 . 1 . . . . 296 A CB . 16729 1 1147 . 1 1 296 296 ALA N N 15 120.300 0.000 . 1 . . . . 296 A N . 16729 1 1148 . 1 1 297 297 GLN H H 1 7.548 0.000 . 1 . . . . 297 Q HN . 16729 1 1149 . 1 1 297 297 GLN C C 13 177.615 0.000 . 1 . . . . 297 Q C . 16729 1 1150 . 1 1 297 297 GLN CA C 13 59.218 0.000 . 1 . . . . 297 Q CA . 16729 1 1151 . 1 1 297 297 GLN CB C 13 32.373 0.000 . 1 . . . . 297 Q CB . 16729 1 1152 . 1 1 297 297 GLN N N 15 120.287 0.000 . 1 . . . . 297 Q N . 16729 1 1153 . 1 1 298 298 GLU H H 1 8.246 0.000 . 1 . . . . 298 E HN . 16729 1 1154 . 1 1 298 298 GLU C C 13 179.297 0.000 . 1 . . . . 298 E C . 16729 1 1155 . 1 1 298 298 GLU CA C 13 59.616 0.000 . 1 . . . . 298 E CA . 16729 1 1156 . 1 1 298 298 GLU CB C 13 31.649 0.000 . 1 . . . . 298 E CB . 16729 1 1157 . 1 1 298 298 GLU N N 15 120.253 0.000 . 1 . . . . 298 E N . 16729 1 1158 . 1 1 299 299 GLU H H 1 8.839 0.000 . 1 . . . . 299 E HN . 16729 1 1159 . 1 1 299 299 GLU C C 13 177.213 0.000 . 1 . . . . 299 E C . 16729 1 1160 . 1 1 299 299 GLU CA C 13 66.211 0.000 . 1 . . . . 299 E CA . 16729 1 1161 . 1 1 299 299 GLU CB C 13 67.895 0.000 . 1 . . . . 299 E CB . 16729 1 1162 . 1 1 299 299 GLU N N 15 117.204 0.000 . 1 . . . . 299 E N . 16729 1 1163 . 1 1 300 300 ASN H H 1 8.081 0.000 . 1 . . . . 300 N HN . 16729 1 1164 . 1 1 300 300 ASN C C 13 175.267 0.000 . 1 . . . . 300 N C . 16729 1 1165 . 1 1 300 300 ASN CA C 13 67.359 0.000 . 1 . . . . 300 N CA . 16729 1 1166 . 1 1 300 300 ASN N N 15 123.178 0.000 . 1 . . . . 300 N N . 16729 1 1167 . 1 1 301 301 MET H H 1 7.690 0.000 . 1 . . . . 301 M HN . 16729 1 1168 . 1 1 301 301 MET C C 13 179.352 0.000 . 1 . . . . 301 M C . 16729 1 1169 . 1 1 301 301 MET CA C 13 58.207 0.000 . 1 . . . . 301 M CA . 16729 1 1170 . 1 1 301 301 MET CB C 13 40.337 0.000 . 1 . . . . 301 M CB . 16729 1 1171 . 1 1 301 301 MET N N 15 121.627 0.000 . 1 . . . . 301 M N . 16729 1 1172 . 1 1 302 302 LYS H H 1 8.513 0.000 . 1 . . . . 302 K HN . 16729 1 1173 . 1 1 302 302 LYS C C 13 178.997 0.000 . 1 . . . . 302 K C . 16729 1 1174 . 1 1 302 302 LYS CA C 13 58.856 0.000 . 1 . . . . 302 K CA . 16729 1 1175 . 1 1 302 302 LYS CB C 13 27.570 0.000 . 1 . . . . 302 K CB . 16729 1 1176 . 1 1 302 302 LYS N N 15 120.765 0.000 . 1 . . . . 302 K N . 16729 1 1177 . 1 1 303 303 THR H H 1 8.742 0.000 . 1 . . . . 303 T HN . 16729 1 1178 . 1 1 303 303 THR C C 13 177.022 0.000 . 1 . . . . 303 T C . 16729 1 1179 . 