data_15680 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15680 _Entry.Title ; Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34kDa catalytic domain of human PTPN7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-13 _Entry.Accession_date 2008-03-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34kDa catalytic domain of human PTPN7' _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 Mark Jeeves . . . 15680 2 Darren McClelland . M. . 15680 3 Alastair Barr . J. . 15680 4 Michael Overduin . . . 15680 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15680 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 763 15680 '15N chemical shifts' 245 15680 '1H chemical shifts' 248 15680 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-13 2008-03-13 update BMRB 'added PubMed ID' 15680 2 . . 2008-12-02 2008-03-13 update BMRB 'complete entry citation' 15680 1 . . 2008-06-05 2008-03-13 original author 'original release' 15680 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 15680 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636879 _Citation.Full_citation . _Citation.Title 'Sequence-specific 1H, 13C and 15N backbone resonance assignments of the 34 kDa catalytic domain of human PTPN7' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _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 101 _Citation.Page_last 103 _Citation.Year 2008 _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 Mark Jeeves . . . 15680 1 2 Darren McClelland . M. . 15680 1 3 Alastair Barr . J. . 15680 1 4 Michael Overduin . . . 15680 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone resonance assignments' 15680 1 MAPK 15680 1 phosphatase 15680 1 PTPN7 15680 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15680 _Assembly.ID 1 _Assembly.Name 'Phosphatase domain of PTPN7' _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 33737.3 _Assembly.Enzyme_commission_number 3.1.3.48 _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 'Phosphatase domain of PTPN7' 1 $PTPN7 A . yes native no no . . . 15680 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2a3k . . X-ray 2.55 'Crystal structure of protein studied here' . 15680 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTPN7 _Entity.Sf_category entity _Entity.Sf_framecode PTPN7 _Entity.Entry_ID 15680 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTPN7 _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 ; SMNTPREVTLHFLRTAGHPL TRWALQRQPPSPKQLEEEFL KIPSNFVSPEDLDIPGHASK DRYKTILPNPQSRVCLGRAQ SQEDGDYINANYIRGYDGKE KVYIATQGPMPNTVSDFWEM VWQEEVSLIVMLTQLREGKE KCVHYWPTEEETYGPFQIRI QDMKECPEYTVRQLTIQYQE ERRSVKHILFSAWPDHQTPE SAGPLLRLVAEVEESPETAA HPGPIVVHCSAGIGRTGCFI ATRIGCQQLKARGEVDILGI VCQLRLDRGGMIQTAEQYQF LHHTLALYAGQLPEEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; First 2 residues are from the purification tag. PTPN7 specific sequence begins with N65. The full native protein sequence is as follows: mvqahggrsraqpltlslgaamtqpppektpakkhvrlqerrgsnvalmldvrslgavepicsNTPREVTLHFLRTAGHP LTRWALQRQPPSPKQLEEEFLKIPSNFVSPEDLDIPGHASKDRYKTILPNPQSRVCLGRAQSQEDGDYINANYIRGYDGK EKVYIATQGPMPNTVSDFWEMVWQEEVSLIVMLTQLREGKEKCVHYWPTEEETYGPFQIRIQDMKECPEYTVRQLTIQYQ EERRSVKHILFSAWPDHQTPESAGPLLRLVAEVEESPETAAHPGPIVVHCSAGIGRTGCFIATRIGCQQLKARGEVDILG IVCQLRLDRGGMIQTAEQYQFLHHTLALYAGQLPEEP ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 296 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Phosphatase domain of PTPN7' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33737.3 _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 PDB 1ZC0 . "Crystal Structure Of Human Hematopoietic Tyrosine Phosphatase (heptp) Catalytic Domain" . . . . . 99.66 309 100.00 100.00 0.00e+00 . . . . 15680 1 2 no PDB 2A3K . "Crystal Structure Of The Human Protein Tyrosine Phosphatase, Ptpn7 (Heptp, Hematopoietic Protein Tyrosine Phosphatase)" . . . . . 100.00 296 100.00 100.00 0.00e+00 . . . . 15680 1 3 no PDB 2GP0 . "Heptp Catalytic Domain (Residues 44-339), S225d Mutant" . . . . . 99.66 309 99.66 99.66 0.00e+00 . . . . 15680 1 4 no PDB 2HVL . "Crystal Structure Of The Heptp Catalytic Domain C270s Mutant" . . . . . 99.66 309 99.66 99.66 0.00e+00 . . . . 15680 1 5 no PDB 2QDC . "Crystal Structure Of The Heptp Catalytic Domain D236a Mutant" . . . . . 99.66 309 99.66 99.66 0.00e+00 . . . . 15680 1 6 no PDB 2QDM . "Crystal Structure Of The Heptp Catalytic Domain C270sD236AQ314A Mutant" . . . . . 99.66 309 98.98 98.98 0.00e+00 . . . . 15680 1 7 no PDB 2QDP . "Crystal Structure Of The Heptp Catalytic Domain C270s Mutant Crystallized In Ammonium Acetate" . . . . . 99.66 309 99.66 99.66 0.00e+00 . . . . 15680 1 8 no PDB 3D42 . "Crystal Structure Of Heptp In Complex With A Monophosphorylated Erk2 Peptide" . . . . . 99.32 308 99.32 99.32 0.00e+00 . . . . 15680 1 9 no PDB 3D44 . "Crystal Structure Of Heptp In Complex With A Dually Phosphorylated Erk2 Peptide Mimetic" . . . . . 99.32 308 99.32 99.32 0.00e+00 . . . . 15680 1 10 no PDB 3O4S . "Crystal Structure Of Heptp With A Closed Wpd Loop And An Ordered E- Loop" . . . . . 99.32 308 99.66 99.66 0.00e+00 . . . . 15680 1 11 no PDB 3O4T . "Crystal Structure Of Heptp With An Open Wpd Loop And Partially Depleted Active Site" . . . . . 99.32 308 99.66 99.66 0.00e+00 . . . . 15680 1 12 no PDB 3O4U . "Crystal Structure Of Heptp With An Atypically Open Wpd Loop" . . . . . 99.32 308 99.66 99.66 0.00e+00 . . . . 15680 1 13 no DBJ BAA01946 . "protein-tyrosine phosphatase [Homo sapiens]" . . . . . 100.00 360 99.32 99.66 0.00e+00 . . . . 15680 1 14 no DBJ BAG54453 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 465 99.66 100.00 0.00e+00 . . . . 15680 1 15 no DBJ BAG56727 . "unnamed protein product [Homo sapiens]" . . . . . 63.18 189 100.00 100.00 3.29e-133 . . . . 15680 1 16 no DBJ BAG62662 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 308 99.66 100.00 0.00e+00 . . . . 15680 1 17 no DBJ BAG64051 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 434 99.66 100.00 0.00e+00 . . . . 15680 1 18 no GB AAA59531 . "protein tyrosine phosphatase [Homo sapiens]" . . . . . 100.00 339 98.99 99.66 0.00e+00 . . . . 15680 1 19 no GB AAH01746 . "Protein tyrosine phosphatase, non-receptor type 7 [Homo sapiens]" . . . . . 100.00 399 99.66 100.00 0.00e+00 . . . . 15680 1 20 no GB AAM69538 . "dual specificity phosphatase 1 [Homo sapiens]" . . . . . 90.54 293 98.88 99.63 0.00e+00 . . . . 15680 1 21 no GB AAP88850 . "protein tyrosine phosphatase, non-receptor type 7 [Homo sapiens]" . . . . . 100.00 360 99.66 100.00 0.00e+00 . . . . 15680 1 22 no GB AAX32352 . "protein tyrosine phosphatase non-receptor type 7 [synthetic construct]" . . . . . 100.00 360 99.66 100.00 0.00e+00 . . . . 15680 1 23 no REF NP_001186726 . "tyrosine-protein phosphatase non-receptor type 7 isoform 3 [Homo sapiens]" . . . . . 100.00 434 99.66 100.00 0.00e+00 . . . . 15680 1 24 no REF NP_002823 . "tyrosine-protein phosphatase non-receptor type 7 isoform 1 [Homo sapiens]" . . . . . 100.00 465 99.66 100.00 0.00e+00 . . . . 15680 1 25 no REF NP_542155 . "tyrosine-protein phosphatase non-receptor type 7 isoform 2 [Homo sapiens]" . . . . . 100.00 399 99.66 100.00 0.00e+00 . . . . 15680 1 26 no REF XP_001106613 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 7 isoform 3 [Macaca mulatta]" . . . . . 100.00 465 98.31 98.99 0.00e+00 . . . . 15680 1 27 no REF XP_001140385 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 7 isoform X6 [Pan troglodytes]" . . . . . 100.00 445 99.66 100.00 0.00e+00 . . . . 15680 1 28 no SP P35236 . "RecName: Full=Tyrosine-protein phosphatase non-receptor type 7; AltName: Full=Hematopoietic protein-tyrosine phosphatase; Short" . . . . . 100.00 360 99.66 100.00 0.00e+00 . . . . 15680 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Protein tyrosine phosphatase' 15680 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 -2 SER . 15680 1 2 -1 MET . 15680 1 3 65 ASN . 15680 1 4 66 THR . 15680 1 5 67 PRO . 15680 1 6 68 ARG . 15680 1 7 69 GLU . 15680 1 8 70 VAL . 15680 1 9 71 THR . 15680 1 10 72 LEU . 15680 1 11 73 HIS . 15680 1 12 74 PHE . 15680 1 13 75 LEU . 15680 1 14 76 ARG . 15680 1 15 77 THR . 15680 1 16 78 ALA . 15680 1 17 79 GLY . 15680 1 18 80 HIS . 15680 1 19 81 PRO . 15680 1 20 82 LEU . 15680 1 21 83 THR . 15680 1 22 84 ARG . 15680 1 23 85 TRP . 15680 1 24 86 ALA . 15680 1 25 87 LEU . 15680 1 26 88 GLN . 15680 1 27 89 ARG . 15680 1 28 90 GLN . 15680 1 29 91 PRO . 15680 1 30 92 PRO . 15680 1 31 93 SER . 15680 1 32 94 PRO . 15680 1 33 95 LYS . 15680 1 34 96 GLN . 15680 1 35 97 LEU . 15680 1 36 98 GLU . 15680 1 37 99 GLU . 15680 1 38 100 GLU . 15680 1 39 101 PHE . 15680 1 40 102 LEU . 15680 1 41 103 LYS . 15680 1 42 104 ILE . 15680 1 43 105 PRO . 15680 1 44 106 SER . 15680 1 45 107 ASN . 15680 1 46 108 PHE . 15680 1 47 109 VAL . 15680 1 48 110 SER . 15680 1 49 111 PRO . 15680 1 50 112 GLU . 15680 1 51 113 ASP . 15680 1 52 114 LEU . 15680 1 53 115 ASP . 15680 1 54 116 ILE . 15680 1 55 117 PRO . 15680 1 56 118 GLY . 15680 1 57 119 HIS . 15680 1 58 120 ALA . 15680 1 59 121 SER . 15680 1 60 122 LYS . 15680 1 61 123 ASP . 15680 1 62 124 ARG . 15680 1 63 125 TYR . 15680 1 64 126 LYS . 15680 1 65 127 THR . 15680 1 66 128 ILE . 15680 1 67 129 LEU . 15680 1 68 130 PRO . 15680 1 69 131 ASN . 15680 1 70 132 PRO . 15680 1 71 133 GLN . 15680 1 72 134 SER . 15680 1 73 135 ARG . 15680 1 74 136 VAL . 15680 1 75 137 CYS . 15680 1 76 138 LEU . 15680 1 77 139 GLY . 15680 1 78 140 ARG . 15680 1 79 141 ALA . 15680 1 80 142 GLN . 15680 1 81 143 SER . 15680 1 82 144 GLN . 15680 1 83 145 GLU . 15680 1 84 146 ASP . 15680 1 85 147 GLY . 15680 1 86 148 ASP . 15680 1 87 149 TYR . 15680 1 88 150 ILE . 15680 1 89 151 ASN . 15680 1 90 152 ALA . 15680 1 91 153 ASN . 15680 1 92 154 TYR . 15680 1 93 155 ILE . 15680 1 94 156 ARG . 15680 1 95 157 GLY . 15680 1 96 158 TYR . 15680 1 97 159 ASP . 15680 1 98 160 GLY . 15680 1 99 161 LYS . 15680 1 100 162 GLU . 15680 1 101 163 LYS . 15680 1 102 164 VAL . 15680 1 103 165 TYR . 15680 1 104 166 ILE . 15680 1 105 167 ALA . 15680 1 106 168 THR . 15680 1 107 169 GLN . 15680 1 108 170 GLY . 15680 1 109 171 PRO . 15680 1 110 172 MET . 15680 1 111 173 PRO . 15680 1 112 174 ASN . 15680 1 113 175 THR . 15680 1 114 176 VAL . 15680 1 115 177 SER . 15680 1 116 178 ASP . 15680 1 117 179 PHE . 15680 1 118 180 TRP . 15680 1 119 181 GLU . 15680 1 120 182 MET . 15680 1 121 183 VAL . 15680 1 122 184 TRP . 15680 1 123 185 GLN . 15680 1 124 186 GLU . 15680 1 125 187 GLU . 15680 1 126 188 VAL . 15680 1 127 189 SER . 15680 1 128 190 LEU . 15680 1 129 191 ILE . 15680 1 130 192 VAL . 15680 1 131 193 MET . 15680 1 132 194 LEU . 15680 1 133 195 THR . 15680 1 134 196 GLN . 15680 1 135 197 LEU . 15680 1 136 198 ARG . 15680 1 137 199 GLU . 15680 1 138 200 GLY . 15680 1 139 201 LYS . 15680 1 140 202 GLU . 15680 1 141 203 LYS . 15680 1 142 204 CYS . 15680 1 143 205 VAL . 15680 1 144 206 HIS . 15680 1 145 207 TYR . 15680 1 146 208 TRP . 15680 1 147 209 PRO . 15680 1 148 210 THR . 15680 1 149 211 GLU . 15680 1 150 212 GLU . 15680 1 151 213 GLU . 15680 1 152 214 THR . 15680 1 153 215 TYR . 15680 1 154 216 GLY . 15680 1 155 217 PRO . 15680 1 156 218 PHE . 15680 1 157 219 GLN . 15680 1 158 220 ILE . 15680 1 159 221 ARG . 15680 1 160 222 ILE . 15680 1 161 223 GLN . 15680 1 162 224 ASP . 15680 1 163 225 MET . 15680 1 164 226 LYS . 15680 1 165 227 GLU . 15680 1 166 228 CYS . 15680 1 167 229 PRO . 15680 1 168 230 GLU . 15680 1 169 231 TYR . 15680 1 170 232 THR . 15680 1 171 233 VAL . 15680 1 172 234 ARG . 15680 1 173 235 GLN . 15680 1 174 236 LEU . 15680 1 175 237 THR . 15680 1 176 238 ILE . 15680 1 177 239 GLN . 15680 1 178 240 TYR . 15680 1 179 241 GLN . 15680 1 180 242 GLU . 15680 1 181 243 GLU . 15680 1 182 244 ARG . 15680 1 183 245 ARG . 15680 1 184 246 SER . 15680 1 185 247 VAL . 15680 1 186 248 LYS . 15680 1 187 249 HIS . 15680 1 188 250 ILE . 15680 1 189 251 LEU . 15680 1 190 252 PHE . 15680 1 191 253 SER . 15680 1 192 254 ALA . 15680 1 193 255 TRP . 15680 1 194 256 PRO . 15680 1 195 257 ASP . 15680 1 196 258 HIS . 15680 1 197 259 GLN . 15680 1 198 260 THR . 15680 1 199 261 PRO . 15680 1 200 262 GLU . 15680 1 201 263 SER . 15680 1 202 264 ALA . 15680 1 203 265 GLY . 15680 1 204 266 PRO . 15680 1 205 267 LEU . 15680 1 206 268 LEU . 15680 1 207 269 ARG . 15680 1 208 270 LEU . 15680 1 209 271 VAL . 15680 1 210 272 ALA . 15680 1 211 273 GLU . 15680 1 212 274 VAL . 15680 1 213 275 GLU . 15680 1 214 276 GLU . 15680 1 215 277 SER . 15680 1 216 278 PRO . 15680 1 217 279 GLU . 15680 1 218 280 THR . 15680 1 219 281 ALA . 15680 1 220 282 ALA . 15680 1 221 283 HIS . 15680 1 222 284 PRO . 15680 1 223 285 GLY . 15680 1 224 286 PRO . 15680 1 225 287 ILE . 15680 1 226 288 VAL . 15680 1 227 289 VAL . 15680 1 228 290 HIS . 15680 1 229 291 CYS . 15680 1 230 292 SER . 15680 1 231 293 ALA . 15680 1 232 294 GLY . 15680 1 233 295 ILE . 15680 1 234 296 GLY . 15680 1 235 297 ARG . 15680 1 236 298 THR . 15680 1 237 299 GLY . 15680 1 238 300 CYS . 15680 1 239 301 PHE . 15680 1 240 302 ILE . 15680 1 241 303 ALA . 15680 1 242 304 THR . 15680 1 243 305 ARG . 15680 1 244 306 ILE . 15680 1 245 307 GLY . 15680 1 246 308 CYS . 15680 1 247 309 GLN . 15680 1 248 310 GLN . 15680 1 249 311 LEU . 15680 1 250 312 LYS . 15680 1 251 313 ALA . 15680 1 252 314 ARG . 15680 1 253 315 GLY . 15680 1 254 316 GLU . 15680 1 255 317 VAL . 15680 1 256 318 ASP . 15680 1 257 319 ILE . 15680 1 258 320 LEU . 15680 1 259 321 GLY . 15680 1 260 322 ILE . 15680 1 261 323 VAL . 15680 1 262 324 CYS . 15680 1 263 325 GLN . 15680 1 264 326 LEU . 15680 1 265 327 ARG . 15680 1 266 328 LEU . 15680 1 267 329 ASP . 15680 1 268 330 ARG . 15680 1 269 331 GLY . 15680 1 270 332 GLY . 15680 1 271 333 MET . 15680 1 272 334 ILE . 15680 1 273 335 GLN . 15680 1 274 336 THR . 15680 1 275 337 ALA . 15680 1 276 338 GLU . 15680 1 277 339 GLN . 15680 1 278 340 TYR . 15680 1 279 341 GLN . 15680 1 280 342 PHE . 15680 1 281 343 LEU . 15680 1 282 344 HIS . 15680 1 283 345 HIS . 15680 1 284 346 THR . 15680 1 285 347 LEU . 15680 1 286 348 ALA . 15680 1 287 349 LEU . 15680 1 288 350 TYR . 15680 1 289 351 ALA . 15680 1 290 352 GLY . 15680 1 291 353 GLN . 15680 1 292 354 LEU . 15680 1 293 355 PRO . 15680 1 294 356 GLU . 15680 1 295 357 GLU . 15680 1 296 358 PRO . 