data_18246 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18246 _Entry.Title ; Backbone assignment of porcine pepsin complex with pepstatin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-08 _Entry.Accession_date 2012-02-08 _Entry.Last_release_date 2012-11-28 _Entry.Original_release_date 2012-11-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignment of porcine pepsin in its native state complex with pepstatin' _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 Shenlin Wang . . . 18246 2 Yasumi Horimoto . . . 18246 3 Derek Dee . . . 18246 4 Rickey Yada . . . 18246 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18246 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 928 18246 '15N chemical shifts' 303 18246 '1H chemical shifts' 303 18246 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-11-28 2012-02-08 original author . 18246 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18245 'Pepsin backbone assignment without pepstatin' 18246 BMRB 18247 'Backbone assignment of porcine pepsinogen' 18246 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18246 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Understanding of the nature of energy barrier of PS catalzed refolding by NMR spectroscopy' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shenlin Wang . . . 18246 1 2 Yasumi Horimoto . . . 18246 1 3 Derek Dee . . . 18246 1 4 Rickey Yada . . . 18246 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18246 _Assembly.ID 1 _Assembly.Name 'porcine pepsin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 34535.0 _Assembly.Enzyme_commission_number . _Assembly.Details 'in complex with pepstatin' _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 Pepsin 1 $Pepsin A . yes native no no . . . 18246 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 45 45 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 18246 1 2 disulfide single . 1 . 1 CYS 249 249 SG . 1 . 1 CYS 282 282 SG . . . . . . . . . . 18246 1 3 disulfide single . 1 . 1 CYS 206 206 SG . 1 . 1 CYS 210 210 SG . . . . . . . . . . 18246 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pepsin _Entity.Sf_category entity _Entity.Sf_framecode Pepsin _Entity.Entry_ID 18246 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pepsin _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 ; IGDEPLENYLDTEYFGTIGI GTPAQDFTVIFDTGSSNLWV PSVYCSSLACSDHNQFNPDD SSTFEATSQELSITYGTGSM TGILGYDTVQVGGISDTNQI FGLSETEPGSFLYYAPFDGI LGLAYPSISASGATPVFDNL WDQGLVSQDLFSVYLSSNDD SGSVVLLGGIDSSYYTGSLN WVPVSVEGYWQITLDSITMD GETIACSGGCQAIVDTGTSL LTGPTSAIANIQSDIGASEN SDGEMVISCSSIDSLPDIVF TINGVQYPLSPSAYILQDDD SCTSGFEGMDVPTSSGELWI LGDVFIRQYYTVFDRANNKV GLAPVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 326 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18245 . Pepsin . . . . . 100.00 326 100.00 100.00 0.00e+00 . . . . 18246 1 2 no PDB 1F34 . "Crystal Structure Of Ascaris Pepsin Inhibitor-3 Bound To Porcine Pepsin" . . . . . 100.00 326 99.69 99.69 0.00e+00 . . . . 18246 1 3 no PDB 1PSA . "Structure Of A Pepsin(Slash)renin Inhibitor Complex Reveals A Novel Crystal Packing Induced By Minor Chemical Alterations In Th" . . . . . 100.00 326 100.00 100.00 0.00e+00 . . . . 18246 1 4 no PDB 1YX9 . "Effect Of Dimethyl Sulphoxide On The Crystal Structure Of Porcine Pepsin" . . . . . 100.00 326 100.00 100.00 0.00e+00 . . . . 18246 1 5 no PDB 2PSG . "Refined Structure Of Porcine Pepsinogen At 1.8 Angstroms Resolution" . . . . . 100.00 370 99.39 99.69 0.00e+00 . . . . 18246 1 6 no PDB 3PEP . "Revised 2.3 Angstroms Structure Of Porcine Pepsin. Evidence For A Flexible Subdomain" . . . . . 100.00 326 99.69 100.00 0.00e+00 . . . . 18246 1 7 no PDB 3PSG . "The High Resolution Crystal Structure Of Porcine Pepsinogen" . . . . . 100.00 370 99.69 100.00 0.00e+00 . . . . 18246 1 8 no PDB 4PEP . "The Molecular And Crystal Structures Of Monoclinic Porcine Pepsin Refined At 1.8 Angstroms Resolution" . . . . . 100.00 326 99.39 99.69 0.00e+00 . . . . 18246 1 9 no PDB 5PEP . "X-Ray Analyses Of Aspartic Proteases. Ii. Three-Dimensional Structure Of The Hexagonal Crystal Form Of Porcine Pepsin At 2.3 An" . . . . . 100.00 326 99.69 99.69 0.00e+00 . . . . 18246 1 10 no GB AAA31095 . "pepsinogen precursor [Sus scrofa]" . . . . . 100.31 386 99.69 99.69 0.00e+00 . . . . 18246 1 11 no GB AAA31096 . "pepsinogen A precursor [Sus scrofa]" . . . . . 100.00 385 99.69 99.69 0.00e+00 . . . . 18246 1 12 no GB ABM47074 . "pepsinogen A [Sus scrofa]" . . . . . 100.00 385 99.08 99.08 0.00e+00 . . . . 18246 1 13 no REF NP_999038 . "pepsin A preproprotein [Sus scrofa]" . . . . . 100.00 385 99.08 99.08 0.00e+00 . . . . 18246 1 14 no SP P00791 . "RecName: Full=Pepsin A; Flags: Precursor" . . . . . 100.00 385 100.00 100.00 0.00e+00 . . . . 18246 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 1 ILE . 18246 1 2 2 GLY . 18246 1 3 3 ASP . 18246 1 4 4 GLU . 18246 1 5 5 PRO . 18246 1 6 6 LEU . 18246 1 7 7 GLU . 18246 1 8 8 ASN . 18246 1 9 9 TYR . 18246 1 10 10 LEU . 18246 1 11 11 ASP . 18246 1 12 12 THR . 18246 1 13 13 GLU . 18246 1 14 14 TYR . 18246 1 15 15 PHE . 18246 1 16 16 GLY . 18246 1 17 17 THR . 18246 1 18 18 ILE . 18246 1 19 19 GLY . 18246 1 20 20 ILE . 18246 1 21 21 GLY . 18246 1 22 22 THR . 18246 1 23 23 PRO . 18246 1 24 24 ALA . 18246 1 25 25 GLN . 18246 1 26 26 ASP . 18246 1 27 27 PHE . 18246 1 28 28 THR . 18246 1 29 29 VAL . 18246 1 30 30 ILE . 18246 1 31 31 PHE . 18246 1 32 32 ASP . 18246 1 33 33 THR . 18246 1 34 34 GLY . 18246 1 35 35 SER . 18246 1 36 36 SER . 18246 1 37 37 ASN . 18246 1 38 38 LEU . 18246 1 39 39 TRP . 18246 1 40 40 VAL . 18246 1 41 41 PRO . 18246 1 42 42 SER . 18246 1 43 43 VAL . 18246 1 44 44 TYR . 18246 1 45 45 CYS . 18246 1 46 46 SER . 18246 1 47 47 SER . 18246 1 48 48 LEU . 18246 1 49 49 ALA . 18246 1 50 50 CYS . 18246 1 51 51 SER . 18246 1 52 52 ASP . 18246 1 53 53 HIS . 18246 1 54 54 ASN . 18246 1 55 55 GLN . 18246 1 56 56 PHE . 18246 1 57 57 ASN . 18246 1 58 58 PRO . 18246 1 59 59 ASP . 18246 1 60 60 ASP . 18246 1 61 61 SER . 18246 1 62 62 SER . 18246 1 63 63 THR . 18246 1 64 64 PHE . 18246 1 65 65 GLU . 18246 1 66 66 ALA . 18246 1 67 67 THR . 18246 1 68 68 SER . 18246 1 69 69 GLN . 18246 1 70 70 GLU . 18246 1 71 71 LEU . 18246 1 72 72 SER . 18246 1 73 73 ILE . 18246 1 74 74 THR . 18246 1 75 75 TYR . 18246 1 76 76 GLY . 18246 1 77 77 THR . 18246 1 78 78 GLY . 18246 1 79 79 SER . 18246 1 80 80 MET . 18246 1 81 81 THR . 18246 1 82 82 GLY . 18246 1 83 83 ILE . 18246 1 84 84 LEU . 18246 1 85 85 GLY . 18246 1 86 86 TYR . 18246 1 87 87 ASP . 18246 1 88 88 THR . 18246 1 89 89 VAL . 18246 1 90 90 GLN . 18246 1 91 91 VAL . 18246 1 92 92 GLY . 18246 1 93 93 GLY . 18246 1 94 94 ILE . 18246 1 95 95 SER . 18246 1 96 96 ASP . 18246 1 97 97 THR . 18246 1 98 98 ASN . 18246 1 99 99 GLN . 18246 1 100 100 ILE . 18246 1 101 101 PHE . 18246 1 102 102 GLY . 18246 1 103 103 LEU . 18246 1 104 104 SER . 18246 1 105 105 GLU . 18246 1 106 106 THR . 18246 1 107 107 GLU . 18246 1 108 108 PRO . 18246 1 109 109 GLY . 18246 1 110 110 SER . 18246 1 111 111 PHE . 18246 1 112 112 LEU . 18246 1 113 113 TYR . 18246 1 114 114 TYR . 18246 1 115 115 ALA . 18246 1 116 116 PRO . 18246 1 117 117 PHE . 18246 1 118 118 ASP . 18246 1 119 119 GLY . 18246 1 120 120 ILE . 18246 1 121 121 LEU . 18246 1 122 122 GLY . 18246 1 123 123 LEU . 18246 1 124 124 ALA . 18246 1 125 125 TYR . 18246 1 126 126 PRO . 18246 1 127 127 SER . 18246 1 128 128 ILE . 18246 1 129 129 SER . 18246 1 130 130 ALA . 18246 1 131 131 SER . 18246 1 132 132 GLY . 18246 1 133 133 ALA . 18246 1 134 134 THR . 18246 1 135 135 PRO . 18246 1 136 136 VAL . 18246 1 137 137 PHE . 18246 1 138 138 ASP . 18246 1 139 139 ASN . 18246 1 140 140 LEU . 18246 1 141 141 TRP . 18246 1 142 142 ASP . 18246 1 143 143 GLN . 18246 1 144 144 GLY . 18246 1 145 145 LEU . 18246 1 146 146 VAL . 18246 1 147 147 SER . 18246 1 148 148 GLN . 18246 1 149 149 ASP . 18246 1 150 150 LEU . 18246 1 151 151 PHE . 18246 1 152 152 SER . 18246 1 153 153 VAL . 18246 1 154 154 TYR . 18246 1 155 155 LEU . 18246 1 156 156 SER . 18246 1 157 157 SER . 18246 1 158 158 ASN . 18246 1 159 159 ASP . 18246 1 160 160 ASP . 18246 1 161 161 SER . 18246 1 162 162 GLY . 18246 1 163 163 SER . 18246 1 164 164 VAL . 18246 1 165 165 VAL . 18246 1 166 166 LEU . 18246 1 167 167 LEU . 18246 1 168 168 GLY . 18246 1 169 169 GLY . 18246 1 170 170 ILE . 18246 1 171 171 ASP . 18246 1 172 172 SER . 18246 1 173 173 SER . 18246 1 174 174 TYR . 18246 1 175 175 TYR . 18246 1 176 176 THR . 18246 1 177 177 GLY . 18246 1 178 178 SER . 18246 1 179 179 LEU . 18246 1 180 180 ASN . 18246 1 181 181 TRP . 18246 1 182 182 VAL . 18246 1 183 183 PRO . 18246 1 184 184 VAL . 18246 1 185 185 SER . 18246 1 186 186 VAL . 18246 1 187 187 GLU . 18246 1 188 188 GLY . 18246 1 189 189 TYR . 18246 1 190 190 TRP . 18246 1 191 191 GLN . 18246 1 192 192 ILE . 18246 1 193 193 THR . 18246 1 194 194 LEU . 18246 1 195 195 ASP . 18246 1 196 196 SER . 18246 1 197 197 ILE . 18246 1 198 198 THR . 18246 1 199 199 MET . 18246 1 200 200 ASP . 18246 1 201 201 GLY . 18246 1 202 202 GLU . 18246 1 203 203 THR . 18246 1 204 204 ILE . 18246 1 205 205 ALA . 18246 1 206 206 CYS . 18246 1 207 207 SER . 18246 1 208 208 GLY . 18246 1 209 209 GLY . 18246 1 210 210 CYS . 18246 1 211 211 GLN . 18246 1 212 212 ALA . 18246 1 213 213 ILE . 18246 1 214 214 VAL . 18246 1 215 215 ASP . 18246 1 216 216 THR . 18246 1 217 217 GLY . 18246 1 218 218 THR . 18246 1 219 219 SER . 18246 1 220 220 LEU . 18246 1 221 221 LEU . 18246 1 222 222 THR . 18246 1 223 223 GLY . 18246 1 224 224 PRO . 18246 1 225 225 THR . 18246 1 226 226 SER . 18246 1 227 227 ALA . 18246 1 228 228 ILE . 18246 1 229 229 ALA . 18246 1 230 230 ASN . 18246 1 231 231 ILE . 18246 1 232 232 GLN . 18246 1 233 233 SER . 18246 1 234 234 ASP . 18246 1 235 235 ILE . 18246 1 236 236 GLY . 18246 1 237 237 ALA . 18246 1 238 238 SER . 18246 1 239 239 GLU . 18246 1 240 240 ASN . 18246 1 241 241 SER . 18246 1 242 242 ASP . 18246 1 243 243 GLY . 18246 1 244 244 GLU . 18246 1 245 245 MET . 18246 1 246 246 VAL . 18246 1 247 247 ILE . 18246 1 248 248 SER . 18246 1 249 249 CYS . 18246 1 250 250 SER . 18246 1 251 251 SER . 18246 1 252 252 ILE . 18246 1 253 253 ASP . 18246 1 254 254 SER . 18246 1 255 255 LEU . 18246 1 256 256 PRO . 18246 1 257 257 ASP . 18246 1 258 258 ILE . 18246 1 259 259 VAL . 18246 1 260 260 PHE . 18246 1 261 261 THR . 18246 1 262 262 ILE . 18246 1 263 263 ASN . 18246 1 264 264 GLY . 18246 1 265 265 VAL . 18246 1 266 266 GLN . 18246 1 267 267 TYR . 18246 1 268 268 PRO . 18246 1 269 269 LEU . 18246 1 270 270 SER . 18246 1 271 271 PRO . 18246 1 272 272 SER . 18246 1 273 273 ALA . 18246 1 274 274 TYR . 18246 1 275 275 ILE . 18246 1 276 276 LEU . 18246 1 277 277 GLN . 18246 1 278 278 ASP . 18246 1 279 279 ASP . 18246 1 280 280 ASP . 18246 1 281 281 SER . 18246 1 282 282 CYS . 18246 1 283 283 THR . 18246 1 284 284 SER . 18246 1 285 285 GLY . 18246 1 286 286 PHE . 18246 1 287 287 GLU . 18246 1 288 288 GLY . 18246 1 289 289 MET . 18246 1 290 290 ASP . 18246 1 291 291 VAL . 18246 1 292 292 PRO . 18246 1 293 293 THR . 18246 1 294 294 SER . 18246 1 295 295 SER . 18246 1 296 296 GLY . 18246 1 297 297 GLU . 18246 1 298 298 LEU . 18246 1 299 299 TRP . 18246 1 300 300 ILE . 18246 1 301 301 LEU . 18246 1 302 302 GLY . 18246 1 303 303 ASP . 18246 1 304 304 VAL . 18246 1 305 305 PHE . 18246 1 306 306 ILE . 18246 1 307 307 ARG . 18246 1 308 308 GLN . 18246 1 309 309 TYR . 18246 1 310 310 TYR . 18246 1 311 311 THR . 18246 1 312 312 VAL . 18246 1 313 313 PHE . 18246 1 314 314 ASP . 18246 1 315 315 ARG . 18246 1 316 316 ALA . 18246 1 317 317 ASN . 18246 1 318 318 ASN . 18246 1 319 319 LYS . 18246 1 320 320 VAL . 18246 1 321 321 GLY . 18246 1 322 322 LEU . 18246 1 323 323 ALA . 18246 1 324 324 PRO . 18246 1 325 325 VAL . 18246 1 326 326 ALA . 18246 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 . ILE 1 1 18246 1 . GLY 2 2 18246 1 . ASP 3 3 18246 1 . GLU 4 4 18246 1 . PRO 5 5 18246 1 . LEU 6 6 18246 1 . GLU 7 7 18246 1 . ASN 8 8 18246 1 . TYR 9 9 18246 1 . LEU 10 10 18246 1 . ASP 11 11 18246 1 . THR 12 12 18246 1 . GLU 13 13 18246 1 . TYR 14 14 18246 1 . PHE 15 15 18246 1 . GLY 16 16 18246 1 . THR 17 17 18246 1 . ILE 18 18 18246 1 . GLY 19 19 18246 1 . ILE 20 20 18246 1 . GLY 21 21 18246 1 . THR 22 22 18246 1 . PRO 23 23 18246 1 . ALA 24 24 18246 1 . GLN 25 25 18246 1 . ASP 26 26 18246 1 . PHE 27 27 18246 1 . THR 28 28 18246 1 . VAL 29 29 18246 1 . ILE 30 30 18246 1 . PHE 31 31 18246 1 . ASP 32 32 18246 1 . THR 33 33 18246 1 . GLY 34 34 18246 1 . SER 35 35 18246 1 . SER 36 36 18246 1 . ASN 37 37 18246 1 . LEU 38 38 18246 1 . TRP 39 39 18246 1 . VAL 40 40 18246 1 . PRO 41 41 18246 1 . SER 42 42 18246 1 . VAL 43 43 18246 1 . TYR 44 44 18246 1 . CYS 45 45 18246 1 . SER 46 46 18246 1 . SER 47 47 18246 1 . LEU 48 48 18246 1 . ALA 49 49 18246 1 . CYS 50 50 18246 1 . SER 51 51 18246 1 . ASP 52 52 18246 1 . HIS 53 53 18246 1 . ASN 54 54 18246 1 . GLN 55 55 18246 1 . PHE 56 56 18246 1 . ASN 57 57 18246 1 . PRO 58 58 18246 1 . ASP 59 59 18246 1 . ASP 60 60 18246 1 . SER 61 61 18246 1 . SER 62 62 18246 1 . THR 63 63 18246 1 . PHE 64 64 18246 1 . GLU 65 65 18246 1 . ALA 66 66 18246 1 . THR 67 67 18246 1 . SER 68 68 18246 1 . GLN 69 69 18246 1 . GLU 70 70 18246 1 . LEU 71 71 18246 1 . SER 72 72 18246 1 . ILE 73 73 18246 1 . THR 74 74 18246 1 . TYR 75 75 18246 1 . GLY 76 76 18246 1 . THR 77 77 18246 1 . GLY 78 78 18246 1 . SER 79 79 18246 1 . MET 80 80 18246 1 . THR 81 81 18246 1 . GLY 82 82 18246 1 . ILE 83 83 18246 1 . LEU 84 84 18246 1 . GLY 85 85 18246 1 . TYR 86 86 18246 1 . ASP 87 87 18246 1 . THR 88 88 18246 1 . VAL 89 89 18246 1 . GLN 90 90 18246 1 . VAL 91 91 18246 1 . GLY 92 92 18246 1 . GLY 93 93 18246 1 . ILE 94 94 18246 1 . SER 95 95 18246 1 . ASP 96 96 18246 1 . THR 97 97 18246 1 . ASN 98 98 18246 1 . GLN 99 99 18246 1 . ILE 100 100 18246 1 . PHE 101 101 18246 1 . GLY 102 102 18246 1 . LEU 103 103 18246 1 . SER 104 104 18246 1 . GLU 105 105 18246 1 . THR 106 106 18246 1 . GLU 107 107 18246 1 . PRO 108 108 18246 1 . GLY 109 109 18246 1 . SER 110 110 18246 1 . PHE 111 111 18246 1 . LEU 112 112 18246 1 . TYR 113 113 18246 1 . TYR 114 114 18246 1 . ALA 115 115 18246 1 . PRO 116 116 18246 1 . PHE 117 117 18246 1 . ASP 118 118 18246 1 . GLY 119 119 18246 1 . ILE 120 120 18246 1 . LEU 121 121 18246 1 . GLY 122 122 18246 1 . LEU 123 123 18246 1 . ALA 124 124 18246 1 . TYR 125 125 18246 1 . PRO 126 126 18246 1 . SER 127 127 18246 1 . ILE 128 128 18246 1 . SER 129 129 18246 1 . ALA 130 130 18246 1 . SER 131 131 18246 1 . GLY 132 132 18246 1 . ALA 133 133 18246 1 . THR 134 134 18246 1 . PRO 135 135 18246 1 . VAL 136 136 18246 1 . PHE 137 137 18246 1 . ASP 138 138 18246 1 . ASN 139 139 18246 1 . LEU 140 140 18246 1 . TRP 141 141 18246 1 . ASP 142 142 18246 1 . GLN 143 143 18246 1 . GLY 144 144 18246 1 . LEU 145 145 18246 1 . VAL 146 146 18246 1 . SER 147 147 18246 1 . GLN 148 148 18246 1 . ASP 149 149 18246 1 . LEU 150 150 18246 1 . PHE 151 151 18246 1 . SER 152 152 18246 1 . VAL 153 153 18246 1 . TYR 154 154 18246 1 . LEU 155 155 18246 1 . SER 156 156 18246 1 . SER 157 157 18246 1 . ASN 158 158 18246 1 . ASP 159 159 18246 1 . ASP 160 160 18246 1 . SER 161 161 18246 1 . GLY 162 162 18246 1 . SER 163 163 18246 1 . VAL 164 164 18246 1 . VAL 165 165 18246 1 . LEU 166 166 18246 1 . LEU 167 167 18246 1 . GLY 168 168 18246 1 . GLY 169 169 18246 1 . ILE 170 170 18246 1 . ASP 171 171 18246 1 . SER 172 172 18246 1 . SER 173 173 18246 1 . TYR 174 174 18246 1 . TYR 175 175 18246 1 . THR 176 176 18246 1 . GLY 177 177 18246 1 . SER 178 178 18246 1 . LEU 179 179 18246 1 . ASN 180 180 18246 1 . TRP 181 181 18246 1 . VAL 182 182 18246 1 . PRO 183 183 18246 1 . VAL 184 184 18246 1 . SER 185 185 18246 1 . VAL 186 186 18246 1 . GLU 187 187 18246 1 . GLY 188 188 18246 1 . TYR 189 189 18246 1 . TRP 190 190 18246 1 . GLN 191 191 18246 1 . ILE 192 192 18246 1 . THR 193 193 18246 1 . LEU 194 194 18246 1 . ASP 195 195 18246 1 . SER 196 196 18246 1 . ILE 197 197 18246 1 . THR 198 198 18246 1 . MET 199 199 18246 1 . ASP 200 200 18246 1 . GLY 201 201 18246 1 . GLU 202 202 18246 1 . THR 203 203 18246 1 . ILE 204 204 18246 1 . ALA 205 205 18246 1 . CYS 206 206 18246 1 . SER 207 207 18246 1 . GLY 208 208 18246 1 . GLY 209 209 18246 1 . CYS 210 210 18246 1 . GLN 211 211 18246 1 . ALA 212 212 18246 1 . ILE 213 213 18246 1 . VAL 214 214 18246 1 . ASP 215 215 18246 1 . THR 216 216 18246 1 . GLY 217 217 18246 1 . THR 218 218 18246 1 . SER 219 219 18246 1 . LEU 220 220 18246 1 . LEU 221 221 18246 1 . THR 222 222 18246 1 . GLY 223 223 18246 1 . PRO 224 224 18246 1 . THR 225 225 18246 1 . SER 226 226 18246 1 . ALA 227 227 18246 1 . ILE 228 228 18246 1 . ALA 229 229 18246 1 . ASN 230 230 18246 1 . ILE 231 231 18246 1 . GLN 232 232 18246 1 . SER 233 233 18246 1 . ASP 234 234 18246 1 . ILE 235 235 18246 1 . GLY 236 236 18246 1 . ALA 237 237 18246 1 . SER 238 238 18246 1 . GLU 239 239 18246 1 . ASN 240 240 18246 1 . SER 241 241 18246 1 . ASP 242 242 18246 1 . GLY 243 243 18246 1 . GLU 244 244 18246 1 . MET 245 245 18246 1 . VAL 246 246 18246 1 . ILE 247 247 18246 1 . SER 248 248 18246 1 . CYS 249 249 18246 1 . SER 250 250 18246 1 . SER 251 251 18246 1 . ILE 252 252 18246 1 . ASP 253 253 18246 1 . SER 254 254 18246 1 . LEU 255 255 18246 1 . PRO 256 256 18246 1 . ASP 257 257 18246 1 . ILE 258 258 18246 1 . VAL 259 259 18246 1 . PHE 260 260 18246 1 . THR 261 261 18246 1 . ILE 262 262 18246 1 . ASN 263 263 18246 1 . GLY 264 264 18246 1 . VAL 265 265 18246 1 . GLN 266 266 18246 1 . TYR 267 267 18246 1 . PRO 268 268 18246 1 . LEU 269 269 18246 1 . SER 270 270 18246 1 . PRO 271 271 18246 1 . SER 272 272 18246 1 . ALA 273 273 18246 1 . TYR 274 274 18246 1 . ILE 275 275 18246 1 . LEU 276 276 18246 1 . GLN 277 277 18246 1 . ASP 278 278 18246 1 . ASP 279 279 18246 1 . ASP 280 280 18246 1 . SER 281 281 18246 1 . CYS 282 282 18246 1 . THR 283 283 18246 1 . SER 284 284 18246 1 . GLY 285 285 18246 1 . PHE 286 286 18246 1 . GLU 287 287 18246 1 . GLY 288 288 18246 1 . MET 289 289 18246 1 . ASP 290 290 18246 1 . VAL 291 291 18246 1 . PRO 292 292 18246 1 . THR 293 293 18246 1 . SER 294 294 18246 1 . SER 295 295 18246 1 . GLY 296 296 18246 1 . GLU 297 297 18246 1 . LEU 298 298 18246 1 . TRP 299 299 18246 1 . ILE 300 300 18246 1 . LEU 301 301 18246 1 . GLY 302 302 18246 1 . ASP 303 303 18246 1 . VAL 304 304 18246 1 . PHE 305 305 18246 1 . ILE 306 306 18246 1 . ARG 307 307 18246 1 . GLN 308 308 18246 1 . TYR 309 309 18246 1 . TYR 310 310 18246 1 . THR 311 311 18246 1 . VAL 312 312 18246 1 . PHE 313 313 18246 1 . ASP 314 314 18246 1 . ARG 315 315 18246 1 . ALA 316 316 18246 1 . ASN 317 317 18246 1 . ASN 318 318 18246 1 . LYS 319 319 18246 1 . VAL 320 320 18246 1 . GLY 321 321 18246 1 . LEU 322 322 18246 1 . ALA 323 323 18246 1 . PRO 324 324 18246 1 . VAL 325 325 18246 1 . ALA 326 326 18246 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 18246 _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 $Pepsin . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 18246 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 18246 _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 $Pepsin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pet_32B . . . . . . 18246 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18246 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pepsin '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Pepsin . . 0.2 . . mM . . . . 18246 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18246 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18246 1 4 NaOAc 'natural abundance' . . . . . . 20 . . mM . . . . 18246 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18246 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pepsin '[U-100% 15N]' . . 1 $Pepsin . . 0.2 . . mM . . . . 18246 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18246 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18246 2 4 NaOAc 'natural abundance' . . . . . . 20 . . mM . . . . 18246 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 18246 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18246 1 pH 5.3 . pH 18246 1 pressure 1 . atm 18246 1 temperature 295 . K 18246 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18246 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18246 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18246 1 processing 18246 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18246 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18246 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18246 2 'data analysis' 18246 2 'peak picking' 18246 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18246 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18246 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 18246 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 18246 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18246 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 18246 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 18246 1 H 1 TSP 'methyl protons' . . . . ppm 0.10 internal direct 1.000000000 . . . . . . . . . 18246 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18246 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 18246 _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' . . . 18246 1 2 '3D HNCA' . . . 18246 1 3 '3D HNCO' . . . 18246 1 4 '3D HN(CO)CACB' . . . 18246 1 5 '3D HNCACB' . . . 18246 1 6 '3D HN(CO)CA' . . . 18246 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE C C 13 172.436 0.300 . 1 . . . . 1 ILE C . 18246 1 2 . 1 1 1 1 ILE CA C 13 60.670 0.300 . 1 . . . . 1 ILE CA . 18246 1 3 . 1 1 1 1 ILE CB C 13 38.860 0.300 . 1 . . . . 1 ILE CB . 18246 1 4 . 1 1 2 2 GLY H H 1 8.676 0.020 . 1 . . . . 2 GLY H . 18246 1 5 . 1 1 2 2 GLY CA C 13 45.582 0.300 . 1 . . . . 2 GLY CA . 18246 1 6 . 1 1 2 2 GLY N N 15 113.710 0.300 . 1 . . . . 2 GLY N . 18246 1 7 . 1 1 3 3 ASP H H 1 8.800 0.020 . 1 . . . . 3 ASP H . 18246 1 8 . 1 1 3 3 ASP C C 13 173.409 0.300 . 1 . . . . 3 ASP C . 18246 1 9 . 1 1 3 3 ASP CA C 13 52.434 0.300 . 1 . . . . 3 ASP CA . 18246 1 10 . 1 1 3 3 ASP CB C 13 39.145 0.300 . 1 . . . . 3 ASP CB . 18246 1 11 . 1 1 3 3 ASP N N 15 119.474 0.300 . 1 . . . . 3 ASP N . 18246 1 12 . 1 1 4 4 GLU H H 1 9.013 0.020 . 1 . . . . 4 GLU H . 18246 1 13 . 1 1 4 4 GLU C C 13 171.778 0.300 . 1 . . . . 4 GLU C . 18246 1 14 . 1 1 4 4 GLU CA C 13 50.618 0.300 . 1 . . . . 4 GLU CA . 18246 1 15 . 1 1 4 4 GLU CB C 13 27.595 0.300 . 1 . . . . 4 GLU CB . 18246 1 16 . 1 1 4 4 GLU N N 15 126.602 0.300 . 1 . . . . 4 GLU N . 18246 1 17 . 1 1 5 5 PRO CA C 13 62.500 0.300 . 1 . . . . 5 PRO CA . 18246 1 18 . 1 1 5 5 PRO CB C 13 32.201 0.300 . 1 . . . . 5 PRO CB . 18246 1 19 . 1 1 6 6 LEU H H 1 7.685 0.020 . 1 . . . . 6 LEU H . 18246 1 20 . 1 1 6 6 LEU C C 13 176.557 0.300 . 1 . . . . 6 LEU C . 18246 1 21 . 1 1 6 6 LEU CA C 13 51.655 0.300 . 1 . . . . 6 LEU CA . 18246 1 22 . 1 1 6 6 LEU CB C 13 43.735 0.300 . 1 . . . . 6 LEU CB . 18246 1 23 . 1 1 6 6 LEU N N 15 119.606 0.300 . 1 . . . . 6 LEU N . 18246 1 24 . 1 1 7 7 GLU H H 1 9.372 0.020 . 1 . . . . 7 GLU H . 18246 1 25 . 1 1 7 7 GLU C C 13 173.581 0.300 . 1 . . . . 7 GLU C . 18246 1 26 . 1 1 7 7 GLU CA C 13 54.461 0.300 . 1 . . . . 7 GLU CA . 18246 1 27 . 1 1 7 7 GLU CB C 13 28.876 0.300 . 1 . . . . 7 GLU CB . 18246 1 28 . 1 1 7 7 GLU N N 15 125.810 0.300 . 1 . . . . 7 GLU N . 18246 1 29 . 1 1 8 8 ASN H H 1 8.129 0.020 . 1 . . . . 8 ASN H . 18246 1 30 . 1 1 8 8 ASN C C 13 174.522 0.300 . 1 . . . . 8 ASN C . 18246 1 31 . 1 1 8 8 ASN CA C 13 50.832 0.300 . 1 . . . . 8 ASN CA . 18246 1 32 . 1 1 8 8 ASN CB C 13 38.692 0.300 . 1 . . . . 8 ASN CB . 18246 1 33 . 1 1 8 8 ASN N N 15 122.111 0.300 . 1 . . . . 8 ASN N . 18246 1 34 . 1 1 9 9 TYR H H 1 8.235 0.020 . 1 . . . . 9 TYR H . 18246 1 35 . 1 1 9 9 TYR C C 13 174.153 0.300 . 1 . . . . 9 TYR C . 18246 1 36 . 1 1 9 9 TYR CA C 13 56.894 0.300 . 1 . . . . 9 TYR CA . 18246 1 37 . 1 1 9 9 TYR CB C 13 38.828 0.300 . 1 . . . . 9 TYR CB . 18246 1 38 . 1 1 9 9 TYR N N 15 128.537 0.300 . 1 . . . . 9 TYR N . 18246 1 39 . 1 1 10 10 LEU H H 1 8.293 0.020 . 1 . . . . 10 LEU H . 18246 1 40 . 1 1 10 10 LEU C C 13 176.729 0.300 . 1 . . . . 10 LEU C . 18246 1 41 . 1 1 10 10 LEU CA C 13 55.410 0.300 . 1 . . . . 10 LEU CA . 18246 1 42 . 1 1 10 10 LEU CB C 13 38.808 0.300 . 1 . . . . 10 LEU CB . 18246 1 43 . 1 1 10 10 LEU N N 15 124.449 0.300 . 1 . . . . 10 LEU N . 18246 1 44 . 1 1 11 11 ASP H H 1 8.816 0.020 . 1 . . . . 11 ASP H . 18246 1 45 . 1 1 11 11 ASP C C 13 176.027 0.300 . 1 . . . . 11 ASP C . 18246 1 46 . 1 1 11 11 ASP CA C 13 54.594 0.300 . 1 . . . . 11 ASP CA . 18246 1 47 . 1 1 11 11 ASP CB C 13 37.780 0.300 . 1 . . . . 11 ASP CB . 18246 1 48 . 1 1 11 11 ASP N N 15 117.396 0.300 . 1 . . . . 11 ASP N . 18246 1 49 . 1 1 12 12 THR H H 1 8.742 0.020 . 1 . . . . 12 THR H . 18246 1 50 . 1 1 12 12 THR C C 13 173.667 0.300 . 1 . . . . 12 THR C . 18246 1 51 . 1 1 12 12 THR CA C 13 64.010 0.300 . 1 . . . . 12 THR CA . 18246 1 52 . 1 1 12 12 THR CB C 13 71.356 0.300 . 1 . . . . 12 THR CB . 18246 1 53 . 1 1 12 12 THR N N 15 112.478 0.300 . 1 . . . . 12 THR N . 18246 1 54 . 1 1 13 13 GLU H H 1 7.678 0.020 . 1 . . . . 13 GLU H . 18246 1 55 . 1 1 13 13 GLU C C 13 172.408 0.300 . 1 . . . . 13 GLU C . 18246 1 56 . 1 1 13 13 GLU CA C 13 54.739 0.300 . 1 . . . . 13 GLU CA . 18246 1 57 . 1 1 13 13 GLU CB C 13 31.878 0.300 . 1 . . . . 13 GLU CB . 18246 1 58 . 1 1 13 13 GLU N N 15 121.058 0.300 . 1 . . . . 13 GLU N . 18246 1 59 . 1 1 14 14 TYR H H 1 8.720 0.020 . 1 . . . . 14 TYR H . 18246 1 60 . 1 1 14 14 TYR C C 13 175.153 0.300 . 1 . . . . 14 TYR C . 18246 1 61 . 1 1 14 14 TYR CA C 13 55.868 0.300 . 1 . . . . 14 TYR CA . 18246 1 62 . 1 1 14 14 TYR CB C 13 39.186 0.300 . 1 . . . . 14 TYR CB . 18246 1 63 . 1 1 14 14 TYR N N 15 121.278 0.300 . 1 . . . . 14 TYR N . 18246 1 64 . 1 1 15 15 PHE H H 1 7.329 0.020 . 1 . . . . 15 PHE H . 18246 1 65 . 1 1 15 15 PHE C C 13 173.627 0.300 . 1 . . . . 15 PHE C . 18246 1 66 . 1 1 15 15 PHE CA C 13 52.885 0.300 . 1 . . . . 15 PHE CA . 18246 1 67 . 1 1 15 15 PHE CB C 13 41.435 0.300 . 1 . . . . 15 PHE CB . 18246 1 68 . 1 1 15 15 PHE N N 15 117.830 0.300 . 1 . . . . 15 PHE N . 18246 1 69 . 1 1 16 16 GLY H H 1 8.888 0.020 . 1 . . . . 16 GLY H . 18246 1 70 . 1 1 16 16 GLY C C 13 172.798 0.300 . 1 . . . . 16 GLY C . 18246 1 71 . 1 1 16 16 GLY CA C 13 43.636 0.300 . 1 . . . . 16 GLY CA . 18246 1 72 . 1 1 16 16 GLY N N 15 107.375 0.300 . 1 . . . . 16 GLY N . 18246 1 73 . 1 1 17 17 THR H H 1 9.035 0.020 . 1 . . . . 17 THR H . 18246 1 74 . 1 1 17 17 THR C C 13 176.929 0.300 . 1 . . . . 17 THR C . 18246 1 75 . 1 1 17 17 THR CA C 13 62.694 0.300 . 1 . . . . 17 THR CA . 18246 1 76 . 1 1 17 17 THR CB C 13 69.644 0.300 . 1 . . . . 17 THR CB . 18246 1 77 . 1 1 17 17 THR N N 15 117.758 0.300 . 1 . . . . 17 THR N . 18246 1 78 . 1 1 18 18 ILE H H 1 9.483 0.020 . 1 . . . . 18 ILE H . 18246 1 79 . 1 1 18 18 ILE C C 13 173.141 0.300 . 1 . . . . 18 ILE C . 18246 1 80 . 1 1 18 18 ILE CA C 13 59.999 0.300 . 1 . . . . 18 ILE CA . 18246 1 81 . 1 1 18 18 ILE CB C 13 42.075 0.300 . 1 . . . . 18 ILE CB . 18246 1 82 . 1 1 18 18 ILE N N 15 124.760 0.300 . 1 . . . . 18 ILE N . 18246 1 83 . 1 1 19 19 GLY H H 1 8.367 0.020 . 1 . . . . 19 GLY H . 18246 1 84 . 1 1 19 19 GLY C C 13 173.367 0.300 . 1 . . . . 19 GLY C . 18246 1 85 . 1 1 19 19 GLY CA C 13 43.807 0.300 . 1 . . . . 19 GLY CA . 18246 1 86 . 1 1 19 19 GLY N N 15 108.475 0.300 . 1 . . . . 19 GLY N . 18246 1 87 . 1 1 20 20 ILE H H 1 9.732 0.020 . 1 . . . . 20 ILE H . 18246 1 88 . 1 1 20 20 ILE C C 13 176.729 0.300 . 1 . . . . 20 ILE C . 18246 1 89 . 1 1 20 20 ILE CA C 13 61.133 0.300 . 1 . . . . 20 ILE CA . 18246 1 90 . 1 1 20 20 ILE CB C 13 40.644 0.300 . 1 . . . . 20 ILE CB . 18246 1 91 . 1 1 20 20 ILE N N 15 124.050 0.300 . 1 . . . . 20 ILE N . 18246 1 92 . 1 1 21 21 GLY H H 1 8.177 0.020 . 1 . . . . 21 GLY H . 18246 1 93 . 1 1 21 21 GLY C C 13 174.325 0.300 . 1 . . . . 21 GLY C . 18246 1 94 . 1 1 21 21 GLY CA C 13 42.262 0.300 . 1 . . . . 21 GLY CA . 18246 1 95 . 1 1 21 21 GLY N N 15 114.590 0.300 . 1 . . . . 21 GLY N . 18246 1 96 . 1 1 22 22 THR H H 1 7.957 0.020 . 1 . . . . 22 THR H . 18246 1 97 . 1 1 22 22 THR C C 13 173.237 0.300 . 1 . . . . 22 THR C . 18246 1 98 . 1 1 22 22 THR CA C 13 59.661 0.300 . 1 . . . . 22 THR CA . 18246 1 99 . 1 1 22 22 THR CB C 13 69.991 0.300 . 1 . . . . 22 THR CB . 18246 1 100 . 1 1 22 22 THR N N 15 114.238 0.300 . 1 . . . . 22 THR N . 18246 1 101 . 1 1 23 23 PRO C C 13 175.970 0.300 . 1 . . . . 23 PRO C . 18246 1 102 . 1 1 23 23 PRO CA C 13 62.793 0.300 . 1 . . . . 23 PRO CA . 18246 1 103 . 1 1 23 23 PRO CB C 13 34.073 0.300 . 1 . . . . 23 PRO CB . 18246 1 104 . 1 1 24 24 ALA H H 1 8.243 0.020 . 1 . . . . 24 ALA H . 18246 1 105 . 1 1 24 24 ALA C C 13 178.445 0.300 . 1 . . . . 24 ALA C . 18246 1 106 . 1 1 24 24 ALA CA C 13 54.281 0.300 . 1 . . . . 24 ALA CA . 18246 1 107 . 1 1 24 24 ALA CB C 13 17.904 0.300 . 1 . . . . 24 ALA CB . 18246 1 108 . 1 1 24 24 ALA N N 15 122.158 0.300 . 1 . . . . 24 ALA N . 18246 1 109 . 1 1 25 25 GLN H H 1 8.667 0.020 . 1 . . . . 25 GLN H . 18246 1 110 . 1 1 25 25 GLN C C 13 174.794 0.300 . 1 . . . . 25 GLN C . 18246 1 111 . 1 1 25 25 GLN CA C 13 54.552 0.300 . 1 . . . . 25 GLN CA . 18246 1 112 . 1 1 25 25 GLN CB C 13 29.604 0.300 . 1 . . . . 25 GLN CB . 18246 1 113 . 1 1 25 25 GLN N N 15 125.261 0.300 . 1 . . . . 25 GLN N . 18246 1 114 . 1 1 26 26 ASP H H 1 8.069 0.020 . 1 . . . . 26 ASP H . 18246 1 115 . 1 1 26 26 ASP C C 13 174.991 0.300 . 1 . . . . 26 ASP C . 18246 1 116 . 1 1 26 26 ASP CA C 13 53.261 0.300 . 1 . . . . 26 ASP CA . 18246 1 117 . 1 1 26 26 ASP CB C 13 40.098 0.300 . 1 . . . . 26 ASP CB . 18246 1 118 . 1 1 26 26 ASP N N 15 123.293 0.300 . 1 . . . . 26 ASP N . 18246 1 119 . 1 1 27 27 PHE H H 1 8.681 0.020 . 1 . . . . 27 PHE H . 18246 1 120 . 1 1 27 27 PHE C C 13 174.954 0.300 . 1 . . . . 27 PHE C . 18246 1 121 . 1 1 27 27 PHE CA C 13 56.859 0.300 . 1 . . . . 27 PHE CA . 18246 1 122 . 1 1 27 27 PHE CB C 13 44.702 0.300 . 1 . . . . 27 PHE CB . 18246 1 123 . 1 1 27 27 PHE N N 15 116.769 0.300 . 1 . . . . 27 PHE N . 18246 1 124 . 1 1 28 28 THR H H 1 9.695 0.020 . 1 . . . . 28 THR H . 18246 1 125 . 1 1 28 28 THR C C 13 176.213 0.300 . 1 . . . . 28 THR C . 18246 1 126 . 1 1 28 28 THR CA C 13 59.546 0.300 . 1 . . . . 28 THR CA . 18246 1 127 . 1 1 28 28 THR CB C 13 70.684 0.300 . 1 . . . . 28 THR CB . 18246 1 128 . 1 1 28 28 THR N N 15 114.546 0.300 . 1 . . . . 28 THR N . 18246 1 129 . 1 1 29 29 VAL H H 1 9.409 0.020 . 1 . . . . 29 VAL H . 18246 1 130 . 1 1 29 29 VAL C C 13 175.887 0.300 . 1 . . . . 29 VAL C . 18246 1 131 . 1 1 29 29 VAL CA C 13 56.456 0.300 . 1 . . . . 29 VAL CA . 18246 1 132 . 1 1 29 29 VAL CB C 13 34.678 0.300 . 1 . . . . 29 VAL CB . 18246 1 133 . 1 1 29 29 VAL N N 15 115.162 0.300 . 1 . . . . 29 VAL N . 18246 1 134 . 1 1 30 30 ILE H H 1 7.329 0.020 . 1 . . . . 30 ILE H . 18246 1 135 . 1 1 30 30 ILE C C 13 176.528 0.300 . 1 . . . . 30 ILE C . 18246 1 136 . 1 1 30 30 ILE CA C 13 59.546 0.300 . 1 . . . . 30 ILE CA . 18246 1 137 . 1 1 30 30 ILE CB C 13 36.729 0.300 . 1 . . . . 30 ILE CB . 18246 1 138 . 1 1 30 30 ILE N N 15 123.073 0.300 . 1 . . . . 30 ILE N . 18246 1 139 . 1 1 31 31 PHE H H 1 6.974 0.020 . 1 . . . . 31 PHE H . 18246 1 140 . 1 1 31 31 PHE C C 13 174.666 0.300 . 1 . . . . 31 PHE C . 18246 1 141 . 1 1 31 31 PHE CA C 13 58.058 0.300 . 1 . . . . 31 PHE CA . 18246 1 142 . 1 1 31 31 PHE CB C 13 37.614 0.300 . 1 . . . . 31 PHE CB . 18246 1 143 . 1 1 31 31 PHE N N 15 129.373 0.300 . 1 . . . . 31 PHE N . 18246 1 144 . 1 1 32 32 ASP H H 1 8.500 0.020 . 1 . . . . 32 ASP H . 18246 1 145 . 1 1 32 32 ASP C C 13 175.927 0.300 . 1 . . . . 32 ASP C . 18246 1 146 . 1 1 32 32 ASP CA C 13 53.136 0.300 . 1 . . . . 32 ASP CA . 18246 1 147 . 1 1 32 32 ASP CB C 13 44.551 0.300 . 1 . . . . 32 ASP CB . 18246 1 148 . 1 1 32 32 ASP N N 15 127.877 0.300 . 1 . . . . 32 ASP N . 18246 1 149 . 1 1 33 33 THR H H 1 8.698 0.020 . 1 . . . . 33 THR H . 18246 1 150 . 1 1 33 33 THR C C 13 173.681 0.300 . 1 . . . . 33 THR C . 18246 1 151 . 1 1 33 33 THR CA C 13 64.167 0.300 . 1 . . . . 33 THR CA . 18246 1 152 . 1 1 33 33 THR CB C 13 68.362 0.300 . 1 . . . . 33 THR CB . 18246 1 153 . 1 1 33 33 THR N N 15 116.398 0.300 . 1 . . . . 33 THR N . 18246 1 154 . 1 1 34 34 GLY H H 1 8.345 0.020 . 1 . . . . 34 GLY H . 18246 1 155 . 1 1 34 34 GLY C C 13 170.404 0.300 . 1 . . . . 34 GLY C . 18246 1 156 . 1 1 34 34 GLY CA C 13 44.780 0.300 . 1 . . . . 34 GLY CA . 18246 1 157 . 1 1 34 34 GLY N N 15 114.634 0.300 . 1 . . . . 34 GLY N . 18246 1 158 . 1 1 35 35 SER H H 1 7.524 0.020 . 1 . . . . 35 SER H . 18246 1 159 . 1 1 35 35 SER C C 13 174.096 0.300 . 1 . . . . 35 SER C . 18246 1 160 . 1 1 35 35 SER CA C 13 58.459 0.300 . 1 . . . . 35 SER CA . 18246 1 161 . 1 1 35 35 SER CB C 13 65.252 0.300 . 1 . . . . 35 SER CB . 18246 1 162 . 1 1 35 35 SER N N 15 112.214 0.300 . 1 . . . . 35 SER N . 18246 1 163 . 1 1 36 36 SER H H 1 9.746 0.020 . 1 . . . . 36 SER H . 18246 1 164 . 1 1 36 36 SER C C 13 172.436 0.300 . 1 . . . . 36 SER C . 18246 1 165 . 1 1 36 36 SER CA C 13 58.721 0.300 . 1 . . . . 36 SER CA . 18246 1 166 . 1 1 36 36 SER CB C 13 63.870 0.300 . 1 . . . . 36 SER CB . 18246 1 167 . 1 1 36 36 SER N N 15 111.994 0.300 . 1 . . . . 36 SER N . 18246 1 168 . 1 1 37 37 ASN H H 1 7.070 0.020 . 1 . . . . 37 ASN H . 18246 1 169 . 1 1 37 37 ASN C C 13 176.042 0.300 . 1 . . . . 37 ASN C . 18246 1 170 . 1 1 37 37 ASN CA C 13 54.681 0.300 . 1 . . . . 37 ASN CA . 18246 1 171 . 1 1 37 37 ASN CB C 13 41.926 0.300 . 1 . . . . 37 ASN CB . 18246 1 172 . 1 1 37 37 ASN N N 15 118.371 0.300 . 1 . . . . 37 ASN N . 18246 1 173 . 1 1 38 38 LEU H H 1 7.553 0.020 . 1 . . . . 38 LEU H . 18246 1 174 . 1 1 38 38 LEU C C 13 175.970 0.300 . 1 . . . . 38 LEU C . 18246 1 175 . 1 1 38 38 LEU CA C 13 53.636 0.300 . 1 . . . . 38 LEU CA . 18246 1 176 . 