data_16035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16035 _Entry.Title ; Sequence-specific 1H, 13C and 15N backbone resonance assignments of BamC, a component of the outer membrane protein assembly machinery in Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-18 _Entry.Accession_date 2008-11-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Timothy Knowles . J. . 16035 2 Darren McClelland . M. . 16035 3 Sandya Rajesh . . . 16035 4 Ian Henderson . R. . 16035 5 Michael Overduin . . . 16035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 929 16035 '15N chemical shifts' 302 16035 '1H chemical shifts' 302 16035 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-11-12 2008-11-18 update BMRB 'complete entry citation' 16035 1 . . 2009-07-22 2008-11-18 original author 'original release' 16035 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16035 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-009-9175-3 _Citation.PubMed_ID 19888691 _Citation.Full_citation . _Citation.Title 'Secondary structure and (1)H, (13)C and (15)N backbone resonance assignments of BamC, a component of the outer membrane protein assembly machinery in Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 203 _Citation.Page_last 206 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Timothy Knowles . J. . 16035 1 2 Darren McClelland . M. . 16035 1 3 Sandya Rajesh . . . 16035 1 4 Ian Henderson . R. . 16035 1 5 Michael Overduin . . . 16035 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BamC 16035 1 NlpB 16035 1 Omp85 16035 1 YaeT 16035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16035 _Assembly.ID 1 _Assembly.Name BamC _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 . _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 BamC 1 $BamC A . yes native no no . . . 16035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BamC _Entity.Sf_category entity _Entity.Sf_framecode BamC _Entity.Entry_ID 16035 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BamC _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 ; HMGSSDSRYKRQVSGDEAYL EAAPLAELHAPAGMILPVTS GDYAIPVTNGSGAVGKALDI RPPAQPLALVSGARTQFTGD TASLLVENGRGNTLWPQVVS VLQAKNYTITQRDDAGQTLT TDWVQWNRLDEDEQYRGRYQ ISVKPQGYQQAVTVKLLNLE QAGKPVADAASMQRYSTEMM NVISAGLDKSATDAANAAQN RASTTMDVQSAADDTGLPML VVRGPFNVVWQRLPAALEKV GMKVTDSTRSQGNMAVTYKP LSDSDWQELGASDPGLASGD YKLQVGDLDNRSSLQFIDPK GHTLTQSQNDALVAVFQAAF SK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This sequence represents the final processed E. coli BamC sequence lacking its N-terminal signal peptide and mutated (C26S) to remove its lipoprotein acylation site. The first three residues (HMG) are derived from the vector. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 322 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment BamC _Entity.Mutation C26S _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17521 . BamC . . . . . 75.78 249 100.00 100.00 4.38e-174 . . . . 16035 1 2 no PDB 2LAE . "Nmr Solution Structure Of The C-Terminal Domain Of The E. Coli Lipoprotein Bamc" . . . . . 75.78 246 100.00 100.00 2.74e-174 . . . . 16035 1 3 no PDB 2LAF . "Nmr Solution Structure Of The N-Terminal Domain Of The E. Coli Lipoprotein Bamc" . . . . . 75.78 246 100.00 100.00 2.74e-174 . . . . 16035 1 4 no PDB 3TGO . "Crystal Structure Of The E. Coli Bamcd Complex" . . . . . 100.00 323 99.69 99.69 0.00e+00 . . . . 16035 1 5 no DBJ BAA16354 . "lipoprotein [Escherichia coli str. K12 substr. W3110]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 6 no DBJ BAB36762 . "lipoprotein-34 [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.07 345 100.00 100.00 0.00e+00 . . . . 16035 1 7 no DBJ BAG78285 . "lipoprotein [Escherichia coli SE11]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 8 no DBJ BAI26723 . "lipoprotein NlpB [Escherichia coli O26:H11 str. 11368]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 9 no DBJ BAI31755 . "lipoprotein NlpB [Escherichia coli O103:H2 str. 12009]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 10 no EMBL CAA40661 . "lipoprotein-34 [Escherichia coli K-12]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 11 no EMBL CAP76938 . "Lipoprotein 34 [Escherichia coli LF82]" . . . . . 99.07 344 99.37 99.69 0.00e+00 . . . . 16035 1 12 no EMBL CAQ32848 . "BamC, subunit of Outer Membrane Protein Assembly Complex [Escherichia coli BL21(DE3)]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 13 no EMBL CAQ99368 . "lipoprotein [Escherichia coli IAI1]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 14 no EMBL CAR03928 . "lipoprotein [Escherichia coli S88]" . . . . . 99.07 344 99.37 99.69 0.00e+00 . . . . 16035 1 15 no GB AAC75530 . "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 16 no GB AAG57587 . "lipoprotein-34 [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.07 345 99.69 100.00 0.00e+00 . . . . 16035 1 17 no GB AAN44023 . "lipoprotein-34 [Shigella flexneri 2a str. 301]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 18 no GB AAN81455 . "Lipoprotein-34 precursor [Escherichia coli CFT073]" . . . . . 99.07 345 99.37 99.69 0.00e+00 . . . . 16035 1 19 no GB AAP17837 . "lipoprotein-34 [Shigella flexneri 2a str. 2457T]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 20 no REF NP_311366 . "lipoprotein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 21 no REF NP_416972 . "BamABCDE complex OM biogenesis lipoprotein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 22 no REF NP_708316 . "lipoprotein [Shigella flexneri 2a str. 301]" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 23 no REF WP_000968412 . "lipoprotein [Shigella dysenteriae]" . . . . . 99.07 345 99.69 99.69 0.00e+00 . . . . 16035 1 24 no REF WP_001295468 . "lipoprotein [Escherichia coli]" . . . . . 99.07 344 99.69 99.69 0.00e+00 . . . . 16035 1 25 no SP P0A903 . "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 26 no SP P0A904 . "RecName: Full=Outer membrane protein assembly factor BamC; Flags: Precursor" . . . . . 99.07 344 100.00 100.00 0.00e+00 . . . . 16035 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Outer membrane protein biogenesis' 16035 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 23 HIS . 16035 1 2 24 MET . 16035 1 3 25 GLY . 16035 1 4 26 SER . 16035 1 5 27 SER . 16035 1 6 28 ASP . 16035 1 7 29 SER . 16035 1 8 30 ARG . 16035 1 9 31 TYR . 16035 1 10 32 LYS . 16035 1 11 33 ARG . 16035 1 12 34 GLN . 16035 1 13 35 VAL . 16035 1 14 36 SER . 16035 1 15 37 GLY . 16035 1 16 38 ASP . 16035 1 17 39 GLU . 16035 1 18 40 ALA . 16035 1 19 41 TYR . 16035 1 20 42 LEU . 16035 1 21 43 GLU . 16035 1 22 44 ALA . 16035 1 23 45 ALA . 16035 1 24 46 PRO . 16035 1 25 47 LEU . 16035 1 26 48 ALA . 16035 1 27 49 GLU . 16035 1 28 50 LEU . 16035 1 29 51 HIS . 16035 1 30 52 ALA . 16035 1 31 53 PRO . 16035 1 32 54 ALA . 16035 1 33 55 GLY . 16035 1 34 56 MET . 16035 1 35 57 ILE . 16035 1 36 58 LEU . 16035 1 37 59 PRO . 16035 1 38 60 VAL . 16035 1 39 61 THR . 16035 1 40 62 SER . 16035 1 41 63 GLY . 16035 1 42 64 ASP . 16035 1 43 65 TYR . 16035 1 44 66 ALA . 16035 1 45 67 ILE . 16035 1 46 68 PRO . 16035 1 47 69 VAL . 16035 1 48 70 THR . 16035 1 49 71 ASN . 16035 1 50 72 GLY . 16035 1 51 73 SER . 16035 1 52 74 GLY . 16035 1 53 75 ALA . 16035 1 54 76 VAL . 16035 1 55 77 GLY . 16035 1 56 78 LYS . 16035 1 57 79 ALA . 16035 1 58 80 LEU . 16035 1 59 81 ASP . 16035 1 60 82 ILE . 16035 1 61 83 ARG . 16035 1 62 84 PRO . 16035 1 63 85 PRO . 16035 1 64 86 ALA . 16035 1 65 87 GLN . 16035 1 66 88 PRO . 16035 1 67 89 LEU . 16035 1 68 90 ALA . 16035 1 69 91 LEU . 16035 1 70 92 VAL . 16035 1 71 93 SER . 16035 1 72 94 GLY . 16035 1 73 95 ALA . 16035 1 74 96 ARG . 16035 1 75 97 THR . 16035 1 76 98 GLN . 16035 1 77 99 PHE . 16035 1 78 100 THR . 16035 1 79 101 GLY . 16035 1 80 102 ASP . 16035 1 81 103 THR . 16035 1 82 104 ALA . 16035 1 83 105 SER . 16035 1 84 106 LEU . 16035 1 85 107 LEU . 16035 1 86 108 VAL . 16035 1 87 109 GLU . 16035 1 88 110 ASN . 16035 1 89 111 GLY . 16035 1 90 112 ARG . 16035 1 91 113 GLY . 16035 1 92 114 ASN . 16035 1 93 115 THR . 16035 1 94 116 LEU . 16035 1 95 117 TRP . 16035 1 96 118 PRO . 16035 1 97 119 GLN . 16035 1 98 120 VAL . 16035 1 99 121 VAL . 16035 1 100 122 SER . 16035 1 101 123 VAL . 16035 1 102 124 LEU . 16035 1 103 125 GLN . 16035 1 104 126 ALA . 16035 1 105 127 LYS . 16035 1 106 128 ASN . 16035 1 107 129 TYR . 16035 1 108 130 THR . 16035 1 109 131 ILE . 16035 1 110 132 THR . 16035 1 111 133 GLN . 16035 1 112 134 ARG . 16035 1 113 135 ASP . 16035 1 114 136 ASP . 16035 1 115 137 ALA . 16035 1 116 138 GLY . 16035 1 117 139 GLN . 16035 1 118 140 THR . 16035 1 119 141 LEU . 16035 1 120 142 THR . 16035 1 121 143 THR . 16035 1 122 144 ASP . 16035 1 123 145 TRP . 16035 1 124 146 VAL . 16035 1 125 147 GLN . 16035 1 126 148 TRP . 16035 1 127 149 ASN . 16035 1 128 150 ARG . 16035 1 129 151 LEU . 16035 1 130 152 ASP . 16035 1 131 153 GLU . 16035 1 132 154 ASP . 16035 1 133 155 GLU . 16035 1 134 156 GLN . 16035 1 135 157 TYR . 16035 1 136 158 ARG . 16035 1 137 159 GLY . 16035 1 138 160 ARG . 16035 1 139 161 TYR . 16035 1 140 162 GLN . 16035 1 141 163 ILE . 16035 1 142 164 SER . 16035 1 143 165 VAL . 16035 1 144 166 LYS . 16035 1 145 167 PRO . 16035 1 146 168 GLN . 16035 1 147 169 GLY . 16035 1 148 170 TYR . 16035 1 149 171 GLN . 16035 1 150 172 GLN . 16035 1 151 173 ALA . 16035 1 152 174 VAL . 16035 1 153 175 THR . 16035 1 154 176 VAL . 16035 1 155 177 LYS . 16035 1 156 178 LEU . 16035 1 157 179 LEU . 16035 1 158 180 ASN . 16035 1 159 181 LEU . 16035 1 160 182 GLU . 16035 1 161 183 GLN . 16035 1 162 184 ALA . 16035 1 163 185 GLY . 16035 1 164 186 LYS . 16035 1 165 187 PRO . 16035 1 166 188 VAL . 16035 1 167 189 ALA . 16035 1 168 190 ASP . 16035 1 169 191 ALA . 16035 1 170 192 ALA . 16035 1 171 193 SER . 16035 1 172 194 MET . 16035 1 173 195 GLN . 16035 1 174 196 ARG . 16035 1 175 197 TYR . 16035 1 176 198 SER . 16035 1 177 199 THR . 16035 1 178 200 GLU . 16035 1 179 201 MET . 16035 1 180 202 MET . 16035 1 181 203 ASN . 16035 1 182 204 VAL . 16035 1 183 205 ILE . 16035 1 184 206 SER . 16035 1 185 207 ALA . 16035 1 186 208 GLY . 16035 1 187 209 LEU . 16035 1 188 210 ASP . 16035 1 189 211 LYS . 16035 1 190 212 SER . 16035 1 191 213 ALA . 16035 1 192 214 THR . 16035 1 193 215 ASP . 16035 1 194 216 ALA . 16035 1 195 217 ALA . 16035 1 196 218 ASN . 16035 1 197 219 ALA . 16035 1 198 220 ALA . 16035 1 199 221 GLN . 16035 1 200 222 ASN . 16035 1 201 223 ARG . 16035 1 202 224 ALA . 16035 1 203 225 SER . 16035 1 204 226 THR . 16035 1 205 227 THR . 16035 1 206 228 MET . 16035 1 207 229 ASP . 16035 1 208 230 VAL . 16035 1 209 231 GLN . 16035 1 210 232 SER . 16035 1 211 233 ALA . 16035 1 212 234 ALA . 16035 1 213 235 ASP . 16035 1 214 236 ASP . 16035 1 215 237 THR . 16035 1 216 238 GLY . 16035 1 217 239 LEU . 16035 1 218 240 PRO . 16035 1 219 241 MET . 16035 1 220 242 LEU . 16035 1 221 243 VAL . 16035 1 222 244 VAL . 16035 1 223 245 ARG . 16035 1 224 246 GLY . 16035 1 225 247 PRO . 16035 1 226 248 PHE . 16035 1 227 249 ASN . 16035 1 228 250 VAL . 16035 1 229 251 VAL . 16035 1 230 252 TRP . 16035 1 231 253 GLN . 16035 1 232 254 ARG . 16035 1 233 255 LEU . 16035 1 234 256 PRO . 16035 1 235 257 ALA . 16035 1 236 258 ALA . 16035 1 237 259 LEU . 16035 1 238 260 GLU . 16035 1 239 261 LYS . 16035 1 240 262 VAL . 16035 1 241 263 GLY . 16035 1 242 264 MET . 16035 1 243 265 LYS . 16035 1 244 266 VAL . 16035 1 245 267 THR . 16035 1 246 268 ASP . 16035 1 247 269 SER . 16035 1 248 270 THR . 16035 1 249 271 ARG . 16035 1 250 272 SER . 16035 1 251 273 GLN . 16035 1 252 274 GLY . 16035 1 253 275 ASN . 16035 1 254 276 MET . 16035 1 255 277 ALA . 16035 1 256 278 VAL . 16035 1 257 279 THR . 16035 1 258 280 TYR . 16035 1 259 281 LYS . 16035 1 260 282 PRO . 16035 1 261 283 LEU . 16035 1 262 284 SER . 16035 1 263 285 ASP . 16035 1 264 286 SER . 16035 1 265 287 ASP . 16035 1 266 288 TRP . 16035 1 267 289 GLN . 16035 1 268 290 GLU . 16035 1 269 291 LEU . 16035 1 270 292 GLY . 16035 1 271 293 ALA . 16035 1 272 294 SER . 16035 1 273 295 ASP . 16035 1 274 296 PRO . 16035 1 275 297 GLY . 16035 1 276 298 LEU . 16035 1 277 299 ALA . 16035 1 278 300 SER . 16035 1 279 301 GLY . 16035 1 280 302 ASP . 16035 1 281 303 TYR . 16035 1 282 304 LYS . 16035 1 283 305 LEU . 16035 1 284 306 GLN . 16035 1 285 307 VAL . 16035 1 286 308 GLY . 16035 1 287 309 ASP . 16035 1 288 310 LEU . 16035 1 289 311 ASP . 16035 1 290 312 ASN . 16035 1 291 313 ARG . 16035 1 292 314 SER . 16035 1 293 315 SER . 16035 1 294 316 LEU . 16035 1 295 317 GLN . 16035 1 296 318 PHE . 16035 1 297 319 ILE . 16035 1 298 320 ASP . 16035 1 299 321 PRO . 16035 1 300 322 LYS . 16035 1 301 323 GLY . 16035 1 302 324 HIS . 16035 1 303 325 THR . 16035 1 304 326 LEU . 16035 1 305 327 THR . 16035 1 306 328 GLN . 16035 1 307 329 SER . 16035 1 308 330 GLN . 16035 1 309 331 ASN . 16035 1 310 332 ASP . 16035 1 311 333 ALA . 16035 1 312 334 LEU . 16035 1 313 335 VAL . 16035 1 314 336 ALA . 16035 1 315 337 VAL . 16035 1 316 338 PHE . 16035 1 317 339 GLN . 16035 1 318 340 ALA . 16035 1 319 341 ALA . 16035 1 320 342 PHE . 16035 1 321 343 SER . 16035 1 322 344 LYS . 16035 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 . HIS 1 1 16035 1 . MET 2 2 16035 1 . GLY 3 3 16035 1 . SER 4 4 16035 1 . SER 5 5 16035 1 . ASP 6 6 16035 1 . SER 7 7 16035 1 . ARG 8 8 16035 1 . TYR 9 9 16035 1 . LYS 10 10 16035 1 . ARG 11 11 16035 1 . GLN 12 12 16035 1 . VAL 13 13 16035 1 . SER 14 14 16035 1 . GLY 15 15 16035 1 . ASP 16 16 16035 1 . GLU 17 17 16035 1 . ALA 18 18 16035 1 . TYR 19 19 16035 1 . LEU 20 20 16035 1 . GLU 21 21 16035 1 . ALA 22 22 16035 1 . ALA 23 23 16035 1 . PRO 24 24 16035 1 . LEU 25 25 16035 1 . ALA 26 26 16035 1 . GLU 27 27 16035 1 . LEU 28 28 16035 1 . HIS 29 29 16035 1 . ALA 30 30 16035 1 . PRO 31 31 16035 1 . ALA 32 32 16035 1 . GLY 33 33 16035 1 . MET 34 34 16035 1 . ILE 35 35 16035 1 . LEU 36 36 16035 1 . PRO 37 37 16035 1 . VAL 38 38 16035 1 . THR 39 39 16035 1 . SER 40 40 16035 1 . GLY 41 41 16035 1 . ASP 42 42 16035 1 . TYR 43 43 16035 1 . ALA 44 44 16035 1 . ILE 45 45 16035 1 . PRO 46 46 16035 1 . VAL 47 47 16035 1 . THR 48 48 16035 1 . ASN 49 49 16035 1 . GLY 50 50 16035 1 . SER 51 51 16035 1 . GLY 52 52 16035 1 . ALA 53 53 16035 1 . VAL 54 54 16035 1 . GLY 55 55 16035 1 . LYS 56 56 16035 1 . ALA 57 57 16035 1 . LEU 58 58 16035 1 . ASP 59 59 16035 1 . ILE 60 60 16035 1 . ARG 61 61 16035 1 . PRO 62 62 16035 1 . PRO 63 63 16035 1 . ALA 64 64 16035 1 . GLN 65 65 16035 1 . PRO 66 66 16035 1 . LEU 67 67 16035 1 . ALA 68 68 16035 1 . LEU 69 69 16035 1 . VAL 70 70 16035 1 . SER 71 71 16035 1 . GLY 72 72 16035 1 . ALA 73 73 16035 1 . ARG 74 74 16035 1 . THR 75 75 16035 1 . GLN 76 76 16035 1 . PHE 77 77 16035 1 . THR 78 78 16035 1 . GLY 79 79 16035 1 . ASP 80 80 16035 1 . THR 81 81 16035 1 . ALA 82 82 16035 1 . SER 83 83 16035 1 . LEU 84 84 16035 1 . LEU 85 85 16035 1 . VAL 86 86 16035 1 . GLU 87 87 16035 1 . ASN 88 88 16035 1 . GLY 89 89 16035 1 . ARG 90 90 16035 1 . GLY 91 91 16035 1 . ASN 92 92 16035 1 . THR 93 93 16035 1 . LEU 94 94 16035 1 . TRP 95 95 16035 1 . PRO 96 96 16035 1 . GLN 97 97 16035 1 . VAL 98 98 16035 1 . VAL 99 99 16035 1 . SER 100 100 16035 1 . VAL 101 101 16035 1 . LEU 102 102 16035 1 . GLN 103 103 16035 1 . ALA 104 104 16035 1 . LYS 105 105 16035 1 . ASN 106 106 16035 1 . TYR 107 107 16035 1 . THR 108 108 16035 1 . ILE 109 109 16035 1 . THR 110 110 16035 1 . GLN 111 111 16035 1 . ARG 112 112 16035 1 . ASP 113 113 16035 1 . ASP 114 114 16035 1 . ALA 115 115 16035 1 . GLY 116 116 16035 1 . GLN 117 117 16035 1 . THR 118 118 16035 1 . LEU 119 119 16035 1 . THR 120 120 16035 1 . THR 121 121 16035 1 . ASP 122 122 16035 1 . TRP 123 123 16035 1 . VAL 124 124 16035 1 . GLN 125 125 16035 1 . TRP 126 126 16035 1 . ASN 127 127 16035 1 . ARG 128 128 16035 1 . LEU 129 129 16035 1 . ASP 130 130 16035 1 . GLU 131 131 16035 1 . ASP 132 132 16035 1 . GLU 133 133 16035 1 . GLN 134 134 16035 1 . TYR 135 135 16035 1 . ARG 136 136 16035 1 . GLY 137 137 16035 1 . ARG 138 138 16035 1 . TYR 139 139 16035 1 . GLN 140 140 16035 1 . ILE 141 141 16035 1 . SER 142 142 16035 1 . VAL 143 143 16035 1 . LYS 144 144 16035 1 . PRO 145 145 16035 1 . GLN 146 146 16035 1 . GLY 147 147 16035 1 . TYR 148 148 16035 1 . GLN 149 149 16035 1 . GLN 150 150 16035 1 . ALA 151 151 16035 1 . VAL 152 152 16035 1 . THR 153 153 16035 1 . VAL 154 154 16035 1 . LYS 155 155 16035 1 . LEU 156 156 16035 1 . LEU 157 157 16035 1 . ASN 158 158 16035 1 . LEU 159 159 16035 1 . GLU 160 160 16035 1 . GLN 161 161 16035 1 . ALA 162 162 16035 1 . GLY 163 163 16035 1 . LYS 164 164 16035 1 . PRO 165 165 16035 1 . VAL 166 166 16035 1 . ALA 167 167 16035 1 . ASP 168 168 16035 1 . ALA 169 169 16035 1 . ALA 170 170 