15680 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 . SER 1 1 15680 1 . MET 2 2 15680 1 . ASN 3 3 15680 1 . THR 4 4 15680 1 . PRO 5 5 15680 1 . ARG 6 6 15680 1 . GLU 7 7 15680 1 . VAL 8 8 15680 1 . THR 9 9 15680 1 . LEU 10 10 15680 1 . HIS 11 11 15680 1 . PHE 12 12 15680 1 . LEU 13 13 15680 1 . ARG 14 14 15680 1 . THR 15 15 15680 1 . ALA 16 16 15680 1 . GLY 17 17 15680 1 . HIS 18 18 15680 1 . PRO 19 19 15680 1 . LEU 20 20 15680 1 . THR 21 21 15680 1 . ARG 22 22 15680 1 . TRP 23 23 15680 1 . ALA 24 24 15680 1 . LEU 25 25 15680 1 . GLN 26 26 15680 1 . ARG 27 27 15680 1 . GLN 28 28 15680 1 . PRO 29 29 15680 1 . PRO 30 30 15680 1 . SER 31 31 15680 1 . PRO 32 32 15680 1 . LYS 33 33 15680 1 . GLN 34 34 15680 1 . LEU 35 35 15680 1 . GLU 36 36 15680 1 . GLU 37 37 15680 1 . GLU 38 38 15680 1 . PHE 39 39 15680 1 . LEU 40 40 15680 1 . LYS 41 41 15680 1 . ILE 42 42 15680 1 . PRO 43 43 15680 1 . SER 44 44 15680 1 . ASN 45 45 15680 1 . PHE 46 46 15680 1 . VAL 47 47 15680 1 . SER 48 48 15680 1 . PRO 49 49 15680 1 . GLU 50 50 15680 1 . ASP 51 51 15680 1 . LEU 52 52 15680 1 . ASP 53 53 15680 1 . ILE 54 54 15680 1 . PRO 55 55 15680 1 . GLY 56 56 15680 1 . HIS 57 57 15680 1 . ALA 58 58 15680 1 . SER 59 59 15680 1 . LYS 60 60 15680 1 . ASP 61 61 15680 1 . ARG 62 62 15680 1 . TYR 63 63 15680 1 . LYS 64 64 15680 1 . THR 65 65 15680 1 . ILE 66 66 15680 1 . LEU 67 67 15680 1 . PRO 68 68 15680 1 . ASN 69 69 15680 1 . PRO 70 70 15680 1 . GLN 71 71 15680 1 . SER 72 72 15680 1 . ARG 73 73 15680 1 . VAL 74 74 15680 1 . CYS 75 75 15680 1 . LEU 76 76 15680 1 . GLY 77 77 15680 1 . ARG 78 78 15680 1 . ALA 79 79 15680 1 . GLN 80 80 15680 1 . SER 81 81 15680 1 . GLN 82 82 15680 1 . GLU 83 83 15680 1 . ASP 84 84 15680 1 . GLY 85 85 15680 1 . ASP 86 86 15680 1 . TYR 87 87 15680 1 . ILE 88 88 15680 1 . ASN 89 89 15680 1 . ALA 90 90 15680 1 . ASN 91 91 15680 1 . TYR 92 92 15680 1 . ILE 93 93 15680 1 . ARG 94 94 15680 1 . GLY 95 95 15680 1 . TYR 96 96 15680 1 . ASP 97 97 15680 1 . GLY 98 98 15680 1 . LYS 99 99 15680 1 . GLU 100 100 15680 1 . LYS 101 101 15680 1 . VAL 102 102 15680 1 . TYR 103 103 15680 1 . ILE 104 104 15680 1 . ALA 105 105 15680 1 . THR 106 106 15680 1 . GLN 107 107 15680 1 . GLY 108 108 15680 1 . PRO 109 109 15680 1 . MET 110 110 15680 1 . PRO 111 111 15680 1 . ASN 112 112 15680 1 . THR 113 113 15680 1 . VAL 114 114 15680 1 . SER 115 115 15680 1 . ASP 116 116 15680 1 . PHE 117 117 15680 1 . TRP 118 118 15680 1 . GLU 119 119 15680 1 . MET 120 120 15680 1 . VAL 121 121 15680 1 . TRP 122 122 15680 1 . GLN 123 123 15680 1 . GLU 124 124 15680 1 . GLU 125 125 15680 1 . VAL 126 126 15680 1 . SER 127 127 15680 1 . LEU 128 128 15680 1 . ILE 129 129 15680 1 . VAL 130 130 15680 1 . MET 131 131 15680 1 . LEU 132 132 15680 1 . THR 133 133 15680 1 . GLN 134 134 15680 1 . LEU 135 135 15680 1 . ARG 136 136 15680 1 . GLU 137 137 15680 1 . GLY 138 138 15680 1 . LYS 139 139 15680 1 . GLU 140 140 15680 1 . LYS 141 141 15680 1 . CYS 142 142 15680 1 . VAL 143 143 15680 1 . HIS 144 144 15680 1 . TYR 145 145 15680 1 . TRP 146 146 15680 1 . PRO 147 147 15680 1 . THR 148 148 15680 1 . GLU 149 149 15680 1 . GLU 150 150 15680 1 . GLU 151 151 15680 1 . THR 152 152 15680 1 . TYR 153 153 15680 1 . GLY 154 154 15680 1 . PRO 155 155 15680 1 . PHE 156 156 15680 1 . GLN 157 157 15680 1 . ILE 158 158 15680 1 . ARG 159 159 15680 1 . ILE 160 160 15680 1 . GLN 161 161 15680 1 . ASP 162 162 15680 1 . MET 163 163 15680 1 . LYS 164 164 15680 1 . GLU 165 165 15680 1 . CYS 166 166 15680 1 . PRO 167 167 15680 1 . GLU 168 168 15680 1 . TYR 169 169 15680 1 . THR 170 170 15680 1 . VAL 171 171 15680 1 . ARG 172 172 15680 1 . GLN 173 173 15680 1 . LEU 174 174 15680 1 . THR 175 175 15680 1 . ILE 176 176 15680 1 . GLN 177 177 15680 1 . TYR 178 178 15680 1 . GLN 179 179 15680 1 . GLU 180 180 15680 1 . GLU 181 181 15680 1 . ARG 182 182 15680 1 . ARG 183 183 15680 1 . SER 184 184 15680 1 . VAL 185 185 15680 1 . LYS 186 186 15680 1 . HIS 187 187 15680 1 . ILE 188 188 15680 1 . LEU 189 189 15680 1 . PHE 190 190 15680 1 . SER 191 191 15680 1 . ALA 192 192 15680 1 . TRP 193 193 15680 1 . PRO 194 194 15680 1 . ASP 195 195 15680 1 . HIS 196 196 15680 1 . GLN 197 197 15680 1 . THR 198 198 15680 1 . PRO 199 199 15680 1 . GLU 200 200 15680 1 . SER 201 201 15680 1 . ALA 202 202 15680 1 . GLY 203 203 15680 1 . PRO 204 204 15680 1 . LEU 205 205 15680 1 . LEU 206 206 15680 1 . ARG 207 207 15680 1 . LEU 208 208 15680 1 . VAL 209 209 15680 1 . ALA 210 210 15680 1 . GLU 211 211 15680 1 . VAL 212 212 15680 1 . GLU 213 213 15680 1 . GLU 214 214 15680 1 . SER 215 215 15680 1 . PRO 216 216 15680 1 . GLU 217 217 15680 1 . THR 218 218 15680 1 . ALA 219 219 15680 1 . ALA 220 220 15680 1 . HIS 221 221 15680 1 . PRO 222 222 15680 1 . GLY 223 223 15680 1 . PRO 224 224 15680 1 . ILE 225 225 15680 1 . VAL 226 226 15680 1 . VAL 227 227 15680 1 . HIS 228 228 15680 1 . CYS 229 229 15680 1 . SER 230 230 15680 1 . ALA 231 231 15680 1 . GLY 232 232 15680 1 . ILE 233 233 15680 1 . GLY 234 234 15680 1 . ARG 235 235 15680 1 . THR 236 236 15680 1 . GLY 237 237 15680 1 . CYS 238 238 15680 1 . PHE 239 239 15680 1 . ILE 240 240 15680 1 . ALA 241 241 15680 1 . THR 242 242 15680 1 . ARG 243 243 15680 1 . ILE 244 244 15680 1 . GLY 245 245 15680 1 . CYS 246 246 15680 1 . GLN 247 247 15680 1 . GLN 248 248 15680 1 . LEU 249 249 15680 1 . LYS 250 250 15680 1 . ALA 251 251 15680 1 . ARG 252 252 15680 1 . GLY 253 253 15680 1 . GLU 254 254 15680 1 . VAL 255 255 15680 1 . ASP 256 256 15680 1 . ILE 257 257 15680 1 . LEU 258 258 15680 1 . GLY 259 259 15680 1 . ILE 260 260 15680 1 . VAL 261 261 15680 1 . CYS 262 262 15680 1 . GLN 263 263 15680 1 . LEU 264 264 15680 1 . ARG 265 265 15680 1 . LEU 266 266 15680 1 . ASP 267 267 15680 1 . ARG 268 268 15680 1 . GLY 269 269 15680 1 . GLY 270 270 15680 1 . MET 271 271 15680 1 . ILE 272 272 15680 1 . GLN 273 273 15680 1 . THR 274 274 15680 1 . ALA 275 275 15680 1 . GLU 276 276 15680 1 . GLN 277 277 15680 1 . TYR 278 278 15680 1 . GLN 279 279 15680 1 . PHE 280 280 15680 1 . LEU 281 281 15680 1 . HIS 282 282 15680 1 . HIS 283 283 15680 1 . THR 284 284 15680 1 . LEU 285 285 15680 1 . ALA 286 286 15680 1 . LEU 287 287 15680 1 . TYR 288 288 15680 1 . ALA 289 289 15680 1 . GLY 290 290 15680 1 . GLN 291 291 15680 1 . LEU 292 292 15680 1 . PRO 293 293 15680 1 . GLU 294 294 15680 1 . GLU 295 295 15680 1 . PRO 296 296 15680 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 15680 _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 $PTPN7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15680 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 15680 _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 $PTPN7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . . . . . . . . . . . pNIC28-Bsa4 . . . . . . 15680 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15680 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _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 'sodium chloride' 'natural abundance' . . 1 $PTPN7 . . 80 . . mM . . . . 15680 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 15680 1 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 15680 1 4 PTPN7 '[U-100% 13C; U-100% 15N; 100% 2H]' . . . . . . 1 . . mM . . . . 15680 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15680 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50% deuterated sample' _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 PTPN7 '[U-100% 13C; U-100% 15N; 50% 2H]' . . 1 $PTPN7 . . 1 . . mM . . . . 15680 2 2 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 15680 2 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 15680 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 15680 2 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 15680 _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 7.2 0.1 pH 15680 1 pressure 1 . atm 15680 1 temperature 298 0.2 K 15680 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15680 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15680 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15680 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15680 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15680 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15680 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15680 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15680 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15680 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15680 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Fitted with cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15680 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15680 _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 . 900 'Fitted with cryogenic probe' . . 15680 1 2 spectrometer_2 Varian INOVA . 900 . . . 15680 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 15680 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15680 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15680 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15680 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 15680 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15680 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15680 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15680 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 15680 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15680 1 2 '3D HNCO' . . . 15680 1 4 '3D HNCACB' . . . 15680 1 5 '3D HN(CO)CA' . . . 15680 1 6 '3D HN(COCA)CB' . . . 15680 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 protons' 1 0.07 . 15680 1 'TROSY offset' 'amide nitrogens' 15 0.7 . 15680 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 2 $SPARKY . . 15680 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN C C 13 173.470 0.04 . 1 . . . . 65 N C . 15680 1 2 . 1 1 3 3 ASN CA C 13 53.266 0.08 . 1 . . . . 65 N CA . 15680 1 3 . 1 1 3 3 ASN CB C 13 38.733 0.08 . 1 . . . . 65 N CB . 15680 1 4 . 1 1 4 4 THR H H 1 8.042 0.005 . 1 . . . . 66 T H . 15680 1 5 . 1 1 4 4 THR CA C 13 60.147 0.08 . 1 . . . . 66 T CA . 15680 1 6 . 1 1 4 4 THR CB C 13 69.074 0.08 . 1 . . . . 66 T CB . 15680 1 7 . 1 1 4 4 THR N N 15 116.025 0.05 . 1 . . . . 66 T N . 15680 1 8 . 1 1 5 5 PRO C C 13 174.647 0.04 . 1 . . . . 67 P C . 15680 1 9 . 1 1 5 5 PRO CA C 13 64.198 0.08 . 1 . . . . 67 P CA . 15680 1 10 . 1 1 5 5 PRO CB C 13 31.218 0.08 . 1 . . . . 67 P CB . 15680 1 11 . 1 1 6 6 ARG H H 1 8.366 0.005 . 1 . . . . 68 R H . 15680 1 12 . 1 1 6 6 ARG C C 13 176.370 0.04 . 1 . . . . 68 R C . 15680 1 13 . 1 1 6 6 ARG CA C 13 58.379 0.08 . 1 . . . . 68 R CA . 15680 1 14 . 1 1 6 6 ARG CB C 13 29.118 0.08 . 1 . . . . 68 R CB . 15680 1 15 . 1 1 6 6 ARG N N 15 121.076 0.05 . 1 . . . . 68 R N . 15680 1 16 . 1 1 7 7 GLU H H 1 8.271 0.005 . 1 . . . . 69 E H . 15680 1 17 . 1 1 7 7 GLU C C 13 177.769 0.04 . 1 . . . . 69 E C . 15680 1 18 . 1 1 7 7 GLU CA C 13 59.058 0.08 . 1 . . . . 69 E CA . 15680 1 19 . 1 1 7 7 GLU CB C 13 28.639 0.08 . 1 . . . . 69 E CB . 15680 1 20 . 1 1 7 7 GLU N N 15 118.430 0.05 . 1 . . . . 69 E N . 15680 1 21 . 1 1 8 8 VAL H H 1 7.746 0.005 . 1 . . . . 70 V H . 15680 1 22 . 1 1 8 8 VAL C C 13 177.340 0.04 . 1 . . . . 70 V C . 15680 1 23 . 1 1 8 8 VAL CA C 13 65.719 0.08 . 1 . . . . 70 V CA . 15680 1 24 . 1 1 8 8 VAL CB C 13 31.057 0.08 . 1 . . . . 70 V CB . 15680 1 25 . 1 1 8 8 VAL N N 15 120.914 0.05 . 1 . . . . 70 V N . 15680 1 26 . 1 1 9 9 THR H H 1 7.844 0.005 . 1 . . . . 71 T H . 15680 1 27 . 1 1 9 9 THR C C 13 174.478 0.04 . 1 . . . . 71 T C . 15680 1 28 . 1 1 9 9 THR CA C 13 65.785 0.08 . 1 . . . . 71 T CA . 15680 1 29 . 1 1 9 9 THR CB C 13 68.238 0.08 . 1 . . . . 71 T CB . 15680 1 30 . 1 1 9 9 THR N N 15 117.710 0.05 . 1 . . . . 71 T N . 15680 1 31 . 1 1 10 10 LEU H H 1 8.100 0.005 . 1 . . . . 72 L H . 15680 1 32 . 1 1 10 10 LEU C C 13 176.949 0.04 . 1 . . . . 72 L C . 15680 1 33 . 1 1 10 10 LEU CA C 13 57.715 0.08 . 1 . . . . 72 L CA . 15680 1 34 . 1 1 10 10 LEU CB C 13 40.516 0.08 . 1 . . . . 72 L CB . 15680 1 35 . 1 1 10 10 LEU N N 15 120.695 0.05 . 1 . . . . 72 L N . 15680 1 36 . 1 1 11 11 HIS H H 1 7.970 0.005 . 1 . . . . 73 H H . 15680 1 37 . 1 1 11 11 HIS C C 13 176.999 0.04 . 1 . . . . 73 H C . 15680 1 38 . 1 1 11 11 HIS CA C 13 60.129 0.08 . 1 . . . . 73 H CA . 15680 1 39 . 1 1 11 11 HIS CB C 13 30.146 0.08 . 1 . . . . 73 H CB . 15680 1 40 . 1 1 11 11 HIS N N 15 117.939 0.05 . 1 . . . . 73 H N . 15680 1 41 . 1 1 12 12 PHE H H 1 7.966 0.005 . 1 . . . . 74 F H . 15680 1 42 . 1 1 12 12 PHE C C 13 175.848 0.04 . 1 . . . . 74 F C . 15680 1 43 . 1 1 12 12 PHE CA C 13 61.723 0.08 . 1 . . . . 74 F CA . 15680 1 44 . 1 1 12 12 PHE CB C 13 38.487 0.08 . 1 . . . . 74 F CB . 15680 1 45 . 1 1 12 12 PHE N N 15 121.167 0.05 . 1 . . . . 74 F N . 15680 1 46 . 1 1 13 13 LEU H H 1 8.066 0.005 . 1 . . . . 75 L H . 15680 1 47 . 1 1 13 13 LEU C C 13 176.843 0.04 . 1 . . . . 75 L C . 15680 1 48 . 1 1 13 13 LEU CA C 13 57.274 0.08 . 1 . . . . 75 L CA . 15680 1 49 . 1 1 13 13 LEU CB C 13 40.310 0.08 . 1 . . . . 75 L CB . 15680 1 50 . 1 1 13 13 LEU N N 15 117.282 0.05 . 1 . . . . 75 L N . 15680 1 51 . 1 1 14 14 ARG H H 1 7.974 0.005 . 1 . . . . 76 R H . 15680 1 52 . 1 1 14 14 ARG C C 13 176.140 0.04 . 1 . . . . 76 R C . 15680 1 53 . 1 1 14 14 ARG CA C 13 57.872 0.08 . 1 . . . . 76 R CA . 15680 1 54 . 1 1 14 14 ARG CB C 13 30.820 0.08 . 1 . . . . 76 R CB . 15680 1 55 . 1 1 14 14 ARG N N 15 113.709 0.05 . 1 . . . . 76 R N . 15680 1 56 . 1 1 15 15 THR H H 1 7.169 0.005 . 1 . . . . 77 T H . 15680 1 57 . 1 1 15 15 THR C C 13 173.391 0.04 . 1 . . . . 77 T C . 15680 1 58 . 1 1 15 15 THR CA C 13 61.835 0.08 . 1 . . . . 77 T CA . 15680 1 59 . 1 1 15 15 THR CB C 13 71.205 0.08 . 1 . . . . 77 T CB . 15680 1 60 . 1 1 15 15 THR N N 15 106.940 0.05 . 1 . . . . 77 T N . 15680 1 61 . 1 1 16 16 ALA H H 1 7.895 0.005 . 1 . . . . 78 A H . 15680 1 62 . 1 1 16 16 ALA C C 13 176.001 0.04 . 1 . . . . 78 A C . 15680 1 63 . 1 1 16 16 ALA CA C 13 52.889 0.08 . 1 . . . . 78 A CA . 15680 1 64 . 1 1 16 16 ALA CB C 13 18.717 0.08 . 1 . . . . 78 A CB . 15680 1 65 . 1 1 16 16 ALA N N 15 127.564 0.05 . 1 . . . . 78 A N . 15680 1 66 . 1 1 17 17 GLY H H 1 7.744 0.005 . 1 . . . . 79 G H . 15680 1 67 . 1 1 17 17 GLY C C 13 171.221 0.04 . 