1 1 38 38 LEU CB C 13 41.644 0.300 . 1 . . . . 38 LEU CB . 18246 1 177 . 1 1 38 38 LEU N N 15 125.194 0.300 . 1 . . . . 38 LEU N . 18246 1 178 . 1 1 39 39 TRP H H 1 8.551 0.020 . 1 . . . . 39 TRP H . 18246 1 179 . 1 1 39 39 TRP C C 13 171.406 0.300 . 1 . . . . 39 TRP C . 18246 1 180 . 1 1 39 39 TRP CA C 13 55.940 0.300 . 1 . . . . 39 TRP CA . 18246 1 181 . 1 1 39 39 TRP CB C 13 31.878 0.300 . 1 . . . . 39 TRP CB . 18246 1 182 . 1 1 39 39 TRP N N 15 127.041 0.300 . 1 . . . . 39 TRP N . 18246 1 183 . 1 1 40 40 VAL H H 1 8.448 0.020 . 1 . . . . 40 VAL H . 18246 1 184 . 1 1 40 40 VAL C C 13 171.749 0.300 . 1 . . . . 40 VAL C . 18246 1 185 . 1 1 40 40 VAL CA C 13 58.516 0.300 . 1 . . . . 40 VAL CA . 18246 1 186 . 1 1 40 40 VAL CB C 13 32.571 0.300 . 1 . . . . 40 VAL CB . 18246 1 187 . 1 1 40 40 VAL N N 15 110.234 0.300 . 1 . . . . 40 VAL N . 18246 1 188 . 1 1 41 41 PRO C C 13 177.115 0.300 . 1 . . . . 41 PRO C . 18246 1 189 . 1 1 41 41 PRO CA C 13 61.076 0.300 . 1 . . . . 41 PRO CA . 18246 1 190 . 1 1 41 41 PRO CB C 13 30.458 0.300 . 1 . . . . 41 PRO CB . 18246 1 191 . 1 1 42 42 SER H H 1 7.069 0.020 . 1 . . . . 42 SER H . 18246 1 192 . 1 1 42 42 SER C C 13 175.069 0.300 . 1 . . . . 42 SER C . 18246 1 193 . 1 1 42 42 SER CA C 13 56.971 0.300 . 1 . . . . 42 SER CA . 18246 1 194 . 1 1 42 42 SER CB C 13 70.799 0.300 . 1 . . . . 42 SER CB . 18246 1 195 . 1 1 42 42 SER N N 15 112.258 0.300 . 1 . . . . 42 SER N . 18246 1 196 . 1 1 43 43 VAL H H 1 7.435 0.020 . 1 . . . . 43 VAL H . 18246 1 197 . 1 1 43 43 VAL C C 13 175.608 0.300 . 1 . . . . 43 VAL C . 18246 1 198 . 1 1 43 43 VAL CA C 13 62.350 0.300 . 1 . . . . 43 VAL CA . 18246 1 199 . 1 1 43 43 VAL CB C 13 30.871 0.300 . 1 . . . . 43 VAL CB . 18246 1 200 . 1 1 43 43 VAL N N 15 112.363 0.300 . 1 . . . . 43 VAL N . 18246 1 201 . 1 1 44 44 TYR H H 1 7.553 0.020 . 1 . . . . 44 TYR H . 18246 1 202 . 1 1 44 44 TYR C C 13 174.697 0.300 . 1 . . . . 44 TYR C . 18246 1 203 . 1 1 44 44 TYR CA C 13 56.284 0.300 . 1 . . . . 44 TYR CA . 18246 1 204 . 1 1 44 44 TYR CB C 13 37.307 0.300 . 1 . . . . 44 TYR CB . 18246 1 205 . 1 1 44 44 TYR N N 15 120.706 0.300 . 1 . . . . 44 TYR N . 18246 1 206 . 1 1 45 45 CYS H H 1 7.531 0.020 . 1 . . . . 45 CYS H . 18246 1 207 . 1 1 45 45 CYS C C 13 174.406 0.300 . 1 . . . . 45 CYS C . 18246 1 208 . 1 1 45 45 CYS CA C 13 53.880 0.300 . 1 . . . . 45 CYS CA . 18246 1 209 . 1 1 45 45 CYS CB C 13 44.698 0.300 . 1 . . . . 45 CYS CB . 18246 1 210 . 1 1 45 45 CYS N N 15 119.122 0.300 . 1 . . . . 45 CYS N . 18246 1 211 . 1 1 46 46 SER H H 1 8.632 0.020 . 1 . . . . 46 SER H . 18246 1 212 . 1 1 46 46 SER C C 13 174.666 0.300 . 1 . . . . 46 SER C . 18246 1 213 . 1 1 46 46 SER CA C 13 57.257 0.300 . 1 . . . . 46 SER CA . 18246 1 214 . 1 1 46 46 SER CB C 13 63.754 0.300 . 1 . . . . 46 SER CB . 18246 1 215 . 1 1 46 46 SER N N 15 122.422 0.300 . 1 . . . . 46 SER N . 18246 1 216 . 1 1 47 47 SER H H 1 7.691 0.020 . 1 . . . . 47 SER H . 18246 1 217 . 1 1 47 47 SER C C 13 174.897 0.300 . 1 . . . . 47 SER C . 18246 1 218 . 1 1 47 47 SER CA C 13 58.630 0.300 . 1 . . . . 47 SER CA . 18246 1 219 . 1 1 47 47 SER CB C 13 63.982 0.300 . 1 . . . . 47 SER CB . 18246 1 220 . 1 1 47 47 SER N N 15 119.804 0.300 . 1 . . . . 47 SER N . 18246 1 221 . 1 1 48 48 LEU H H 1 9.020 0.020 . 1 . . . . 48 LEU H . 18246 1 222 . 1 1 48 48 LEU C C 13 181.278 0.300 . 1 . . . . 48 LEU C . 18246 1 223 . 1 1 48 48 LEU CA C 13 58.844 0.300 . 1 . . . . 48 LEU CA . 18246 1 224 . 1 1 48 48 LEU CB C 13 40.316 0.300 . 1 . . . . 48 LEU CB . 18246 1 225 . 1 1 48 48 LEU N N 15 130.121 0.300 . 1 . . . . 48 LEU N . 18246 1 226 . 1 1 49 49 ALA H H 1 9.182 0.020 . 1 . . . . 49 ALA H . 18246 1 227 . 1 1 49 49 ALA C C 13 177.759 0.300 . 1 . . . . 49 ALA C . 18246 1 228 . 1 1 49 49 ALA CA C 13 54.624 0.300 . 1 . . . . 49 ALA CA . 18246 1 229 . 1 1 49 49 ALA CB C 13 18.458 0.300 . 1 . . . . 49 ALA CB . 18246 1 230 . 1 1 49 49 ALA N N 15 119.078 0.300 . 1 . . . . 49 ALA N . 18246 1 231 . 1 1 50 50 CYS H H 1 7.275 0.020 . 1 . . . . 50 CYS H . 18246 1 232 . 1 1 50 50 CYS C C 13 174.039 0.300 . 1 . . . . 50 CYS C . 18246 1 233 . 1 1 50 50 CYS CA C 13 56.169 0.300 . 1 . . . . 50 CYS CA . 18246 1 234 . 1 1 50 50 CYS CB C 13 40.425 0.300 . 1 . . . . 50 CYS CB . 18246 1 235 . 1 1 50 50 CYS N N 15 114.062 0.300 . 1 . . . . 50 CYS N . 18246 1 236 . 1 1 51 51 SER H H 1 7.612 0.020 . 1 . . . . 51 SER H . 18246 1 237 . 1 1 51 51 SER C C 13 174.471 0.300 . 1 . . . . 51 SER C . 18246 1 238 . 1 1 51 51 SER CA C 13 60.290 0.300 . 1 . . . . 51 SER CA . 18246 1 239 . 1 1 51 51 SER CB C 13 64.216 0.300 . 1 . . . . 51 SER CB . 18246 1 240 . 1 1 51 51 SER N N 15 113.578 0.300 . 1 . . . . 51 SER N . 18246 1 241 . 1 1 52 52 ASP H H 1 7.449 0.020 . 1 . . . . 52 ASP H . 18246 1 242 . 1 1 52 52 ASP C C 13 172.878 0.300 . 1 . . . . 52 ASP C . 18246 1 243 . 1 1 52 52 ASP CA C 13 51.076 0.300 . 1 . . . . 52 ASP CA . 18246 1 244 . 1 1 52 52 ASP CB C 13 36.383 0.300 . 1 . . . . 52 ASP CB . 18246 1 245 . 1 1 52 52 ASP N N 15 118.476 0.300 . 1 . . . . 52 ASP N . 18246 1 246 . 1 1 53 53 HIS H H 1 6.959 0.020 . 1 . . . . 53 HIS H . 18246 1 247 . 1 1 53 53 HIS C C 13 172.608 0.300 . 1 . . . . 53 HIS C . 18246 1 248 . 1 1 53 53 HIS CA C 13 57.257 0.300 . 1 . . . . 53 HIS CA . 18246 1 249 . 1 1 53 53 HIS CB C 13 32.340 0.300 . 1 . . . . 53 HIS CB . 18246 1 250 . 1 1 53 53 HIS N N 15 116.482 0.300 . 1 . . . . 53 HIS N . 18246 1 251 . 1 1 54 54 ASN H H 1 8.067 0.020 . 1 . . . . 54 ASN H . 18246 1 252 . 1 1 54 54 ASN C C 13 173.752 0.300 . 1 . . . . 54 ASN C . 18246 1 253 . 1 1 54 54 ASN CA C 13 53.995 0.300 . 1 . . . . 54 ASN CA . 18246 1 254 . 1 1 54 54 ASN CB C 13 38.577 0.300 . 1 . . . . 54 ASN CB . 18246 1 255 . 1 1 54 54 ASN N N 15 121.014 0.300 . 1 . . . . 54 ASN N . 18246 1 256 . 1 1 55 55 GLN H H 1 8.111 0.020 . 1 . . . . 55 GLN H . 18246 1 257 . 1 1 55 55 GLN C C 13 175.784 0.300 . 1 . . . . 55 GLN C . 18246 1 258 . 1 1 55 55 GLN CA C 13 53.193 0.300 . 1 . . . . 55 GLN CA . 18246 1 259 . 1 1 55 55 GLN CB C 13 32.022 0.300 . 1 . . . . 55 GLN CB . 18246 1 260 . 1 1 55 55 GLN N N 15 116.526 0.300 . 1 . . . . 55 GLN N . 18246 1 261 . 1 1 56 56 PHE H H 1 9.550 0.020 . 1 . . . . 56 PHE H . 18246 1 262 . 1 1 56 56 PHE C C 13 174.353 0.300 . 1 . . . . 56 PHE C . 18246 1 263 . 1 1 56 56 PHE CA C 13 58.844 0.300 . 1 . . . . 56 PHE CA . 18246 1 264 . 1 1 56 56 PHE CB C 13 39.277 0.300 . 1 . . . . 56 PHE CB . 18246 1 265 . 1 1 56 56 PHE N N 15 126.883 0.300 . 1 . . . . 56 PHE N . 18246 1 266 . 1 1 57 57 ASN H H 1 8.727 0.020 . 1 . . . . 57 ASN H . 18246 1 267 . 1 1 57 57 ASN C C 13 174.471 0.300 . 1 . . . . 57 ASN C . 18246 1 268 . 1 1 57 57 ASN CA C 13 48.329 0.300 . 1 . . . . 57 ASN CA . 18246 1 269 . 1 1 57 57 ASN CB C 13 38.886 0.300 . 1 . . . . 57 ASN CB . 18246 1 270 . 1 1 57 57 ASN N N 15 126.909 0.300 . 1 . . . . 57 ASN N . 18246 1 271 . 1 1 58 58 PRO C C 13 177.630 0.300 . 1 . . . . 58 PRO C . 18246 1 272 . 1 1 58 58 PRO CA C 13 64.052 0.300 . 1 . . . . 58 PRO CA . 18246 1 273 . 1 1 58 58 PRO CB C 13 31.395 0.300 . 1 . . . . 58 PRO CB . 18246 1 274 . 1 1 59 59 ASP H H 1 7.024 0.020 . 1 . . . . 59 ASP H . 18246 1 275 . 1 1 59 59 ASP C C 13 176.471 0.300 . 1 . . . . 59 ASP C . 18246 1 276 . 1 1 59 59 ASP CA C 13 55.540 0.300 . 1 . . . . 59 ASP CA . 18246 1 277 . 1 1 59 59 ASP CB C 13 39.270 0.300 . 1 . . . . 59 ASP CB . 18246 1 278 . 1 1 59 59 ASP N N 15 115.467 0.300 . 1 . . . . 59 ASP N . 18246 1 279 . 1 1 60 60 ASP H H 1 6.637 0.020 . 1 . . . . 60 ASP H . 18246 1 280 . 1 1 60 60 ASP C C 13 176.328 0.300 . 1 . . . . 60 ASP C . 18246 1 281 . 1 1 60 60 ASP CA C 13 53.136 0.300 . 1 . . . . 60 ASP CA . 18246 1 282 . 1 1 60 60 ASP CB C 13 40.194 0.300 . 1 . . . . 60 ASP CB . 18246 1 283 . 1 1 60 60 ASP N N 15 115.382 0.300 . 1 . . . . 60 ASP N . 18246 1 284 . 1 1 61 61 SER H H 1 7.377 0.020 . 1 . . . . 61 SER H . 18246 1 285 . 1 1 61 61 SER C C 13 176.048 0.300 . 1 . . . . 61 SER C . 18246 1 286 . 1 1 61 61 SER CA C 13 54.395 0.300 . 1 . . . . 61 SER CA . 18246 1 287 . 1 1 61 61 SER CB C 13 63.061 0.300 . 1 . . . . 61 SER CB . 18246 1 288 . 1 1 61 61 SER N N 15 116.130 0.300 . 1 . . . . 61 SER N . 18246 1 289 . 1 1 62 62 SER H H 1 8.918 0.020 . 1 . . . . 62 SER H . 18246 1 290 . 1 1 62 62 SER C C 13 175.835 0.300 . 1 . . . . 62 SER C . 18246 1 291 . 1 1 62 62 SER CA C 13 59.531 0.300 . 1 . . . . 62 SER CA . 18246 1 292 . 1 1 62 62 SER CB C 13 62.830 0.300 . 1 . . . . 62 SER CB . 18246 1 293 . 1 1 62 62 SER N N 15 123.126 0.300 . 1 . . . . 62 SER N . 18246 1 294 . 1 1 63 63 THR H H 1 7.974 0.020 . 1 . . . . 63 THR H . 18246 1 295 . 1 1 63 63 THR C C 13 173.836 0.300 . 1 . . . . 63 THR C . 18246 1 296 . 1 1 63 63 THR CA C 13 60.290 0.300 . 1 . . . . 63 THR CA . 18246 1 297 . 1 1 63 63 THR CB C 13 68.359 0.300 . 1 . . . . 63 THR CB . 18246 1 298 . 1 1 63 63 THR N N 15 110.711 0.300 . 1 . . . . 63 THR N . 18246 1 299 . 1 1 64 64 PHE H H 1 6.812 0.020 . 1 . . . . 64 PHE H . 18246 1 300 . 1 1 64 64 PHE C C 13 175.985 0.300 . 1 . . . . 64 PHE C . 18246 1 301 . 1 1 64 64 PHE CA C 13 59.088 0.300 . 1 . . . . 64 PHE CA . 18246 1 302 . 1 1 64 64 PHE CB C 13 39.515 0.300 . 1 . . . . 64 PHE CB . 18246 1 303 . 1 1 64 64 PHE N N 15 124.227 0.300 . 1 . . . . 64 PHE N . 18246 1 304 . 1 1 65 65 GLU H H 1 8.448 0.020 . 1 . . . . 65 GLU H . 18246 1 305 . 1 1 65 65 GLU C C 13 173.180 0.300 . 1 . . . . 65 GLU C . 18246 1 306 . 1 1 65 65 GLU CA C 13 54.166 0.300 . 1 . . . . 65 GLU CA . 18246 1 307 . 1 1 65 65 GLU CB C 13 31.301 0.300 . 1 . . . . 65 GLU CB . 18246 1 308 . 1 1 65 65 GLU N N 15 129.373 0.300 . 1 . . . . 65 GLU N . 18246 1 309 . 1 1 66 66 ALA H H 1 8.184 0.020 . 1 . . . . 66 ALA H . 18246 1 310 . 1 1 66 66 ALA C C 13 178.674 0.300 . 1 . . . . 66 ALA C . 18246 1 311 . 1 1 66 66 ALA CA C 13 51.877 0.300 . 1 . . . . 66 ALA CA . 18246 1 312 . 1 1 66 66 ALA CB C 13 20.098 0.300 . 1 . . . . 66 ALA CB . 18246 1 313 . 1 1 66 66 ALA N N 15 126.777 0.300 . 1 . . . . 66 ALA N . 18246 1 314 . 1 1 67 67 THR H H 1 8.030 0.020 . 1 . . . . 67 THR H . 18246 1 315 . 1 1 67 67 THR C C 13 173.724 0.300 . 1 . . . . 67 THR C . 18246 1 316 . 1 1 67 67 THR CA C 13 60.633 0.300 . 1 . . . . 67 THR CA . 18246 1 317 . 1 1 67 67 THR CB C 13 71.261 0.300 . 1 . . . . 67 THR CB . 18246 1 318 . 1 1 67 67 THR N N 15 109.970 0.300 . 1 . . . . 67 THR N . 18246 1 319 . 1 1 68 68 SER H H 1 8.389 0.020 . 1 . . . . 68 SER H . 18246 1 320 . 1 1 68 68 SER C C 13 174.754 0.300 . 1 . . . . 68 SER C . 18246 1 321 . 1 1 68 68 SER CA C 13 56.913 0.300 . 1 . . . . 68 SER CA . 18246 1 322 . 1 1 68 68 SER CB C 13 63.639 0.300 . 1 . . . . 68 SER CB . 18246 1 323 . 1 1 68 68 SER N N 15 113.358 0.300 . 1 . . . . 68 SER N . 18246 1 324 . 1 1 69 69 GLN H H 1 8.492 0.020 . 1 . . . . 69 GLN H . 18246 1 325 . 1 1 69 69 GLN C C 13 174.654 0.300 . 1 . . . . 69 GLN C . 18246 1 326 . 1 1 69 69 GLN CA C 13 55.525 0.300 . 1 . . . . 69 GLN CA . 18246 1 327 . 1 1 69 69 GLN CB C 13 30.493 0.300 . 1 . . . . 69 GLN CB . 18246 1 328 . 1 1 69 69 GLN N N 15 123.830 0.300 . 1 . . . . 69 GLN N . 18246 1 329 . 1 1 70 70 GLU H H 1 8.389 0.020 . 1 . . . . 70 GLU H . 18246 1 330 . 1 1 70 70 GLU C C 13 175.355 0.300 . 1 . . . . 70 GLU C . 18246 1 331 . 1 1 70 70 GLU CA C 13 55.124 0.300 . 1 . . . . 70 GLU CA . 18246 1 332 . 1 1 70 70 GLU CB C 13 31.417 0.300 . 1 . . . . 70 GLU CB . 18246 1 333 . 1 1 70 70 GLU N N 15 123.742 0.300 . 1 . . . . 70 GLU N . 18246 1 334 . 1 1 71 71 LEU H H 1 7.971 0.020 . 1 . . . . 71 LEU H . 18246 1 335 . 1 1 71 71 LEU C C 13 173.581 0.300 . 1 . . . . 71 LEU C . 18246 1 336 . 1 1 71 71 LEU CA C 13 54.166 0.300 . 1 . . . . 71 LEU CA . 18246 1 337 . 1 1 71 71 LEU CB C 13 45.275 0.300 . 1 . . . . 71 LEU CB . 18246 1 338 . 1 1 71 71 LEU N N 15 120.662 0.300 . 1 . . . . 71 LEU N . 18246 1 339 . 1 1 72 72 SER H H 1 8.037 0.020 . 1 . . . . 72 SER H . 18246 1 340 . 1 1 72 72 SER C C 13 172.436 0.300 . 1 . . . . 72 SER C . 18246 1 341 . 1 1 72 72 SER CA C 13 57.028 0.300 . 1 . . . . 72 SER CA . 18246 1 342 . 1 1 72 72 SER CB C 13 64.563 0.300 . 1 . . . . 72 SER CB . 18246 1 343 . 1 1 72 72 SER N N 15 118.638 0.300 . 1 . . . . 72 SER N . 18246 1 344 . 1 1 73 73 ILE H H 1 8.053 0.020 . 1 . . . . 73 ILE H . 18246 1 345 . 1 1 73 73 ILE C C 13 174.067 0.300 . 1 . . . . 73 ILE C . 18246 1 346 . 1 1 73 73 ILE CA C 13 61.149 0.300 . 1 . . . . 73 ILE CA . 18246 1 347 . 1 1 73 73 ILE CB C 13 42.663 0.300 . 1 . . . . 73 ILE CB . 18246 1 348 . 1 1 73 73 ILE N N 15 123.184 0.300 . 1 . . . . 73 ILE N . 18246 1 349 . 1 1 74 74 THR H H 1 8.256 0.020 . 1 . . . . 74 THR H . 18246 1 350 . 1 1 74 74 THR C C 13 172.780 0.300 . 1 . . . . 74 THR C . 18246 1 351 . 1 1 74 74 THR CA C 13 62.465 0.300 . 1 . . . . 74 THR CA . 18246 1 352 . 1 1 74 74 THR CB C 13 69.991 0.300 . 1 . . . . 74 THR CB . 18246 1 353 . 1 1 74 74 THR N N 15 124.438 0.300 . 1 . . . . 74 THR N . 18246 1 354 . 1 1 75 75 TYR H H 1 8.287 0.020 . 1 . . . . 75 TYR H . 18246 1 355 . 1 1 75 75 TYR C C 13 175.670 0.300 . 1 . . . . 75 TYR C . 18246 1 356 . 1 1 75 75 TYR CA C 13 55.826 0.300 . 1 . . . . 75 TYR CA . 18246 1 357 . 1 1 75 75 TYR CB C 13 39.286 0.300 . 1 . . . . 75 TYR CB . 18246 1 358 . 1 1 75 75 TYR N N 15 125.194 0.300 . 1 . . . . 75 TYR N . 18246 1 359 . 1 1 76 76 GLY H H 1 8.602 0.020 . 1 . . . . 76 GLY H . 18246 1 360 . 1 1 76 76 GLY C C 13 175.856 0.300 . 1 . . . . 76 GLY C . 18246 1 361 . 1 1 76 76 GLY CA C 13 47.699 0.300 . 1 . . . . 76 GLY CA . 18246 1 362 . 1 1 76 76 GLY N N 15 110.806 0.300 . 1 . . . . 76 GLY N . 18246 1 363 . 1 1 77 77 THR H H 1 7.974 0.020 . 1 . . . . 77 THR H . 18246 1 364 . 1 1 77 77 THR C C 13 174.525 0.300 . 1 . . . . 77 THR C . 18246 1 365 . 1 1 77 77 THR CA C 13 56.971 0.300 . 1 . . . . 77 THR CA . 18246 1 366 . 1 1 77 77 THR CB C 13 70.516 0.300 . 1 . . . . 77 THR CB . 18246 1 367 . 1 1 77 77 THR N N 15 109.977 0.300 . 1 . . . . 77 THR N . 18246 1 368 . 1 1 78 78 GLY H H 1 7.729 0.020 . 1 . . . . 78 GLY H . 18246 1 369 . 1 1 78 78 GLY C C 13 171.692 0.300 . 1 . . . . 78 GLY C . 18246 1 370 . 1 1 78 78 GLY CA C 13 42.387 0.300 . 1 . . . . 78 GLY CA . 18246 1 371 . 1 1 78 78 GLY N N 15 109.398 0.300 . 1 . . . . 78 GLY N . 18246 1 372 . 1 1 79 79 SER H H 1 7.451 0.020 . 1 . . . . 79 SER H . 18246 1 373 . 1 1 79 79 SER C C 13 170.839 0.300 . 1 . . . . 79 SER C . 18246 1 374 . 1 1 79 79 SER CA C 13 57.717 0.300 . 1 . . . . 79 SER CA . 18246 1 375 . 1 1 79 79 SER CB C 13 65.064 0.300 . 1 . . . . 79 SER CB . 18246 1 376 . 1 1 79 79 SER N N 15 110.146 0.300 . 1 . . . . 79 SER N . 18246 1 377 . 1 1 80 80 MET H H 1 8.536 0.020 . 1 . . . . 80 MET H . 18246 1 378 . 1 1 80 80 MET C C 13 175.870 0.300 . 1 . . . . 80 MET C . 18246 1 379 . 1 1 80 80 MET CA C 13 53.690 0.300 . 1 . . . . 80 MET CA . 18246 1 380 . 1 1 80 80 MET CB C 13 31.763 0.300 . 1 . . . . 80 MET CB . 18246 1 381 . 1 1 80 80 MET N N 15 112.258 0.300 . 1 . . . . 80 MET N . 18246 1 382 . 1 1 81 81 THR H H 1 8.375 0.020 . 1 . . . . 81 THR H . 18246 1 383 . 1 1 81 81 THR C C 13 175.867 0.300 . 1 . . . . 81 THR C . 18246 1 384 . 1 1 81 81 THR CA C 13 61.091 0.300 . 1 . . . . 81 THR CA . 18246 1 385 . 1 1 81 81 THR CB C 13 71.608 0.300 . 1 . . . . 81 THR CB . 18246 1 386 . 1 1 81 81 THR N N 15 111.246 0.300 . 1 . . . . 81 THR N . 18246 1 387 . 1 1 82 82 GLY H H 1 8.910 0.020 . 1 . . . . 82 GLY H . 18246 1 388 . 1 1 82 82 GLY C C 13 170.605 0.300 . 1 . . . . 82 GLY C . 18246 1 389 . 1 1 82 82 GLY CA C 13 47.012 0.300 . 1 . . . . 82 GLY CA . 18246 1 390 . 1 1 82 82 GLY N N 15 109.926 0.300 . 1 . . . . 82 GLY N . 18246 1 391 . 1 1 83 83 ILE H H 1 8.360 0.020 . 1 . . . . 83 ILE H . 18246 1 392 . 1 1 83 83 ILE C C 13 173.924 0.300 . 1 . . . . 83 ILE C . 18246 1 393 . 1 1 83 83 ILE CA C 13 58.272 0.300 . 1 . . . . 83 ILE CA . 18246 1 394 . 1 1 83 83 ILE CB C 13 42.388 0.300 . 1 . . . . 83 ILE CB . 18246 1 395 . 1 1 83 83 ILE N N 15 120.551 0.300 . 1 . . . . 83 ILE N . 18246 1 396 . 1 1 84 84 LEU H H 1 7.952 0.020 . 1 . . . . 84 LEU H . 18246 1 397 . 1 1 84 84 LEU C C 13 178.173 0.300 . 1 . . . . 84 LEU C . 18246 1 398 . 1 1 84 84 LEU CA C 13 53.579 0.300 . 1 . . . . 84 LEU CA . 18246 1 399 . 1 1 84 84 LEU CB C 13 42.148 0.300 . 1 . . . . 84 LEU CB . 18246 1 400 . 1 1 84 84 LEU N N 15 123.266 0.300 . 1 . . . . 84 LEU N . 18246 1 401 . 1 1 85 85 GLY H H 1 8.532 0.020 . 1 . . . . 85 GLY H . 18246 1 402 . 1 1 85 85 GLY C C 13 168.430 0.300 . 1 . . . . 85 GLY C . 18246 1 403 . 1 1 85 85 GLY CA C 13 43.807 0.300 . 1 . . . . 85 GLY CA . 18246 1 404 . 1 1 85 85 GLY N N 15 112.374 0.300 . 1 . . . . 85 GLY N . 18246 1 405 . 1 1 86 86 TYR H H 1 8.544 0.020 . 1 . . . . 86 TYR H . 18246 1 406 . 1 1 86 86 TYR C C 13 175.097 0.300 . 1 . . . . 86 TYR C . 18246 1 407 . 1 1 86 86 TYR CA C 13 56.398 0.300 . 1 . . . . 86 TYR CA . 18246 1 408 . 1 1 86 86 TYR CB C 13 42.514 0.300 . 1 . . . . 86 TYR CB . 18246 1 409 . 1 1 86 86 TYR N N 15 116.218 0.300 . 1 . . . . 86 TYR N . 18246 1 410 . 1 1 87 87 ASP H H 1 8.668 0.020 . 1 . . . . 87 ASP H . 18246 1 411 . 1 1 87 87 ASP C C 13 175.290 0.300 . 