16035 1 . SER 171 171 16035 1 . MET 172 172 16035 1 . GLN 173 173 16035 1 . ARG 174 174 16035 1 . TYR 175 175 16035 1 . SER 176 176 16035 1 . THR 177 177 16035 1 . GLU 178 178 16035 1 . MET 179 179 16035 1 . MET 180 180 16035 1 . ASN 181 181 16035 1 . VAL 182 182 16035 1 . ILE 183 183 16035 1 . SER 184 184 16035 1 . ALA 185 185 16035 1 . GLY 186 186 16035 1 . LEU 187 187 16035 1 . ASP 188 188 16035 1 . LYS 189 189 16035 1 . SER 190 190 16035 1 . ALA 191 191 16035 1 . THR 192 192 16035 1 . ASP 193 193 16035 1 . ALA 194 194 16035 1 . ALA 195 195 16035 1 . ASN 196 196 16035 1 . ALA 197 197 16035 1 . ALA 198 198 16035 1 . GLN 199 199 16035 1 . ASN 200 200 16035 1 . ARG 201 201 16035 1 . ALA 202 202 16035 1 . SER 203 203 16035 1 . THR 204 204 16035 1 . THR 205 205 16035 1 . MET 206 206 16035 1 . ASP 207 207 16035 1 . VAL 208 208 16035 1 . GLN 209 209 16035 1 . SER 210 210 16035 1 . ALA 211 211 16035 1 . ALA 212 212 16035 1 . ASP 213 213 16035 1 . ASP 214 214 16035 1 . THR 215 215 16035 1 . GLY 216 216 16035 1 . LEU 217 217 16035 1 . PRO 218 218 16035 1 . MET 219 219 16035 1 . LEU 220 220 16035 1 . VAL 221 221 16035 1 . VAL 222 222 16035 1 . ARG 223 223 16035 1 . GLY 224 224 16035 1 . PRO 225 225 16035 1 . PHE 226 226 16035 1 . ASN 227 227 16035 1 . VAL 228 228 16035 1 . VAL 229 229 16035 1 . TRP 230 230 16035 1 . GLN 231 231 16035 1 . ARG 232 232 16035 1 . LEU 233 233 16035 1 . PRO 234 234 16035 1 . ALA 235 235 16035 1 . ALA 236 236 16035 1 . LEU 237 237 16035 1 . GLU 238 238 16035 1 . LYS 239 239 16035 1 . VAL 240 240 16035 1 . GLY 241 241 16035 1 . MET 242 242 16035 1 . LYS 243 243 16035 1 . VAL 244 244 16035 1 . THR 245 245 16035 1 . ASP 246 246 16035 1 . SER 247 247 16035 1 . THR 248 248 16035 1 . ARG 249 249 16035 1 . SER 250 250 16035 1 . GLN 251 251 16035 1 . GLY 252 252 16035 1 . ASN 253 253 16035 1 . MET 254 254 16035 1 . ALA 255 255 16035 1 . VAL 256 256 16035 1 . THR 257 257 16035 1 . TYR 258 258 16035 1 . LYS 259 259 16035 1 . PRO 260 260 16035 1 . LEU 261 261 16035 1 . SER 262 262 16035 1 . ASP 263 263 16035 1 . SER 264 264 16035 1 . ASP 265 265 16035 1 . TRP 266 266 16035 1 . GLN 267 267 16035 1 . GLU 268 268 16035 1 . LEU 269 269 16035 1 . GLY 270 270 16035 1 . ALA 271 271 16035 1 . SER 272 272 16035 1 . ASP 273 273 16035 1 . PRO 274 274 16035 1 . GLY 275 275 16035 1 . LEU 276 276 16035 1 . ALA 277 277 16035 1 . SER 278 278 16035 1 . GLY 279 279 16035 1 . ASP 280 280 16035 1 . TYR 281 281 16035 1 . LYS 282 282 16035 1 . LEU 283 283 16035 1 . GLN 284 284 16035 1 . VAL 285 285 16035 1 . GLY 286 286 16035 1 . ASP 287 287 16035 1 . LEU 288 288 16035 1 . ASP 289 289 16035 1 . ASN 290 290 16035 1 . ARG 291 291 16035 1 . SER 292 292 16035 1 . SER 293 293 16035 1 . LEU 294 294 16035 1 . GLN 295 295 16035 1 . PHE 296 296 16035 1 . ILE 297 297 16035 1 . ASP 298 298 16035 1 . PRO 299 299 16035 1 . LYS 300 300 16035 1 . GLY 301 301 16035 1 . HIS 302 302 16035 1 . THR 303 303 16035 1 . LEU 304 304 16035 1 . THR 305 305 16035 1 . GLN 306 306 16035 1 . SER 307 307 16035 1 . GLN 308 308 16035 1 . ASN 309 309 16035 1 . ASP 310 310 16035 1 . ALA 311 311 16035 1 . LEU 312 312 16035 1 . VAL 313 313 16035 1 . ALA 314 314 16035 1 . VAL 315 315 16035 1 . PHE 316 316 16035 1 . GLN 317 317 16035 1 . ALA 318 318 16035 1 . ALA 319 319 16035 1 . PHE 320 320 16035 1 . SER 321 321 16035 1 . LYS 322 322 16035 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 16035 _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 $BamC . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . NlpB . . . . 16035 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 16035 _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 $BamC . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16035 _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 BamC '[U-13C; U-15N; U-2H]' . . 1 $BamC . . 1 . . mM . . . . 16035 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16035 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16035 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16035 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 16035 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 16035 1 pressure 1 . atm 16035 1 temperature 303 . K 16035 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16035 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16035 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16035 1 'data analysis' 16035 1 'peak picking' 16035 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16035 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 16035 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 16035 _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 TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 2 '3D TROSY HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 3 '3D TROSY HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 4 '3D TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 5 '3D TROSY HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 6 '3D TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 1 7 '3D TROSY HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16035 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 16035 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16035 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16035 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16035 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 16035 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.13 _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 'Calculated from the spectrum resolution' _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 TROSY HSQC' . . . 16035 1 2 '3D TROSY HNCA' . . . 16035 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide nitrogens' 15 -0.63 0.01 16035 1 'TROSY offset' 'amide protons' 1 0.056 0.004 16035 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16035 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 4 4 SER C C 13 175.104 0.013 . 1 . . . . 26 S C . 16035 1 2 . 1 1 4 4 SER CA C 13 58.084 0.25 . 1 . . . . 26 S CA . 16035 1 3 . 1 1 4 4 SER CB C 13 63.455 0.25 . 1 . . . . 26 S CB . 16035 1 4 . 1 1 5 5 SER H H 1 8.523 0.001 . 1 . . . . 27 S H . 16035 1 5 . 1 1 5 5 SER C C 13 174.452 0.008 . 1 . . . . 27 S C . 16035 1 6 . 1 1 5 5 SER CA C 13 58.444 0.062 . 1 . . . . 27 S CA . 16035 1 7 . 1 1 5 5 SER CB C 13 63.528 0.057 . 1 . . . . 27 S CB . 16035 1 8 . 1 1 5 5 SER N N 15 117.679 0.031 . 1 . . . . 27 S N . 16035 1 9 . 1 1 6 6 ASP H H 1 8.321 0.001 . 1 . . . . 28 D H . 16035 1 10 . 1 1 6 6 ASP C C 13 176.777 0.002 . 1 . . . . 28 D C . 16035 1 11 . 1 1 6 6 ASP CA C 13 54.223 0.026 . 1 . . . . 28 D CA . 16035 1 12 . 1 1 6 6 ASP CB C 13 40.978 0.062 . 1 . . . . 28 D CB . 16035 1 13 . 1 1 6 6 ASP N N 15 122.102 0.041 . 1 . . . . 28 D N . 16035 1 14 . 1 1 7 7 SER H H 1 8.345 0.006 . 1 . . . . 29 S H . 16035 1 15 . 1 1 7 7 SER C C 13 175.175 0.005 . 1 . . . . 29 S C . 16035 1 16 . 1 1 7 7 SER CA C 13 58.852 0.040 . 1 . . . . 29 S CA . 16035 1 17 . 1 1 7 7 SER CB C 13 63.186 0.030 . 1 . . . . 29 S CB . 16035 1 18 . 1 1 7 7 SER N N 15 117.072 0.018 . 1 . . . . 29 S N . 16035 1 19 . 1 1 8 8 ARG H H 1 8.32 0.001 . 1 . . . . 30 R H . 16035 1 20 . 1 1 8 8 ARG C C 13 176.511 0.007 . 1 . . . . 30 R C . 16035 1 21 . 1 1 8 8 ARG CA C 13 56.746 0.033 . 1 . . . . 30 R CA . 16035 1 22 . 1 1 8 8 ARG CB C 13 29.501 0.041 . 1 . . . . 30 R CB . 16035 1 23 . 1 1 8 8 ARG N N 15 121.92 0.027 . 1 . . . . 30 R N . 16035 1 24 . 1 1 9 9 TYR H H 1 7.958 0.001 . 1 . . . . 31 Y H . 16035 1 25 . 1 1 9 9 TYR C C 13 175.686 0.007 . 1 . . . . 31 Y C . 16035 1 26 . 1 1 9 9 TYR CA C 13 57.544 0.045 . 1 . . . . 31 Y CA . 16035 1 27 . 1 1 9 9 TYR CB C 13 38.035 0.052 . 1 . . . . 31 Y CB . 16035 1 28 . 1 1 9 9 TYR N N 15 119.116 0.008 . 1 . . . . 31 Y N . 16035 1 29 . 1 1 10 10 LYS H H 1 7.993 0.006 . 1 . . . . 32 K H . 16035 1 30 . 1 1 10 10 LYS C C 13 176.147 0.006 . 1 . . . . 32 K C . 16035 1 31 . 1 1 10 10 LYS CA C 13 55.879 0.045 . 1 . . . . 32 K CA . 16035 1 32 . 1 1 10 10 LYS CB C 13 32.284 0.064 . 1 . . . . 32 K CB . 16035 1 33 . 1 1 10 10 LYS N N 15 122.407 0.012 . 1 . . . . 32 K N . 16035 1 34 . 1 1 11 11 ARG H H 1 8.236 0.001 . 1 . . . . 33 R H . 16035 1 35 . 1 1 11 11 ARG C C 13 176.211 0.016 . 1 . . . . 33 R C . 16035 1 36 . 1 1 11 11 ARG CA C 13 55.847 0.055 . 1 . . . . 33 R CA . 16035 1 37 . 1 1 11 11 ARG CB C 13 30.029 0.037 . 1 . . . . 33 R CB . 16035 1 38 . 1 1 11 11 ARG N N 15 121.979 0.015 . 1 . . . . 33 R N . 16035 1 39 . 1 1 12 12 GLN H H 1 8.46 0.001 . 1 . . . . 34 Q H . 16035 1 40 . 1 1 12 12 GLN C C 13 175.976 0.008 . 1 . . . . 34 Q C . 16035 1 41 . 1 1 12 12 GLN CA C 13 55.568 0.034 . 1 . . . . 34 Q CA . 16035 1 42 . 1 1 12 12 GLN CB C 13 28.814 0.047 . 1 . . . . 34 Q CB . 16035 1 43 . 1 1 12 12 GLN N N 15 121.969 0.004 . 1 . . . . 34 Q N . 16035 1 44 . 1 1 13 13 VAL H H 1 8.235 0.001 . 1 . . . . 35 V H . 16035 1 45 . 1 1 13 13 VAL C C 13 176.163 0.009 . 1 . . . . 35 V C . 16035 1 46 . 1 1 13 13 VAL CA C 13 61.741 0.017 . 1 . . . . 35 V CA . 16035 1 47 . 1 1 13 13 VAL CB C 13 32.252 0.042 . 1 . . . . 35 V CB . 16035 1 48 . 1 1 13 13 VAL N N 15 120.8 0.017 . 1 . . . . 35 V N . 16035 1 49 . 1 1 14 14 SER H H 1 8.457 0.006 . 1 . . . . 36 S H . 16035 1 50 . 1 1 14 14 SER C C 13 175.066 0.011 . 1 . . . . 36 S C . 16035 1 51 . 1 1 14 14 SER CA C 13 58.128 0.047 . 1 . . . . 36 S CA . 16035 1 52 . 1 1 14 14 SER CB C 13 63.714 0.057 . 1 . . . . 36 S CB . 16035 1 53 . 1 1 14 14 SER N N 15 118.684 0.011 . 1 . . . . 36 S N . 16035 1 54 . 1 1 15 15 GLY H H 1 8.51 0.001 . 1 . . . . 37 G H . 16035 1 55 . 1 1 15 15 GLY C C 13 174.167 0.012 . 1 . . . . 37 G C . 16035 1 56 . 1 1 15 15 GLY CA C 13 45.214 0.088 . 1 . . . . 37 G CA . 16035 1 57 . 1 1 15 15 GLY N N 15 110.945 0.019 . 1 . . . . 37 G N . 16035 1 58 . 1 1 16 16 ASP H H 1 8.29 0.001 . 1 . . . . 38 D H . 16035 1 59 . 1 1 16 16 ASP C C 13 176.667 0.010 . 1 . . . . 38 D C . 16035 1 60 . 1 1 16 16 ASP CA C 13 54.329 0.092 . 1 . . . . 38 D CA . 16035 1 61 . 1 1 16 16 ASP CB C 13 40.784 0.080 . 1 . . . . 38 D CB . 16035 1 62 . 1 1 16 16 ASP N N 15 120.363 0.010 . 1 . . . . 38 D N . 16035 1 63 . 1 1 17 17 GLU H H 1 8.452 0.006 . 1 . . . . 39 E H . 16035 1 64 . 1 1 17 17 GLU C C 13 176.506 0.006 . 1 . . . . 39 E C . 16035 1 65 . 1 1 17 17 GLU CA C 13 56.776 0.033 . 1 . . . . 39 E CA . 16035 1 66 . 1 1 17 17 GLU CB C 13 29.235 0.061 . 1 . . . . 39 E CB . 16035 1 67 . 1 1 17 17 GLU N N 15 120.701 0.009 . 1 . . . . 39 E N . 16035 1 68 . 1 1 18 18 ALA H H 1 8.197 0.006 . 1 . . . . 40 A H . 16035 1 69 . 1 1 18 18 ALA C C 13 177.672 0.006 . 1 . . . . 40 A C . 16035 1 70 . 1 1 18 18 ALA CA C 13 52.515 0.033 . 1 . . . . 40 A CA . 16035 1 71 . 1 1 18 18 ALA CB C 13 18.409 0.060 . 1 . . . . 40 A CB . 16035 1 72 . 1 1 18 18 ALA N N 15 123.613 0.010 . 1 . . . . 40 A N . 16035 1 73 . 1 1 19 19 TYR H H 1 7.986 0.006 . 1 . . . . 41 Y H . 16035 1 74 . 1 1 19 19 TYR C C 13 175.67 0.007 . 1 . . . . 41 Y C . 16035 1 75 . 1 1 19 19 TYR CA C 13 57.629 0.016 . 1 . . . . 41 Y CA . 16035 1 76 . 1 1 19 19 TYR CB C 13 37.947 0.055 . 1 . . . . 41 Y CB . 16035 1 77 . 1 1 19 19 TYR N N 15 118.511 0.009 . 1 . . . . 41 Y N . 16035 1 78 . 1 1 20 20 LEU H H 1 7.917 0.006 . 1 . . . . 42 L H . 16035 1 79 . 1 1 20 20 LEU C C 13 177.011 0.007 . 1 . . . . 42 L C . 16035 1 80 . 1 1 20 20 LEU CA C 13 54.755 0.024 . 1 . . . . 42 L CA . 16035 1 81 . 1 1 20 20 LEU CB C 13 41.679 0.041 . 1 . . . . 42 L CB . 16035 1 82 . 1 1 20 20 LEU N N 15 123.499 0.011 . 1 . . . . 42 L N . 16035 1 83 . 1 1 21 21 GLU H H 1 8.172 0.002 . 1 . . . . 43 E H . 16035 1 84 . 1 1 21 21 GLU C C 13 175.969 0.006 . 1 . . . . 43 E C . 16035 1 85 . 1 1 21 21 GLU CA C 13 56.031 0.048 . 1 . . . . 43 E CA . 16035 1 86 . 1 1 21 21 GLU CB C 13 29.569 0.049 . 1 . . . . 43 E CB . 16035 1 87 . 1 1 21 21 GLU N N 15 121.219 0.009 . 1 . . . . 43 E N . 16035 1 88 . 1 1 22 22 ALA H H 1 8.152 0.001 . 1 . . . . 44 A H . 16035 1 89 . 1 1 22 22 ALA C C 13 177.023 0.007 . 1 . . . . 44 A C . 16035 1 90 . 1 1 22 22 ALA CA C 13 51.811 0.042 . 1 . . . . 44 A CA . 16035 1 91 . 1 1 22 22 ALA CB C 13 18.676 0.011 . 1 . . . . 44 A CB . 16035 1 92 . 1 1 22 22 ALA N N 15 124.574 0.009 . 1 . . . . 44 A N . 16035 1 93 . 1 1 23 23 ALA H H 1 8.203 0.001 . 1 . . . . 45 A H . 16035 1 94 . 1 1 23 23 ALA C C 13 175.589 0.25 . 1 . . . . 45 A C . 16035 1 95 . 1 1 23 23 ALA CA C 13 50.355 0.046 . 1 . . . . 45 A CA . 16035 1 96 . 1 1 23 23 ALA CB C 13 17.463 0.25 . 1 . . . . 45 A CB . 16035 1 97 . 1 1 23 23 ALA N N 15 124.417 0.009 . 1 . . . . 45 A N . 16035 1 98 . 1 1 24 24 PRO C C 13 177.132 0.002 . 1 . . . . 46 P C . 16035 1 99 . 1 1 24 24 PRO CA C 13 62.678 0.057 . 1 . . . . 46 P CA . 16035 1 100 . 1 1 24 24 PRO CB C 13 31.127 0.002 . 1 . . . . 46 P CB . 16035 1 101 . 1 1 25 25 LEU H H 1 8.254 0.001 . 1 . . . . 47 L H . 16035 1 102 . 1 1 25 25 LEU C C 13 177.462 0.007 . 1 . . . . 47 L C . 16035 1 103 . 1 1 25 25 LEU CA C 13 55.03 0.054 . 1 . . . . 47 L CA . 16035 1 104 . 1 1 25 25 LEU CB C 13 41.312 0.057 . 1 . . . . 47 L CB . 16035 1 105 . 1 1 25 25 LEU N N 15 121.765 0.004 . 1 . . . . 47 L N . 16035 1 106 . 1 1 26 26 ALA H H 1 8.23 0.001 . 1 . . . . 48 A H . 16035 1 107 . 1 1 26 26 ALA C C 13 177.74 0.005 . 1 . . . . 48 A C . 16035 1 108 . 1 1 26 26 ALA CA C 13 52.354 0.035 . 1 . . . . 48 A CA . 16035 1 109 . 1 1 26 26 ALA CB C 13 18.6 0.022 . 1 . . . . 48 A CB . 16035 1 110 . 1 1 26 26 ALA N N 15 124.121 0.015 . 1 . . . . 48 A N . 16035 1 111 . 1 1 27 27 GLU H H 1 8.269 0.006 . 1 . . . . 49 E H . 16035 1 112 . 1 1 27 27 GLU C C 13 176.305 0.008 . 1 . . . . 49 E C . 16035 1 113 . 1 1 27 27 GLU CA C 13 56.029 0.048 . 1 . . . . 49 E CA . 16035 1 114 . 1 1 27 27 GLU CB C 13 29.567 0.043 . 1 . . . . 49 E CB . 16035 1 115 . 1 1 27 27 GLU N N 15 119.237 0.012 . 1 . . . . 49 E N . 16035 1 116 . 1 1 28 28 LEU H H 1 8.129 0.006 . 1 . . . . 50 L H . 16035 1 117 . 1 1 28 28 LEU C C 13 177.068 0.007 . 1 . . . . 50 L C . 16035 1 118 . 1 1 28 28 LEU CA C 13 54.978 0.073 . 1 . . . . 50 L CA . 16035 1 119 . 1 1 28 28 LEU CB C 13 41.469 0.048 . 1 . . . . 50 L CB . 16035 1 120 . 1 1 28 28 LEU N N 15 122.669 0.007 . 1 . . . . 50 L N . 16035 1 121 . 1 1 29 29 HIS H H 1 8.402 0.001 . 1 . . . . 51 H H . 16035 1 122 . 1 1 29 29 HIS C C 13 173.918 0.005 . 1 . . . . 51 H C . 16035 1 123 . 1 1 29 29 HIS CA C 13 54.568 0.061 . 1 . . . . 51 H CA . 16035 1 124 . 1 1 29 29 HIS CB C 13 29.064 0.064 . 1 . . . . 51 H CB . 16035 1 125 . 1 1 29 29 HIS N N 15 118.922 0.014 . 1 . . . . 51 H N . 16035 1 126 . 1 1 30 30 ALA H H 1 8.313 0.006 . 1 . . . . 52 A H . 16035 1 127 . 1 1 30 30 ALA C C 13 175.451 0.25 . 1 . . . . 52 A C . 16035 1 128 . 1 1 30 30 ALA CA C 13 50.317 0.047 . 1 . . . . 52 A CA . 16035 1 129 . 1 1 30 30 ALA CB C 13 17.631 0.25 . 1 . . . . 52 A CB . 16035 1 130 . 1 1 30 30 ALA N N 15 126.149 0.010 . 1 . . . . 52 A N . 16035 1 131 . 1 1 31 31 PRO C C 13 176.822 0.003 . 1 . . . . 53 P C . 16035 1 132 . 1 1 31 31 PRO CA C 13 62.753 0.012 . 1 . . . . 53 P CA . 16035 1 133 . 1 1 31 31 PRO CB C 13 31.27 0.020 . 1 . . . . 53 P CB . 16035 1 134 . 1 1 32 32 ALA H H 1 8.424 0.002 . 1 . . . . 54 A H . 16035 1 135 . 1 1 32 32 ALA C C 13 178.426 0.006 . 1 . . . . 54 A C . 16035 1 136 . 1 1 32 32 ALA CA C 13 52.4 0.040 . 1 . . . . 54 A CA . 16035 1 137 . 1 1 32 32 ALA CB C 13 18.518 0.042 . 1 . . . . 54 A CB . 16035 1 138 . 1 1 32 32 ALA N N 15 123.883 0.014 . 1 . . . . 54 A N . 16035 1 139 . 1 1 33 33 GLY H H 1 8.37 0.001 . 1 . . . . 55 G H . 16035 1 140 . 1 1 33 33 GLY C C 13 173.962 0.009 . 1 . . . . 55 G C . 16035 1 141 . 1 1 33 33 GLY CA C 13 44.907 0.046 . 1 . . . . 55 G CA . 16035 1 142 . 1 1 33 33 GLY N N 15 107.727 0.018 . 1 . . . . 55 G N . 16035 1 143 . 1 1 34 34 MET H H 1 8.074 0.001 . 1 . . . . 56 M H . 16035 1 144 . 1 1 34 34 MET C C 13 175.723 0.007 . 1 . . . . 56 M C . 16035 1 145 . 1 1 34 34 MET CA C 13 55.22 0.064 . 1 . . . . 56 M CA . 16035 1 146 . 1 1 34 34 MET CB C 13 32.527 0.040 . 1 . . . . 56 M CB . 16035 1 147 . 1 1 34 34 MET N N 15 119.656 0.009 . 1 . . . . 56 M N . 16035 1 148 . 1 1 35 35 ILE H H 1 8.22 0.002 . 1 . . . . 57 I H . 16035 1 149 . 1 1 35 35 ILE C C 13 175.845 0.023 . 1 . . . . 57 I C . 16035 1 150 . 1 1 35 35 ILE CA C 13 60.482 0.064 . 1 . . . . 57 I CA . 16035 1 151 . 1 1 35 35 ILE CB C 13 37.742 0.086 . 1 . . . . 57 I CB . 16035 1 152 . 1 1 35 35 ILE N N 15 122.82 0.041 . 1 . . . . 57 I N . 16035 1 153 . 1 1 36 36 LEU H H 1 8.319 0.001 . 1 . . . . 58 L H . 16035 1 154 . 1 1 36 36 LEU C C 13 175.13 0.25 . 1 . . . . 58 L C . 16035 1 155 . 1 1 36 36 LEU CA C 13 52.493 0.024 . 1 . . . . 58 L CA . 16035 1 156 . 1 1 36 36 LEU CB C 13 41.002 0.25 . 1 . . . . 58 L CB . 16035 1 157 . 