data_18245 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18245 _Entry.Title ; Backbone assignment of porcine pepsin ; _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' _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 . . . 18245 2 Yasumi Horimoto . . . 18245 3 Derek Dee . . . 18245 4 Rickey Yada . . . 18245 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18245 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 613 18245 '15N chemical shifts' 291 18245 '1H chemical shifts' 291 18245 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 . 18245 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18246 'Pepsin backbone assignment with pepstatin' 18245 BMRB 18247 'Pepsin backbone assignment without pepstatin' 18245 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18245 _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 . . . 18245 1 2 Yasumi Horimoto . . . 18245 1 3 Derek Dee . . . 18245 1 4 Rickey Yada . . . 18245 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18245 _Assembly.ID 1 _Assembly.Name 'porcine pepsin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34535.0 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Pepsin 1 $Pepsin A . yes native no no . . . 18245 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 . . . . . . . . . . 18245 1 2 disulfide single . 1 . 1 CYS 249 249 SG . 1 . 1 CYS 282 282 SG . . . . . . . . . . 18245 1 3 disulfide single . 1 . 1 CYS 206 206 SG . 1 . 1 CYS 210 210 SG . . . . . . . . . . 18245 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pepsin _Entity.Sf_category entity _Entity.Sf_framecode Pepsin _Entity.Entry_ID 18245 _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 18246 . Pepsin . . . . . 100.00 326 100.00 100.00 0.00e+00 . . . . 18245 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 . . . . 18245 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 . . . . 18245 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 . . . . 18245 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 . . . . 18245 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 . . . . 18245 1 7 no PDB 3PSG . "The High Resolution Crystal Structure Of Porcine Pepsinogen" . . . . . 100.00 370 99.69 100.00 0.00e+00 . . . . 18245 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 . . . . 18245 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 . . . . 18245 1 10 no GB AAA31095 . "pepsinogen precursor [Sus scrofa]" . . . . . 100.31 386 99.69 99.69 0.00e+00 . . . . 18245 1 11 no GB AAA31096 . "pepsinogen A precursor [Sus scrofa]" . . . . . 100.00 385 99.69 99.69 0.00e+00 . . . . 18245 1 12 no GB ABM47074 . "pepsinogen A [Sus scrofa]" . . . . . 100.00 385 99.08 99.08 0.00e+00 . . . . 18245 1 13 no REF NP_999038 . "pepsin A preproprotein [Sus scrofa]" . . . . . 100.00 385 99.08 99.08 0.00e+00 . . . . 18245 1 14 no SP P00791 . "RecName: Full=Pepsin A; Flags: Precursor" . . . . . 100.00 385 100.00 100.00 0.00e+00 . . . . 18245 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 . ILE . 18245 1 2 . GLY . 18245 1 3 . ASP . 18245 1 4 . GLU . 18245 1 5 . PRO . 18245 1 6 . LEU . 18245 1 7 . GLU . 18245 1 8 . ASN . 18245 1 9 . TYR . 18245 1 10 . LEU . 18245 1 11 . ASP . 18245 1 12 . THR . 18245 1 13 . GLU . 18245 1 14 . TYR . 18245 1 15 . PHE . 18245 1 16 . GLY . 18245 1 17 . THR . 18245 1 18 . ILE . 18245 1 19 . GLY . 18245 1 20 . ILE . 18245 1 21 . GLY . 18245 1 22 . THR . 18245 1 23 . PRO . 18245 1 24 . ALA . 18245 1 25 . GLN . 18245 1 26 . ASP . 18245 1 27 . PHE . 18245 1 28 . THR . 18245 1 29 . VAL . 18245 1 30 . ILE . 18245 1 31 . PHE . 18245 1 32 . ASP . 18245 1 33 . THR . 18245 1 34 . GLY . 18245 1 35 . SER . 18245 1 36 . SER . 18245 1 37 . ASN . 18245 1 38 . LEU . 18245 1 39 . TRP . 18245 1 40 . VAL . 18245 1 41 . PRO . 18245 1 42 . SER . 18245 1 43 . VAL . 18245 1 44 . TYR . 18245 1 45 . CYS . 18245 1 46 . SER . 18245 1 47 . SER . 18245 1 48 . LEU . 18245 1 49 . ALA . 18245 1 50 . CYS . 18245 1 51 . SER . 18245 1 52 . ASP . 18245 1 53 . HIS . 18245 1 54 . ASN . 18245 1 55 . GLN . 18245 1 56 . PHE . 18245 1 57 . ASN . 18245 1 58 . PRO . 18245 1 59 . ASP . 18245 1 60 . ASP . 18245 1 61 . SER . 18245 1 62 . SER . 18245 1 63 . THR . 18245 1 64 . PHE . 18245 1 65 . GLU . 18245 1 66 . ALA . 18245 1 67 . THR . 18245 1 68 . SER . 18245 1 69 . GLN . 18245 1 70 . GLU . 18245 1 71 . LEU . 18245 1 72 . SER . 18245 1 73 . ILE . 18245 1 74 . THR . 18245 1 75 . TYR . 18245 1 76 . GLY . 18245 1 77 . THR . 18245 1 78 . GLY . 18245 1 79 . SER . 18245 1 80 . MET . 18245 1 81 . THR . 18245 1 82 . GLY . 18245 1 83 . ILE . 18245 1 84 . LEU . 18245 1 85 . GLY . 18245 1 86 . TYR . 18245 1 87 . ASP . 18245 1 88 . THR . 18245 1 89 . VAL . 18245 1 90 . GLN . 18245 1 91 . VAL . 18245 1 92 . GLY . 18245 1 93 . GLY . 18245 1 94 . ILE . 18245 1 95 . SER . 18245 1 96 . ASP . 18245 1 97 . THR . 18245 1 98 . ASN . 18245 1 99 . GLN . 18245 1 100 . ILE . 18245 1 101 . PHE . 18245 1 102 . GLY . 18245 1 103 . LEU . 18245 1 104 . SER . 18245 1 105 . GLU . 18245 1 106 . THR . 18245 1 107 . GLU . 18245 1 108 . PRO . 18245 1 109 . GLY . 18245 1 110 . SER . 18245 1 111 . PHE . 18245 1 112 . LEU . 18245 1 113 . TYR . 18245 1 114 . TYR . 18245 1 115 . ALA . 18245 1 116 . PRO . 18245 1 117 . PHE . 18245 1 118 . ASP . 18245 1 119 . GLY . 18245 1 120 . ILE . 18245 1 121 . LEU . 18245 1 122 . GLY . 18245 1 123 . LEU . 18245 1 124 . ALA . 18245 1 125 . TYR . 18245 1 126 . PRO . 18245 1 127 . SER . 18245 1 128 . ILE . 18245 1 129 . SER . 18245 1 130 . ALA . 18245 1 131 . SER . 18245 1 132 . GLY . 18245 1 133 . ALA . 18245 1 134 . THR . 18245 1 135 . PRO . 18245 1 136 . VAL . 18245 1 137 . PHE . 18245 1 138 . ASP . 18245 1 139 . ASN . 18245 1 140 . LEU . 18245 1 141 . TRP . 18245 1 142 . ASP . 18245 1 143 . GLN . 18245 1 144 . GLY . 18245 1 145 . LEU . 18245 1 146 . VAL . 18245 1 147 . SER . 18245 1 148 . GLN . 18245 1 149 . ASP . 18245 1 150 . LEU . 18245 1 151 . PHE . 18245 1 152 . SER . 18245 1 153 . VAL . 18245 1 154 . TYR . 18245 1 155 . LEU . 18245 1 156 . SER . 18245 1 157 . SER . 18245 1 158 . ASN . 18245 1 159 . ASP . 18245 1 160 . ASP . 18245 1 161 . SER . 18245 1 162 . GLY . 18245 1 163 . SER . 18245 1 164 . VAL . 18245 1 165 . VAL . 18245 1 166 . LEU . 18245 1 167 . LEU . 18245 1 168 . GLY . 18245 1 169 . GLY . 18245 1 170 . ILE . 18245 1 171 . ASP . 18245 1 172 . SER . 18245 1 173 . SER . 18245 1 174 . TYR . 18245 1 175 . TYR . 18245 1 176 . THR . 18245 1 177 . GLY . 18245 1 178 . SER . 18245 1 179 . LEU . 18245 1 180 . ASN . 18245 1 181 . TRP . 18245 1 182 . VAL . 18245 1 183 . PRO . 18245 1 184 . VAL . 18245 1 185 . SER . 18245 1 186 . VAL . 18245 1 187 . GLU . 18245 1 188 . GLY . 18245 1 189 . TYR . 18245 1 190 . TRP . 18245 1 191 . GLN . 18245 1 192 . ILE . 18245 1 193 . THR . 18245 1 194 . LEU . 18245 1 195 . ASP . 18245 1 196 . SER . 