1 . . . . 79 G C . 15680 1 68 . 1 1 17 17 GLY CA C 13 46.460 0.08 . 1 . . . . 79 G CA . 15680 1 69 . 1 1 17 17 GLY N N 15 105.662 0.05 . 1 . . . . 79 G N . 15680 1 70 . 1 1 18 18 HIS H H 1 10.487 0.005 . 1 . . . . 80 H H . 15680 1 71 . 1 1 18 18 HIS CA C 13 52.163 0.08 . 1 . . . . 80 H CA . 15680 1 72 . 1 1 18 18 HIS CB C 13 29.160 0.08 . 1 . . . . 80 H CB . 15680 1 73 . 1 1 18 18 HIS N N 15 121.968 0.05 . 1 . . . . 80 H N . 15680 1 74 . 1 1 19 19 PRO C C 13 174.854 0.04 . 1 . . . . 81 P C . 15680 1 75 . 1 1 19 19 PRO CA C 13 63.778 0.08 . 1 . . . . 81 P CA . 15680 1 76 . 1 1 19 19 PRO CB C 13 31.130 0.08 . 1 . . . . 81 P CB . 15680 1 77 . 1 1 20 20 LEU H H 1 9.058 0.005 . 1 . . . . 82 L H . 15680 1 78 . 1 1 20 20 LEU C C 13 174.982 0.04 . 1 . . . . 82 L C . 15680 1 79 . 1 1 20 20 LEU CA C 13 53.013 0.08 . 1 . . . . 82 L CA . 15680 1 80 . 1 1 20 20 LEU CB C 13 43.999 0.08 . 1 . . . . 82 L CB . 15680 1 81 . 1 1 20 20 LEU N N 15 125.555 0.05 . 1 . . . . 82 L N . 15680 1 82 . 1 1 21 21 THR H H 1 8.100 0.005 . 1 . . . . 83 T H . 15680 1 83 . 1 1 21 21 THR C C 13 172.310 0.04 . 1 . . . . 83 T C . 15680 1 84 . 1 1 21 21 THR CA C 13 61.337 0.08 . 1 . . . . 83 T CA . 15680 1 85 . 1 1 21 21 THR CB C 13 70.933 0.08 . 1 . . . . 83 T CB . 15680 1 86 . 1 1 21 21 THR N N 15 112.402 0.05 . 1 . . . . 83 T N . 15680 1 87 . 1 1 22 22 ARG H H 1 9.342 0.005 . 1 . . . . 84 R H . 15680 1 88 . 1 1 22 22 ARG C C 13 175.178 0.04 . 1 . . . . 84 R C . 15680 1 89 . 1 1 22 22 ARG CA C 13 60.058 0.08 . 1 . . . . 84 R CA . 15680 1 90 . 1 1 22 22 ARG CB C 13 32.951 0.08 . 1 . . . . 84 R CB . 15680 1 91 . 1 1 22 22 ARG N N 15 129.435 0.05 . 1 . . . . 84 R N . 15680 1 92 . 1 1 23 23 TRP H H 1 7.867 0.005 . 1 . . . . 85 W H . 15680 1 93 . 1 1 23 23 TRP C C 13 176.043 0.04 . 1 . . . . 85 W C . 15680 1 94 . 1 1 23 23 TRP CA C 13 60.324 0.08 . 1 . . . . 85 W CA . 15680 1 95 . 1 1 23 23 TRP CB C 13 29.188 0.08 . 1 . . . . 85 W CB . 15680 1 96 . 1 1 23 23 TRP N N 15 117.776 0.05 . 1 . . . . 85 W N . 15680 1 97 . 1 1 24 24 ALA H H 1 8.044 0.005 . 1 . . . . 86 A H . 15680 1 98 . 1 1 24 24 ALA C C 13 178.461 0.04 . 1 . . . . 86 A C . 15680 1 99 . 1 1 24 24 ALA CA C 13 55.081 0.08 . 1 . . . . 86 A CA . 15680 1 100 . 1 1 24 24 ALA CB C 13 17.905 0.08 . 1 . . . . 86 A CB . 15680 1 101 . 1 1 24 24 ALA N N 15 123.425 0.05 . 1 . . . . 86 A N . 15680 1 102 . 1 1 25 25 LEU H H 1 8.109 0.005 . 1 . . . . 87 L H . 15680 1 103 . 1 1 25 25 LEU C C 13 175.404 0.04 . 1 . . . . 87 L C . 15680 1 104 . 1 1 25 25 LEU CA C 13 57.294 0.08 . 1 . . . . 87 L CA . 15680 1 105 . 1 1 25 25 LEU CB C 13 41.703 0.08 . 1 . . . . 87 L CB . 15680 1 106 . 1 1 25 25 LEU N N 15 115.256 0.05 . 1 . . . . 87 L N . 15680 1 107 . 1 1 26 26 GLN H H 1 7.253 0.005 . 1 . . . . 88 Q H . 15680 1 108 . 1 1 26 26 GLN C C 13 176.087 0.04 . 1 . . . . 88 Q C . 15680 1 109 . 1 1 26 26 GLN CA C 13 57.769 0.08 . 1 . . . . 88 Q CA . 15680 1 110 . 1 1 26 26 GLN CB C 13 30.845 0.08 . 1 . . . . 88 Q CB . 15680 1 111 . 1 1 26 26 GLN N N 15 111.379 0.05 . 1 . . . . 88 Q N . 15680 1 112 . 1 1 27 27 ARG H H 1 8.136 0.005 . 1 . . . . 89 R H . 15680 1 113 . 1 1 27 27 ARG C C 13 175.104 0.04 . 1 . . . . 89 R C . 15680 1 114 . 1 1 27 27 ARG CA C 13 55.838 0.08 . 1 . . . . 89 R CA . 15680 1 115 . 1 1 27 27 ARG CB C 13 30.445 0.08 . 1 . . . . 89 R CB . 15680 1 116 . 1 1 27 27 ARG N N 15 115.356 0.05 . 1 . . . . 89 R N . 15680 1 117 . 1 1 28 28 GLN H H 1 8.356 0.005 . 1 . . . . 90 Q H . 15680 1 118 . 1 1 28 28 GLN CA C 13 53.328 0.08 . 1 . . . . 90 Q CA . 15680 1 119 . 1 1 28 28 GLN CB C 13 29.242 0.08 . 1 . . . . 90 Q CB . 15680 1 120 . 1 1 28 28 GLN N N 15 119.945 0.05 . 1 . . . . 90 Q N . 15680 1 121 . 1 1 30 30 PRO C C 13 173.876 0.04 . 1 . . . . 92 P C . 15680 1 122 . 1 1 30 30 PRO CA C 13 61.990 0.08 . 1 . . . . 92 P CA . 15680 1 123 . 1 1 30 30 PRO CB C 13 31.037 0.08 . 1 . . . . 92 P CB . 15680 1 124 . 1 1 31 31 SER H H 1 8.432 0.005 . 1 . . . . 93 S H . 15680 1 125 . 1 1 31 31 SER CA C 13 55.846 0.08 . 1 . . . . 93 S CA . 15680 1 126 . 1 1 31 31 SER CB C 13 63.047 0.08 . 1 . . . . 93 S CB . 15680 1 127 . 1 1 31 31 SER N N 15 118.787 0.05 . 1 . . . . 93 S N . 15680 1 128 . 1 1 33 33 LYS C C 13 174.205 0.04 . 1 . . . . 95 K C . 15680 1 129 . 1 1 33 33 LYS CA C 13 56.196 0.08 . 1 . . . . 95 K CA . 15680 1 130 . 1 1 33 33 LYS CB C 13 26.610 0.08 . 1 . . . . 95 K CB . 15680 1 131 . 1 1 34 34 GLN H H 1 7.568 0.005 . 1 . . . . 96 Q H . 15680 1 132 . 1 1 34 34 GLN C C 13 178.493 0.04 . 1 . . . . 96 Q C . 15680 1 133 . 1 1 34 34 GLN CA C 13 56.100 0.08 . 1 . . . . 96 Q CA . 15680 1 134 . 1 1 34 34 GLN CB C 13 29.769 0.08 . 1 . . . . 96 Q CB . 15680 1 135 . 1 1 34 34 GLN N N 15 119.561 0.05 . 1 . . . . 96 Q N . 15680 1 136 . 1 1 35 35 LEU H H 1 8.269 0.005 . 1 . . . . 97 L H . 15680 1 137 . 1 1 35 35 LEU C C 13 177.068 0.04 . 1 . . . . 97 L C . 15680 1 138 . 1 1 35 35 LEU CA C 13 57.233 0.08 . 1 . . . . 97 L CA . 15680 1 139 . 1 1 35 35 LEU CB C 13 41.507 0.08 . 1 . . . . 97 L CB . 15680 1 140 . 1 1 35 35 LEU N N 15 119.672 0.05 . 1 . . . . 97 L N . 15680 1 141 . 1 1 36 36 GLU H H 1 8.231 0.005 . 1 . . . . 98 E H . 15680 1 142 . 1 1 36 36 GLU C C 13 176.184 0.04 . 1 . . . . 98 E C . 15680 1 143 . 1 1 36 36 GLU CA C 13 59.881 0.08 . 1 . . . . 98 E CA . 15680 1 144 . 1 1 36 36 GLU CB C 13 28.933 0.08 . 1 . . . . 98 E CB . 15680 1 145 . 1 1 36 36 GLU N N 15 121.178 0.05 . 1 . . . . 98 E N . 15680 1 146 . 1 1 37 37 GLU H H 1 7.818 0.005 . 1 . . . . 99 E H . 15680 1 147 . 1 1 37 37 GLU C C 13 177.227 0.04 . 1 . . . . 99 E C . 15680 1 148 . 1 1 37 37 GLU CA C 13 59.140 0.08 . 1 . . . . 99 E CA . 15680 1 149 . 1 1 37 37 GLU CB C 13 28.835 0.08 . 1 . . . . 99 E CB . 15680 1 150 . 1 1 37 37 GLU N N 15 117.438 0.05 . 1 . . . . 99 E N . 15680 1 151 . 1 1 38 38 GLU H H 1 7.907 0.005 . 1 . . . . 100 E H . 15680 1 152 . 1 1 38 38 GLU C C 13 171.740 0.04 . 1 . . . . 100 E C . 15680 1 153 . 1 1 38 38 GLU CA C 13 59.450 0.08 . 1 . . . . 100 E CA . 15680 1 154 . 1 1 38 38 GLU CB C 13 31.097 0.08 . 1 . . . . 100 E CB . 15680 1 155 . 1 1 38 38 GLU N N 15 119.713 0.05 . 1 . . . . 100 E N . 15680 1 156 . 1 1 39 39 PHE H H 1 8.484 0.005 . 1 . . . . 101 F H . 15680 1 157 . 1 1 39 39 PHE C C 13 176.911 0.04 . 1 . . . . 101 F C . 15680 1 158 . 1 1 39 39 PHE CA C 13 60.703 0.08 . 1 . . . . 101 F CA . 15680 1 159 . 1 1 39 39 PHE CB C 13 38.535 0.08 . 1 . . . . 101 F CB . 15680 1 160 . 1 1 39 39 PHE N N 15 118.829 0.05 . 1 . . . . 101 F N . 15680 1 161 . 1 1 40 40 LEU H H 1 7.992 0.005 . 1 . . . . 102 L H . 15680 1 162 . 1 1 40 40 LEU C C 13 176.641 0.04 . 1 . . . . 102 L C . 15680 1 163 . 1 1 40 40 LEU CA C 13 56.283 0.08 . 1 . . . . 102 L CA . 15680 1 164 . 1 1 40 40 LEU CB C 13 40.932 0.08 . 1 . . . . 102 L CB . 15680 1 165 . 1 1 40 40 LEU N N 15 117.592 0.05 . 1 . . . . 102 L N . 15680 1 166 . 1 1 41 41 LYS H H 1 7.010 0.005 . 1 . . . . 103 K H . 15680 1 167 . 1 1 41 41 LYS C C 13 174.501 0.04 . 1 . . . . 103 K C . 15680 1 168 . 1 1 41 41 LYS CA C 13 56.340 0.08 . 1 . . . . 103 K CA . 15680 1 169 . 1 1 41 41 LYS CB C 13 32.483 0.08 . 1 . . . . 103 K CB . 15680 1 170 . 1 1 41 41 LYS N N 15 117.014 0.05 . 1 . . . . 103 K N . 15680 1 171 . 1 1 42 42 ILE H H 1 7.036 0.005 . 1 . . . . 104 I H . 15680 1 172 . 1 1 42 42 ILE CA C 13 59.508 0.08 . 1 . . . . 104 I CA . 15680 1 173 . 1 1 42 42 ILE CB C 13 37.707 0.08 . 1 . . . . 104 I CB . 15680 1 174 . 1 1 42 42 ILE N N 15 120.010 0.05 . 1 . . . . 104 I N . 15680 1 175 . 1 1 43 43 PRO C C 13 176.402 0.04 . 1 . . . . 105 P C . 15680 1 176 . 1 1 43 43 PRO CA C 13 62.293 0.08 . 1 . . . . 105 P CA . 15680 1 177 . 1 1 43 43 PRO CB C 13 31.861 0.08 . 1 . . . . 105 P CB . 15680 1 178 . 1 1 44 44 SER H H 1 8.545 0.005 . 1 . . . . 106 S H . 15680 1 179 . 1 1 44 44 SER C C 13 173.100 0.04 . 1 . . . . 106 S C . 15680 1 180 . 1 1 44 44 SER CA C 13 61.333 0.08 . 1 . . . . 106 S CA . 15680 1 181 . 1 1 44 44 SER CB C 13 62.599 0.08 . 1 . . . . 106 S CB . 15680 1 182 . 1 1 44 44 SER N N 15 119.512 0.05 . 1 . . . . 106 S N . 15680 1 183 . 1 1 45 45 ASN H H 1 8.519 0.005 . 1 . . . . 107 N H . 15680 1 184 . 1 1 45 45 ASN C C 13 173.139 0.04 . 1 . . . . 107 N C . 15680 1 185 . 1 1 45 45 ASN CA C 13 53.239 0.08 . 1 . . . . 107 N CA . 15680 1 186 . 1 1 45 45 ASN CB C 13 38.673 0.08 . 1 . . . . 107 N CB . 15680 1 187 . 1 1 45 45 ASN N N 15 117.189 0.05 . 1 . . . . 107 N N . 15680 1 188 . 1 1 46 46 PHE H H 1 7.564 0.005 . 1 . . . . 108 F H . 15680 1 189 . 1 1 46 46 PHE C C 13 176.767 0.04 . 1 . . . . 108 F C . 15680 1 190 . 1 1 46 46 PHE CA C 13 57.266 0.08 . 1 . . . . 108 F CA . 15680 1 191 . 1 1 46 46 PHE CB C 13 38.710 0.08 . 1 . . . . 108 F CB . 15680 1 192 . 1 1 46 46 PHE N N 15 114.458 0.05 . 1 . . . . 108 F N . 15680 1 193 . 1 1 47 47 VAL H H 1 9.120 0.005 . 1 . . . . 109 V H . 15680 1 194 . 1 1 47 47 VAL C C 13 173.906 0.04 . 1 . . . . 109 V C . 15680 1 195 . 1 1 47 47 VAL CA C 13 60.226 0.08 . 1 . . . . 109 V CA . 15680 1 196 . 1 1 47 47 VAL CB C 13 32.273 0.08 . 1 . . . . 109 V CB . 15680 1 197 . 1 1 47 47 VAL N N 15 122.604 0.05 . 1 . . . . 109 V N . 15680 1 198 . 1 1 48 48 SER H H 1 8.929 0.005 . 1 . . . . 110 S H . 15680 1 199 . 1 1 48 48 SER CA C 13 55.978 0.08 . 1 . . . . 110 S CA . 15680 1 200 . 1 1 48 48 SER CB C 13 63.252 0.08 . 1 . . . . 110 S CB . 15680 1 201 . 1 1 48 48 SER N N 15 122.921 0.05 . 1 . . . . 110 S N . 15680 1 202 . 1 1 49 49 PRO C C 13 177.538 0.04 . 1 . . . . 111 P C . 15680 1 203 . 1 1 49 49 PRO CA C 13 65.612 0.08 . 1 . . . . 111 P CA . 15680 1 204 . 1 1 49 49 PRO CB C 13 30.794 0.08 . 1 . . . . 111 P CB . 15680 1 205 . 1 1 50 50 GLU H H 1 8.754 0.005 . 1 . . . . 112 E H . 15680 1 206 . 1 1 50 50 GLU C C 13 175.659 0.04 . 1 . . . . 112 E C . 15680 1 207 . 1 1 50 50 GLU CA C 13 58.408 0.08 . 1 . . . . 112 E CA . 15680 1 208 . 1 1 50 50 GLU CB C 13 27.788 0.08 . 1 . . . . 112 E CB . 15680 1 209 . 1 1 50 50 GLU N N 15 116.615 0.05 . 1 . . . . 112 E N . 15680 1 210 . 1 1 51 51 ASP H H 1 7.723 0.005 . 1 . . . . 113 D H . 15680 1 211 . 1 1 51 51 ASP C C 13 174.315 0.04 . 1 . . . . 113 D C . 15680 1 212 . 1 1 51 51 ASP CA C 13 55.097 0.08 . 1 . . . . 113 D CA . 15680 1 213 . 1 1 51 51 ASP CB C 13 40.593 0.08 . 1 . . . . 113 D CB . 15680 1 214 . 1 1 51 51 ASP N N 15 118.894 0.05 . 1 . . . . 113 D N . 15680 1 215 . 1 1 52 52 LEU H H 1 7.243 0.005 . 1 . . . . 114 L H . 15680 1 216 . 1 1 52 52 LEU CA C 13 54.677 0.08 . 1 . . . . 114 L CA . 15680 1 217 . 1 1 52 52 LEU CB C 13 42.039 0.08 . 1 . . . . 114 L CB . 15680 1 218 . 1 1 52 52 LEU N N 15 121.383 0.05 . 1 . . . . 114 L N . 15680 1 219 . 1 1 56 56 GLY C C 13 173.020 0.04 . 1 . . . . 118 G C . 15680 1 220 . 1 1 56 56 GLY CA C 13 45.710 0.08 . 1 . . . . 118 G CA . 15680 1 221 . 1 1 57 57 HIS H H 1 8.569 0.005 . 1 . . . . 119 H H . 15680 1 222 . 1 1 57 57 HIS C C 13 175.487 0.04 . 1 . . . . 119 H C . 15680 1 223 . 1 1 57 57 HIS CA C 13 54.680 0.08 . 1 . . . . 119 H CA . 15680 1 224 . 1 1 57 57 HIS CB C 13 27.027 0.08 . 1 . . . . 119 H CB . 15680 1 225 . 1 1 57 57 HIS N N 15 114.667 0.05 . 1 . . . . 119 H N . 15680 1 226 . 1 1 58 58 ALA H H 1 8.272 0.005 . 1 . . . . 120 A H . 15680 1 227 . 1 1 58 58 ALA CA C 13 54.209 0.08 . 1 . . . . 120 A CA . 15680 1 228 . 1 1 58 58 ALA CB C 13 17.714 0.08 . 1 . . . . 120 A CB . 15680 1 229 . 1 1 58 58 ALA N N 15 121.470 0.05 . 1 . . . . 120 A N . 15680 1 230 . 1 1 59 59 SER C C 13 173.174 0.04 . 1 . . . . 121 S C . 15680 1 231 . 1 1 59 59 SER CA C 13 59.608 0.08 . 1 . . . . 121 S CA . 15680 1 232 . 1 1 59 59 SER CB C 13 62.628 0.08 . 1 . . . . 121 S CB . 15680 1 233 . 1 1 60 60 LYS H H 1 8.109 0.005 . 1 . . . . 122 K H . 15680 1 234 . 1 1 60 60 LYS C C 13 173.021 0.04 . 1 . . . . 122 K C . 15680 1 235 . 1 1 60 60 LYS CA C 13 55.566 0.08 . 1 . . . . 122 K CA . 15680 1 236 . 1 1 60 60 LYS CB C 13 32.008 0.08 . 1 . . . . 122 K CB . 15680 1 237 . 1 1 60 60 LYS N N 15 120.415 0.05 . 1 . . . . 122 K N . 15680 1 238 . 1 1 61 61 ASP H H 1 7.202 0.005 . 1 . . . . 123 D H . 15680 1 239 . 1 1 61 61 ASP C C 13 172.962 0.04 . 1 . . . . 123 D C . 15680 1 240 . 1 1 61 61 ASP CA C 13 53.671 0.08 . 1 . . . . 123 D CA . 15680 1 241 . 1 1 61 61 ASP CB C 13 42.832 0.08 . 1 . . . . 123 D CB . 15680 1 242 . 1 1 61 61 ASP N N 15 121.737 0.05 . 1 . . . . 123 D N . 15680 1 243 . 1 1 62 62 ARG H H 1 9.057 0.005 . 1 . . . . 124 R H . 15680 1 244 . 1 1 62 62 ARG C C 13 174.641 0.04 . 1 . . . . 124 R C . 15680 1 245 . 1 1 62 62 ARG CA C 13 59.224 0.08 . 1 . . . . 124 R CA . 15680 1 246 . 1 1 62 62 ARG CB C 13 30.090 0.08 . 1 . . . . 124 R CB . 15680 1 247 . 1 1 62 62 ARG N N 15 126.614 0.05 . 1 . . . . 124 R N . 15680 1 248 . 1 1 63 63 TYR H H 1 9.364 0.005 . 1 . . . . 125 Y H . 15680 1 249 . 1 1 63 63 TYR C C 13 175.065 0.04 . 1 . . . . 125 Y C . 15680 1 250 . 1 1 63 63 TYR CA C 13 56.267 0.08 . 1 . . . . 125 Y CA . 15680 1 251 . 1 1 63 63 TYR CB C 13 39.058 0.08 . 1 . . . . 125 Y CB . 15680 1 252 . 1 1 63 63 TYR N N 15 119.223 0.05 . 1 . . . . 125 Y N . 15680 1 253 . 1 1 64 64 LYS H H 1 8.409 0.005 . 1 . . . . 126 K H . 15680 1 254 . 1 1 64 64 LYS C C 13 175.857 0.04 . 1 . . . . 126 K C . 15680 1 255 . 1 1 64 64 LYS CA C 13 58.156 0.08 . 1 . . . . 126 K CA . 15680 1 256 . 1 1 64 64 LYS CB C 13 31.383 0.08 . 1 . . . . 126 K CB . 15680 1 257 . 1 1 64 64 LYS N N 15 120.842 0.05 . 1 . . . . 126 K N . 15680 1 258 . 1 1 65 65 THR H H 1 7.400 0.005 . 1 . . . . 127 T H . 15680 1 259 . 1 1 65 65 THR C C 13 173.073 0.04 . 1 . . . . 127 T C . 15680 1 260 . 1 1 65 65 THR CA C 13 60.646 0.08 . 1 . . . . 127 T CA . 15680 1 261 . 1 1 65 65 THR CB C 13 68.378 0.08 . 1 . . . . 127 T CB . 15680 1 262 . 1 1 65 65 THR N N 15 102.681 0.05 . 1 . . . . 127 T N . 15680 1 263 . 1 1 66 66 ILE H H 1 7.257 0.005 . 1 . . . . 128 I H . 15680 1 264 . 1 1 66 66 ILE C C 13 171.001 0.04 . 1 . . . . 128 I C . 15680 1 265 . 1 1 66 66 ILE CA C 13 61.094 0.08 . 1 . . . . 128 I CA . 15680 1 266 . 1 1 66 66 ILE CB C 13 36.325 0.08 . 1 . . . . 128 I CB . 15680 1 267 . 1 1 66 66 ILE N N 15 126.272 0.05 . 1 . . . . 128 I N . 15680 1 268 . 1 1 67 67 LEU H H 1 7.740 0.005 . 1 . . . . 129 L H . 15680 1 269 . 1 1 67 67 LEU CA C 13 51.017 0.08 . 1 . . . . 129 L CA . 15680 1 270 . 1 1 67 67 LEU CB C 13 42.844 0.08 . 1 . . . . 129 L CB . 15680 1 271 . 1 1 67 67 LEU N N 15 125.871 0.05 . 1 . . . . 