1 1 36 36 LEU N N 15 127.865 0.010 . 1 . . . . 58 L N . 16035 1 158 . 1 1 37 37 PRO C C 13 176.942 0.25 . 1 . . . . 59 P C . 16035 1 159 . 1 1 37 37 PRO CA C 13 62.512 0.024 . 1 . . . . 59 P CA . 16035 1 160 . 1 1 37 37 PRO CB C 13 31.226 0.25 . 1 . . . . 59 P CB . 16035 1 161 . 1 1 38 38 VAL H H 1 8.224 0.001 . 1 . . . . 60 V H . 16035 1 162 . 1 1 38 38 VAL C C 13 176.671 0.009 . 1 . . . . 60 V C . 16035 1 163 . 1 1 38 38 VAL CA C 13 61.954 0.032 . 1 . . . . 60 V CA . 16035 1 164 . 1 1 38 38 VAL CB C 13 32.052 0.062 . 1 . . . . 60 V CB . 16035 1 165 . 1 1 38 38 VAL N N 15 119.882 0.008 . 1 . . . . 60 V N . 16035 1 166 . 1 1 39 39 THR H H 1 8.233 0.001 . 1 . . . . 61 T H . 16035 1 167 . 1 1 39 39 THR C C 13 174.562 0.005 . 1 . . . . 61 T C . 16035 1 168 . 1 1 39 39 THR CA C 13 61.104 0.018 . 1 . . . . 61 T CA . 16035 1 169 . 1 1 39 39 THR CB C 13 69.486 0.013 . 1 . . . . 61 T CB . 16035 1 170 . 1 1 39 39 THR N N 15 116.836 0.005 . 1 . . . . 61 T N . 16035 1 171 . 1 1 40 40 SER H H 1 8.315 0.006 . 1 . . . . 62 S H . 16035 1 172 . 1 1 40 40 SER C C 13 174.987 0.008 . 1 . . . . 62 S C . 16035 1 173 . 1 1 40 40 SER CA C 13 58.169 0.035 . 1 . . . . 62 S CA . 16035 1 174 . 1 1 40 40 SER CB C 13 63.568 0.077 . 1 . . . . 62 S CB . 16035 1 175 . 1 1 40 40 SER N N 15 117.525 0.011 . 1 . . . . 62 S N . 16035 1 176 . 1 1 41 41 GLY H H 1 8.399 0.006 . 1 . . . . 63 G H . 16035 1 177 . 1 1 41 41 GLY C C 13 173.809 0.006 . 1 . . . . 63 G C . 16035 1 178 . 1 1 41 41 GLY CA C 13 45.023 0.050 . 1 . . . . 63 G CA . 16035 1 179 . 1 1 41 41 GLY N N 15 110.528 0.022 . 1 . . . . 63 G N . 16035 1 180 . 1 1 42 42 ASP H H 1 8.177 0.001 . 1 . . . . 64 D H . 16035 1 181 . 1 1 42 42 ASP C C 13 175.891 0.008 . 1 . . . . 64 D C . 16035 1 182 . 1 1 42 42 ASP CA C 13 54.113 0.022 . 1 . . . . 64 D CA . 16035 1 183 . 1 1 42 42 ASP CB C 13 40.632 0.052 . 1 . . . . 64 D CB . 16035 1 184 . 1 1 42 42 ASP N N 15 120.177 0.011 . 1 . . . . 64 D N . 16035 1 185 . 1 1 43 43 TYR H H 1 8.015 0.001 . 1 . . . . 65 Y H . 16035 1 186 . 1 1 43 43 TYR C C 13 175.223 0.006 . 1 . . . . 65 Y C . 16035 1 187 . 1 1 43 43 TYR CA C 13 57.292 0.048 . 1 . . . . 65 Y CA . 16035 1 188 . 1 1 43 43 TYR CB C 13 38.253 0.070 . 1 . . . . 65 Y CB . 16035 1 189 . 1 1 43 43 TYR N N 15 119.866 0.009 . 1 . . . . 65 Y N . 16035 1 190 . 1 1 44 44 ALA H H 1 8.06 0.006 . 1 . . . . 66 A H . 16035 1 191 . 1 1 44 44 ALA C C 13 176.927 0.007 . 1 . . . . 66 A C . 16035 1 192 . 1 1 44 44 ALA CA C 13 51.67 0.042 . 1 . . . . 66 A CA . 16035 1 193 . 1 1 44 44 ALA CB C 13 18.671 0.032 . 1 . . . . 66 A CB . 16035 1 194 . 1 1 44 44 ALA N N 15 125.34 0.010 . 1 . . . . 66 A N . 16035 1 195 . 1 1 45 45 ILE H H 1 8.006 0.001 . 1 . . . . 67 I H . 16035 1 196 . 1 1 45 45 ILE C C 13 174.792 0.25 . 1 . . . . 67 I C . 16035 1 197 . 1 1 45 45 ILE CA C 13 58.353 0.009 . 1 . . . . 67 I CA . 16035 1 198 . 1 1 45 45 ILE CB C 13 37.85 0.25 . 1 . . . . 67 I CB . 16035 1 199 . 1 1 45 45 ILE N N 15 121.673 0.008 . 1 . . . . 67 I N . 16035 1 200 . 1 1 46 46 PRO C C 13 176.913 0.004 . 1 . . . . 68 P C . 16035 1 201 . 1 1 46 46 PRO CA C 13 62.791 0.026 . 1 . . . . 68 P CA . 16035 1 202 . 1 1 46 46 PRO CB C 13 31.317 0.25 . 1 . . . . 68 P CB . 16035 1 203 . 1 1 47 47 VAL H H 1 8.26 0.001 . 1 . . . . 69 V H . 16035 1 204 . 1 1 47 47 VAL C C 13 176.676 0.003 . 1 . . . . 69 V C . 16035 1 205 . 1 1 47 47 VAL CA C 13 61.933 0.074 . 1 . . . . 69 V CA . 16035 1 206 . 1 1 47 47 VAL CB C 13 32.024 0.028 . 1 . . . . 69 V CB . 16035 1 207 . 1 1 47 47 VAL N N 15 120.377 0.012 . 1 . . . . 69 V N . 16035 1 208 . 1 1 48 48 THR H H 1 8.231 0.001 . 1 . . . . 70 T H . 16035 1 209 . 1 1 48 48 THR C C 13 174.376 0.004 . 1 . . . . 70 T C . 16035 1 210 . 1 1 48 48 THR CA C 13 61.144 0.019 . 1 . . . . 70 T CA . 16035 1 211 . 1 1 48 48 THR CB C 13 69.483 0.026 . 1 . . . . 70 T CB . 16035 1 212 . 1 1 48 48 THR N N 15 117.092 0.012 . 1 . . . . 70 T N . 16035 1 213 . 1 1 49 49 ASN H H 1 8.487 0.001 . 1 . . . . 71 N H . 16035 1 214 . 1 1 49 49 ASN C C 13 175.771 0.006 . 1 . . . . 71 N C . 16035 1 215 . 1 1 49 49 ASN CA C 13 53.045 0.046 . 1 . . . . 71 N CA . 16035 1 216 . 1 1 49 49 ASN CB C 13 38.537 0.033 . 1 . . . . 71 N CB . 16035 1 217 . 1 1 49 49 ASN N N 15 120.979 0.016 . 1 . . . . 71 N N . 16035 1 218 . 1 1 50 50 GLY H H 1 8.452 0.001 . 1 . . . . 72 G H . 16035 1 219 . 1 1 50 50 GLY C C 13 174.499 0.006 . 1 . . . . 72 G C . 16035 1 220 . 1 1 50 50 GLY CA C 13 45.13 0.063 . 1 . . . . 72 G CA . 16035 1 221 . 1 1 50 50 GLY N N 15 109.355 0.015 . 1 . . . . 72 G N . 16035 1 222 . 1 1 51 51 SER H H 1 8.305 0.001 . 1 . . . . 73 S H . 16035 1 223 . 1 1 51 51 SER C C 13 175.06 0.002 . 1 . . . . 73 S C . 16035 1 224 . 1 1 51 51 SER CA C 13 58.331 0.031 . 1 . . . . 73 S CA . 16035 1 225 . 1 1 51 51 SER CB C 13 63.487 0.093 . 1 . . . . 73 S CB . 16035 1 226 . 1 1 51 51 SER N N 15 115.548 0.030 . 1 . . . . 73 S N . 16035 1 227 . 1 1 52 52 GLY H H 1 8.449 0.002 . 1 . . . . 74 G H . 16035 1 228 . 1 1 52 52 GLY C C 13 173.867 0.018 . 1 . . . . 74 G C . 16035 1 229 . 1 1 52 52 GLY CA C 13 44.977 0.058 . 1 . . . . 74 G CA . 16035 1 230 . 1 1 52 52 GLY N N 15 110.205 0.078 . 1 . . . . 74 G N . 16035 1 231 . 1 1 53 53 ALA H H 1 8.126 0.001 . 1 . . . . 75 A H . 16035 1 232 . 1 1 53 53 ALA C C 13 177.835 0.008 . 1 . . . . 75 A C . 16035 1 233 . 1 1 53 53 ALA CA C 13 52.091 0.029 . 1 . . . . 75 A CA . 16035 1 234 . 1 1 53 53 ALA CB C 13 18.63 0.029 . 1 . . . . 75 A CB . 16035 1 235 . 1 1 53 53 ALA N N 15 123.641 0.013 . 1 . . . . 75 A N . 16035 1 236 . 1 1 54 54 VAL H H 1 8.104 0.006 . 1 . . . . 76 V H . 16035 1 237 . 1 1 54 54 VAL C C 13 176.89 0.011 . 1 . . . . 76 V C . 16035 1 238 . 1 1 54 54 VAL CA C 13 62.13 0.072 . 1 . . . . 76 V CA . 16035 1 239 . 1 1 54 54 VAL CB C 13 32.052 0.072 . 1 . . . . 76 V CB . 16035 1 240 . 1 1 54 54 VAL N N 15 118.941 0.009 . 1 . . . . 76 V N . 16035 1 241 . 1 1 55 55 GLY H H 1 8.442 0.001 . 1 . . . . 77 G H . 16035 1 242 . 1 1 55 55 GLY C C 13 174.028 0.001 . 1 . . . . 77 G C . 16035 1 243 . 1 1 55 55 GLY CA C 13 44.943 0.047 . 1 . . . . 77 G CA . 16035 1 244 . 1 1 55 55 GLY N N 15 111.985 0.014 . 1 . . . . 77 G N . 16035 1 245 . 1 1 56 56 LYS H H 1 8.126 0.001 . 1 . . . . 78 K H . 16035 1 246 . 1 1 56 56 LYS C C 13 176.333 0.009 . 1 . . . . 78 K C . 16035 1 247 . 1 1 56 56 LYS CA C 13 55.697 0.035 . 1 . . . . 78 K CA . 16035 1 248 . 1 1 56 56 LYS CB C 13 32.421 0.048 . 1 . . . . 78 K CB . 16035 1 249 . 1 1 56 56 LYS N N 15 120.944 0.009 . 1 . . . . 78 K N . 16035 1 250 . 1 1 57 57 ALA H H 1 8.322 0.001 . 1 . . . . 79 A H . 16035 1 251 . 1 1 57 57 ALA C C 13 177.616 0.006 . 1 . . . . 79 A C . 16035 1 252 . 1 1 57 57 ALA CA C 13 52.18 0.036 . 1 . . . . 79 A CA . 16035 1 253 . 1 1 57 57 ALA CB C 13 18.46 0.046 . 1 . . . . 79 A CB . 16035 1 254 . 1 1 57 57 ALA N N 15 125.05 0.010 . 1 . . . . 79 A N . 16035 1 255 . 1 1 58 58 LEU H H 1 8.188 0.001 . 1 . . . . 80 L H . 16035 1 256 . 1 1 58 58 LEU C C 13 177.033 0.007 . 1 . . . . 80 L C . 16035 1 257 . 1 1 58 58 LEU CA C 13 54.778 0.025 . 1 . . . . 80 L CA . 16035 1 258 . 1 1 58 58 LEU CB C 13 41.63 0.028 . 1 . . . . 80 L CB . 16035 1 259 . 1 1 58 58 LEU N N 15 120.932 0.005 . 1 . . . . 80 L N . 16035 1 260 . 1 1 59 59 ASP H H 1 8.301 0.001 . 1 . . . . 81 D H . 16035 1 261 . 1 1 59 59 ASP C C 13 175.842 0.008 . 1 . . . . 81 D C . 16035 1 262 . 1 1 59 59 ASP CA C 13 53.845 0.039 . 1 . . . . 81 D CA . 16035 1 263 . 1 1 59 59 ASP CB C 13 40.591 0.067 . 1 . . . . 81 D CB . 16035 1 264 . 1 1 59 59 ASP N N 15 121.148 0.022 . 1 . . . . 81 D N . 16035 1 265 . 1 1 60 60 ILE H H 1 7.974 0.001 . 1 . . . . 82 I H . 16035 1 266 . 1 1 60 60 ILE C C 13 176.061 0.012 . 1 . . . . 82 I C . 16035 1 267 . 1 1 60 60 ILE CA C 13 60.512 0.026 . 1 . . . . 82 I CA . 16035 1 268 . 1 1 60 60 ILE CB C 13 37.869 0.036 . 1 . . . . 82 I CB . 16035 1 269 . 1 1 60 60 ILE N N 15 120.628 0.010 . 1 . . . . 82 I N . 16035 1 270 . 1 1 61 61 ARG H H 1 8.355 0.001 . 1 . . . . 83 R H . 16035 1 271 . 1 1 61 61 ARG C C 13 173.745 0.25 . 1 . . . . 83 R C . 16035 1 272 . 1 1 61 61 ARG CA C 13 53.383 0.017 . 1 . . . . 83 R CA . 16035 1 273 . 1 1 61 61 ARG CB C 13 29.45 0.25 . 1 . . . . 83 R CB . 16035 1 274 . 1 1 61 61 ARG N N 15 126.098 0.019 . 1 . . . . 83 R N . 16035 1 275 . 1 1 63 63 PRO C C 13 176.7 0.002 . 1 . . . . 85 P C . 16035 1 276 . 1 1 63 63 PRO CA C 13 62.494 0.027 . 1 . . . . 85 P CA . 16035 1 277 . 1 1 63 63 PRO CB C 13 31.247 0.020 . 1 . . . . 85 P CB . 16035 1 278 . 1 1 64 64 ALA H H 1 8.345 0.001 . 1 . . . . 86 A H . 16035 1 279 . 1 1 64 64 ALA C C 13 177.566 0.007 . 1 . . . . 86 A C . 16035 1 280 . 1 1 64 64 ALA CA C 13 52.001 0.035 . 1 . . . . 86 A CA . 16035 1 281 . 1 1 64 64 ALA CB C 13 18.592 0.033 . 1 . . . . 86 A CB . 16035 1 282 . 1 1 64 64 ALA N N 15 123.746 0.010 . 1 . . . . 86 A N . 16035 1 283 . 1 1 65 65 GLN H H 1 8.279 0.001 . 1 . . . . 87 Q H . 16035 1 284 . 1 1 65 65 GLN C C 13 174.077 0.25 . 1 . . . . 87 Q C . 16035 1 285 . 1 1 65 65 GLN CA C 13 53.127 0.059 . 1 . . . . 87 Q CA . 16035 1 286 . 1 1 65 65 GLN CB C 13 28.464 0.25 . 1 . . . . 87 Q CB . 16035 1 287 . 1 1 65 65 GLN N N 15 120.105 0.009 . 1 . . . . 87 Q N . 16035 1 288 . 1 1 66 66 PRO C C 13 176.899 0.018 . 1 . . . . 88 P C . 16035 1 289 . 1 1 66 66 PRO CA C 13 62.775 0.035 . 1 . . . . 88 P CA . 16035 1 290 . 1 1 66 66 PRO CB C 13 31.233 0.032 . 1 . . . . 88 P CB . 16035 1 291 . 1 1 67 67 LEU H H 1 8.316 0.001 . 1 . . . . 89 L H . 16035 1 292 . 1 1 67 67 LEU C C 13 177.193 0.007 . 1 . . . . 89 L C . 16035 1 293 . 1 1 67 67 LEU CA C 13 54.938 0.057 . 1 . . . . 89 L CA . 16035 1 294 . 1 1 67 67 LEU CB C 13 41.436 0.084 . 1 . . . . 89 L CB . 16035 1 295 . 1 1 67 67 LEU N N 15 122.073 0.013 . 1 . . . . 89 L N . 16035 1 296 . 1 1 68 68 ALA H H 1 8.254 0.006 . 1 . . . . 90 A H . 16035 1 297 . 1 1 68 68 ALA C C 13 177.434 0.008 . 1 . . . . 90 A C . 16035 1 298 . 1 1 68 68 ALA CA C 13 51.975 0.029 . 1 . . . . 90 A CA . 16035 1 299 . 1 1 68 68 ALA CB C 13 18.539 0.030 . 1 . . . . 90 A CB . 16035 1 300 . 1 1 68 68 ALA N N 15 124.319 0.009 . 1 . . . . 90 A N . 16035 1 301 . 1 1 69 69 LEU H H 1 8.166 0.001 . 1 . . . . 91 L H . 16035 1 302 . 1 1 69 69 LEU C C 13 177.587 0.015 . 1 . . . . 91 L C . 16035 1 303 . 1 1 69 69 LEU CA C 13 54.828 0.013 . 1 . . . . 91 L CA . 16035 1 304 . 1 1 69 69 LEU CB C 13 41.474 0.085 . 1 . . . . 91 L CB . 16035 1 305 . 1 1 69 69 LEU N N 15 121.148 0.007 . 1 . . . . 91 L N . 16035 1 306 . 1 1 70 70 VAL H H 1 8.213 0.003 . 1 . . . . 92 V H . 16035 1 307 . 1 1 70 70 VAL C C 13 176.411 0.007 . 1 . . . . 92 V C . 16035 1 308 . 1 1 70 70 VAL CA C 13 61.945 0.015 . 1 . . . . 92 V CA . 16035 1 309 . 1 1 70 70 VAL CB C 13 32.049 0.075 . 1 . . . . 92 V CB . 16035 1 310 . 1 1 70 70 VAL N N 15 120.53 0.019 . 1 . . . . 92 V N . 16035 1 311 . 1 1 71 71 SER H H 1 8.423 0.001 . 1 . . . . 93 S H . 16035 1 312 . 1 1 71 71 SER C C 13 175.221 0.005 . 1 . . . . 93 S C . 16035 1 313 . 1 1 71 71 SER CA C 13 58.334 0.018 . 1 . . . . 93 S CA . 16035 1 314 . 1 1 71 71 SER CB C 13 63.506 0.055 . 1 . . . . 93 S CB . 16035 1 315 . 1 1 71 71 SER N N 15 118.805 0.009 . 1 . . . . 93 S N . 16035 1 316 . 1 1 72 72 GLY H H 1 8.418 0.001 . 1 . . . . 94 G H . 16035 1 317 . 1 1 72 72 GLY C C 13 173.938 0.010 . 1 . . . . 94 G C . 16035 1 318 . 1 1 72 72 GLY CA C 13 44.98 0.044 . 1 . . . . 94 G CA . 16035 1 319 . 1 1 72 72 GLY N N 15 110.885 0.016 . 1 . . . . 94 G N . 16035 1 320 . 1 1 73 73 ALA H H 1 8.102 0.001 . 1 . . . . 95 A H . 16035 1 321 . 1 1 73 73 ALA C C 13 177.728 0.002 . 1 . . . . 95 A C . 16035 1 322 . 1 1 73 73 ALA CA C 13 52.199 0.034 . 1 . . . . 95 A CA . 16035 1 323 . 1 1 73 73 ALA CB C 13 18.812 0.018 . 1 . . . . 95 A CB . 16035 1 324 . 1 1 73 73 ALA N N 15 123.412 0.017 . 1 . . . . 95 A N . 16035 1 325 . 1 1 74 74 ARG H H 1 8.406 0.006 . 1 . . . . 96 R H . 16035 1 326 . 1 1 74 74 ARG C C 13 176.252 0.008 . 1 . . . . 96 R C . 16035 1 327 . 1 1 74 74 ARG CA C 13 55.695 0.039 . 1 . . . . 96 R CA . 16035 1 328 . 1 1 74 74 ARG CB C 13 30.218 0.043 . 1 . . . . 96 R CB . 16035 1 329 . 1 1 74 74 ARG N N 15 119.655 0.009 . 1 . . . . 96 R N . 16035 1 330 . 1 1 75 75 THR H H 1 8.082 0.006 . 1 . . . . 97 T H . 16035 1 331 . 1 1 75 75 THR C C 13 174.237 0.007 . 1 . . . . 97 T C . 16035 1 332 . 1 1 75 75 THR CA C 13 61.085 0.022 . 1 . . . . 97 T CA . 16035 1 333 . 1 1 75 75 THR CB C 13 69.685 0.037 . 1 . . . . 97 T CB . 16035 1 334 . 1 1 75 75 THR N N 15 114.908 0.011 . 1 . . . . 97 T N . 16035 1 335 . 1 1 76 76 GLN H H 1 8.55 0.006 . 1 . . . . 98 Q H . 16035 1 336 . 1 1 76 76 GLN C C 13 174.86 0.008 . 1 . . . . 98 Q C . 16035 1 337 . 1 1 76 76 GLN CA C 13 54.868 0.030 . 1 . . . . 98 Q CA . 16035 1 338 . 1 1 76 76 GLN CB C 13 30.105 0.024 . 1 . . . . 98 Q CB . 16035 1 339 . 1 1 76 76 GLN N N 15 122.372 0.009 . 1 . . . . 98 Q N . 16035 1 340 . 1 1 77 77 PHE H H 1 8.644 0.001 . 1 . . . . 99 F H . 16035 1 341 . 1 1 77 77 PHE C C 13 175.459 0.006 . 1 . . . . 99 F C . 16035 1 342 . 1 1 77 77 PHE CA C 13 57.285 0.053 . 1 . . . . 99 F CA . 16035 1 343 . 1 1 77 77 PHE CB C 13 40.197 0.045 . 1 . . . . 99 F CB . 16035 1 344 . 1 1 77 77 PHE N N 15 122.816 0.010 . 1 . . . . 99 F N . 16035 1 345 . 1 1 78 78 THR H H 1 8.203 0.006 . 1 . . . . 100 T H . 16035 1 346 . 1 1 78 78 THR C C 13 174.805 0.009 . 1 . . . . 100 T C . 16035 1 347 . 1 1 78 78 THR CA C 13 61.002 0.043 . 1 . . . . 100 T CA . 16035 1 348 . 1 1 78 78 THR CB C 13 69.689 0.010 . 1 . . . . 100 T CB . 16035 1 349 . 1 1 78 78 THR N N 15 117.934 0.016 . 1 . . . . 100 T N . 16035 1 350 . 1 1 79 79 GLY H H 1 8.124 0.002 . 1 . . . . 101 G H . 16035 1 351 . 1 1 79 79 GLY C C 13 172.782 0.006 . 1 . . . . 101 G C . 16035 1 352 . 1 1 79 79 GLY CA C 13 46.693 0.074 . 1 . . . . 101 G CA . 16035 1 353 . 1 1 79 79 GLY N N 15 112.19 0.010 . 1 . . . . 101 G N . 16035 1 354 . 1 1 80 80 ASP H H 1 7.997 0.001 . 1 . . . . 102 D H . 16035 1 355 . 1 1 80 80 ASP C C 13 175.423 0.006 . 1 . . . . 102 D C . 16035 1 356 . 1 1 80 80 ASP CA C 13 53.325 0.041 . 1 . . . . 102 D CA . 16035 1 357 . 1 1 80 80 ASP CB C 13 40.921 0.022 . 1 . . . . 102 D CB . 16035 1 358 . 1 1 80 80 ASP N N 15 119.942 0.015 . 1 . . . . 102 D N . 16035 1 359 . 1 1 81 81 THR H H 1 7.74 0.001 . 1 . . . . 103 T H . 16035 1 360 . 1 1 81 81 THR C C 13 173.115 0.009 . 1 . . . . 103 T C . 16035 1 361 . 1 1 81 81 THR CA C 13 61.337 0.048 . 1 . . . . 103 T CA . 16035 1 362 . 1 1 81 81 THR CB C 13 71.965 0.041 . 1 . . . . 103 T CB . 16035 1 363 . 1 1 81 81 THR N N 15 113.999 0.014 . 1 . . . . 103 T N . 16035 1 364 . 1 1 82 82 ALA H H 1 9.284 0.002 . 1 . . . . 104 A H . 16035 1 365 . 1 1 82 82 ALA C C 13 175.4 0.001 . 1 . . . . 104 A C . 16035 1 366 . 1 1 82 82 ALA CA C 13 50.236 0.047 . 1 . . . . 104 A CA . 16035 1 367 . 1 1 82 82 ALA CB C 13 21.013 0.096 . 1 . . . . 104 A CB . 16035 1 368 . 1 1 82 82 ALA N N 15 129.507 0.021 . 1 . . . . 104 A N . 16035 1 369 . 1 1 83 83 SER H H 1 8.747 0.001 . 1 . . . . 105 S H . 16035 1 370 . 1 1 83 83 SER C C 13 172.416 0.007 . 1 . . . . 105 S C . 16035 1 371 . 1 1 83 83 SER CA C 13 56.991 0.038 . 1 . . . . 105 S CA . 16035 1 372 . 1 1 83 83 SER CB C 13 65.722 0.018 . 1 . . . . 105 S CB . 16035 1 373 . 1 1 83 83 SER N N 15 114.942 0.013 . 1 . . . . 105 S N . 16035 1 374 . 1 1 84 84 LEU H H 1 8.949 0.001 . 1 . . . . 106 L H . 16035 1 375 . 1 1 84 84 LEU C C 13 174.79 0.003 . 1 . . . . 106 L C . 16035 1 376 . 1 1 84 84 LEU CA C 13 53.538 0.047 . 1 . . . . 106 L CA . 16035 1 377 . 1 1 84 84 LEU CB C 13 45.755 0.039 . 1 . . . . 106 L CB . 16035 1 378 . 1 1 84 84 LEU N N 15 126.541 0.013 . 1 . . . . 106 L N . 16035 1 379 . 1 1 85 85 LEU H H 1 8.573 0.001 . 1 . . . . 107 L H . 16035 1 380 . 1 1 85 85 LEU C C 13 176.543 0.013 . 1 . . . . 107 L C . 16035 1 381 . 1 1 85 85 LEU CA C 13 53.879 0.055 . 1 . . . . 107 L CA . 16035 1 382 . 1 1 85 85 LEU CB C 13 41.786 0.060 . 1 . . . . 107 L CB . 16035 1 383 . 1 1 85 85 LEU N N 15 127.15 0.009 . 1 . . . . 107 L N . 16035 1 384 . 1 1 86 86 VAL H H 1 9.034 0.001 . 1 . . . . 108 V H . 16035 1 385 . 1 1 86 86 VAL C C 13 175.626 0.010 . 1 . . . . 108 V C . 16035 1 386 . 1 1 86 86 VAL CA C 13 60.634 0.049 . 1 . . . . 108 V CA . 16035 1 387 . 1 1 86 86 VAL CB C 13 33.619 0.062 . 1 . . . . 108 V CB . 16035 1 388 . 1 1 86 86 VAL N N 15 122.889 0.012 . 1 . . . . 108 V N . 16035 1 389 . 1 1 87 87 GLU H H 1 8.784 0.001 . 1 . . . . 109 E H . 16035 1 390 . 1 1 87 87 GLU C C 13 176.359 0.007 . 1 . . . . 109 E C . 16035 1 391 . 1 1 87 87 GLU CA C 13 56.548 0.066 . 1 . . . . 109 E CA . 16035 1 392 . 1 1 87 87 GLU CB C 13 29.625 0.045 . 1 . . . . 109 E CB . 16035 1 393 . 1 1 87 87 GLU N N 15 125.234 0.010 . 1 . . . . 109 E N . 16035 1 394 . 1 1 88 88 ASN H H 1 8.629 0.001 . 1 . . . . 110 N H . 16035 1 395 . 