1 1 303 303 THR CA C 13 66.208 0.000 . 1 . . . . 303 T CA . 16729 1 1180 . 1 1 303 303 THR CB C 13 68.077 0.000 . 1 . . . . 303 T CB . 16729 1 1181 . 1 1 303 303 THR N N 15 118.473 0.000 . 1 . . . . 303 T N . 16729 1 1182 . 1 1 304 304 THR H H 1 8.318 0.000 . 1 . . . . 304 T HN . 16729 1 1183 . 1 1 304 304 THR C C 13 179.148 0.000 . 1 . . . . 304 T C . 16729 1 1184 . 1 1 304 304 THR CA C 13 58.107 0.000 . 1 . . . . 304 T CA . 16729 1 1185 . 1 1 304 304 THR CB C 13 40.074 0.000 . 1 . . . . 304 T CB . 16729 1 1186 . 1 1 304 304 THR N N 15 121.970 0.000 . 1 . . . . 304 T N . 16729 1 1187 . 1 1 305 305 LEU H H 1 8.289 0.000 . 1 . . . . 305 L HN . 16729 1 1188 . 1 1 305 305 LEU C C 13 176.780 0.000 . 1 . . . . 305 L C . 16729 1 1189 . 1 1 305 305 LEU CA C 13 67.068 0.000 . 1 . . . . 305 L CA . 16729 1 1190 . 1 1 305 305 LEU CB C 13 67.716 0.000 . 1 . . . . 305 L CB . 16729 1 1191 . 1 1 305 305 LEU N N 15 115.042 0.000 . 1 . . . . 305 L N . 16729 1 1192 . 1 1 306 306 GLN H H 1 8.212 0.000 . 1 . . . . 306 Q HN . 16729 1 1193 . 1 1 306 306 GLN C C 13 178.808 0.000 . 1 . . . . 306 Q C . 16729 1 1194 . 1 1 306 306 GLN CA C 13 58.528 0.000 . 1 . . . . 306 Q CA . 16729 1 1195 . 1 1 306 306 GLN CB C 13 27.365 0.000 . 1 . . . . 306 Q CB . 16729 1 1196 . 1 1 306 306 GLN N N 15 124.372 0.000 . 1 . . . . 306 Q N . 16729 1 1197 . 1 1 307 307 THR H H 1 8.163 0.000 . 1 . . . . 307 T HN . 16729 1 1198 . 1 1 307 307 THR C C 13 180.301 0.000 . 1 . . . . 307 T C . 16729 1 1199 . 1 1 307 307 THR CA C 13 59.914 0.000 . 1 . . . . 307 T CA . 16729 1 1200 . 1 1 307 307 THR CB C 13 31.808 0.000 . 1 . . . . 307 T CB . 16729 1 1201 . 1 1 307 307 THR N N 15 121.750 0.000 . 1 . . . . 307 T N . 16729 1 1202 . 1 1 308 308 LEU H H 1 8.254 0.000 . 1 . . . . 308 L HN . 16729 1 1203 . 1 1 308 308 LEU C C 13 176.121 0.000 . 1 . . . . 308 L C . 16729 1 1204 . 1 1 308 308 LEU CA C 13 60.310 0.000 . 1 . . . . 308 L CA . 16729 1 1205 . 1 1 308 308 LEU CB C 13 36.587 0.000 . 1 . . . . 308 L CB . 16729 1 1206 . 1 1 308 308 LEU N N 15 122.827 0.000 . 1 . . . . 308 L N . 16729 1 1207 . 1 1 309 309 THR C C 13 178.982 0.000 . 1 . . . . 309 T C . 16729 1 1208 . 1 1 310 310 GLN H H 1 8.024 0.000 . 1 . . . . 310 Q HN . 16729 1 1209 . 1 1 310 310 GLN C C 13 177.273 0.000 . 1 . . . . 310 Q C . 16729 1 1210 . 1 1 310 310 GLN CA C 13 55.685 0.000 . 1 . . . . 310 Q CA . 16729 1 1211 . 1 1 310 310 GLN CB C 13 37.257 0.000 . 