129 L N . 15680 1 272 . 1 1 68 68 PRO C C 13 174.642 0.04 . 1 . . . . 130 P C . 15680 1 273 . 1 1 68 68 PRO CA C 13 61.840 0.08 . 1 . . . . 130 P CA . 15680 1 274 . 1 1 68 68 PRO CB C 13 31.374 0.08 . 1 . . . . 130 P CB . 15680 1 275 . 1 1 69 69 ASN H H 1 7.985 0.005 . 1 . . . . 131 N H . 15680 1 276 . 1 1 69 69 ASN CA C 13 52.761 0.08 . 1 . . . . 131 N CA . 15680 1 277 . 1 1 69 69 ASN CB C 13 35.164 0.08 . 1 . . . . 131 N CB . 15680 1 278 . 1 1 69 69 ASN N N 15 121.613 0.05 . 1 . . . . 131 N N . 15680 1 279 . 1 1 70 70 PRO C C 13 177.432 0.04 . 1 . . . . 132 P C . 15680 1 280 . 1 1 70 70 PRO CA C 13 65.760 0.08 . 1 . . . . 132 P CA . 15680 1 281 . 1 1 70 70 PRO CB C 13 31.171 0.08 . 1 . . . . 132 P CB . 15680 1 282 . 1 1 71 71 GLN H H 1 8.831 0.005 . 1 . . . . 133 Q H . 15680 1 283 . 1 1 71 71 GLN C C 13 174.658 0.04 . 1 . . . . 133 Q C . 15680 1 284 . 1 1 71 71 GLN CA C 13 58.355 0.08 . 1 . . . . 133 Q CA . 15680 1 285 . 1 1 71 71 GLN CB C 13 26.645 0.08 . 1 . . . . 133 Q CB . 15680 1 286 . 1 1 71 71 GLN N N 15 116.251 0.05 . 1 . . . . 133 Q N . 15680 1 287 . 1 1 72 72 SER H H 1 7.264 0.005 . 1 . . . . 134 S H . 15680 1 288 . 1 1 72 72 SER C C 13 172.410 0.04 . 1 . . . . 134 S C . 15680 1 289 . 1 1 72 72 SER CA C 13 55.966 0.08 . 1 . . . . 134 S CA . 15680 1 290 . 1 1 72 72 SER CB C 13 63.814 0.08 . 1 . . . . 134 S CB . 15680 1 291 . 1 1 72 72 SER N N 15 108.721 0.05 . 1 . . . . 134 S N . 15680 1 292 . 1 1 73 73 ARG H H 1 7.077 0.005 . 1 . . . . 135 R H . 15680 1 293 . 1 1 73 73 ARG C C 13 172.924 0.04 . 1 . . . . 135 R C . 15680 1 294 . 1 1 73 73 ARG CA C 13 56.421 0.08 . 1 . . . . 135 R CA . 15680 1 295 . 1 1 73 73 ARG CB C 13 30.003 0.08 . 1 . . . . 135 R CB . 15680 1 296 . 1 1 73 73 ARG N N 15 125.003 0.05 . 1 . . . . 135 R N . 15680 1 297 . 1 1 74 74 VAL H H 1 6.924 0.005 . 1 . . . . 136 V H . 15680 1 298 . 1 1 74 74 VAL C C 13 173.271 0.04 . 1 . . . . 136 V C . 15680 1 299 . 1 1 74 74 VAL CA C 13 61.782 0.08 . 1 . . . . 136 V CA . 15680 1 300 . 1 1 74 74 VAL CB C 13 30.588 0.08 . 1 . . . . 136 V CB . 15680 1 301 . 1 1 74 74 VAL N N 15 123.407 0.05 . 1 . . . . 136 V N . 15680 1 302 . 1 1 75 75 CYS H H 1 8.639 0.005 . 1 . . . . 137 C H . 15680 1 303 . 1 1 75 75 CYS C C 13 173.923 0.04 . 1 . . . . 137 C C . 15680 1 304 . 1 1 75 75 CYS CA C 13 57.592 0.08 . 1 . . . . 137 C CA . 15680 1 305 . 1 1 75 75 CYS CB C 13 28.276 0.08 . 1 . . . . 137 C CB . 15680 1 306 . 1 1 75 75 CYS N N 15 127.615 0.05 . 1 . . . . 137 C N . 15680 1 307 . 1 1 76 76 LEU H H 1 9.180 0.005 . 1 . . . . 138 L H . 15680 1 308 . 1 1 76 76 LEU C C 13 175.252 0.04 . 1 . . . . 138 L C . 15680 1 309 . 1 1 76 76 LEU CA C 13 54.151 0.08 . 1 . . . . 138 L CA . 15680 1 310 . 1 1 76 76 LEU CB C 13 39.336 0.08 . 1 . . . . 138 L CB . 15680 1 311 . 1 1 76 76 LEU N N 15 127.285 0.05 . 1 . . . . 138 L N . 15680 1 312 . 1 1 77 77 GLY H H 1 9.329 0.005 . 1 . . . . 139 G H . 15680 1 313 . 1 1 77 77 GLY C C 13 174.534 0.04 . 1 . . . . 139 G C . 15680 1 314 . 1 1 77 77 GLY CA C 13 45.657 0.08 . 1 . . . . 139 G CA . 15680 1 315 . 1 1 77 77 GLY N N 15 113.063 0.05 . 1 . . . . 139 G N . 15680 1 316 . 1 1 78 78 ARG H H 1 7.417 0.005 . 1 . . . . 140 R H . 15680 1 317 . 1 1 78 78 ARG C C 13 173.882 0.04 . 1 . . . . 140 R C . 15680 1 318 . 1 1 78 78 ARG CA C 13 58.003 0.08 . 1 . . . . 140 R CA . 15680 1 319 . 1 1 78 78 ARG CB C 13 25.224 0.08 . 1 . . . . 140 R CB . 15680 1 320 . 1 1 78 78 ARG N N 15 118.392 0.05 . 1 . . . . 140 R N . 15680 1 321 . 1 1 79 79 ALA H H 1 7.389 0.005 . 1 . . . . 141 A H . 15680 1 322 . 1 1 79 79 ALA C C 13 177.079 0.04 . 1 . . . . 141 A C . 15680 1 323 . 1 1 79 79 ALA CA C 13 54.333 0.08 . 1 . . . . 141 A CA . 15680 1 324 . 1 1 79 79 ALA CB C 13 17.631 0.08 . 1 . . . . 141 A CB . 15680 1 325 . 1 1 79 79 ALA N N 15 120.539 0.05 . 1 . . . . 141 A N . 15680 1 326 . 1 1 80 80 GLN H H 1 7.832 0.005 . 1 . . . . 142 Q H . 15680 1 327 . 1 1 80 80 GLN C C 13 174.177 0.04 . 1 . . . . 142 Q C . 15680 1 328 . 1 1 80 80 GLN CA C 13 56.989 0.08 . 1 . . . . 142 Q CA . 15680 1 329 . 1 1 80 80 GLN CB C 13 27.911 0.08 . 1 . . . . 142 Q CB . 15680 1 330 . 1 1 80 80 GLN N N 15 114.313 0.05 . 1 . . . . 142 Q N . 15680 1 331 . 1 1 81 81 SER H H 1 7.901 0.005 . 1 . . . . 143 S H . 15680 1 332 . 1 1 81 81 SER C C 13 172.682 0.04 . 1 . . . . 143 S C . 15680 1 333 . 1 1 81 81 SER CA C 13 58.010 0.08 . 1 . . . . 143 S CA . 15680 1 334 . 1 1 81 81 SER CB C 13 64.377 0.08 . 1 . . . . 143 S CB . 15680 1 335 . 1 1 81 81 SER N N 15 114.284 0.05 . 1 . . . . 143 S N . 15680 1 336 . 1 1 82 82 GLN H H 1 8.253 0.005 . 1 . . . . 144 Q H . 15680 1 337 . 1 1 82 82 GLN C C 13 175.185 0.04 . 1 . . . . 144 Q C . 15680 1 338 . 1 1 82 82 GLN CA C 13 55.810 0.08 . 1 . . . . 144 Q CA . 15680 1 339 . 1 1 82 82 GLN CB C 13 27.154 0.08 . 1 . . . . 144 Q CB . 15680 1 340 . 1 1 82 82 GLN N N 15 118.136 0.05 . 1 . . . . 144 Q N . 15680 1 341 . 1 1 83 83 GLU H H 1 7.812 0.005 . 1 . . . . 145 E H . 15680 1 342 . 1 1 83 83 GLU C C 13 174.587 0.04 . 1 . . . . 145 E C . 15680 1 343 . 1 1 83 83 GLU CA C 13 54.686 0.08 . 1 . . . . 145 E CA . 15680 1 344 . 1 1 83 83 GLU CB C 13 30.040 0.08 . 1 . . . . 145 E CB . 15680 1 345 . 1 1 83 83 GLU N N 15 116.899 0.05 . 1 . . . . 145 E N . 15680 1 346 . 1 1 84 84 ASP H H 1 7.683 0.005 . 1 . . . . 146 D H . 15680 1 347 . 1 1 84 84 ASP C C 13 175.869 0.04 . 1 . . . . 146 D C . 15680 1 348 . 1 1 84 84 ASP CA C 13 54.464 0.08 . 1 . . . . 146 D CA . 15680 1 349 . 1 1 84 84 ASP CB C 13 41.778 0.08 . 1 . . . . 146 D CB . 15680 1 350 . 1 1 84 84 ASP N N 15 121.271 0.05 . 1 . . . . 146 D N . 15680 1 351 . 1 1 85 85 GLY H H 1 8.209 0.005 . 1 . . . . 147 G H . 15680 1 352 . 1 1 85 85 GLY C C 13 172.084 0.04 . 1 . . . . 147 G C . 15680 1 353 . 1 1 85 85 GLY CA C 13 44.959 0.08 . 1 . . . . 147 G CA . 15680 1 354 . 1 1 85 85 GLY N N 15 110.046 0.05 . 1 . . . . 147 G N . 15680 1 355 . 1 1 86 86 ASP H H 1 8.305 0.005 . 1 . . . . 148 D H . 15680 1 356 . 1 1 86 86 ASP C C 13 177.131 0.04 . 1 . . . . 148 D C . 15680 1 357 . 1 1 86 86 ASP CA C 13 52.464 0.08 . 1 . . . . 148 D CA . 15680 1 358 . 1 1 86 86 ASP CB C 13 43.092 0.08 . 1 . . . . 148 D CB . 15680 1 359 . 1 1 86 86 ASP N N 15 121.022 0.05 . 1 . . . . 148 D N . 15680 1 360 . 1 1 87 87 TYR H H 1 7.460 0.005 . 1 . . . . 149 Y H . 15680 1 361 . 1 1 87 87 TYR C C 13 173.865 0.04 . 1 . . . . 149 Y C . 15680 1 362 . 1 1 87 87 TYR CA C 13 60.610 0.08 . 1 . . . . 149 Y CA . 15680 1 363 . 1 1 87 87 TYR CB C 13 40.337 0.08 . 1 . . . . 149 Y CB . 15680 1 364 . 1 1 87 87 TYR N N 15 119.633 0.05 . 1 . . . . 149 Y N . 15680 1 365 . 1 1 88 88 ILE H H 1 7.999 0.005 . 1 . . . . 150 I H . 15680 1 366 . 1 1 88 88 ILE C C 13 171.018 0.04 . 1 . . . . 150 I C . 15680 1 367 . 1 1 88 88 ILE CA C 13 59.444 0.08 . 1 . . . . 150 I CA . 15680 1 368 . 1 1 88 88 ILE CB C 13 40.788 0.08 . 1 . . . . 150 I CB . 15680 1 369 . 1 1 88 88 ILE N N 15 125.330 0.05 . 1 . . . . 150 I N . 15680 1 370 . 1 1 89 89 ASN H H 1 8.074 0.005 . 1 . . . . 151 N H . 15680 1 371 . 1 1 89 89 ASN C C 13 171.952 0.04 . 1 . . . . 151 N C . 15680 1 372 . 1 1 89 89 ASN CA C 13 52.519 0.08 . 1 . . . . 151 N CA . 15680 1 373 . 1 1 89 89 ASN CB C 13 35.232 0.08 . 1 . . . . 151 N CB . 15680 1 374 . 1 1 89 89 ASN N N 15 126.482 0.05 . 1 . . . . 151 N N . 15680 1 375 . 1 1 90 90 ALA H H 1 7.502 0.005 . 1 . . . . 152 A H . 15680 1 376 . 1 1 90 90 ALA C C 13 173.338 0.04 . 1 . . . . 152 A C . 15680 1 377 . 1 1 90 90 ALA CA C 13 51.186 0.08 . 1 . . . . 152 A CA . 15680 1 378 . 1 1 90 90 ALA CB C 13 21.738 0.08 . 1 . . . . 152 A CB . 15680 1 379 . 1 1 90 90 ALA N N 15 128.611 0.05 . 1 . . . . 152 A N . 15680 1 380 . 1 1 91 91 ASN H H 1 8.460 0.005 . 1 . . . . 153 N H . 15680 1 381 . 1 1 91 91 ASN C C 13 172.787 0.04 . 1 . . . . 153 N C . 15680 1 382 . 1 1 91 91 ASN CA C 13 53.731 0.08 . 1 . . . . 153 N CA . 15680 1 383 . 1 1 91 91 ASN CB C 13 44.936 0.08 . 1 . . . . 153 N CB . 15680 1 384 . 1 1 91 91 ASN N N 15 116.107 0.05 . 1 . . . . 153 N N . 15680 1 385 . 1 1 92 92 TYR H H 1 8.859 0.005 . 1 . . . . 154 Y H . 15680 1 386 . 1 1 92 92 TYR C C 13 174.328 0.04 . 1 . . . . 154 Y C . 15680 1 387 . 1 1 92 92 TYR CA C 13 58.306 0.08 . 1 . . . . 154 Y CA . 15680 1 388 . 1 1 92 92 TYR CB C 13 39.477 0.08 . 1 . . . . 154 Y CB . 15680 1 389 . 1 1 92 92 TYR N N 15 120.893 0.05 . 1 . . . . 154 Y N . 15680 1 390 . 1 1 93 93 ILE H H 1 9.096 0.005 . 1 . . . . 155 I H . 15680 1 391 . 1 1 93 93 ILE C C 13 174.731 0.04 . 1 . . . . 155 I C . 15680 1 392 . 1 1 93 93 ILE CA C 13 57.217 0.08 . 1 . . . . 155 I CA . 15680 1 393 . 1 1 93 93 ILE CB C 13 37.494 0.08 . 1 . . . . 155 I CB . 15680 1 394 . 1 1 93 93 ILE N N 15 124.683 0.05 . 1 . . . . 155 I N . 15680 1 395 . 1 1 94 94 ARG H H 1 8.610 0.005 . 1 . . . . 156 R H . 15680 1 396 . 1 1 94 94 ARG C C 13 175.937 0.04 . 1 . . . . 156 R C . 15680 1 397 . 1 1 94 94 ARG CA C 13 55.883 0.08 . 1 . . . . 156 R CA . 15680 1 398 . 1 1 94 94 ARG CB C 13 30.429 0.08 . 1 . . . . 156 R CB . 15680 1 399 . 1 1 94 94 ARG N N 15 126.844 0.05 . 1 . . . . 156 R N . 15680 1 400 . 1 1 95 95 GLY H H 1 8.881 0.005 . 1 . . . . 157 G H . 15680 1 401 . 1 1 95 95 GLY CA C 13 42.805 0.08 . 1 . . . . 157 G CA . 15680 1 402 . 1 1 95 95 GLY N N 15 104.876 0.05 . 1 . . . . 157 G N . 15680 1 403 . 1 1 96 96 TYR H H 1 7.181 0.005 . 1 . . . . 158 Y H . 15680 1 404 . 1 1 96 96 TYR C C 13 174.672 0.04 . 1 . . . . 158 Y C . 15680 1 405 . 1 1 96 96 TYR CA C 13 56.597 0.08 . 1 . . . . 158 Y CA . 15680 1 406 . 1 1 96 96 TYR N N 15 124.602 0.05 . 1 . . . . 158 Y N . 15680 1 407 . 1 1 97 97 ASP H H 1 8.358 0.005 . 1 . . . . 159 D H . 15680 1 408 . 1 1 97 97 ASP C C 13 174.418 0.04 . 1 . . . . 159 D C . 15680 1 409 . 1 1 97 97 ASP CA C 13 54.029 0.08 . 1 . . . . 159 D CA . 15680 1 410 . 1 1 97 97 ASP N N 15 122.056 0.05 . 1 . . . . 159 D N . 15680 1 411 . 1 1 98 98 GLY H H 1 7.929 0.005 . 1 . . . . 160 G H . 15680 1 412 . 1 1 98 98 GLY C C 13 172.339 0.04 . 1 . . . . 160 G C . 15680 1 413 . 1 1 98 98 GLY CA C 13 45.233 0.08 . 1 . . . . 160 G CA . 15680 1 414 . 1 1 98 98 GLY N N 15 105.215 0.05 . 1 . . . . 160 G N . 15680 1 415 . 1 1 99 99 LYS H H 1 6.653 0.005 . 1 . . . . 161 K H . 15680 1 416 . 1 1 99 99 LYS C C 13 174.730 0.04 . 1 . . . . 161 K C . 15680 1 417 . 1 1 99 99 LYS CA C 13 56.851 0.08 . 1 . . . . 161 K CA . 15680 1 418 . 1 1 99 99 LYS CB C 13 31.657 0.08 . 1 . . . . 161 K CB . 15680 1 419 . 1 1 99 99 LYS N N 15 121.645 0.05 . 1 . . . . 161 K N . 15680 1 420 . 1 1 100 100 GLU H H 1 8.484 0.005 . 1 . . . . 162 E H . 15680 1 421 . 1 1 100 100 GLU C C 13 175.136 0.04 . 1 . . . . 162 E C . 15680 1 422 . 1 1 100 100 GLU CA C 13 57.166 0.08 . 1 . . . . 162 E CA . 15680 1 423 . 1 1 100 100 GLU CB C 13 29.692 0.08 . 1 . . . . 162 E CB . 15680 1 424 . 1 1 100 100 GLU N N 15 124.278 0.05 . 1 . . . . 162 E N . 15680 1 425 . 1 1 101 101 LYS H H 1 9.273 0.005 . 1 . . . . 163 K H . 15680 1 426 . 1 1 101 101 LYS C C 13 172.951 0.04 . 1 . . . . 163 K C . 15680 1 427 . 1 1 101 101 LYS CA C 13 57.443 0.08 . 1 . . . . 163 K CA . 15680 1 428 . 1 1 101 101 LYS CB C 13 29.756 0.08 . 1 . . . . 163 K CB . 15680 1 429 . 1 1 101 101 LYS N N 15 114.180 0.05 . 1 . . . . 163 K N . 15680 1 430 . 1 1 102 102 VAL H H 1 7.169 0.005 . 1 . . . . 164 V H . 15680 1 431 . 1 1 102 102 VAL C C 13 175.322 0.04 . 1 . . . . 164 V C . 15680 1 432 . 1 1 102 102 VAL CA C 13 64.696 0.08 . 1 . . . . 164 V CA . 15680 1 433 . 1 1 102 102 VAL CB C 13 31.062 0.08 . 1 . . . . 164 V CB . 15680 1 434 . 1 1 102 102 VAL N N 15 118.157 0.05 . 1 . . . . 164 V N . 15680 1 435 . 1 1 103 103 TYR H H 1 8.189 0.005 . 1 . . . . 165 Y H . 15680 1 436 . 1 1 103 103 TYR C C 13 173.795 0.04 . 1 . . . . 165 Y C . 15680 1 437 . 1 1 103 103 TYR CA C 13 53.574 0.08 . 1 . . . . 165 Y CA . 15680 1 438 . 1 1 103 103 TYR CB C 13 40.513 0.08 . 1 . . . . 165 Y CB . 15680 1 439 . 1 1 103 103 TYR N N 15 114.441 0.05 . 1 . . . . 165 Y N . 15680 1 440 . 1 1 104 104 ILE H H 1 8.875 0.005 . 1 . . . . 166 I H . 15680 1 441 . 1 1 104 104 ILE C C 13 172.752 0.04 . 1 . . . . 166 I C . 15680 1 442 . 1 1 104 104 ILE CA C 13 60.717 0.08 . 1 . . . . 166 I CA . 15680 1 443 . 1 1 104 104 ILE CB C 13 41.704 0.08 . 1 . . . . 166 I CB . 15680 1 444 . 1 1 104 104 ILE N N 15 121.657 0.05 . 1 . . . . 166 I N . 15680 1 445 . 1 1 105 105 ALA H H 1 8.398 0.005 . 1 . . . . 167 A H . 15680 1 446 . 1 1 105 105 ALA C C 13 174.640 0.04 . 1 . . . . 167 A C . 15680 1 447 . 1 1 105 105 ALA CA C 13 49.392 0.08 . 1 . . . . 167 A CA . 15680 1 448 . 1 1 105 105 ALA CB C 13 20.947 0.08 . 1 . . . . 167 A CB . 15680 1 449 . 1 1 105 105 ALA N N 15 128.688 0.05 . 1 . . . . 167 A N . 15680 1 450 . 1 1 106 106 THR H H 1 8.310 0.005 . 1 . . . . 168 T H . 15680 1 451 . 1 1 106 106 THR C C 13 168.818 0.04 . 1 . . . . 168 T C . 15680 1 452 . 1 1 106 106 THR CA C 13 57.884 0.08 . 1 . . . . 168 T CA . 15680 1 453 . 1 1 106 106 THR CB C 13 70.775 0.08 . 1 . . . . 168 T CB . 15680 1 454 . 1 1 106 106 THR N N 15 115.632 0.05 . 1 . . . . 168 T N . 15680 1 455 . 1 1 107 107 GLN H H 1 6.577 0.005 . 1 . . . . 169 Q H . 15680 1 456 . 1 1 107 107 GLN C C 13 174.376 0.04 . 1 . . . . 169 Q C . 15680 1 457 . 1 1 107 107 GLN CA C 13 52.449 0.08 . 1 . . . . 169 Q CA . 15680 1 458 . 1 1 107 107 GLN CB C 13 27.798 0.08 . 1 . . . . 169 Q CB . 15680 1 459 . 1 1 107 107 GLN N N 15 117.633 0.05 . 1 . . . . 169 Q N . 15680 1 460 . 1 1 108 108 GLY H H 1 8.628 0.005 . 1 . . . . 170 G H . 15680 1 461 . 1 1 108 108 GLY CA C 13 44.290 0.08 . 1 . . . . 170 G CA . 15680 1 462 . 1 1 108 108 GLY N N 15 110.908 0.05 . 1 . . . . 170 G N . 15680 1 463 . 1 1 109 109 PRO C C 13 173.382 0.04 . 1 . . . . 171 P C . 15680 1 464 . 1 1 109 109 PRO CA C 13 63.571 0.08 . 1 . . . . 171 P CA . 15680 1 465 . 1 1 109 109 PRO CB C 13 30.912 0.08 . 1 . . . . 171 P CB . 15680 1 466 . 1 1 110 110 MET H H 1 8.068 0.005 . 1 . . . . 172 M H . 15680 1 467 . 1 1 110 110 MET CA C 13 53.573 0.08 . 1 . . . . 172 M CA . 15680 1 468 . 1 1 110 110 MET CB C 13 33.670 0.08 . 1 . . . . 172 M CB . 15680 1 469 . 1 1 110 110 MET N N 15 121.936 0.05 . 1 . . . . 172 M N . 15680 1 470 . 1 1 111 111 PRO C C 13 175.827 0.04 . 1 . . . . 173 P C . 15680 1 471 . 1 1 111 111 PRO CA C 13 66.239 0.08 . 1 . . . . 173 P CA . 15680 1 472 . 1 1 111 111 PRO CB C 13 30.913 0.08 . 1 . . . . 173 P CB . 