1 1 88 88 ASN C C 13 176.021 0.006 . 1 . . . . 110 N C . 16035 1 396 . 1 1 88 88 ASN CA C 13 53.443 0.026 . 1 . . . . 110 N CA . 16035 1 397 . 1 1 88 88 ASN CB C 13 38.638 0.020 . 1 . . . . 110 N CB . 16035 1 398 . 1 1 88 88 ASN N N 15 119.329 0.010 . 1 . . . . 110 N N . 16035 1 399 . 1 1 89 89 GLY H H 1 8.548 0.001 . 1 . . . . 111 G H . 16035 1 400 . 1 1 89 89 GLY C C 13 174.511 0.009 . 1 . . . . 111 G C . 16035 1 401 . 1 1 89 89 GLY CA C 13 45.394 0.063 . 1 . . . . 111 G CA . 16035 1 402 . 1 1 89 89 GLY N N 15 109.162 0.015 . 1 . . . . 111 G N . 16035 1 403 . 1 1 90 90 ARG H H 1 8.375 0.001 . 1 . . . . 112 R H . 16035 1 404 . 1 1 90 90 ARG C C 13 177.438 0.007 . 1 . . . . 112 R C . 16035 1 405 . 1 1 90 90 ARG CA C 13 55.719 0.056 . 1 . . . . 112 R CA . 16035 1 406 . 1 1 90 90 ARG CB C 13 29.539 0.039 . 1 . . . . 112 R CB . 16035 1 407 . 1 1 90 90 ARG N N 15 120.041 0.010 . 1 . . . . 112 R N . 16035 1 408 . 1 1 91 91 GLY H H 1 8.553 0.001 . 1 . . . . 113 G H . 16035 1 409 . 1 1 91 91 GLY C C 13 174.622 0.007 . 1 . . . . 113 G C . 16035 1 410 . 1 1 91 91 GLY CA C 13 45.873 0.060 . 1 . . . . 113 G CA . 16035 1 411 . 1 1 91 91 GLY N N 15 109.676 0.026 . 1 . . . . 113 G N . 16035 1 412 . 1 1 92 92 ASN H H 1 8.49 0.001 . 1 . . . . 114 N H . 16035 1 413 . 1 1 92 92 ASN C C 13 176.004 0.006 . 1 . . . . 114 N C . 16035 1 414 . 1 1 92 92 ASN CA C 13 53.602 0.035 . 1 . . . . 114 N CA . 16035 1 415 . 1 1 92 92 ASN CB C 13 37.84 0.044 . 1 . . . . 114 N CB . 16035 1 416 . 1 1 92 92 ASN N N 15 118.622 0.009 . 1 . . . . 114 N N . 16035 1 417 . 1 1 93 93 THR H H 1 8.025 0.006 . 1 . . . . 115 T H . 16035 1 418 . 1 1 93 93 THR C C 13 175.401 0.010 . 1 . . . . 115 T C . 16035 1 419 . 1 1 93 93 THR CA C 13 61.144 0.023 . 1 . . . . 115 T CA . 16035 1 420 . 1 1 93 93 THR CB C 13 69.074 0.063 . 1 . . . . 115 T CB . 16035 1 421 . 1 1 93 93 THR N N 15 110.628 0.017 . 1 . . . . 115 T N . 16035 1 422 . 1 1 94 94 LEU H H 1 8.146 0.001 . 1 . . . . 116 L H . 16035 1 423 . 1 1 94 94 LEU C C 13 177.959 0.008 . 1 . . . . 116 L C . 16035 1 424 . 1 1 94 94 LEU CA C 13 57.214 0.052 . 1 . . . . 116 L CA . 16035 1 425 . 1 1 94 94 LEU CB C 13 41.603 0.037 . 1 . . . . 116 L CB . 16035 1 426 . 1 1 94 94 LEU N N 15 125.062 0.047 . 1 . . . . 116 L N . 16035 1 427 . 1 1 95 95 TRP H H 1 9.008 0.001 . 1 . . . . 117 W H . 16035 1 428 . 1 1 95 95 TRP C C 13 173.498 0.25 . 1 . . . . 117 W C . 16035 1 429 . 1 1 95 95 TRP CA C 13 61.313 0.054 . 1 . . . . 117 W CA . 16035 1 430 . 1 1 95 95 TRP CB C 13 27.224 0.25 . 1 . . . . 117 W CB . 16035 1 431 . 1 1 95 95 TRP N N 15 117.839 0.011 . 1 . . . . 117 W N . 16035 1 432 . 1 1 96 96 PRO C C 13 179.832 0.001 . 1 . . . . 118 P C . 16035 1 433 . 1 1 96 96 PRO CA C 13 65.261 0.008 . 1 . . . . 118 P CA . 16035 1 434 . 1 1 96 96 PRO CB C 13 29.55 0.018 . 1 . . . . 118 P CB . 16035 1 435 . 1 1 97 97 GLN H H 1 7.462 0.006 . 1 . . . . 119 Q H . 16035 1 436 . 1 1 97 97 GLN C C 13 178.601 0.015 . 1 . . . . 119 Q C . 16035 1 437 . 1 1 97 97 GLN CA C 13 58.77 0.037 . 1 . . . . 119 Q CA . 16035 1 438 . 1 1 97 97 GLN CB C 13 28.209 0.021 . 1 . . . . 119 Q CB . 16035 1 439 . 1 1 97 97 GLN N N 15 116.844 0.022 . 1 . . . . 119 Q N . 16035 1 440 . 1 1 98 98 VAL H H 1 8.231 0.002 . 1 . . . . 120 V H . 16035 1 441 . 1 1 98 98 VAL C C 13 177.219 0.006 . 1 . . . . 120 V C . 16035 1 442 . 1 1 98 98 VAL CA C 13 66.92 0.054 . 1 . . . . 120 V CA . 16035 1 443 . 1 1 98 98 VAL CB C 13 30.287 0.055 . 1 . . . . 120 V CB . 16035 1 444 . 1 1 98 98 VAL N N 15 121.726 0.011 . 1 . . . . 120 V N . 16035 1 445 . 1 1 99 99 VAL H H 1 7.541 0.001 . 1 . . . . 121 V H . 16035 1 446 . 1 1 99 99 VAL C C 13 178.138 0.006 . 1 . . . . 121 V C . 16035 1 447 . 1 1 99 99 VAL CA C 13 66.869 0.049 . 1 . . . . 121 V CA . 16035 1 448 . 1 1 99 99 VAL CB C 13 30.357 0.054 . 1 . . . . 121 V CB . 16035 1 449 . 1 1 99 99 VAL N N 15 117.348 0.012 . 1 . . . . 121 V N . 16035 1 450 . 1 1 100 100 SER H H 1 7.859 0.001 . 1 . . . . 122 S H . 16035 1 451 . 1 1 100 100 SER C C 13 177.401 0.007 . 1 . . . . 122 S C . 16035 1 452 . 1 1 100 100 SER CA C 13 61.513 0.093 . 1 . . . . 122 S CA . 16035 1 453 . 1 1 100 100 SER CB C 13 62.514 0.077 . 1 . . . . 122 S CB . 16035 1 454 . 1 1 100 100 SER N N 15 113.215 0.012 . 1 . . . . 122 S N . 16035 1 455 . 1 1 101 101 VAL H H 1 7.978 0.001 . 1 . . . . 123 V H . 16035 1 456 . 1 1 101 101 VAL C C 13 177.842 0.009 . 1 . . . . 123 V C . 16035 1 457 . 1 1 101 101 VAL CA C 13 65.603 0.069 . 1 . . . . 123 V CA . 16035 1 458 . 1 1 101 101 VAL CB C 13 30.708 0.086 . 1 . . . . 123 V CB . 16035 1 459 . 1 1 101 101 VAL N N 15 123.11 0.011 . 1 . . . . 123 V N . 16035 1 460 . 1 1 102 102 LEU H H 1 7.399 0.001 . 1 . . . . 124 L H . 16035 1 461 . 1 1 102 102 LEU C C 13 179.451 0.005 . 1 . . . . 124 L C . 16035 1 462 . 1 1 102 102 LEU CA C 13 57.462 0.026 . 1 . . . . 124 L CA . 16035 1 463 . 1 1 102 102 LEU CB C 13 40.048 0.051 . 1 . . . . 124 L CB . 16035 1 464 . 1 1 102 102 LEU N N 15 118.075 0.015 . 1 . . . . 124 L N . 16035 1 465 . 1 1 103 103 GLN H H 1 8.329 0.002 . 1 . . . . 125 Q H . 16035 1 466 . 1 1 103 103 GLN C C 13 180.649 0.008 . 1 . . . . 125 Q C . 16035 1 467 . 1 1 103 103 GLN CA C 13 58.402 0.022 . 1 . . . . 125 Q CA . 16035 1 468 . 1 1 103 103 GLN CB C 13 27.622 0.054 . 1 . . . . 125 Q CB . 16035 1 469 . 1 1 103 103 GLN N N 15 116.85 0.027 . 1 . . . . 125 Q N . 16035 1 470 . 1 1 104 104 ALA H H 1 8.279 0.001 . 1 . . . . 126 A H . 16035 1 471 . 1 1 104 104 ALA C C 13 179.468 0.014 . 1 . . . . 126 A C . 16035 1 472 . 1 1 104 104 ALA CA C 13 54.124 0.032 . 1 . . . . 126 A CA . 16035 1 473 . 1 1 104 104 ALA CB C 13 17.294 0.047 . 1 . . . . 126 A CB . 16035 1 474 . 1 1 104 104 ALA N N 15 123.237 0.016 . 1 . . . . 126 A N . 16035 1 475 . 1 1 105 105 LYS H H 1 7.026 0.002 . 1 . . . . 127 K H . 16035 1 476 . 1 1 105 105 LYS C C 13 175.505 0.007 . 1 . . . . 127 K C . 16035 1 477 . 1 1 105 105 LYS CA C 13 53.727 0.087 . 1 . . . . 127 K CA . 16035 1 478 . 1 1 105 105 LYS CB C 13 29.459 0.055 . 1 . . . . 127 K CB . 16035 1 479 . 1 1 105 105 LYS N N 15 115.307 0.017 . 1 . . . . 127 K N . 16035 1 480 . 1 1 106 106 ASN H H 1 7.932 0.001 . 1 . . . . 128 N H . 16035 1 481 . 1 1 106 106 ASN C C 13 175.047 0.011 . 1 . . . . 128 N C . 16035 1 482 . 1 1 106 106 ASN CA C 13 53.9 0.027 . 1 . . . . 128 N CA . 16035 1 483 . 1 1 106 106 ASN CB C 13 36.486 0.045 . 1 . . . . 128 N CB . 16035 1 484 . 1 1 106 106 ASN N N 15 113.264 0.021 . 1 . . . . 128 N N . 16035 1 485 . 1 1 107 107 TYR H H 1 7.388 0.001 . 1 . . . . 129 Y H . 16035 1 486 . 1 1 107 107 TYR C C 13 175.796 0.009 . 1 . . . . 129 Y C . 16035 1 487 . 1 1 107 107 TYR CA C 13 54.227 0.039 . 1 . . . . 129 Y CA . 16035 1 488 . 1 1 107 107 TYR CB C 13 35.87 0.084 . 1 . . . . 129 Y CB . 16035 1 489 . 1 1 107 107 TYR N N 15 117.474 0.011 . 1 . . . . 129 Y N . 16035 1 490 . 1 1 108 108 THR H H 1 8.683 0.006 . 1 . . . . 130 T H . 16035 1 491 . 1 1 108 108 THR C C 13 173.579 0.009 . 1 . . . . 130 T C . 16035 1 492 . 1 1 108 108 THR CA C 13 62.837 0.108 . 1 . . . . 130 T CA . 16035 1 493 . 1 1 108 108 THR CB C 13 68.816 0.008 . 1 . . . . 130 T CB . 16035 1 494 . 1 1 108 108 THR N N 15 120.06 0.011 . 1 . . . . 130 T N . 16035 1 495 . 1 1 109 109 ILE H H 1 8.877 0.002 . 1 . . . . 131 I H . 16035 1 496 . 1 1 109 109 ILE C C 13 176.535 0.008 . 1 . . . . 131 I C . 16035 1 497 . 1 1 109 109 ILE CA C 13 60.364 0.025 . 1 . . . . 131 I CA . 16035 1 498 . 1 1 109 109 ILE CB C 13 38.315 0.019 . 1 . . . . 131 I CB . 16035 1 499 . 1 1 109 109 ILE N N 15 129.36 0.012 . 1 . . . . 131 I N . 16035 1 500 . 1 1 110 110 THR H H 1 8.807 0.001 . 1 . . . . 132 T H . 16035 1 501 . 1 1 110 110 THR C C 13 174.904 0.008 . 1 . . . . 132 T C . 16035 1 502 . 1 1 110 110 THR CA C 13 62.514 0.022 . 1 . . . . 132 T CA . 16035 1 503 . 1 1 110 110 THR CB C 13 68.2 0.026 . 1 . . . . 132 T CB . 16035 1 504 . 1 1 110 110 THR N N 15 119.673 0.010 . 1 . . . . 132 T N . 16035 1 505 . 1 1 111 111 GLN H H 1 7.583 0.001 . 1 . . . . 133 Q H . 16035 1 506 . 1 1 111 111 GLN C C 13 173.423 0.005 . 1 . . . . 133 Q C . 16035 1 507 . 1 1 111 111 GLN CA C 13 55.413 0.025 . 1 . . . . 133 Q CA . 16035 1 508 . 1 1 111 111 GLN CB C 13 30.449 0.038 . 1 . . . . 133 Q CB . 16035 1 509 . 1 1 111 111 GLN N N 15 121.372 0.012 . 1 . . . . 133 Q N . 16035 1 510 . 1 1 112 112 ARG H H 1 8.816 0.001 . 1 . . . . 134 R H . 16035 1 511 . 1 1 112 112 ARG C C 13 173.141 0.007 . 1 . . . . 134 R C . 16035 1 512 . 1 1 112 112 ARG CA C 13 56.125 0.025 . 1 . . . . 134 R CA . 16035 1 513 . 1 1 112 112 ARG CB C 13 33.243 0.025 . 1 . . . . 134 R CB . 16035 1 514 . 1 1 112 112 ARG N N 15 124.657 0.011 . 1 . . . . 134 R N . 16035 1 515 . 1 1 113 113 ASP H H 1 9.087 0.001 . 1 . . . . 135 D H . 16035 1 516 . 1 1 113 113 ASP C C 13 176.209 0.003 . 1 . . . . 135 D C . 16035 1 517 . 1 1 113 113 ASP CA C 13 51.679 0.067 . 1 . . . . 135 D CA . 16035 1 518 . 1 1 113 113 ASP CB C 13 40.896 0.045 . 1 . . . . 135 D CB . 16035 1 519 . 1 1 113 113 ASP N N 15 127.196 0.012 . 1 . . . . 135 D N . 16035 1 520 . 1 1 114 114 ASP H H 1 8.99 0.006 . 1 . . . . 136 D H . 16035 1 521 . 1 1 114 114 ASP C C 13 177.944 0.011 . 1 . . . . 136 D C . 16035 1 522 . 1 1 114 114 ASP CA C 13 57.041 0.027 . 1 . . . . 136 D CA . 16035 1 523 . 1 1 114 114 ASP CB C 13 40.2 0.001 . 1 . . . . 136 D CB . 16035 1 524 . 1 1 114 114 ASP N N 15 123.939 0.007 . 1 . . . . 136 D N . 16035 1 525 . 1 1 115 115 ALA H H 1 8.22 0.001 . 1 . . . . 137 A H . 16035 1 526 . 1 1 115 115 ALA C C 13 179.828 0.009 . 1 . . . . 137 A C . 16035 1 527 . 1 1 115 115 ALA CA C 13 54.325 0.080 . 1 . . . . 137 A CA . 16035 1 528 . 1 1 115 115 ALA CB C 13 17.372 0.041 . 1 . . . . 137 A CB . 16035 1 529 . 1 1 115 115 ALA N N 15 123.553 0.023 . 1 . . . . 137 A N . 16035 1 530 . 1 1 116 116 GLY H H 1 8.089 0.002 . 1 . . . . 138 G H . 16035 1 531 . 1 1 116 116 GLY C C 13 172.739 0.011 . 1 . . . . 138 G C . 16035 1 532 . 1 1 116 116 GLY CA C 13 44.653 0.042 . 1 . . . . 138 G CA . 16035 1 533 . 1 1 116 116 GLY N N 15 104.943 0.021 . 1 . . . . 138 G N . 16035 1 534 . 1 1 117 117 GLN H H 1 7.265 0.001 . 1 . . . . 139 Q H . 16035 1 535 . 1 1 117 117 GLN C C 13 172.395 0.006 . 1 . . . . 139 Q C . 16035 1 536 . 1 1 117 117 GLN CA C 13 55.159 0.067 . 1 . . . . 139 Q CA . 16035 1 537 . 1 1 117 117 GLN CB C 13 25.764 0.014 . 1 . . . . 139 Q CB . 16035 1 538 . 1 1 117 117 GLN N N 15 118.124 0.011 . 1 . . . . 139 Q N . 16035 1 539 . 1 1 118 118 THR H H 1 7.436 0.002 . 1 . . . . 140 T H . 16035 1 540 . 1 1 118 118 THR C C 13 171.81 0.004 . 1 . . . . 140 T C . 16035 1 541 . 1 1 118 118 THR CA C 13 60.115 0.059 . 1 . . . . 140 T CA . 16035 1 542 . 1 1 118 118 THR CB C 13 70.892 0.045 . 1 . . . . 140 T CB . 16035 1 543 . 1 1 118 118 THR N N 15 110.707 0.016 . 1 . . . . 140 T N . 16035 1 544 . 1 1 119 119 LEU H H 1 9.5 0.001 . 1 . . . . 141 L H . 16035 1 545 . 1 1 119 119 LEU C C 13 175.119 0.003 . 1 . . . . 141 L C . 16035 1 546 . 1 1 119 119 LEU CA C 13 54.072 0.031 . 1 . . . . 141 L CA . 16035 1 547 . 1 1 119 119 LEU CB C 13 44.034 0.032 . 1 . . . . 141 L CB . 16035 1 548 . 1 1 119 119 LEU N N 15 124.308 0.015 . 1 . . . . 141 L N . 16035 1 549 . 1 1 120 120 THR H H 1 9.072 0.001 . 1 . . . . 142 T H . 16035 1 550 . 1 1 120 120 THR C C 13 174.583 0.007 . 1 . . . . 142 T C . 16035 1 551 . 1 1 120 120 THR CA C 13 60.595 0.042 . 1 . . . . 142 T CA . 16035 1 552 . 1 1 120 120 THR CB C 13 71.149 0.067 . 1 . . . . 142 T CB . 16035 1 553 . 1 1 120 120 THR N N 15 116.283 0.013 . 1 . . . . 142 T N . 16035 1 554 . 1 1 121 121 THR H H 1 9.379 0.001 . 1 . . . . 143 T H . 16035 1 555 . 1 1 121 121 THR C C 13 175.435 0.010 . 1 . . . . 143 T C . 16035 1 556 . 1 1 121 121 THR CA C 13 60.612 0.051 . 1 . . . . 143 T CA . 16035 1 557 . 1 1 121 121 THR CB C 13 71.226 0.058 . 1 . . . . 143 T CB . 16035 1 558 . 1 1 121 121 THR N N 15 115.759 0.012 . 1 . . . . 143 T N . 16035 1 559 . 1 1 122 122 ASP H H 1 8.169 0.001 . 1 . . . . 144 D H . 16035 1 560 . 1 1 122 122 ASP C C 13 176.41 0.009 . 1 . . . . 144 D C . 16035 1 561 . 1 1 122 122 ASP CA C 13 52.221 0.044 . 1 . . . . 144 D CA . 16035 1 562 . 1 1 122 122 ASP CB C 13 41.545 0.058 . 1 . . . . 144 D CB . 16035 1 563 . 1 1 122 122 ASP N N 15 117.799 0.014 . 1 . . . . 144 D N . 16035 1 564 . 1 1 123 123 TRP H H 1 8.948 0.001 . 1 . . . . 145 W H . 16035 1 565 . 1 1 123 123 TRP C C 13 176.669 0.004 . 1 . . . . 145 W C . 16035 1 566 . 1 1 123 123 TRP CA C 13 58.261 0.026 . 1 . . . . 145 W CA . 16035 1 567 . 1 1 123 123 TRP CB C 13 30.471 0.042 . 1 . . . . 145 W CB . 16035 1 568 . 1 1 123 123 TRP N N 15 120.191 0.013 . 1 . . . . 145 W N . 16035 1 569 . 1 1 124 124 VAL H H 1 9.799 0.001 . 1 . . . . 146 V H . 16035 1 570 . 1 1 124 124 VAL C C 13 174.895 0.009 . 1 . . . . 146 V C . 16035 1 571 . 1 1 124 124 VAL CA C 13 61.477 0.036 . 1 . . . . 146 V CA . 16035 1 572 . 1 1 124 124 VAL CB C 13 33.702 0.047 . 1 . . . . 146 V CB . 16035 1 573 . 1 1 124 124 VAL N N 15 126.994 0.009 . 1 . . . . 146 V N . 16035 1 574 . 1 1 125 125 GLN H H 1 8.409 0.001 . 1 . . . . 147 Q H . 16035 1 575 . 1 1 125 125 GLN C C 13 175.146 0.007 . 1 . . . . 147 Q C . 16035 1 576 . 1 1 125 125 GLN CA C 13 54.504 0.040 . 1 . . . . 147 Q CA . 16035 1 577 . 1 1 125 125 GLN CB C 13 29.505 0.060 . 1 . . . . 147 Q CB . 16035 1 578 . 1 1 125 125 GLN N N 15 124.926 0.008 . 1 . . . . 147 Q N . 16035 1 579 . 1 1 126 126 TRP H H 1 8.592 0.001 . 1 . . . . 148 W H . 16035 1 580 . 1 1 126 126 TRP C C 13 175.671 0.007 . 1 . . . . 148 W C . 16035 1 581 . 1 1 126 126 TRP CA C 13 55.703 0.047 . 1 . . . . 148 W CA . 16035 1 582 . 1 1 126 126 TRP CB C 13 31.079 0.083 . 1 . . . . 148 W CB . 16035 1 583 . 1 1 126 126 TRP N N 15 127.42 0.013 . 1 . . . . 148 W N . 16035 1 584 . 1 1 127 127 ASN H H 1 8.753 0.001 . 1 . . . . 149 N H . 16035 1 585 . 1 1 127 127 ASN C C 13 174.943 0.005 . 1 . . . . 149 N C . 16035 1 586 . 1 1 127 127 ASN CA C 13 53.421 0.050 . 1 . . . . 149 N CA . 16035 1 587 . 1 1 127 127 ASN CB C 13 39.801 0.047 . 1 . . . . 149 N CB . 16035 1 588 . 1 1 127 127 ASN N N 15 118.828 0.016 . 1 . . . . 149 N N . 16035 1 589 . 1 1 128 128 ARG H H 1 9.145 0.001 . 1 . . . . 150 R H . 16035 1 590 . 1 1 128 128 ARG C C 13 177.228 0.025 . 1 . . . . 150 R C . 16035 1 591 . 1 1 128 128 ARG CA C 13 55.443 0.032 . 1 . . . . 150 R CA . 16035 1 592 . 1 1 128 128 ARG CB C 13 32.19 0.074 . 1 . . . . 150 R CB . 16035 1 593 . 1 1 128 128 ARG N N 15 123.235 0.007 . 1 . . . . 150 R N . 16035 1 594 . 1 1 129 129 LEU H H 1 8.685 0.001 . 1 . . . . 151 L H . 16035 1 595 . 1 1 129 129 LEU C C 13 177.414 0.022 . 1 . . . . 151 L C . 16035 1 596 . 1 1 129 129 LEU CA C 13 56.022 0.061 . 1 . . . . 151 L CA . 16035 1 597 . 1 1 129 129 LEU CB C 13 41.056 0.069 . 1 . . . . 151 L CB . 16035 1 598 . 1 1 129 129 LEU N N 15 122.426 0.036 . 1 . . . . 151 L N . 16035 1 599 . 1 1 130 130 ASP H H 1 8.431 0.001 . 1 . . . . 152 D H . 16035 1 600 . 1 1 130 130 ASP C C 13 175.93 0.008 . 1 . . . . 152 D C . 16035 1 601 . 1 1 130 130 ASP CA C 13 53.704 0.060 . 1 . . . . 152 D CA . 16035 1 602 . 1 1 130 130 ASP CB C 13 39.375 0.078 . 1 . . . . 152 D CB . 16035 1 603 . 1 1 130 130 ASP N N 15 116.087 0.018 . 1 . . . . 152 D N . 16035 1 604 . 1 1 131 131 GLU H H 1 7.642 0.001 . 1 . . . . 153 E H . 16035 1 605 . 1 1 131 131 GLU C C 13 176.082 0.012 . 1 . . . . 153 E C . 16035 1 606 . 1 1 131 131 GLU CA C 13 55.273 0.060 . 1 . . . . 153 E CA . 16035 1 607 . 1 1 131 131 GLU CB C 13 30.21 0.052 . 1 . . . . 153 E CB . 16035 1 608 . 1 1 131 131 GLU N N 15 118.16 0.009 . 1 . . . . 153 E N . 16035 1 609 . 1 1 132 132 ASP H H 1 8.637 0.001 . 1 . . . . 154 D H . 16035 1 610 . 1 1 132 132 ASP C C 13 176.596 0.008 . 1 . . . . 154 D C . 16035 1 611 . 1 1 132 132 ASP CA C 13 55.306 0.044 . 1 . . . . 154 D CA . 16035 1 612 . 1 1 132 132 ASP CB C 13 41.011 0.117 . 1 . . . . 154 D CB . 16035 1 613 . 1 1 132 132 ASP N N 15 120.922 0.007 . 1 . . . . 154 D N . 16035 1 614 . 1 1 133 133 GLU H H 1 8.042 0.001 . 1 . . . . 155 E H . 16035 1 615 . 1 1 133 133 GLU C C 13 175.63 0.004 . 1 . . . . 155 E C . 16035 1 616 . 1 1 133 133 GLU CA C 13 55.331 0.044 . 1 . . . . 155 E CA . 16035 1 617 . 1 1 133 133 GLU CB C 13 30.597 0.047 . 1 . . . . 155 E CB . 16035 1 618 . 1 1 133 133 GLU N N 15 118.651 0.019 . 1 . . . . 155 E N . 16035 1 619 . 1 1 134 134 GLN H H 1 8.525 0.001 . 1 . . . . 156 Q H . 16035 1 620 . 1 1 134 134 GLN C C 13 176.089 0.003 . 1 . . . . 156 Q C . 16035 1 621 . 1 1 134 134 GLN CA C 13 54.951 0.060 . 1 . . . . 156 Q CA . 16035 1 622 . 1 1 134 134 GLN CB C 13 28.351 0.067 . 1 . . . . 156 Q CB . 16035 1 623 . 1 1 134 134 GLN N N 15 119.452 0.016 . 1 . . . . 156 Q N . 16035 1 624 . 1 1 135 135 TYR H H 1 9.184 0.002 . 1 . . . . 157 Y H . 16035 1 625 . 1 1 135 135 TYR C C 13 175.819 0.006 . 1 . . . . 