1 . . . . 87 ASP C . 18246 1 412 . 1 1 87 87 ASP CA C 13 53.078 0.300 . 1 . . . . 87 ASP CA . 18246 1 413 . 1 1 87 87 ASP CB C 13 44.748 0.300 . 1 . . . . 87 ASP CB . 18246 1 414 . 1 1 87 87 ASP N N 15 117.270 0.300 . 1 . . . . 87 ASP N . 18246 1 415 . 1 1 88 88 THR H H 1 11.065 0.020 . 1 . . . . 88 THR H . 18246 1 416 . 1 1 88 88 THR C C 13 174.441 0.300 . 1 . . . . 88 THR C . 18246 1 417 . 1 1 88 88 THR CA C 13 61.972 0.300 . 1 . . . . 88 THR CA . 18246 1 418 . 1 1 88 88 THR CB C 13 69.568 0.300 . 1 . . . . 88 THR CB . 18246 1 419 . 1 1 88 88 THR N N 15 118.481 0.300 . 1 . . . . 88 THR N . 18246 1 420 . 1 1 89 89 VAL H H 1 8.378 0.020 . 1 . . . . 89 VAL H . 18246 1 421 . 1 1 89 89 VAL C C 13 174.153 0.300 . 1 . . . . 89 VAL C . 18246 1 422 . 1 1 89 89 VAL CA C 13 59.686 0.300 . 1 . . . . 89 VAL CA . 18246 1 423 . 1 1 89 89 VAL CB C 13 33.801 0.300 . 1 . . . . 89 VAL CB . 18246 1 424 . 1 1 89 89 VAL N N 15 131.203 0.300 . 1 . . . . 89 VAL N . 18246 1 425 . 1 1 90 90 GLN H H 1 9.911 0.020 . 1 . . . . 90 GLN H . 18246 1 426 . 1 1 90 90 GLN C C 13 175.384 0.300 . 1 . . . . 90 GLN C . 18246 1 427 . 1 1 90 90 GLN CA C 13 54.023 0.300 . 1 . . . . 90 GLN CA . 18246 1 428 . 1 1 90 90 GLN CB C 13 28.460 0.300 . 1 . . . . 90 GLN CB . 18246 1 429 . 1 1 90 90 GLN N N 15 129.911 0.300 . 1 . . . . 90 GLN N . 18246 1 430 . 1 1 91 91 VAL H H 1 8.676 0.020 . 1 . . . . 91 VAL H . 18246 1 431 . 1 1 91 91 VAL C C 13 174.239 0.300 . 1 . . . . 91 VAL C . 18246 1 432 . 1 1 91 91 VAL CA C 13 58.859 0.300 . 1 . . . . 91 VAL CA . 18246 1 433 . 1 1 91 91 VAL CB C 13 32.918 0.300 . 1 . . . . 91 VAL CB . 18246 1 434 . 1 1 91 91 VAL N N 15 123.478 0.300 . 1 . . . . 91 VAL N . 18246 1 435 . 1 1 92 92 GLY H H 1 8.257 0.020 . 1 . . . . 92 GLY H . 18246 1 436 . 1 1 92 92 GLY C C 13 173.867 0.300 . 1 . . . . 92 GLY C . 18246 1 437 . 1 1 92 92 GLY CA C 13 46.955 0.300 . 1 . . . . 92 GLY CA . 18246 1 438 . 1 1 92 92 GLY N N 15 116.658 0.300 . 1 . . . . 92 GLY N . 18246 1 439 . 1 1 93 93 GLY H H 1 8.566 0.020 . 1 . . . . 93 GLY H . 18246 1 440 . 1 1 93 93 GLY C C 13 173.724 0.300 . 1 . . . . 93 GLY C . 18246 1 441 . 1 1 93 93 GLY CA C 13 44.723 0.300 . 1 . . . . 93 GLY CA . 18246 1 442 . 1 1 93 93 GLY N N 15 105.043 0.300 . 1 . . . . 93 GLY N . 18246 1 443 . 1 1 94 94 ILE H H 1 7.982 0.020 . 1 . . . . 94 ILE H . 18246 1 444 . 1 1 94 94 ILE C C 13 174.926 0.300 . 1 . . . . 94 ILE C . 18246 1 445 . 1 1 94 94 ILE CA C 13 60.446 0.300 . 1 . . . . 94 ILE CA . 18246 1 446 . 1 1 94 94 ILE CB C 13 39.343 0.300 . 1 . . . . 94 ILE CB . 18246 1 447 . 1 1 94 94 ILE N N 15 123.733 0.300 . 1 . . . . 94 ILE N . 18246 1 448 . 1 1 95 95 SER H H 1 8.389 0.020 . 1 . . . . 95 SER H . 18246 1 449 . 1 1 95 95 SER C C 13 171.964 0.300 . 1 . . . . 95 SER C . 18246 1 450 . 1 1 95 95 SER CA C 13 57.028 0.300 . 1 . . . . 95 SER CA . 18246 1 451 . 1 1 95 95 SER CB C 13 61.906 0.300 . 1 . . . . 95 SER CB . 18246 1 452 . 1 1 95 95 SER N N 15 121.806 0.300 . 1 . . . . 95 SER N . 18246 1 453 . 1 1 96 96 ASP H H 1 9.057 0.020 . 1 . . . . 96 ASP H . 18246 1 454 . 1 1 96 96 ASP C C 13 174.039 0.300 . 1 . . . . 96 ASP C . 18246 1 455 . 1 1 96 96 ASP CA C 13 51.076 0.300 . 1 . . . . 96 ASP CA . 18246 1 456 . 1 1 96 96 ASP CB C 13 36.267 0.300 . 1 . . . . 96 ASP CB . 18246 1 457 . 1 1 96 96 ASP N N 15 126.382 0.300 . 1 . . . . 96 ASP N . 18246 1 458 . 1 1 97 97 THR H H 1 7.011 0.020 . 1 . . . . 97 THR H . 18246 1 459 . 1 1 97 97 THR C C 13 174.139 0.300 . 1 . . . . 97 THR C . 18246 1 460 . 1 1 97 97 THR CA C 13 60.977 0.300 . 1 . . . . 97 THR CA . 18246 1 461 . 1 1 97 97 THR CB C 13 69.875 0.300 . 1 . . . . 97 THR CB . 18246 1 462 . 1 1 97 97 THR N N 15 114.546 0.300 . 1 . . . . 97 THR N . 18246 1 463 . 1 1 98 98 ASN H H 1 9.343 0.020 . 1 . . . . 98 ASN H . 18246 1 464 . 1 1 98 98 ASN C C 13 173.924 0.300 . 1 . . . . 98 ASN C . 18246 1 465 . 1 1 98 98 ASN CA C 13 53.574 0.300 . 1 . . . . 98 ASN CA . 18246 1 466 . 1 1 98 98 ASN CB C 13 37.422 0.300 . 1 . . . . 98 ASN CB . 18246 1 467 . 1 1 98 98 ASN N N 15 116.218 0.300 . 1 . . . . 98 ASN N . 18246 1 468 . 1 1 99 99 GLN H H 1 8.377 0.020 . 1 . . . . 99 GLN H . 18246 1 469 . 1 1 99 99 GLN C C 13 173.953 0.300 . 1 . . . . 99 GLN C . 18246 1 470 . 1 1 99 99 GLN CA C 13 53.865 0.300 . 1 . . . . 99 GLN CA . 18246 1 471 . 1 1 99 99 GLN CB C 13 29.800 0.300 . 1 . . . . 99 GLN CB . 18246 1 472 . 1 1 99 99 GLN N N 15 120.561 0.300 . 1 . . . . 99 GLN N . 18246 1 473 . 1 1 100 100 ILE H H 1 8.404 0.020 . 1 . . . . 100 ILE H . 18246 1 474 . 1 1 100 100 ILE C C 13 176.471 0.300 . 1 . . . . 100 ILE C . 18246 1 475 . 1 1 100 100 ILE CA C 13 59.432 0.300 . 1 . . . . 100 ILE CA . 18246 1 476 . 1 1 100 100 ILE CB C 13 37.998 0.300 . 1 . . . . 100 ILE CB . 18246 1 477 . 1 1 100 100 ILE N N 15 130.918 0.300 . 1 . . . . 100 ILE N . 18246 1 478 . 1 1 101 101 PHE H H 1 9.565 0.020 . 1 . . . . 101 PHE H . 18246 1 479 . 1 1 101 101 PHE C C 13 171.606 0.300 . 1 . . . . 101 PHE C . 18246 1 480 . 1 1 101 101 PHE CA C 13 55.940 0.300 . 1 . . . . 101 PHE CA . 18246 1 481 . 1 1 101 101 PHE CB C 13 40.771 0.300 . 1 . . . . 101 PHE CB . 18246 1 482 . 1 1 101 101 PHE N N 15 127.319 0.300 . 1 . . . . 101 PHE N . 18246 1 483 . 1 1 102 102 GLY H H 1 9.314 0.020 . 1 . . . . 102 GLY H . 18246 1 484 . 1 1 102 102 GLY C C 13 169.950 0.300 . 1 . . . . 102 GLY C . 18246 1 485 . 1 1 102 102 GLY CA C 13 44.782 0.300 . 1 . . . . 102 GLY CA . 18246 1 486 . 1 1 102 102 GLY N N 15 106.011 0.300 . 1 . . . . 102 GLY N . 18246 1 487 . 1 1 103 103 LEU H H 1 9.165 0.020 . 1 . . . . 103 LEU H . 18246 1 488 . 1 1 103 103 LEU C C 13 177.881 0.300 . 1 . . . . 103 LEU C . 18246 1 489 . 1 1 103 103 LEU CA C 13 54.681 0.300 . 1 . . . . 103 LEU CA . 18246 1 490 . 1 1 103 103 LEU CB C 13 40.602 0.300 . 1 . . . . 103 LEU CB . 18246 1 491 . 1 1 103 103 LEU N N 15 127.106 0.300 . 1 . . . . 103 LEU N . 18246 1 492 . 1 1 104 104 SER H H 1 9.057 0.020 . 1 . . . . 104 SER H . 18246 1 493 . 1 1 104 104 SER C C 13 173.409 0.300 . 1 . . . . 104 SER C . 18246 1 494 . 1 1 104 104 SER CA C 13 59.718 0.300 . 1 . . . . 104 SER CA . 18246 1 495 . 1 1 104 104 SER CB C 13 63.639 0.300 . 1 . . . . 104 SER CB . 18246 1 496 . 1 1 104 104 SER N N 15 118.814 0.300 . 1 . . . . 104 SER N . 18246 1 497 . 1 1 105 105 GLU H H 1 9.915 0.020 . 1 . . . . 105 GLU H . 18246 1 498 . 1 1 105 105 GLU C C 13 175.867 0.300 . 1 . . . . 105 GLU C . 18246 1 499 . 1 1 105 105 GLU CA C 13 56.627 0.300 . 1 . . . . 105 GLU CA . 18246 1 500 . 1 1 105 105 GLU CB C 13 31.372 0.300 . 1 . . . . 105 GLU CB . 18246 1 501 . 1 1 105 105 GLU N N 15 119.518 0.300 . 1 . . . . 105 GLU N . 18246 1 502 . 1 1 106 106 THR H H 1 7.803 0.020 . 1 . . . . 106 THR H . 18246 1 503 . 1 1 106 106 THR C C 13 173.524 0.300 . 1 . . . . 106 THR C . 18246 1 504 . 1 1 106 106 THR CA C 13 60.633 0.300 . 1 . . . . 106 THR CA . 18246 1 505 . 1 1 106 106 THR CB C 13 72.069 0.300 . 1 . . . . 106 THR CB . 18246 1 506 . 1 1 106 106 THR N N 15 109.398 0.300 . 1 . . . . 106 THR N . 18246 1 507 . 1 1 107 107 GLU H H 1 8.250 0.020 . 1 . . . . 107 GLU H . 18246 1 508 . 1 1 107 107 GLU C C 13 171.921 0.300 . 1 . . . . 107 GLU C . 18246 1 509 . 1 1 107 107 GLU CA C 13 53.193 0.300 . 1 . . . . 107 GLU CA . 18246 1 510 . 1 1 107 107 GLU CB C 13 32.109 0.300 . 1 . . . . 107 GLU CB . 18246 1 511 . 1 1 107 107 GLU N N 15 119.826 0.300 . 1 . . . . 107 GLU N . 18246 1 512 . 1 1 108 108 PRO C C 13 177.973 0.300 . 1 . . . . 108 PRO C . 18246 1 513 . 1 1 108 108 PRO CA C 13 63.365 0.300 . 1 . . . . 108 PRO CA . 18246 1 514 . 1 1 108 108 PRO CB C 13 32.431 0.300 . 1 . . . . 108 PRO CB . 18246 1 515 . 1 1 109 109 GLY H H 1 8.265 0.020 . 1 . . . . 109 GLY H . 18246 1 516 . 1 1 109 109 GLY C C 13 174.954 0.300 . 1 . . . . 109 GLY C . 18246 1 517 . 1 1 109 109 GLY CA C 13 44.723 0.300 . 1 . . . . 109 GLY CA . 18246 1 518 . 1 1 109 109 GLY N N 15 108.871 0.300 . 1 . . . . 109 GLY N . 18246 1 519 . 1 1 110 110 SER H H 1 8.463 0.020 . 1 . . . . 110 SER H . 18246 1 520 . 1 1 110 110 SER C C 13 175.997 0.300 . 1 . . . . 110 SER C . 18246 1 521 . 1 1 110 110 SER CA C 13 59.661 0.300 . 1 . . . . 110 SER CA . 18246 1 522 . 1 1 110 110 SER CB C 13 63.754 0.300 . 1 . . . . 110 SER CB . 18246 1 523 . 1 1 110 110 SER N N 15 114.502 0.300 . 1 . . . . 110 SER N . 18246 1 524 . 1 1 111 111 PHE H H 1 8.365 0.020 . 1 . . . . 111 PHE H . 18246 1 525 . 1 1 111 111 PHE C C 13 178.760 0.300 . 1 . . . . 111 PHE C . 18246 1 526 . 1 1 111 111 PHE CA C 13 62.236 0.300 . 1 . . . . 111 PHE CA . 18246 1 527 . 1 1 111 111 PHE CB C 13 38.231 0.300 . 1 . . . . 111 PHE CB . 18246 1 528 . 1 1 111 111 PHE N N 15 126.023 0.300 . 1 . . . . 111 PHE N . 18246 1 529 . 1 1 112 112 LEU H H 1 9.116 0.020 . 1 . . . . 112 LEU H . 18246 1 530 . 1 1 112 112 LEU C C 13 179.175 0.300 . 1 . . . . 112 LEU C . 18246 1 531 . 1 1 112 112 LEU CA C 13 56.284 0.300 . 1 . . . . 112 LEU CA . 18246 1 532 . 1 1 112 112 LEU CB C 13 39.963 0.300 . 1 . . . . 112 LEU CB . 18246 1 533 . 1 1 112 112 LEU N N 15 117.010 0.300 . 1 . . . . 112 LEU N . 18246 1 534 . 1 1 113 113 TYR H H 1 7.025 0.020 . 1 . . . . 113 TYR H . 18246 1 535 . 1 1 113 113 TYR C C 13 177.301 0.300 . 1 . . . . 113 TYR C . 18246 1 536 . 1 1 113 113 TYR CA C 13 60.347 0.300 . 1 . . . . 113 TYR CA . 18246 1 537 . 1 1 113 113 TYR CB C 13 37.884 0.300 . 1 . . . . 113 TYR CB . 18246 1 538 . 1 1 113 113 TYR N N 15 120.310 0.300 . 1 . . . . 113 TYR N . 18246 1 539 . 1 1 114 114 TYR H H 1 7.231 0.020 . 1 . . . . 114 TYR H . 18246 1 540 . 1 1 114 114 TYR C C 13 175.012 0.300 . 1 . . . . 114 TYR C . 18246 1 541 . 1 1 114 114 TYR CA C 13 58.745 0.300 . 1 . . . . 114 TYR CA . 18246 1 542 . 1 1 114 114 TYR CB C 13 38.115 0.300 . 1 . . . . 114 TYR CB . 18246 1 543 . 1 1 114 114 TYR N N 15 117.670 0.300 . 1 . . . . 114 TYR N . 18246 1 544 . 1 1 115 115 ALA H H 1 6.657 0.020 . 1 . . . . 115 ALA H . 18246 1 545 . 1 1 115 115 ALA C C 13 176.843 0.300 . 1 . . . . 115 ALA C . 18246 1 546 . 1 1 115 115 ALA CA C 13 49.515 0.300 . 1 . . . . 115 ALA CA . 18246 1 547 . 1 1 115 115 ALA CB C 13 16.980 0.300 . 1 . . . . 115 ALA CB . 18246 1 548 . 1 1 115 115 ALA N N 15 124.193 0.300 . 1 . . . . 115 ALA N . 18246 1 549 . 1 1 117 117 PHE C C 13 171.749 0.300 . 1 . . . . 117 PHE C . 18246 1 550 . 1 1 117 117 PHE CA C 13 52.679 0.300 . 1 . . . . 117 PHE CA . 18246 1 551 . 1 1 117 117 PHE CB C 13 39.047 0.300 . 1 . . . . 117 PHE CB . 18246 1 552 . 1 1 118 118 ASP H H 1 8.201 0.020 . 1 . . . . 118 ASP H . 18246 1 553 . 1 1 118 118 ASP C C 13 175.741 0.300 . 1 . . . . 118 ASP C . 18246 1 554 . 1 1 118 118 ASP CA C 13 56.555 0.300 . 1 . . . . 118 ASP CA . 18246 1 555 . 1 1 118 118 ASP CB C 13 43.308 0.300 . 1 . . . . 118 ASP CB . 18246 1 556 . 1 1 118 118 ASP N N 15 118.419 0.300 . 1 . . . . 118 ASP N . 18246 1 557 . 1 1 119 119 GLY H H 1 7.693 0.020 . 1 . . . . 119 GLY H . 18246 1 558 . 1 1 119 119 GLY C C 13 171.520 0.300 . 1 . . . . 119 GLY C . 18246 1 559 . 1 1 119 119 GLY CA C 13 43.578 0.300 . 1 . . . . 119 GLY CA . 18246 1 560 . 1 1 119 119 GLY N N 15 102.227 0.300 . 1 . . . . 119 GLY N . 18246 1 561 . 1 1 120 120 ILE H H 1 5.984 0.020 . 1 . . . . 120 ILE H . 18246 1 562 . 1 1 120 120 ILE C C 13 170.991 0.300 . 1 . . . . 120 ILE C . 18246 1 563 . 1 1 120 120 ILE CA C 13 60.405 0.300 . 1 . . . . 120 ILE CA . 18246 1 564 . 1 1 120 120 ILE CB C 13 42.196 0.300 . 1 . . . . 120 ILE CB . 18246 1 565 . 1 1 120 120 ILE N N 15 116.306 0.300 . 1 . . . . 120 ILE N . 18246 1 566 . 1 1 121 121 LEU H H 1 8.456 0.020 . 1 . . . . 121 LEU H . 18246 1 567 . 1 1 121 121 LEU C C 13 174.439 0.300 . 1 . . . . 121 LEU C . 18246 1 568 . 1 1 121 121 LEU CA C 13 55.285 0.300 . 1 . . . . 121 LEU CA . 18246 1 569 . 1 1 121 121 LEU CB C 13 43.308 0.300 . 1 . . . . 121 LEU CB . 18246 1 570 . 1 1 121 121 LEU N N 15 128.273 0.300 . 1 . . . . 121 LEU N . 18246 1 571 . 1 1 122 122 GLY H H 1 7.269 0.020 . 1 . . . . 122 GLY H . 18246 1 572 . 1 1 122 122 GLY C C 13 174.550 0.300 . 1 . . . . 122 GLY C . 18246 1 573 . 1 1 122 122 GLY CA C 13 46.326 0.300 . 1 . . . . 122 GLY CA . 18246 1 574 . 1 1 122 122 GLY N N 15 114.149 0.300 . 1 . . . . 122 GLY N . 18246 1 575 . 1 1 123 123 LEU H H 1 8.345 0.020 . 1 . . . . 123 LEU H . 18246 1 576 . 1 1 123 123 LEU C C 13 175.932 0.300 . 1 . . . . 123 LEU C . 18246 1 577 . 1 1 123 123 LEU CA C 13 54.796 0.300 . 1 . . . . 123 LEU CA . 18246 1 578 . 1 1 123 123 LEU CB C 13 43.750 0.300 . 1 . . . . 123 LEU CB . 18246 1 579 . 1 1 123 123 LEU N N 15 127.877 0.300 . 1 . . . . 123 LEU N . 18246 1 580 . 1 1 124 124 ALA H H 1 8.588 0.020 . 1 . . . . 124 ALA H . 18246 1 581 . 1 1 124 124 ALA C C 13 175.069 0.300 . 1 . . . . 124 ALA C . 18246 1 582 . 1 1 124 124 ALA CA C 13 51.591 0.300 . 1 . . . . 124 ALA CA . 18246 1 583 . 1 1 124 124 ALA CB C 13 15.825 0.300 . 1 . . . . 124 ALA CB . 18246 1 584 . 1 1 124 124 ALA N N 15 126.909 0.300 . 1 . . . . 124 ALA N . 18246 1 585 . 1 1 125 125 TYR H H 1 7.825 0.020 . 1 . . . . 125 TYR H . 18246 1 586 . 1 1 125 125 TYR C C 13 177.616 0.300 . 1 . . . . 125 TYR C . 18246 1 587 . 1 1 125 125 TYR CA C 13 59.031 0.300 . 1 . . . . 125 TYR CA . 18246 1 588 . 1 1 125 125 TYR CB C 13 36.267 0.300 . 1 . . . . 125 TYR CB . 18246 1 589 . 1 1 125 125 TYR N N 15 113.490 0.300 . 1 . . . . 125 TYR N . 18246 1 590 . 1 1 126 126 PRO C C 13 178.191 0.300 . 1 . . . . 126 PRO C . 18246 1 591 . 1 1 126 126 PRO CA C 13 64.911 0.300 . 1 . . . . 126 PRO CA . 18246 1 592 . 1 1 126 126 PRO CB C 13 31.104 0.300 . 1 . . . . 126 PRO CB . 18246 1 593 . 1 1 127 127 SER H H 1 7.436 0.020 . 1 . . . . 127 SER H . 18246 1 594 . 1 1 127 127 SER C C 13 176.199 0.300 . 1 . . . . 127 SER C . 18246 1 595 . 1 1 127 127 SER CA C 13 60.176 0.300 . 1 . . . . 127 SER CA . 18246 1 596 . 1 1 127 127 SER CB C 13 61.503 0.300 . 1 . . . . 127 SER CB . 18246 1 597 . 1 1 127 127 SER N N 15 111.763 0.300 . 1 . . . . 127 SER N . 18246 1 598 . 1 1 128 128 ILE H H 1 6.351 0.020 . 1 . . . . 128 ILE H . 18246 1 599 . 1 1 128 128 ILE C C 13 176.385 0.300 . 1 . . . . 128 ILE C . 18246 1 600 . 1 1 128 128 ILE CA C 13 60.561 0.300 . 1 . . . . 128 ILE CA . 18246 1 601 . 1 1 128 128 ILE CB C 13 37.076 0.300 . 1 . . . . 128 ILE CB . 18246 1 602 . 1 1 128 128 ILE N N 15 111.510 0.300 . 1 . . . . 128 ILE N . 18246 1 603 . 1 1 129 129 SER H H 1 7.334 0.020 . 1 . . . . 129 SER H . 18246 1 604 . 1 1 129 129 SER C C 13 176.679 0.300 . 1 . . . . 129 SER C . 18246 1 605 . 1 1 129 129 SER CA C 13 57.806 0.300 . 1 . . . . 129 SER CA . 18246 1 606 . 1 1 129 129 SER CB C 13 63.807 0.300 . 1 . . . . 129 SER CB . 18246 1 607 . 1 1 129 129 SER N N 15 118.281 0.300 . 1 . . . . 129 SER N . 18246 1 608 . 1 1 130 130 ALA H H 1 9.570 0.020 . 1 . . . . 130 ALA H . 18246 1 609 . 1 1 130 130 ALA C C 13 179.359 0.300 . 1 . . . . 130 ALA C . 18246 1 610 . 1 1 130 130 ALA CA C 13 53.442 0.300 . 1 . . . . 130 ALA CA . 18246 1 611 . 1 1 130 130 ALA CB C 13 18.548 0.300 . 1 . . . . 130 ALA CB . 18246 1 612 . 1 1 130 130 ALA N N 15 137.909 0.300 . 1 . . . . 130 ALA N . 18246 1 613 . 1 1 131 131 SER H H 1 8.976 0.020 . 1 . . . . 131 SER H . 18246 1 614 . 1 1 131 131 SER C C 13 173.464 0.300 . 1 . . . . 131 SER C . 18246 1 615 . 1 1 131 131 SER CA C 13 59.138 0.300 . 1 . . . . 131 SER CA . 18246 1 616 . 1 1 131 131 SER CB C 13 61.906 0.300 . 1 . . . . 131 SER CB . 18246 1 617 . 1 1 131 131 SER N N 15 113.446 0.300 . 1 . . . . 131 SER N . 18246 1 618 . 1 1 132 132 GLY H H 1 7.788 0.020 . 1 . . . . 132 GLY H . 18246 1 619 . 1 1 132 132 GLY C C 13 174.382 0.300 . 1 . . . . 132 GLY C . 18246 1 620 . 1 1 132 132 GLY CA C 13 45.696 0.300 . 1 . . . . 132 GLY CA . 18246 1 621 . 1 1 132 132 GLY N N 15 106.891 0.300 . 1 . . . . 132 GLY N . 18246 1 622 . 1 1 133 133 ALA H H 1 6.585 0.020 . 1 . . . . 133 ALA H . 18246 1 623 . 1 1 133 133 ALA C C 13 178.245 0.300 . 1 . . . . 133 ALA C . 18246 1 624 . 1 1 133 133 ALA CA C 13 51.648 0.300 . 1 . . . . 133 ALA CA . 18246 1 625 . 1 1 133 133 ALA CB C 13 18.481 0.300 . 1 . . . . 133 ALA CB . 18246 1 626 . 1 1 133 133 ALA N N 15 122.774 0.300 . 1 . . . . 133 ALA N . 18246 1 627 . 1 1 134 134 THR H H 1 7.627 0.020 . 1 . . . . 134 THR H . 18246 1 628 . 1 1 134 134 THR C C 13 172.636 0.300 . 1 . . . . 134 THR C . 18246 1 629 . 1 1 134 134 THR CA C 13 62.293 0.300 . 1 . . . . 134 THR CA . 18246 1 630 . 1 1 134 134 THR CB C 13 70.077 0.300 . 1 . . . . 134 THR CB . 18246 1 631 . 1 1 134 134 THR N N 15 124.710 0.300 . 1 . . . . 134 THR N . 18246 1 632 . 1 1 135 135 PRO C C 13 176.500 0.300 . 1 . . . . 135 PRO C . 18246 1 633 . 1 1 135 135 PRO CA C 13 61.511 0.300 . 1 . . . . 135 PRO CA . 18246 1 634 . 1 1 135 135 PRO CB C 13 34.735 0.300 . 1 . . . . 135 PRO CB . 18246 1 635 . 1 1 136 136 VAL H H 1 8.685 0.020 . 1 . . . . 136 VAL H . 18246 1 636 . 1 1 136 136 VAL C C 13 177.523 0.300 . 1 . . . . 136 VAL C . 18246 1 637 . 1 1 136 136 VAL CA C 13 64.453 0.300 . 1 . . . . 136 VAL CA . 18246 1 638 . 1 1 136 136 VAL CB C 13 32.547 0.300 . 1 . . . . 136 VAL CB . 18246 1 639 . 1 1 136 136 VAL N N 15 123.402 0.300 . 