15680 1 473 . 1 1 112 112 ASN H H 1 8.606 0.005 . 1 . . . . 174 N H . 15680 1 474 . 1 1 112 112 ASN C C 13 174.208 0.04 . 1 . . . . 174 N C . 15680 1 475 . 1 1 112 112 ASN CA C 13 53.442 0.08 . 1 . . . . 174 N CA . 15680 1 476 . 1 1 112 112 ASN CB C 13 36.332 0.08 . 1 . . . . 174 N CB . 15680 1 477 . 1 1 112 112 ASN N N 15 107.902 0.05 . 1 . . . . 174 N N . 15680 1 478 . 1 1 113 113 THR H H 1 8.255 0.005 . 1 . . . . 175 T H . 15680 1 479 . 1 1 113 113 THR C C 13 172.489 0.04 . 1 . . . . 175 T C . 15680 1 480 . 1 1 113 113 THR CA C 13 60.503 0.08 . 1 . . . . 175 T CA . 15680 1 481 . 1 1 113 113 THR CB C 13 69.256 0.08 . 1 . . . . 175 T CB . 15680 1 482 . 1 1 113 113 THR N N 15 111.022 0.05 . 1 . . . . 175 T N . 15680 1 483 . 1 1 114 114 VAL H H 1 7.106 0.005 . 1 . . . . 176 V H . 15680 1 484 . 1 1 114 114 VAL C C 13 175.619 0.04 . 1 . . . . 176 V C . 15680 1 485 . 1 1 114 114 VAL CA C 13 67.572 0.08 . 1 . . . . 176 V CA . 15680 1 486 . 1 1 114 114 VAL CB C 13 31.454 0.08 . 1 . . . . 176 V CB . 15680 1 487 . 1 1 114 114 VAL N N 15 123.952 0.05 . 1 . . . . 176 V N . 15680 1 488 . 1 1 115 115 SER H H 1 8.316 0.005 . 1 . . . . 177 S H . 15680 1 489 . 1 1 115 115 SER C C 13 175.355 0.04 . 1 . . . . 177 S C . 15680 1 490 . 1 1 115 115 SER CA C 13 62.884 0.08 . 1 . . . . 177 S CA . 15680 1 491 . 1 1 115 115 SER CB C 13 61.726 0.08 . 1 . . . . 177 S CB . 15680 1 492 . 1 1 115 115 SER N N 15 113.930 0.05 . 1 . . . . 177 S N . 15680 1 493 . 1 1 116 116 ASP H H 1 7.405 0.005 . 1 . . . . 178 D H . 15680 1 494 . 1 1 116 116 ASP C C 13 174.763 0.04 . 1 . . . . 178 D C . 15680 1 495 . 1 1 116 116 ASP CA C 13 57.167 0.08 . 1 . . . . 178 D CA . 15680 1 496 . 1 1 116 116 ASP CB C 13 40.010 0.08 . 1 . . . . 178 D CB . 15680 1 497 . 1 1 116 116 ASP N N 15 122.612 0.05 . 1 . . . . 178 D N . 15680 1 498 . 1 1 117 117 PHE H H 1 8.224 0.005 . 1 . . . . 179 F H . 15680 1 499 . 1 1 117 117 PHE C C 13 175.414 0.04 . 1 . . . . 179 F C . 15680 1 500 . 1 1 117 117 PHE CA C 13 61.890 0.08 . 1 . . . . 179 F CA . 15680 1 501 . 1 1 117 117 PHE CB C 13 37.541 0.08 . 1 . . . . 179 F CB . 15680 1 502 . 1 1 117 117 PHE N N 15 120.740 0.05 . 1 . . . . 179 F N . 15680 1 503 . 1 1 118 118 TRP H H 1 7.927 0.005 . 1 . . . . 180 W H . 15680 1 504 . 1 1 118 118 TRP C C 13 178.398 0.04 . 1 . . . . 180 W C . 15680 1 505 . 1 1 118 118 TRP CA C 13 59.776 0.08 . 1 . . . . 180 W CA . 15680 1 506 . 1 1 118 118 TRP CB C 13 29.527 0.08 . 1 . . . . 180 W CB . 15680 1 507 . 1 1 118 118 TRP N N 15 119.147 0.05 . 1 . . . . 180 W N . 15680 1 508 . 1 1 119 119 GLU H H 1 9.243 0.005 . 1 . . . . 181 E H . 15680 1 509 . 1 1 119 119 GLU C C 13 171.388 0.04 . 1 . . . . 181 E C . 15680 1 510 . 1 1 119 119 GLU CA C 13 59.025 0.08 . 1 . . . . 181 E CA . 15680 1 511 . 1 1 119 119 GLU CB C 13 30.094 0.08 . 1 . . . . 181 E CB . 15680 1 512 . 1 1 119 119 GLU N N 15 121.188 0.05 . 1 . . . . 181 E N . 15680 1 513 . 1 1 120 120 MET H H 1 9.117 0.005 . 1 . . . . 182 M H . 15680 1 514 . 1 1 120 120 MET C C 13 172.588 0.04 . 1 . . . . 182 M C . 15680 1 515 . 1 1 120 120 MET CA C 13 53.501 0.08 . 1 . . . . 182 M CA . 15680 1 516 . 1 1 120 120 MET CB C 13 31.186 0.08 . 1 . . . . 182 M CB . 15680 1 517 . 1 1 120 120 MET N N 15 128.611 0.05 . 1 . . . . 182 M N . 15680 1 518 . 1 1 121 121 VAL H H 1 8.305 0.005 . 1 . . . . 183 V H . 15680 1 519 . 1 1 121 121 VAL C C 13 167.922 0.04 . 1 . . . . 183 V C . 15680 1 520 . 1 1 121 121 VAL CA C 13 56.223 0.08 . 1 . . . . 183 V CA . 15680 1 521 . 1 1 121 121 VAL CB C 13 38.350 0.08 . 1 . . . . 183 V CB . 15680 1 522 . 1 1 121 121 VAL N N 15 127.340 0.05 . 1 . . . . 183 V N . 15680 1 523 . 1 1 122 122 TRP H H 1 6.075 0.005 . 1 . . . . 184 W H . 15680 1 524 . 1 1 122 122 TRP C C 13 175.544 0.04 . 1 . . . . 184 W C . 15680 1 525 . 1 1 122 122 TRP CA C 13 53.572 0.08 . 1 . . . . 184 W CA . 15680 1 526 . 1 1 122 122 TRP CB C 13 28.986 0.08 . 1 . . . . 184 W CB . 15680 1 527 . 1 1 122 122 TRP N N 15 118.525 0.05 . 1 . . . . 184 W N . 15680 1 528 . 1 1 123 123 GLN H H 1 9.104 0.005 . 1 . . . . 185 Q H . 15680 1 529 . 1 1 123 123 GLN N N 15 115.652 0.05 . 1 . . . . 185 Q N . 15680 1 530 . 1 1 126 126 VAL C C 13 174.435 0.04 . 1 . . . . 188 V C . 15680 1 531 . 1 1 126 126 VAL CA C 13 62.970 0.08 . 1 . . . . 188 V CA . 15680 1 532 . 1 1 126 126 VAL CB C 13 32.162 0.08 . 1 . . . . 188 V CB . 15680 1 533 . 1 1 127 127 SER H H 1 9.612 0.005 . 1 . . . . 189 S H . 15680 1 534 . 1 1 127 127 SER C C 13 172.085 0.04 . 1 . . . . 189 S C . 15680 1 535 . 1 1 127 127 SER CA C 13 58.306 0.08 . 1 . . . . 189 S CA . 15680 1 536 . 1 1 127 127 SER CB C 13 65.320 0.08 . 1 . . . . 189 S CB . 15680 1 537 . 1 1 127 127 SER N N 15 121.082 0.05 . 1 . . . . 189 S N . 15680 1 538 . 1 1 128 128 LEU H H 1 8.087 0.005 . 1 . . . . 190 L H . 15680 1 539 . 1 1 128 128 LEU CA C 13 54.632 0.08 . 1 . . . . 190 L CA . 15680 1 540 . 1 1 128 128 LEU CB C 13 44.771 0.08 . 1 . . . . 190 L CB . 15680 1 541 . 1 1 128 128 LEU N N 15 130.076 0.05 . 1 . . . . 190 L N . 15680 1 542 . 1 1 131 131 MET C C 13 173.786 0.04 . 1 . . . . 193 M C . 15680 1 543 . 1 1 131 131 MET CA C 13 53.879 0.08 . 1 . . . . 193 M CA . 15680 1 544 . 1 1 131 131 MET CB C 13 32.709 0.08 . 1 . . . . 193 M CB . 15680 1 545 . 1 1 132 132 LEU H H 1 8.050 0.005 . 1 . . . . 194 L H . 15680 1 546 . 1 1 132 132 LEU C C 13 173.695 0.04 . 1 . . . . 194 L C . 15680 1 547 . 1 1 132 132 LEU CA C 13 54.069 0.08 . 1 . . . . 194 L CA . 15680 1 548 . 1 1 132 132 LEU CB C 13 42.104 0.08 . 1 . . . . 194 L CB . 15680 1 549 . 1 1 132 132 LEU N N 15 124.788 0.05 . 1 . . . . 194 L N . 15680 1 550 . 1 1 133 133 THR H H 1 7.263 0.005 . 1 . . . . 195 T H . 15680 1 551 . 1 1 133 133 THR C C 13 169.890 0.04 . 1 . . . . 195 T C . 15680 1 552 . 1 1 133 133 THR CA C 13 59.711 0.08 . 1 . . . . 195 T CA . 15680 1 553 . 1 1 133 133 THR CB C 13 70.606 0.08 . 1 . . . . 195 T CB . 15680 1 554 . 1 1 133 133 THR N N 15 113.135 0.05 . 1 . . . . 195 T N . 15680 1 555 . 1 1 134 134 GLN H H 1 8.472 0.005 . 1 . . . . 196 Q H . 15680 1 556 . 1 1 134 134 GLN C C 13 175.861 0.04 . 1 . . . . 196 Q C . 15680 1 557 . 1 1 134 134 GLN CA C 13 54.700 0.08 . 1 . . . . 196 Q CA . 15680 1 558 . 1 1 134 134 GLN CB C 13 30.622 0.08 . 1 . . . . 196 Q CB . 15680 1 559 . 1 1 134 134 GLN N N 15 118.042 0.05 . 1 . . . . 196 Q N . 15680 1 560 . 1 1 135 135 LEU H H 1 8.684 0.005 . 1 . . . . 197 L H . 15680 1 561 . 1 1 135 135 LEU C C 13 176.874 0.04 . 1 . . . . 197 L C . 15680 1 562 . 1 1 135 135 LEU CA C 13 57.193 0.08 . 1 . . . . 197 L CA . 15680 1 563 . 1 1 135 135 LEU CB C 13 40.209 0.08 . 1 . . . . 197 L CB . 15680 1 564 . 1 1 135 135 LEU N N 15 123.814 0.05 . 1 . . . . 197 L N . 15680 1 565 . 1 1 136 136 ARG H H 1 7.793 0.005 . 1 . . . . 198 R H . 15680 1 566 . 1 1 136 136 ARG C C 13 175.035 0.04 . 1 . . . . 198 R C . 15680 1 567 . 1 1 136 136 ARG CA C 13 57.255 0.08 . 1 . . . . 198 R CA . 15680 1 568 . 1 1 136 136 ARG CB C 13 39.941 0.08 . 1 . . . . 198 R CB . 15680 1 569 . 1 1 136 136 ARG N N 15 118.306 0.05 . 1 . . . . 198 R N . 15680 1 570 . 1 1 137 137 GLU H H 1 7.980 0.005 . 1 . . . . 199 E H . 15680 1 571 . 1 1 137 137 GLU C C 13 175.012 0.04 . 1 . . . . 199 E C . 15680 1 572 . 1 1 137 137 GLU CA C 13 54.377 0.08 . 1 . . . . 199 E CA . 15680 1 573 . 1 1 137 137 GLU CB C 13 40.754 0.08 . 1 . . . . 199 E CB . 15680 1 574 . 1 1 137 137 GLU N N 15 120.575 0.05 . 1 . . . . 199 E N . 15680 1 575 . 1 1 138 138 GLY H H 1 8.084 0.005 . 1 . . . . 200 G H . 15680 1 576 . 1 1 138 138 GLY C C 13 171.978 0.04 . 1 . . . . 200 G C . 15680 1 577 . 1 1 138 138 GLY CA C 13 45.133 0.08 . 1 . . . . 200 G CA . 15680 1 578 . 1 1 138 138 GLY N N 15 108.915 0.05 . 1 . . . . 200 G N . 15680 1 579 . 1 1 139 139 LYS H H 1 8.082 0.005 . 1 . . . . 201 K H . 15680 1 580 . 1 1 139 139 LYS C C 13 175.540 0.04 . 1 . . . . 201 K C . 15680 1 581 . 1 1 139 139 LYS CA C 13 62.640 0.08 . 1 . . . . 201 K CA . 15680 1 582 . 1 1 139 139 LYS N N 15 120.716 0.05 . 1 . . . . 201 K N . 15680 1 583 . 1 1 140 140 GLU H H 1 8.540 0.005 . 1 . . . . 202 E H . 15680 1 584 . 1 1 140 140 GLU CB C 13 34.799 0.08 . 1 . . . . 202 E CB . 15680 1 585 . 1 1 140 140 GLU N N 15 122.239 0.05 . 1 . . . . 202 E N . 15680 1 586 . 1 1 141 141 LYS C C 13 173.945 0.04 . 1 . . . . 203 K C . 15680 1 587 . 1 1 141 141 LYS CA C 13 56.225 0.08 . 1 . . . . 203 K CA . 15680 1 588 . 1 1 142 142 CYS H H 1 7.776 0.005 . 1 . . . . 204 C H . 15680 1 589 . 1 1 142 142 CYS C C 13 171.992 0.04 . 1 . . . . 204 C C . 15680 1 590 . 1 1 142 142 CYS CA C 13 53.601 0.08 . 1 . . . . 204 C CA . 15680 1 591 . 1 1 142 142 CYS CB C 13 44.144 0.08 . 1 . . . . 204 C CB . 15680 1 592 . 1 1 142 142 CYS N N 15 115.965 0.05 . 1 . . . . 204 C N . 15680 1 593 . 1 1 143 143 VAL H H 1 8.302 0.005 . 1 . . . . 205 V H . 15680 1 594 . 1 1 143 143 VAL C C 13 172.155 0.04 . 1 . . . . 205 V C . 15680 1 595 . 1 1 143 143 VAL CA C 13 55.172 0.08 . 1 . . . . 205 V CA . 15680 1 596 . 1 1 143 143 VAL CB C 13 35.489 0.08 . 1 . . . . 205 V CB . 15680 1 597 . 1 1 143 143 VAL N N 15 121.410 0.05 . 1 . . . . 205 V N . 15680 1 598 . 1 1 144 144 HIS H H 1 9.181 0.005 . 1 . . . . 206 H H . 15680 1 599 . 1 1 144 144 HIS C C 13 172.787 0.04 . 1 . . . . 206 H C . 15680 1 600 . 1 1 144 144 HIS CA C 13 54.956 0.08 . 1 . . . . 206 H CA . 15680 1 601 . 1 1 144 144 HIS CB C 13 34.986 0.08 . 1 . . . . 206 H CB . 15680 1 602 . 1 1 144 144 HIS N N 15 126.444 0.05 . 1 . . . . 206 H N . 15680 1 603 . 1 1 145 145 TYR H H 1 6.170 0.005 . 1 . . . . 207 Y H . 15680 1 604 . 1 1 145 145 TYR C C 13 172.399 0.04 . 1 . . . . 207 Y C . 15680 1 605 . 1 1 145 145 TYR CA C 13 56.177 0.08 . 1 . . . . 207 Y CA . 15680 1 606 . 1 1 145 145 TYR CB C 13 38.335 0.08 . 1 . . . . 207 Y CB . 15680 1 607 . 1 1 145 145 TYR N N 15 120.897 0.05 . 1 . . . . 207 Y N . 15680 1 608 . 1 1 146 146 TRP H H 1 8.635 0.005 . 1 . . . . 208 W H . 15680 1 609 . 1 1 146 146 TRP CA C 13 57.464 0.08 . 1 . . . . 208 W CA . 15680 1 610 . 1 1 146 146 TRP CB C 13 24.743 0.08 . 1 . . . . 208 W CB . 15680 1 611 . 1 1 146 146 TRP N N 15 124.458 0.05 . 1 . . . . 208 W N . 15680 1 612 . 1 1 147 147 PRO C C 13 174.974 0.04 . 1 . . . . 209 P C . 15680 1 613 . 1 1 147 147 PRO CA C 13 61.916 0.08 . 1 . . . . 209 P CA . 15680 1 614 . 1 1 147 147 PRO CB C 13 32.078 0.08 . 1 . . . . 209 P CB . 15680 1 615 . 1 1 148 148 THR H H 1 8.228 0.005 . 1 . . . . 210 T H . 15680 1 616 . 1 1 148 148 THR C C 13 173.928 0.04 . 1 . . . . 210 T C . 15680 1 617 . 1 1 148 148 THR CA C 13 64.719 0.08 . 1 . . . . 210 T CA . 15680 1 618 . 1 1 148 148 THR CB C 13 68.071 0.08 . 1 . . . . 210 T CB . 15680 1 619 . 1 1 148 148 THR N N 15 113.285 0.05 . 1 . . . . 210 T N . 15680 1 620 . 1 1 149 149 GLU H H 1 7.992 0.005 . 1 . . . . 211 E H . 15680 1 621 . 1 1 149 149 GLU C C 13 171.738 0.04 . 1 . . . . 211 E C . 15680 1 622 . 1 1 149 149 GLU CA C 13 58.721 0.08 . 1 . . . . 211 E CA . 15680 1 623 . 1 1 149 149 GLU CB C 13 31.002 0.08 . 1 . . . . 211 E CB . 15680 1 624 . 1 1 149 149 GLU N N 15 121.345 0.05 . 1 . . . . 211 E N . 15680 1 625 . 1 1 150 150 GLU H H 1 7.928 0.005 . 1 . . . . 212 E H . 15680 1 626 . 1 1 150 150 GLU C C 13 172.706 0.04 . 1 . . . . 212 E C . 15680 1 627 . 1 1 150 150 GLU CA C 13 55.011 0.08 . 1 . . . . 212 E CA . 15680 1 628 . 1 1 150 150 GLU CB C 13 31.335 0.08 . 1 . . . . 212 E CB . 15680 1 629 . 1 1 150 150 GLU N N 15 119.286 0.05 . 1 . . . . 212 E N . 15680 1 630 . 1 1 151 151 GLU H H 1 8.691 0.005 . 1 . . . . 213 E H . 15680 1 631 . 1 1 151 151 GLU C C 13 175.862 0.04 . 1 . . . . 213 E C . 15680 1 632 . 1 1 151 151 GLU CA C 13 54.897 0.08 . 1 . . . . 213 E CA . 15680 1 633 . 1 1 151 151 GLU CB C 13 33.246 0.08 . 1 . . . . 213 E CB . 15680 1 634 . 1 1 151 151 GLU N N 15 123.939 0.05 . 1 . . . . 213 E N . 15680 1 635 . 1 1 152 152 THR H H 1 8.497 0.005 . 1 . . . . 214 T H . 15680 1 636 . 1 1 152 152 THR C C 13 172.122 0.04 . 1 . . . . 214 T C . 15680 1 637 . 1 1 152 152 THR CA C 13 60.949 0.08 . 1 . . . . 214 T CA . 15680 1 638 . 1 1 152 152 THR CB C 13 69.769 0.08 . 1 . . . . 214 T CB . 15680 1 639 . 1 1 152 152 THR N N 15 118.914 0.05 . 1 . . . . 214 T N . 15680 1 640 . 1 1 153 153 TYR H H 1 8.882 0.005 . 1 . . . . 215 Y H . 15680 1 641 . 1 1 153 153 TYR C C 13 173.997 0.04 . 1 . . . . 215 Y C . 15680 1 642 . 1 1 153 153 TYR CA C 13 55.457 0.08 . 1 . . . . 215 Y CA . 15680 1 643 . 1 1 153 153 TYR CB C 13 39.231 0.08 . 1 . . . . 215 Y CB . 15680 1 644 . 1 1 153 153 TYR N N 15 126.779 0.05 . 1 . . . . 215 Y N . 15680 1 645 . 1 1 154 154 GLY H H 1 8.857 0.005 . 1 . . . . 216 G H . 15680 1 646 . 1 1 154 154 GLY CA C 13 44.399 0.08 . 1 . . . . 216 G CA . 15680 1 647 . 1 1 154 154 GLY N N 15 115.714 0.05 . 1 . . . . 216 G N . 15680 1 648 . 1 1 155 155 PRO C C 13 176.966 0.04 . 1 . . . . 217 P C . 15680 1 649 . 1 1 155 155 PRO CA C 13 65.525 0.08 . 1 . . . . 217 P CA . 15680 1 650 . 1 1 155 155 PRO CB C 13 31.770 0.08 . 1 . . . . 217 P CB . 15680 1 651 . 1 1 156 156 PHE H H 1 7.280 0.005 . 1 . . . . 218 F H . 15680 1 652 . 1 1 156 156 PHE C C 13 173.247 0.04 . 1 . . . . 218 F C . 15680 1 653 . 1 1 156 156 PHE CA C 13 57.126 0.08 . 1 . . . . 218 F CA . 15680 1 654 . 1 1 156 156 PHE CB C 13 40.434 0.08 . 1 . . . . 218 F CB . 15680 1 655 . 1 1 156 156 PHE N N 15 117.731 0.05 . 1 . . . . 218 F N . 15680 1 656 . 1 1 157 157 GLN H H 1 8.539 0.005 . 1 . . . . 219 Q H . 15680 1 657 . 1 1 157 157 GLN C C 13 173.982 0.04 . 1 . . . . 219 Q C . 15680 1 658 . 1 1 157 157 GLN CA C 13 54.943 0.08 . 1 . . . . 219 Q CA . 15680 1 659 . 1 1 157 157 GLN CB C 13 30.203 0.08 . 1 . . . . 219 Q CB . 15680 1 660 . 1 1 157 157 GLN N N 15 122.177 0.05 . 1 . . . . 219 Q N . 15680 1 661 . 1 1 158 158 ILE H H 1 9.005 0.005 . 1 . . . . 220 I H . 15680 1 662 . 1 1 158 158 ILE C C 13 172.282 0.04 . 1 . . . . 220 I C . 15680 1 663 . 1 1 158 158 ILE CA C 13 59.443 0.08 . 1 . . . . 220 I CA . 15680 1 664 . 1 1 158 158 ILE CB C 13 38.416 0.08 . 1 . . . . 220 I CB . 15680 1 665 . 1 1 158 158 ILE N N 15 127.461 0.05 . 1 . . . . 220 I N . 15680 1 666 . 1 1 159 159 ARG H H 1 8.566 0.005 . 1 . . . . 221 R H . 15680 1 667 . 1 1 159 159 ARG C C 13 173.861 0.04 . 1 . . . . 221 R C . 15680 1 668 . 1 1 159 159 ARG CA C 13 53.502 0.08 . 1 . . . . 221 R CA . 15680 1 669 . 1 1 159 159 ARG CB C 13 33.856 0.08 . 1 . . . . 221 R CB . 