157 Y C . 16035 1 626 . 1 1 135 135 TYR CA C 13 56.968 0.033 . 1 . . . . 157 Y CA . 16035 1 627 . 1 1 135 135 TYR CB C 13 40.614 0.048 . 1 . . . . 157 Y CB . 16035 1 628 . 1 1 135 135 TYR N N 15 122.164 0.009 . 1 . . . . 157 Y N . 16035 1 629 . 1 1 136 136 ARG H H 1 9.008 0.001 . 1 . . . . 158 R H . 16035 1 630 . 1 1 136 136 ARG C C 13 175.03 0.004 . 1 . . . . 158 R C . 16035 1 631 . 1 1 136 136 ARG CA C 13 53.787 0.049 . 1 . . . . 158 R CA . 16035 1 632 . 1 1 136 136 ARG CB C 13 33.606 0.049 . 1 . . . . 158 R CB . 16035 1 633 . 1 1 136 136 ARG N N 15 115.63 0.018 . 1 . . . . 158 R N . 16035 1 634 . 1 1 137 137 GLY H H 1 9.119 0.002 . 1 . . . . 159 G H . 16035 1 635 . 1 1 137 137 GLY C C 13 171.435 0.004 . 1 . . . . 159 G C . 16035 1 636 . 1 1 137 137 GLY CA C 13 44.39 0.083 . 1 . . . . 159 G CA . 16035 1 637 . 1 1 137 137 GLY N N 15 106.548 0.015 . 1 . . . . 159 G N . 16035 1 638 . 1 1 138 138 ARG H H 1 7.957 0.002 . 1 . . . . 160 R H . 16035 1 639 . 1 1 138 138 ARG C C 13 175.103 0.005 . 1 . . . . 160 R C . 16035 1 640 . 1 1 138 138 ARG CA C 13 55.226 0.016 . 1 . . . . 160 R CA . 16035 1 641 . 1 1 138 138 ARG CB C 13 32.413 0.022 . 1 . . . . 160 R CB . 16035 1 642 . 1 1 138 138 ARG N N 15 119.099 0.022 . 1 . . . . 160 R N . 16035 1 643 . 1 1 139 139 TYR H H 1 7.949 0.002 . 1 . . . . 161 Y H . 16035 1 644 . 1 1 139 139 TYR C C 13 173.979 0.006 . 1 . . . . 161 Y C . 16035 1 645 . 1 1 139 139 TYR CA C 13 57.606 0.029 . 1 . . . . 161 Y CA . 16035 1 646 . 1 1 139 139 TYR CB C 13 42.14 0.023 . 1 . . . . 161 Y CB . 16035 1 647 . 1 1 139 139 TYR N N 15 118.355 0.018 . 1 . . . . 161 Y N . 16035 1 648 . 1 1 140 140 GLN H H 1 9.664 0.001 . 1 . . . . 162 Q H . 16035 1 649 . 1 1 140 140 GLN C C 13 175.778 0.008 . 1 . . . . 162 Q C . 16035 1 650 . 1 1 140 140 GLN CA C 13 54.242 0.060 . 1 . . . . 162 Q CA . 16035 1 651 . 1 1 140 140 GLN CB C 13 31.308 0.027 . 1 . . . . 162 Q CB . 16035 1 652 . 1 1 140 140 GLN N N 15 121.81 0.010 . 1 . . . . 162 Q N . 16035 1 653 . 1 1 141 141 ILE H H 1 9.462 0.001 . 1 . . . . 163 I H . 16035 1 654 . 1 1 141 141 ILE C C 13 174.383 0.005 . 1 . . . . 163 I C . 16035 1 655 . 1 1 141 141 ILE CA C 13 59.546 0.053 . 1 . . . . 163 I CA . 16035 1 656 . 1 1 141 141 ILE CB C 13 39.768 0.027 . 1 . . . . 163 I CB . 16035 1 657 . 1 1 141 141 ILE N N 15 131.267 0.015 . 1 . . . . 163 I N . 16035 1 658 . 1 1 142 142 SER H H 1 9.072 0.001 . 1 . . . . 164 S H . 16035 1 659 . 1 1 142 142 SER C C 13 173.171 0.007 . 1 . . . . 164 S C . 16035 1 660 . 1 1 142 142 SER CA C 13 56.225 0.034 . 1 . . . . 164 S CA . 16035 1 661 . 1 1 142 142 SER CB C 13 66.376 0.091 . 1 . . . . 164 S CB . 16035 1 662 . 1 1 142 142 SER N N 15 119.513 0.012 . 1 . . . . 164 S N . 16035 1 663 . 1 1 143 143 VAL H H 1 8.22 0.002 . 1 . . . . 165 V H . 16035 1 664 . 1 1 143 143 VAL C C 13 175.467 0.005 . 1 . . . . 165 V C . 16035 1 665 . 1 1 143 143 VAL CA C 13 60.943 0.068 . 1 . . . . 165 V CA . 16035 1 666 . 1 1 143 143 VAL CB C 13 34.184 0.047 . 1 . . . . 165 V CB . 16035 1 667 . 1 1 143 143 VAL N N 15 120.691 0.019 . 1 . . . . 165 V N . 16035 1 668 . 1 1 144 144 LYS H H 1 9.073 0.001 . 1 . . . . 166 K H . 16035 1 669 . 1 1 144 144 LYS C C 13 173.152 0.25 . 1 . . . . 166 K C . 16035 1 670 . 1 1 144 144 LYS CA C 13 52.575 0.001 . 1 . . . . 166 K CA . 16035 1 671 . 1 1 144 144 LYS CB C 13 34.353 0.25 . 1 . . . . 166 K CB . 16035 1 672 . 1 1 144 144 LYS N N 15 127.339 0.042 . 1 . . . . 166 K N . 16035 1 673 . 1 1 145 145 PRO C C 13 176.818 0.002 . 1 . . . . 167 P C . 16035 1 674 . 1 1 145 145 PRO CA C 13 62.723 0.058 . 1 . . . . 167 P CA . 16035 1 675 . 1 1 145 145 PRO CB C 13 31.251 0.008 . 1 . . . . 167 P CB . 16035 1 676 . 1 1 146 146 GLN H H 1 8.426 0.002 . 1 . . . . 168 Q H . 16035 1 677 . 1 1 146 146 GLN C C 13 175.416 0.002 . 1 . . . . 168 Q C . 16035 1 678 . 1 1 146 146 GLN CA C 13 54.693 0.033 . 1 . . . . 168 Q CA . 16035 1 679 . 1 1 146 146 GLN CB C 13 29.251 0.051 . 1 . . . . 168 Q CB . 16035 1 680 . 1 1 146 146 GLN N N 15 123.934 0.047 . 1 . . . . 168 Q N . 16035 1 681 . 1 1 147 147 GLY H H 1 8.828 0.006 . 1 . . . . 169 G H . 16035 1 682 . 1 1 147 147 GLY C C 13 175.065 0.028 . 1 . . . . 169 G C . 16035 1 683 . 1 1 147 147 GLY CA C 13 46.547 0.070 . 1 . . . . 169 G CA . 16035 1 684 . 1 1 147 147 GLY N N 15 115.807 0.011 . 1 . . . . 169 G N . 16035 1 685 . 1 1 148 148 TYR H H 1 8.72 0.001 . 1 . . . . 170 Y H . 16035 1 686 . 1 1 148 148 TYR C C 13 175.249 0.005 . 1 . . . . 170 Y C . 16035 1 687 . 1 1 148 148 TYR CA C 13 57.912 0.065 . 1 . . . . 170 Y CA . 16035 1 688 . 1 1 148 148 TYR CB C 13 37.052 0.078 . 1 . . . . 170 Y CB . 16035 1 689 . 1 1 148 148 TYR N N 15 125.885 0.011 . 1 . . . . 170 Y N . 16035 1 690 . 1 1 149 149 GLN H H 1 7.829 0.006 . 1 . . . . 171 Q H . 16035 1 691 . 1 1 149 149 GLN C C 13 174.895 0.006 . 1 . . . . 171 Q C . 16035 1 692 . 1 1 149 149 GLN CA C 13 54.391 0.034 . 1 . . . . 171 Q CA . 16035 1 693 . 1 1 149 149 GLN CB C 13 31.088 0.022 . 1 . . . . 171 Q CB . 16035 1 694 . 1 1 149 149 GLN N N 15 118.696 0.015 . 1 . . . . 171 Q N . 16035 1 695 . 1 1 150 150 GLN H H 1 8.644 0.001 . 1 . . . . 172 Q H . 16035 1 696 . 1 1 150 150 GLN C C 13 173.448 0.007 . 1 . . . . 172 Q C . 16035 1 697 . 1 1 150 150 GLN CA C 13 54.559 0.039 . 1 . . . . 172 Q CA . 16035 1 698 . 1 1 150 150 GLN CB C 13 31.47 0.039 . 1 . . . . 172 Q CB . 16035 1 699 . 1 1 150 150 GLN N N 15 118.414 0.022 . 1 . . . . 172 Q N . 16035 1 700 . 1 1 151 151 ALA H H 1 9.145 0.001 . 1 . . . . 173 A H . 16035 1 701 . 1 1 151 151 ALA C C 13 177.173 0.024 . 1 . . . . 173 A C . 16035 1 702 . 1 1 151 151 ALA CA C 13 50.077 0.047 . 1 . . . . 173 A CA . 16035 1 703 . 1 1 151 151 ALA CB C 13 20.171 0.024 . 1 . . . . 173 A CB . 16035 1 704 . 1 1 151 151 ALA N N 15 123.23 0.011 . 1 . . . . 173 A N . 16035 1 705 . 1 1 152 152 VAL H H 1 9.313 0.001 . 1 . . . . 174 V H . 16035 1 706 . 1 1 152 152 VAL C C 13 175.706 0.012 . 1 . . . . 174 V C . 16035 1 707 . 1 1 152 152 VAL CA C 13 60.867 0.093 . 1 . . . . 174 V CA . 16035 1 708 . 1 1 152 152 VAL CB C 13 31.865 0.037 . 1 . . . . 174 V CB . 16035 1 709 . 1 1 152 152 VAL N N 15 124.657 0.015 . 1 . . . . 174 V N . 16035 1 710 . 1 1 153 153 THR H H 1 9.484 0.006 . 1 . . . . 175 T H . 16035 1 711 . 1 1 153 153 THR C C 13 173.474 0.007 . 1 . . . . 175 T C . 16035 1 712 . 1 1 153 153 THR CA C 13 60.799 0.064 . 1 . . . . 175 T CA . 16035 1 713 . 1 1 153 153 THR CB C 13 70.238 0.032 . 1 . . . . 175 T CB . 16035 1 714 . 1 1 153 153 THR N N 15 120.778 0.012 . 1 . . . . 175 T N . 16035 1 715 . 1 1 154 154 VAL H H 1 9.341 0.001 . 1 . . . . 176 V H . 16035 1 716 . 1 1 154 154 VAL C C 13 173.109 0.009 . 1 . . . . 176 V C . 16035 1 717 . 1 1 154 154 VAL CA C 13 61.013 0.055 . 1 . . . . 176 V CA . 16035 1 718 . 1 1 154 154 VAL CB C 13 33.9 0.011 . 1 . . . . 176 V CB . 16035 1 719 . 1 1 154 154 VAL N N 15 125.17 0.011 . 1 . . . . 176 V N . 16035 1 720 . 1 1 155 155 LYS H H 1 9.379 0.006 . 1 . . . . 177 K H . 16035 1 721 . 1 1 155 155 LYS C C 13 175.729 0.007 . 1 . . . . 177 K C . 16035 1 722 . 1 1 155 155 LYS CA C 13 53.901 0.051 . 1 . . . . 177 K CA . 16035 1 723 . 1 1 155 155 LYS CB C 13 35.269 0.067 . 1 . . . . 177 K CB . 16035 1 724 . 1 1 155 155 LYS N N 15 128.357 0.033 . 1 . . . . 177 K N . 16035 1 725 . 1 1 156 156 LEU H H 1 9.27 0.006 . 1 . . . . 178 L H . 16035 1 726 . 1 1 156 156 LEU C C 13 174.608 0.006 . 1 . . . . 178 L C . 16035 1 727 . 1 1 156 156 LEU CA C 13 54.036 0.018 . 1 . . . . 178 L CA . 16035 1 728 . 1 1 156 156 LEU CB C 13 42.067 0.040 . 1 . . . . 178 L CB . 16035 1 729 . 1 1 156 156 LEU N N 15 130.123 0.008 . 1 . . . . 178 L N . 16035 1 730 . 1 1 157 157 LEU H H 1 8.586 0.001 . 1 . . . . 179 L H . 16035 1 731 . 1 1 157 157 LEU C C 13 177.44 0.010 . 1 . . . . 179 L C . 16035 1 732 . 1 1 157 157 LEU CA C 13 55.739 0.065 . 1 . . . . 179 L CA . 16035 1 733 . 1 1 157 157 LEU CB C 13 42.054 0.022 . 1 . . . . 179 L CB . 16035 1 734 . 1 1 157 157 LEU N N 15 126.588 0.021 . 1 . . . . 179 L N . 16035 1 735 . 1 1 158 158 ASN H H 1 6.943 0.001 . 1 . . . . 180 N H . 16035 1 736 . 1 1 158 158 ASN C C 13 171.645 0.005 . 1 . . . . 180 N C . 16035 1 737 . 1 1 158 158 ASN CA C 13 53.484 0.034 . 1 . . . . 180 N CA . 16035 1 738 . 1 1 158 158 ASN CB C 13 44.18 0.033 . 1 . . . . 180 N CB . 16035 1 739 . 1 1 158 158 ASN N N 15 110.122 0.009 . 1 . . . . 180 N N . 16035 1 740 . 1 1 159 159 LEU H H 1 9.086 0.001 . 1 . . . . 181 L H . 16035 1 741 . 1 1 159 159 LEU C C 13 174.547 0.003 . 1 . . . . 181 L C . 16035 1 742 . 1 1 159 159 LEU CA C 13 53.906 0.035 . 1 . . . . 181 L CA . 16035 1 743 . 1 1 159 159 LEU CB C 13 44.828 0.066 . 1 . . . . 181 L CB . 16035 1 744 . 1 1 159 159 LEU N N 15 124.811 0.007 . 1 . . . . 181 L N . 16035 1 745 . 1 1 160 160 GLU H H 1 9.379 0.001 . 1 . . . . 182 E H . 16035 1 746 . 1 1 160 160 GLU C C 13 174.496 0.005 . 1 . . . . 182 E C . 16035 1 747 . 1 1 160 160 GLU CA C 13 53.985 0.031 . 1 . . . . 182 E CA . 16035 1 748 . 1 1 160 160 GLU CB C 13 34.66 0.057 . 1 . . . . 182 E CB . 16035 1 749 . 1 1 160 160 GLU N N 15 124.963 0.007 . 1 . . . . 182 E N . 16035 1 750 . 1 1 161 161 GLN H H 1 8.718 0.006 . 1 . . . . 183 Q H . 16035 1 751 . 1 1 161 161 GLN C C 13 175.451 0.007 . 1 . . . . 183 Q C . 16035 1 752 . 1 1 161 161 GLN CA C 13 54.425 0.034 . 1 . . . . 183 Q CA . 16035 1 753 . 1 1 161 161 GLN CB C 13 30.409 0.049 . 1 . . . . 183 Q CB . 16035 1 754 . 1 1 161 161 GLN N N 15 121.266 0.012 . 1 . . . . 183 Q N . 16035 1 755 . 1 1 162 162 ALA H H 1 8.978 0.001 . 1 . . . . 184 A H . 16035 1 756 . 1 1 162 162 ALA C C 13 177.151 0.002 . 1 . . . . 184 A C . 16035 1 757 . 1 1 162 162 ALA CA C 13 52.692 0.033 . 1 . . . . 184 A CA . 16035 1 758 . 1 1 162 162 ALA CB C 13 16.785 0.015 . 1 . . . . 184 A CB . 16035 1 759 . 1 1 162 162 ALA N N 15 132.023 0.009 . 1 . . . . 184 A N . 16035 1 760 . 1 1 163 163 GLY H H 1 8.508 0.001 . 1 . . . . 185 G H . 16035 1 761 . 1 1 163 163 GLY C C 13 173.711 0.006 . 1 . . . . 185 G C . 16035 1 762 . 1 1 163 163 GLY CA C 13 44.835 0.052 . 1 . . . . 185 G CA . 16035 1 763 . 1 1 163 163 GLY N N 15 103.043 0.021 . 1 . . . . 185 G N . 16035 1 764 . 1 1 164 164 LYS H H 1 7.773 0.001 . 1 . . . . 186 K H . 16035 1 765 . 1 1 164 164 LYS C C 13 173.692 0.25 . 1 . . . . 186 K C . 16035 1 766 . 1 1 164 164 LYS CA C 13 52.499 0.019 . 1 . . . . 186 K CA . 16035 1 767 . 1 1 164 164 LYS CB C 13 32.584 0.25 . 1 . . . . 186 K CB . 16035 1 768 . 1 1 164 164 LYS N N 15 121.306 0.014 . 1 . . . . 186 K N . 16035 1 769 . 1 1 165 165 PRO C C 13 177.024 0.25 . 1 . . . . 187 P C . 16035 1 770 . 1 1 165 165 PRO CA C 13 62.845 0.053 . 1 . . . . 187 P CA . 16035 1 771 . 1 1 165 165 PRO CB C 13 31.62 0.25 . 1 . . . . 187 P CB . 16035 1 772 . 1 1 166 166 VAL H H 1 8.491 0.001 . 1 . . . . 188 V H . 16035 1 773 . 1 1 166 166 VAL C C 13 175.127 0.006 . 1 . . . . 188 V C . 16035 1 774 . 1 1 166 166 VAL CA C 13 61.256 0.023 . 1 . . . . 188 V CA . 16035 1 775 . 1 1 166 166 VAL CB C 13 34.215 0.085 . 1 . . . . 188 V CB . 16035 1 776 . 1 1 166 166 VAL N N 15 122.145 0.013 . 1 . . . . 188 V N . 16035 1 777 . 1 1 167 167 ALA H H 1 8.791 0.006 . 1 . . . . 189 A H . 16035 1 778 . 1 1 167 167 ALA C C 13 176.669 0.007 . 1 . . . . 189 A C . 16035 1 779 . 1 1 167 167 ALA CA C 13 50.917 0.045 . 1 . . . . 189 A CA . 16035 1 780 . 1 1 167 167 ALA CB C 13 19.706 0.053 . 1 . . . . 189 A CB . 16035 1 781 . 1 1 167 167 ALA N N 15 125.862 0.008 . 1 . . . . 189 A N . 16035 1 782 . 1 1 168 168 ASP H H 1 7.772 0.001 . 1 . . . . 190 D H . 16035 1 783 . 1 1 168 168 ASP C C 13 176.036 0.006 . 1 . . . . 190 D C . 16035 1 784 . 1 1 168 168 ASP CA C 13 53.875 0.038 . 1 . . . . 190 D CA . 16035 1 785 . 1 1 168 168 ASP CB C 13 41.646 0.032 . 1 . . . . 190 D CB . 16035 1 786 . 1 1 168 168 ASP N N 15 118.498 0.017 . 1 . . . . 190 D N . 16035 1 787 . 1 1 169 169 ALA H H 1 8.863 0.001 . 1 . . . . 191 A H . 16035 1 788 . 1 1 169 169 ALA C C 13 180.065 0.005 . 1 . . . . 191 A C . 16035 1 789 . 1 1 169 169 ALA CA C 13 55.259 0.050 . 1 . . . . 191 A CA . 16035 1 790 . 1 1 169 169 ALA CB C 13 18.091 0.093 . 1 . . . . 191 A CB . 16035 1 791 . 1 1 169 169 ALA N N 15 126.307 0.010 . 1 . . . . 191 A N . 16035 1 792 . 1 1 170 170 ALA H H 1 8.504 0.001 . 1 . . . . 192 A H . 16035 1 793 . 1 1 170 170 ALA C C 13 181.601 0.006 . 1 . . . . 192 A C . 16035 1 794 . 1 1 170 170 ALA CA C 13 55.11 0.064 . 1 . . . . 192 A CA . 16035 1 795 . 1 1 170 170 ALA CB C 13 17.206 0.056 . 1 . . . . 192 A CB . 16035 1 796 . 1 1 170 170 ALA N N 15 120.15 0.011 . 1 . . . . 192 A N . 16035 1 797 . 1 1 171 171 SER H H 1 8.191 0.001 . 1 . . . . 193 S H . 16035 1 798 . 1 1 171 171 SER C C 13 176.013 0.014 . 1 . . . . 193 S C . 16035 1 799 . 1 1 171 171 SER CA C 13 61.979 0.007 . 1 . . . . 193 S CA . 16035 1 800 . 1 1 171 171 SER N N 15 117.538 0.023 . 1 . . . . 193 S N . 16035 1 801 . 1 1 172 172 MET H H 1 8.201 0.001 . 1 . . . . 194 M H . 16035 1 802 . 1 1 172 172 MET C C 13 178.755 0.009 . 1 . . . . 194 M C . 16035 1 803 . 1 1 172 172 MET CA C 13 58.054 0.042 . 1 . . . . 194 M CA . 16035 1 804 . 1 1 172 172 MET CB C 13 30.783 0.054 . 1 . . . . 194 M CB . 16035 1 805 . 1 1 172 172 MET N N 15 120.294 0.017 . 1 . . . . 194 M N . 16035 1 806 . 1 1 173 173 GLN H H 1 8.283 0.001 . 1 . . . . 195 Q H . 16035 1 807 . 1 1 173 173 GLN C C 13 178.901 0.016 . 1 . . . . 195 Q C . 16035 1 808 . 1 1 173 173 GLN CA C 13 58.343 0.029 . 1 . . . . 195 Q CA . 16035 1 809 . 1 1 173 173 GLN CB C 13 27.351 0.044 . 1 . . . . 195 Q CB . 16035 1 810 . 1 1 173 173 GLN N N 15 119.83 0.013 . 1 . . . . 195 Q N . 16035 1 811 . 1 1 174 174 ARG H H 1 8.012 0.002 . 1 . . . . 196 R H . 16035 1 812 . 1 1 174 174 ARG C C 13 178.829 0.003 . 1 . . . . 196 R C . 16035 1 813 . 1 1 174 174 ARG CA C 13 59.036 0.058 . 1 . . . . 196 R CA . 16035 1 814 . 1 1 174 174 ARG CB C 13 28.706 0.038 . 1 . . . . 196 R CB . 16035 1 815 . 1 1 174 174 ARG N N 15 120.958 0.011 . 1 . . . . 196 R N . 16035 1 816 . 1 1 175 175 TYR H H 1 8.132 0.002 . 1 . . . . 197 Y H . 16035 1 817 . 1 1 175 175 TYR C C 13 179.753 0.014 . 1 . . . . 197 Y C . 16035 1 818 . 1 1 175 175 TYR CA C 13 62.839 0.019 . 1 . . . . 197 Y CA . 16035 1 819 . 1 1 175 175 TYR CB C 13 37.005 0.022 . 1 . . . . 197 Y CB . 16035 1 820 . 1 1 175 175 TYR N N 15 113.175 0.009 . 1 . . . . 197 Y N . 16035 1 821 . 1 1 176 176 SER H H 1 8.665 0.001 . 1 . . . . 198 S H . 16035 1 822 . 1 1 176 176 SER C C 13 175.973 0.25 . 1 . . . . 198 S C . 16035 1 823 . 1 1 176 176 SER CA C 13 62.763 0.026 . 1 . . . . 198 S CA . 16035 1 824 . 1 1 176 176 SER CB C 13 61.573 0.031 . 1 . . . . 198 S CB . 16035 1 825 . 1 1 176 176 SER N N 15 124.03 0.028 . 1 . . . . 198 S N . 16035 1 826 . 1 1 177 177 THR H H 1 7.908 0.002 . 1 . . . . 199 T H . 16035 1 827 . 1 1 177 177 THR C C 13 176.049 0.25 . 1 . . . . 199 T C . 16035 1 828 . 1 1 177 177 THR CA C 13 66.663 0.017 . 1 . . . . 199 T CA . 16035 1 829 . 1 1 177 177 THR CB C 13 67.791 0.032 . 1 . . . . 199 T CB . 16035 1 830 . 1 1 177 177 THR N N 15 120.01 0.010 . 1 . . . . 199 T N . 16035 1 831 . 1 1 178 178 GLU H H 1 7.951 0.001 . 1 . . . . 200 E H . 16035 1 832 . 1 1 178 178 GLU C C 13 178.601 0.005 . 1 . . . . 200 E C . 16035 1 833 . 1 1 178 178 GLU CA C 13 58.959 0.036 . 1 . . . . 200 E CA . 16035 1 834 . 1 1 178 178 GLU CB C 13 27.852 0.097 . 1 . . . . 200 E CB . 16035 1 835 . 1 1 178 178 GLU N N 15 119.915 0.019 . 1 . . . . 200 E N . 16035 1 836 . 1 1 179 179 MET H H 1 6.439 0.001 . 1 . . . . 201 M H . 16035 1 837 . 1 1 179 179 MET C C 13 177.495 0.022 . 1 . . . . 201 M C . 16035 1 838 . 1 1 179 179 MET CA C 13 56.296 0.034 . 1 . . . . 201 M CA . 16035 1 839 . 1 1 179 179 MET CB C 13 32.123 0.047 . 1 . . . . 201 M CB . 16035 1 840 . 1 1 179 179 MET N N 15 114.945 0.017 . 1 . . . . 201 M N . 16035 1 841 . 1 1 180 180 MET H H 1 7.924 0.001 . 1 . . . . 202 M H . 16035 1 842 . 1 1 180 180 MET C C 13 177.77 0.006 . 1 . . . . 202 M C . 16035 1 843 . 1 1 180 180 MET CA C 13 58.076 0.073 . 1 . . . . 202 M CA . 16035 1 844 . 1 1 180 180 MET CB C 13 31.753 0.113 . 1 . . . . 202 M CB . 16035 1 845 . 1 1 180 180 MET N N 15 120.389 0.020 . 1 . . . . 202 M N . 16035 1 846 . 1 1 181 181 ASN H H 1 8.824 0.001 . 1 . . . . 203 N H . 16035 1 847 . 1 1 181 181 ASN C C 13 178.6 0.007 . 1 . . . . 203 N C . 16035 1 848 . 1 1 181 181 ASN CA C 13 55.156 0.089 . 1 . . . . 203 N CA . 16035 1 849 . 1 1 181 181 ASN CB C 13 36.803 0.040 . 1 . . . . 203 N CB . 16035 1 850 . 1 1 181 181 ASN N N 15 117.697 0.022 . 1 . . . . 203 N N . 16035 1 851 . 1 1 182 182 VAL H H 1 7.564 0.002 . 1 . . . . 204 V H . 16035 1 852 . 1 1 182 182 VAL C C 13 179.06 0.010 . 1 . . . . 204 V C . 16035 1 853 . 1 1 182 182 VAL CA C 13 66.289 0.075 . 1 . . . . 204 V CA . 16035 1 854 . 1 1 182 182 VAL CB C 13 31.264 0.013 . 