18245 1 197 . ILE . 18245 1 198 . THR . 18245 1 199 . MET . 18245 1 200 . ASP . 18245 1 201 . GLY . 18245 1 202 . GLU . 18245 1 203 . THR . 18245 1 204 . ILE . 18245 1 205 . ALA . 18245 1 206 . CYS . 18245 1 207 . SER . 18245 1 208 . GLY . 18245 1 209 . GLY . 18245 1 210 . CYS . 18245 1 211 . GLN . 18245 1 212 . ALA . 18245 1 213 . ILE . 18245 1 214 . VAL . 18245 1 215 . ASP . 18245 1 216 . THR . 18245 1 217 . GLY . 18245 1 218 . THR . 18245 1 219 . SER . 18245 1 220 . LEU . 18245 1 221 . LEU . 18245 1 222 . THR . 18245 1 223 . GLY . 18245 1 224 . PRO . 18245 1 225 . THR . 18245 1 226 . SER . 18245 1 227 . ALA . 18245 1 228 . ILE . 18245 1 229 . ALA . 18245 1 230 . ASN . 18245 1 231 . ILE . 18245 1 232 . GLN . 18245 1 233 . SER . 18245 1 234 . ASP . 18245 1 235 . ILE . 18245 1 236 . GLY . 18245 1 237 . ALA . 18245 1 238 . SER . 18245 1 239 . GLU . 18245 1 240 . ASN . 18245 1 241 . SER . 18245 1 242 . ASP . 18245 1 243 . GLY . 18245 1 244 . GLU . 18245 1 245 . MET . 18245 1 246 . VAL . 18245 1 247 . ILE . 18245 1 248 . SER . 18245 1 249 . CYS . 18245 1 250 . SER . 18245 1 251 . SER . 18245 1 252 . ILE . 18245 1 253 . ASP . 18245 1 254 . SER . 18245 1 255 . LEU . 18245 1 256 . PRO . 18245 1 257 . ASP . 18245 1 258 . ILE . 18245 1 259 . VAL . 18245 1 260 . PHE . 18245 1 261 . THR . 18245 1 262 . ILE . 18245 1 263 . ASN . 18245 1 264 . GLY . 18245 1 265 . VAL . 18245 1 266 . GLN . 18245 1 267 . TYR . 18245 1 268 . PRO . 18245 1 269 . LEU . 18245 1 270 . SER . 18245 1 271 . PRO . 18245 1 272 . SER . 18245 1 273 . ALA . 18245 1 274 . TYR . 18245 1 275 . ILE . 18245 1 276 . LEU . 18245 1 277 . GLN . 18245 1 278 . ASP . 18245 1 279 . ASP . 18245 1 280 . ASP . 18245 1 281 . SER . 18245 1 282 . CYS . 18245 1 283 . THR . 18245 1 284 . SER . 18245 1 285 . GLY . 18245 1 286 . PHE . 18245 1 287 . GLU . 18245 1 288 . GLY . 18245 1 289 . MET . 18245 1 290 . ASP . 18245 1 291 . VAL . 18245 1 292 . PRO . 18245 1 293 . THR . 18245 1 294 . SER . 18245 1 295 . SER . 18245 1 296 . GLY . 18245 1 297 . GLU . 18245 1 298 . LEU . 18245 1 299 . TRP . 18245 1 300 . ILE . 18245 1 301 . LEU . 18245 1 302 . GLY . 18245 1 303 . ASP . 18245 1 304 . VAL . 18245 1 305 . PHE . 18245 1 306 . ILE . 18245 1 307 . ARG . 18245 1 308 . GLN . 18245 1 309 . TYR . 18245 1 310 . TYR . 18245 1 311 . THR . 18245 1 312 . VAL . 18245 1 313 . PHE . 18245 1 314 . ASP . 18245 1 315 . ARG . 18245 1 316 . ALA . 18245 1 317 . ASN . 18245 1 318 . ASN . 18245 1 319 . LYS . 18245 1 320 . VAL . 18245 1 321 . GLY . 18245 1 322 . LEU . 18245 1 323 . ALA . 18245 1 324 . PRO . 18245 1 325 . VAL . 18245 1 326 . ALA . 18245 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 18245 1 . GLY 2 2 18245 1 . ASP 3 3 18245 1 . GLU 4 4 18245 1 . PRO 5 5 18245 1 . LEU 6 6 18245 1 . GLU 7 7 18245 1 . ASN 8 8 18245 1 . TYR 9 9 18245 1 . LEU 10 10 18245 1 . ASP 11 11 18245 1 . THR 12 12 18245 1 . GLU 13 13 18245 1 . TYR 14 14 18245 1 . PHE 15 15 18245 1 . GLY 16 16 18245 1 . THR 17 17 18245 1 . ILE 18 18 18245 1 . GLY 19 19 18245 1 . ILE 20 20 18245 1 . GLY 21 21 18245 1 . THR 22 22 18245 1 . PRO 23 23 18245 1 . ALA 24 24 18245 1 . GLN 25 25 18245 1 . ASP 26 26 18245 1 . PHE 27 27 18245 1 . THR 28 28 18245 1 . VAL 29 29 18245 1 . ILE 30 30 18245 1 . PHE 31 31 18245 1 . ASP 32 32 18245 1 . THR 33 33 18245 1 . GLY 34 34 18245 1 . SER 35 35 18245 1 . SER 36 36 18245 1 . ASN 37 37 18245 1 . LEU 38 38 18245 1 . TRP 39 39 18245 1 . VAL 40 40 18245 1 . PRO 41 41 18245 1 . SER 42 42 18245 1 . VAL 43 43 18245 1 . TYR 44 44 18245 1 . CYS 45 45 18245 1 . SER 46 46 18245 1 . SER 47 47 18245 1 . LEU 48 48 18245 1 . ALA 49 49 18245 1 . CYS 50 50 18245 1 . SER 51 51 18245 1 . ASP 52 52 18245 1 . HIS 53 53 18245 1 . ASN 54 54 18245 1 . GLN 55 55 18245 1 . PHE 56 56 18245 1 . ASN 57 57 18245 1 . PRO 58 58 18245 1 . ASP 59 59 18245 1 . ASP 60 60 18245 1 . SER 61 61 18245 1 . SER 62 62 18245 1 . THR 63 63 18245 1 . PHE 64 64 18245 1 . GLU 65 65 18245 1 . ALA 66 66 18245 1 . THR 67 67 18245 1 . SER 68 68 18245 1 . GLN 69 69 18245 1 . GLU 70 70 18245 1 . LEU 71 71 18245 1 . SER 72 72 18245 1 . ILE 73 73 18245 1 . THR 74 74 18245 1 . TYR 75 75 18245 1 . GLY 76 76 18245 1 . THR 77 77 18245 1 . GLY 78 78 18245 1 . SER 79 79 18245 1 . MET 80 80 18245 1 . THR 81 81 18245 1 . GLY 82 82 18245 1 . ILE 83 83 18245 1 . LEU 84 84 18245 1 . GLY 85 85 18245 1 . TYR 86 86 18245 1 . ASP 87 87 18245 1 . THR 88 88 18245 1 . VAL 89 89 18245 1 . GLN 90 90 18245 1 . VAL 91 91 18245 1 . GLY 92 92 18245 1 . GLY 93 93 18245 1 . ILE 94 94 18245 1 . SER 95 95 18245 1 . ASP 96 96 18245 1 . THR 97 97 18245 1 . ASN 98 98 18245 1 . GLN 99 99 18245 1 . ILE 100 100 18245 1 . PHE 101 101 18245 1 . GLY 102 102 18245 1 . LEU 103 103 18245 1 . SER 104 104 18245 1 . GLU 105 105 18245 1 . THR 106 106 18245 1 . GLU 107 107 18245 1 . PRO 108 108 18245 1 . GLY 109 109 18245 1 . SER 110 110 18245 1 . PHE 111 111 18245 1 . LEU 112 112 18245 1 . TYR 113 113 18245 1 . TYR 114 114 18245 1 . ALA 115 115 18245 1 . PRO 116 116 18245 1 . PHE 117 117 18245 1 . ASP 118 118 18245 1 . GLY 119 119 18245 1 . ILE 120 120 18245 1 . LEU 121 121 18245 1 . GLY 122 122 18245 1 . LEU 123 123 18245 1 . ALA 124 124 18245 1 . TYR 125 125 18245 1 . PRO 126 126 18245 1 . SER 127 127 18245 1 . ILE 128 128 18245 1 . SER 129 129 18245 1 . ALA 130 130 18245 1 . SER 131 131 18245 1 . GLY 132 132 18245 1 . ALA 133 133 18245 1 . THR 134 134 18245 1 . PRO 135 135 18245 1 . VAL 136 136 18245 1 . PHE 137 137 18245 1 . ASP 138 138 18245 1 . ASN 139 139 18245 1 . LEU 140 140 18245 1 . TRP 141 141 18245 1 . ASP 142 142 18245 1 . GLN 143 143 18245 1 . GLY 144 144 18245 1 . LEU 145 145 18245 1 . VAL 146 146 18245 1 . SER 147 147 18245 1 . GLN 148 148 18245 1 . ASP 149 149 18245 1 . LEU 150 150 18245 1 . PHE 151 151 18245 1 . SER 152 152 18245 1 . VAL 153 153 18245 1 . TYR 154 154 18245 1 . LEU 155 155 18245 1 . SER 156 156 18245 1 . SER 157 157 18245 1 . ASN 158 158 18245 1 . ASP 159 159 18245 1 . ASP 160 160 18245 1 . SER 161 161 18245 1 . GLY 162 162 18245 1 . SER 163 163 18245 1 . VAL 164 164 18245 1 . VAL 165 165 18245 1 . LEU 166 166 18245 1 . LEU 167 167 18245 1 . GLY 168 168 18245 1 . GLY 169 169 18245 1 . ILE 170 170 18245 1 . ASP 171 171 18245 1 . SER 172 172 18245 1 . SER 173 173 18245 1 . TYR 174 174 18245 1 . TYR 175 175 18245 1 . THR 176 176 18245 1 . GLY 177 177 18245 1 . SER 178 178 18245 1 . LEU 179 179 18245 1 . ASN 180 180 18245 1 . TRP 181 181 18245 1 . VAL 182 182 18245 1 . PRO 183 183 18245 1 . VAL 184 184 18245 1 . SER 185 185 18245 1 . VAL 186 186 18245 1 . GLU 187 187 18245 1 . GLY 188 188 18245 1 . TYR 189 189 18245 1 . TRP 190 190 18245 1 . GLN 191 191 18245 1 . ILE 192 192 18245 1 . THR 193 193 18245 1 . LEU 194 194 18245 1 . ASP 195 195 18245 1 . SER 196 196 18245 1 . ILE 197 197 18245 1 . THR 198 198 18245 