15680 1 670 . 1 1 159 159 ARG N N 15 125.309 0.05 . 1 . . . . 221 R N . 15680 1 671 . 1 1 160 160 ILE H H 1 8.221 0.005 . 1 . . . . 222 I H . 15680 1 672 . 1 1 160 160 ILE C C 13 173.688 0.04 . 1 . . . . 222 I C . 15680 1 673 . 1 1 160 160 ILE CA C 13 59.425 0.08 . 1 . . . . 222 I CA . 15680 1 674 . 1 1 160 160 ILE CB C 13 36.653 0.08 . 1 . . . . 222 I CB . 15680 1 675 . 1 1 160 160 ILE N N 15 122.230 0.05 . 1 . . . . 222 I N . 15680 1 676 . 1 1 161 161 GLN H H 1 9.375 0.005 . 1 . . . . 223 Q H . 15680 1 677 . 1 1 161 161 GLN C C 13 174.670 0.04 . 1 . . . . 223 Q C . 15680 1 678 . 1 1 161 161 GLN CA C 13 56.177 0.08 . 1 . . . . 223 Q CA . 15680 1 679 . 1 1 161 161 GLN CB C 13 29.481 0.08 . 1 . . . . 223 Q CB . 15680 1 680 . 1 1 161 161 GLN N N 15 128.006 0.05 . 1 . . . . 223 Q N . 15680 1 681 . 1 1 162 162 ASP H H 1 8.357 0.005 . 1 . . . . 224 D H . 15680 1 682 . 1 1 162 162 ASP C C 13 172.459 0.04 . 1 . . . . 224 D C . 15680 1 683 . 1 1 162 162 ASP CA C 13 59.717 0.08 . 1 . . . . 224 D CA . 15680 1 684 . 1 1 162 162 ASP N N 15 122.544 0.05 . 1 . . . . 224 D N . 15680 1 685 . 1 1 163 163 MET H H 1 8.489 0.005 . 1 . . . . 225 M H . 15680 1 686 . 1 1 163 163 MET C C 13 170.593 0.04 . 1 . . . . 225 M C . 15680 1 687 . 1 1 163 163 MET CA C 13 54.639 0.08 . 1 . . . . 225 M CA . 15680 1 688 . 1 1 163 163 MET CB C 13 34.238 0.08 . 1 . . . . 225 M CB . 15680 1 689 . 1 1 163 163 MET N N 15 119.861 0.05 . 1 . . . . 225 M N . 15680 1 690 . 1 1 164 164 LYS H H 1 6.597 0.005 . 1 . . . . 226 K H . 15680 1 691 . 1 1 164 164 LYS C C 13 174.530 0.04 . 1 . . . . 226 K C . 15680 1 692 . 1 1 164 164 LYS CA C 13 56.753 0.08 . 1 . . . . 226 K CA . 15680 1 693 . 1 1 164 164 LYS CB C 13 29.047 0.08 . 1 . . . . 226 K CB . 15680 1 694 . 1 1 164 164 LYS N N 15 118.278 0.05 . 1 . . . . 226 K N . 15680 1 695 . 1 1 165 165 GLU H H 1 7.914 0.005 . 1 . . . . 227 E H . 15680 1 696 . 1 1 165 165 GLU C C 13 174.671 0.04 . 1 . . . . 227 E C . 15680 1 697 . 1 1 165 165 GLU CA C 13 56.665 0.08 . 1 . . . . 227 E CA . 15680 1 698 . 1 1 165 165 GLU CB C 13 29.622 0.08 . 1 . . . . 227 E CB . 15680 1 699 . 1 1 165 165 GLU N N 15 121.425 0.05 . 1 . . . . 227 E N . 15680 1 700 . 1 1 166 166 CYS H H 1 8.358 0.005 . 1 . . . . 228 C H . 15680 1 701 . 1 1 166 166 CYS CA C 13 53.796 0.08 . 1 . . . . 228 C CA . 15680 1 702 . 1 1 166 166 CYS CB C 13 29.194 0.08 . 1 . . . . 228 C CB . 15680 1 703 . 1 1 166 166 CYS N N 15 123.018 0.05 . 1 . . . . 228 C N . 15680 1 704 . 1 1 167 167 PRO C C 13 176.484 0.04 . 1 . . . . 229 P C . 15680 1 705 . 1 1 167 167 PRO CA C 13 65.864 0.08 . 1 . . . . 229 P CA . 15680 1 706 . 1 1 167 167 PRO CB C 13 30.978 0.08 . 1 . . . . 229 P CB . 15680 1 707 . 1 1 168 168 GLU H H 1 7.901 0.005 . 1 . . . . 230 E H . 15680 1 708 . 1 1 168 168 GLU C C 13 173.354 0.04 . 1 . . . . 230 E C . 15680 1 709 . 1 1 168 168 GLU CA C 13 56.516 0.08 . 1 . . . . 230 E CA . 15680 1 710 . 1 1 168 168 GLU CB C 13 29.985 0.08 . 1 . . . . 230 E CB . 15680 1 711 . 1 1 168 168 GLU N N 15 111.602 0.05 . 1 . . . . 230 E N . 15680 1 712 . 1 1 169 169 TYR H H 1 6.748 0.005 . 1 . . . . 231 Y H . 15680 1 713 . 1 1 169 169 TYR C C 13 172.021 0.04 . 1 . . . . 231 Y C . 15680 1 714 . 1 1 169 169 TYR CA C 13 55.837 0.08 . 1 . . . . 231 Y CA . 15680 1 715 . 1 1 169 169 TYR CB C 13 39.697 0.08 . 1 . . . . 231 Y CB . 15680 1 716 . 1 1 169 169 TYR N N 15 112.114 0.05 . 1 . . . . 231 Y N . 15680 1 717 . 1 1 170 170 THR H H 1 8.731 0.005 . 1 . . . . 232 T H . 15680 1 718 . 1 1 170 170 THR C C 13 173.120 0.04 . 1 . . . . 232 T C . 15680 1 719 . 1 1 170 170 THR CA C 13 61.414 0.08 . 1 . . . . 232 T CA . 15680 1 720 . 1 1 170 170 THR CB C 13 70.929 0.08 . 1 . . . . 232 T CB . 15680 1 721 . 1 1 170 170 THR N N 15 115.739 0.05 . 1 . . . . 232 T N . 15680 1 722 . 1 1 171 171 VAL H H 1 7.872 0.005 . 1 . . . . 233 V H . 15680 1 723 . 1 1 171 171 VAL C C 13 176.362 0.04 . 1 . . . . 233 V C . 15680 1 724 . 1 1 171 171 VAL CA C 13 59.615 0.08 . 1 . . . . 233 V CA . 15680 1 725 . 1 1 171 171 VAL CB C 13 29.087 0.08 . 1 . . . . 233 V CB . 15680 1 726 . 1 1 171 171 VAL N N 15 118.361 0.05 . 1 . . . . 233 V N . 15680 1 727 . 1 1 172 172 ARG H H 1 8.622 0.005 . 1 . . . . 234 R H . 15680 1 728 . 1 1 172 172 ARG C C 13 171.335 0.04 . 1 . . . . 234 R C . 15680 1 729 . 1 1 172 172 ARG CA C 13 59.696 0.08 . 1 . . . . 234 R CA . 15680 1 730 . 1 1 172 172 ARG CB C 13 28.299 0.08 . 1 . . . . 234 R CB . 15680 1 731 . 1 1 172 172 ARG N N 15 120.570 0.05 . 1 . . . . 234 R N . 15680 1 732 . 1 1 173 173 GLN H H 1 7.540 0.005 . 1 . . . . 235 Q H . 15680 1 733 . 1 1 173 173 GLN CA C 13 60.642 0.08 . 1 . . . . 235 Q CA . 15680 1 734 . 1 1 173 173 GLN CB C 13 32.272 0.08 . 1 . . . . 235 Q CB . 15680 1 735 . 1 1 173 173 GLN N N 15 121.474 0.05 . 1 . . . . 235 Q N . 15680 1 736 . 1 1 179 179 GLN C C 13 174.662 0.04 . 1 . . . . 241 Q C . 15680 1 737 . 1 1 179 179 GLN CA C 13 57.689 0.08 . 1 . . . . 241 Q CA . 15680 1 738 . 1 1 180 180 GLU H H 1 8.368 0.005 . 1 . . . . 242 E H . 15680 1 739 . 1 1 180 180 GLU C C 13 174.259 0.04 . 1 . . . . 242 E C . 15680 1 740 . 1 1 180 180 GLU CA C 13 56.410 0.08 . 1 . . . . 242 E CA . 15680 1 741 . 1 1 180 180 GLU CB C 13 28.758 0.08 . 1 . . . . 242 E CB . 15680 1 742 . 1 1 180 180 GLU N N 15 120.562 0.05 . 1 . . . . 242 E N . 15680 1 743 . 1 1 181 181 GLU H H 1 8.396 0.005 . 1 . . . . 243 E H . 15680 1 744 . 1 1 181 181 GLU C C 13 172.911 0.04 . 1 . . . . 243 E C . 15680 1 745 . 1 1 181 181 GLU CA C 13 56.112 0.08 . 1 . . . . 243 E CA . 15680 1 746 . 1 1 181 181 GLU CB C 13 31.182 0.08 . 1 . . . . 243 E CB . 15680 1 747 . 1 1 181 181 GLU N N 15 123.872 0.05 . 1 . . . . 243 E N . 15680 1 748 . 1 1 182 182 ARG H H 1 8.590 0.005 . 1 . . . . 244 R H . 15680 1 749 . 1 1 182 182 ARG C C 13 174.172 0.04 . 1 . . . . 244 R C . 15680 1 750 . 1 1 182 182 ARG CA C 13 54.641 0.08 . 1 . . . . 244 R CA . 15680 1 751 . 1 1 182 182 ARG CB C 13 32.733 0.08 . 1 . . . . 244 R CB . 15680 1 752 . 1 1 182 182 ARG N N 15 124.517 0.05 . 1 . . . . 244 R N . 15680 1 753 . 1 1 183 183 ARG H H 1 9.287 0.005 . 1 . . . . 245 R H . 15680 1 754 . 1 1 183 183 ARG C C 13 173.529 0.04 . 1 . . . . 245 R C . 15680 1 755 . 1 1 183 183 ARG CA C 13 54.256 0.08 . 1 . . . . 245 R CA . 15680 1 756 . 1 1 183 183 ARG CB C 13 34.114 0.08 . 1 . . . . 245 R CB . 15680 1 757 . 1 1 183 183 ARG N N 15 123.507 0.05 . 1 . . . . 245 R N . 15680 1 758 . 1 1 184 184 SER H H 1 8.529 0.005 . 1 . . . . 246 S H . 15680 1 759 . 1 1 184 184 SER C C 13 172.737 0.04 . 1 . . . . 246 S C . 15680 1 760 . 1 1 184 184 SER CA C 13 57.452 0.08 . 1 . . . . 246 S CA . 15680 1 761 . 1 1 184 184 SER CB C 13 64.207 0.08 . 1 . . . . 246 S CB . 15680 1 762 . 1 1 184 184 SER N N 15 116.905 0.05 . 1 . . . . 246 S N . 15680 1 763 . 1 1 185 185 VAL H H 1 8.917 0.005 . 1 . . . . 247 V H . 15680 1 764 . 1 1 185 185 VAL C C 13 175.524 0.04 . 1 . . . . 247 V C . 15680 1 765 . 1 1 185 185 VAL CA C 13 62.703 0.08 . 1 . . . . 247 V CA . 15680 1 766 . 1 1 185 185 VAL CB C 13 31.290 0.08 . 1 . . . . 247 V CB . 15680 1 767 . 1 1 185 185 VAL N N 15 125.809 0.05 . 1 . . . . 247 V N . 15680 1 768 . 1 1 186 186 LYS H H 1 8.584 0.005 . 1 . . . . 248 K H . 15680 1 769 . 1 1 186 186 LYS C C 13 173.571 0.04 . 1 . . . . 248 K C . 15680 1 770 . 1 1 186 186 LYS CA C 13 56.633 0.08 . 1 . . . . 248 K CA . 15680 1 771 . 1 1 186 186 LYS CB C 13 29.470 0.08 . 1 . . . . 248 K CB . 15680 1 772 . 1 1 186 186 LYS N N 15 122.934 0.05 . 1 . . . . 248 K N . 15680 1 773 . 1 1 187 187 HIS H H 1 7.816 0.005 . 1 . . . . 249 H H . 15680 1 774 . 1 1 187 187 HIS CA C 13 53.293 0.08 . 1 . . . . 249 H CA . 15680 1 775 . 1 1 187 187 HIS CB C 13 31.148 0.08 . 1 . . . . 249 H CB . 15680 1 776 . 1 1 187 187 HIS N N 15 120.787 0.05 . 1 . . . . 249 H N . 15680 1 777 . 1 1 188 188 ILE C C 13 174.467 0.04 . 1 . . . . 250 I C . 15680 1 778 . 1 1 188 188 ILE CA C 13 62.555 0.08 . 1 . . . . 250 I CA . 15680 1 779 . 1 1 188 188 ILE CB C 13 31.540 0.08 . 1 . . . . 250 I CB . 15680 1 780 . 1 1 189 189 LEU H H 1 8.297 0.005 . 1 . . . . 251 L H . 15680 1 781 . 1 1 189 189 LEU C C 13 173.497 0.04 . 1 . . . . 251 L C . 15680 1 782 . 1 1 189 189 LEU CA C 13 62.414 0.08 . 1 . . . . 251 L CA . 15680 1 783 . 1 1 189 189 LEU CB C 13 40.480 0.08 . 1 . . . . 251 L CB . 15680 1 784 . 1 1 189 189 LEU N N 15 120.333 0.05 . 1 . . . . 251 L N . 15680 1 785 . 1 1 190 190 PHE H H 1 7.702 0.005 . 1 . . . . 252 F H . 15680 1 786 . 1 1 190 190 PHE C C 13 172.632 0.04 . 1 . . . . 252 F C . 15680 1 787 . 1 1 190 190 PHE CA C 13 56.776 0.08 . 1 . . . . 252 F CA . 15680 1 788 . 1 1 190 190 PHE CB C 13 40.486 0.08 . 1 . . . . 252 F CB . 15680 1 789 . 1 1 190 190 PHE N N 15 118.483 0.05 . 1 . . . . 252 F N . 15680 1 790 . 1 1 191 191 SER H H 1 8.257 0.005 . 1 . . . . 253 S H . 15680 1 791 . 1 1 191 191 SER C C 13 172.323 0.04 . 1 . . . . 253 S C . 15680 1 792 . 1 1 191 191 SER CA C 13 57.727 0.08 . 1 . . . . 253 S CA . 15680 1 793 . 1 1 191 191 SER CB C 13 63.646 0.08 . 1 . . . . 253 S CB . 15680 1 794 . 1 1 191 191 SER N N 15 122.170 0.05 . 1 . . . . 253 S N . 15680 1 795 . 1 1 192 192 ALA H H 1 5.452 0.005 . 1 . . . . 254 A H . 15680 1 796 . 1 1 192 192 ALA C C 13 173.857 0.04 . 1 . . . . 254 A C . 15680 1 797 . 1 1 192 192 ALA CA C 13 50.609 0.08 . 1 . . . . 254 A CA . 15680 1 798 . 1 1 192 192 ALA CB C 13 18.872 0.08 . 1 . . . . 254 A CB . 15680 1 799 . 1 1 192 192 ALA N N 15 121.315 0.05 . 1 . . . . 254 A N . 15680 1 800 . 1 1 193 193 TRP H H 1 8.071 0.005 . 1 . . . . 255 W H . 15680 1 801 . 1 1 193 193 TRP CA C 13 55.653 0.08 . 1 . . . . 255 W CA . 15680 1 802 . 1 1 193 193 TRP CB C 13 28.413 0.08 . 1 . . . . 255 W CB . 15680 1 803 . 1 1 193 193 TRP N N 15 124.677 0.05 . 1 . . . . 255 W N . 15680 1 804 . 1 1 194 194 PRO C C 13 171.007 0.04 . 1 . . . . 256 P C . 15680 1 805 . 1 1 194 194 PRO CA C 13 60.735 0.08 . 1 . . . . 256 P CA . 15680 1 806 . 1 1 194 194 PRO CB C 13 33.765 0.08 . 1 . . . . 256 P CB . 15680 1 807 . 1 1 195 195 ASP H H 1 8.606 0.005 . 1 . . . . 257 D H . 15680 1 808 . 1 1 195 195 ASP C C 13 173.054 0.04 . 1 . . . . 257 D C . 15680 1 809 . 1 1 195 195 ASP CA C 13 55.104 0.08 . 1 . . . . 257 D CA . 15680 1 810 . 1 1 195 195 ASP CB C 13 34.953 0.08 . 1 . . . . 257 D CB . 15680 1 811 . 1 1 195 195 ASP N N 15 129.936 0.05 . 1 . . . . 257 D N . 15680 1 812 . 1 1 196 196 HIS H H 1 9.018 0.005 . 1 . . . . 258 H H . 15680 1 813 . 1 1 196 196 HIS C C 13 173.785 0.04 . 1 . . . . 258 H C . 15680 1 814 . 1 1 196 196 HIS CA C 13 55.937 0.08 . 1 . . . . 258 H CA . 15680 1 815 . 1 1 196 196 HIS CB C 13 30.510 0.08 . 1 . . . . 258 H CB . 15680 1 816 . 1 1 196 196 HIS N N 15 127.218 0.05 . 1 . . . . 258 H N . 15680 1 817 . 1 1 197 197 GLN H H 1 8.174 0.005 . 1 . . . . 259 Q H . 15680 1 818 . 1 1 197 197 GLN C C 13 173.141 0.04 . 1 . . . . 259 Q C . 15680 1 819 . 1 1 197 197 GLN CA C 13 55.806 0.08 . 1 . . . . 259 Q CA . 15680 1 820 . 1 1 197 197 GLN CB C 13 27.624 0.08 . 1 . . . . 259 Q CB . 15680 1 821 . 1 1 197 197 GLN N N 15 124.124 0.05 . 1 . . . . 259 Q N . 15680 1 822 . 1 1 198 198 THR H H 1 7.632 0.005 . 1 . . . . 260 T H . 15680 1 823 . 1 1 198 198 THR CA C 13 58.894 0.08 . 1 . . . . 260 T CA . 15680 1 824 . 1 1 198 198 THR CB C 13 68.684 0.08 . 1 . . . . 260 T CB . 15680 1 825 . 1 1 198 198 THR N N 15 115.135 0.05 . 1 . . . . 260 T N . 15680 1 826 . 1 1 199 199 PRO C C 13 176.579 0.04 . 1 . . . . 261 P C . 15680 1 827 . 1 1 199 199 PRO CA C 13 65.355 0.08 . 1 . . . . 261 P CA . 15680 1 828 . 1 1 200 200 GLU H H 1 8.441 0.005 . 1 . . . . 262 E H . 15680 1 829 . 1 1 200 200 GLU C C 13 176.427 0.04 . 1 . . . . 262 E C . 15680 1 830 . 1 1 200 200 GLU CA C 13 58.148 0.08 . 1 . . . . 262 E CA . 15680 1 831 . 1 1 200 200 GLU CB C 13 28.114 0.08 . 1 . . . . 262 E CB . 15680 1 832 . 1 1 200 200 GLU N N 15 115.763 0.05 . 1 . . . . 262 E N . 15680 1 833 . 1 1 201 201 SER H H 1 7.896 0.005 . 1 . . . . 263 S H . 15680 1 834 . 1 1 201 201 SER CA C 13 58.992 0.08 . 1 . . . . 263 S CA . 15680 1 835 . 1 1 201 201 SER CB C 13 63.747 0.08 . 1 . . . . 263 S CB . 15680 1 836 . 1 1 201 201 SER N N 15 115.882 0.05 . 1 . . . . 263 S N . 15680 1 837 . 1 1 202 202 ALA C C 13 176.476 0.04 . 1 . . . . 264 A C . 15680 1 838 . 1 1 202 202 ALA CA C 13 53.495 0.08 . 1 . . . . 264 A CA . 15680 1 839 . 1 1 202 202 ALA CB C 13 20.126 0.08 . 1 . . . . 264 A CB . 15680 1 840 . 1 1 203 203 GLY H H 1 8.037 0.005 . 1 . . . . 265 G H . 15680 1 841 . 1 1 203 203 GLY CA C 13 48.105 0.08 . 1 . . . . 265 G CA . 15680 1 842 . 1 1 203 203 GLY N N 15 105.324 0.05 . 1 . . . . 265 G N . 15680 1 843 . 1 1 205 205 LEU C C 13 173.424 0.04 . 1 . . . . 267 L C . 15680 1 844 . 1 1 205 205 LEU CA C 13 53.247 0.08 . 1 . . . . 267 L CA . 15680 1 845 . 1 1 205 205 LEU CB C 13 39.045 0.08 . 1 . . . . 267 L CB . 15680 1 846 . 1 1 206 206 LEU H H 1 7.488 0.005 . 1 . . . . 268 L H . 15680 1 847 . 1 1 206 206 LEU C C 13 179.145 0.04 . 1 . . . . 268 L C . 15680 1 848 . 1 1 206 206 LEU CA C 13 57.480 0.08 . 1 . . . . 268 L CA . 15680 1 849 . 1 1 206 206 LEU CB C 13 39.639 0.08 . 1 . . . . 268 L CB . 15680 1 850 . 1 1 206 206 LEU N N 15 120.281 0.05 . 1 . . . . 268 L N . 15680 1 851 . 1 1 207 207 ARG H H 1 8.084 0.005 . 1 . . . . 269 R H . 15680 1 852 . 1 1 207 207 ARG C C 13 177.396 0.04 . 1 . . . . 269 R C . 15680 1 853 . 1 1 207 207 ARG CA C 13 59.488 0.08 . 1 . . . . 269 R CA . 15680 1 854 . 1 1 207 207 ARG CB C 13 29.373 0.08 . 1 . . . . 269 R CB . 15680 1 855 . 1 1 207 207 ARG N N 15 121.182 0.05 . 1 . . . . 269 R N . 15680 1 856 . 1 1 208 208 LEU H H 1 7.933 0.005 . 1 . . . . 270 L H . 15680 1 857 . 1 1 208 208 LEU C C 13 176.542 0.04 . 1 . . . . 270 L C . 15680 1 858 . 1 1 208 208 LEU CA C 13 57.524 0.08 . 1 . . . . 270 L CA . 15680 1 859 . 1 1 208 208 LEU CB C 13 39.505 0.08 . 1 . . . . 270 L CB . 15680 1 860 . 1 1 208 208 LEU N N 15 123.439 0.05 . 1 . . . . 270 L N . 15680 1 861 . 1 1 209 209 VAL H H 1 8.026 0.005 . 1 . . . . 271 V H . 15680 1 862 . 1 1 209 209 VAL C C 13 176.131 0.04 . 1 . . . . 271 V C . 15680 1 863 . 1 1 209 209 VAL CA C 13 67.122 0.08 . 1 . . . . 271 V CA . 15680 1 864 . 1 1 209 209 VAL CB C 13 30.318 0.08 . 1 . . . . 271 V CB . 15680 1 865 . 1 1 209 209 VAL N N 15 118.746 0.05 . 1 . . . . 271 V N . 15680 1 866 . 1 1 210 210 ALA H H 1 7.788 0.005 . 1 . . . . 