1 . . . . 204 V CB . 16035 1 855 . 1 1 182 182 VAL N N 15 121.903 0.018 . 1 . . . . 204 V N . 16035 1 856 . 1 1 183 183 ILE H H 1 7.746 0.001 . 1 . . . . 205 I H . 16035 1 857 . 1 1 183 183 ILE C C 13 177.557 0.009 . 1 . . . . 205 I C . 16035 1 858 . 1 1 183 183 ILE CA C 13 64.913 0.081 . 1 . . . . 205 I CA . 16035 1 859 . 1 1 183 183 ILE CB C 13 37.015 0.032 . 1 . . . . 205 I CB . 16035 1 860 . 1 1 183 183 ILE N N 15 119.781 0.014 . 1 . . . . 205 I N . 16035 1 861 . 1 1 184 184 SER H H 1 9.191 0.001 . 1 . . . . 206 S H . 16035 1 862 . 1 1 184 184 SER C C 13 177.119 0.005 . 1 . . . . 206 S C . 16035 1 863 . 1 1 184 184 SER CA C 13 61.341 0.112 . 1 . . . . 206 S CA . 16035 1 864 . 1 1 184 184 SER CB C 13 62.437 0.046 . 1 . . . . 206 S CB . 16035 1 865 . 1 1 184 184 SER N N 15 114.522 0.013 . 1 . . . . 206 S N . 16035 1 866 . 1 1 185 185 ALA H H 1 7.968 0.001 . 1 . . . . 207 A H . 16035 1 867 . 1 1 185 185 ALA C C 13 180.675 0.016 . 1 . . . . 207 A C . 16035 1 868 . 1 1 185 185 ALA CA C 13 54.382 0.031 . 1 . . . . 207 A CA . 16035 1 869 . 1 1 185 185 ALA CB C 13 17.449 0.036 . 1 . . . . 207 A CB . 16035 1 870 . 1 1 185 185 ALA N N 15 121.685 0.015 . 1 . . . . 207 A N . 16035 1 871 . 1 1 186 186 GLY H H 1 7.907 0.001 . 1 . . . . 208 G H . 16035 1 872 . 1 1 186 186 GLY C C 13 175.952 0.027 . 1 . . . . 208 G C . 16035 1 873 . 1 1 186 186 GLY CA C 13 46.293 0.102 . 1 . . . . 208 G CA . 16035 1 874 . 1 1 186 186 GLY N N 15 105.184 0.020 . 1 . . . . 208 G N . 16035 1 875 . 1 1 187 187 LEU H H 1 8.247 0.003 . 1 . . . . 209 L H . 16035 1 876 . 1 1 187 187 LEU C C 13 178.612 0.006 . 1 . . . . 209 L C . 16035 1 877 . 1 1 187 187 LEU CA C 13 56.01 0.029 . 1 . . . . 209 L CA . 16035 1 878 . 1 1 187 187 LEU CB C 13 41.332 0.25 . 1 . . . . 209 L CB . 16035 1 879 . 1 1 187 187 LEU N N 15 121.963 0.010 . 1 . . . . 209 L N . 16035 1 880 . 1 1 188 188 ASP H H 1 8.025 0.003 . 1 . . . . 210 D H . 16035 1 881 . 1 1 188 188 ASP C C 13 177.539 0.007 . 1 . . . . 210 D C . 16035 1 882 . 1 1 188 188 ASP CA C 13 55.594 0.060 . 1 . . . . 210 D CA . 16035 1 883 . 1 1 188 188 ASP CB C 13 40.506 0.098 . 1 . . . . 210 D CB . 16035 1 884 . 1 1 188 188 ASP N N 15 119.968 0.029 . 1 . . . . 210 D N . 16035 1 885 . 1 1 189 189 LYS H H 1 8.016 0.001 . 1 . . . . 211 K H . 16035 1 886 . 1 1 189 189 LYS C C 13 177.598 0.013 . 1 . . . . 211 K C . 16035 1 887 . 1 1 189 189 LYS CA C 13 57.118 0.060 . 1 . . . . 211 K CA . 16035 1 888 . 1 1 189 189 LYS CB C 13 31.655 0.038 . 1 . . . . 211 K CB . 16035 1 889 . 1 1 189 189 LYS N N 15 120.948 0.007 . 1 . . . . 211 K N . 16035 1 890 . 1 1 190 190 SER H H 1 8.199 0.001 . 1 . . . . 212 S H . 16035 1 891 . 1 1 190 190 SER C C 13 175.698 0.009 . 1 . . . . 212 S C . 16035 1 892 . 1 1 190 190 SER CA C 13 59.592 0.037 . 1 . . . . 212 S CA . 16035 1 893 . 1 1 190 190 SER CB C 13 63.05 0.095 . 1 . . . . 212 S CB . 16035 1 894 . 1 1 190 190 SER N N 15 114.96 0.015 . 1 . . . . 212 S N . 16035 1 895 . 1 1 191 191 ALA H H 1 8.14 0.001 . 1 . . . . 213 A H . 16035 1 896 . 1 1 191 191 ALA C C 13 179.155 0.008 . 1 . . . . 213 A C . 16035 1 897 . 1 1 191 191 ALA CA C 13 53.328 0.030 . 1 . . . . 213 A CA . 16035 1 898 . 1 1 191 191 ALA CB C 13 18.261 0.049 . 1 . . . . 213 A CB . 16035 1 899 . 1 1 191 191 ALA N N 15 124.785 0.010 . 1 . . . . 213 A N . 16035 1 900 . 1 1 192 192 THR H H 1 8.115 0.006 . 1 . . . . 214 T H . 16035 1 901 . 1 1 192 192 THR C C 13 175.367 0.018 . 1 . . . . 214 T C . 16035 1 902 . 1 1 192 192 THR CA C 13 63.091 0.033 . 1 . . . . 214 T CA . 16035 1 903 . 1 1 192 192 THR CB C 13 68.985 0.045 . 1 . . . . 214 T CB . 16035 1 904 . 1 1 192 192 THR N N 15 113.447 0.015 . 1 . . . . 214 T N . 16035 1 905 . 1 1 193 193 ASP H H 1 8.386 0.002 . 1 . . . . 215 D H . 16035 1 906 . 1 1 193 193 ASP C C 13 177.475 0.006 . 1 . . . . 215 D C . 16035 1 907 . 1 1 193 193 ASP CA C 13 55.2 0.032 . 1 . . . . 215 D CA . 16035 1 908 . 1 1 193 193 ASP CB C 13 40.172 0.069 . 1 . . . . 215 D CB . 16035 1 909 . 1 1 193 193 ASP N N 15 122.61 0.041 . 1 . . . . 215 D N . 16035 1 910 . 1 1 194 194 ALA H H 1 8.17 0.001 . 1 . . . . 216 A H . 16035 1 911 . 1 1 194 194 ALA C C 13 178.975 0.010 . 1 . . . . 216 A C . 16035 1 912 . 1 1 194 194 ALA CA C 13 53.413 0.031 . 1 . . . . 216 A CA . 16035 1 913 . 1 1 194 194 ALA CB C 13 18.087 0.108 . 1 . . . . 216 A CB . 16035 1 914 . 1 1 194 194 ALA N N 15 123.614 0.010 . 1 . . . . 216 A N . 16035 1 915 . 1 1 195 195 ALA H H 1 8.147 0.001 . 1 . . . . 217 A H . 16035 1 916 . 1 1 195 195 ALA C C 13 178.85 0.003 . 1 . . . . 217 A C . 16035 1 917 . 1 1 195 195 ALA CA C 13 53.286 0.032 . 1 . . . . 217 A CA . 16035 1 918 . 1 1 195 195 ALA CB C 13 18.014 0.096 . 1 . . . . 217 A CB . 16035 1 919 . 1 1 195 195 ALA N N 15 121.593 0.009 . 1 . . . . 217 A N . 16035 1 920 . 1 1 196 196 ASN H H 1 8.176 0.001 . 1 . . . . 218 N H . 16035 1 921 . 1 1 196 196 ASN C C 13 176.034 0.007 . 1 . . . . 218 N C . 16035 1 922 . 1 1 196 196 ASN CA C 13 53.664 0.030 . 1 . . . . 218 N CA . 16035 1 923 . 1 1 196 196 ASN CB C 13 38.24 0.039 . 1 . . . . 218 N CB . 16035 1 924 . 1 1 196 196 ASN N N 15 116.722 0.009 . 1 . . . . 218 N N . 16035 1 925 . 1 1 197 197 ALA H H 1 8.066 0.001 . 1 . . . . 219 A H . 16035 1 926 . 1 1 197 197 ALA C C 13 178.447 0.009 . 1 . . . . 219 A C . 16035 1 927 . 1 1 197 197 ALA CA C 13 53.151 0.036 . 1 . . . . 219 A CA . 16035 1 928 . 1 1 197 197 ALA CB C 13 18.202 0.092 . 1 . . . . 219 A CB . 16035 1 929 . 1 1 197 197 ALA N N 15 123.376 0.008 . 1 . . . . 219 A N . 16035 1 930 . 1 1 198 198 ALA H H 1 8.102 0.002 . 1 . . . . 220 A H . 16035 1 931 . 1 1 198 198 ALA C C 13 178.543 0.017 . 1 . . . . 220 A C . 16035 1 932 . 1 1 198 198 ALA CA C 13 52.907 0.026 . 1 . . . . 220 A CA . 16035 1 933 . 1 1 198 198 ALA CB C 13 18.161 0.091 . 1 . . . . 220 A CB . 16035 1 934 . 1 1 198 198 ALA N N 15 121.352 0.012 . 1 . . . . 220 A N . 16035 1 935 . 1 1 199 199 GLN H H 1 8.109 0.006 . 1 . . . . 221 Q H . 16035 1 936 . 1 1 199 199 GLN C C 13 176.295 0.007 . 1 . . . . 221 Q C . 16035 1 937 . 1 1 199 199 GLN CA C 13 56.036 0.034 . 1 . . . . 221 Q CA . 16035 1 938 . 1 1 199 199 GLN CB C 13 28.497 0.074 . 1 . . . . 221 Q CB . 16035 1 939 . 1 1 199 199 GLN N N 15 117.814 0.013 . 1 . . . . 221 Q N . 16035 1 940 . 1 1 200 200 ASN H H 1 8.274 0.001 . 1 . . . . 222 N H . 16035 1 941 . 1 1 200 200 ASN C C 13 175.471 0.005 . 1 . . . . 222 N C . 16035 1 942 . 1 1 200 200 ASN CA C 13 53.324 0.029 . 1 . . . . 222 N CA . 16035 1 943 . 1 1 200 200 ASN CB C 13 38.3 0.033 . 1 . . . . 222 N CB . 16035 1 944 . 1 1 200 200 ASN N N 15 118.729 0.009 . 1 . . . . 222 N N . 16035 1 945 . 1 1 201 201 ARG H H 1 8.196 0.001 . 1 . . . . 223 R H . 16035 1 946 . 1 1 201 201 ARG C C 13 176.291 0.008 . 1 . . . . 223 R C . 16035 1 947 . 1 1 201 201 ARG CA C 13 56.009 0.050 . 1 . . . . 223 R CA . 16035 1 948 . 1 1 201 201 ARG CB C 13 29.907 0.024 . 1 . . . . 223 R CB . 16035 1 949 . 1 1 201 201 ARG N N 15 121.104 0.009 . 1 . . . . 223 R N . 16035 1 950 . 1 1 202 202 ALA H H 1 8.301 0.001 . 1 . . . . 224 A H . 16035 1 951 . 1 1 202 202 ALA C C 13 177.981 0.007 . 1 . . . . 224 A C . 16035 1 952 . 1 1 202 202 ALA CA C 13 52.394 0.040 . 1 . . . . 224 A CA . 16035 1 953 . 1 1 202 202 ALA CB C 13 18.53 0.030 . 1 . . . . 224 A CB . 16035 1 954 . 1 1 202 202 ALA N N 15 124.366 0.015 . 1 . . . . 224 A N . 16035 1 955 . 1 1 203 203 SER H H 1 8.304 0.006 . 1 . . . . 225 S H . 16035 1 956 . 1 1 203 203 SER C C 13 175.01 0.011 . 1 . . . . 225 S C . 16035 1 957 . 1 1 203 203 SER CA C 13 58.185 0.044 . 1 . . . . 225 S CA . 16035 1 958 . 1 1 203 203 SER CB C 13 63.394 0.079 . 1 . . . . 225 S CB . 16035 1 959 . 1 1 203 203 SER N N 15 114.676 0.009 . 1 . . . . 225 S N . 16035 1 960 . 1 1 204 204 THR H H 1 8.222 0.001 . 1 . . . . 226 T H . 16035 1 961 . 1 1 204 204 THR C C 13 174.752 0.010 . 1 . . . . 226 T C . 16035 1 962 . 1 1 204 204 THR CA C 13 61.376 0.054 . 1 . . . . 226 T CA . 16035 1 963 . 1 1 204 204 THR CB C 13 69.234 0.047 . 1 . . . . 226 T CB . 16035 1 964 . 1 1 204 204 THR N N 15 115.336 0.018 . 1 . . . . 226 T N . 16035 1 965 . 1 1 205 205 THR H H 1 8.099 0.001 . 1 . . . . 227 T H . 16035 1 966 . 1 1 205 205 THR C C 13 174.52 0.015 . 1 . . . . 227 T C . 16035 1 967 . 1 1 205 205 THR CA C 13 61.889 0.040 . 1 . . . . 227 T CA . 16035 1 968 . 1 1 205 205 THR CB C 13 69.432 0.012 . 1 . . . . 227 T CB . 16035 1 969 . 1 1 205 205 THR N N 15 116.985 0.010 . 1 . . . . 227 T N . 16035 1 970 . 1 1 206 206 MET H H 1 8.228 0.002 . 1 . . . . 228 M H . 16035 1 971 . 1 1 206 206 MET C C 13 174.268 0.008 . 1 . . . . 228 M C . 16035 1 972 . 1 1 206 206 MET CA C 13 54.668 0.052 . 1 . . . . 228 M CA . 16035 1 973 . 1 1 206 206 MET CB C 13 32.75 0.133 . 1 . . . . 228 M CB . 16035 1 974 . 1 1 206 206 MET N N 15 121.916 0.033 . 1 . . . . 228 M N . 16035 1 975 . 1 1 207 207 ASP H H 1 8.095 0.002 . 1 . . . . 229 D H . 16035 1 976 . 1 1 207 207 ASP C C 13 175.203 0.007 . 1 . . . . 229 D C . 16035 1 977 . 1 1 207 207 ASP CA C 13 54.311 0.050 . 1 . . . . 229 D CA . 16035 1 978 . 1 1 207 207 ASP CB C 13 41.948 0.107 . 1 . . . . 229 D CB . 16035 1 979 . 1 1 207 207 ASP N N 15 121.294 0.034 . 1 . . . . 229 D N . 16035 1 980 . 1 1 208 208 VAL H H 1 8.308 0.002 . 1 . . . . 230 V H . 16035 1 981 . 1 1 208 208 VAL C C 13 174.343 0.009 . 1 . . . . 230 V C . 16035 1 982 . 1 1 208 208 VAL CA C 13 60.554 0.023 . 1 . . . . 230 V CA . 16035 1 983 . 1 1 208 208 VAL CB C 13 33.9 0.020 . 1 . . . . 230 V CB . 16035 1 984 . 1 1 208 208 VAL N N 15 121.369 0.015 . 1 . . . . 230 V N . 16035 1 985 . 1 1 209 209 GLN H H 1 8.953 0.001 . 1 . . . . 231 Q H . 16035 1 986 . 1 1 209 209 GLN C C 13 174.48 0.016 . 1 . . . . 231 Q C . 16035 1 987 . 1 1 209 209 GLN CA C 13 53.545 0.089 . 1 . . . . 231 Q CA . 16035 1 988 . 1 1 209 209 GLN CB C 13 32.92 0.086 . 1 . . . . 231 Q CB . 16035 1 989 . 1 1 209 209 GLN N N 15 122.217 0.011 . 1 . . . . 231 Q N . 16035 1 990 . 1 1 210 210 SER H H 1 8.905 0.001 . 1 . . . . 232 S H . 16035 1 991 . 1 1 210 210 SER C C 13 174.062 0.007 . 1 . . . . 232 S C . 16035 1 992 . 1 1 210 210 SER CA C 13 57.235 0.085 . 1 . . . . 232 S CA . 16035 1 993 . 1 1 210 210 SER CB C 13 63.603 0.015 . 1 . . . . 232 S CB . 16035 1 994 . 1 1 210 210 SER N N 15 116.109 0.015 . 1 . . . . 232 S N . 16035 1 995 . 1 1 211 211 ALA H H 1 8.747 0.002 . 1 . . . . 233 A H . 16035 1 996 . 1 1 211 211 ALA C C 13 174.911 0.006 . 1 . . . . 233 A C . 16035 1 997 . 1 1 211 211 ALA CA C 13 51.204 0.042 . 1 . . . . 233 A CA . 16035 1 998 . 1 1 211 211 ALA CB C 13 22.456 0.075 . 1 . . . . 233 A CB . 16035 1 999 . 1 1 211 211 ALA N N 15 127.173 0.012 . 1 . . . . 233 A N . 16035 1 1000 . 1 1 212 212 ALA H H 1 8.091 0.001 . 1 . . . . 234 A H . 16035 1 1001 . 1 1 212 212 ALA C C 13 177.013 0.006 . 1 . . . . 234 A C . 16035 1 1002 . 1 1 212 212 ALA CA C 13 50.434 0.046 . 1 . . . . 234 A CA . 16035 1 1003 . 1 1 212 212 ALA CB C 13 20.954 0.088 . 1 . . . . 234 A CB . 16035 1 1004 . 1 1 212 212 ALA N N 15 122.051 0.014 . 1 . . . . 234 A N . 16035 1 1005 . 1 1 213 213 ASP H H 1 9.112 0.006 . 1 . . . . 235 D H . 16035 1 1006 . 1 1 213 213 ASP C C 13 178.091 0.009 . 1 . . . . 235 D C . 16035 1 1007 . 1 1 213 213 ASP CA C 13 52.469 0.045 . 1 . . . . 235 D CA . 16035 1 1008 . 1 1 213 213 ASP CB C 13 40.852 0.041 . 1 . . . . 235 D CB . 16035 1 1009 . 1 1 213 213 ASP N N 15 121.494 0.009 . 1 . . . . 235 D N . 16035 1 1010 . 1 1 214 214 ASP H H 1 8.485 0.006 . 1 . . . . 236 D H . 16035 1 1011 . 1 1 214 214 ASP C C 13 177.561 0.005 . 1 . . . . 236 D C . 16035 1 1012 . 1 1 214 214 ASP CA C 13 56.71 0.049 . 1 . . . . 236 D CA . 16035 1 1013 . 1 1 214 214 ASP CB C 13 39.911 0.109 . 1 . . . . 236 D CB . 16035 1 1014 . 1 1 214 214 ASP N N 15 116.559 0.014 . 1 . . . . 236 D N . 16035 1 1015 . 1 1 215 215 THR H H 1 8.609 0.001 . 1 . . . . 237 T H . 16035 1 1016 . 1 1 215 215 THR C C 13 174.791 0.009 . 1 . . . . 237 T C . 16035 1 1017 . 1 1 215 215 THR CA C 13 60.943 0.046 . 1 . . . . 237 T CA . 16035 1 1018 . 1 1 215 215 THR CB C 13 69.001 0.030 . 1 . . . . 237 T CB . 16035 1 1019 . 1 1 215 215 THR N N 15 110.588 0.018 . 1 . . . . 237 T N . 16035 1 1020 . 1 1 216 216 GLY H H 1 8.239 0.001 . 1 . . . . 238 G H . 16035 1 1021 . 1 1 216 216 GLY C C 13 174.574 0.010 . 1 . . . . 238 G C . 16035 1 1022 . 1 1 216 216 GLY CA C 13 44.732 0.044 . 1 . . . . 238 G CA . 16035 1 1023 . 1 1 216 216 GLY N N 15 109.994 0.015 . 1 . . . . 238 G N . 16035 1 1024 . 1 1 217 217 LEU H H 1 8.437 0.001 . 1 . . . . 239 L H . 16035 1 1025 . 1 1 217 217 LEU C C 13 174.779 0.25 . 1 . . . . 239 L C . 16035 1 1026 . 1 1 217 217 LEU CA C 13 52.49 0.029 . 1 . . . . 239 L CA . 16035 1 1027 . 1 1 217 217 LEU CB C 13 39.51 0.25 . 1 . . . . 239 L CB . 16035 1 1028 . 1 1 217 217 LEU N N 15 124.954 0.008 . 1 . . . . 239 L N . 16035 1 1029 . 1 1 218 218 PRO C C 13 176.663 0.25 . 1 . . . . 240 P C . 16035 1 1030 . 1 1 218 218 PRO CA C 13 62.852 0.083 . 1 . . . . 240 P CA . 16035 1 1031 . 1 1 218 218 PRO CB C 13 31.71 0.25 . 1 . . . . 240 P CB . 16035 1 1032 . 1 1 219 219 MET H H 1 8.65 0.001 . 1 . . . . 241 M H . 16035 1 1033 . 1 1 219 219 MET C C 13 174.056 0.004 . 1 . . . . 241 M C . 16035 1 1034 . 1 1 219 219 MET CA C 13 55.204 0.043 . 1 . . . . 241 M CA . 16035 1 1035 . 1 1 219 219 MET CB C 13 34.868 0.055 . 1 . . . . 241 M CB . 16035 1 1036 . 1 1 219 219 MET N N 15 118.911 0.014 . 1 . . . . 241 M N . 16035 1 1037 . 1 1 220 220 LEU H H 1 9.251 0.001 . 1 . . . . 242 L H . 16035 1 1038 . 1 1 220 220 LEU C C 13 176.583 0.012 . 1 . . . . 242 L C . 16035 1 1039 . 1 1 220 220 LEU CA C 13 53.263 0.037 . 1 . . . . 242 L CA . 16035 1 1040 . 1 1 220 220 LEU CB C 13 43.742 0.028 . 1 . . . . 242 L CB . 16035 1 1041 . 1 1 220 220 LEU N N 15 120.766 0.041 . 1 . . . . 242 L N . 16035 1 1042 . 1 1 221 221 VAL H H 1 9.282 0.001 . 1 . . . . 243 V H . 16035 1 1043 . 1 1 221 221 VAL C C 13 174.783 0.011 . 1 . . . . 243 V C . 16035 1 1044 . 1 1 221 221 VAL CA C 13 60.788 0.073 . 1 . . . . 243 V CA . 16035 1 1045 . 1 1 221 221 VAL CB C 13 33.64 0.036 . 1 . . . . 243 V CB . 16035 1 1046 . 1 1 221 221 VAL N N 15 119.642 0.013 . 1 . . . . 243 V N . 16035 1 1047 . 1 1 222 222 VAL H H 1 9.397 0.001 . 1 . . . . 244 V H . 16035 1 1048 . 1 1 222 222 VAL C C 13 176.742 0.005 . 1 . . . . 244 V C . 16035 1 1049 . 1 1 222 222 VAL CA C 13 59.425 0.060 . 1 . . . . 244 V CA . 16035 1 1050 . 1 1 222 222 VAL CB C 13 33.228 0.057 . 1 . . . . 244 V CB . 16035 1 1051 . 1 1 222 222 VAL N N 15 126.839 0.009 . 1 . . . . 244 V N . 16035 1 1052 . 1 1 223 223 ARG H H 1 8.895 0.001 . 1 . . . . 245 R H . 16035 1 1053 . 1 1 223 223 ARG C C 13 174.223 0.009 . 1 . . . . 245 R C . 16035 1 1054 . 1 1 223 223 ARG CA C 13 55.864 0.066 . 1 . . . . 245 R CA . 16035 1 1055 . 1 1 223 223 ARG CB C 13 27.575 0.061 . 1 . . . . 245 R CB . 16035 1 1056 . 1 1 223 223 ARG N N 15 129.307 0.006 . 1 . . . . 245 R N . 16035 1 1057 . 1 1 224 224 GLY H H 1 8.376 0.006 . 1 . . . . 246 G H . 16035 1 1058 . 1 1 224 224 GLY C C 13 169.225 0.25 . 1 . . . . 246 G C . 16035 1 1059 . 1 1 224 224 GLY CA C 13 44.288 0.042 . 1 . . . . 246 G CA . 16035 1 1060 . 1 1 224 224 GLY N N 15 113.117 0.013 . 1 . . . . 246 G N . 16035 1 1061 . 1 1 225 225 PRO C C 13 176.789 0.001 . 1 . . . . 247 P C . 16035 1 1062 . 1 1 225 225 PRO CA C 13 61.603 0.25 . 1 . . . . 247 P CA . 16035 1 1063 . 1 1 225 225 PRO CB C 13 31.819 0.071 . 1 . . . . 247 P CB . 16035 1 1064 . 1 1 226 226 PHE H H 1 9.242 0.001 . 1 . . . . 248 F H . 16035 1 1065 . 1 1 226 226 PHE C C 13 176.512 0.003 . 1 . . . . 248 F C . 16035 1 1066 . 1 1 226 226 PHE CA C 13 61.861 0.071 . 1 . . . . 248 F CA . 16035 1 1067 . 1 1 226 226 PHE CB C 13 39.27 0.028 . 1 . . . . 248 F CB . 16035 1 1068 . 1 1 226 226 PHE N N 15 124.893 0.009 . 1 . . . . 248 F N . 16035 1 1069 . 1 1 227 227 ASN H H 1 9.238 0.001 . 1 . . . . 249 N H . 16035 1 1070 . 1 1 227 227 ASN C C 13 177.923 0.004 . 1 . . . . 249 N C . 16035 1 1071 . 1 1 227 227 ASN CA C 13 56.476 0.043 . 1 . . . . 249 N CA . 16035 1 1072 . 1 1 227 227 ASN CB C 13 37.239 0.060 . 1 . . . . 249 N CB . 16035 1 1073 . 1 1 227 227 ASN N N 15 113.803 0.011 . 1 . . . . 249 N N . 16035 1 1074 . 1 1 228 228 VAL H H 1 7.099 0.006 . 1 . . . . 250 V H . 16035 1 1075 . 1 1 228 228 VAL C C 13 177.452 0.010 . 1 . . . . 250 V C . 16035 1 1076 . 1 1 228 228 VAL CA C 13 64.715 0.052 . 1 . . . . 250 V CA . 16035 1 1077 . 1 1 228 228 VAL CB C 13 31.878 0.069 . 1 . . . . 250 V CB . 16035 1 1078 . 1 1 228 228 VAL N N 15 118.908 0.014 . 1 . . . . 250 V N . 16035 1 1079 . 1 1 229 229 VAL H H 1 8.176 0.004 . 1 . . . . 251 V H . 16035 1 1080 . 1 1 229 229 VAL C C 13 177.253 0.005 . 1 . . . . 251 V C . 16035 1 1081 . 1 1 229 229 VAL CA C 13 67.465 0.031 . 1 . . . . 251 V CA . 16035 1 1082 . 1 1 229 229 VAL CB C 13 30.784 0.066 . 