1 . MET 199 199 18245 1 . ASP 200 200 18245 1 . GLY 201 201 18245 1 . GLU 202 202 18245 1 . THR 203 203 18245 1 . ILE 204 204 18245 1 . ALA 205 205 18245 1 . CYS 206 206 18245 1 . SER 207 207 18245 1 . GLY 208 208 18245 1 . GLY 209 209 18245 1 . CYS 210 210 18245 1 . GLN 211 211 18245 1 . ALA 212 212 18245 1 . ILE 213 213 18245 1 . VAL 214 214 18245 1 . ASP 215 215 18245 1 . THR 216 216 18245 1 . GLY 217 217 18245 1 . THR 218 218 18245 1 . SER 219 219 18245 1 . LEU 220 220 18245 1 . LEU 221 221 18245 1 . THR 222 222 18245 1 . GLY 223 223 18245 1 . PRO 224 224 18245 1 . THR 225 225 18245 1 . SER 226 226 18245 1 . ALA 227 227 18245 1 . ILE 228 228 18245 1 . ALA 229 229 18245 1 . ASN 230 230 18245 1 . ILE 231 231 18245 1 . GLN 232 232 18245 1 . SER 233 233 18245 1 . ASP 234 234 18245 1 . ILE 235 235 18245 1 . GLY 236 236 18245 1 . ALA 237 237 18245 1 . SER 238 238 18245 1 . GLU 239 239 18245 1 . ASN 240 240 18245 1 . SER 241 241 18245 1 . ASP 242 242 18245 1 . GLY 243 243 18245 1 . GLU 244 244 18245 1 . MET 245 245 18245 1 . VAL 246 246 18245 1 . ILE 247 247 18245 1 . SER 248 248 18245 1 . CYS 249 249 18245 1 . SER 250 250 18245 1 . SER 251 251 18245 1 . ILE 252 252 18245 1 . ASP 253 253 18245 1 . SER 254 254 18245 1 . LEU 255 255 18245 1 . PRO 256 256 18245 1 . ASP 257 257 18245 1 . ILE 258 258 18245 1 . VAL 259 259 18245 1 . PHE 260 260 18245 1 . THR 261 261 18245 1 . ILE 262 262 18245 1 . ASN 263 263 18245 1 . GLY 264 264 18245 1 . VAL 265 265 18245 1 . GLN 266 266 18245 1 . TYR 267 267 18245 1 . PRO 268 268 18245 1 . LEU 269 269 18245 1 . SER 270 270 18245 1 . PRO 271 271 18245 1 . SER 272 272 18245 1 . ALA 273 273 18245 1 . TYR 274 274 18245 1 . ILE 275 275 18245 1 . LEU 276 276 18245 1 . GLN 277 277 18245 1 . ASP 278 278 18245 1 . ASP 279 279 18245 1 . ASP 280 280 18245 1 . SER 281 281 18245 1 . CYS 282 282 18245 1 . THR 283 283 18245 1 . SER 284 284 18245 1 . GLY 285 285 18245 1 . PHE 286 286 18245 1 . GLU 287 287 18245 1 . GLY 288 288 18245 1 . MET 289 289 18245 1 . ASP 290 290 18245 1 . VAL 291 291 18245 1 . PRO 292 292 18245 1 . THR 293 293 18245 1 . SER 294 294 18245 1 . SER 295 295 18245 1 . GLY 296 296 18245 1 . GLU 297 297 18245 1 . LEU 298 298 18245 1 . TRP 299 299 18245 1 . ILE 300 300 18245 1 . LEU 301 301 18245 1 . GLY 302 302 18245 1 . ASP 303 303 18245 1 . VAL 304 304 18245 1 . PHE 305 305 18245 1 . ILE 306 306 18245 1 . ARG 307 307 18245 1 . GLN 308 308 18245 1 . TYR 309 309 18245 1 . TYR 310 310 18245 1 . THR 311 311 18245 1 . VAL 312 312 18245 1 . PHE 313 313 18245 1 . ASP 314 314 18245 1 . ARG 315 315 18245 1 . ALA 316 316 18245 1 . ASN 317 317 18245 1 . ASN 318 318 18245 1 . LYS 319 319 18245 1 . VAL 320 320 18245 1 . GLY 321 321 18245 1 . LEU 322 322 18245 1 . ALA 323 323 18245 1 . PRO 324 324 18245 1 . VAL 325 325 18245 1 . ALA 326 326 18245 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 18245 _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 . . . . . . . . . . . . . . . . . . . . . 18245 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 18245 _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 . . . . . . 18245 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18245 _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 . . . . 18245 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18245 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18245 1 4 NaOAc 'natural abundance' . . . . . . 20 . . mM . . . . 18245 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18245 _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 . . . . 18245 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18245 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18245 2 4 NaOAc 'natural abundance' . . . . . . 20 . . mM . . . . 18245 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 18245 _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 18245 1 pH 5.3 . pH 18245 1 pressure 1 . atm 18245 1 temperature 295 . K 18245 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18245 _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' . . 18245 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18245 1 processing 18245 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18245 _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' . . 18245 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18245 2 'data analysis' 18245 2 'peak picking' 18245 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 18245 _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 18245 _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 . . . 18245 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 18245 _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 . . . . . . . . . . . . . . . . 18245 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18245 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18245 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 18245 _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 . . . . . . . . . 18245 1 H 1 TSP 'methyl protons' . . . . ppm 0.10 internal direct 1.000000000 . . . . . . . . . 18245 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18245 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 18245 _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' . . . 18245 1 2 '3D HNCA' . . . 18245 1 3 '3D HNCO' . . . 18245 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 . 18245 1 2 . 1 1 1 1 ILE CA C 13 60.537 0.300 . 1 . . . . 1 ILE CA . 18245 1 3 . 1 1 2 2 GLY H H 1 8.667 0.020 . 1 . . . . 2 GLY H . 18245 1 4 . 1 1 2 2 GLY C C 13 172.231 0.300 . 1 . . . . 2 GLY C . 18245 1 5 . 1 1 2 2 GLY CA C 13 45.582 0.300 . 1 . . . . 2 GLY CA . 18245 1 6 . 1 1 2 2 GLY N N 15 113.710 0.300 . 1 . . . . 2 GLY N . 18245 1 7 . 1 1 3 3 ASP H H 1 8.798 0.020 . 1 . . . . 3 ASP H . 18245 1 8 . 1 1 3 3 ASP C C 13 173.409 0.300 . 1 . . . . 3 ASP C . 18245 1 9 . 1 1 3 3 ASP CA C 13 52.434 0.300 . 1 . . . . 3 ASP CA . 18245 1 10 . 1 1 3 3 ASP N N 15 119.760 0.300 . 1 . . . . 3 ASP N . 18245 1 11 . 1 1 4 4 GLU H H 1 9.035 0.020 . 1 . . . . 4 GLU H . 18245 1 12 . 1 1 4 4 GLU CA C 13 50.618 0.300 . 1 . . . . 4 GLU CA . 18245 1 13 . 1 1 4 4 GLU N N 15 127.036 0.300 . 1 . . . . 4 GLU N . 18245 1 14 . 1 1 5 5 PRO C C 13 176.397 0.300 . 1 . . . . 5 PRO C . 18245 1 15 . 1 1 5 5 PRO CA C 13 62.500 0.300 . 1 . . . . 5 PRO CA . 18245 1 16 . 1 1 6 6 LEU H H 1 7.724 0.020 . 1 . . . . 6 LEU H . 18245 1 17 . 1 1 6 6 LEU C C 13 176.939 0.300 . 1 . . . . 6 LEU C . 18245 1 18 . 1 1 6 6 LEU CA C 13 51.655 0.300 . 1 . . . . 6 LEU CA . 18245 1 19 . 1 1 6 6 LEU N N 15 119.597 0.300 . 1 . . . . 6 LEU N . 18245 1 20 . 1 1 7 7 GLU H H 1 9.409 0.020 . 1 . . . . 7 GLU H . 18245 1 21 . 1 1 7 7 GLU C C 13 173.581 0.300 . 1 . . . . 7 GLU C . 18245 1 22 . 1 1 7 7 GLU CA C 13 54.461 0.300 . 1 . . . . 7 GLU CA . 18245 1 23 . 