272 A H . 15680 1 867 . 1 1 210 210 ALA C C 13 177.862 0.04 . 1 . . . . 272 A C . 15680 1 868 . 1 1 210 210 ALA CA C 13 54.871 0.08 . 1 . . . . 272 A CA . 15680 1 869 . 1 1 210 210 ALA CB C 13 17.214 0.08 . 1 . . . . 272 A CB . 15680 1 870 . 1 1 210 210 ALA N N 15 121.364 0.05 . 1 . . . . 272 A N . 15680 1 871 . 1 1 211 211 GLU H H 1 7.713 0.005 . 1 . . . . 273 E H . 15680 1 872 . 1 1 211 211 GLU C C 13 177.453 0.04 . 1 . . . . 273 E C . 15680 1 873 . 1 1 211 211 GLU CA C 13 57.991 0.08 . 1 . . . . 273 E CA . 15680 1 874 . 1 1 211 211 GLU CB C 13 28.002 0.08 . 1 . . . . 273 E CB . 15680 1 875 . 1 1 211 211 GLU N N 15 119.757 0.05 . 1 . . . . 273 E N . 15680 1 876 . 1 1 212 212 VAL H H 1 7.624 0.005 . 1 . . . . 274 V H . 15680 1 877 . 1 1 212 212 VAL C C 13 175.829 0.04 . 1 . . . . 274 V C . 15680 1 878 . 1 1 212 212 VAL CA C 13 64.975 0.08 . 1 . . . . 274 V CA . 15680 1 879 . 1 1 212 212 VAL CB C 13 30.491 0.08 . 1 . . . . 274 V CB . 15680 1 880 . 1 1 212 212 VAL N N 15 117.692 0.05 . 1 . . . . 274 V N . 15680 1 881 . 1 1 213 213 GLU H H 1 8.144 0.005 . 1 . . . . 275 E H . 15680 1 882 . 1 1 213 213 GLU C C 13 176.063 0.04 . 1 . . . . 275 E C . 15680 1 883 . 1 1 213 213 GLU CA C 13 57.586 0.08 . 1 . . . . 275 E CA . 15680 1 884 . 1 1 213 213 GLU CB C 13 29.148 0.08 . 1 . . . . 275 E CB . 15680 1 885 . 1 1 213 213 GLU N N 15 120.743 0.05 . 1 . . . . 275 E N . 15680 1 886 . 1 1 214 214 GLU H H 1 7.845 0.005 . 1 . . . . 276 E H . 15680 1 887 . 1 1 214 214 GLU C C 13 174.939 0.04 . 1 . . . . 276 E C . 15680 1 888 . 1 1 214 214 GLU CA C 13 55.733 0.08 . 1 . . . . 276 E CA . 15680 1 889 . 1 1 214 214 GLU CB C 13 28.940 0.08 . 1 . . . . 276 E CB . 15680 1 890 . 1 1 214 214 GLU N N 15 118.088 0.05 . 1 . . . . 276 E N . 15680 1 891 . 1 1 215 215 SER H H 1 7.628 0.005 . 1 . . . . 277 S H . 15680 1 892 . 1 1 215 215 SER CA C 13 56.984 0.08 . 1 . . . . 277 S CA . 15680 1 893 . 1 1 215 215 SER CB C 13 63.119 0.08 . 1 . . . . 277 S CB . 15680 1 894 . 1 1 215 215 SER N N 15 118.487 0.05 . 1 . . . . 277 S N . 15680 1 895 . 1 1 216 216 PRO C C 13 176.230 0.04 . 1 . . . . 278 P C . 15680 1 896 . 1 1 216 216 PRO CA C 13 63.883 0.08 . 1 . . . . 278 P CA . 15680 1 897 . 1 1 216 216 PRO CB C 13 31.185 0.08 . 1 . . . . 278 P CB . 15680 1 898 . 1 1 217 217 GLU H H 1 8.867 0.005 . 1 . . . . 279 E H . 15680 1 899 . 1 1 217 217 GLU C C 13 175.871 0.04 . 1 . . . . 279 E C . 15680 1 900 . 1 1 217 217 GLU CA C 13 58.083 0.08 . 1 . . . . 279 E CA . 15680 1 901 . 1 1 217 217 GLU CB C 13 28.863 0.08 . 1 . . . . 279 E CB . 15680 1 902 . 1 1 217 217 GLU N N 15 119.433 0.05 . 1 . . . . 279 E N . 15680 1 903 . 1 1 218 218 THR H H 1 7.714 0.005 . 1 . . . . 280 T H . 15680 1 904 . 1 1 218 218 THR C C 13 173.263 0.04 . 1 . . . . 280 T C . 15680 1 905 . 1 1 218 218 THR CA C 13 62.142 0.08 . 1 . . . . 280 T CA . 15680 1 906 . 1 1 218 218 THR CB C 13 68.809 0.08 . 1 . . . . 280 T CB . 15680 1 907 . 1 1 218 218 THR N N 15 113.012 0.05 . 1 . . . . 280 T N . 15680 1 908 . 1 1 219 219 ALA H H 1 7.718 0.005 . 1 . . . . 281 A H . 15680 1 909 . 1 1 219 219 ALA C C 13 176.142 0.04 . 1 . . . . 281 A C . 15680 1 910 . 1 1 219 219 ALA CA C 13 52.507 0.08 . 1 . . . . 281 A CA . 15680 1 911 . 1 1 219 219 ALA CB C 13 18.603 0.08 . 1 . . . . 281 A CB . 15680 1 912 . 1 1 219 219 ALA N N 15 124.760 0.05 . 1 . . . . 281 A N . 15680 1 913 . 1 1 220 220 ALA H H 1 7.880 0.005 . 1 . . . . 282 A H . 15680 1 914 . 1 1 220 220 ALA C C 13 177.368 0.04 . 1 . . . . 282 A C . 15680 1 915 . 1 1 220 220 ALA CA C 13 52.795 0.08 . 1 . . . . 282 A CA . 15680 1 916 . 1 1 220 220 ALA CB C 13 18.509 0.08 . 1 . . . . 282 A CB . 15680 1 917 . 1 1 220 220 ALA N N 15 121.113 0.05 . 1 . . . . 282 A N . 15680 1 918 . 1 1 221 221 HIS H H 1 7.858 0.005 . 1 . . . . 283 H H . 15680 1 919 . 1 1 221 221 HIS CB C 13 29.366 0.08 . 1 . . . . 283 H CB . 15680 1 920 . 1 1 221 221 HIS N N 15 117.556 0.05 . 1 . . . . 283 H N . 15680 1 921 . 1 1 222 222 PRO C C 13 175.637 0.04 . 1 . . . . 284 P C . 15680 1 922 . 1 1 222 222 PRO CA C 13 63.171 0.08 . 1 . . . . 284 P CA . 15680 1 923 . 1 1 222 222 PRO CB C 13 31.265 0.08 . 1 . . . . 284 P CB . 15680 1 924 . 1 1 223 223 GLY H H 1 8.018 0.005 . 1 . . . . 285 G H . 15680 1 925 . 1 1 223 223 GLY CA C 13 44.005 0.08 . 1 . . . . 285 G CA . 15680 1 926 . 1 1 223 223 GLY N N 15 110.034 0.05 . 1 . . . . 285 G N . 15680 1 927 . 1 1 224 224 PRO C C 13 177.688 0.04 . 1 . . . . 286 P C . 15680 1 928 . 1 1 224 224 PRO CA C 13 65.952 0.08 . 1 . . . . 286 P CA . 15680 1 929 . 1 1 224 224 PRO CB C 13 31.043 0.08 . 1 . . . . 286 P CB . 15680 1 930 . 1 1 225 225 ILE H H 1 7.915 0.005 . 1 . . . . 287 I H . 15680 1 931 . 1 1 225 225 ILE C C 13 177.413 0.04 . 1 . . . . 287 I C . 15680 1 932 . 1 1 225 225 ILE CA C 13 58.385 0.08 . 1 . . . . 287 I CA . 15680 1 933 . 1 1 225 225 ILE CB C 13 31.446 0.08 . 1 . . . . 287 I CB . 15680 1 934 . 1 1 225 225 ILE N N 15 117.140 0.05 . 1 . . . . 287 I N . 15680 1 935 . 1 1 226 226 VAL H H 1 7.591 0.005 . 1 . . . . 288 V H . 15680 1 936 . 1 1 226 226 VAL C C 13 173.850 0.04 . 1 . . . . 288 V C . 15680 1 937 . 1 1 226 226 VAL CA C 13 58.540 0.08 . 1 . . . . 288 V CA . 15680 1 938 . 1 1 226 226 VAL CB C 13 27.725 0.08 . 1 . . . . 288 V CB . 15680 1 939 . 1 1 226 226 VAL N N 15 120.086 0.05 . 1 . . . . 288 V N . 15680 1 940 . 1 1 227 227 VAL H H 1 8.269 0.005 . 1 . . . . 289 V H . 15680 1 941 . 1 1 227 227 VAL C C 13 172.919 0.04 . 1 . . . . 289 V C . 15680 1 942 . 1 1 227 227 VAL CA C 13 54.483 0.08 . 1 . . . . 289 V CA . 15680 1 943 . 1 1 227 227 VAL CB C 13 32.153 0.08 . 1 . . . . 289 V CB . 15680 1 944 . 1 1 227 227 VAL N N 15 119.721 0.05 . 1 . . . . 289 V N . 15680 1 945 . 1 1 228 228 HIS H H 1 8.628 0.005 . 1 . . . . 290 H H . 15680 1 946 . 1 1 228 228 HIS C C 13 173.297 0.04 . 1 . . . . 290 H C . 15680 1 947 . 1 1 228 228 HIS CA C 13 54.501 0.08 . 1 . . . . 290 H CA . 15680 1 948 . 1 1 228 228 HIS CB C 13 28.425 0.08 . 1 . . . . 290 H CB . 15680 1 949 . 1 1 228 228 HIS N N 15 122.948 0.05 . 1 . . . . 290 H N . 15680 1 950 . 1 1 229 229 CYS H H 1 7.450 0.005 . 1 . . . . 291 C H . 15680 1 951 . 1 1 229 229 CYS C C 13 173.262 0.04 . 1 . . . . 291 C C . 15680 1 952 . 1 1 229 229 CYS CA C 13 56.845 0.08 . 1 . . . . 291 C CA . 15680 1 953 . 1 1 229 229 CYS CB C 13 25.976 0.08 . 1 . . . . 291 C CB . 15680 1 954 . 1 1 229 229 CYS N N 15 115.721 0.05 . 1 . . . . 291 C N . 15680 1 955 . 1 1 230 230 SER H H 1 7.468 0.005 . 1 . . . . 292 S H . 15680 1 956 . 1 1 230 230 SER CB C 13 69.178 0.08 . 1 . . . . 292 S CB . 15680 1 957 . 1 1 230 230 SER N N 15 119.561 0.05 . 1 . . . . 292 S N . 15680 1 958 . 1 1 231 231 ALA HB1 H 1 0.851 0.005 . 1 . . . . 293 A MB . 15680 1 959 . 1 1 231 231 ALA HB2 H 1 0.851 0.005 . 1 . . . . 293 A MB . 15680 1 960 . 1 1 231 231 ALA HB3 H 1 0.851 0.005 . 1 . . . . 293 A MB . 15680 1 961 . 1 1 231 231 ALA C C 13 175.691 0.04 . 1 . . . . 293 A C . 15680 1 962 . 1 1 231 231 ALA CA C 13 51.364 0.08 . 1 . . . . 293 A CA . 15680 1 963 . 1 1 232 232 GLY H H 1 8.715 0.005 . 1 . . . . 294 G H . 15680 1 964 . 1 1 232 232 GLY C C 13 172.792 0.04 . 1 . . . . 294 G C . 15680 1 965 . 1 1 232 232 GLY CA C 13 47.087 0.08 . 1 . . . . 294 G CA . 15680 1 966 . 1 1 232 232 GLY N N 15 111.188 0.05 . 1 . . . . 294 G N . 15680 1 967 . 1 1 233 233 ILE H H 1 7.108 0.005 . 1 . . . . 295 I H . 15680 1 968 . 1 1 233 233 ILE CA C 13 61.234 0.08 . 1 . . . . 295 I CA . 15680 1 969 . 1 1 233 233 ILE CB C 13 40.650 0.08 . 1 . . . . 295 I CB . 15680 1 970 . 1 1 233 233 ILE N N 15 106.138 0.05 . 1 . . . . 295 I N . 15680 1 971 . 1 1 236 236 THR C C 13 174.552 0.04 . 1 . . . . 298 T C . 15680 1 972 . 1 1 236 236 THR CA C 13 67.442 0.08 . 1 . . . . 298 T CA . 15680 1 973 . 1 1 237 237 GLY H H 1 6.236 0.005 . 1 . . . . 299 G H . 15680 1 974 . 1 1 237 237 GLY C C 13 173.002 0.04 . 1 . . . . 299 G C . 15680 1 975 . 1 1 237 237 GLY CA C 13 47.928 0.08 . 1 . . . . 299 G CA . 15680 1 976 . 1 1 237 237 GLY N N 15 105.608 0.05 . 1 . . . . 299 G N . 15680 1 977 . 1 1 238 238 CYS H H 1 8.332 0.005 . 1 . . . . 300 C H . 15680 1 978 . 1 1 238 238 CYS C C 13 176.020 0.04 . 1 . . . . 300 C C . 15680 1 979 . 1 1 238 238 CYS CA C 13 63.680 0.08 . 1 . . . . 300 C CA . 15680 1 980 . 1 1 238 238 CYS CB C 13 27.314 0.08 . 1 . . . . 300 C CB . 15680 1 981 . 1 1 238 238 CYS N N 15 119.777 0.05 . 1 . . . . 300 C N . 15680 1 982 . 1 1 239 239 PHE H H 1 8.801 0.005 . 1 . . . . 301 F H . 15680 1 983 . 1 1 239 239 PHE C C 13 173.295 0.04 . 1 . . . . 301 F C . 15680 1 984 . 1 1 239 239 PHE CA C 13 62.328 0.08 . 1 . . . . 301 F CA . 15680 1 985 . 1 1 239 239 PHE CB C 13 39.417 0.08 . 1 . . . . 301 F CB . 15680 1 986 . 1 1 239 239 PHE N N 15 121.649 0.05 . 1 . . . . 301 F N . 15680 1 987 . 1 1 240 240 ILE H H 1 7.733 0.005 . 1 . . . . 302 I H . 15680 1 988 . 1 1 240 240 ILE C C 13 175.063 0.04 . 1 . . . . 302 I C . 15680 1 989 . 1 1 240 240 ILE CA C 13 65.830 0.08 . 1 . . . . 302 I CA . 15680 1 990 . 1 1 240 240 ILE CB C 13 36.980 0.08 . 1 . . . . 302 I CB . 15680 1 991 . 1 1 240 240 ILE N N 15 118.802 0.05 . 1 . . . . 302 I N . 15680 1 992 . 1 1 241 241 ALA H H 1 8.443 0.005 . 1 . . . . 303 A H . 15680 1 993 . 1 1 241 241 ALA C C 13 177.650 0.04 . 1 . . . . 303 A C . 15680 1 994 . 1 1 241 241 ALA CA C 13 54.630 0.08 . 1 . . . . 303 A CA . 15680 1 995 . 1 1 241 241 ALA CB C 13 18.874 0.08 . 1 . . . . 303 A CB . 15680 1 996 . 1 1 241 241 ALA N N 15 117.642 0.05 . 1 . . . . 303 A N . 15680 1 997 . 1 1 242 242 THR H H 1 7.463 0.005 . 1 . . . . 304 T H . 15680 1 998 . 1 1 242 242 THR C C 13 173.560 0.04 . 1 . . . . 304 T C . 15680 1 999 . 1 1 242 242 THR CA C 13 67.160 0.08 . 1 . . . . 304 T CA . 15680 1 1000 . 1 1 242 242 THR CB C 13 68.384 0.08 . 1 . . . . 304 T CB . 15680 1 1001 . 1 1 242 242 THR N N 15 113.937 0.05 . 1 . . . . 304 T N . 15680 1 1002 . 1 1 243 243 ARG H H 1 7.567 0.005 . 1 . . . . 305 R H . 15680 1 1003 . 1 1 243 243 ARG C C 13 176.548 0.04 . 1 . . . . 305 R C . 15680 1 1004 . 1 1 243 243 ARG CA C 13 61.239 0.08 . 1 . . . . 305 R CA . 15680 1 1005 . 1 1 243 243 ARG CB C 13 27.703 0.08 . 1 . . . . 305 R CB . 15680 1 1006 . 1 1 243 243 ARG N N 15 123.170 0.05 . 1 . . . . 305 R N . 15680 1 1007 . 1 1 244 244 ILE H H 1 8.178 0.005 . 1 . . . . 306 I H . 15680 1 1008 . 1 1 244 244 ILE C C 13 177.152 0.04 . 1 . . . . 306 I C . 15680 1 1009 . 1 1 244 244 ILE CA C 13 64.904 0.08 . 1 . . . . 306 I CA . 15680 1 1010 . 1 1 244 244 ILE CB C 13 37.851 0.08 . 1 . . . . 306 I CB . 15680 1 1011 . 1 1 244 244 ILE N N 15 118.061 0.05 . 1 . . . . 306 I N . 15680 1 1012 . 1 1 245 245 GLY H H 1 8.598 0.005 . 1 . . . . 307 G H . 15680 1 1013 . 1 1 245 245 GLY C C 13 174.025 0.04 . 1 . . . . 307 G C . 15680 1 1014 . 1 1 245 245 GLY CA C 13 47.630 0.08 . 1 . . . . 307 G CA . 15680 1 1015 . 1 1 245 245 GLY N N 15 108.957 0.05 . 1 . . . . 307 G N . 15680 1 1016 . 1 1 246 246 CYS H H 1 8.438 0.005 . 1 . . . . 308 C H . 15680 1 1017 . 1 1 246 246 CYS C C 13 175.272 0.04 . 1 . . . . 308 C C . 15680 1 1018 . 1 1 246 246 CYS CA C 13 63.482 0.08 . 1 . . . . 308 C CA . 15680 1 1019 . 1 1 246 246 CYS CB C 13 26.215 0.08 . 1 . . . . 308 C CB . 15680 1 1020 . 1 1 246 246 CYS N N 15 122.310 0.05 . 1 . . . . 308 C N . 15680 1 1021 . 1 1 247 247 GLN H H 1 7.632 0.005 . 1 . . . . 309 Q H . 15680 1 1022 . 1 1 247 247 GLN C C 13 178.128 0.04 . 1 . . . . 309 Q C . 15680 1 1023 . 1 1 247 247 GLN CA C 13 58.873 0.08 . 1 . . . . 309 Q CA . 15680 1 1024 . 1 1 247 247 GLN CB C 13 28.043 0.08 . 1 . . . . 309 Q CB . 15680 1 1025 . 1 1 247 247 GLN N N 15 119.584 0.05 . 1 . . . . 309 Q N . 15680 1 1026 . 1 1 248 248 GLN H H 1 8.374 0.005 . 1 . . . . 310 Q H . 15680 1 1027 . 1 1 248 248 GLN C C 13 176.707 0.04 . 1 . . . . 310 Q C . 15680 1 1028 . 1 1 248 248 GLN CA C 13 60.368 0.08 . 1 . . . . 310 Q CA . 15680 1 1029 . 1 1 248 248 GLN CB C 13 27.223 0.08 . 1 . . . . 310 Q CB . 15680 1 1030 . 1 1 248 248 GLN N N 15 119.927 0.05 . 1 . . . . 310 Q N . 15680 1 1031 . 1 1 249 249 LEU H H 1 8.352 0.005 . 1 . . . . 311 L H . 15680 1 1032 . 1 1 249 249 LEU C C 13 178.412 0.04 . 1 . . . . 311 L C . 15680 1 1033 . 1 1 249 249 LEU CA C 13 58.293 0.08 . 1 . . . . 311 L CA . 15680 1 1034 . 1 1 249 249 LEU CB C 13 41.752 0.08 . 1 . . . . 311 L CB . 15680 1 1035 . 1 1 249 249 LEU N N 15 119.715 0.05 . 1 . . . . 311 L N . 15680 1 1036 . 1 1 250 250 LYS H H 1 8.447 0.005 . 1 . . . . 312 K H . 15680 1 1037 . 1 1 250 250 LYS C C 13 175.860 0.04 . 1 . . . . 312 K C . 15680 1 1038 . 1 1 250 250 LYS CA C 13 59.242 0.08 . 1 . . . . 312 K CA . 15680 1 1039 . 1 1 250 250 LYS CB C 13 31.758 0.08 . 1 . . . . 312 K CB . 15680 1 1040 . 1 1 250 250 LYS N N 15 119.549 0.05 . 1 . . . . 312 K N . 15680 1 1041 . 1 1 251 251 ALA H H 1 7.712 0.005 . 1 . . . . 313 A H . 15680 1 1042 . 1 1 251 251 ALA C C 13 178.584 0.04 . 1 . . . . 313 A C . 15680 1 1043 . 1 1 251 251 ALA CA C 13 54.279 0.08 . 1 . . . . 313 A CA . 15680 1 1044 . 1 1 251 251 ALA CB C 13 19.615 0.08 . 1 . . . . 313 A CB . 15680 1 1045 . 1 1 251 251 ALA N N 15 118.056 0.05 . 1 . . . . 313 A N . 15680 1 1046 . 1 1 252 252 ARG H H 1 8.628 0.005 . 1 . . . . 314 R H . 15680 1 1047 . 1 1 252 252 ARG C C 13 175.943 0.04 . 1 . . . . 314 R C . 15680 1 1048 . 1 1 252 252 ARG CA C 13 55.620 0.08 . 1 . . . . 314 R CA . 15680 1 1049 . 1 1 252 252 ARG CB C 13 32.184 0.08 . 1 . . . . 314 R CB . 15680 1 1050 . 1 1 252 252 ARG N N 15 112.783 0.05 . 1 . . . . 314 R N . 15680 1 1051 . 1 1 253 253 GLY H H 1 8.106 0.005 . 1 . . . . 315 G H . 15680 1 1052 . 1 1 253 253 GLY C C 13 171.194 0.04 . 1 . . . . 315 G C . 15680 1 1053 . 1 1 253 253 GLY CA C 13 46.124 0.08 . 1 . . . . 315 G CA . 15680 1 1054 . 1 1 253 253 GLY N N 15 108.639 0.05 . 1 . . . . 315 G N . 15680 1 1055 . 1 1 254 254 GLU H H 1 7.395 0.005 . 1 . . . . 316 E H . 15680 1 1056 . 1 1 254 254 GLU C C 13 170.486 0.04 . 1 . . . . 316 E C . 15680 1 1057 . 1 1 254 254 GLU CA C 13 53.896 0.08 . 1 . . . . 316 E CA . 15680 1 1058 . 1 1 254 254 GLU CB C 13 32.714 0.08 . 1 . . . . 316 E CB . 15680 1 1059 . 1 1 254 254 GLU N N 15 117.327 0.05 . 1 . . . . 316 E N . 15680 1 1060 . 1 1 255 255 VAL H H 1 8.994 0.005 . 1 . . . . 317 V H . 15680 1 1061 . 1 1 255 255 VAL C C 13 169.841 0.04 . 1 . . . . 317 V C . 15680 1 1062 . 1 1 255 255 VAL CA C 13 58.049 0.08 . 1 . . . . 317 V CA . 