1 . . . . 310 Q CB . 16729 1 1212 . 1 1 310 310 GLN N N 15 119.311 0.000 . 1 . . . . 310 Q N . 16729 1 1213 . 1 1 311 311 LYS H H 1 7.513 0.000 . 1 . . . . 311 K HN . 16729 1 1214 . 1 1 311 311 LYS C C 13 178.824 0.000 . 1 . . . . 311 K C . 16729 1 1215 . 1 1 311 311 LYS CA C 13 54.916 0.000 . 1 . . . . 311 K CA . 16729 1 1216 . 1 1 311 311 LYS CB C 13 18.022 0.000 . 1 . . . . 311 K CB . 16729 1 1217 . 1 1 311 311 LYS N N 15 125.822 0.000 . 1 . . . . 311 K N . 16729 1 1218 . 1 1 312 312 TYR H H 1 8.730 0.000 . 1 . . . . 312 Y HN . 16729 1 1219 . 1 1 312 312 TYR C C 13 178.602 0.000 . 1 . . . . 312 Y C . 16729 1 1220 . 1 1 312 312 TYR CA C 13 56.204 0.000 . 1 . . . . 312 Y CA . 16729 1 1221 . 1 1 312 312 TYR CB C 13 38.266 0.000 . 1 . . . . 312 Y CB . 16729 1 1222 . 1 1 312 312 TYR N N 15 118.486 0.000 . 1 . . . . 312 Y N . 16729 1 1223 . 1 1 313 313 SER C C 13 175.890 0.000 . 1 . . . . 313 S C . 16729 1 1224 . 1 1 313 313 SER CB C 13 62.470 0.000 . 1 . . . . 313 S CB . 16729 1 1225 . 1 1 314 314 ASN H H 1 7.946 0.000 . 1 . . . . 314 N HN . 16729 1 1226 . 1 1 314 314 ASN C C 13 179.234 0.000 . 1 . . . . 314 N C . 16729 1 1227 . 1 1 314 314 ASN CA C 13 58.392 0.000 . 1 . . . . 314 N CA . 16729 1 1228 . 1 1 314 314 ASN CB C 13 40.626 0.000 . 1 . . . . 314 N CB . 16729 1 1229 . 1 1 314 314 ASN N N 15 125.261 0.000 . 1 . . . . 314 N N . 16729 1 1230 . 1 1 315 315 ALA H H 1 7.946 0.000 . 1 . . . . 315 A HN . 16729 1 1231 . 1 1 315 315 ALA C C 13 177.182 0.000 . 1 . . . . 315 A C . 16729 1 1232 . 1 1 315 315 ALA CA C 13 62.398 0.000 . 1 . . . . 315 A CA . 16729 1 1233 . 1 1 315 315 ALA CB C 13 37.500 0.000 . 1 . . . . 315 A CB . 16729 1 1234 . 1 1 315 315 ALA N N 15 120.613 0.000 . 1 . . . . 315 A N . 16729 1 1235 . 1 1 316 316 ASN H H 1 8.395 0.000 . 1 . . . . 316 N HN . 16729 1 1236 . 1 1 316 316 ASN C C 13 178.100 0.000 . 1 . . . . 316 N C . 16729 1 1237 . 1 1 316 316 ASN CA C 13 57.381 0.000 . 1 . . . . 316 N CA . 16729 1 1238 . 1 1 316 316 ASN N N 15 118.174 0.000 . 1 . . . . 316 N N . 16729 1 1239 . 1 1 317 317 SER H H 1 8.351 0.000 . 1 . . . . 317 S HN . 16729 1 1240 . 1 1 317 317 SER C C 13 178.227 0.000 . 1 . . . . 317 S C . 16729 1 1241 . 1 1 317 317 SER CA C 13 56.006 0.000 . 1 . . . . 317 S CA . 16729 1 1242 . 1 1 317 317 SER CB C 13 37.396 0.000 . 1 . . . . 317 S CB . 16729 1 1243 . 1 1 317 317 SER N N 15 117.008 0.000 . 1 . . . . 317 S N . 