1 1 7 7 GLU N N 15 125.743 0.300 . 1 . . . . 7 GLU N . 18245 1 24 . 1 1 8 8 ASN H H 1 8.175 0.020 . 1 . . . . 8 ASN H . 18245 1 25 . 1 1 8 8 ASN C C 13 174.522 0.300 . 1 . . . . 8 ASN C . 18245 1 26 . 1 1 8 8 ASN CA C 13 50.832 0.300 . 1 . . . . 8 ASN CA . 18245 1 27 . 1 1 8 8 ASN N N 15 122.293 0.300 . 1 . . . . 8 ASN N . 18245 1 28 . 1 1 9 9 TYR H H 1 8.336 0.020 . 1 . . . . 9 TYR H . 18245 1 29 . 1 1 9 9 TYR C C 13 173.952 0.300 . 1 . . . . 9 TYR C . 18245 1 30 . 1 1 9 9 TYR CA C 13 56.575 0.300 . 1 . . . . 9 TYR CA . 18245 1 31 . 1 1 9 9 TYR N N 15 128.573 0.300 . 1 . . . . 9 TYR N . 18245 1 32 . 1 1 10 10 LEU H H 1 8.336 0.020 . 1 . . . . 10 LEU H . 18245 1 33 . 1 1 10 10 LEU C C 13 176.419 0.300 . 1 . . . . 10 LEU C . 18245 1 34 . 1 1 10 10 LEU CA C 13 55.410 0.300 . 1 . . . . 10 LEU CA . 18245 1 35 . 1 1 10 10 LEU N N 15 124.484 0.300 . 1 . . . . 10 LEU N . 18245 1 36 . 1 1 11 11 ASP H H 1 8.890 0.020 . 1 . . . . 11 ASP H . 18245 1 37 . 1 1 11 11 ASP C C 13 175.705 0.300 . 1 . . . . 11 ASP C . 18245 1 38 . 1 1 11 11 ASP CA C 13 54.594 0.300 . 1 . . . . 11 ASP CA . 18245 1 39 . 1 1 11 11 ASP N N 15 117.553 0.300 . 1 . . . . 11 ASP N . 18245 1 40 . 1 1 12 12 THR H H 1 8.661 0.020 . 1 . . . . 12 THR H . 18245 1 41 . 1 1 12 12 THR C C 13 173.432 0.300 . 1 . . . . 12 THR C . 18245 1 42 . 1 1 12 12 THR CA C 13 64.010 0.300 . 1 . . . . 12 THR CA . 18245 1 43 . 1 1 12 12 THR N N 15 113.103 0.300 . 1 . . . . 12 THR N . 18245 1 44 . 1 1 13 13 GLU H H 1 7.589 0.020 . 1 . . . . 13 GLU H . 18245 1 45 . 1 1 13 13 GLU C C 13 172.685 0.300 . 1 . . . . 13 GLU C . 18245 1 46 . 1 1 13 13 GLU CA C 13 54.237 0.300 . 1 . . . . 13 GLU CA . 18245 1 47 . 1 1 13 13 GLU N N 15 119.167 0.300 . 1 . . . . 13 GLU N . 18245 1 48 . 1 1 14 14 TYR H H 1 8.548 0.020 . 1 . . . . 14 TYR H . 18245 1 49 . 1 1 14 14 TYR C C 13 174.828 0.300 . 1 . . . . 14 TYR C . 18245 1 50 . 1 1 14 14 TYR CA C 13 55.868 0.300 . 1 . . . . 14 TYR CA . 18245 1 51 . 1 1 14 14 TYR N N 15 120.775 0.300 . 1 . . . . 14 TYR N . 18245 1 52 . 1 1 15 15 PHE H H 1 7.466 0.020 . 1 . . . . 15 PHE H . 18245 1 53 . 1 1 15 15 PHE C C 13 173.724 0.300 . 1 . . . . 15 PHE C . 18245 1 54 . 1 1 15 15 PHE CA C 13 53.263 0.300 . 1 . . . . 15 PHE CA . 18245 1 55 . 1 1 15 15 PHE N N 15 117.691 0.300 . 1 . . . . 15 PHE N . 18245 1 56 . 1 1 16 16 GLY H H 1 9.008 0.020 . 1 . . . . 16 GLY H . 18245 1 57 . 1 1 16 16 GLY C C 13 172.798 0.300 . 1 . . . . 16 GLY C . 18245 1 58 . 1 1 16 16 GLY CA C 13 43.636 0.300 . 1 . . . . 16 GLY CA . 18245 1 59 . 1 1 16 16 GLY N N 15 107.593 0.300 . 1 . . . . 16 GLY N . 18245 1 60 . 1 1 17 17 THR H H 1 9.035 0.020 . 1 . . . . 17 THR H . 18245 1 61 . 1 1 17 17 THR C C 13 176.929 0.300 . 1 . . . . 17 THR C . 18245 1 62 . 1 1 17 17 THR CA C 13 62.694 0.300 . 1 . . . . 17 THR CA . 18245 1 63 . 1 1 17 17 THR N N 15 117.418 0.300 . 1 . . . . 17 THR N . 18245 1 64 . 1 1 18 18 ILE H H 1 9.545 0.020 . 1 . . . . 18 ILE H . 18245 1 65 . 1 1 18 18 ILE C C 13 173.141 0.300 . 1 . . . . 18 ILE C . 18245 1 66 . 1 1 18 18 ILE CA C 13 59.797 0.300 . 1 . . . . 18 ILE CA . 18245 1 67 . 1 1 18 18 ILE N N 15 124.810 0.300 . 1 . . . . 18 ILE N . 18245 1 68 . 1 1 19 19 GLY H H 1 8.415 0.020 . 1 . . . . 19 GLY H . 18245 1 69 . 1 1 19 19 GLY C C 13 173.380 0.300 . 1 . . . . 19 GLY C . 18245 1 70 . 1 1 19 19 GLY CA C 13 43.587 0.300 . 1 . . . . 19 GLY CA . 18245 1 71 . 1 1 19 19 GLY N N 15 108.660 0.300 . 1 . . . . 19 GLY N . 18245 1 72 . 1 1 20 20 ILE H H 1 9.766 0.020 . 1 . . . . 20 ILE H . 18245 1 73 . 1 1 20 20 ILE C C 13 177.199 0.300 . 1 . . . . 20 ILE C . 18245 1 74 . 1 1 20 20 ILE CA C 13 61.316 0.300 . 1 . . . . 20 ILE CA . 18245 1 75 . 1 1 20 20 ILE N N 15 124.152 0.300 . 1 . . . . 20 ILE N . 18245 1 76 . 1 1 21 21 GLY H H 1 8.207 0.020 . 1 . . . . 21 GLY H . 18245 1 77 . 1 1 21 21 GLY C C 13 174.325 0.300 . 1 . . . . 21 GLY C . 18245 1 78 . 1 1 21 21 GLY CA C 13 42.262 0.300 . 1 . . . . 21 GLY CA . 18245 1 79 . 1 1 21 21 GLY N N 15 114.524 0.300 . 1 . . . . 21 GLY N . 18245 1 80 . 1 1 22 22 THR H H 1 7.962 0.020 . 1 . . . . 22 THR H . 18245 1 81 . 1 1 22 22 THR CA C 13 59.661 0.300 . 1 . . . . 22 THR CA . 18245 1 82 . 1 1 22 22 THR N N 15 114.177 0.300 . 1 . . . . 22 THR N . 18245 1 83 . 1 1 23 23 PRO C C 13 175.970 0.300 . 1 . . . . 23 PRO C . 18245 1 84 . 1 1 23 23 PRO CA C 13 62.793 0.300 . 1 . . . . 23 PRO CA . 18245 1 85 . 1 1 24 24 ALA H H 1 8.256 0.020 . 1 . . . . 24 ALA H . 18245 1 86 . 1 1 24 24 ALA C C 13 178.445 0.300 . 1 . . . . 24 ALA C . 18245 1 87 . 1 1 24 24 ALA CA C 13 54.281 0.300 . 1 . . . . 24 ALA CA . 18245 1 88 . 1 1 24 24 ALA N N 15 122.139 0.300 . 1 . . . . 24 ALA N . 18245 1 89 . 1 1 25 25 GLN H H 1 8.676 0.020 . 1 . . . . 25 GLN H . 18245 1 90 . 1 1 25 25 GLN C C 13 174.796 0.300 . 1 . . . . 25 GLN C . 18245 1 91 . 1 1 25 25 GLN CA C 13 54.552 0.300 . 1 . . . . 25 GLN CA . 18245 1 92 . 1 1 25 25 GLN N N 15 125.352 0.300 . 1 . . . . 25 GLN N . 18245 1 93 . 1 1 26 26 ASP H H 1 8.096 0.020 . 1 . . . . 26 ASP H . 18245 1 94 . 1 1 26 26 ASP C C 13 174.926 0.300 . 1 . . . . 26 ASP C . 18245 1 95 . 1 1 26 26 ASP CA C 13 53.261 0.300 . 1 . . . . 26 ASP CA . 18245 1 96 . 1 1 26 26 ASP N N 15 123.274 0.300 . 1 . . . . 26 ASP N . 18245 1 97 . 1 1 27 27 PHE H H 1 8.733 0.020 . 1 . . . . 27 PHE H . 18245 1 98 . 1 1 27 27 PHE C C 13 174.796 0.300 . 1 . . . . 27 PHE C . 18245 1 99 . 1 1 27 27 PHE CA C 13 56.859 0.300 . 1 . . . . 27 PHE CA . 18245 1 100 . 1 1 27 27 PHE N N 15 117.037 0.300 . 1 . . . . 27 PHE N . 18245 1 101 . 1 1 28 28 THR H H 1 9.723 0.020 . 1 . . . . 28 THR H . 18245 1 102 . 1 1 28 28 THR C C 13 176.030 0.300 . 1 . . . . 28 THR C . 18245 1 103 . 1 1 28 28 THR CA C 13 59.546 0.300 . 1 . . . . 28 THR CA . 18245 1 104 . 1 1 28 28 THR N N 15 114.894 0.300 . 1 . . . . 28 THR N . 18245 1 105 . 1 1 29 29 VAL H H 1 9.400 0.020 . 1 . . . . 29 VAL H . 18245 1 106 . 1 1 29 29 VAL C C 13 175.887 0.300 . 1 . . . . 29 VAL C . 18245 1 107 . 1 1 29 29 VAL CA C 13 56.666 0.300 . 1 . . . . 29 VAL CA . 18245 1 108 . 1 1 29 29 VAL N N 15 115.828 0.300 . 1 . . . . 29 VAL N . 18245 1 109 . 1 1 30 30 ILE H H 1 7.233 0.020 . 1 . . . . 30 ILE H . 18245 1 110 . 1 1 30 30 ILE C C 13 175.705 0.300 . 1 . . . . 30 ILE C . 18245 1 111 . 1 1 30 30 ILE CA C 13 60.407 0.300 . 1 . . . . 30 ILE CA . 18245 1 112 . 1 1 30 30 ILE N N 15 120.421 0.300 . 1 . . . . 30 ILE N . 18245 1 113 . 1 1 31 31 PHE H H 1 7.507 0.020 . 1 . . . . 31 PHE H . 18245 1 114 . 1 1 31 31 PHE C C 13 174.893 0.300 . 1 . . . . 31 PHE C . 18245 1 115 . 1 1 31 31 PHE CA C 13 57.744 0.300 . 1 . . . . 31 PHE CA . 18245 1 116 . 1 1 31 31 PHE N N 15 128.279 0.300 . 1 . . . . 31 PHE N . 18245 1 117 . 1 1 32 32 ASP H H 1 8.386 0.020 . 1 . . . . 32 ASP H . 18245 1 118 . 1 1 32 32 ASP C C 13 176.354 0.300 . 1 . . . . 32 ASP C . 18245 1 119 . 1 1 32 32 ASP CA C 13 53.006 0.300 . 1 . . . . 