15680 1 1063 . 1 1 255 255 VAL CB C 13 34.299 0.08 . 1 . . . . 317 V CB . 15680 1 1064 . 1 1 255 255 VAL N N 15 118.799 0.05 . 1 . . . . 317 V N . 15680 1 1065 . 1 1 256 256 ASP H H 1 8.231 0.005 . 1 . . . . 318 D H . 15680 1 1066 . 1 1 256 256 ASP C C 13 174.723 0.04 . 1 . . . . 318 D C . 15680 1 1067 . 1 1 256 256 ASP CA C 13 51.040 0.08 . 1 . . . . 318 D CA . 15680 1 1068 . 1 1 256 256 ASP CB C 13 39.906 0.08 . 1 . . . . 318 D CB . 15680 1 1069 . 1 1 256 256 ASP N N 15 128.418 0.05 . 1 . . . . 318 D N . 15680 1 1070 . 1 1 257 257 ILE H H 1 7.829 0.005 . 1 . . . . 319 I H . 15680 1 1071 . 1 1 257 257 ILE C C 13 175.742 0.04 . 1 . . . . 319 I C . 15680 1 1072 . 1 1 257 257 ILE CA C 13 66.024 0.08 . 1 . . . . 319 I CA . 15680 1 1073 . 1 1 257 257 ILE CB C 13 35.906 0.08 . 1 . . . . 319 I CB . 15680 1 1074 . 1 1 257 257 ILE N N 15 126.151 0.05 . 1 . . . . 319 I N . 15680 1 1075 . 1 1 258 258 LEU H H 1 9.268 0.005 . 1 . . . . 320 L H . 15680 1 1076 . 1 1 258 258 LEU C C 13 177.606 0.04 . 1 . . . . 320 L C . 15680 1 1077 . 1 1 258 258 LEU CA C 13 58.379 0.08 . 1 . . . . 320 L CA . 15680 1 1078 . 1 1 258 258 LEU CB C 13 40.468 0.08 . 1 . . . . 320 L CB . 15680 1 1079 . 1 1 258 258 LEU N N 15 124.080 0.05 . 1 . . . . 320 L N . 15680 1 1080 . 1 1 259 259 GLY H H 1 8.402 0.005 . 1 . . . . 321 G H . 15680 1 1081 . 1 1 259 259 GLY C C 13 174.939 0.04 . 1 . . . . 321 G C . 15680 1 1082 . 1 1 259 259 GLY CA C 13 46.972 0.08 . 1 . . . . 321 G CA . 15680 1 1083 . 1 1 259 259 GLY N N 15 106.968 0.05 . 1 . . . . 321 G N . 15680 1 1084 . 1 1 260 260 ILE H H 1 8.328 0.005 . 1 . . . . 322 I H . 15680 1 1085 . 1 1 260 260 ILE C C 13 176.715 0.04 . 1 . . . . 322 I C . 15680 1 1086 . 1 1 260 260 ILE CA C 13 65.500 0.08 . 1 . . . . 322 I CA . 15680 1 1087 . 1 1 260 260 ILE CB C 13 37.580 0.08 . 1 . . . . 322 I CB . 15680 1 1088 . 1 1 260 260 ILE N N 15 123.855 0.05 . 1 . . . . 322 I N . 15680 1 1089 . 1 1 261 261 VAL H H 1 8.550 0.005 . 1 . . . . 323 V H . 15680 1 1090 . 1 1 261 261 VAL C C 13 176.101 0.04 . 1 . . . . 323 V C . 15680 1 1091 . 1 1 261 261 VAL CA C 13 67.685 0.08 . 1 . . . . 323 V CA . 15680 1 1092 . 1 1 261 261 VAL CB C 13 30.508 0.08 . 1 . . . . 323 V CB . 15680 1 1093 . 1 1 261 261 VAL N N 15 120.258 0.05 . 1 . . . . 323 V N . 15680 1 1094 . 1 1 262 262 CYS H H 1 8.432 0.005 . 1 . . . . 324 C H . 15680 1 1095 . 1 1 262 262 CYS C C 13 174.872 0.04 . 1 . . . . 324 C C . 15680 1 1096 . 1 1 262 262 CYS CA C 13 64.717 0.08 . 1 . . . . 324 C CA . 15680 1 1097 . 1 1 262 262 CYS CB C 13 26.752 0.08 . 1 . . . . 324 C CB . 15680 1 1098 . 1 1 262 262 CYS N N 15 118.160 0.05 . 1 . . . . 324 C N . 15680 1 1099 . 1 1 263 263 GLN H H 1 8.013 0.005 . 1 . . . . 325 Q H . 15680 1 1100 . 1 1 263 263 GLN C C 13 177.450 0.04 . 1 . . . . 325 Q C . 15680 1 1101 . 1 1 263 263 GLN CA C 13 58.502 0.08 . 1 . . . . 325 Q CA . 15680 1 1102 . 1 1 263 263 GLN CB C 13 27.182 0.08 . 1 . . . . 325 Q CB . 15680 1 1103 . 1 1 263 263 GLN N N 15 117.340 0.05 . 1 . . . . 325 Q N . 15680 1 1104 . 1 1 264 264 LEU H H 1 8.287 0.005 . 1 . . . . 326 L H . 15680 1 1105 . 1 1 264 264 LEU C C 13 177.892 0.04 . 1 . . . . 326 L C . 15680 1 1106 . 1 1 264 264 LEU CA C 13 58.056 0.08 . 1 . . . . 326 L CA . 15680 1 1107 . 1 1 264 264 LEU CB C 13 40.531 0.08 . 1 . . . . 326 L CB . 15680 1 1108 . 1 1 264 264 LEU N N 15 119.074 0.05 . 1 . . . . 326 L N . 15680 1 1109 . 1 1 265 265 ARG H H 1 7.922 0.005 . 1 . . . . 327 R H . 15680 1 1110 . 1 1 265 265 ARG C C 13 177.377 0.04 . 1 . . . . 327 R C . 15680 1 1111 . 1 1 265 265 ARG CA C 13 57.875 0.08 . 1 . . . . 327 R CA . 15680 1 1112 . 1 1 265 265 ARG CB C 13 29.654 0.08 . 1 . . . . 327 R CB . 15680 1 1113 . 1 1 265 265 ARG N N 15 116.440 0.05 . 1 . . . . 327 R N . 15680 1 1114 . 1 1 266 266 LEU H H 1 7.332 0.005 . 1 . . . . 328 L H . 15680 1 1115 . 1 1 266 266 LEU C C 13 176.269 0.04 . 1 . . . . 328 L C . 15680 1 1116 . 1 1 266 266 LEU CA C 13 56.970 0.08 . 1 . . . . 328 L CA . 15680 1 1117 . 1 1 266 266 LEU CB C 13 40.877 0.08 . 1 . . . . 328 L CB . 15680 1 1118 . 1 1 266 266 LEU N N 15 118.302 0.05 . 1 . . . . 328 L N . 15680 1 1119 . 1 1 267 267 ASP H H 1 7.113 0.005 . 1 . . . . 329 D H . 15680 1 1120 . 1 1 267 267 ASP C C 13 174.571 0.04 . 1 . . . . 329 D C . 15680 1 1121 . 1 1 267 267 ASP CA C 13 56.892 0.08 . 1 . . . . 329 D CA . 15680 1 1122 . 1 1 267 267 ASP CB C 13 42.395 0.08 . 1 . . . . 329 D CB . 15680 1 1123 . 1 1 267 267 ASP N N 15 120.164 0.05 . 1 . . . . 329 D N . 15680 1 1124 . 1 1 268 268 ARG H H 1 8.524 0.005 . 1 . . . . 330 R H . 15680 1 1125 . 1 1 268 268 ARG C C 13 171.634 0.04 . 1 . . . . 330 R C . 15680 1 1126 . 1 1 268 268 ARG CA C 13 56.595 0.08 . 1 . . . . 330 R CA . 15680 1 1127 . 1 1 268 268 ARG CB C 13 31.436 0.08 . 1 . . . . 330 R CB . 15680 1 1128 . 1 1 268 268 ARG N N 15 122.028 0.05 . 1 . . . . 330 R N . 15680 1 1129 . 1 1 269 269 GLY H H 1 9.008 0.005 . 1 . . . . 331 G H . 15680 1 1130 . 1 1 269 269 GLY C C 13 172.822 0.04 . 1 . . . . 331 G C . 15680 1 1131 . 1 1 269 269 GLY CA C 13 46.558 0.08 . 1 . . . . 331 G CA . 15680 1 1132 . 1 1 269 269 GLY N N 15 113.589 0.05 . 1 . . . . 331 G N . 15680 1 1133 . 1 1 270 270 GLY H H 1 7.931 0.005 . 1 . . . . 332 G H . 15680 1 1134 . 1 1 270 270 GLY C C 13 172.355 0.04 . 1 . . . . 332 G C . 15680 1 1135 . 1 1 270 270 GLY CA C 13 44.885 0.08 . 1 . . . . 332 G CA . 15680 1 1136 . 1 1 270 270 GLY N N 15 103.641 0.05 . 1 . . . . 332 G N . 15680 1 1137 . 1 1 271 271 MET H H 1 6.495 0.005 . 1 . . . . 333 M H . 15680 1 1138 . 1 1 271 271 MET C C 13 176.707 0.04 . 1 . . . . 333 M C . 15680 1 1139 . 1 1 271 271 MET CA C 13 57.151 0.08 . 1 . . . . 333 M CA . 15680 1 1140 . 1 1 271 271 MET CB C 13 34.005 0.08 . 1 . . . . 333 M CB . 15680 1 1141 . 1 1 271 271 MET N N 15 115.401 0.05 . 1 . . . . 333 M N . 15680 1 1142 . 1 1 272 272 ILE H H 1 8.556 0.005 . 1 . . . . 334 I H . 15680 1 1143 . 1 1 272 272 ILE C C 13 171.428 0.04 . 1 . . . . 334 I C . 15680 1 1144 . 1 1 272 272 ILE CA C 13 64.471 0.08 . 1 . . . . 334 I CA . 15680 1 1145 . 1 1 272 272 ILE CB C 13 31.733 0.08 . 1 . . . . 334 I CB . 15680 1 1146 . 1 1 272 272 ILE N N 15 115.525 0.05 . 1 . . . . 334 I N . 15680 1 1147 . 1 1 273 273 GLN H H 1 8.163 0.005 . 1 . . . . 335 Q H . 15680 1 1148 . 1 1 273 273 GLN C C 13 175.955 0.04 . 1 . . . . 335 Q C . 15680 1 1149 . 1 1 273 273 GLN CA C 13 58.242 0.08 . 1 . . . . 335 Q CA . 15680 1 1150 . 1 1 273 273 GLN CB C 13 31.572 0.08 . 1 . . . . 335 Q CB . 15680 1 1151 . 1 1 273 273 GLN N N 15 122.453 0.05 . 1 . . . . 335 Q N . 15680 1 1152 . 1 1 274 274 THR H H 1 7.114 0.005 . 1 . . . . 336 T H . 15680 1 1153 . 1 1 274 274 THR C C 13 172.206 0.04 . 1 . . . . 336 T C . 15680 1 1154 . 1 1 274 274 THR CA C 13 58.009 0.08 . 1 . . . . 336 T CA . 15680 1 1155 . 1 1 274 274 THR CB C 13 72.297 0.08 . 1 . . . . 336 T CB . 15680 1 1156 . 1 1 274 274 THR N N 15 105.407 0.05 . 1 . . . . 336 T N . 15680 1 1157 . 1 1 275 275 ALA H H 1 8.846 0.005 . 1 . . . . 337 A H . 15680 1 1158 . 1 1 275 275 ALA C C 13 178.129 0.04 . 1 . . . . 337 A C . 15680 1 1159 . 1 1 275 275 ALA CA C 13 53.661 0.08 . 1 . . . . 337 A CA . 15680 1 1160 . 1 1 275 275 ALA CB C 13 16.632 0.08 . 1 . . . . 337 A CB . 15680 1 1161 . 1 1 275 275 ALA N N 15 124.873 0.05 . 1 . . . . 337 A N . 15680 1 1162 . 1 1 276 276 GLU H H 1 8.312 0.005 . 1 . . . . 338 E H . 15680 1 1163 . 1 1 276 276 GLU C C 13 178.483 0.04 . 1 . . . . 338 E C . 15680 1 1164 . 1 1 276 276 GLU CA C 13 59.621 0.08 . 1 . . . . 338 E CA . 15680 1 1165 . 1 1 276 276 GLU CB C 13 28.305 0.08 . 1 . . . . 338 E CB . 15680 1 1166 . 1 1 276 276 GLU N N 15 118.987 0.05 . 1 . . . . 338 E N . 15680 1 1167 . 1 1 277 277 GLN H H 1 7.764 0.005 . 1 . . . . 339 Q H . 15680 1 1168 . 1 1 277 277 GLN C C 13 176.107 0.04 . 1 . . . . 339 Q C . 15680 1 1169 . 1 1 277 277 GLN CA C 13 58.670 0.08 . 1 . . . . 339 Q CA . 15680 1 1170 . 1 1 277 277 GLN CB C 13 27.949 0.08 . 1 . . . . 339 Q CB . 15680 1 1171 . 1 1 277 277 GLN N N 15 121.789 0.05 . 1 . . . . 339 Q N . 15680 1 1172 . 1 1 278 278 TYR H H 1 7.555 0.005 . 1 . . . . 340 Y H . 15680 1 1173 . 1 1 278 278 TYR C C 13 178.020 0.04 . 1 . . . . 340 Y C . 15680 1 1174 . 1 1 278 278 TYR CA C 13 61.713 0.08 . 1 . . . . 340 Y CA . 15680 1 1175 . 1 1 278 278 TYR CB C 13 38.830 0.08 . 1 . . . . 340 Y CB . 15680 1 1176 . 1 1 278 278 TYR N N 15 121.759 0.05 . 1 . . . . 340 Y N . 15680 1 1177 . 1 1 279 279 GLN H H 1 8.722 0.005 . 1 . . . . 341 Q H . 15680 1 1178 . 1 1 279 279 GLN C C 13 176.706 0.04 . 1 . . . . 341 Q C . 15680 1 1179 . 1 1 279 279 GLN CA C 13 58.874 0.08 . 1 . . . . 341 Q CA . 15680 1 1180 . 1 1 279 279 GLN CB C 13 27.205 0.08 . 1 . . . . 341 Q CB . 15680 1 1181 . 1 1 279 279 GLN N N 15 120.678 0.05 . 1 . . . . 341 Q N . 15680 1 1182 . 1 1 280 280 PHE H H 1 8.567 0.005 . 1 . . . . 342 F H . 15680 1 1183 . 1 1 280 280 PHE C C 13 177.027 0.04 . 1 . . . . 342 F C . 15680 1 1184 . 1 1 280 280 PHE CA C 13 59.890 0.08 . 1 . . . . 342 F CA . 15680 1 1185 . 1 1 280 280 PHE CB C 13 38.308 0.08 . 1 . . . . 342 F CB . 15680 1 1186 . 1 1 280 280 PHE N N 15 123.831 0.05 . 1 . . . . 342 F N . 15680 1 1187 . 1 1 281 281 LEU H H 1 8.235 0.005 . 1 . . . . 343 L H . 15680 1 1188 . 1 1 281 281 LEU C C 13 176.815 0.04 . 1 . . . . 343 L C . 15680 1 1189 . 1 1 281 281 LEU CA C 13 57.507 0.08 . 1 . . . . 343 L CA . 15680 1 1190 . 1 1 281 281 LEU CB C 13 41.380 0.08 . 1 . . . . 343 L CB . 15680 1 1191 . 1 1 281 281 LEU N N 15 121.975 0.05 . 1 . . . . 343 L N . 15680 1 1192 . 1 1 282 282 HIS H H 1 7.025 0.005 . 1 . . . . 344 H H . 15680 1 1193 . 1 1 282 282 HIS C C 13 175.901 0.04 . 1 . . . . 344 H C . 15680 1 1194 . 1 1 282 282 HIS CA C 13 61.499 0.08 . 1 . . . . 344 H CA . 15680 1 1195 . 1 1 282 282 HIS CB C 13 27.030 0.08 . 1 . . . . 344 H CB . 15680 1 1196 . 1 1 282 282 HIS N N 15 116.019 0.05 . 1 . . . . 344 H N . 15680 1 1197 . 1 1 283 283 HIS H H 1 7.897 0.005 . 1 . . . . 345 H H . 15680 1 1198 . 1 1 283 283 HIS C C 13 176.712 0.04 . 1 . . . . 345 H C . 15680 1 1199 . 1 1 283 283 HIS CA C 13 58.582 0.08 . 1 . . . . 345 H CA . 15680 1 1200 . 1 1 283 283 HIS CB C 13 30.257 0.08 . 1 . . . . 345 H CB . 15680 1 1201 . 1 1 283 283 HIS N N 15 119.440 0.05 . 1 . . . . 345 H N . 15680 1 1202 . 1 1 284 284 THR H H 1 8.369 0.005 . 1 . . . . 346 T H . 15680 1 1203 . 1 1 284 284 THR C C 13 174.356 0.04 . 1 . . . . 346 T C . 15680 1 1204 . 1 1 284 284 THR CA C 13 66.613 0.08 . 1 . . . . 346 T CA . 15680 1 1205 . 1 1 284 284 THR CB C 13 67.534 0.08 . 1 . . . . 346 T CB . 15680 1 1206 . 1 1 284 284 THR N N 15 117.588 0.05 . 1 . . . . 346 T N . 15680 1 1207 . 1 1 285 285 LEU H H 1 7.661 0.005 . 1 . . . . 347 L H . 15680 1 1208 . 1 1 285 285 LEU C C 13 176.786 0.04 . 1 . . . . 347 L C . 15680 1 1209 . 1 1 285 285 LEU CA C 13 56.819 0.08 . 1 . . . . 347 L CA . 15680 1 1210 . 1 1 285 285 LEU CB C 13 39.334 0.08 . 1 . . . . 347 L CB . 15680 1 1211 . 1 1 285 285 LEU N N 15 120.633 0.05 . 1 . . . . 347 L N . 15680 1 1212 . 1 1 286 286 ALA H H 1 8.056 0.005 . 1 . . . . 348 A H . 15680 1 1213 . 1 1 286 286 ALA C C 13 178.451 0.04 . 1 . . . . 348 A C . 15680 1 1214 . 1 1 286 286 ALA CA C 13 55.207 0.08 . 1 . . . . 348 A CA . 15680 1 1215 . 1 1 286 286 ALA CB C 13 17.643 0.08 . 1 . . . . 348 A CB . 15680 1 1216 . 1 1 286 286 ALA N N 15 122.569 0.05 . 1 . . . . 348 A N . 15680 1 1217 . 1 1 287 287 LEU H H 1 7.457 0.005 . 1 . . . . 349 L H . 15680 1 1218 . 1 1 287 287 LEU C C 13 178.318 0.04 . 1 . . . . 349 L C . 15680 1 1219 . 1 1 287 287 LEU CA C 13 57.411 0.08 . 1 . . . . 349 L CA . 15680 1 1220 . 1 1 287 287 LEU CB C 13 39.884 0.08 . 1 . . . . 349 L CB . 15680 1 1221 . 1 1 287 287 LEU N N 15 121.083 0.05 . 1 . . . . 349 L N . 15680 1 1222 . 1 1 288 288 TYR H H 1 7.848 0.005 . 1 . . . . 350 Y H . 15680 1 1223 . 1 1 288 288 TYR C C 13 176.382 0.04 . 1 . . . . 350 Y C . 15680 1 1224 . 1 1 288 288 TYR CA C 13 61.198 0.08 . 1 . . . . 350 Y CA . 15680 1 1225 . 1 1 288 288 TYR CB C 13 37.578 0.08 . 1 . . . . 350 Y CB . 15680 1 1226 . 1 1 288 288 TYR N N 15 120.619 0.05 . 1 . . . . 350 Y N . 15680 1 1227 . 1 1 289 289 ALA H H 1 8.477 0.005 . 1 . . . . 351 A H . 15680 1 1228 . 1 1 289 289 ALA C C 13 177.488 0.04 . 1 . . . . 351 A C . 15680 1 1229 . 1 1 289 289 ALA CA C 13 54.395 0.08 . 1 . . . . 351 A CA . 15680 1 1230 . 1 1 289 289 ALA CB C 13 17.511 0.08 . 1 . . . . 351 A CB . 15680 1 1231 . 1 1 289 289 ALA N N 15 119.777 0.05 . 1 . . . . 351 A N . 15680 1 1232 . 1 1 290 290 GLY H H 1 7.369 0.005 . 1 . . . . 352 G H . 15680 1 1233 . 1 1 290 290 GLY C C 13 173.141 0.04 . 1 . . . . 352 G C . 15680 1 1234 . 1 1 290 290 GLY CA C 13 45.555 0.08 . 1 . . . . 352 G CA . 15680 1 1235 . 1 1 290 290 GLY N N 15 101.900 0.05 . 1 . . . . 352 G N . 15680 1 1236 . 1 1 291 291 GLN H H 1 7.490 0.005 . 1 . . . . 353 Q H . 15680 1 1237 . 1 1 291 291 GLN C C 13 174.802 0.04 . 1 . . . . 353 Q C . 15680 1 1238 . 1 1 291 291 GLN CA C 13 54.647 0.08 . 1 . . . . 353 Q CA . 15680 1 1239 . 1 1 291 291 GLN CB C 13 27.994 0.08 . 1 . . . . 353 Q CB . 15680 1 1240 . 1 1 291 291 GLN N N 15 118.100 0.05 . 1 . . . . 353 Q N . 15680 1 1241 . 1 1 292 292 LEU H H 1 6.821 0.005 . 1 . . . . 354 L H . 15680 1 1242 . 1 1 292 292 LEU CA C 13 52.765 0.08 . 1 . . . . 354 L CA . 15680 1 1243 . 1 1 292 292 LEU CB C 13 39.958 0.08 . 1 . . . . 354 L CB . 15680 1 1244 . 1 1 292 292 LEU N N 15 122.389 0.05 . 1 . . . . 354 L N . 15680 1 1245 . 1 1 293 293 PRO C C 13 175.538 0.04 . 1 . . . . 355 P C . 15680 1 1246 . 1 1 293 293 PRO CA C 13 62.596 0.08 . 1 . . . . 355 P CA . 15680 1 1247 . 1 1 293 293 PRO CB C 13 31.221 0.08 . 1 . . . . 355 P CB . 15680 1 1248 . 1 1 294 294 GLU H H 1 8.538 0.005 . 1 . . . . 356 E H . 15680 1 1249 . 1 1 294 294 GLU C C 13 174.663 0.04 . 1 . . . . 356 E C . 15680 1 1250 . 1 1 294 294 GLU CA C 13 56.452 0.08 . 1 . . . . 356 E CA . 15680 1 1251 . 1 1 294 294 GLU CB C 13 29.679 0.08 . 1 . . . . 356 E CB . 15680 1 1252 . 1 1 294 294 GLU N N 15 122.846 0.05 . 1 . . . . 356 E N . 15680 1 1253 . 1 1 295 295 GLU H H 1 8.359 0.005 . 1 . . . . 357 E H . 15680 1 1254 . 1 1 295 295 GLU CA C 13 53.748 0.08 . 1 . . . . 357 E CA . 15680 1 1255 . 1 1 295 295 GLU CB C 13 29.272 0.08 . 1 . . . . 357 E CB . 15680 1 1256 . 1 1 295 295 GLU N N 15 123.706 0.05 . 1 . . . . 357 E N . 15680 1 stop_ save_