1 . . . . 251 V CB . 16035 1 1083 . 1 1 229 229 VAL N N 15 121.264 0.014 . 1 . . . . 251 V N . 16035 1 1084 . 1 1 230 230 TRP H H 1 9.253 0.001 . 1 . . . . 252 W H . 16035 1 1085 . 1 1 230 230 TRP C C 13 178.098 0.008 . 1 . . . . 252 W C . 16035 1 1086 . 1 1 230 230 TRP CA C 13 60.868 0.079 . 1 . . . . 252 W CA . 16035 1 1087 . 1 1 230 230 TRP CB C 13 28.453 0.081 . 1 . . . . 252 W CB . 16035 1 1088 . 1 1 230 230 TRP N N 15 117.455 0.007 . 1 . . . . 252 W N . 16035 1 1089 . 1 1 231 231 GLN H H 1 7.005 0.001 . 1 . . . . 253 Q H . 16035 1 1090 . 1 1 231 231 GLN C C 13 178.281 0.013 . 1 . . . . 253 Q C . 16035 1 1091 . 1 1 231 231 GLN CA C 13 57.978 0.051 . 1 . . . . 253 Q CA . 16035 1 1092 . 1 1 231 231 GLN CB C 13 28.369 0.044 . 1 . . . . 253 Q CB . 16035 1 1093 . 1 1 231 231 GLN N N 15 113.518 0.013 . 1 . . . . 253 Q N . 16035 1 1094 . 1 1 232 232 ARG H H 1 7.994 0.006 . 1 . . . . 254 R H . 16035 1 1095 . 1 1 232 232 ARG C C 13 177.769 0.012 . 1 . . . . 254 R C . 16035 1 1096 . 1 1 232 232 ARG CA C 13 56.284 0.019 . 1 . . . . 254 R CA . 16035 1 1097 . 1 1 232 232 ARG CB C 13 30.264 0.053 . 1 . . . . 254 R CB . 16035 1 1098 . 1 1 232 232 ARG N N 15 116.862 0.015 . 1 . . . . 254 R N . 16035 1 1099 . 1 1 233 233 LEU H H 1 7.944 0.001 . 1 . . . . 255 L H . 16035 1 1100 . 1 1 233 233 LEU C C 13 174.791 0.25 . 1 . . . . 255 L C . 16035 1 1101 . 1 1 233 233 LEU CA C 13 59.579 0.068 . 1 . . . . 255 L CA . 16035 1 1102 . 1 1 233 233 LEU CB C 13 39.738 0.25 . 1 . . . . 255 L CB . 16035 1 1103 . 1 1 233 233 LEU N N 15 121.014 0.027 . 1 . . . . 255 L N . 16035 1 1104 . 1 1 234 234 PRO C C 13 178.611 0.25 . 1 . . . . 256 P C . 16035 1 1105 . 1 1 234 234 PRO CA C 13 67.314 0.028 . 1 . . . . 256 P CA . 16035 1 1106 . 1 1 234 234 PRO CB C 13 29.893 0.038 . 1 . . . . 256 P CB . 16035 1 1107 . 1 1 235 235 ALA H H 1 8.064 0.001 . 1 . . . . 257 A H . 16035 1 1108 . 1 1 235 235 ALA C C 13 180.14 0.009 . 1 . . . . 257 A C . 16035 1 1109 . 1 1 235 235 ALA CA C 13 54.182 0.024 . 1 . . . . 257 A CA . 16035 1 1110 . 1 1 235 235 ALA CB C 13 18.09 0.021 . 1 . . . . 257 A CB . 16035 1 1111 . 1 1 235 235 ALA N N 15 117.674 0.022 . 1 . . . . 257 A N . 16035 1 1112 . 1 1 236 236 ALA H H 1 7.479 0.001 . 1 . . . . 258 A H . 16035 1 1113 . 1 1 236 236 ALA C C 13 178.906 0.011 . 1 . . . . 258 A C . 16035 1 1114 . 1 1 236 236 ALA CA C 13 54.759 0.031 . 1 . . . . 258 A CA . 16035 1 1115 . 1 1 236 236 ALA CB C 13 17.625 0.012 . 1 . . . . 258 A CB . 16035 1 1116 . 1 1 236 236 ALA N N 15 121.228 0.013 . 1 . . . . 258 A N . 16035 1 1117 . 1 1 237 237 LEU H H 1 8.937 0.001 . 1 . . . . 259 L H . 16035 1 1118 . 1 1 237 237 LEU C C 13 179.597 0.011 . 1 . . . . 259 L C . 16035 1 1119 . 1 1 237 237 LEU CA C 13 56.951 0.038 . 1 . . . . 259 L CA . 16035 1 1120 . 1 1 237 237 LEU CB C 13 38.953 0.077 . 1 . . . . 259 L CB . 16035 1 1121 . 1 1 237 237 LEU N N 15 115.852 0.015 . 1 . . . . 259 L N . 16035 1 1122 . 1 1 238 238 GLU H H 1 7.666 0.001 . 1 . . . . 260 E H . 16035 1 1123 . 1 1 238 238 GLU C C 13 179.877 0.005 . 1 . . . . 260 E C . 16035 1 1124 . 1 1 238 238 GLU CA C 13 58.907 0.023 . 1 . . . . 260 E CA . 16035 1 1125 . 1 1 238 238 GLU CB C 13 28.592 0.032 . 1 . . . . 260 E CB . 16035 1 1126 . 1 1 238 238 GLU N N 15 118.053 0.020 . 1 . . . . 260 E N . 16035 1 1127 . 1 1 239 239 LYS H H 1 7.324 0.001 . 1 . . . . 261 K H . 16035 1 1128 . 1 1 239 239 LYS C C 13 176.449 0.010 . 1 . . . . 261 K C . 16035 1 1129 . 1 1 239 239 LYS CA C 13 57.737 0.033 . 1 . . . . 261 K CA . 16035 1 1130 . 1 1 239 239 LYS CB C 13 31.747 0.090 . 1 . . . . 261 K CB . 16035 1 1131 . 1 1 239 239 LYS N N 15 117.018 0.019 . 1 . . . . 261 K N . 16035 1 1132 . 1 1 240 240 VAL H H 1 7.257 0.001 . 1 . . . . 262 V H . 16035 1 1133 . 1 1 240 240 VAL C C 13 173.216 0.007 . 1 . . . . 262 V C . 16035 1 1134 . 1 1 240 240 VAL CA C 13 58.882 0.034 . 1 . . . . 262 V CA . 16035 1 1135 . 1 1 240 240 VAL CB C 13 30.361 0.057 . 1 . . . . 262 V CB . 16035 1 1136 . 1 1 240 240 VAL N N 15 109.117 0.013 . 1 . . . . 262 V N . 16035 1 1137 . 1 1 241 241 GLY H H 1 7.043 0.006 . 1 . . . . 263 G H . 16035 1 1138 . 1 1 241 241 GLY C C 13 175.14 0.009 . 1 . . . . 263 G C . 16035 1 1139 . 1 1 241 241 GLY CA C 13 45.062 0.021 . 1 . . . . 263 G CA . 16035 1 1140 . 1 1 241 241 GLY N N 15 101.79 0.026 . 1 . . . . 263 G N . 16035 1 1141 . 1 1 242 242 MET H H 1 8.2 0.001 . 1 . . . . 264 M H . 16035 1 1142 . 1 1 242 242 MET C C 13 173.616 0.007 . 1 . . . . 264 M C . 16035 1 1143 . 1 1 242 242 MET CA C 13 54.93 0.023 . 1 . . . . 264 M CA . 16035 1 1144 . 1 1 242 242 MET CB C 13 33.476 0.038 . 1 . . . . 264 M CB . 16035 1 1145 . 1 1 242 242 MET N N 15 120.222 0.051 . 1 . . . . 264 M N . 16035 1 1146 . 1 1 243 243 LYS H H 1 8.511 0.001 . 1 . . . . 265 K H . 16035 1 1147 . 1 1 243 243 LYS C C 13 176.112 0.002 . 1 . . . . 265 K C . 16035 1 1148 . 1 1 243 243 LYS CA C 13 54.259 0.077 . 1 . . . . 265 K CA . 16035 1 1149 . 1 1 243 243 LYS CB C 13 33.503 0.053 . 1 . . . . 265 K CB . 16035 1 1150 . 1 1 243 243 LYS N N 15 123.046 0.014 . 1 . . . . 265 K N . 16035 1 1151 . 1 1 244 244 VAL H H 1 8.352 0.001 . 1 . . . . 266 V H . 16035 1 1152 . 1 1 244 244 VAL C C 13 177.479 0.008 . 1 . . . . 266 V C . 16035 1 1153 . 1 1 244 244 VAL CA C 13 62.483 0.033 . 1 . . . . 266 V CA . 16035 1 1154 . 1 1 244 244 VAL CB C 13 31.559 0.058 . 1 . . . . 266 V CB . 16035 1 1155 . 1 1 244 244 VAL N N 15 125.745 0.016 . 1 . . . . 266 V N . 16035 1 1156 . 1 1 245 245 THR H H 1 9.345 0.006 . 1 . . . . 267 T H . 16035 1 1157 . 1 1 245 245 THR C C 13 174.775 0.009 . 1 . . . . 267 T C . 16035 1 1158 . 1 1 245 245 THR CA C 13 61.988 0.094 . 1 . . . . 267 T CA . 16035 1 1159 . 1 1 245 245 THR CB C 13 68.596 0.009 . 1 . . . . 267 T CB . 16035 1 1160 . 1 1 245 245 THR N N 15 120.807 0.011 . 1 . . . . 267 T N . 16035 1 1161 . 1 1 246 246 ASP H H 1 7.806 0.006 . 1 . . . . 268 D H . 16035 1 1162 . 1 1 246 246 ASP C C 13 174.27 0.002 . 1 . . . . 268 D C . 16035 1 1163 . 1 1 246 246 ASP CA C 13 54.032 0.026 . 1 . . . . 268 D CA . 16035 1 1164 . 1 1 246 246 ASP CB C 13 43.28 0.053 . 1 . . . . 268 D CB . 16035 1 1165 . 1 1 246 246 ASP N N 15 119.968 0.015 . 1 . . . . 268 D N . 16035 1 1166 . 1 1 247 247 SER H H 1 8.438 0.006 . 1 . . . . 269 S H . 16035 1 1167 . 1 1 247 247 SER C C 13 173.526 0.003 . 1 . . . . 269 S C . 16035 1 1168 . 1 1 247 247 SER CA C 13 58.064 0.049 . 1 . . . . 269 S CA . 16035 1 1169 . 1 1 247 247 SER CB C 13 65.505 0.064 . 1 . . . . 269 S CB . 16035 1 1170 . 1 1 247 247 SER N N 15 114.991 0.013 . 1 . . . . 269 S N . 16035 1 1171 . 1 1 248 248 THR H H 1 9.211 0.006 . 1 . . . . 270 T H . 16035 1 1172 . 1 1 248 248 THR C C 13 175.264 0.004 . 1 . . . . 270 T C . 16035 1 1173 . 1 1 248 248 THR CA C 13 60.394 0.016 . 1 . . . . 270 T CA . 16035 1 1174 . 1 1 248 248 THR CB C 13 69.591 0.027 . 1 . . . . 270 T CB . 16035 1 1175 . 1 1 248 248 THR N N 15 117.607 0.008 . 1 . . . . 270 T N . 16035 1 1176 . 1 1 249 249 ARG H H 1 9.335 0.002 . 1 . . . . 271 R H . 16035 1 1177 . 1 1 249 249 ARG C C 13 178.853 0.008 . 1 . . . . 271 R C . 16035 1 1178 . 1 1 249 249 ARG CA C 13 59.671 0.018 . 1 . . . . 271 R CA . 16035 1 1179 . 1 1 249 249 ARG CB C 13 29.073 0.097 . 1 . . . . 271 R CB . 16035 1 1180 . 1 1 249 249 ARG N N 15 132.052 0.027 . 1 . . . . 271 R N . 16035 1 1181 . 1 1 250 250 SER H H 1 8.819 0.001 . 1 . . . . 272 S H . 16035 1 1182 . 1 1 250 250 SER C C 13 175.051 0.007 . 1 . . . . 272 S C . 16035 1 1183 . 1 1 250 250 SER CA C 13 60.428 0.069 . 1 . . . . 272 S CA . 16035 1 1184 . 1 1 250 250 SER CB C 13 61.701 0.018 . 1 . . . . 272 S CB . 16035 1 1185 . 1 1 250 250 SER N N 15 113.112 0.013 . 1 . . . . 272 S N . 16035 1 1186 . 1 1 251 251 GLN H H 1 6.849 0.001 . 1 . . . . 273 Q H . 16035 1 1187 . 1 1 251 251 GLN C C 13 175.933 0.009 . 1 . . . . 273 Q C . 16035 1 1188 . 1 1 251 251 GLN CA C 13 54.45 0.041 . 1 . . . . 273 Q CA . 16035 1 1189 . 1 1 251 251 GLN CB C 13 29.99 0.020 . 1 . . . . 273 Q CB . 16035 1 1190 . 1 1 251 251 GLN N N 15 116.307 0.012 . 1 . . . . 273 Q N . 16035 1 1191 . 1 1 252 252 GLY H H 1 7.898 0.006 . 1 . . . . 274 G H . 16035 1 1192 . 1 1 252 252 GLY C C 13 172.749 0.006 . 1 . . . . 274 G C . 16035 1 1193 . 1 1 252 252 GLY CA C 13 46.388 0.083 . 1 . . . . 274 G CA . 16035 1 1194 . 1 1 252 252 GLY N N 15 108.881 0.022 . 1 . . . . 274 G N . 16035 1 1195 . 1 1 253 253 ASN H H 1 7.639 0.001 . 1 . . . . 275 N H . 16035 1 1196 . 1 1 253 253 ASN C C 13 174.356 0.008 . 1 . . . . 275 N C . 16035 1 1197 . 1 1 253 253 ASN CA C 13 52.323 0.040 . 1 . . . . 275 N CA . 16035 1 1198 . 1 1 253 253 ASN CB C 13 42.431 0.029 . 1 . . . . 275 N CB . 16035 1 1199 . 1 1 253 253 ASN N N 15 114.895 0.013 . 1 . . . . 275 N N . 16035 1 1200 . 1 1 254 254 MET H H 1 9.324 0.006 . 1 . . . . 276 M H . 16035 1 1201 . 1 1 254 254 MET C C 13 173.322 0.007 . 1 . . . . 276 M C . 16035 1 1202 . 1 1 254 254 MET CA C 13 55.223 0.048 . 1 . . . . 276 M CA . 16035 1 1203 . 1 1 254 254 MET CB C 13 36.063 0.056 . 1 . . . . 276 M CB . 16035 1 1204 . 1 1 254 254 MET N N 15 120.359 0.013 . 1 . . . . 276 M N . 16035 1 1205 . 1 1 255 255 ALA H H 1 8.754 0.002 . 1 . . . . 277 A H . 16035 1 1206 . 1 1 255 255 ALA C C 13 176.343 0.009 . 1 . . . . 277 A C . 16035 1 1207 . 1 1 255 255 ALA CA C 13 51.22 0.034 . 1 . . . . 277 A CA . 16035 1 1208 . 1 1 255 255 ALA CB C 13 19.86 0.063 . 1 . . . . 277 A CB . 16035 1 1209 . 1 1 255 255 ALA N N 15 127.218 0.023 . 1 . . . . 277 A N . 16035 1 1210 . 1 1 256 256 VAL H H 1 8.6 0.001 . 1 . . . . 278 V H . 16035 1 1211 . 1 1 256 256 VAL C C 13 175.354 0.004 . 1 . . . . 278 V C . 16035 1 1212 . 1 1 256 256 VAL CA C 13 58.059 0.068 . 1 . . . . 278 V CA . 16035 1 1213 . 1 1 256 256 VAL CB C 13 35.416 0.037 . 1 . . . . 278 V CB . 16035 1 1214 . 1 1 256 256 VAL N N 15 116.148 0.013 . 1 . . . . 278 V N . 16035 1 1215 . 1 1 257 257 THR H H 1 9.128 0.001 . 1 . . . . 279 T H . 16035 1 1216 . 1 1 257 257 THR C C 13 173.886 0.006 . 1 . . . . 279 T C . 16035 1 1217 . 1 1 257 257 THR CA C 13 61.893 0.015 . 1 . . . . 279 T CA . 16035 1 1218 . 1 1 257 257 THR CB C 13 70.959 0.028 . 1 . . . . 279 T CB . 16035 1 1219 . 1 1 257 257 THR N N 15 120.786 0.005 . 1 . . . . 279 T N . 16035 1 1220 . 1 1 258 258 TYR H H 1 9.836 0.006 . 1 . . . . 280 Y H . 16035 1 1221 . 1 1 258 258 TYR C C 13 174.65 0.011 . 1 . . . . 280 Y C . 16035 1 1222 . 1 1 258 258 TYR CA C 13 55.362 0.030 . 1 . . . . 280 Y CA . 16035 1 1223 . 1 1 258 258 TYR CB C 13 40.997 0.078 . 1 . . . . 280 Y CB . 16035 1 1224 . 1 1 258 258 TYR N N 15 129.328 0.010 . 1 . . . . 280 Y N . 16035 1 1225 . 1 1 259 259 LYS H H 1 8.315 0.001 . 1 . . . . 281 K H . 16035 1 1226 . 1 1 259 259 LYS C C 13 171.887 0.25 . 1 . . . . 281 K C . 16035 1 1227 . 1 1 259 259 LYS CA C 13 52.614 0.004 . 1 . . . . 281 K CA . 16035 1 1228 . 1 1 259 259 LYS CB C 13 33.68 0.25 . 1 . . . . 281 K CB . 16035 1 1229 . 1 1 259 259 LYS N N 15 132.872 0.014 . 1 . . . . 281 K N . 16035 1 1230 . 1 1 260 260 PRO C C 13 176.874 0.001 . 1 . . . . 282 P C . 16035 1 1231 . 1 1 260 260 PRO CA C 13 62.603 0.035 . 1 . . . . 282 P CA . 16035 1 1232 . 1 1 260 260 PRO CB C 13 31.939 0.059 . 1 . . . . 282 P CB . 16035 1 1233 . 1 1 261 261 LEU H H 1 5.983 0.006 . 1 . . . . 283 L H . 16035 1 1234 . 1 1 261 261 LEU C C 13 176.464 0.006 . 1 . . . . 283 L C . 16035 1 1235 . 1 1 261 261 LEU CA C 13 53.766 0.053 . 1 . . . . 283 L CA . 16035 1 1236 . 1 1 261 261 LEU CB C 13 39.826 0.031 . 1 . . . . 283 L CB . 16035 1 1237 . 1 1 261 261 LEU N N 15 119.197 0.019 . 1 . . . . 283 L N . 16035 1 1238 . 1 1 262 262 SER H H 1 8.599 0.006 . 1 . . . . 284 S H . 16035 1 1239 . 1 1 262 262 SER C C 13 174.765 0.008 . 1 . . . . 284 S C . 16035 1 1240 . 1 1 262 262 SER CA C 13 57.198 0.057 . 1 . . . . 284 S CA . 16035 1 1241 . 1 1 262 262 SER CB C 13 64.365 0.072 . 1 . . . . 284 S CB . 16035 1 1242 . 1 1 262 262 SER N N 15 114.901 0.015 . 1 . . . . 284 S N . 16035 1 1243 . 1 1 263 263 ASP H H 1 8.963 0.001 . 1 . . . . 285 D H . 16035 1 1244 . 1 1 263 263 ASP C C 13 179.324 0.005 . 1 . . . . 285 D C . 16035 1 1245 . 1 1 263 263 ASP CA C 13 58.286 0.025 . 1 . . . . 285 D CA . 16035 1 1246 . 1 1 263 263 ASP CB C 13 40.081 0.032 . 1 . . . . 285 D CB . 16035 1 1247 . 1 1 263 263 ASP N N 15 120.913 0.012 . 1 . . . . 285 D N . 16035 1 1248 . 1 1 264 264 SER H H 1 8.54 0.001 . 1 . . . . 286 S H . 16035 1 1249 . 1 1 264 264 SER C C 13 176.792 0.009 . 1 . . . . 286 S C . 16035 1 1250 . 1 1 264 264 SER CA C 13 61.056 0.056 . 1 . . . . 286 S CA . 16035 1 1251 . 1 1 264 264 SER CB C 13 62.072 0.119 . 1 . . . . 286 S CB . 16035 1 1252 . 1 1 264 264 SER N N 15 113.7 0.015 . 1 . . . . 286 S N . 16035 1 1253 . 1 1 265 265 ASP H H 1 7.735 0.001 . 1 . . . . 287 D H . 16035 1 1254 . 1 1 265 265 ASP C C 13 180.276 0.010 . 1 . . . . 287 D C . 16035 1 1255 . 1 1 265 265 ASP CA C 13 56.94 0.026 . 1 . . . . 287 D CA . 16035 1 1256 . 1 1 265 265 ASP CB C 13 39.893 0.041 . 1 . . . . 287 D CB . 16035 1 1257 . 1 1 265 265 ASP N N 15 124.026 0.015 . 1 . . . . 287 D N . 16035 1 1258 . 1 1 266 266 TRP H H 1 8.519 0.001 . 1 . . . . 288 W H . 16035 1 1259 . 1 1 266 266 TRP C C 13 179.112 0.008 . 1 . . . . 288 W C . 16035 1 1260 . 1 1 266 266 TRP CA C 13 60.394 0.013 . 1 . . . . 288 W CA . 16035 1 1261 . 1 1 266 266 TRP CB C 13 28.947 0.086 . 1 . . . . 288 W CB . 16035 1 1262 . 1 1 266 266 TRP N N 15 122.759 0.009 . 1 . . . . 288 W N . 16035 1 1263 . 1 1 267 267 GLN H H 1 7.99 0.001 . 1 . . . . 289 Q H . 16035 1 1264 . 1 1 267 267 GLN C C 13 179.524 0.008 . 1 . . . . 289 Q C . 16035 1 1265 . 1 1 267 267 GLN CA C 13 58.609 0.066 . 1 . . . . 289 Q CA . 16035 1 1266 . 1 1 267 267 GLN CB C 13 27.441 0.061 . 1 . . . . 289 Q CB . 16035 1 1267 . 1 1 267 267 GLN N N 15 117.861 0.013 . 1 . . . . 289 Q N . 16035 1 1268 . 1 1 268 268 GLU H H 1 7.931 0.001 . 1 . . . . 290 E H . 16035 1 1269 . 1 1 268 268 GLU C C 13 178.263 0.006 . 1 . . . . 290 E C . 16035 1 1270 . 1 1 268 268 GLU CA C 13 58.45 0.063 . 1 . . . . 290 E CA . 16035 1 1271 . 1 1 268 268 GLU CB C 13 28.696 0.049 . 1 . . . . 290 E CB . 16035 1 1272 . 1 1 268 268 GLU N N 15 119.715 0.009 . 1 . . . . 290 E N . 16035 1 1273 . 1 1 269 269 LEU H H 1 7.761 0.006 . 1 . . . . 291 L H . 16035 1 1274 . 1 1 269 269 LEU C C 13 176.919 0.006 . 1 . . . . 291 L C . 16035 1 1275 . 1 1 269 269 LEU CA C 13 56.433 0.046 . 1 . . . . 291 L CA . 16035 1 1276 . 1 1 269 269 LEU CB C 13 41.462 0.047 . 1 . . . . 291 L CB . 16035 1 1277 . 1 1 269 269 LEU N N 15 119.425 0.011 . 1 . . . . 291 L N . 16035 1 1278 . 1 1 270 270 GLY H H 1 8.035 0.001 . 1 . . . . 292 G H . 16035 1 1279 . 1 1 270 270 GLY C C 13 174.042 0.011 . 1 . . . . 292 G C . 16035 1 1280 . 1 1 270 270 GLY CA C 13 44.55 0.041 . 1 . . . . 292 G CA . 16035 1 1281 . 1 1 270 270 GLY N N 15 103.777 0.020 . 1 . . . . 292 G N . 16035 1 1282 . 1 1 271 271 ALA H H 1 7.811 0.001 . 1 . . . . 293 A H . 16035 1 1283 . 1 1 271 271 ALA C C 13 174.304 0.006 . 1 . . . . 293 A C . 16035 1 1284 . 1 1 271 271 ALA CA C 13 50.117 0.046 . 1 . . . . 293 A CA . 16035 1 1285 . 1 1 271 271 ALA CB C 13 21.519 0.037 . 1 . . . . 293 A CB . 16035 1 1286 . 1 1 271 271 ALA N N 15 121.607 0.014 . 1 . . . . 293 A N . 16035 1 1287 . 1 1 272 272 SER H H 1 7.645 0.001 . 1 . . . . 294 S H . 16035 1 1288 . 1 1 272 272 SER C C 13 172.273 0.006 . 1 . . . . 294 S C . 16035 1 1289 . 1 1 272 272 SER CA C 13 57.039 0.043 . 1 . . . . 294 S CA . 16035 1 1290 . 1 1 272 272 SER CB C 13 64.059 0.019 . 1 . . . . 294 S CB . 16035 1 1291 . 1 1 272 272 SER N N 15 112.704 0.016 . 1 . . . . 294 S N . 16035 1 1292 . 1 1 273 273 ASP H H 1 7.783 0.006 . 1 . . . . 295 D H . 16035 1 1293 . 1 1 273 273 ASP C C 13 176.357 0.25 . 1 . . . . 295 D C . 16035 1 1294 . 1 1 273 273 ASP CA C 13 51.102 0.25 . 1 . . . . 295 D CA . 16035 1 1295 . 1 1 273 273 ASP CB C 13 40.928 0.25 . 1 . . . . 295 D CB . 16035 1 1296 . 1 1 273 273 ASP N N 15 122.255 0.010 . 1 . . . . 295 D N . 16035 1 1297 . 1 1 274 274 PRO C C 13 176.732 0.001 . 1 . . . . 296 P C . 16035 1 1298 . 1 1 274 274 PRO CA C 13 62.717 0.057 . 1 . . . . 296 P CA . 16035 1 1299 . 1 1 274 274 PRO CB C 13 31.141 0.011 . 1 . . . . 296 P CB . 16035 1 1300 . 1 1 275 275 GLY H H 1 8.832 0.001 . 1 . . . . 297 G H . 16035 1 1301 . 1 1 275 275 GLY C C 13 175.039 0.004 . 1 . . . . 297 G C . 16035 1 1302 . 1 1 275 275 GLY CA C 13 45.918 0.078 . 1 . . . . 297 G CA . 16035 1 1303 . 1 1 275 275 GLY N N 15 109.851 0.014 . 1 . . . . 297 G N . 16035 1 1304 . 1 1 276 276 LEU H H 1 7.304 0.001 . 1 . . . . 298 L H . 16035 1 1305 . 1 1 276 276 LEU C C 13 177.55 0.009 . 1 . . . . 298 L C . 16035 1 1306 . 1 1 276 276 LEU CA C 13 54.179 0.030 . 1 . . . . 298 L CA . 16035 1 1307 . 1 1 276 276 LEU CB C 13 42.642 0.028 . 1 . . . . 298 L CB . 16035 1 1308 . 