32 ASP CA . 18245 1 120 . 1 1 32 32 ASP N N 15 126.562 0.300 . 1 . . . . 32 ASP N . 18245 1 121 . 1 1 33 33 THR H H 1 8.938 0.020 . 1 . . . . 33 THR H . 18245 1 122 . 1 1 33 33 THR C C 13 174.146 0.300 . 1 . . . . 33 THR C . 18245 1 123 . 1 1 33 33 THR CA C 13 64.498 0.300 . 1 . . . . 33 THR CA . 18245 1 124 . 1 1 33 33 THR N N 15 117.227 0.300 . 1 . . . . 33 THR N . 18245 1 125 . 1 1 34 34 GLY H H 1 8.730 0.020 . 1 . . . . 34 GLY H . 18245 1 126 . 1 1 34 34 GLY CA C 13 44.780 0.300 . 1 . . . . 34 GLY CA . 18245 1 127 . 1 1 34 34 GLY N N 15 113.955 0.300 . 1 . . . . 34 GLY N . 18245 1 128 . 1 1 35 35 SER C C 13 174.504 0.300 . 1 . . . . 35 SER C . 18245 1 129 . 1 1 35 35 SER CA C 13 58.443 0.300 . 1 . . . . 35 SER CA . 18245 1 130 . 1 1 36 36 SER H H 1 9.127 0.020 . 1 . . . . 36 SER H . 18245 1 131 . 1 1 36 36 SER C C 13 172.912 0.300 . 1 . . . . 36 SER C . 18245 1 132 . 1 1 36 36 SER CA C 13 58.721 0.300 . 1 . . . . 36 SER CA . 18245 1 133 . 1 1 36 36 SER N N 15 111.011 0.300 . 1 . . . . 36 SER N . 18245 1 134 . 1 1 37 37 ASN H H 1 7.698 0.020 . 1 . . . . 37 ASN H . 18245 1 135 . 1 1 37 37 ASN C C 13 175.705 0.300 . 1 . . . . 37 ASN C . 18245 1 136 . 1 1 37 37 ASN CA C 13 55.016 0.300 . 1 . . . . 37 ASN CA . 18245 1 137 . 1 1 37 37 ASN N N 15 119.388 0.300 . 1 . . . . 37 ASN N . 18245 1 138 . 1 1 38 38 LEU H H 1 7.545 0.020 . 1 . . . . 38 LEU H . 18245 1 139 . 1 1 38 38 LEU C C 13 175.997 0.300 . 1 . . . . 38 LEU C . 18245 1 140 . 1 1 38 38 LEU CA C 13 53.783 0.300 . 1 . . . . 38 LEU CA . 18245 1 141 . 1 1 38 38 LEU N N 15 124.093 0.300 . 1 . . . . 38 LEU N . 18245 1 142 . 1 1 39 39 TRP H H 1 8.629 0.020 . 1 . . . . 39 TRP H . 18245 1 143 . 1 1 39 39 TRP C C 13 171.406 0.300 . 1 . . . . 39 TRP C . 18245 1 144 . 1 1 39 39 TRP CA C 13 55.861 0.300 . 1 . . . . 39 TRP CA . 18245 1 145 . 1 1 39 39 TRP N N 15 127.801 0.300 . 1 . . . . 39 TRP N . 18245 1 146 . 1 1 40 40 VAL H H 1 8.496 0.020 . 1 . . . . 40 VAL H . 18245 1 147 . 1 1 40 40 VAL CA C 13 58.458 0.300 . 1 . . . . 40 VAL CA . 18245 1 148 . 1 1 40 40 VAL N N 15 110.632 0.300 . 1 . . . . 40 VAL N . 18245 1 149 . 1 1 41 41 PRO C C 13 177.329 0.300 . 1 . . . . 41 PRO C . 18245 1 150 . 1 1 41 41 PRO CA C 13 61.076 0.300 . 1 . . . . 41 PRO CA . 18245 1 151 . 1 1 42 42 SER H H 1 7.140 0.020 . 1 . . . . 42 SER H . 18245 1 152 . 1 1 42 42 SER C C 13 175.478 0.300 . 1 . . . . 42 SER C . 18245 1 153 . 1 1 42 42 SER CA C 13 56.971 0.300 . 1 . . . . 42 SER CA . 18245 1 154 . 1 1 42 42 SER N N 15 112.432 0.300 . 1 . . . . 42 SER N . 18245 1 155 . 1 1 43 43 VAL H H 1 7.578 0.020 . 1 . . . . 43 VAL H . 18245 1 156 . 1 1 43 43 VAL C C 13 175.570 0.300 . 1 . . . . 43 VAL C . 18245 1 157 . 1 1 43 43 VAL CA C 13 62.615 0.300 . 1 . . . . 43 VAL CA . 18245 1 158 . 1 1 43 43 VAL N N 15 113.032 0.300 . 1 . . . . 43 VAL N . 18245 1 159 . 1 1 44 44 TYR H H 1 7.585 0.020 . 1 . . . . 44 TYR H . 18245 1 160 . 1 1 44 44 TYR C C 13 174.697 0.300 . 1 . . . . 44 TYR C . 18245 1 161 . 1 1 44 44 TYR CA C 13 56.284 0.300 . 1 . . . . 44 TYR CA . 18245 1 162 . 1 1 44 44 TYR N N 15 120.830 0.300 . 1 . . . . 44 TYR N . 18245 1 163 . 1 1 45 45 CYS H H 1 7.540 0.020 . 1 . . . . 45 CYS H . 18245 1 164 . 1 1 45 45 CYS C C 13 174.276 0.300 . 1 . . . . 45 CYS C . 18245 1 165 . 1 1 45 45 CYS CA C 13 54.042 0.300 . 1 . . . . 45 CYS CA . 18245 1 166 . 1 1 45 45 CYS N N 15 119.036 0.300 . 1 . . . . 45 CYS N . 18245 1 167 . 1 1 46 46 SER H H 1 8.766 0.020 . 1 . . . . 46 SER H . 18245 1 168 . 1 1 46 46 SER C C 13 174.655 0.300 . 1 . . . . 46 SER C . 18245 1 169 . 1 1 46 46 SER CA C 13 57.257 0.300 . 1 . . . . 46 SER CA . 18245 1 170 . 1 1 46 46 SER N N 15 122.439 0.300 . 1 . . . . 46 SER N . 18245 1 171 . 1 1 47 47 SER H H 1 7.718 0.020 . 1 . . . . 47 SER H . 18245 1 172 . 1 1 47 47 SER C C 13 174.840 0.300 . 1 . . . . 47 SER C . 18245 1 173 . 1 1 47 47 SER CA C 13 58.630 0.300 . 1 . . . . 47 SER CA . 18245 1 174 . 1 1 47 47 SER N N 15 119.787 0.300 . 1 . . . . 47 SER N . 18245 1 175 . 1 1 48 48 LEU H H 1 9.017 0.020 . 1 . . . . 48 LEU H . 18245 1 176 . 1 1 48 48 LEU CA C 13 58.844 0.300 . 1 . . . . 48 LEU CA . 18245 1 177 . 1 1 48 48 LEU N N 15 129.512 0.300 . 1 . . . . 48 LEU N . 18245 1 178 . 1 1 49 49 ALA C C 13 178.010 0.300 . 1 . . . . 49 ALA C . 18245 1 179 . 1 1 49 49 ALA CA C 13 54.552 0.300 . 1 . . . . 49 ALA CA . 18245 1 180 . 1 1 50 50 CYS H H 1 7.226 0.020 . 1 . . . . 50 CYS H . 18245 1 181 . 1 1 50 50 CYS C C 13 173.789 0.300 . 1 . . . . 50 CYS C . 18245 1 182 . 1 1 50 50 CYS CA C 13 56.169 0.300 . 1 . . . . 50 CYS CA . 18245 1 183 . 1 1 50 50 CYS N N 15 114.200 0.300 . 1 . . . . 50 CYS N . 18245 1 184 . 1 1 51 51 SER H H 1 7.574 0.020 . 1 . . . . 51 SER H . 18245 1 185 . 1 1 51 51 SER C C 13 174.550 0.300 . 1 . . . . 51 SER C . 18245 1 186 . 1 1 51 51 SER CA C 13 60.290 0.300 . 1 . . . . 51 SER CA . 18245 1 187 . 1 1 51 51 SER N N 15 113.100 0.300 . 1 . . . . 51 SER N . 18245 1 188 . 1 1 52 52 ASP H H 1 7.474 0.020 . 1 . . . . 52 ASP H . 18245 1 189 . 1 1 52 52 ASP C C 13 172.878 0.300 . 1 . . . . 52 ASP C . 18245 1 190 . 1 1 52 52 ASP CA C 13 51.076 0.300 . 1 . . . . 52 ASP CA . 18245 1 191 . 1 1 52 52 ASP N N 15 118.461 0.300 . 1 . . . . 52 ASP N . 18245 1 192 . 1 1 53 53 HIS H H 1 7.004 0.020 . 1 . . . . 53 HIS H . 18245 1 193 . 1 1 53 53 HIS C C 13 172.516 0.300 . 1 . . . . 53 HIS C . 18245 1 194 . 1 1 53 53 HIS CA C 13 57.257 0.300 . 1 . . . . 53 HIS CA . 18245 1 195 . 1 1 53 53 HIS N N 15 116.911 0.300 . 1 . . . . 53 HIS N . 18245 1 196 . 1 1 54 54 ASN H H 1 8.101 0.020 . 1 . . . . 54 ASN H . 18245 1 197 . 1 1 54 54 ASN C C 13 173.752 0.300 . 1 . . . . 54 ASN C . 18245 1 198 . 1 1 54 54 ASN CA C 13 53.995 0.300 . 1 . . . . 54 ASN CA . 18245 1 199 . 1 1 54 54 ASN N N 15 120.808 0.300 . 1 . . . . 54 ASN N . 18245 1 200 . 1 1 55 55 GLN H H 1 8.115 0.020 . 1 . . . . 55 GLN H . 18245 1 201 . 1 1 55 55 GLN C C 13 175.784 0.300 . 1 . . . . 55 GLN C . 18245 1 202 . 1 1 55 55 GLN CA C 13 53.193 0.300 . 1 . . . . 55 GLN CA . 18245 1 203 . 1 1 55 55 GLN N N 15 116.295 0.300 . 1 . . . . 55 GLN N . 18245 1 204 . 1 1 56 56 PHE H H 1 9.550 0.020 . 1 . . . . 56 PHE H . 18245 1 205 . 1 1 56 56 PHE C C 13 174.601 0.300 . 1 . . . . 56 PHE C . 18245 1 206 . 1 1 56 56 PHE CA C 13 58.844 0.300 . 1 . . . . 56 PHE CA . 18245 1 207 . 1 1 56 56 PHE N N 15 126.883 0.300 . 1 . . . . 56 PHE N . 18245 1 208 . 1 1 57 57 ASN H H 1 8.865 0.020 . 1 . . . . 57 ASN H . 18245 1 209 . 1 1 57 57 ASN CA C 13 48.329 0.300 . 1 . . . . 57 ASN CA . 18245 1 210 . 1 1 57 57 ASN N N 15 127.148 0.300 . 1 . . . . 57 ASN N . 18245 1 211 . 1 1 58 58 PRO C C 13 177.630 0.300 . 1 . . . . 58 PRO C . 18245 1 212 . 1 1 58 58 PRO CA C 13 64.052 0.300 . 1 . . . . 58 PRO CA . 18245 1 213 . 1 1 59 59 ASP H H 1 7.024 0.020 . 1 . . . . 59 ASP H . 18245 1 214 . 1 1 59 59 ASP C C 13 176.471 0.300 . 1 . . . . 