16729 1 1244 . 1 1 318 318 LEU H H 1 7.381 0.000 . 1 . . . . 318 L HN . 16729 1 1245 . 1 1 318 318 LEU C C 13 179.117 0.000 . 1 . . . . 318 L C . 16729 1 1246 . 1 1 318 318 LEU CA C 13 57.241 0.000 . 1 . . . . 318 L CA . 16729 1 1247 . 1 1 318 318 LEU CB C 13 39.338 0.000 . 1 . . . . 318 L CB . 16729 1 1248 . 1 1 318 318 LEU N N 15 120.400 0.000 . 1 . . . . 318 L N . 16729 1 1249 . 1 1 319 319 TYR H H 1 8.059 0.000 . 1 . . . . 319 Y HN . 16729 1 1250 . 1 1 319 319 TYR C C 13 178.504 0.000 . 1 . . . . 319 Y C . 16729 1 1251 . 1 1 319 319 TYR CA C 13 66.835 0.000 . 1 . . . . 319 Y CA . 16729 1 1252 . 1 1 319 319 TYR CB C 13 29.772 0.000 . 1 . . . . 319 Y CB . 16729 1 1253 . 1 1 319 319 TYR N N 15 121.005 0.000 . 1 . . . . 319 Y N . 16729 1 1254 . 1 1 320 320 ASP H H 1 8.710 0.000 . 1 . . . . 320 D HN . 16729 1 1255 . 1 1 320 320 ASP C C 13 179.934 0.000 . 1 . . . . 320 D C . 16729 1 1256 . 1 1 320 320 ASP CA C 13 59.838 0.000 . 1 . . . . 320 D CA . 16729 1 1257 . 1 1 320 320 ASP CB C 13 31.455 0.000 . 1 . . . . 320 D CB . 16729 1 1258 . 1 1 320 320 ASP N N 15 121.252 0.000 . 1 . . . . 320 D N . 16729 1 1259 . 1 1 321 321 ASN H H 1 7.566 0.000 . 1 . . . . 321 N HN . 16729 1 1260 . 1 1 321 321 ASN C C 13 179.888 0.000 . 1 . . . . 321 N C . 16729 1 1261 . 1 1 321 321 ASN CA C 13 65.812 0.000 . 1 . . . . 321 N CA . 16729 1 1262 . 1 1 321 321 ASN CB C 13 30.451 0.000 . 1 . . . . 321 N CB . 16729 1 1263 . 1 1 321 321 ASN N N 15 121.110 0.000 . 1 . . . . 321 N N . 16729 1 1264 . 1 1 322 322 LEU H H 1 8.010 0.000 . 1 . . . . 322 L HN . 16729 1 1265 . 1 1 322 322 LEU C C 13 178.199 0.000 . 1 . . . . 322 L C . 16729 1 1266 . 1 1 322 322 LEU CA C 13 58.203 0.000 . 1 . . . . 322 L CA . 16729 1 1267 . 1 1 322 322 LEU CB C 13 41.231 0.000 . 1 . . . . 322 L CB . 16729 1 1268 . 1 1 322 322 LEU N N 15 123.106 0.000 . 1 . . . . 322 L N . 16729 1 1269 . 1 1 323 323 VAL H H 1 9.240 0.000 . 1 . . . . 323 V HN . 16729 1 1270 . 1 1 323 323 VAL C C 13 177.822 0.000 . 1 . . . . 323 V C . 16729 1 1271 . 1 1 323 323 VAL CA C 13 61.541 0.000 . 1 . . . . 323 V CA . 16729 1 1272 . 1 1 323 323 VAL CB C 13 62.432 0.000 . 1 . . . . 323 V CB . 16729 1 1273 . 1 1 323 323 VAL N N 15 114.769 0.000 . 1 . . . . 323 V N . 16729 1 1274 . 1 1 324 324 LYS H H 1 8.532 0.000 . 1 . . . . 324 K HN . 16729 1 1275 . 1 1 324 324 LYS C C 13 177.360 0.000 . 1 . . . . 324 K C . 16729 1 1276 . 