1 . . . . 136 VAL N . 18246 1 640 . 1 1 137 137 PHE H H 1 10.524 0.020 . 1 . . . . 137 PHE H . 18246 1 641 . 1 1 137 137 PHE C C 13 176.900 0.300 . 1 . . . . 137 PHE C . 18246 1 642 . 1 1 137 137 PHE CA C 13 63.251 0.300 . 1 . . . . 137 PHE CA . 18246 1 643 . 1 1 137 137 PHE CB C 13 38.923 0.300 . 1 . . . . 137 PHE CB . 18246 1 644 . 1 1 137 137 PHE N N 15 120.970 0.300 . 1 . . . . 137 PHE N . 18246 1 645 . 1 1 138 138 ASP H H 1 6.930 0.020 . 1 . . . . 138 ASP H . 18246 1 646 . 1 1 138 138 ASP C C 13 176.881 0.300 . 1 . . . . 138 ASP C . 18246 1 647 . 1 1 138 138 ASP CA C 13 57.257 0.300 . 1 . . . . 138 ASP CA . 18246 1 648 . 1 1 138 138 ASP CB C 13 40.887 0.300 . 1 . . . . 138 ASP CB . 18246 1 649 . 1 1 138 138 ASP N N 15 115.998 0.300 . 1 . . . . 138 ASP N . 18246 1 650 . 1 1 139 139 ASN H H 1 7.839 0.020 . 1 . . . . 139 ASN H . 18246 1 651 . 1 1 139 139 ASN C C 13 179.333 0.300 . 1 . . . . 139 ASN C . 18246 1 652 . 1 1 139 139 ASN CA C 13 56.284 0.300 . 1 . . . . 139 ASN CA . 18246 1 653 . 1 1 139 139 ASN CB C 13 40.078 0.300 . 1 . . . . 139 ASN CB . 18246 1 654 . 1 1 139 139 ASN N N 15 119.430 0.300 . 1 . . . . 139 ASN N . 18246 1 655 . 1 1 140 140 LEU H H 1 8.257 0.020 . 1 . . . . 140 LEU H . 18246 1 656 . 1 1 140 140 LEU C C 13 179.042 0.300 . 1 . . . . 140 LEU C . 18246 1 657 . 1 1 140 140 LEU CA C 13 57.600 0.300 . 1 . . . . 140 LEU CA . 18246 1 658 . 1 1 140 140 LEU CB C 13 41.581 0.300 . 1 . . . . 140 LEU CB . 18246 1 659 . 1 1 140 140 LEU N N 15 118.462 0.300 . 1 . . . . 140 LEU N . 18246 1 660 . 1 1 141 141 TRP H H 1 8.040 0.020 . 1 . . . . 141 TRP H . 18246 1 661 . 1 1 141 141 TRP C C 13 180.048 0.300 . 1 . . . . 141 TRP C . 18246 1 662 . 1 1 141 141 TRP CA C 13 59.088 0.300 . 1 . . . . 141 TRP CA . 18246 1 663 . 1 1 141 141 TRP CB C 13 28.876 0.300 . 1 . . . . 141 TRP CB . 18246 1 664 . 1 1 141 141 TRP N N 15 120.933 0.300 . 1 . . . . 141 TRP N . 18246 1 665 . 1 1 142 142 ASP H H 1 8.932 0.020 . 1 . . . . 142 ASP H . 18246 1 666 . 1 1 142 142 ASP C C 13 177.902 0.300 . 1 . . . . 142 ASP C . 18246 1 667 . 1 1 142 142 ASP CA C 13 56.284 0.300 . 1 . . . . 142 ASP CA . 18246 1 668 . 1 1 142 142 ASP CB C 13 39.385 0.300 . 1 . . . . 142 ASP CB . 18246 1 669 . 1 1 142 142 ASP N N 15 120.354 0.300 . 1 . . . . 142 ASP N . 18246 1 670 . 1 1 143 143 GLN H H 1 6.923 0.020 . 1 . . . . 143 GLN H . 18246 1 671 . 1 1 143 143 GLN C C 13 175.698 0.300 . 1 . . . . 143 GLN C . 18246 1 672 . 1 1 143 143 GLN CA C 13 55.654 0.300 . 1 . . . . 143 GLN CA . 18246 1 673 . 1 1 143 143 GLN CB C 13 31.532 0.300 . 1 . . . . 143 GLN CB . 18246 1 674 . 1 1 143 143 GLN N N 15 113.622 0.300 . 1 . . . . 143 GLN N . 18246 1 675 . 1 1 144 144 GLY H H 1 7.663 0.020 . 1 . . . . 144 GLY H . 18246 1 676 . 1 1 144 144 GLY C C 13 175.956 0.300 . 1 . . . . 144 GLY C . 18246 1 677 . 1 1 144 144 GLY CA C 13 46.209 0.300 . 1 . . . . 144 GLY CA . 18246 1 678 . 1 1 144 144 GLY N N 15 110.146 0.300 . 1 . . . . 144 GLY N . 18246 1 679 . 1 1 145 145 LEU H H 1 7.920 0.020 . 1 . . . . 145 LEU H . 18246 1 680 . 1 1 145 145 LEU C C 13 176.614 0.300 . 1 . . . . 145 LEU C . 18246 1 681 . 1 1 145 145 LEU CA C 13 54.910 0.300 . 1 . . . . 145 LEU CA . 18246 1 682 . 1 1 145 145 LEU CB C 13 42.388 0.300 . 1 . . . . 145 LEU CB . 18246 1 683 . 1 1 145 145 LEU N N 15 116.218 0.300 . 1 . . . . 145 LEU N . 18246 1 684 . 1 1 146 146 VAL H H 1 6.813 0.020 . 1 . . . . 146 VAL H . 18246 1 685 . 1 1 146 146 VAL C C 13 176.070 0.300 . 1 . . . . 146 VAL C . 18246 1 686 . 1 1 146 146 VAL CA C 13 58.459 0.300 . 1 . . . . 146 VAL CA . 18246 1 687 . 1 1 146 146 VAL CB C 13 35.343 0.300 . 1 . . . . 146 VAL CB . 18246 1 688 . 1 1 146 146 VAL N N 15 107.111 0.300 . 1 . . . . 146 VAL N . 18246 1 689 . 1 1 147 147 SER H H 1 8.910 0.020 . 1 . . . . 147 SER H . 18246 1 690 . 1 1 147 147 SER C C 13 174.471 0.300 . 1 . . . . 147 SER C . 18246 1 691 . 1 1 147 147 SER CA C 13 60.666 0.300 . 1 . . . . 147 SER CA . 18246 1 692 . 1 1 147 147 SER CB C 13 63.754 0.300 . 1 . . . . 147 SER CB . 18246 1 693 . 1 1 147 147 SER N N 15 116.262 0.300 . 1 . . . . 147 SER N . 18246 1 694 . 1 1 148 148 GLN H H 1 7.326 0.020 . 1 . . . . 148 GLN H . 18246 1 695 . 1 1 148 148 GLN C C 13 174.869 0.300 . 1 . . . . 148 GLN C . 18246 1 696 . 1 1 148 148 GLN CA C 13 54.224 0.300 . 1 . . . . 148 GLN CA . 18246 1 697 . 1 1 148 148 GLN CB C 13 33.149 0.300 . 1 . . . . 148 GLN CB . 18246 1 698 . 1 1 148 148 GLN N N 15 116.746 0.300 . 1 . . . . 148 GLN N . 18246 1 699 . 1 1 149 149 ASP H H 1 8.680 0.020 . 1 . . . . 149 ASP H . 18246 1 700 . 1 1 149 149 ASP C C 13 173.380 0.300 . 1 . . . . 149 ASP C . 18246 1 701 . 1 1 149 149 ASP CA C 13 50.946 0.300 . 1 . . . . 149 ASP CA . 18246 1 702 . 1 1 149 149 ASP CB C 13 33.980 0.300 . 1 . . . . 149 ASP CB . 18246 1 703 . 1 1 149 149 ASP N N 15 125.595 0.300 . 1 . . . . 149 ASP N . 18246 1 704 . 1 1 150 150 LEU H H 1 8.404 0.020 . 1 . . . . 150 LEU H . 18246 1 705 . 1 1 150 150 LEU CA C 13 53.251 0.300 . 1 . . . . 150 LEU CA . 18246 1 706 . 1 1 150 150 LEU CB C 13 44.581 0.300 . 1 . . . . 150 LEU CB . 18246 1 707 . 1 1 150 150 LEU N N 15 116.306 0.300 . 1 . . . . 150 LEU N . 18246 1 708 . 1 1 151 151 PHE C C 13 172.078 0.300 . 1 . . . . 151 PHE C . 18246 1 709 . 1 1 151 151 PHE CA C 13 55.754 0.300 . 1 . . . . 151 PHE CA . 18246 1 710 . 1 1 151 151 PHE CB C 13 42.450 0.300 . 1 . . . . 151 PHE CB . 18246 1 711 . 1 1 152 152 SER H H 1 9.057 0.020 . 1 . . . . 152 SER H . 18246 1 712 . 1 1 152 152 SER C C 13 172.393 0.300 . 1 . . . . 152 SER C . 18246 1 713 . 1 1 152 152 SER CA C 13 56.398 0.300 . 1 . . . . 152 SER CA . 18246 1 714 . 1 1 152 152 SER CB C 13 66.988 0.300 . 1 . . . . 152 SER CB . 18246 1 715 . 1 1 152 152 SER N N 15 114.678 0.300 . 1 . . . . 152 SER N . 18246 1 716 . 1 1 153 153 VAL H H 1 8.748 0.020 . 1 . . . . 153 VAL H . 18246 1 717 . 1 1 153 153 VAL C C 13 172.133 0.300 . 1 . . . . 153 VAL C . 18246 1 718 . 1 1 153 153 VAL CA C 13 61.206 0.300 . 1 . . . . 153 VAL CA . 18246 1 719 . 1 1 153 153 VAL CB C 13 35.477 0.300 . 1 . . . . 153 VAL CB . 18246 1 720 . 1 1 153 153 VAL N N 15 121.190 0.300 . 1 . . . . 153 VAL N . 18246 1 721 . 1 1 154 154 TYR H H 1 8.169 0.020 . 1 . . . . 154 TYR H . 18246 1 722 . 1 1 154 154 TYR C C 13 173.367 0.300 . 1 . . . . 154 TYR C . 18246 1 723 . 1 1 154 154 TYR CA C 13 54.452 0.300 . 1 . . . . 154 TYR CA . 18246 1 724 . 1 1 154 154 TYR CB C 13 41.184 0.300 . 1 . . . . 154 TYR CB . 18246 1 725 . 1 1 154 154 TYR N N 15 126.162 0.300 . 1 . . . . 154 TYR N . 18246 1 726 . 1 1 155 155 LEU H H 1 8.225 0.020 . 1 . . . . 155 LEU H . 18246 1 727 . 1 1 155 155 LEU C C 13 174.179 0.300 . 1 . . . . 155 LEU C . 18246 1 728 . 1 1 155 155 LEU CA C 13 51.289 0.300 . 1 . . . . 155 LEU CA . 18246 1 729 . 1 1 155 155 LEU CB C 13 41.118 0.300 . 1 . . . . 155 LEU CB . 18246 1 730 . 1 1 155 155 LEU N N 15 126.255 0.300 . 1 . . . . 155 LEU N . 18246 1 731 . 1 1 156 156 SER H H 1 8.962 0.020 . 1 . . . . 156 SER H . 18246 1 732 . 1 1 156 156 SER C C 13 173.121 0.300 . 1 . . . . 156 SER C . 18246 1 733 . 1 1 156 156 SER CA C 13 56.856 0.300 . 1 . . . . 156 SER CA . 18246 1 734 . 1 1 156 156 SER CB C 13 65.371 0.300 . 1 . . . . 156 SER CB . 18246 1 735 . 1 1 156 156 SER N N 15 118.682 0.300 . 1 . . . . 156 SER N . 18246 1 736 . 1 1 157 157 SER H H 1 8.668 0.020 . 1 . . . . 157 SER H . 18246 1 737 . 1 1 157 157 SER C C 13 173.270 0.300 . 1 . . . . 157 SER C . 18246 1 738 . 1 1 157 157 SER CA C 13 57.486 0.300 . 1 . . . . 157 SER CA . 18246 1 739 . 1 1 157 157 SER CB C 13 65.948 0.300 . 1 . . . . 157 SER CB . 18246 1 740 . 1 1 157 157 SER N N 15 114.942 0.300 . 1 . . . . 157 SER N . 18246 1 741 . 1 1 158 158 ASN H H 1 8.968 0.020 . 1 . . . . 158 ASN H . 18246 1 742 . 1 1 158 158 ASN C C 13 174.179 0.300 . 1 . . . . 158 ASN C . 18246 1 743 . 1 1 158 158 ASN CA C 13 54.383 0.300 . 1 . . . . 158 ASN CA . 18246 1 744 . 1 1 158 158 ASN CB C 13 37.320 0.300 . 1 . . . . 158 ASN CB . 18246 1 745 . 1 1 158 158 ASN N N 15 118.907 0.300 . 1 . . . . 158 ASN N . 18246 1 746 . 1 1 159 159 ASP H H 1 8.362 0.020 . 1 . . . . 159 ASP H . 18246 1 747 . 1 1 159 159 ASP C C 13 175.315 0.300 . 1 . . . . 159 ASP C . 18246 1 748 . 1 1 159 159 ASP CA C 13 53.979 0.300 . 1 . . . . 159 ASP CA . 18246 1 749 . 1 1 159 159 ASP CB C 13 36.730 0.300 . 1 . . . . 159 ASP CB . 18246 1 750 . 1 1 159 159 ASP N N 15 110.801 0.300 . 1 . . . . 159 ASP N . 18246 1 751 . 1 1 160 160 ASP H H 1 7.699 0.020 . 1 . . . . 160 ASP H . 18246 1 752 . 1 1 160 160 ASP C C 13 178.646 0.300 . 1 . . . . 160 ASP C . 18246 1 753 . 1 1 160 160 ASP CA C 13 54.380 0.300 . 1 . . . . 160 ASP CA . 18246 1 754 . 1 1 160 160 ASP CB C 13 41.465 0.300 . 1 . . . . 160 ASP CB . 18246 1 755 . 1 1 160 160 ASP N N 15 120.305 0.300 . 1 . . . . 160 ASP N . 18246 1 756 . 1 1 161 161 SER H H 1 8.690 0.020 . 1 . . . . 161 SER H . 18246 1 757 . 1 1 161 161 SER C C 13 174.010 0.300 . 1 . . . . 161 SER C . 18246 1 758 . 1 1 161 161 SER CA C 13 58.745 0.300 . 1 . . . . 161 SER CA . 18246 1 759 . 1 1 161 161 SER CB C 13 63.985 0.300 . 1 . . . . 161 SER CB . 18246 1 760 . 1 1 161 161 SER N N 15 117.582 0.300 . 1 . . . . 161 SER N . 18246 1 761 . 1 1 162 162 GLY H H 1 8.265 0.020 . 1 . . . . 162 GLY H . 18246 1 762 . 1 1 162 162 GLY C C 13 175.441 0.300 . 1 . . . . 162 GLY C . 18246 1 763 . 1 1 162 162 GLY CA C 13 45.067 0.300 . 1 . . . . 162 GLY CA . 18246 1 764 . 1 1 162 162 GLY N N 15 107.815 0.300 . 1 . . . . 162 GLY N . 18246 1 765 . 1 1 163 163 SER H H 1 8.757 0.020 . 1 . . . . 163 SER H . 18246 1 766 . 1 1 163 163 SER C C 13 174.406 0.300 . 1 . . . . 163 SER C . 18246 1 767 . 1 1 163 163 SER CA C 13 60.796 0.300 . 1 . . . . 163 SER CA . 18246 1 768 . 1 1 163 163 SER CB C 13 63.979 0.300 . 1 . . . . 163 SER CB . 18246 1 769 . 1 1 163 163 SER N N 15 117.646 0.300 . 1 . . . . 163 SER N . 18246 1 770 . 1 1 164 164 VAL H H 1 9.497 0.020 . 1 . . . . 164 VAL H . 18246 1 771 . 1 1 164 164 VAL C C 13 172.522 0.300 . 1 . . . . 164 VAL C . 18246 1 772 . 1 1 164 164 VAL CA C 13 60.504 0.300 . 1 . . . . 164 VAL CA . 18246 1 773 . 1 1 164 164 VAL CB C 13 35.592 0.300 . 1 . . . . 164 VAL CB . 18246 1 774 . 1 1 164 164 VAL N N 15 124.710 0.300 . 1 . . . . 164 VAL N . 18246 1 775 . 1 1 165 165 VAL H H 1 7.942 0.020 . 1 . . . . 165 VAL H . 18246 1 776 . 1 1 165 165 VAL C C 13 174.114 0.300 . 1 . . . . 165 VAL C . 18246 1 777 . 1 1 165 165 VAL CA C 13 60.275 0.300 . 1 . . . . 165 VAL CA . 18246 1 778 . 1 1 165 165 VAL CB C 13 33.289 0.300 . 1 . . . . 165 VAL CB . 18246 1 779 . 1 1 165 165 VAL N N 15 123.349 0.300 . 1 . . . . 165 VAL N . 18246 1 780 . 1 1 166 166 LEU H H 1 9.174 0.020 . 1 . . . . 166 LEU H . 18246 1 781 . 1 1 166 166 LEU C C 13 176.500 0.300 . 1 . . . . 166 LEU C . 18246 1 782 . 1 1 166 166 LEU CA C 13 52.817 0.300 . 1 . . . . 166 LEU CA . 18246 1 783 . 1 1 166 166 LEU CB C 13 41.419 0.300 . 1 . . . . 166 LEU CB . 18246 1 784 . 1 1 166 166 LEU N N 15 129.329 0.300 . 1 . . . . 166 LEU N . 18246 1 785 . 1 1 167 167 LEU H H 1 9.020 0.020 . 1 . . . . 167 LEU H . 18246 1 786 . 1 1 167 167 LEU C C 13 176.127 0.300 . 1 . . . . 167 LEU C . 18246 1 787 . 1 1 167 167 LEU CA C 13 54.609 0.300 . 1 . . . . 167 LEU CA . 18246 1 788 . 1 1 167 167 LEU CB C 13 40.771 0.300 . 1 . . . . 167 LEU CB . 18246 1 789 . 1 1 167 167 LEU N N 15 126.495 0.300 . 1 . . . . 167 LEU N . 18246 1 790 . 1 1 168 168 GLY H H 1 8.742 0.020 . 1 . . . . 168 GLY H . 18246 1 791 . 1 1 168 168 GLY C C 13 173.627 0.300 . 1 . . . . 168 GLY C . 18246 1 792 . 1 1 168 168 GLY CA C 13 46.129 0.300 . 1 . . . . 168 GLY CA . 18246 1 793 . 1 1 168 168 GLY N N 15 113.798 0.300 . 1 . . . . 168 GLY N . 18246 1 794 . 1 1 169 169 GLY H H 1 6.739 0.020 . 1 . . . . 169 GLY H . 18246 1 795 . 1 1 169 169 GLY C C 13 170.018 0.300 . 1 . . . . 169 GLY C . 18246 1 796 . 1 1 169 169 GLY CA C 13 45.080 0.300 . 1 . . . . 169 GLY CA . 18246 1 797 . 1 1 169 169 GLY N N 15 103.547 0.300 . 1 . . . . 169 GLY N . 18246 1 798 . 1 1 170 170 ILE H H 1 8.030 0.020 . 1 . . . . 170 ILE H . 18246 1 799 . 1 1 170 170 ILE C C 13 174.668 0.300 . 1 . . . . 170 ILE C . 18246 1 800 . 1 1 170 170 ILE CA C 13 60.633 0.300 . 1 . . . . 170 ILE CA . 18246 1 801 . 1 1 170 170 ILE CB C 13 42.273 0.300 . 1 . . . . 170 ILE CB . 18246 1 802 . 1 1 170 170 ILE N N 15 117.846 0.300 . 1 . . . . 170 ILE N . 18246 1 803 . 1 1 171 171 ASP H H 1 7.979 0.020 . 1 . . . . 171 ASP H . 18246 1 804 . 1 1 171 171 ASP C C 13 175.298 0.300 . 1 . . . . 171 ASP C . 18246 1 805 . 1 1 171 171 ASP CA C 13 52.392 0.300 . 1 . . . . 171 ASP CA . 18246 1 806 . 1 1 171 171 ASP CB C 13 42.663 0.300 . 1 . . . . 171 ASP CB . 18246 1 807 . 1 1 171 171 ASP N N 15 126.338 0.300 . 1 . . . . 171 ASP N . 18246 1 808 . 1 1 172 172 SER H H 1 8.294 0.020 . 1 . . . . 172 SER H . 18246 1 809 . 1 1 172 172 SER C C 13 174.536 0.300 . 1 . . . . 172 SER C . 18246 1 810 . 1 1 172 172 SER CA C 13 59.374 0.300 . 1 . . . . 172 SER CA . 18246 1 811 . 1 1 172 172 SER CB C 13 62.764 0.300 . 1 . . . . 172 SER CB . 18246 1 812 . 1 1 172 172 SER N N 15 120.090 0.300 . 1 . . . . 172 SER N . 18246 1 813 . 1 1 173 173 SER H H 1 8.470 0.020 . 1 . . . . 173 SER H . 18246 1 814 . 1 1 173 173 SER C C 13 175.355 0.300 . 1 . . . . 173 SER C . 18246 1 815 . 1 1 173 173 SER CA C 13 60.118 0.300 . 1 . . . . 173 SER CA . 18246 1 816 . 1 1 173 173 SER CB C 13 62.484 0.300 . 1 . . . . 173 SER CB . 18246 1 817 . 1 1 173 173 SER N N 15 117.186 0.300 . 1 . . . . 173 SER N . 18246 1 818 . 1 1 174 174 TYR H H 1 6.659 0.020 . 1 . . . . 174 TYR H . 18246 1 819 . 1 1 174 174 TYR C C 13 174.554 0.300 . 1 . . . . 174 TYR C . 18246 1 820 . 1 1 174 174 TYR CA C 13 58.859 0.300 . 1 . . . . 174 TYR CA . 18246 1 821 . 1 1 174 174 TYR CB C 13 39.501 0.300 . 1 . . . . 174 TYR CB . 18246 1 822 . 1 1 174 174 TYR N N 15 116.790 0.300 . 1 . . . . 174 TYR N . 18246 1 823 . 1 1 175 175 TYR H H 1 6.725 0.020 . 1 . . . . 175 TYR H . 18246 1 824 . 1 1 175 175 TYR C C 13 173.237 0.300 . 1 . . . . 175 TYR C . 18246 1 825 . 1 1 175 175 TYR CA C 13 54.968 0.300 . 1 . . . . 175 TYR CA . 18246 1 826 . 1 1 175 175 TYR CB C 13 41.349 0.300 . 1 . . . . 175 TYR CB . 18246 1 827 . 1 1 175 175 TYR N N 15 114.634 0.300 . 1 . . . . 175 TYR N . 18246 1 828 . 1 1 176 176 THR H H 1 8.243 0.020 . 1 . . . . 176 THR H . 18246 1 829 . 1 1 176 176 THR C C 13 173.581 0.300 . 1 . . . . 176 THR C . 18246 1 830 . 1 1 176 176 THR CA C 13 59.203 0.300 . 1 . . . . 176 THR CA . 18246 1 831 . 1 1 176 176 THR CB C 13 70.915 0.300 . 1 . . . . 176 THR CB . 18246 1 832 . 1 1 176 176 THR N N 15 113.094 0.300 . 1 . . . . 176 THR N . 18246 1 833 . 1 1 177 177 GLY H H 1 8.052 0.020 . 1 . . . . 177 GLY H . 18246 1 834 . 1 1 177 177 GLY C C 13 173.795 0.300 . 1 . . . . 177 GLY C . 18246 1 835 . 1 1 177 177 GLY CA C 13 44.994 0.300 . 1 . . . . 177 GLY CA . 18246 1 836 . 1 1 177 177 GLY N N 15 109.267 0.300 . 1 . . . . 177 GLY N . 18246 1 837 . 1 1 178 178 SER H H 1 8.045 0.020 . 1 . . . . 178 SER H . 18246 1 838 . 1 1 178 178 SER C C 13 173.795 0.300 . 1 . . . . 178 SER C . 18246 1 839 . 1 1 178 178 SER CA C 13 56.685 0.300 . 1 . . . . 178 SER CA . 18246 1 840 . 1 1 178 178 SER CB C 13 65.025 0.300 . 1 . . . . 178 SER CB . 18246 1 841 . 1 1 178 178 SER N N 15 116.350 0.300 . 1 . . . . 178 SER N . 18246 1 842 . 1 1 179 179 LEU H H 1 8.009 0.020 . 1 . . . . 179 LEU H . 18246 1 843 . 1 1 179 179 LEU C C 13 176.127 0.300 . 1 . . . . 179 LEU C . 18246 1 844 . 1 1 179 179 LEU CA C 13 55.368 0.300 . 1 . . . . 179 LEU CA . 18246 1 845 . 1 1 179 179 LEU CB C 13 41.633 0.300 . 1 . . . . 179 LEU CB . 18246 1 846 . 1 1 179 179 LEU N N 15 123.306 0.300 . 1 . . . . 179 LEU N . 18246 1 847 . 1 1 180 180 ASN H H 1 7.958 0.020 . 1 . . . . 180 ASN H . 18246 1 848 . 1 1 180 180 ASN C C 13 173.707 0.300 . 1 . . . . 180 ASN C . 18246 1 849 . 1 1 180 180 ASN CA C 13 51.820 0.300 . 1 . . . . 180 ASN CA . 18246 1 850 . 1 1 180 180 ASN CB C 13 40.771 0.300 . 1 . . . . 180 ASN CB . 18246 1 851 . 1 1 180 180 ASN N N 15 121.902 0.300 . 1 . . . . 180 ASN N . 18246 1 852 . 1 1 181 181 TRP H H 1 8.544 0.020 . 1 . . . . 181 TRP H . 18246 1 853 . 1 1 181 181 TRP C C 13 177.129 0.300 . 1 . . . . 181 TRP C . 18246 1 854 . 1 1 181 181 TRP CA C 13 56.055 0.300 . 1 . . . . 181 TRP CA . 18246 1 855 . 1 1 181 181 TRP CB C 13 31.459 0.300 . 1 . . . . 181 TRP CB . 18246 1 856 . 1 1 181 181 TRP N N 15 120.706 0.300 . 1 . . . . 181 TRP N . 18246 1 857 . 1 1 182 182 VAL H H 1 10.040 0.020 . 1 . . . . 182 VAL H . 18246 1 858 . 1 1 182 182 VAL C C 13 173.295 0.300 . 1 . . . . 182 VAL C . 18246 1 859 . 1 1 182 182 VAL CA C 13 58.745 0.300 . 1 . . . . 182 VAL CA . 18246 1 860 . 1 1 182 182 VAL CB C 13 34.881 0.300 . 1 . . . . 182 VAL CB . 18246 1 861 . 1 1 182 182 VAL N N 15 128.097 0.300 . 1 . . . . 182 VAL N . 18246 1 862 . 1 1 183 183 PRO C C 13 176.142 0.300 . 1 . . . . 183 PRO C . 18246 1 863 . 1 1 183 183 PRO CA C 13 62.988 0.300 . 1 . . . . 183 PRO CA . 18246 1 864 . 1 1 183 183 PRO CB C 13 31.814 0.300 . 1 . . . . 183 PRO CB . 18246 1 865 . 