59 ASP C . 18245 1 215 . 1 1 59 59 ASP CA C 13 55.540 0.300 . 1 . . . . 59 ASP CA . 18245 1 216 . 1 1 59 59 ASP N N 15 115.467 0.300 . 1 . . . . 59 ASP N . 18245 1 217 . 1 1 60 60 ASP H H 1 6.652 0.020 . 1 . . . . 60 ASP H . 18245 1 218 . 1 1 60 60 ASP C C 13 176.328 0.300 . 1 . . . . 60 ASP C . 18245 1 219 . 1 1 60 60 ASP CA C 13 52.971 0.300 . 1 . . . . 60 ASP CA . 18245 1 220 . 1 1 60 60 ASP N N 15 115.348 0.300 . 1 . . . . 60 ASP N . 18245 1 221 . 1 1 61 61 SER H H 1 7.377 0.020 . 1 . . . . 61 SER H . 18245 1 222 . 1 1 61 61 SER C C 13 176.048 0.300 . 1 . . . . 61 SER C . 18245 1 223 . 1 1 61 61 SER CA C 13 54.395 0.300 . 1 . . . . 61 SER CA . 18245 1 224 . 1 1 61 61 SER N N 15 116.130 0.300 . 1 . . . . 61 SER N . 18245 1 225 . 1 1 62 62 SER H H 1 8.918 0.020 . 1 . . . . 62 SER H . 18245 1 226 . 1 1 62 62 SER C C 13 175.737 0.300 . 1 . . . . 62 SER C . 18245 1 227 . 1 1 62 62 SER CA C 13 59.484 0.300 . 1 . . . . 62 SER CA . 18245 1 228 . 1 1 62 62 SER N N 15 123.126 0.300 . 1 . . . . 62 SER N . 18245 1 229 . 1 1 63 63 THR H H 1 7.989 0.020 . 1 . . . . 63 THR H . 18245 1 230 . 1 1 63 63 THR C C 13 173.836 0.300 . 1 . . . . 63 THR C . 18245 1 231 . 1 1 63 63 THR CA C 13 60.290 0.300 . 1 . . . . 63 THR CA . 18245 1 232 . 1 1 63 63 THR N N 15 110.616 0.300 . 1 . . . . 63 THR N . 18245 1 233 . 1 1 64 64 PHE H H 1 6.830 0.020 . 1 . . . . 64 PHE H . 18245 1 234 . 1 1 64 64 PHE C C 13 175.985 0.300 . 1 . . . . 64 PHE C . 18245 1 235 . 1 1 64 64 PHE CA C 13 59.088 0.300 . 1 . . . . 64 PHE CA . 18245 1 236 . 1 1 64 64 PHE N N 15 124.239 0.300 . 1 . . . . 64 PHE N . 18245 1 237 . 1 1 65 65 GLU H H 1 8.470 0.020 . 1 . . . . 65 GLU H . 18245 1 238 . 1 1 65 65 GLU C C 13 173.180 0.300 . 1 . . . . 65 GLU C . 18245 1 239 . 1 1 65 65 GLU CA C 13 54.166 0.300 . 1 . . . . 65 GLU CA . 18245 1 240 . 1 1 65 65 GLU N N 15 129.350 0.300 . 1 . . . . 65 GLU N . 18245 1 241 . 1 1 66 66 ALA H H 1 8.208 0.020 . 1 . . . . 66 ALA H . 18245 1 242 . 1 1 66 66 ALA C C 13 178.674 0.300 . 1 . . . . 66 ALA C . 18245 1 243 . 1 1 66 66 ALA CA C 13 51.877 0.300 . 1 . . . . 66 ALA CA . 18245 1 244 . 1 1 66 66 ALA N N 15 126.842 0.300 . 1 . . . . 66 ALA N . 18245 1 245 . 1 1 67 67 THR H H 1 8.030 0.020 . 1 . . . . 67 THR H . 18245 1 246 . 1 1 67 67 THR C C 13 173.724 0.300 . 1 . . . . 67 THR C . 18245 1 247 . 1 1 67 67 THR CA C 13 60.750 0.300 . 1 . . . . 67 THR CA . 18245 1 248 . 1 1 67 67 THR N N 15 109.970 0.300 . 1 . . . . 67 THR N . 18245 1 249 . 1 1 68 68 SER H H 1 8.400 0.020 . 1 . . . . 68 SER H . 18245 1 250 . 1 1 68 68 SER C C 13 174.754 0.300 . 1 . . . . 68 SER C . 18245 1 251 . 1 1 68 68 SER CA C 13 56.913 0.300 . 1 . . . . 68 SER CA . 18245 1 252 . 1 1 68 68 SER N N 15 113.312 0.300 . 1 . . . . 68 SER N . 18245 1 253 . 1 1 69 69 GLN H H 1 8.505 0.020 . 1 . . . . 69 GLN H . 18245 1 254 . 1 1 69 69 GLN C C 13 174.633 0.300 . 1 . . . . 69 GLN C . 18245 1 255 . 1 1 69 69 GLN CA C 13 55.525 0.300 . 1 . . . . 69 GLN CA . 18245 1 256 . 1 1 69 69 GLN N N 15 123.755 0.300 . 1 . . . . 69 GLN N . 18245 1 257 . 1 1 70 70 GLU H H 1 8.383 0.020 . 1 . . . . 70 GLU H . 18245 1 258 . 1 1 70 70 GLU C C 13 175.355 0.300 . 1 . . . . 70 GLU C . 18245 1 259 . 1 1 70 70 GLU CA C 13 55.124 0.300 . 1 . . . . 70 GLU CA . 18245 1 260 . 1 1 70 70 GLU N N 15 123.526 0.300 . 1 . . . . 70 GLU N . 18245 1 261 . 1 1 71 71 LEU H H 1 7.998 0.020 . 1 . . . . 71 LEU H . 18245 1 262 . 1 1 71 71 LEU C C 13 173.581 0.300 . 1 . . . . 71 LEU C . 18245 1 263 . 1 1 71 71 LEU CA C 13 53.936 0.300 . 1 . . . . 71 LEU CA . 18245 1 264 . 1 1 71 71 LEU N N 15 121.362 0.300 . 1 . . . . 71 LEU N . 18245 1 265 . 1 1 72 72 SER H H 1 8.146 0.020 . 1 . . . . 72 SER H . 18245 1 266 . 1 1 72 72 SER C C 13 172.436 0.300 . 1 . . . . 72 SER C . 18245 1 267 . 1 1 72 72 SER CA C 13 57.028 0.300 . 1 . . . . 72 SER CA . 18245 1 268 . 1 1 72 72 SER N N 15 119.099 0.300 . 1 . . . . 72 SER N . 18245 1 269 . 1 1 73 73 ILE H H 1 8.297 0.020 . 1 . . . . 73 ILE H . 18245 1 270 . 1 1 73 73 ILE C C 13 174.601 0.300 . 1 . . . . 73 ILE C . 18245 1 271 . 1 1 73 73 ILE CA C 13 60.082 0.300 . 1 . . . . 73 ILE CA . 18245 1 272 . 1 1 73 73 ILE N N 15 123.615 0.300 . 1 . . . . 73 ILE N . 18245 1 273 . 1 1 74 74 THR H H 1 8.244 0.020 . 1 . . . . 74 THR H . 18245 1 274 . 1 1 74 74 THR C C 13 173.270 0.300 . 1 . . . . 74 THR C . 18245 1 275 . 1 1 74 74 THR CA C 13 61.900 0.300 . 1 . . . . 74 THR CA . 18245 1 276 . 1 1 74 74 THR N N 15 121.357 0.300 . 1 . . . . 74 THR N . 18245 1 277 . 1 1 75 75 TYR H H 1 8.102 0.020 . 1 . . . . 75 TYR H . 18245 1 278 . 1 1 75 75 TYR CA C 13 57.095 0.300 . 1 . . . . 75 TYR CA . 18245 1 279 . 1 1 75 75 TYR N N 15 126.011 0.300 . 1 . . . . 75 TYR N . 18245 1 280 . 1 1 76 76 GLY C C 13 173.302 0.300 . 1 . . . . 76 GLY C . 18245 1 281 . 1 1 76 76 GLY CA C 13 45.014 0.300 . 1 . . . . 76 GLY CA . 18245 1 282 . 1 1 77 77 THR H H 1 6.969 0.020 . 1 . . . . 77 THR H . 18245 1 283 . 1 1 77 77 THR C C 13 174.763 0.300 . 1 . . . . 77 THR C . 18245 1 284 . 1 1 77 77 THR CA C 13 61.900 0.300 . 1 . . . . 77 THR CA . 18245 1 285 . 1 1 77 77 THR N N 15 118.609 0.300 . 1 . . . . 77 THR N . 18245 1 286 . 1 1 78 78 GLY H H 1 7.841 0.020 . 1 . . . . 78 GLY H . 18245 1 287 . 1 1 78 78 GLY C C 13 171.906 0.300 . 1 . . . . 78 GLY C . 18245 1 288 . 1 1 78 78 GLY CA C 13 44.431 0.300 . 1 . . . . 78 GLY CA . 18245 1 289 . 1 1 78 78 GLY N N 15 110.946 0.300 . 1 . . . . 78 GLY N . 18245 1 290 . 1 1 79 79 SER H H 1 7.845 0.020 . 1 . . . . 79 SER H . 18245 1 291 . 1 1 79 79 SER CA C 13 57.419 0.300 . 1 . . . . 79 SER CA . 18245 1 292 . 1 1 79 79 SER N N 15 114.074 0.300 . 1 . . . . 79 SER N . 18245 1 293 . 1 1 81 81 THR C C 13 175.510 0.300 . 1 . . . . 81 THR C . 18245 1 294 . 1 1 81 81 THR CA C 13 60.472 0.300 . 1 . . . . 81 THR CA . 18245 1 295 . 1 1 82 82 GLY H H 1 8.853 0.020 . 1 . . . . 82 GLY H . 18245 1 296 . 1 1 82 82 GLY C C 13 170.964 0.300 . 1 . . . . 82 GLY C . 18245 1 297 . 1 1 82 82 GLY CA C 13 46.444 0.300 . 1 . . . . 82 GLY CA . 18245 1 298 . 1 1 82 82 GLY N N 15 111.462 0.300 . 1 . . . . 82 GLY N . 18245 1 299 . 1 1 83 83 ILE H H 1 8.372 0.020 . 1 . . . . 83 ILE H . 18245 1 300 . 1 1 83 83 ILE C C 13 174.114 0.300 . 1 . . . . 83 ILE C . 18245 1 301 . 1 1 83 83 ILE CA C 13 58.272 0.300 . 1 . . . . 83 ILE CA . 18245 1 302 . 1 1 83 83 ILE N N 15 119.807 0.300 . 1 . . . . 83 ILE N . 18245 1 303 . 1 1 84 84 LEU H H 1 7.906 0.020 . 1 . . . . 84 LEU H . 18245 1 304 . 1 1 84 84 LEU C C 13 177.913 0.300 . 1 . . . . 84 LEU C . 18245 1 305 . 1 1 84 84 LEU CA C 13 53.579 0.300 . 1 . . . . 84 LEU CA . 18245 1 306 . 1 1 84 84 LEU N N 15 122.930 0.300 . 1 . . . . 84 LEU N . 18245 1 307 . 1 1 85 85 GLY H H 1 8.516 0.020 . 1 . . . . 85 GLY H . 18245 1 308 . 1 1 85 85 GLY C C 13 168.430 0.300 . 1 . . . . 85 GLY C . 18245 1 309 . 1 1 85 85 GLY CA C 13 43.807 0.300 . 1 . . . . 