1 1 324 324 LYS CA C 13 61.385 0.000 . 1 . . . . 324 K CA . 16729 1 1277 . 1 1 324 324 LYS CB C 13 62.365 0.000 . 1 . . . . 324 K CB . 16729 1 1278 . 1 1 324 324 LYS N N 15 117.482 0.000 . 1 . . . . 324 K N . 16729 1 1279 . 1 1 325 325 VAL H H 1 8.074 0.000 . 1 . . . . 325 V HN . 16729 1 1280 . 1 1 325 325 VAL C C 13 176.591 0.000 . 1 . . . . 325 V C . 16729 1 1281 . 1 1 325 325 VAL CA C 13 67.079 0.000 . 1 . . . . 325 V CA . 16729 1 1282 . 1 1 325 325 VAL CB C 13 67.939 0.000 . 1 . . . . 325 V CB . 16729 1 1283 . 1 1 325 325 VAL N N 15 120.418 0.000 . 1 . . . . 325 V N . 16729 1 1284 . 1 1 326 326 LEU H H 1 8.386 0.000 . 1 . . . . 326 L HN . 16729 1 1285 . 1 1 326 326 LEU C C 13 177.609 0.000 . 1 . . . . 326 L C . 16729 1 1286 . 1 1 326 326 LEU CA C 13 65.099 0.000 . 1 . . . . 326 L CA . 16729 1 1287 . 1 1 326 326 LEU CB C 13 36.694 0.000 . 1 . . . . 326 L CB . 16729 1 1288 . 1 1 326 326 LEU N N 15 122.876 0.000 . 1 . . . . 326 L N . 16729 1 1289 . 1 1 327 327 SER H H 1 8.486 0.000 . 1 . . . . 327 S HN . 16729 1 1290 . 1 1 327 327 SER CA C 13 62.196 0.000 . 1 . . . . 327 S CA . 16729 1 1291 . 1 1 327 327 SER N N 15 115.717 0.000 . 1 . . . . 327 S N . 16729 1 1292 . 1 1 329 329 THR C C 13 176.513 0.000 . 1 . . . . 329 T C . 16729 1 1293 . 1 1 330 330 ILE H H 1 8.352 0.000 . 1 . . . . 330 I HN . 16729 1 1294 . 1 1 330 330 ILE C C 13 178.026 0.000 . 1 . . . . 330 I C . 16729 1 1295 . 1 1 330 330 ILE CA C 13 57.351 0.000 . 1 . . . . 330 I CA . 16729 1 1296 . 1 1 330 330 ILE CB C 13 41.059 0.000 . 1 . . . . 330 I CB . 16729 1 1297 . 1 1 330 330 ILE N N 15 123.757 0.000 . 1 . . . . 330 I N . 16729 1 1298 . 1 1 331 331 SER H H 1 7.979 0.000 . 1 . . . . 331 S HN . 16729 1 1299 . 1 1 331 331 SER C C 13 179.580 0.000 . 1 . . . . 331 S C . 16729 1 1300 . 1 1 331 331 SER CA C 13 58.582 0.000 . 1 . . . . 331 S CA . 16729 1 1301 . 1 1 331 331 SER CB C 13 28.536 0.000 . 1 . . . . 331 S CB . 16729 1 1302 . 1 1 331 331 SER N N 15 119.365 0.000 . 1 . . . . 331 S N . 16729 1 1303 . 1 1 332 332 SER H H 1 8.070 0.000 . 1 . . . . 332 S HN . 16729 1 1304 . 1 1 332 332 SER C C 13 177.821 0.000 . 1 . . . . 332 S C . 16729 1 1305 . 1 1 332 332 SER CA C 13 65.101 0.000 . 1 . . . . 332 S CA . 16729 1 1306 . 1 1 332 332 SER CB C 13 68.433 0.000 . 1 . . . . 332 S CB . 16729 1 1307 . 1 1 332 332 SER N N 15 115.872 0.000 . 1 . . . . 332 S N . 16729 1 1308 . 1 1 333 333 SER H H 1 8.047 0.000 . 1 . . . . 