1 1 184 184 VAL H H 1 7.832 0.020 . 1 . . . . 184 VAL H . 18246 1 866 . 1 1 184 184 VAL C C 13 177.730 0.300 . 1 . . . . 184 VAL C . 18246 1 867 . 1 1 184 184 VAL CA C 13 62.335 0.300 . 1 . . . . 184 VAL CA . 18246 1 868 . 1 1 184 184 VAL CB C 13 32.369 0.300 . 1 . . . . 184 VAL CB . 18246 1 869 . 1 1 184 184 VAL N N 15 123.962 0.300 . 1 . . . . 184 VAL N . 18246 1 870 . 1 1 185 185 SER H H 1 9.768 0.020 . 1 . . . . 185 SER H . 18246 1 871 . 1 1 185 185 SER C C 13 175.835 0.300 . 1 . . . . 185 SER C . 18246 1 872 . 1 1 185 185 SER CA C 13 59.080 0.300 . 1 . . . . 185 SER CA . 18246 1 873 . 1 1 185 185 SER CB C 13 62.950 0.300 . 1 . . . . 185 SER CB . 18246 1 874 . 1 1 185 185 SER N N 15 128.053 0.300 . 1 . . . . 185 SER N . 18246 1 875 . 1 1 186 186 VAL H H 1 6.189 0.020 . 1 . . . . 186 VAL H . 18246 1 876 . 1 1 186 186 VAL C C 13 175.856 0.300 . 1 . . . . 186 VAL C . 18246 1 877 . 1 1 186 186 VAL CA C 13 61.377 0.300 . 1 . . . . 186 VAL CA . 18246 1 878 . 1 1 186 186 VAL CB C 13 34.901 0.300 . 1 . . . . 186 VAL CB . 18246 1 879 . 1 1 186 186 VAL N N 15 122.686 0.300 . 1 . . . . 186 VAL N . 18246 1 880 . 1 1 187 187 GLU H H 1 8.382 0.020 . 1 . . . . 187 GLU H . 18246 1 881 . 1 1 187 187 GLU C C 13 174.983 0.300 . 1 . . . . 187 GLU C . 18246 1 882 . 1 1 187 187 GLU CA C 13 55.630 0.300 . 1 . . . . 187 GLU CA . 18246 1 883 . 1 1 187 187 GLU CB C 13 26.379 0.300 . 1 . . . . 187 GLU CB . 18246 1 884 . 1 1 187 187 GLU N N 15 128.361 0.300 . 1 . . . . 187 GLU N . 18246 1 885 . 1 1 188 188 GLY H H 1 7.055 0.020 . 1 . . . . 188 GLY H . 18246 1 886 . 1 1 188 188 GLY C C 13 173.752 0.300 . 1 . . . . 188 GLY C . 18246 1 887 . 1 1 188 188 GLY CA C 13 48.386 0.300 . 1 . . . . 188 GLY CA . 18246 1 888 . 1 1 188 188 GLY N N 15 118.142 0.300 . 1 . . . . 188 GLY N . 18246 1 889 . 1 1 189 189 TYR H H 1 8.184 0.020 . 1 . . . . 189 TYR H . 18246 1 890 . 1 1 189 189 TYR C C 13 175.841 0.300 . 1 . . . . 189 TYR C . 18246 1 891 . 1 1 189 189 TYR CA C 13 58.001 0.300 . 1 . . . . 189 TYR CA . 18246 1 892 . 1 1 189 189 TYR CB C 13 39.229 0.300 . 1 . . . . 189 TYR CB . 18246 1 893 . 1 1 189 189 TYR N N 15 124.798 0.300 . 1 . . . . 189 TYR N . 18246 1 894 . 1 1 190 190 TRP H H 1 9.035 0.020 . 1 . . . . 190 TRP H . 18246 1 895 . 1 1 190 190 TRP C C 13 174.525 0.300 . 1 . . . . 190 TRP C . 18246 1 896 . 1 1 190 190 TRP CA C 13 56.398 0.300 . 1 . . . . 190 TRP CA . 18246 1 897 . 1 1 190 190 TRP CB C 13 26.219 0.300 . 1 . . . . 190 TRP CB . 18246 1 898 . 1 1 190 190 TRP N N 15 122.378 0.300 . 1 . . . . 190 TRP N . 18246 1 899 . 1 1 191 191 GLN H H 1 6.820 0.020 . 1 . . . . 191 GLN H . 18246 1 900 . 1 1 191 191 GLN C C 13 174.153 0.300 . 1 . . . . 191 GLN C . 18246 1 901 . 1 1 191 191 GLN CA C 13 53.995 0.300 . 1 . . . . 191 GLN CA . 18246 1 902 . 1 1 191 191 GLN CB C 13 30.608 0.300 . 1 . . . . 191 GLN CB . 18246 1 903 . 1 1 191 191 GLN N N 15 126.250 0.300 . 1 . . . . 191 GLN N . 18246 1 904 . 1 1 192 192 ILE H H 1 9.343 0.020 . 1 . . . . 192 ILE H . 18246 1 905 . 1 1 192 192 ILE C C 13 173.594 0.300 . 1 . . . . 192 ILE C . 18246 1 906 . 1 1 192 192 ILE CA C 13 59.317 0.300 . 1 . . . . 192 ILE CA . 18246 1 907 . 1 1 192 192 ILE CB C 13 43.081 0.300 . 1 . . . . 192 ILE CB . 18246 1 908 . 1 1 192 192 ILE N N 15 119.518 0.300 . 1 . . . . 192 ILE N . 18246 1 909 . 1 1 193 193 THR H H 1 8.485 0.020 . 1 . . . . 193 THR H . 18246 1 910 . 1 1 193 193 THR C C 13 174.640 0.300 . 1 . . . . 193 THR C . 18246 1 911 . 1 1 193 193 THR CA C 13 61.935 0.300 . 1 . . . . 193 THR CA . 18246 1 912 . 1 1 193 193 THR CB C 13 68.874 0.300 . 1 . . . . 193 THR CB . 18246 1 913 . 1 1 193 193 THR N N 15 117.582 0.300 . 1 . . . . 193 THR N . 18246 1 914 . 1 1 194 194 LEU H H 1 9.116 0.020 . 1 . . . . 194 LEU H . 18246 1 915 . 1 1 194 194 LEU C C 13 174.468 0.300 . 1 . . . . 194 LEU C . 18246 1 916 . 1 1 194 194 LEU CA C 13 53.022 0.300 . 1 . . . . 194 LEU CA . 18246 1 917 . 1 1 194 194 LEU CB C 13 42.548 0.300 . 1 . . . . 194 LEU CB . 18246 1 918 . 1 1 194 194 LEU N N 15 130.429 0.300 . 1 . . . . 194 LEU N . 18246 1 919 . 1 1 195 195 ASP C C 13 176.485 0.300 . 1 . . . . 195 ASP C . 18246 1 920 . 1 1 195 195 ASP CA C 13 57.004 0.300 . 1 . . . . 195 ASP CA . 18246 1 921 . 1 1 195 195 ASP CB C 13 40.778 0.300 . 1 . . . . 195 ASP CB . 18246 1 922 . 1 1 196 196 SER H H 1 6.952 0.020 . 1 . . . . 196 SER H . 18246 1 923 . 1 1 196 196 SER C C 13 172.393 0.300 . 1 . . . . 196 SER C . 18246 1 924 . 1 1 196 196 SER CA C 13 58.173 0.300 . 1 . . . . 196 SER CA . 18246 1 925 . 1 1 196 196 SER N N 15 104.911 0.300 . 1 . . . . 196 SER N . 18246 1 926 . 1 1 197 197 ILE H H 1 6.849 0.020 . 1 . . . . 197 ILE H . 18246 1 927 . 1 1 197 197 ILE C C 13 175.841 0.300 . 1 . . . . 197 ILE C . 18246 1 928 . 1 1 197 197 ILE CA C 13 60.805 0.300 . 1 . . . . 197 ILE CA . 18246 1 929 . 1 1 197 197 ILE CB C 13 39.277 0.300 . 1 . . . . 197 ILE CB . 18246 1 930 . 1 1 197 197 ILE N N 15 119.254 0.300 . 1 . . . . 197 ILE N . 18246 1 931 . 1 1 198 198 THR H H 1 8.754 0.020 . 1 . . . . 198 THR H . 18246 1 932 . 1 1 198 198 THR C C 13 172.894 0.300 . 1 . . . . 198 THR C . 18246 1 933 . 1 1 198 198 THR CA C 13 58.630 0.300 . 1 . . . . 198 THR CA . 18246 1 934 . 1 1 198 198 THR CB C 13 73.232 0.300 . 1 . . . . 198 THR CB . 18246 1 935 . 1 1 198 198 THR N N 15 117.869 0.300 . 1 . . . . 198 THR N . 18246 1 936 . 1 1 199 199 MET H H 1 8.551 0.020 . 1 . . . . 199 MET H . 18246 1 937 . 1 1 199 199 MET C C 13 175.698 0.300 . 1 . . . . 199 MET C . 18246 1 938 . 1 1 199 199 MET CA C 13 55.483 0.300 . 1 . . . . 199 MET CA . 18246 1 939 . 1 1 199 199 MET CB C 13 36.845 0.300 . 1 . . . . 199 MET CB . 18246 1 940 . 1 1 199 199 MET N N 15 119.694 0.300 . 1 . . . . 199 MET N . 18246 1 941 . 1 1 200 200 ASP H H 1 10.120 0.020 . 1 . . . . 200 ASP H . 18246 1 942 . 1 1 200 200 ASP C C 13 175.527 0.300 . 1 . . . . 200 ASP C . 18246 1 943 . 1 1 200 200 ASP CA C 13 54.510 0.300 . 1 . . . . 200 ASP CA . 18246 1 944 . 1 1 200 200 ASP CB C 13 38.830 0.300 . 1 . . . . 200 ASP CB . 18246 1 945 . 1 1 200 200 ASP N N 15 130.429 0.300 . 1 . . . . 200 ASP N . 18246 1 946 . 1 1 201 201 GLY H H 1 8.470 0.020 . 1 . . . . 201 GLY H . 18246 1 947 . 1 1 201 201 GLY C C 13 173.609 0.300 . 1 . . . . 201 GLY C . 18246 1 948 . 1 1 201 201 GLY CA C 13 44.952 0.300 . 1 . . . . 201 GLY CA . 18246 1 949 . 1 1 201 201 GLY N N 15 103.371 0.300 . 1 . . . . 201 GLY N . 18246 1 950 . 1 1 202 202 GLU H H 1 7.458 0.020 . 1 . . . . 202 GLU H . 18246 1 951 . 1 1 202 202 GLU C C 13 176.156 0.300 . 1 . . . . 202 GLU C . 18246 1 952 . 1 1 202 202 GLU CA C 13 53.677 0.300 . 1 . . . . 202 GLU CA . 18246 1 953 . 1 1 202 202 GLU CB C 13 30.377 0.300 . 1 . . . . 202 GLU CB . 18246 1 954 . 1 1 202 202 GLU N N 15 121.146 0.300 . 1 . . . . 202 GLU N . 18246 1 955 . 1 1 203 203 THR H H 1 8.932 0.020 . 1 . . . . 203 THR H . 18246 1 956 . 1 1 203 203 THR CA C 13 63.840 0.300 . 1 . . . . 203 THR CA . 18246 1 957 . 1 1 203 203 THR CB C 13 67.796 0.300 . 1 . . . . 203 THR CB . 18246 1 958 . 1 1 203 203 THR N N 15 122.510 0.300 . 1 . . . . 203 THR N . 18246 1 959 . 1 1 204 204 ILE C C 13 174.991 0.300 . 1 . . . . 204 ILE C . 18246 1 960 . 1 1 204 204 ILE CA C 13 60.675 0.300 . 1 . . . . 204 ILE CA . 18246 1 961 . 1 1 204 204 ILE CB C 13 38.880 0.300 . 1 . . . . 204 ILE CB . 18246 1 962 . 1 1 205 205 ALA H H 1 7.634 0.020 . 1 . . . . 205 ALA H . 18246 1 963 . 1 1 205 205 ALA C C 13 174.039 0.300 . 1 . . . . 205 ALA C . 18246 1 964 . 1 1 205 205 ALA CA C 13 51.305 0.300 . 1 . . . . 205 ALA CA . 18246 1 965 . 1 1 205 205 ALA CB C 13 21.369 0.300 . 1 . . . . 205 ALA CB . 18246 1 966 . 1 1 205 205 ALA N N 15 121.498 0.300 . 1 . . . . 205 ALA N . 18246 1 967 . 1 1 206 206 CYS C C 13 175.455 0.300 . 1 . . . . 206 CYS C . 18246 1 968 . 1 1 206 206 CYS CA C 13 57.331 0.300 . 1 . . . . 206 CYS CA . 18246 1 969 . 1 1 207 207 SER H H 1 8.001 0.020 . 1 . . . . 207 SER H . 18246 1 970 . 1 1 207 207 SER C C 13 177.036 0.300 . 1 . . . . 207 SER C . 18246 1 971 . 1 1 207 207 SER CA C 13 59.522 0.300 . 1 . . . . 207 SER CA . 18246 1 972 . 1 1 207 207 SER CB C 13 62.085 0.300 . 1 . . . . 207 SER CB . 18246 1 973 . 1 1 207 207 SER N N 15 112.830 0.300 . 1 . . . . 207 SER N . 18246 1 974 . 1 1 208 208 GLY H H 1 9.082 0.020 . 1 . . . . 208 GLY H . 18246 1 975 . 1 1 208 208 GLY C C 13 175.932 0.300 . 1 . . . . 208 GLY C . 18246 1 976 . 1 1 208 208 GLY CA C 13 45.113 0.300 . 1 . . . . 208 GLY CA . 18246 1 977 . 1 1 208 208 GLY N N 15 117.623 0.300 . 1 . . . . 208 GLY N . 18246 1 978 . 1 1 209 209 GLY C C 13 175.932 0.300 . 1 . . . . 209 GLY C . 18246 1 979 . 1 1 209 209 GLY CA C 13 46.185 0.300 . 1 . . . . 209 GLY CA . 18246 1 980 . 1 1 210 210 CYS H H 1 8.036 0.020 . 1 . . . . 210 CYS H . 18246 1 981 . 1 1 210 210 CYS C C 13 172.198 0.300 . 1 . . . . 210 CYS C . 18246 1 982 . 1 1 210 210 CYS CA C 13 55.081 0.300 . 1 . . . . 210 CYS CA . 18246 1 983 . 1 1 210 210 CYS N N 15 117.029 0.300 . 1 . . . . 210 CYS N . 18246 1 984 . 1 1 211 211 GLN H H 1 8.803 0.020 . 1 . . . . 211 GLN H . 18246 1 985 . 1 1 211 211 GLN C C 13 174.341 0.300 . 1 . . . . 211 GLN C . 18246 1 986 . 1 1 211 211 GLN CA C 13 53.492 0.300 . 1 . . . . 211 GLN CA . 18246 1 987 . 1 1 211 211 GLN CB C 13 31.677 0.300 . 1 . . . . 211 GLN CB . 18246 1 988 . 1 1 211 211 GLN N N 15 119.361 0.300 . 1 . . . . 211 GLN N . 18246 1 989 . 1 1 212 212 ALA H H 1 8.998 0.020 . 1 . . . . 212 ALA H . 18246 1 990 . 1 1 212 212 ALA C C 13 175.870 0.300 . 1 . . . . 212 ALA C . 18246 1 991 . 1 1 212 212 ALA CA C 13 48.672 0.300 . 1 . . . . 212 ALA CA . 18246 1 992 . 1 1 212 212 ALA CB C 13 23.332 0.300 . 1 . . . . 212 ALA CB . 18246 1 993 . 1 1 212 212 ALA N N 15 123.214 0.300 . 1 . . . . 212 ALA N . 18246 1 994 . 1 1 213 213 ILE H H 1 8.367 0.020 . 1 . . . . 213 ILE H . 18246 1 995 . 1 1 213 213 ILE C C 13 175.229 0.300 . 1 . . . . 213 ILE C . 18246 1 996 . 1 1 213 213 ILE CA C 13 57.829 0.300 . 1 . . . . 213 ILE CA . 18246 1 997 . 1 1 213 213 ILE CB C 13 39.508 0.300 . 1 . . . . 213 ILE CB . 18246 1 998 . 1 1 213 213 ILE N N 15 111.158 0.300 . 1 . . . . 213 ILE N . 18246 1 999 . 1 1 214 214 VAL H H 1 8.348 0.020 . 1 . . . . 214 VAL H . 18246 1 1000 . 1 1 214 214 VAL C C 13 178.201 0.300 . 1 . . . . 214 VAL C . 18246 1 1001 . 1 1 214 214 VAL CA C 13 62.465 0.300 . 1 . . . . 214 VAL CA . 18246 1 1002 . 1 1 214 214 VAL CB C 13 31.331 0.300 . 1 . . . . 214 VAL CB . 18246 1 1003 . 1 1 214 214 VAL N N 15 122.965 0.300 . 1 . . . . 214 VAL N . 18246 1 1004 . 1 1 215 215 ASP H H 1 8.558 0.020 . 1 . . . . 215 ASP H . 18246 1 1005 . 1 1 215 215 ASP C C 13 173.638 0.300 . 1 . . . . 215 ASP C . 18246 1 1006 . 1 1 215 215 ASP CA C 13 50.561 0.300 . 1 . . . . 215 ASP CA . 18246 1 1007 . 1 1 215 215 ASP CB C 13 40.259 0.300 . 1 . . . . 215 ASP CB . 18246 1 1008 . 1 1 215 215 ASP N N 15 128.229 0.300 . 1 . . . . 215 ASP N . 18246 1 1009 . 1 1 216 216 THR H H 1 8.595 0.020 . 1 . . . . 216 THR H . 18246 1 1010 . 1 1 216 216 THR C C 13 177.000 0.300 . 1 . . . . 216 THR C . 18246 1 1011 . 1 1 216 216 THR CA C 13 63.896 0.300 . 1 . . . . 216 THR CA . 18246 1 1012 . 1 1 216 216 THR CB C 13 68.519 0.300 . 1 . . . . 216 THR CB . 18246 1 1013 . 1 1 216 216 THR N N 15 115.250 0.300 . 1 . . . . 216 THR N . 18246 1 1014 . 1 1 217 217 GLY H H 1 7.891 0.020 . 1 . . . . 217 GLY H . 18246 1 1015 . 1 1 217 217 GLY C C 13 171.120 0.300 . 1 . . . . 217 GLY C . 18246 1 1016 . 1 1 217 217 GLY CA C 13 44.723 0.300 . 1 . . . . 217 GLY CA . 18246 1 1017 . 1 1 217 217 GLY N N 15 112.038 0.300 . 1 . . . . 217 GLY N . 18246 1 1018 . 1 1 218 218 THR H H 1 6.666 0.020 . 1 . . . . 218 THR H . 18246 1 1019 . 1 1 218 218 THR C C 13 174.611 0.300 . 1 . . . . 218 THR C . 18246 1 1020 . 1 1 218 218 THR CA C 13 60.677 0.300 . 1 . . . . 218 THR CA . 18246 1 1021 . 1 1 218 218 THR CB C 13 72.762 0.300 . 1 . . . . 218 THR CB . 18246 1 1022 . 1 1 218 218 THR N N 15 114.370 0.300 . 1 . . . . 218 THR N . 18246 1 1023 . 1 1 219 219 SER H H 1 8.588 0.020 . 1 . . . . 219 SER H . 18246 1 1024 . 1 1 219 219 SER C C 13 174.954 0.300 . 1 . . . . 219 SER C . 18246 1 1025 . 1 1 219 219 SER CA C 13 62.522 0.300 . 1 . . . . 219 SER CA . 18246 1 1026 . 1 1 219 219 SER N N 15 123.478 0.300 . 1 . . . . 219 SER N . 18246 1 1027 . 1 1 220 220 LEU C C 13 176.886 0.300 . 1 . . . . 220 LEU C . 18246 1 1028 . 1 1 220 220 LEU CA C 13 52.330 0.300 . 1 . . . . 220 LEU CA . 18246 1 1029 . 1 1 220 220 LEU CB C 13 42.105 0.300 . 1 . . . . 220 LEU CB . 18246 1 1030 . 1 1 221 221 LEU H H 1 9.152 0.020 . 1 . . . . 221 LEU H . 18246 1 1031 . 1 1 221 221 LEU C C 13 176.712 0.300 . 1 . . . . 221 LEU C . 18246 1 1032 . 1 1 221 221 LEU CA C 13 53.937 0.300 . 1 . . . . 221 LEU CA . 18246 1 1033 . 1 1 221 221 LEU CB C 13 41.575 0.300 . 1 . . . . 221 LEU CB . 18246 1 1034 . 1 1 221 221 LEU N N 15 125.502 0.300 . 1 . . . . 221 LEU N . 18246 1 1035 . 1 1 222 222 THR H H 1 8.932 0.020 . 1 . . . . 222 THR H . 18246 1 1036 . 1 1 222 222 THR C C 13 173.838 0.300 . 1 . . . . 222 THR C . 18246 1 1037 . 1 1 222 222 THR CA C 13 59.752 0.300 . 1 . . . . 222 THR CA . 18246 1 1038 . 1 1 222 222 THR CB C 13 69.739 0.300 . 1 . . . . 222 THR CB . 18246 1 1039 . 1 1 222 222 THR N N 15 117.802 0.300 . 1 . . . . 222 THR N . 18246 1 1040 . 1 1 223 223 GLY H H 1 7.436 0.020 . 1 . . . . 223 GLY H . 18246 1 1041 . 1 1 223 223 GLY CA C 13 43.636 0.300 . 1 . . . . 223 GLY CA . 18246 1 1042 . 1 1 223 223 GLY N N 15 107.639 0.300 . 1 . . . . 223 GLY N . 18246 1 1043 . 1 1 224 224 PRO C C 13 177.745 0.300 . 1 . . . . 224 PRO C . 18246 1 1044 . 1 1 224 224 PRO CA C 13 62.221 0.300 . 1 . . . . 224 PRO CA . 18246 1 1045 . 1 1 224 224 PRO CB C 13 31.532 0.300 . 1 . . . . 224 PRO CB . 18246 1 1046 . 1 1 225 225 THR H H 1 8.624 0.020 . 1 . . . . 225 THR H . 18246 1 1047 . 1 1 225 225 THR C C 13 177.953 0.300 . 1 . . . . 225 THR C . 18246 1 1048 . 1 1 225 225 THR CA C 13 66.643 0.300 . 1 . . . . 225 THR CA . 18246 1 1049 . 1 1 225 225 THR CB C 13 67.796 0.300 . 1 . . . . 225 THR CB . 18246 1 1050 . 1 1 225 225 THR N N 15 119.650 0.300 . 1 . . . . 225 THR N . 18246 1 1051 . 1 1 226 226 SER H H 1 8.744 0.020 . 1 . . . . 226 SER H . 18246 1 1052 . 1 1 226 226 SER C C 13 175.770 0.300 . 1 . . . . 226 SER C . 18246 1 1053 . 1 1 226 226 SER CA C 13 60.719 0.300 . 1 . . . . 226 SER CA . 18246 1 1054 . 1 1 226 226 SER CB C 13 61.904 0.300 . 1 . . . . 226 SER CB . 18246 1 1055 . 1 1 226 226 SER N N 15 117.321 0.300 . 1 . . . . 226 SER N . 18246 1 1056 . 1 1 227 227 ALA H H 1 6.695 0.020 . 1 . . . . 227 ALA H . 18246 1 1057 . 1 1 227 227 ALA C C 13 180.906 0.300 . 1 . . . . 227 ALA C . 18246 1 1058 . 1 1 227 227 ALA CA C 13 53.750 0.300 . 1 . . . . 227 ALA CA . 18246 1 1059 . 1 1 227 227 ALA CB C 13 20.098 0.300 . 1 . . . . 227 ALA CB . 18246 1 1060 . 1 1 227 227 ALA N N 15 124.314 0.300 . 1 . . . . 227 ALA N . 18246 1 1061 . 1 1 228 228 ILE H H 1 8.263 0.020 . 1 . . . . 228 ILE H . 18246 1 1062 . 1 1 228 228 ILE C C 13 177.978 0.300 . 1 . . . . 228 ILE C . 18246 1 1063 . 1 1 228 228 ILE CA C 13 60.748 0.300 . 1 . . . . 228 ILE CA . 18246 1 1064 . 1 1 228 228 ILE CB C 13 33.725 0.300 . 1 . . . . 228 ILE CB . 18246 1 1065 . 1 1 228 228 ILE N N 15 119.281 0.300 . 1 . . . . 228 ILE N . 18246 1 1066 . 1 1 229 229 ALA H H 1 7.912 0.020 . 1 . . . . 229 ALA H . 18246 1 1067 . 1 1 229 229 ALA C C 13 180.792 0.300 . 1 . . . . 229 ALA C . 18246 1 1068 . 1 1 229 229 ALA CA C 13 55.483 0.300 . 1 . . . . 229 ALA CA . 18246 1 1069 . 1 1 229 229 ALA CB C 13 17.211 0.300 . 1 . . . . 229 ALA CB . 18246 1 1070 . 1 1 229 229 ALA N N 15 122.639 0.300 . 1 . . . . 229 ALA N . 18246 1 1071 . 1 1 230 230 ASN H H 1 6.798 0.020 . 1 . . . . 230 ASN H . 18246 1 1072 . 1 1 230 230 ASN C C 13 176.986 0.300 . 1 . . . . 230 ASN C . 18246 1 1073 . 1 1 230 230 ASN CA C 13 55.296 0.300 . 1 . . . . 230 ASN CA . 18246 1 1074 . 1 1 230 230 ASN CB C 13 37.538 0.300 . 1 . . . . 230 ASN CB . 18246 1 1075 . 1 1 230 230 ASN N N 15 115.426 0.300 . 1 . . . . 230 ASN N . 18246 1 1076 . 1 1 231 231 ILE H H 1 7.157 0.020 . 1 . . . . 231 ILE H . 18246 1 1077 . 1 1 231 231 ILE C C 13 177.361 0.300 . 1 . . . . 231 ILE C . 18246 1 1078 . 1 1 231 231 ILE CA C 13 66.128 0.300 . 1 . . . . 231 ILE CA . 18246 1 1079 . 1 1 231 231 ILE CB C 13 37.307 0.300 . 1 . . . . 231 ILE CB . 18246 1 1080 . 1 1 231 231 ILE N N 15 121.982 0.300 . 1 . . . . 231 ILE N . 18246 1 1081 . 1 1 232 232 GLN H H 1 8.478 0.020 . 1 . . . . 232 GLN H . 18246 1 1082 . 1 1 232 232 GLN C C 13 179.733 0.300 . 1 . . . . 232 GLN C . 18246 1 1083 . 1 1 232 232 GLN CA C 13 57.413 0.300 . 1 . . . . 232 GLN CA . 18246 1 1084 . 1 1 232 232 GLN CB C 13 26.797 0.300 . 1 . . . . 232 GLN CB . 18246 1 1085 . 1 1 232 232 GLN N N 15 115.514 0.300 . 1 . . . . 232 GLN N . 18246 1 1086 . 1 1 233 233 SER H H 1 7.289 0.020 . 1 . . . . 233 SER H . 18246 1 1087 . 1 1 233 233 SER C C 13 177.816 0.300 . 1 . . . . 233 SER C . 18246 1 1088 . 1 1 233 233 SER CA C 13 60.920 0.300 . 1 . . . . 233 SER CA . 18246 1 1089 . 1 1 233 233 SER CB C 13 62.368 0.300 . 1 . . . . 