85 GLY CA . 18245 1 310 . 1 1 85 85 GLY N N 15 112.382 0.300 . 1 . . . . 85 GLY N . 18245 1 311 . 1 1 86 86 TYR H H 1 8.522 0.020 . 1 . . . . 86 TYR H . 18245 1 312 . 1 1 86 86 TYR C C 13 175.097 0.300 . 1 . . . . 86 TYR C . 18245 1 313 . 1 1 86 86 TYR CA C 13 56.398 0.300 . 1 . . . . 86 TYR CA . 18245 1 314 . 1 1 86 86 TYR N N 15 116.146 0.300 . 1 . . . . 86 TYR N . 18245 1 315 . 1 1 87 87 ASP H H 1 8.678 0.020 . 1 . . . . 87 ASP H . 18245 1 316 . 1 1 87 87 ASP C C 13 175.290 0.300 . 1 . . . . 87 ASP C . 18245 1 317 . 1 1 87 87 ASP CA C 13 53.078 0.300 . 1 . . . . 87 ASP CA . 18245 1 318 . 1 1 87 87 ASP N N 15 117.517 0.300 . 1 . . . . 87 ASP N . 18245 1 319 . 1 1 88 88 THR H H 1 11.089 0.020 . 1 . . . . 88 THR H . 18245 1 320 . 1 1 88 88 THR C C 13 174.441 0.300 . 1 . . . . 88 THR C . 18245 1 321 . 1 1 88 88 THR CA C 13 61.972 0.300 . 1 . . . . 88 THR CA . 18245 1 322 . 1 1 88 88 THR N N 15 118.489 0.300 . 1 . . . . 88 THR N . 18245 1 323 . 1 1 89 89 VAL H H 1 8.400 0.020 . 1 . . . . 89 VAL H . 18245 1 324 . 1 1 89 89 VAL C C 13 174.153 0.300 . 1 . . . . 89 VAL C . 18245 1 325 . 1 1 89 89 VAL CA C 13 59.686 0.300 . 1 . . . . 89 VAL CA . 18245 1 326 . 1 1 89 89 VAL N N 15 131.318 0.300 . 1 . . . . 89 VAL N . 18245 1 327 . 1 1 90 90 GLN H H 1 9.938 0.020 . 1 . . . . 90 GLN H . 18245 1 328 . 1 1 90 90 GLN C C 13 175.384 0.300 . 1 . . . . 90 GLN C . 18245 1 329 . 1 1 90 90 GLN CA C 13 54.023 0.300 . 1 . . . . 90 GLN CA . 18245 1 330 . 1 1 90 90 GLN N N 15 129.870 0.300 . 1 . . . . 90 GLN N . 18245 1 331 . 1 1 91 91 VAL H H 1 8.681 0.020 . 1 . . . . 91 VAL H . 18245 1 332 . 1 1 91 91 VAL C C 13 174.239 0.300 . 1 . . . . 91 VAL C . 18245 1 333 . 1 1 91 91 VAL CA C 13 58.859 0.300 . 1 . . . . 91 VAL CA . 18245 1 334 . 1 1 91 91 VAL N N 15 123.677 0.300 . 1 . . . . 91 VAL N . 18245 1 335 . 1 1 92 92 GLY H H 1 8.277 0.020 . 1 . . . . 92 GLY H . 18245 1 336 . 1 1 92 92 GLY C C 13 173.724 0.300 . 1 . . . . 92 GLY C . 18245 1 337 . 1 1 92 92 GLY CA C 13 46.955 0.300 . 1 . . . . 92 GLY CA . 18245 1 338 . 1 1 92 92 GLY N N 15 116.651 0.300 . 1 . . . . 92 GLY N . 18245 1 339 . 1 1 93 93 GLY H H 1 8.573 0.020 . 1 . . . . 93 GLY H . 18245 1 340 . 1 1 93 93 GLY C C 13 173.627 0.300 . 1 . . . . 93 GLY C . 18245 1 341 . 1 1 93 93 GLY CA C 13 44.723 0.300 . 1 . . . . 93 GLY CA . 18245 1 342 . 1 1 93 93 GLY N N 15 104.884 0.300 . 1 . . . . 93 GLY N . 18245 1 343 . 1 1 94 94 ILE H H 1 7.993 0.020 . 1 . . . . 94 ILE H . 18245 1 344 . 1 1 94 94 ILE C C 13 174.926 0.300 . 1 . . . . 94 ILE C . 18245 1 345 . 1 1 94 94 ILE CA C 13 60.446 0.300 . 1 . . . . 94 ILE CA . 18245 1 346 . 1 1 94 94 ILE N N 15 123.687 0.300 . 1 . . . . 94 ILE N . 18245 1 347 . 1 1 95 95 SER H H 1 8.413 0.020 . 1 . . . . 95 SER H . 18245 1 348 . 1 1 95 95 SER C C 13 171.971 0.300 . 1 . . . . 95 SER C . 18245 1 349 . 1 1 95 95 SER CA C 13 57.028 0.300 . 1 . . . . 95 SER CA . 18245 1 350 . 1 1 95 95 SER N N 15 121.821 0.300 . 1 . . . . 95 SER N . 18245 1 351 . 1 1 96 96 ASP H H 1 9.081 0.020 . 1 . . . . 96 ASP H . 18245 1 352 . 1 1 96 96 ASP C C 13 174.039 0.300 . 1 . . . . 96 ASP C . 18245 1 353 . 1 1 96 96 ASP CA C 13 51.076 0.300 . 1 . . . . 96 ASP CA . 18245 1 354 . 1 1 96 96 ASP N N 15 126.359 0.300 . 1 . . . . 96 ASP N . 18245 1 355 . 1 1 97 97 THR H H 1 6.999 0.020 . 1 . . . . 97 THR H . 18245 1 356 . 1 1 97 97 THR C C 13 174.081 0.300 . 1 . . . . 97 THR C . 18245 1 357 . 1 1 97 97 THR CA C 13 60.977 0.300 . 1 . . . . 97 THR CA . 18245 1 358 . 1 1 97 97 THR N N 15 114.592 0.300 . 1 . . . . 97 THR N . 18245 1 359 . 1 1 98 98 ASN H H 1 9.380 0.020 . 1 . . . . 98 ASN H . 18245 1 360 . 1 1 98 98 ASN C C 13 173.924 0.300 . 1 . . . . 98 ASN C . 18245 1 361 . 1 1 98 98 ASN CA C 13 53.574 0.300 . 1 . . . . 98 ASN CA . 18245 1 362 . 1 1 98 98 ASN N N 15 116.112 0.300 . 1 . . . . 98 ASN N . 18245 1 363 . 1 1 99 99 GLN H H 1 8.415 0.020 . 1 . . . . 99 GLN H . 18245 1 364 . 1 1 99 99 GLN C C 13 173.924 0.300 . 1 . . . . 99 GLN C . 18245 1 365 . 1 1 99 99 GLN CA C 13 53.865 0.300 . 1 . . . . 99 GLN CA . 18245 1 366 . 1 1 99 99 GLN N N 15 120.765 0.300 . 1 . . . . 99 GLN N . 18245 1 367 . 1 1 100 100 ILE H H 1 8.404 0.020 . 1 . . . . 100 ILE H . 18245 1 368 . 1 1 100 100 ILE C C 13 176.471 0.300 . 1 . . . . 100 ILE C . 18245 1 369 . 1 1 100 100 ILE CA C 13 59.432 0.300 . 1 . . . . 100 ILE CA . 18245 1 370 . 1 1 100 100 ILE N N 15 130.918 0.300 . 1 . . . . 100 ILE N . 18245 1 371 . 1 1 101 101 PHE H H 1 9.523 0.020 . 1 . . . . 101 PHE H . 18245 1 372 . 1 1 101 101 PHE C C 13 171.606 0.300 . 1 . . . . 101 PHE C . 18245 1 373 . 1 1 101 101 PHE CA C 13 55.940 0.300 . 1 . . . . 101 PHE CA . 18245 1 374 . 1 1 101 101 PHE N N 15 127.099 0.300 . 1 . . . . 101 PHE N . 18245 1 375 . 1 1 102 102 GLY H H 1 9.216 0.020 . 1 . . . . 102 GLY H . 18245 1 376 . 1 1 102 102 GLY C C 13 169.958 0.300 . 1 . . . . 102 GLY C . 18245 1 377 . 1 1 102 102 GLY CA C 13 44.782 0.300 . 1 . . . . 102 GLY CA . 18245 1 378 . 1 1 102 102 GLY N N 15 106.041 0.300 . 1 . . . . 102 GLY N . 18245 1 379 . 1 1 103 103 LEU H H 1 9.113 0.020 . 1 . . . . 103 LEU H . 18245 1 380 . 1 1 103 103 LEU C C 13 177.783 0.300 . 1 . . . . 103 LEU C . 18245 1 381 . 1 1 103 103 LEU CA C 13 54.681 0.300 . 1 . . . . 103 LEU CA . 18245 1 382 . 1 1 103 103 LEU N N 15 126.570 0.300 . 1 . . . . 103 LEU N . 18245 1 383 . 1 1 104 104 SER H H 1 9.003 0.020 . 1 . . . . 104 SER H . 18245 1 384 . 1 1 104 104 SER C C 13 173.409 0.300 . 1 . . . . 104 SER C . 18245 1 385 . 1 1 104 104 SER CA C 13 59.718 0.300 . 1 . . . . 104 SER CA . 18245 1 386 . 1 1 104 104 SER N N 15 118.814 0.300 . 1 . . . . 104 SER N . 18245 1 387 . 1 1 105 105 GLU H H 1 9.945 0.020 . 1 . . . . 105 GLU H . 18245 1 388 . 1 1 105 105 GLU C C 13 175.835 0.300 . 1 . . . . 105 GLU C . 18245 1 389 . 1 1 105 105 GLU CA C 13 56.627 0.300 . 1 . . . . 105 GLU CA . 18245 1 390 . 1 1 105 105 GLU N N 15 119.344 0.300 . 1 . . . . 105 GLU N . 18245 1 391 . 1 1 106 106 THR H H 1 8.127 0.020 . 1 . . . . 106 THR H . 18245 1 392 . 1 1 106 106 THR C C 13 173.335 0.300 . 1 . . . . 106 THR C . 18245 1 393 . 1 1 106 106 THR CA C 13 60.633 0.300 . 1 . . . . 106 THR CA . 18245 1 394 . 1 1 106 106 THR N N 15 114.524 0.300 . 1 . . . . 106 THR N . 18245 1 395 . 1 1 107 107 GLU H H 1 8.344 0.020 . 1 . . . . 107 GLU H . 18245 1 396 . 1 1 107 107 GLU CA C 13 53.193 0.300 . 1 . . . . 107 GLU CA . 18245 1 397 . 1 1 107 107 GLU N N 15 120.239 0.300 . 1 . . . . 107 GLU N . 18245 1 398 . 1 1 108 108 PRO C C 13 177.718 0.300 . 1 . . . . 108 PRO C . 18245 1 399 . 1 1 108 108 PRO CA C 13 62.999 0.300 . 1 . . . . 108 PRO CA . 18245 1 400 . 1 1 109 109 GLY H H 1 8.228 0.020 . 1 . . . . 109 GLY H . 18245 1 401 . 1 1 109 109 GLY C C 13 174.954 0.300 . 1 . . . . 109 GLY C . 18245 1 402 . 1 1 109 109 GLY CA C 13 44.950 0.300 . 1 . . . . 109 GLY CA . 18245 1 403 . 