333 S HN . 16729 1 1309 . 1 1 333 333 SER CA C 13 54.196 0.000 . 1 . . . . 333 S CA . 16729 1 1310 . 1 1 333 333 SER CB C 13 17.747 0.000 . 1 . . . . 333 S CB . 16729 1 1311 . 1 1 333 333 SER N N 15 125.206 0.000 . 1 . . . . 333 S N . 16729 1 1312 . 1 1 334 334 LEU H H 1 8.034 0.000 . 1 . . . . 334 L HN . 16729 1 1313 . 1 1 334 334 LEU C C 13 178.134 0.000 . 1 . . . . 334 L C . 16729 1 1314 . 1 1 334 334 LEU CA C 13 58.065 0.000 . 1 . . . . 334 L CA . 16729 1 1315 . 1 1 334 334 LEU CB C 13 31.677 0.000 . 1 . . . . 334 L CB . 16729 1 1316 . 1 1 334 334 LEU N N 15 117.461 0.000 . 1 . . . . 334 L N . 16729 1 1317 . 1 1 335 335 GLU H H 1 7.797 0.000 . 1 . . . . 335 E HN . 16729 1 1318 . 1 1 335 335 GLU C C 13 174.963 0.000 . 1 . . . . 335 E C . 16729 1 1319 . 1 1 335 335 GLU CA C 13 59.691 0.000 . 1 . . . . 335 E CA . 16729 1 1320 . 1 1 335 335 GLU CB C 13 63.132 0.000 . 1 . . . . 335 E CB . 16729 1 1321 . 1 1 335 335 GLU N N 15 115.511 0.000 . 1 . . . . 335 E N . 16729 1 1322 . 1 1 336 336 THR H H 1 7.643 0.000 . 1 . . . . 336 T HN . 16729 1 1323 . 1 1 336 336 THR C C 13 176.047 0.000 . 1 . . . . 336 T C . 16729 1 1324 . 1 1 336 336 THR CA C 13 58.156 0.000 . 1 . . . . 336 T CA . 16729 1 1325 . 1 1 336 336 THR CB C 13 38.623 0.000 . 1 . . . . 336 T CB . 16729 1 1326 . 1 1 336 336 THR N N 15 121.121 0.000 . 1 . . . . 336 T N . 16729 1 1327 . 1 1 337 337 ALA H H 1 7.738 0.000 . 1 . . . . 337 A HN . 16729 1 1328 . 1 1 337 337 ALA C C 13 177.048 0.000 . 1 . . . . 337 A C . 16729 1 1329 . 1 1 337 337 ALA CA C 13 54.924 0.000 . 1 . . . . 337 A CA . 16729 1 1330 . 1 1 337 337 ALA CB C 13 41.301 0.000 . 1 . . . . 337 A CB . 16729 1 1331 . 1 1 337 337 ALA N N 15 121.986 0.000 . 1 . . . . 337 A N . 16729 1 1332 . 1 1 338 338 LYS H H 1 64.423 0.000 . 1 . . . . 338 K HN . 16729 1 1333 . 1 1 338 338 LYS C C 13 175.398 0.000 . 1 . . . . 338 K C . 16729 1 1334 . 1 1 338 338 LYS CA C 13 55.457 0.000 . 1 . . . . 338 K CA . 16729 1 1335 . 1 1 338 338 LYS CB C 13 28.834 0.000 . 1 . . . . 338 K CB . 16729 1 1336 . 1 1 338 338 LYS N N 15 120.938 0.000 . 1 . . . . 338 K N . 16729 1 1337 . 1 1 339 339 SER H H 1 7.847 0.000 . 1 . . . . 339 S HN . 16729 1 1338 . 1 1 339 339 SER C C 13 178.938 0.000 . 1 . . . . 339 S C . 16729 1 1339 . 1 1 339 339 SER CA C 13 45.716 0.000 . 1 . . . . 339 S CA . 16729 1 1340 . 1 1 339 339 SER N N 15 116.578 0.000 . 1 . . . . 339 S N . 16729 1 stop_ save_