233 SER CB . 18246 1 1090 . 1 1 233 233 SER N N 15 112.082 0.300 . 1 . . . . 233 SER N . 18246 1 1091 . 1 1 234 234 ASP H H 1 7.986 0.020 . 1 . . . . 234 ASP H . 18246 1 1092 . 1 1 234 234 ASP C C 13 177.387 0.300 . 1 . . . . 234 ASP C . 18246 1 1093 . 1 1 234 234 ASP CA C 13 55.483 0.300 . 1 . . . . 234 ASP CA . 18246 1 1094 . 1 1 234 234 ASP CB C 13 36.614 0.300 . 1 . . . . 234 ASP CB . 18246 1 1095 . 1 1 234 234 ASP N N 15 122.114 0.300 . 1 . . . . 234 ASP N . 18246 1 1096 . 1 1 235 235 ILE H H 1 7.641 0.020 . 1 . . . . 235 ILE H . 18246 1 1097 . 1 1 235 235 ILE C C 13 174.840 0.300 . 1 . . . . 235 ILE C . 18246 1 1098 . 1 1 235 235 ILE CA C 13 61.320 0.300 . 1 . . . . 235 ILE CA . 18246 1 1099 . 1 1 235 235 ILE CB C 13 38.231 0.300 . 1 . . . . 235 ILE CB . 18246 1 1100 . 1 1 235 235 ILE N N 15 111.334 0.300 . 1 . . . . 235 ILE N . 18246 1 1101 . 1 1 236 236 GLY H H 1 7.436 0.020 . 1 . . . . 236 GLY H . 18246 1 1102 . 1 1 236 236 GLY C C 13 174.954 0.300 . 1 . . . . 236 GLY C . 18246 1 1103 . 1 1 236 236 GLY CA C 13 45.753 0.300 . 1 . . . . 236 GLY CA . 18246 1 1104 . 1 1 236 236 GLY N N 15 108.695 0.300 . 1 . . . . 236 GLY N . 18246 1 1105 . 1 1 237 237 ALA H H 1 8.301 0.020 . 1 . . . . 237 ALA H . 18246 1 1106 . 1 1 237 237 ALA C C 13 176.843 0.300 . 1 . . . . 237 ALA C . 18246 1 1107 . 1 1 237 237 ALA CA C 13 50.603 0.300 . 1 . . . . 237 ALA CA . 18246 1 1108 . 1 1 237 237 ALA CB C 13 20.098 0.300 . 1 . . . . 237 ALA CB . 18246 1 1109 . 1 1 237 237 ALA N N 15 124.402 0.300 . 1 . . . . 237 ALA N . 18246 1 1110 . 1 1 238 238 SER H H 1 8.690 0.020 . 1 . . . . 238 SER H . 18246 1 1111 . 1 1 238 238 SER C C 13 172.808 0.300 . 1 . . . . 238 SER C . 18246 1 1112 . 1 1 238 238 SER CA C 13 57.257 0.300 . 1 . . . . 238 SER CA . 18246 1 1113 . 1 1 238 238 SER CB C 13 65.602 0.300 . 1 . . . . 238 SER CB . 18246 1 1114 . 1 1 238 238 SER N N 15 116.438 0.300 . 1 . . . . 238 SER N . 18246 1 1115 . 1 1 239 239 GLU H H 1 8.492 0.020 . 1 . . . . 239 GLU H . 18246 1 1116 . 1 1 239 239 GLU C C 13 177.787 0.300 . 1 . . . . 239 GLU C . 18246 1 1117 . 1 1 239 239 GLU CA C 13 55.940 0.300 . 1 . . . . 239 GLU CA . 18246 1 1118 . 1 1 239 239 GLU CB C 13 29.800 0.300 . 1 . . . . 239 GLU CB . 18246 1 1119 . 1 1 239 239 GLU N N 15 125.546 0.300 . 1 . . . . 239 GLU N . 18246 1 1120 . 1 1 240 240 ASN H H 1 8.881 0.020 . 1 . . . . 240 ASN H . 18246 1 1121 . 1 1 240 240 ASN C C 13 177.845 0.300 . 1 . . . . 240 ASN C . 18246 1 1122 . 1 1 240 240 ASN CA C 13 50.504 0.300 . 1 . . . . 240 ASN CA . 18246 1 1123 . 1 1 240 240 ASN CB C 13 38.599 0.300 . 1 . . . . 240 ASN CB . 18246 1 1124 . 1 1 240 240 ASN N N 15 126.602 0.300 . 1 . . . . 240 ASN N . 18246 1 1125 . 1 1 241 241 SER H H 1 8.177 0.020 . 1 . . . . 241 SER H . 18246 1 1126 . 1 1 241 241 SER C C 13 174.361 0.300 . 1 . . . . 241 SER C . 18246 1 1127 . 1 1 241 241 SER CA C 13 60.805 0.300 . 1 . . . . 241 SER CA . 18246 1 1128 . 1 1 241 241 SER CB C 13 62.484 0.300 . 1 . . . . 241 SER CB . 18246 1 1129 . 1 1 241 241 SER N N 15 113.704 0.300 . 1 . . . . 241 SER N . 18246 1 1130 . 1 1 242 242 ASP H H 1 7.245 0.020 . 1 . . . . 242 ASP H . 18246 1 1131 . 1 1 242 242 ASP C C 13 176.185 0.300 . 1 . . . . 242 ASP C . 18246 1 1132 . 1 1 242 242 ASP CA C 13 56.627 0.300 . 1 . . . . 242 ASP CA . 18246 1 1133 . 1 1 242 242 ASP CB C 13 37.964 0.300 . 1 . . . . 242 ASP CB . 18246 1 1134 . 1 1 242 242 ASP N N 15 119.386 0.300 . 1 . . . . 242 ASP N . 18246 1 1135 . 1 1 243 243 GLY H H 1 7.839 0.020 . 1 . . . . 243 GLY H . 18246 1 1136 . 1 1 243 243 GLY C C 13 174.182 0.300 . 1 . . . . 243 GLY C . 18246 1 1137 . 1 1 243 243 GLY CA C 13 45.124 0.300 . 1 . . . . 243 GLY CA . 18246 1 1138 . 1 1 243 243 GLY N N 15 108.299 0.300 . 1 . . . . 243 GLY N . 18246 1 1139 . 1 1 244 244 GLU H H 1 7.729 0.020 . 1 . . . . 244 GLU H . 18246 1 1140 . 1 1 244 244 GLU C C 13 175.212 0.300 . 1 . . . . 244 GLU C . 18246 1 1141 . 1 1 244 244 GLU CA C 13 54.452 0.300 . 1 . . . . 244 GLU CA . 18246 1 1142 . 1 1 244 244 GLU CB C 13 29.754 0.300 . 1 . . . . 244 GLU CB . 18246 1 1143 . 1 1 244 244 GLU N N 15 120.486 0.300 . 1 . . . . 244 GLU N . 18246 1 1144 . 1 1 245 245 MET H H 1 8.742 0.020 . 1 . . . . 245 MET H . 18246 1 1145 . 1 1 245 245 MET C C 13 175.023 0.300 . 1 . . . . 245 MET C . 18246 1 1146 . 1 1 245 245 MET CA C 13 52.220 0.300 . 1 . . . . 245 MET CA . 18246 1 1147 . 1 1 245 245 MET CB C 13 29.569 0.300 . 1 . . . . 245 MET CB . 18246 1 1148 . 1 1 245 245 MET N N 15 123.478 0.300 . 1 . . . . 245 MET N . 18246 1 1149 . 1 1 246 246 VAL H H 1 8.338 0.020 . 1 . . . . 246 VAL H . 18246 1 1150 . 1 1 246 246 VAL C C 13 175.212 0.300 . 1 . . . . 246 VAL C . 18246 1 1151 . 1 1 246 246 VAL CA C 13 61.206 0.300 . 1 . . . . 246 VAL CA . 18246 1 1152 . 1 1 246 246 VAL CB C 13 33.957 0.300 . 1 . . . . 246 VAL CB . 18246 1 1153 . 1 1 246 246 VAL N N 15 122.906 0.300 . 1 . . . . 246 VAL N . 18246 1 1154 . 1 1 247 247 ILE H H 1 7.914 0.020 . 1 . . . . 247 ILE H . 18246 1 1155 . 1 1 247 247 ILE C C 13 174.276 0.300 . 1 . . . . 247 ILE C . 18246 1 1156 . 1 1 247 247 ILE CA C 13 58.917 0.300 . 1 . . . . 247 ILE CA . 18246 1 1157 . 1 1 247 247 ILE CB C 13 42.847 0.300 . 1 . . . . 247 ILE CB . 18246 1 1158 . 1 1 247 247 ILE N N 15 122.321 0.300 . 1 . . . . 247 ILE N . 18246 1 1159 . 1 1 248 248 SER H H 1 8.639 0.020 . 1 . . . . 248 SER H . 18246 1 1160 . 1 1 248 248 SER C C 13 177.902 0.300 . 1 . . . . 248 SER C . 18246 1 1161 . 1 1 248 248 SER CA C 13 58.287 0.300 . 1 . . . . 248 SER CA . 18246 1 1162 . 1 1 248 248 SER CB C 13 62.715 0.300 . 1 . . . . 248 SER CB . 18246 1 1163 . 1 1 248 248 SER N N 15 120.970 0.300 . 1 . . . . 248 SER N . 18246 1 1164 . 1 1 249 249 CYS H H 1 9.394 0.020 . 1 . . . . 249 CYS H . 18246 1 1165 . 1 1 249 249 CYS C C 13 177.558 0.300 . 1 . . . . 249 CYS C . 18246 1 1166 . 1 1 249 249 CYS CA C 13 55.940 0.300 . 1 . . . . 249 CYS CA . 18246 1 1167 . 1 1 249 249 CYS CB C 13 39.000 0.300 . 1 . . . . 249 CYS CB . 18246 1 1168 . 1 1 249 249 CYS N N 15 128.933 0.300 . 1 . . . . 249 CYS N . 18246 1 1169 . 1 1 250 250 SER H H 1 8.235 0.020 . 1 . . . . 250 SER H . 18246 1 1170 . 1 1 250 250 SER C C 13 175.856 0.300 . 1 . . . . 250 SER C . 18246 1 1171 . 1 1 250 250 SER CA C 13 60.118 0.300 . 1 . . . . 250 SER CA . 18246 1 1172 . 1 1 250 250 SER CB C 13 62.022 0.300 . 1 . . . . 250 SER CB . 18246 1 1173 . 1 1 250 250 SER N N 15 115.778 0.300 . 1 . . . . 250 SER N . 18246 1 1174 . 1 1 251 251 SER H H 1 7.773 0.020 . 1 . . . . 251 SER H . 18246 1 1175 . 1 1 251 251 SER C C 13 175.441 0.300 . 1 . . . . 251 SER C . 18246 1 1176 . 1 1 251 251 SER CA C 13 59.874 0.300 . 1 . . . . 251 SER CA . 18246 1 1177 . 1 1 251 251 SER CB C 13 63.061 0.300 . 1 . . . . 251 SER CB . 18246 1 1178 . 1 1 251 251 SER N N 15 118.374 0.300 . 1 . . . . 251 SER N . 18246 1 1179 . 1 1 252 252 ILE H H 1 7.201 0.020 . 1 . . . . 252 ILE H . 18246 1 1180 . 1 1 252 252 ILE C C 13 176.500 0.300 . 1 . . . . 252 ILE C . 18246 1 1181 . 1 1 252 252 ILE CA C 13 65.269 0.300 . 1 . . . . 252 ILE CA . 18246 1 1182 . 1 1 252 252 ILE CB C 13 38.115 0.300 . 1 . . . . 252 ILE CB . 18246 1 1183 . 1 1 252 252 ILE N N 15 121.806 0.300 . 1 . . . . 252 ILE N . 18246 1 1184 . 1 1 253 253 ASP H H 1 7.407 0.020 . 1 . . . . 253 ASP H . 18246 1 1185 . 1 1 253 253 ASP C C 13 176.299 0.300 . 1 . . . . 253 ASP C . 18246 1 1186 . 1 1 253 253 ASP CA C 13 55.082 0.300 . 1 . . . . 253 ASP CA . 18246 1 1187 . 1 1 253 253 ASP CB C 13 40.309 0.300 . 1 . . . . 253 ASP CB . 18246 1 1188 . 1 1 253 253 ASP N N 15 114.898 0.300 . 1 . . . . 253 ASP N . 18246 1 1189 . 1 1 254 254 SER H H 1 7.495 0.020 . 1 . . . . 254 SER H . 18246 1 1190 . 1 1 254 254 SER C C 13 174.725 0.300 . 1 . . . . 254 SER C . 18246 1 1191 . 1 1 254 254 SER CA C 13 57.944 0.300 . 1 . . . . 254 SER CA . 18246 1 1192 . 1 1 254 254 SER CB C 13 64.794 0.300 . 1 . . . . 254 SER CB . 18246 1 1193 . 1 1 254 254 SER N N 15 112.566 0.300 . 1 . . . . 254 SER N . 18246 1 1194 . 1 1 255 255 LEU H H 1 7.260 0.020 . 1 . . . . 255 LEU H . 18246 1 1195 . 1 1 255 255 LEU CA C 13 53.407 0.300 . 1 . . . . 255 LEU CA . 18246 1 1196 . 1 1 255 255 LEU CB C 13 41.903 0.300 . 1 . . . . 255 LEU CB . 18246 1 1197 . 1 1 255 255 LEU N N 15 125.898 0.300 . 1 . . . . 255 LEU N . 18246 1 1198 . 1 1 256 256 PRO C C 13 175.970 0.300 . 1 . . . . 256 PRO C . 18246 1 1199 . 1 1 256 256 PRO CA C 13 61.248 0.300 . 1 . . . . 256 PRO CA . 18246 1 1200 . 1 1 256 256 PRO CB C 13 32.456 0.300 . 1 . . . . 256 PRO CB . 18246 1 1201 . 1 1 257 257 ASP H H 1 8.404 0.020 . 1 . . . . 257 ASP H . 18246 1 1202 . 1 1 257 257 ASP C C 13 176.585 0.300 . 1 . . . . 257 ASP C . 18246 1 1203 . 1 1 257 257 ASP CA C 13 54.681 0.300 . 1 . . . . 257 ASP CA . 18246 1 1204 . 1 1 257 257 ASP CB C 13 39.404 0.300 . 1 . . . . 257 ASP CB . 18246 1 1205 . 1 1 257 257 ASP N N 15 119.430 0.300 . 1 . . . . 257 ASP N . 18246 1 1206 . 1 1 258 258 ILE H H 1 8.654 0.020 . 1 . . . . 258 ILE H . 18246 1 1207 . 1 1 258 258 ILE C C 13 174.958 0.300 . 1 . . . . 258 ILE C . 18246 1 1208 . 1 1 258 258 ILE CA C 13 61.076 0.300 . 1 . . . . 258 ILE CA . 18246 1 1209 . 1 1 258 258 ILE CB C 13 39.229 0.300 . 1 . . . . 258 ILE CB . 18246 1 1210 . 1 1 258 258 ILE N N 15 123.315 0.300 . 1 . . . . 258 ILE N . 18246 1 1211 . 1 1 259 259 VAL H H 1 8.954 0.020 . 1 . . . . 259 VAL H . 18246 1 1212 . 1 1 259 259 VAL C C 13 175.575 0.300 . 1 . . . . 259 VAL C . 18246 1 1213 . 1 1 259 259 VAL CA C 13 62.236 0.300 . 1 . . . . 259 VAL CA . 18246 1 1214 . 1 1 259 259 VAL CB C 13 32.340 0.300 . 1 . . . . 259 VAL CB . 18246 1 1215 . 1 1 259 259 VAL N N 15 127.468 0.300 . 1 . . . . 259 VAL N . 18246 1 1216 . 1 1 260 260 PHE H H 1 8.257 0.020 . 1 . . . . 260 PHE H . 18246 1 1217 . 1 1 260 260 PHE C C 13 175.411 0.300 . 1 . . . . 260 PHE C . 18246 1 1218 . 1 1 260 260 PHE CA C 13 56.569 0.300 . 1 . . . . 260 PHE CA . 18246 1 1219 . 1 1 260 260 PHE CB C 13 39.099 0.300 . 1 . . . . 260 PHE CB . 18246 1 1220 . 1 1 260 260 PHE N N 15 131.837 0.300 . 1 . . . . 260 PHE N . 18246 1 1221 . 1 1 261 261 THR H H 1 8.118 0.020 . 1 . . . . 261 THR H . 18246 1 1222 . 1 1 261 261 THR C C 13 173.497 0.300 . 1 . . . . 261 THR C . 18246 1 1223 . 1 1 261 261 THR CA C 13 62.792 0.300 . 1 . . . . 261 THR CA . 18246 1 1224 . 1 1 261 261 THR CB C 13 67.786 0.300 . 1 . . . . 261 THR CB . 18246 1 1225 . 1 1 261 261 THR N N 15 123.700 0.300 . 1 . . . . 261 THR N . 18246 1 1226 . 1 1 262 262 ILE H H 1 9.180 0.020 . 1 . . . . 262 ILE H . 18246 1 1227 . 1 1 262 262 ILE C C 13 176.387 0.300 . 1 . . . . 262 ILE C . 18246 1 1228 . 1 1 262 262 ILE CA C 13 61.127 0.300 . 1 . . . . 262 ILE CA . 18246 1 1229 . 1 1 262 262 ILE CB C 13 40.030 0.300 . 1 . . . . 262 ILE CB . 18246 1 1230 . 1 1 262 262 ILE N N 15 127.569 0.300 . 1 . . . . 262 ILE N . 18246 1 1231 . 1 1 263 263 ASN H H 1 10.340 0.020 . 1 . . . . 263 ASN H . 18246 1 1232 . 1 1 263 263 ASN C C 13 175.326 0.300 . 1 . . . . 263 ASN C . 18246 1 1233 . 1 1 263 263 ASN CA C 13 53.183 0.300 . 1 . . . . 263 ASN CA . 18246 1 1234 . 1 1 263 263 ASN CB C 13 38.490 0.300 . 1 . . . . 263 ASN CB . 18246 1 1235 . 1 1 263 263 ASN N N 15 134.565 0.300 . 1 . . . . 263 ASN N . 18246 1 1236 . 1 1 264 264 GLY H H 1 8.081 0.020 . 1 . . . . 264 GLY H . 18246 1 1237 . 1 1 264 264 GLY C C 13 173.152 0.300 . 1 . . . . 264 GLY C . 18246 1 1238 . 1 1 264 264 GLY CA C 13 45.207 0.300 . 1 . . . . 264 GLY CA . 18246 1 1239 . 1 1 264 264 GLY N N 15 101.655 0.300 . 1 . . . . 264 GLY N . 18246 1 1240 . 1 1 265 265 VAL H H 1 7.561 0.020 . 1 . . . . 265 VAL H . 18246 1 1241 . 1 1 265 265 VAL C C 13 173.993 0.300 . 1 . . . . 265 VAL C . 18246 1 1242 . 1 1 265 265 VAL CA C 13 60.977 0.300 . 1 . . . . 265 VAL CA . 18246 1 1243 . 1 1 265 265 VAL CB C 13 32.687 0.300 . 1 . . . . 265 VAL CB . 18246 1 1244 . 1 1 265 265 VAL N N 15 124.710 0.300 . 1 . . . . 265 VAL N . 18246 1 1245 . 1 1 266 266 GLN H H 1 8.030 0.020 . 1 . . . . 266 GLN H . 18246 1 1246 . 1 1 266 266 GLN C C 13 175.298 0.300 . 1 . . . . 266 GLN C . 18246 1 1247 . 1 1 266 266 GLN CA C 13 56.841 0.300 . 1 . . . . 266 GLN CA . 18246 1 1248 . 1 1 266 266 GLN CB C 13 28.876 0.300 . 1 . . . . 266 GLN CB . 18246 1 1249 . 1 1 266 266 GLN N N 15 124.270 0.300 . 1 . . . . 266 GLN N . 18246 1 1250 . 1 1 267 267 TYR H H 1 8.698 0.020 . 1 . . . . 267 TYR H . 18246 1 1251 . 1 1 267 267 TYR C C 13 174.114 0.300 . 1 . . . . 267 TYR C . 18246 1 1252 . 1 1 267 267 TYR CA C 13 55.982 0.300 . 1 . . . . 267 TYR CA . 18246 1 1253 . 1 1 267 267 TYR N N 15 122.202 0.300 . 1 . . . . 267 TYR N . 18246 1 1254 . 1 1 268 268 PRO C C 13 176.145 0.300 . 1 . . . . 268 PRO C . 18246 1 1255 . 1 1 268 268 PRO CA C 13 62.221 0.300 . 1 . . . . 268 PRO CA . 18246 1 1256 . 1 1 268 268 PRO CB C 13 32.802 0.300 . 1 . . . . 268 PRO CB . 18246 1 1257 . 1 1 269 269 LEU H H 1 9.431 0.020 . 1 . . . . 269 LEU H . 18246 1 1258 . 1 1 269 269 LEU C C 13 175.283 0.300 . 1 . . . . 269 LEU C . 18246 1 1259 . 1 1 269 269 LEU CA C 13 53.750 0.300 . 1 . . . . 269 LEU CA . 18246 1 1260 . 1 1 269 269 LEU CB C 13 44.307 0.300 . 1 . . . . 269 LEU CB . 18246 1 1261 . 1 1 269 269 LEU N N 15 123.610 0.300 . 1 . . . . 269 LEU N . 18246 1 1262 . 1 1 270 270 SER H H 1 8.749 0.020 . 1 . . . . 270 SER H . 18246 1 1263 . 1 1 270 270 SER C C 13 174.059 0.300 . 1 . . . . 270 SER C . 18246 1 1264 . 1 1 270 270 SER CA C 13 56.112 0.300 . 1 . . . . 270 SER CA . 18246 1 1265 . 1 1 270 270 SER CB C 13 62.830 0.300 . 1 . . . . 270 SER CB . 18246 1 1266 . 1 1 270 270 SER N N 15 121.806 0.300 . 1 . . . . 270 SER N . 18246 1 1267 . 1 1 271 271 PRO C C 13 176.142 0.300 . 1 . . . . 271 PRO C . 18246 1 1268 . 1 1 271 271 PRO CA C 13 64.739 0.300 . 1 . . . . 271 PRO CA . 18246 1 1269 . 1 1 271 271 PRO CB C 13 31.101 0.300 . 1 . . . . 271 PRO CB . 18246 1 1270 . 1 1 272 272 SER H H 1 7.363 0.020 . 1 . . . . 272 SER H . 18246 1 1271 . 1 1 272 272 SER C C 13 174.067 0.300 . 1 . . . . 272 SER C . 18246 1 1272 . 1 1 272 272 SER CA C 13 60.176 0.300 . 1 . . . . 272 SER CA . 18246 1 1273 . 1 1 272 272 SER CB C 13 62.599 0.300 . 1 . . . . 272 SER CB . 18246 1 1274 . 1 1 272 272 SER N N 15 107.903 0.300 . 1 . . . . 272 SER N . 18246 1 1275 . 1 1 273 273 ALA H H 1 7.923 0.020 . 1 . . . . 273 ALA H . 18246 1 1276 . 1 1 273 273 ALA C C 13 178.374 0.300 . 1 . . . . 273 ALA C . 18246 1 1277 . 1 1 273 273 ALA CA C 13 52.850 0.300 . 1 . . . . 273 ALA CA . 18246 1 1278 . 1 1 273 273 ALA CB C 13 20.445 0.300 . 1 . . . . 273 ALA CB . 18246 1 1279 . 1 1 273 273 ALA N N 15 123.038 0.300 . 1 . . . . 273 ALA N . 18246 1 1280 . 1 1 274 274 TYR H H 1 7.558 0.020 . 1 . . . . 274 TYR H . 18246 1 1281 . 1 1 274 274 TYR C C 13 172.264 0.300 . 1 . . . . 274 TYR C . 18246 1 1282 . 1 1 274 274 TYR CA C 13 57.944 0.300 . 1 . . . . 274 TYR CA . 18246 1 1283 . 1 1 274 274 TYR CB C 13 36.729 0.300 . 1 . . . . 274 TYR CB . 18246 1 1284 . 1 1 274 274 TYR N N 15 112.561 0.300 . 1 . . . . 274 TYR N . 18246 1 1285 . 1 1 275 275 ILE H H 1 7.326 0.020 . 1 . . . . 275 ILE H . 18246 1 1286 . 1 1 275 275 ILE C C 13 175.012 0.300 . 1 . . . . 275 ILE C . 18246 1 1287 . 1 1 275 275 ILE CA C 13 59.489 0.300 . 1 . . . . 275 ILE CA . 18246 1 1288 . 1 1 275 275 ILE CB C 13 36.729 0.300 . 1 . . . . 275 ILE CB . 18246 1 1289 . 1 1 275 275 ILE N N 15 122.906 0.300 . 1 . . . . 275 ILE N . 18246 1 1290 . 1 1 276 276 LEU H H 1 8.698 0.020 . 1 . . . . 276 LEU H . 18246 1 1291 . 1 1 276 276 LEU C C 13 176.328 0.300 . 1 . . . . 276 LEU C . 18246 1 1292 . 1 1 276 276 LEU CA C 13 54.338 0.300 . 1 . . . . 276 LEU CA . 18246 1 1293 . 1 1 276 276 LEU CB C 13 40.697 0.300 . 1 . . . . 276 LEU CB . 18246 1 1294 . 1 1 276 276 LEU N N 15 128.757 0.300 . 1 . . . . 276 LEU N . 18246 1 1295 . 1 1 277 277 GLN H H 1 8.522 0.020 . 1 . . . . 277 GLN H . 18246 1 1296 . 1 1 277 277 GLN C C 13 174.840 0.300 . 1 . . . . 277 GLN C . 18246 1 1297 . 1 1 277 277 GLN CA C 13 54.781 0.300 . 1 . . . . 277 GLN CA . 18246 1 1298 . 1 1 277 277 GLN CB C 13 30.366 0.300 . 1 . . . . 277 GLN CB . 18246 1 1299 . 1 1 277 277 GLN N N 15 124.006 0.300 . 1 . . . . 277 GLN N . 18246 1 1300 . 1 1 278 278 ASP H H 1 8.375 0.020 . 1 . . . . 278 ASP H . 18246 1 1301 . 1 1 278 278 ASP C C 13 175.056 0.300 . 1 . . . . 278 ASP C . 18246 1 1302 . 1 1 278 278 ASP CA C 13 52.564 0.300 . 1 . . . . 278 ASP CA . 18246 1 1303 . 1 1 278 278 ASP CB C 13 40.258 0.300 . 1 . . . . 278 ASP CB . 18246 1 1304 . 1 1 278 278 ASP N N 15 125.722 0.300 . 1 . . . . 278 ASP N . 18246 1 1305 . 1 1 279 279 ASP H H 1 8.822 0.020 . 1 . . . . 279 ASP H . 18246 1 1306 . 1 1 279 279 ASP C C 13 174.983 0.300 . 1 . . . . 279 ASP C . 18246 1 1307 . 1 1 279 279 ASP CA C 13 55.868 0.300 . 1 . . . . 279 ASP CA . 18246 1 1308 . 1 1 279 279 ASP CB C 13 38.412 0.300 . 1 . . . . 279 ASP CB . 18246 1 1309 . 1 1 279 279 ASP N N 15 123.522 0.300 . 1 . . . . 279 ASP N . 18246 1 1310 . 1 1 280 280 ASP H H 1 8.297 0.020 . 1 . . . . 280 ASP H . 18246 1 1311 . 1 1 280 280 ASP C C 13 175.283 0.300 . 1 . . . . 280 ASP C . 18246 1 1312 . 1 1 280 280 ASP CA C 13 54.166 0.300 . 