1 1 276 276 LEU N N 15 121.033 0.010 . 1 . . . . 298 L N . 16035 1 1309 . 1 1 277 277 ALA H H 1 8.599 0.001 . 1 . . . . 299 A H . 16035 1 1310 . 1 1 277 277 ALA C C 13 179.145 0.009 . 1 . . . . 299 A C . 16035 1 1311 . 1 1 277 277 ALA CA C 13 51.445 0.041 . 1 . . . . 299 A CA . 16035 1 1312 . 1 1 277 277 ALA CB C 13 18.679 0.021 . 1 . . . . 299 A CB . 16035 1 1313 . 1 1 277 277 ALA N N 15 125.457 0.019 . 1 . . . . 299 A N . 16035 1 1314 . 1 1 278 278 SER H H 1 8.855 0.006 . 1 . . . . 300 S H . 16035 1 1315 . 1 1 278 278 SER C C 13 173.7 0.007 . 1 . . . . 300 S C . 16035 1 1316 . 1 1 278 278 SER CA C 13 58.869 0.032 . 1 . . . . 300 S CA . 16035 1 1317 . 1 1 278 278 SER CB C 13 63.553 0.073 . 1 . . . . 300 S CB . 16035 1 1318 . 1 1 278 278 SER N N 15 116.942 0.011 . 1 . . . . 300 S N . 16035 1 1319 . 1 1 279 279 GLY H H 1 8.587 0.001 . 1 . . . . 301 G H . 16035 1 1320 . 1 1 279 279 GLY C C 13 171.709 0.007 . 1 . . . . 301 G C . 16035 1 1321 . 1 1 279 279 GLY CA C 13 44.344 0.063 . 1 . . . . 301 G CA . 16035 1 1322 . 1 1 279 279 GLY N N 15 108.25 0.019 . 1 . . . . 301 G N . 16035 1 1323 . 1 1 280 280 ASP H H 1 8.44 0.001 . 1 . . . . 302 D H . 16035 1 1324 . 1 1 280 280 ASP C C 13 175.348 0.009 . 1 . . . . 302 D C . 16035 1 1325 . 1 1 280 280 ASP CA C 13 54.038 0.021 . 1 . . . . 302 D CA . 16035 1 1326 . 1 1 280 280 ASP CB C 13 40.15 0.045 . 1 . . . . 302 D CB . 16035 1 1327 . 1 1 280 280 ASP N N 15 122.042 0.010 . 1 . . . . 302 D N . 16035 1 1328 . 1 1 281 281 TYR H H 1 9.408 0.006 . 1 . . . . 303 Y H . 16035 1 1329 . 1 1 281 281 TYR C C 13 176.209 0.008 . 1 . . . . 303 Y C . 16035 1 1330 . 1 1 281 281 TYR CA C 13 56.713 0.051 . 1 . . . . 303 Y CA . 16035 1 1331 . 1 1 281 281 TYR CB C 13 42.133 0.055 . 1 . . . . 303 Y CB . 16035 1 1332 . 1 1 281 281 TYR N N 15 120.784 0.009 . 1 . . . . 303 Y N . 16035 1 1333 . 1 1 282 282 LYS H H 1 9.254 0.001 . 1 . . . . 304 K H . 16035 1 1334 . 1 1 282 282 LYS C C 13 174.141 0.010 . 1 . . . . 304 K C . 16035 1 1335 . 1 1 282 282 LYS CA C 13 54.621 0.031 . 1 . . . . 304 K CA . 16035 1 1336 . 1 1 282 282 LYS CB C 13 33.863 0.039 . 1 . . . . 304 K CB . 16035 1 1337 . 1 1 282 282 LYS N N 15 121.327 0.013 . 1 . . . . 304 K N . 16035 1 1338 . 1 1 283 283 LEU H H 1 9.112 0.001 . 1 . . . . 305 L H . 16035 1 1339 . 1 1 283 283 LEU C C 13 174.099 0.009 . 1 . . . . 305 L C . 16035 1 1340 . 1 1 283 283 LEU CA C 13 52.97 0.031 . 1 . . . . 305 L CA . 16035 1 1341 . 1 1 283 283 LEU CB C 13 43.142 0.033 . 1 . . . . 305 L CB . 16035 1 1342 . 1 1 283 283 LEU N N 15 125.047 0.015 . 1 . . . . 305 L N . 16035 1 1343 . 1 1 284 284 GLN H H 1 8.856 0.001 . 1 . . . . 306 Q H . 16035 1 1344 . 1 1 284 284 GLN C C 13 175.533 0.007 . 1 . . . . 306 Q C . 16035 1 1345 . 1 1 284 284 GLN CA C 13 53.742 0.046 . 1 . . . . 306 Q CA . 16035 1 1346 . 1 1 284 284 GLN CB C 13 29.948 0.030 . 1 . . . . 306 Q CB . 16035 1 1347 . 1 1 284 284 GLN N N 15 125.373 0.009 . 1 . . . . 306 Q N . 16035 1 1348 . 1 1 285 285 VAL H H 1 9.919 0.006 . 1 . . . . 307 V H . 16035 1 1349 . 1 1 285 285 VAL C C 13 175.88 0.007 . 1 . . . . 307 V C . 16035 1 1350 . 1 1 285 285 VAL CA C 13 60.021 0.072 . 1 . . . . 307 V CA . 16035 1 1351 . 1 1 285 285 VAL CB C 13 31.908 0.041 . 1 . . . . 307 V CB . 16035 1 1352 . 1 1 285 285 VAL N N 15 131.06 0.010 . 1 . . . . 307 V N . 16035 1 1353 . 1 1 286 286 GLY H H 1 9.406 0.006 . 1 . . . . 308 G H . 16035 1 1354 . 1 1 286 286 GLY C C 13 172.964 0.008 . 1 . . . . 308 G C . 16035 1 1355 . 1 1 286 286 GLY CA C 13 43.547 0.046 . 1 . . . . 308 G CA . 16035 1 1356 . 1 1 286 286 GLY N N 15 116.56 0.012 . 1 . . . . 308 G N . 16035 1 1357 . 1 1 287 287 ASP H H 1 8.578 0.001 . 1 . . . . 309 D H . 16035 1 1358 . 1 1 287 287 ASP C C 13 175.853 0.008 . 1 . . . . 309 D C . 16035 1 1359 . 1 1 287 287 ASP CA C 13 53.42 0.026 . 1 . . . . 309 D CA . 16035 1 1360 . 1 1 287 287 ASP CB C 13 40.48 0.047 . 1 . . . . 309 D CB . 16035 1 1361 . 1 1 287 287 ASP N N 15 121.755 0.010 . 1 . . . . 309 D N . 16035 1 1362 . 1 1 288 288 LEU H H 1 8.222 0.001 . 1 . . . . 310 L H . 16035 1 1363 . 1 1 288 288 LEU C C 13 178.202 0.009 . 1 . . . . 310 L C . 16035 1 1364 . 1 1 288 288 LEU CA C 13 53.492 0.027 . 1 . . . . 310 L CA . 16035 1 1365 . 1 1 288 288 LEU CB C 13 40.723 0.025 . 1 . . . . 310 L CB . 16035 1 1366 . 1 1 288 288 LEU N N 15 129.27 0.019 . 1 . . . . 310 L N . 16035 1 1367 . 1 1 289 289 ASP H H 1 8.877 0.001 . 1 . . . . 311 D H . 16035 1 1368 . 1 1 289 289 ASP C C 13 175.17 0.005 . 1 . . . . 311 D C . 16035 1 1369 . 1 1 289 289 ASP CA C 13 57.788 0.049 . 1 . . . . 311 D CA . 16035 1 1370 . 1 1 289 289 ASP CB C 13 38.349 0.066 . 1 . . . . 311 D CB . 16035 1 1371 . 1 1 289 289 ASP N N 15 116.092 0.013 . 1 . . . . 311 D N . 16035 1 1372 . 1 1 290 290 ASN H H 1 8.842 0.006 . 1 . . . . 312 N H . 16035 1 1373 . 1 1 290 290 ASN C C 13 173.422 0.007 . 1 . . . . 312 N C . 16035 1 1374 . 1 1 290 290 ASN CA C 13 53.351 0.021 . 1 . . . . 312 N CA . 16035 1 1375 . 1 1 290 290 ASN CB C 13 37.262 0.046 . 1 . . . . 312 N CB . 16035 1 1376 . 1 1 290 290 ASN N N 15 119.437 0.010 . 1 . . . . 312 N N . 16035 1 1377 . 1 1 291 291 ARG H H 1 7.523 0.001 . 1 . . . . 313 R H . 16035 1 1378 . 1 1 291 291 ARG C C 13 174.605 0.005 . 1 . . . . 313 R C . 16035 1 1379 . 1 1 291 291 ARG CA C 13 54.205 0.044 . 1 . . . . 313 R CA . 16035 1 1380 . 1 1 291 291 ARG CB C 13 32.445 0.037 . 1 . . . . 313 R CB . 16035 1 1381 . 1 1 291 291 ARG N N 15 117.039 0.012 . 1 . . . . 313 R N . 16035 1 1382 . 1 1 292 292 SER H H 1 8.86 0.006 . 1 . . . . 314 S H . 16035 1 1383 . 1 1 292 292 SER C C 13 172.525 0.006 . 1 . . . . 314 S C . 16035 1 1384 . 1 1 292 292 SER CA C 13 57.877 0.045 . 1 . . . . 314 S CA . 16035 1 1385 . 1 1 292 292 SER CB C 13 66.791 0.001 . 1 . . . . 314 S CB . 16035 1 1386 . 1 1 292 292 SER N N 15 113.584 0.014 . 1 . . . . 314 S N . 16035 1 1387 . 1 1 293 293 SER H H 1 9.435 0.001 . 1 . . . . 315 S H . 16035 1 1388 . 1 1 293 293 SER C C 13 173.701 0.008 . 1 . . . . 315 S C . 16035 1 1389 . 1 1 293 293 SER CA C 13 55.452 0.011 . 1 . . . . 315 S CA . 16035 1 1390 . 1 1 293 293 SER CB C 13 66.692 0.027 . 1 . . . . 315 S CB . 16035 1 1391 . 1 1 293 293 SER N N 15 118.703 0.013 . 1 . . . . 315 S N . 16035 1 1392 . 1 1 294 294 LEU H H 1 9.367 0.001 . 1 . . . . 316 L H . 16035 1 1393 . 1 1 294 294 LEU C C 13 175.401 0.028 . 1 . . . . 316 L C . 16035 1 1394 . 1 1 294 294 LEU CA C 13 53.376 0.023 . 1 . . . . 316 L CA . 16035 1 1395 . 1 1 294 294 LEU CB C 13 43.493 0.034 . 1 . . . . 316 L CB . 16035 1 1396 . 1 1 294 294 LEU N N 15 119.003 0.009 . 1 . . . . 316 L N . 16035 1 1397 . 1 1 295 295 GLN H H 1 8.386 0.001 . 1 . . . . 317 Q H . 16035 1 1398 . 1 1 295 295 GLN C C 13 173.952 0.005 . 1 . . . . 317 Q C . 16035 1 1399 . 1 1 295 295 GLN CA C 13 55.122 0.090 . 1 . . . . 317 Q CA . 16035 1 1400 . 1 1 295 295 GLN CB C 13 33.439 0.076 . 1 . . . . 317 Q CB . 16035 1 1401 . 1 1 295 295 GLN N N 15 122.48 0.066 . 1 . . . . 317 Q N . 16035 1 1402 . 1 1 296 296 PHE H H 1 9.097 0.001 . 1 . . . . 318 F H . 16035 1 1403 . 1 1 296 296 PHE C C 13 175.028 0.012 . 1 . . . . 318 F C . 16035 1 1404 . 1 1 296 296 PHE CA C 13 57.768 0.034 . 1 . . . . 318 F CA . 16035 1 1405 . 1 1 296 296 PHE CB C 13 41.792 0.051 . 1 . . . . 318 F CB . 16035 1 1406 . 1 1 296 296 PHE N N 15 125.77 0.012 . 1 . . . . 318 F N . 16035 1 1407 . 1 1 297 297 ILE H H 1 9.365 0.001 . 1 . . . . 319 I H . 16035 1 1408 . 1 1 297 297 ILE C C 13 175.509 0.006 . 1 . . . . 319 I C . 16035 1 1409 . 1 1 297 297 ILE CA C 13 59.744 0.024 . 1 . . . . 319 I CA . 16035 1 1410 . 1 1 297 297 ILE CB C 13 39.106 0.058 . 1 . . . . 319 I CB . 16035 1 1411 . 1 1 297 297 ILE N N 15 121.14 0.018 . 1 . . . . 319 I N . 16035 1 1412 . 1 1 298 298 ASP H H 1 9.132 0.001 . 1 . . . . 320 D H . 16035 1 1413 . 1 1 298 298 ASP C C 13 176.271 0.25 . 1 . . . . 320 D C . 16035 1 1414 . 1 1 298 298 ASP CA C 13 52.812 0.017 . 1 . . . . 320 D CA . 16035 1 1415 . 1 1 298 298 ASP CB C 13 39.891 0.25 . 1 . . . . 320 D CB . 16035 1 1416 . 1 1 298 298 ASP N N 15 127.462 0.012 . 1 . . . . 320 D N . 16035 1 1417 . 1 1 299 299 PRO C C 13 178.148 0.004 . 1 . . . . 321 P C . 16035 1 1418 . 1 1 299 299 PRO CA C 13 64.63 0.004 . 1 . . . . 321 P CA . 16035 1 1419 . 1 1 299 299 PRO CB C 13 31.577 0.25 . 1 . . . . 321 P CB . 16035 1 1420 . 1 1 300 300 LYS H H 1 7.986 0.001 . 1 . . . . 322 K H . 16035 1 1421 . 1 1 300 300 LYS C C 13 176.58 0.010 . 1 . . . . 322 K C . 16035 1 1422 . 1 1 300 300 LYS CA C 13 54.616 0.082 . 1 . . . . 322 K CA . 16035 1 1423 . 1 1 300 300 LYS CB C 13 31.398 0.051 . 1 . . . . 322 K CB . 16035 1 1424 . 1 1 300 300 LYS N N 15 115.174 0.013 . 1 . . . . 322 K N . 16035 1 1425 . 1 1 301 301 GLY H H 1 8.472 0.001 . 1 . . . . 323 G H . 16035 1 1426 . 1 1 301 301 GLY C C 13 174.593 0.009 . 1 . . . . 323 G C . 16035 1 1427 . 1 1 301 301 GLY CA C 13 45.082 0.048 . 1 . . . . 323 G CA . 16035 1 1428 . 1 1 301 301 GLY N N 15 107.662 0.024 . 1 . . . . 323 G N . 16035 1 1429 . 1 1 302 302 HIS H H 1 8.419 0.001 . 1 . . . . 324 H H . 16035 1 1430 . 1 1 302 302 HIS C C 13 175.28 0.011 . 1 . . . . 324 H C . 16035 1 1431 . 1 1 302 302 HIS CA C 13 53.5 0.025 . 1 . . . . 324 H CA . 16035 1 1432 . 1 1 302 302 HIS CB C 13 29.685 0.047 . 1 . . . . 324 H CB . 16035 1 1433 . 1 1 302 302 HIS N N 15 120.284 0.012 . 1 . . . . 324 H N . 16035 1 1434 . 1 1 303 303 THR H H 1 8.306 0.001 . 1 . . . . 325 T H . 16035 1 1435 . 1 1 303 303 THR C C 13 175.996 0.009 . 1 . . . . 325 T C . 16035 1 1436 . 1 1 303 303 THR CA C 13 61.664 0.064 . 1 . . . . 325 T CA . 16035 1 1437 . 1 1 303 303 THR CB C 13 68.985 0.027 . 1 . . . . 325 T CB . 16035 1 1438 . 1 1 303 303 THR N N 15 115.246 0.015 . 1 . . . . 325 T N . 16035 1 1439 . 1 1 304 304 LEU H H 1 7.897 0.001 . 1 . . . . 326 L H . 16035 1 1440 . 1 1 304 304 LEU C C 13 178.898 0.006 . 1 . . . . 326 L C . 16035 1 1441 . 1 1 304 304 LEU CA C 13 55.16 0.049 . 1 . . . . 326 L CA . 16035 1 1442 . 1 1 304 304 LEU CB C 13 40.133 0.029 . 1 . . . . 326 L CB . 16035 1 1443 . 1 1 304 304 LEU N N 15 120.066 0.011 . 1 . . . . 326 L N . 16035 1 1444 . 1 1 305 305 THR H H 1 8.479 0.001 . 1 . . . . 327 T H . 16035 1 1445 . 1 1 305 305 THR C C 13 175.216 0.005 . 1 . . . . 327 T C . 16035 1 1446 . 1 1 305 305 THR CA C 13 60.867 0.069 . 1 . . . . 327 T CA . 16035 1 1447 . 1 1 305 305 THR CB C 13 70.428 0.042 . 1 . . . . 327 T CB . 16035 1 1448 . 1 1 305 305 THR N N 15 110.917 0.023 . 1 . . . . 327 T N . 16035 1 1449 . 1 1 306 306 GLN H H 1 9.152 0.001 . 1 . . . . 328 Q H . 16035 1 1450 . 1 1 306 306 GLN C C 13 177.868 0.006 . 1 . . . . 328 Q C . 16035 1 1451 . 1 1 306 306 GLN CA C 13 59.436 0.072 . 1 . . . . 328 Q CA . 16035 1 1452 . 1 1 306 306 GLN CB C 13 27.875 0.065 . 1 . . . . 328 Q CB . 16035 1 1453 . 1 1 306 306 GLN N N 15 120.863 0.012 . 1 . . . . 328 Q N . 16035 1 1454 . 1 1 307 307 SER H H 1 8.508 0.001 . 1 . . . . 329 S H . 16035 1 1455 . 1 1 307 307 SER C C 13 177.779 0.023 . 1 . . . . 329 S C . 16035 1 1456 . 1 1 307 307 SER CA C 13 61.336 0.034 . 1 . . . . 329 S CA . 16035 1 1457 . 1 1 307 307 SER CB C 13 62.297 0.045 . 1 . . . . 329 S CB . 16035 1 1458 . 1 1 307 307 SER N N 15 111.871 0.016 . 1 . . . . 329 S N . 16035 1 1459 . 1 1 308 308 GLN H H 1 7.517 0.001 . 1 . . . . 330 Q H . 16035 1 1460 . 1 1 308 308 GLN C C 13 177.314 0.009 . 1 . . . . 330 Q C . 16035 1 1461 . 1 1 308 308 GLN CA C 13 58.275 0.017 . 1 . . . . 330 Q CA . 16035 1 1462 . 1 1 308 308 GLN CB C 13 29.241 0.064 . 1 . . . . 330 Q CB . 16035 1 1463 . 1 1 308 308 GLN N N 15 122.241 0.013 . 1 . . . . 330 Q N . 16035 1 1464 . 1 1 309 309 ASN H H 1 8.582 0.006 . 1 . . . . 331 N H . 16035 1 1465 . 1 1 309 309 ASN C C 13 177.322 0.006 . 1 . . . . 331 N C . 16035 1 1466 . 1 1 309 309 ASN CA C 13 57.51 0.037 . 1 . . . . 331 N CA . 16035 1 1467 . 1 1 309 309 ASN CB C 13 40.977 0.035 . 1 . . . . 331 N CB . 16035 1 1468 . 1 1 309 309 ASN N N 15 117.223 0.013 . 1 . . . . 331 N N . 16035 1 1469 . 1 1 310 310 ASP H H 1 8.821 0.001 . 1 . . . . 332 D H . 16035 1 1470 . 1 1 310 310 ASP C C 13 180.018 0.006 . 1 . . . . 332 D C . 16035 1 1471 . 1 1 310 310 ASP CA C 13 57.026 0.047 . 1 . . . . 332 D CA . 16035 1 1472 . 1 1 310 310 ASP CB C 13 39.144 0.028 . 1 . . . . 332 D CB . 16035 1 1473 . 1 1 310 310 ASP N N 15 116.648 0.014 . 1 . . . . 332 D N . 16035 1 1474 . 1 1 311 311 ALA H H 1 7.728 0.001 . 1 . . . . 333 A H . 16035 1 1475 . 1 1 311 311 ALA C C 13 179.142 0.009 . 1 . . . . 333 A C . 16035 1 1476 . 1 1 311 311 ALA CA C 13 54.016 0.025 . 1 . . . . 333 A CA . 16035 1 1477 . 1 1 311 311 ALA CB C 13 18.229 0.089 . 1 . . . . 333 A CB . 16035 1 1478 . 1 1 311 311 ALA N N 15 122.836 0.021 . 1 . . . . 333 A N . 16035 1 1479 . 1 1 312 312 LEU H H 1 7.81 0.001 . 1 . . . . 334 L H . 16035 1 1480 . 1 1 312 312 LEU C C 13 178.452 0.016 . 1 . . . . 334 L C . 16035 1 1481 . 1 1 312 312 LEU CA C 13 55.222 0.062 . 1 . . . . 334 L CA . 16035 1 1482 . 1 1 312 312 LEU CB C 13 41.576 0.054 . 1 . . . . 334 L CB . 16035 1 1483 . 1 1 312 312 LEU N N 15 116.236 0.018 . 1 . . . . 334 L N . 16035 1 1484 . 1 1 313 313 VAL H H 1 7.728 0.001 . 1 . . . . 335 V H . 16035 1 1485 . 1 1 313 313 VAL C C 13 177.624 0.005 . 1 . . . . 335 V C . 16035 1 1486 . 1 1 313 313 VAL CA C 13 67.138 0.064 . 1 . . . . 335 V CA . 16035 1 1487 . 1 1 313 313 VAL CB C 13 30.46 0.055 . 1 . . . . 335 V CB . 16035 1 1488 . 1 1 313 313 VAL N N 15 122.178 0.014 . 1 . . . . 335 V N . 16035 1 1489 . 1 1 314 314 ALA H H 1 8.27 0.002 . 1 . . . . 336 A H . 16035 1 1490 . 1 1 314 314 ALA C C 13 181.123 0.017 . 1 . . . . 336 A C . 16035 1 1491 . 1 1 314 314 ALA CA C 13 54.38 0.073 . 1 . . . . 336 A CA . 16035 1 1492 . 1 1 314 314 ALA CB C 13 18.017 0.098 . 1 . . . . 336 A CB . 16035 1 1493 . 1 1 314 314 ALA N N 15 118.39 0.021 . 1 . . . . 336 A N . 16035 1 1494 . 1 1 315 315 VAL H H 1 6.806 0.006 . 1 . . . . 337 V H . 16035 1 1495 . 1 1 315 315 VAL C C 13 177.053 0.009 . 1 . . . . 337 V C . 16035 1 1496 . 1 1 315 315 VAL CA C 13 65.5 0.086 . 1 . . . . 337 V CA . 16035 1 1497 . 1 1 315 315 VAL CB C 13 31.153 0.015 . 1 . . . . 337 V CB . 16035 1 1498 . 1 1 315 315 VAL N N 15 116.076 0.019 . 1 . . . . 337 V N . 16035 1 1499 . 1 1 316 316 PHE H H 1 8.668 0.001 . 1 . . . . 338 F H . 16035 1 1500 . 1 1 316 316 PHE C C 13 177.906 0.007 . 1 . . . . 338 F C . 16035 1 1501 . 1 1 316 316 PHE CA C 13 62.704 0.057 . 1 . . . . 338 F CA . 16035 1 1502 . 1 1 316 316 PHE CB C 13 37.891 0.051 . 1 . . . . 338 F CB . 16035 1 1503 . 1 1 316 316 PHE N N 15 116.686 0.013 . 1 . . . . 338 F N . 16035 1 1504 . 1 1 317 317 GLN H H 1 9.083 0.001 . 1 . . . . 339 Q H . 16035 1 1505 . 1 1 317 317 GLN C C 13 179.29 0.005 . 1 . . . . 339 Q C . 16035 1 1506 . 1 1 317 317 GLN CA C 13 59.281 0.076 . 1 . . . . 339 Q CA . 16035 1 1507 . 1 1 317 317 GLN CB C 13 27.74 0.025 . 1 . . . . 339 Q CB . 16035 1 1508 . 1 1 317 317 GLN N N 15 121.283 0.009 . 1 . . . . 339 Q N . 16035 1 1509 . 1 1 318 318 ALA H H 1 7.524 0.001 . 1 . . . . 340 A H . 16035 1 1510 . 1 1 318 318 ALA C C 13 180.876 0.007 . 1 . . . . 340 A C . 16035 1 1511 . 1 1 318 318 ALA CA C 13 54.465 0.047 . 1 . . . . 340 A CA . 16035 1 1512 . 1 1 318 318 ALA CB C 13 17.576 0.028 . 1 . . . . 340 A CB . 16035 1 1513 . 1 1 318 318 ALA N N 15 119.785 0.017 . 1 . . . . 340 A N . 16035 1 1514 . 1 1 319 319 ALA H H 1 8.499 0.001 . 1 . . . . 341 A H . 16035 1 1515 . 1 1 319 319 ALA C C 13 179.47 0.005 . 1 . . . . 341 A C . 16035 1 1516 . 1 1 319 319 ALA CA C 13 55.237 0.031 . 1 . . . . 341 A CA . 16035 1 1517 . 1 1 319 319 ALA CB C 13 18.211 0.067 . 1 . . . . 341 A CB . 16035 1 1518 . 1 1 319 319 ALA N N 15 121.088 0.011 . 1 . . . . 341 A N . 16035 1 1519 . 1 1 320 320 PHE H H 1 8.374 0.006 . 1 . . . . 342 F H . 16035 1 1520 . 1 1 320 320 PHE C C 13 176.331 0.006 . 1 . . . . 342 F C . 16035 1 1521 . 1 1 320 320 PHE CA C 13 59.28 0.061 . 1 . . . . 342 F CA . 16035 1 1522 . 1 1 320 320 PHE CB C 13 38.512 0.057 . 1 . . . . 342 F CB . 16035 1 1523 . 1 1 320 320 PHE N N 15 112.088 0.016 . 1 . . . . 342 F N . 16035 1 1524 . 1 1 321 321 SER H H 1 7.663 0.006 . 1 . . . . 343 S H . 16035 1 1525 . 1 1 321 321 SER C C 13 173.61 0.007 . 1 . . . . 343 S C . 16035 1 1526 . 1 1 321 321 SER CA C 13 59.384 0.047 . 1 . . . . 343 S CA . 16035 1 1527 . 1 1 321 321 SER CB C 13 64.182 0.072 . 1 . . . . 343 S CB . 16035 1 1528 . 1 1 321 321 SER N N 15 114.202 0.012 . 1 . . . . 343 S N . 16035 1 1529 . 1 1 322 322 LYS H H 1 7.468 0.006 . 1 . . . . 344 K H . 16035 1 1530 . 1 1 322 322 LYS C C 13 181.287 0.25 . 1 . . . . 344 K C . 16035 1 1531 . 1 1 322 322 LYS CA C 13 57.017 0.036 . 1 . . . . 344 K CA . 16035 1 1532 . 1 1 322 322 LYS CB C 13 32.943 0.25 . 1 . . . . 344 K CB . 16035 1 1533 . 1 1 322 322 LYS N N 15 126.925 0.011 . 1 . . . . 344 K N . 16035 1 stop_ save_