1 . . . . 280 ASP CA . 18246 1 1313 . 1 1 280 280 ASP CB C 13 40.083 0.300 . 1 . . . . 280 ASP CB . 18246 1 1314 . 1 1 280 280 ASP N N 15 118.727 0.300 . 1 . . . . 280 ASP N . 18246 1 1315 . 1 1 281 281 SER H H 1 7.861 0.020 . 1 . . . . 281 SER H . 18246 1 1316 . 1 1 281 281 SER C C 13 173.323 0.300 . 1 . . . . 281 SER C . 18246 1 1317 . 1 1 281 281 SER CA C 13 57.657 0.300 . 1 . . . . 281 SER CA . 18246 1 1318 . 1 1 281 281 SER CB C 13 64.332 0.300 . 1 . . . . 281 SER CB . 18246 1 1319 . 1 1 281 281 SER N N 15 115.734 0.300 . 1 . . . . 281 SER N . 18246 1 1320 . 1 1 282 282 CYS H H 1 8.940 0.020 . 1 . . . . 282 CYS H . 18246 1 1321 . 1 1 282 282 CYS C C 13 173.562 0.300 . 1 . . . . 282 CYS C . 18246 1 1322 . 1 1 282 282 CYS CA C 13 57.871 0.300 . 1 . . . . 282 CYS CA . 18246 1 1323 . 1 1 282 282 CYS CB C 13 45.509 0.300 . 1 . . . . 282 CYS CB . 18246 1 1324 . 1 1 282 282 CYS N N 15 123.522 0.300 . 1 . . . . 282 CYS N . 18246 1 1325 . 1 1 283 283 THR H H 1 8.778 0.020 . 1 . . . . 283 THR H . 18246 1 1326 . 1 1 283 283 THR C C 13 173.752 0.300 . 1 . . . . 283 THR C . 18246 1 1327 . 1 1 283 283 THR CA C 13 59.322 0.300 . 1 . . . . 283 THR CA . 18246 1 1328 . 1 1 283 283 THR CB C 13 72.130 0.300 . 1 . . . . 283 THR CB . 18246 1 1329 . 1 1 283 283 THR N N 15 114.458 0.300 . 1 . . . . 283 THR N . 18246 1 1330 . 1 1 284 284 SER H H 1 8.153 0.020 . 1 . . . . 284 SER H . 18246 1 1331 . 1 1 284 284 SER C C 13 175.498 0.300 . 1 . . . . 284 SER C . 18246 1 1332 . 1 1 284 284 SER CA C 13 58.287 0.300 . 1 . . . . 284 SER CA . 18246 1 1333 . 1 1 284 284 SER CB C 13 63.870 0.300 . 1 . . . . 284 SER CB . 18246 1 1334 . 1 1 284 284 SER N N 15 113.573 0.300 . 1 . . . . 284 SER N . 18246 1 1335 . 1 1 285 285 GLY H H 1 8.633 0.020 . 1 . . . . 285 GLY H . 18246 1 1336 . 1 1 285 285 GLY C C 13 170.605 0.300 . 1 . . . . 285 GLY C . 18246 1 1337 . 1 1 285 285 GLY CA C 13 45.624 0.300 . 1 . . . . 285 GLY CA . 18246 1 1338 . 1 1 285 285 GLY N N 15 116.459 0.300 . 1 . . . . 285 GLY N . 18246 1 1339 . 1 1 286 286 PHE H H 1 8.012 0.020 . 1 . . . . 286 PHE H . 18246 1 1340 . 1 1 286 286 PHE C C 13 176.271 0.300 . 1 . . . . 286 PHE C . 18246 1 1341 . 1 1 286 286 PHE CA C 13 56.097 0.300 . 1 . . . . 286 PHE CA . 18246 1 1342 . 1 1 286 286 PHE CB C 13 40.774 0.300 . 1 . . . . 286 PHE CB . 18246 1 1343 . 1 1 286 286 PHE N N 15 116.044 0.300 . 1 . . . . 286 PHE N . 18246 1 1344 . 1 1 287 287 GLU H H 1 8.778 0.020 . 1 . . . . 287 GLU H . 18246 1 1345 . 1 1 287 287 GLU C C 13 173.981 0.300 . 1 . . . . 287 GLU C . 18246 1 1346 . 1 1 287 287 GLU CA C 13 53.852 0.300 . 1 . . . . 287 GLU CA . 18246 1 1347 . 1 1 287 287 GLU CB C 13 31.994 0.300 . 1 . . . . 287 GLU CB . 18246 1 1348 . 1 1 287 287 GLU N N 15 122.510 0.300 . 1 . . . . 287 GLU N . 18246 1 1349 . 1 1 288 288 GLY H H 1 8.646 0.020 . 1 . . . . 288 GLY H . 18246 1 1350 . 1 1 288 288 GLY C C 13 173.337 0.300 . 1 . . . . 288 GLY C . 18246 1 1351 . 1 1 288 288 GLY CA C 13 44.437 0.300 . 1 . . . . 288 GLY CA . 18246 1 1352 . 1 1 288 288 GLY N N 15 114.106 0.300 . 1 . . . . 288 GLY N . 18246 1 1353 . 1 1 289 289 MET H H 1 9.042 0.020 . 1 . . . . 289 MET H . 18246 1 1354 . 1 1 289 289 MET C C 13 173.781 0.300 . 1 . . . . 289 MET C . 18246 1 1355 . 1 1 289 289 MET CA C 13 56.169 0.300 . 1 . . . . 289 MET CA . 18246 1 1356 . 1 1 289 289 MET CB C 13 34.073 0.300 . 1 . . . . 289 MET CB . 18246 1 1357 . 1 1 289 289 MET N N 15 127.437 0.300 . 1 . . . . 289 MET N . 18246 1 1358 . 1 1 290 290 ASP H H 1 9.041 0.020 . 1 . . . . 290 ASP H . 18246 1 1359 . 1 1 290 290 ASP C C 13 174.210 0.300 . 1 . . . . 290 ASP C . 18246 1 1360 . 1 1 290 290 ASP CA C 13 54.838 0.300 . 1 . . . . 290 ASP CA . 18246 1 1361 . 1 1 290 290 ASP CB C 13 40.314 0.300 . 1 . . . . 290 ASP CB . 18246 1 1362 . 1 1 290 290 ASP N N 15 130.777 0.300 . 1 . . . . 290 ASP N . 18246 1 1363 . 1 1 291 291 VAL H H 1 8.947 0.020 . 1 . . . . 291 VAL H . 18246 1 1364 . 1 1 291 291 VAL C C 13 172.620 0.300 . 1 . . . . 291 VAL C . 18246 1 1365 . 1 1 291 291 VAL CA C 13 59.260 0.300 . 1 . . . . 291 VAL CA . 18246 1 1366 . 1 1 291 291 VAL CB C 13 32.340 0.300 . 1 . . . . 291 VAL CB . 18246 1 1367 . 1 1 291 291 VAL N N 15 127.965 0.300 . 1 . . . . 291 VAL N . 18246 1 1368 . 1 1 292 292 PRO CA C 13 62.965 0.300 . 1 . . . . 292 PRO CA . 18246 1 1369 . 1 1 292 292 PRO CB C 13 31.856 0.300 . 1 . . . . 292 PRO CB . 18246 1 1370 . 1 1 293 293 THR H H 1 7.553 0.020 . 1 . . . . 293 THR H . 18246 1 1371 . 1 1 293 293 THR C C 13 175.985 0.300 . 1 . . . . 293 THR C . 18246 1 1372 . 1 1 293 293 THR CA C 13 60.405 0.300 . 1 . . . . 293 THR CA . 18246 1 1373 . 1 1 293 293 THR CB C 13 72.329 0.300 . 1 . . . . 293 THR CB . 18246 1 1374 . 1 1 293 293 THR N N 15 113.842 0.300 . 1 . . . . 293 THR N . 18246 1 1375 . 1 1 294 294 SER H H 1 8.793 0.020 . 1 . . . . 294 SER H . 18246 1 1376 . 1 1 294 294 SER C C 13 175.283 0.300 . 1 . . . . 294 SER C . 18246 1 1377 . 1 1 294 294 SER CA C 13 60.103 0.300 . 1 . . . . 294 SER CA . 18246 1 1378 . 1 1 294 294 SER CB C 13 62.599 0.300 . 1 . . . . 294 SER CB . 18246 1 1379 . 1 1 294 294 SER N N 15 117.406 0.300 . 1 . . . . 294 SER N . 18246 1 1380 . 1 1 295 295 SER H H 1 8.001 0.020 . 1 . . . . 295 SER H . 18246 1 1381 . 1 1 295 295 SER C C 13 173.638 0.300 . 1 . . . . 295 SER C . 18246 1 1382 . 1 1 295 295 SER CA C 13 57.657 0.300 . 1 . . . . 295 SER CA . 18246 1 1383 . 1 1 295 295 SER CB C 13 63.292 0.300 . 1 . . . . 295 SER CB . 18246 1 1384 . 1 1 295 295 SER N N 15 115.778 0.300 . 1 . . . . 295 SER N . 18246 1 1385 . 1 1 296 296 GLY H H 1 7.421 0.020 . 1 . . . . 296 GLY H . 18246 1 1386 . 1 1 296 296 GLY C C 13 173.509 0.300 . 1 . . . . 296 GLY C . 18246 1 1387 . 1 1 296 296 GLY CA C 13 43.922 0.300 . 1 . . . . 296 GLY CA . 18246 1 1388 . 1 1 296 296 GLY N N 15 110.894 0.300 . 1 . . . . 296 GLY N . 18246 1 1389 . 1 1 297 297 GLU H H 1 8.287 0.020 . 1 . . . . 297 GLU H . 18246 1 1390 . 1 1 297 297 GLU C C 13 176.643 0.300 . 1 . . . . 297 GLU C . 18246 1 1391 . 1 1 297 297 GLU CA C 13 55.883 0.300 . 1 . . . . 297 GLU CA . 18246 1 1392 . 1 1 297 297 GLU CB C 13 29.107 0.300 . 1 . . . . 297 GLU CB . 18246 1 1393 . 1 1 297 297 GLU N N 15 121.366 0.300 . 1 . . . . 297 GLU N . 18246 1 1394 . 1 1 298 298 LEU H H 1 7.964 0.020 . 1 . . . . 298 LEU H . 18246 1 1395 . 1 1 298 298 LEU C C 13 177.621 0.300 . 1 . . . . 298 LEU C . 18246 1 1396 . 1 1 298 298 LEU CA C 13 55.353 0.300 . 1 . . . . 298 LEU CA . 18246 1 1397 . 1 1 298 298 LEU CB C 13 44.070 0.300 . 1 . . . . 298 LEU CB . 18246 1 1398 . 1 1 298 298 LEU N N 15 123.258 0.300 . 1 . . . . 298 LEU N . 18246 1 1399 . 1 1 299 299 TRP H H 1 8.727 0.020 . 1 . . . . 299 TRP H . 18246 1 1400 . 1 1 299 299 TRP C C 13 175.398 0.300 . 1 . . . . 299 TRP C . 18246 1 1401 . 1 1 299 299 TRP CA C 13 57.142 0.300 . 1 . . . . 299 TRP CA . 18246 1 1402 . 1 1 299 299 TRP CB C 13 29.092 0.300 . 1 . . . . 299 TRP CB . 18246 1 1403 . 1 1 299 299 TRP N N 15 126.294 0.300 . 1 . . . . 299 TRP N . 18246 1 1404 . 1 1 300 300 ILE H H 1 9.248 0.020 . 1 . . . . 300 ILE H . 18246 1 1405 . 1 1 300 300 ILE C C 13 175.944 0.300 . 1 . . . . 300 ILE C . 18246 1 1406 . 1 1 300 300 ILE CA C 13 61.606 0.300 . 1 . . . . 300 ILE CA . 18246 1 1407 . 1 1 300 300 ILE CB C 13 37.780 0.300 . 1 . . . . 300 ILE CB . 18246 1 1408 . 1 1 300 300 ILE N N 15 120.926 0.300 . 1 . . . . 300 ILE N . 18246 1 1409 . 1 1 301 301 LEU H H 1 8.940 0.020 . 1 . . . . 301 LEU H . 18246 1 1410 . 1 1 301 301 LEU C C 13 175.212 0.300 . 1 . . . . 301 LEU C . 18246 1 1411 . 1 1 301 301 LEU CA C 13 52.623 0.300 . 1 . . . . 301 LEU CA . 18246 1 1412 . 1 1 301 301 LEU CB C 13 37.572 0.300 . 1 . . . . 301 LEU CB . 18246 1 1413 . 1 1 301 301 LEU N N 15 127.393 0.300 . 1 . . . . 301 LEU N . 18246 1 1414 . 1 1 302 302 GLY H H 1 6.497 0.020 . 1 . . . . 302 GLY H . 18246 1 1415 . 1 1 302 302 GLY C C 13 176.809 0.300 . 1 . . . . 302 GLY C . 18246 1 1416 . 1 1 302 302 GLY CA C 13 43.121 0.300 . 1 . . . . 302 GLY CA . 18246 1 1417 . 1 1 302 302 GLY N N 15 110.278 0.300 . 1 . . . . 302 GLY N . 18246 1 1418 . 1 1 303 303 ASP H H 1 9.578 0.020 . 1 . . . . 303 ASP H . 18246 1 1419 . 1 1 303 303 ASP C C 13 175.298 0.300 . 1 . . . . 303 ASP C . 18246 1 1420 . 1 1 303 303 ASP CA C 13 57.257 0.300 . 1 . . . . 303 ASP CA . 18246 1 1421 . 1 1 303 303 ASP CB C 13 37.422 0.300 . 1 . . . . 303 ASP CB . 18246 1 1422 . 1 1 303 303 ASP N N 15 122.642 0.300 . 1 . . . . 303 ASP N . 18246 1 1423 . 1 1 304 304 VAL H H 1 6.638 0.020 . 1 . . . . 304 VAL H . 18246 1 1424 . 1 1 304 304 VAL C C 13 176.190 0.300 . 1 . . . . 304 VAL C . 18246 1 1425 . 1 1 304 304 VAL CA C 13 65.326 0.300 . 1 . . . . 304 VAL CA . 18246 1 1426 . 1 1 304 304 VAL CB C 13 34.095 0.300 . 1 . . . . 304 VAL CB . 18246 1 1427 . 1 1 304 304 VAL N N 15 115.691 0.300 . 1 . . . . 304 VAL N . 18246 1 1428 . 1 1 305 305 PHE H H 1 7.113 0.020 . 1 . . . . 305 PHE H . 18246 1 1429 . 1 1 305 305 PHE C C 13 176.328 0.300 . 1 . . . . 305 PHE C . 18246 1 1430 . 1 1 305 305 PHE CA C 13 60.462 0.300 . 1 . . . . 305 PHE CA . 18246 1 1431 . 1 1 305 305 PHE CB C 13 40.887 0.300 . 1 . . . . 305 PHE CB . 18246 1 1432 . 1 1 305 305 PHE N N 15 115.954 0.300 . 1 . . . . 305 PHE N . 18246 1 1433 . 1 1 306 306 ILE H H 1 7.832 0.020 . 1 . . . . 306 ILE H . 18246 1 1434 . 1 1 306 306 ILE C C 13 176.428 0.300 . 1 . . . . 306 ILE C . 18246 1 1435 . 1 1 306 306 ILE CA C 13 63.651 0.300 . 1 . . . . 306 ILE CA . 18246 1 1436 . 1 1 306 306 ILE CB C 13 39.853 0.300 . 1 . . . . 306 ILE CB . 18246 1 1437 . 1 1 306 306 ILE N N 15 119.937 0.300 . 1 . . . . 306 ILE N . 18246 1 1438 . 1 1 307 307 ARG H H 1 8.221 0.020 . 1 . . . . 307 ARG H . 18246 1 1439 . 1 1 307 307 ARG C C 13 177.673 0.300 . 1 . . . . 307 ARG C . 18246 1 1440 . 1 1 307 307 ARG CA C 13 59.187 0.300 . 1 . . . . 307 ARG CA . 18246 1 1441 . 1 1 307 307 ARG CB C 13 33.264 0.300 . 1 . . . . 307 ARG CB . 18246 1 1442 . 1 1 307 307 ARG N N 15 117.318 0.300 . 1 . . . . 307 ARG N . 18246 1 1443 . 1 1 308 308 GLN H H 1 6.989 0.020 . 1 . . . . 308 GLN H . 18246 1 1444 . 1 1 308 308 GLN C C 13 175.956 0.300 . 1 . . . . 308 GLN C . 18246 1 1445 . 1 1 308 308 GLN CA C 13 53.537 0.300 . 1 . . . . 308 GLN CA . 18246 1 1446 . 1 1 308 308 GLN CB C 13 28.414 0.300 . 1 . . . . 308 GLN CB . 18246 1 1447 . 1 1 308 308 GLN N N 15 110.454 0.300 . 1 . . . . 308 GLN N . 18246 1 1448 . 1 1 309 309 TYR H H 1 7.150 0.020 . 1 . . . . 309 TYR H . 18246 1 1449 . 1 1 309 309 TYR C C 13 173.008 0.300 . 1 . . . . 309 TYR C . 18246 1 1450 . 1 1 309 309 TYR CA C 13 57.829 0.300 . 1 . . . . 309 TYR CA . 18246 1 1451 . 1 1 309 309 TYR CB C 13 40.425 0.300 . 1 . . . . 309 TYR CB . 18246 1 1452 . 1 1 309 309 TYR N N 15 120.926 0.300 . 1 . . . . 309 TYR N . 18246 1 1453 . 1 1 310 310 TYR H H 1 8.162 0.020 . 1 . . . . 310 TYR H . 18246 1 1454 . 1 1 310 310 TYR C C 13 174.597 0.300 . 1 . . . . 310 TYR C . 18246 1 1455 . 1 1 310 310 TYR CA C 13 58.859 0.300 . 1 . . . . 310 TYR CA . 18246 1 1456 . 1 1 310 310 TYR CB C 13 39.932 0.300 . 1 . . . . 310 TYR CB . 18246 1 1457 . 1 1 310 310 TYR N N 15 127.349 0.300 . 1 . . . . 310 TYR N . 18246 1 1458 . 1 1 311 311 THR H H 1 6.747 0.020 . 1 . . . . 311 THR H . 18246 1 1459 . 1 1 311 311 THR C C 13 172.536 0.300 . 1 . . . . 311 THR C . 18246 1 1460 . 1 1 311 311 THR CA C 13 60.519 0.300 . 1 . . . . 311 THR CA . 18246 1 1461 . 1 1 311 311 THR CB C 13 69.875 0.300 . 1 . . . . 311 THR CB . 18246 1 1462 . 1 1 311 311 THR N N 15 120.002 0.300 . 1 . . . . 311 THR N . 18246 1 1463 . 1 1 312 312 VAL H H 1 8.764 0.020 . 1 . . . . 312 VAL H . 18246 1 1464 . 1 1 312 312 VAL C C 13 172.694 0.300 . 1 . . . . 312 VAL C . 18246 1 1465 . 1 1 312 312 VAL CA C 13 60.061 0.300 . 1 . . . . 312 VAL CA . 18246 1 1466 . 1 1 312 312 VAL CB C 13 33.495 0.300 . 1 . . . . 312 VAL CB . 18246 1 1467 . 1 1 312 312 VAL N N 15 125.282 0.300 . 1 . . . . 312 VAL N . 18246 1 1468 . 1 1 313 313 PHE H H 1 8.543 0.020 . 1 . . . . 313 PHE H . 18246 1 1469 . 1 1 313 313 PHE C C 13 172.665 0.300 . 1 . . . . 313 PHE C . 18246 1 1470 . 1 1 313 313 PHE CA C 13 56.003 0.300 . 1 . . . . 313 PHE CA . 18246 1 1471 . 1 1 313 313 PHE CB C 13 36.670 0.300 . 1 . . . . 313 PHE CB . 18246 1 1472 . 1 1 313 313 PHE N N 15 128.043 0.300 . 1 . . . . 313 PHE N . 18246 1 1473 . 1 1 314 314 ASP H H 1 8.270 0.020 . 1 . . . . 314 ASP H . 18246 1 1474 . 1 1 314 314 ASP C C 13 177.848 0.300 . 1 . . . . 314 ASP C . 18246 1 1475 . 1 1 314 314 ASP CA C 13 52.212 0.300 . 1 . . . . 314 ASP CA . 18246 1 1476 . 1 1 314 314 ASP CB C 13 42.041 0.300 . 1 . . . . 314 ASP CB . 18246 1 1477 . 1 1 314 314 ASP N N 15 121.383 0.300 . 1 . . . . 314 ASP N . 18246 1 1478 . 1 1 315 315 ARG H H 1 7.927 0.020 . 1 . . . . 315 ARG H . 18246 1 1479 . 1 1 315 315 ARG C C 13 177.491 0.300 . 1 . . . . 315 ARG C . 18246 1 1480 . 1 1 315 315 ARG CA C 13 54.052 0.300 . 1 . . . . 315 ARG CA . 18246 1 1481 . 1 1 315 315 ARG CB C 13 28.401 0.300 . 1 . . . . 315 ARG CB . 18246 1 1482 . 1 1 315 315 ARG N N 15 124.710 0.300 . 1 . . . . 315 ARG N . 18246 1 1483 . 1 1 316 316 ALA H H 1 8.045 0.020 . 1 . . . . 316 ALA H . 18246 1 1484 . 1 1 316 316 ALA C C 13 179.476 0.300 . 1 . . . . 316 ALA C . 18246 1 1485 . 1 1 316 316 ALA CA C 13 54.666 0.300 . 1 . . . . 316 ALA CA . 18246 1 1486 . 1 1 316 316 ALA CB C 13 17.904 0.300 . 1 . . . . 316 ALA CB . 18246 1 1487 . 1 1 316 316 ALA N N 15 125.326 0.300 . 1 . . . . 316 ALA N . 18246 1 1488 . 1 1 317 317 ASN H H 1 7.359 0.020 . 1 . . . . 317 ASN H . 18246 1 1489 . 1 1 317 317 ASN C C 13 173.924 0.300 . 1 . . . . 317 ASN C . 18246 1 1490 . 1 1 317 317 ASN CA C 13 51.404 0.300 . 1 . . . . 317 ASN CA . 18246 1 1491 . 1 1 317 317 ASN CB C 13 39.277 0.300 . 1 . . . . 317 ASN CB . 18246 1 1492 . 1 1 317 317 ASN N N 15 111.148 0.300 . 1 . . . . 317 ASN N . 18246 1 1493 . 1 1 318 318 ASN H H 1 7.473 0.020 . 1 . . . . 318 ASN H . 18246 1 1494 . 1 1 318 318 ASN C C 13 173.470 0.300 . 1 . . . . 318 ASN C . 18246 1 1495 . 1 1 318 318 ASN CA C 13 54.853 0.300 . 1 . . . . 318 ASN CA . 18246 1 1496 . 1 1 318 318 ASN CB C 13 37.191 0.300 . 1 . . . . 318 ASN CB . 18246 1 1497 . 1 1 318 318 ASN N N 15 118.550 0.300 . 1 . . . . 318 ASN N . 18246 1 1498 . 1 1 319 319 LYS H H 1 8.331 0.020 . 1 . . . . 319 LYS H . 18246 1 1499 . 1 1 319 319 LYS C C 13 173.367 0.300 . 1 . . . . 319 LYS C . 18246 1 1500 . 1 1 319 319 LYS CA C 13 54.723 0.300 . 1 . . . . 319 LYS CA . 18246 1 1501 . 1 1 319 319 LYS CB C 13 38.692 0.300 . 1 . . . . 319 LYS CB . 18246 1 1502 . 1 1 319 319 LYS N N 15 116.658 0.300 . 1 . . . . 319 LYS N . 18246 1 1503 . 1 1 320 320 VAL H H 1 9.160 0.020 . 1 . . . . 320 VAL H . 18246 1 1504 . 1 1 320 320 VAL C C 13 174.725 0.300 . 1 . . . . 320 VAL C . 18246 1 1505 . 1 1 320 320 VAL CA C 13 59.718 0.300 . 1 . . . . 320 VAL CA . 18246 1 1506 . 1 1 320 320 VAL CB C 13 34.073 0.300 . 1 . . . . 320 VAL CB . 18246 1 1507 . 1 1 320 320 VAL N N 15 120.882 0.300 . 1 . . . . 320 VAL N . 18246 1 1508 . 1 1 321 321 GLY H H 1 9.724 0.020 . 1 . . . . 321 GLY H . 18246 1 1509 . 1 1 321 321 GLY C C 13 171.549 0.300 . 1 . . . . 321 GLY C . 18246 1 1510 . 1 1 321 321 GLY CA C 13 43.161 0.300 . 1 . . . . 321 GLY CA . 18246 1 1511 . 1 1 321 321 GLY N N 15 118.066 0.300 . 1 . . . . 321 GLY N . 18246 1 1512 . 1 1 322 322 LEU H H 1 8.020 0.020 . 1 . . . . 322 LEU H . 18246 1 1513 . 1 1 322 322 LEU C C 13 177.978 0.300 . 1 . . . . 322 LEU C . 18246 1 1514 . 1 1 322 322 LEU CA C 13 53.308 0.300 . 1 . . . . 322 LEU CA . 18246 1 1515 . 1 1 322 322 LEU CB C 13 46.878 0.300 . 1 . . . . 322 LEU CB . 18246 1 1516 . 1 1 322 322 LEU N N 15 121.882 0.300 . 1 . . . . 322 LEU N . 18246 1 1517 . 1 1 323 323 ALA H H 1 8.169 0.020 . 1 . . . . 323 ALA H . 18246 1 1518 . 1 1 323 323 ALA C C 13 172.722 0.300 . 1 . . . . 323 ALA C . 18246 1 1519 . 1 1 323 323 ALA CA C 13 50.847 0.300 . 1 . . . . 323 ALA CA . 18246 1 1520 . 1 1 323 323 ALA CB C 13 22.524 0.300 . 1 . . . . 323 ALA CB . 18246 1 1521 . 1 1 323 323 ALA N N 15 123.258 0.300 . 1 . . . . 323 ALA N . 18246 1 1522 . 1 1 324 324 PRO C C 13 176.271 0.300 . 1 . . . . 324 PRO C . 18246 1 1523 . 1 1 324 324 PRO CA C 13 62.465 0.300 . 1 . . . . 324 PRO CA . 18246 1 1524 . 1 1 324 324 PRO CB C 13 31.510 0.300 . 1 . . . . 324 PRO CB . 18246 1 1525 . 1 1 325 325 VAL H H 1 7.001 0.020 . 1 . . . . 325 VAL H . 18246 1 1526 . 1 1 325 325 VAL C C 13 175.756 0.300 . 1 . . . . 325 VAL C . 18246 1 1527 . 1 1 325 325 VAL CA C 13 61.835 0.300 . 1 . . . . 325 VAL CA . 18246 1 1528 . 1 1 325 325 VAL CB C 13 32.662 0.300 . 1 . . . . 325 VAL CB . 18246 1 1529 . 1 1 325 325 VAL N N 15 116.433 0.300 . 1 . . . . 325 VAL N . 18246 1 1530 . 1 1 326 326 ALA H H 1 7.289 0.020 . 1 . . . . 326 ALA H . 18246 1 1531 . 1 1 326 326 ALA C C 13 181.622 0.300 . 1 . . . . 326 ALA C . 18246 1 1532 . 1 1 326 326 ALA CA C 13 52.507 0.300 . 1 . . . . 326 ALA CA . 18246 1 1533 . 1 1 326 326 ALA CB C 13 18.817 0.300 . 1 . . . . 326 ALA CB . 18246 1 1534 . 1 1 326 326 ALA N N 15 130.209 0.300 . 1 . . . . 326 ALA N . 18246 1 stop_ save_