1 1 109 109 GLY N N 15 107.896 0.300 . 1 . . . . 109 GLY N . 18245 1 404 . 1 1 110 110 SER H H 1 8.394 0.020 . 1 . . . . 110 SER H . 18245 1 405 . 1 1 110 110 SER C C 13 175.979 0.300 . 1 . . . . 110 SER C . 18245 1 406 . 1 1 110 110 SER CA C 13 60.212 0.300 . 1 . . . . 110 SER CA . 18245 1 407 . 1 1 110 110 SER N N 15 114.836 0.300 . 1 . . . . 110 SER N . 18245 1 408 . 1 1 111 111 PHE H H 1 8.418 0.020 . 1 . . . . 111 PHE H . 18245 1 409 . 1 1 111 111 PHE C C 13 178.010 0.300 . 1 . . . . 111 PHE C . 18245 1 410 . 1 1 111 111 PHE CA C 13 61.641 0.300 . 1 . . . . 111 PHE CA . 18245 1 411 . 1 1 111 111 PHE N N 15 125.767 0.300 . 1 . . . . 111 PHE N . 18245 1 412 . 1 1 112 112 LEU H H 1 8.792 0.020 . 1 . . . . 112 LEU H . 18245 1 413 . 1 1 112 112 LEU C C 13 179.175 0.300 . 1 . . . . 112 LEU C . 18245 1 414 . 1 1 112 112 LEU CA C 13 56.284 0.300 . 1 . . . . 112 LEU CA . 18245 1 415 . 1 1 112 112 LEU N N 15 116.806 0.300 . 1 . . . . 112 LEU N . 18245 1 416 . 1 1 113 113 TYR H H 1 7.037 0.020 . 1 . . . . 113 TYR H . 18245 1 417 . 1 1 113 113 TYR C C 13 177.301 0.300 . 1 . . . . 113 TYR C . 18245 1 418 . 1 1 113 113 TYR CA C 13 60.602 0.300 . 1 . . . . 113 TYR CA . 18245 1 419 . 1 1 113 113 TYR N N 15 120.014 0.300 . 1 . . . . 113 TYR N . 18245 1 420 . 1 1 114 114 TYR H H 1 7.520 0.020 . 1 . . . . 114 TYR H . 18245 1 421 . 1 1 114 114 TYR C C 13 175.012 0.300 . 1 . . . . 114 TYR C . 18245 1 422 . 1 1 114 114 TYR CA C 13 58.913 0.300 . 1 . . . . 114 TYR CA . 18245 1 423 . 1 1 114 114 TYR N N 15 117.670 0.300 . 1 . . . . 114 TYR N . 18245 1 424 . 1 1 115 115 ALA H H 1 6.765 0.020 . 1 . . . . 115 ALA H . 18245 1 425 . 1 1 115 115 ALA CA C 13 49.515 0.300 . 1 . . . . 115 ALA CA . 18245 1 426 . 1 1 115 115 ALA N N 15 124.224 0.300 . 1 . . . . 115 ALA N . 18245 1 427 . 1 1 117 117 PHE C C 13 171.993 0.300 . 1 . . . . 117 PHE C . 18245 1 428 . 1 1 117 117 PHE CA C 13 52.930 0.300 . 1 . . . . 117 PHE CA . 18245 1 429 . 1 1 118 118 ASP H H 1 8.331 0.020 . 1 . . . . 118 ASP H . 18245 1 430 . 1 1 118 118 ASP C C 13 175.640 0.300 . 1 . . . . 118 ASP C . 18245 1 431 . 1 1 118 118 ASP CA C 13 56.555 0.300 . 1 . . . . 118 ASP CA . 18245 1 432 . 1 1 118 118 ASP N N 15 118.622 0.300 . 1 . . . . 118 ASP N . 18245 1 433 . 1 1 119 119 GLY H H 1 7.592 0.020 . 1 . . . . 119 GLY H . 18245 1 434 . 1 1 119 119 GLY C C 13 170.899 0.300 . 1 . . . . 119 GLY C . 18245 1 435 . 1 1 119 119 GLY CA C 13 43.578 0.300 . 1 . . . . 119 GLY CA . 18245 1 436 . 1 1 119 119 GLY N N 15 102.391 0.300 . 1 . . . . 119 GLY N . 18245 1 437 . 1 1 120 120 ILE H H 1 6.021 0.020 . 1 . . . . 120 ILE H . 18245 1 438 . 1 1 120 120 ILE C C 13 171.549 0.300 . 1 . . . . 120 ILE C . 18245 1 439 . 1 1 120 120 ILE CA C 13 59.627 0.300 . 1 . . . . 120 ILE CA . 18245 1 440 . 1 1 120 120 ILE N N 15 116.762 0.300 . 1 . . . . 120 ILE N . 18245 1 441 . 1 1 121 121 LEU H H 1 8.409 0.020 . 1 . . . . 121 LEU H . 18245 1 442 . 1 1 121 121 LEU C C 13 174.182 0.300 . 1 . . . . 121 LEU C . 18245 1 443 . 1 1 121 121 LEU CA C 13 55.666 0.300 . 1 . . . . 121 LEU CA . 18245 1 444 . 1 1 121 121 LEU N N 15 127.944 0.300 . 1 . . . . 121 LEU N . 18245 1 445 . 1 1 122 122 GLY H H 1 7.449 0.020 . 1 . . . . 122 GLY H . 18245 1 446 . 1 1 122 122 GLY C C 13 175.737 0.300 . 1 . . . . 122 GLY C . 18245 1 447 . 1 1 122 122 GLY CA C 13 46.119 0.300 . 1 . . . . 122 GLY CA . 18245 1 448 . 1 1 122 122 GLY N N 15 114.253 0.300 . 1 . . . . 122 GLY N . 18245 1 449 . 1 1 123 123 LEU H H 1 8.358 0.020 . 1 . . . . 123 LEU H . 18245 1 450 . 1 1 123 123 LEU C C 13 175.965 0.300 . 1 . . . . 123 LEU C . 18245 1 451 . 1 1 123 123 LEU CA C 13 54.796 0.300 . 1 . . . . 123 LEU CA . 18245 1 452 . 1 1 123 123 LEU N N 15 127.549 0.300 . 1 . . . . 123 LEU N . 18245 1 453 . 1 1 124 124 ALA H H 1 8.521 0.020 . 1 . . . . 124 ALA H . 18245 1 454 . 1 1 124 124 ALA C C 13 175.069 0.300 . 1 . . . . 124 ALA C . 18245 1 455 . 1 1 124 124 ALA CA C 13 51.591 0.300 . 1 . . . . 124 ALA CA . 18245 1 456 . 1 1 124 124 ALA N N 15 126.576 0.300 . 1 . . . . 124 ALA N . 18245 1 457 . 1 1 125 125 TYR H H 1 7.733 0.020 . 1 . . . . 125 TYR H . 18245 1 458 . 1 1 125 125 TYR CA C 13 59.031 0.300 . 1 . . . . 125 TYR CA . 18245 1 459 . 1 1 125 125 TYR N N 15 113.466 0.300 . 1 . . . . 125 TYR N . 18245 1 460 . 1 1 126 126 PRO C C 13 178.191 0.300 . 1 . . . . 126 PRO C . 18245 1 461 . 1 1 126 126 PRO CA C 13 64.911 0.300 . 1 . . . . 126 PRO CA . 18245 1 462 . 1 1 127 127 SER H H 1 7.456 0.020 . 1 . . . . 127 SER H . 18245 1 463 . 1 1 127 127 SER C C 13 176.199 0.300 . 1 . . . . 127 SER C . 18245 1 464 . 1 1 127 127 SER CA C 13 60.176 0.300 . 1 . . . . 127 SER CA . 18245 1 465 . 1 1 127 127 SER N N 15 111.885 0.300 . 1 . . . . 127 SER N . 18245 1 466 . 1 1 128 128 ILE H H 1 6.426 0.020 . 1 . . . . 128 ILE H . 18245 1 467 . 1 1 128 128 ILE C C 13 176.385 0.300 . 1 . . . . 128 ILE C . 18245 1 468 . 1 1 128 128 ILE CA C 13 60.311 0.300 . 1 . . . . 128 ILE CA . 18245 1 469 . 1 1 128 128 ILE N N 15 111.802 0.300 . 1 . . . . 128 ILE N . 18245 1 470 . 1 1 129 129 SER H H 1 7.378 0.020 . 1 . . . . 129 SER H . 18245 1 471 . 1 1 129 129 SER C C 13 176.614 0.300 . 1 . . . . 129 SER C . 18245 1 472 . 1 1 129 129 SER CA C 13 57.806 0.300 . 1 . . . . 129 SER CA . 18245 1 473 . 1 1 129 129 SER N N 15 118.582 0.300 . 1 . . . . 129 SER N . 18245 1 474 . 1 1 130 130 ALA H H 1 9.718 0.020 . 1 . . . . 130 ALA H . 18245 1 475 . 1 1 130 130 ALA C C 13 179.359 0.300 . 1 . . . . 130 ALA C . 18245 1 476 . 1 1 130 130 ALA CA C 13 53.442 0.300 . 1 . . . . 130 ALA CA . 18245 1 477 . 1 1 130 130 ALA N N 15 137.532 0.300 . 1 . . . . 130 ALA N . 18245 1 478 . 1 1 131 131 SER H H 1 8.981 0.020 . 1 . . . . 131 SER H . 18245 1 479 . 1 1 131 131 SER C C 13 173.495 0.300 . 1 . . . . 131 SER C . 18245 1 480 . 1 1 131 131 SER CA C 13 59.368 0.300 . 1 . . . . 131 SER CA . 18245 1 481 . 1 1 131 131 SER N N 15 113.570 0.300 . 1 . . . . 131 SER N . 18245 1 482 . 1 1 132 132 GLY H H 1 7.826 0.020 . 1 . . . . 132 GLY H . 18245 1 483 . 1 1 132 132 GLY C C 13 174.382 0.300 . 1 . . . . 132 GLY C . 18245 1 484 . 1 1 132 132 GLY CA C 13 45.696 0.300 . 1 . . . . 132 GLY CA . 18245 1 485 . 1 1 132 132 GLY N N 15 107.202 0.300 . 1 . . . . 132 GLY N . 18245 1 486 . 1 1 133 133 ALA H H 1 6.624 0.020 . 1 . . . . 133 ALA H . 18245 1 487 . 1 1 133 133 ALA C C 13 178.245 0.300 . 1 . . . . 133 ALA C . 18245 1 488 . 1 1 133 133 ALA CA C 13 51.648 0.300 . 1 . . . . 133 ALA CA . 18245 1 489 . 1 1 133 133 ALA N N 15 122.760 0.300 . 1 . . . . 133 ALA N . 18245 1 490 . 1 1 134 134 THR H H 1 7.585 0.020 . 1 . . . . 134 THR H . 18245 1 491 . 1 1 134 134 THR CA C 13 62.293 0.300 . 1 . . . . 134 THR CA . 18245 1 492 . 1 1 134 134 THR N N 15 124.452 0.300 . 1 . . . . 134 THR N . 18245 1 493 . 1 1 135 135 PRO C C 13 176.500 0.300 . 1 . . . . 135 PRO C . 18245 1 494 . 1 1 135 135 PRO CA C 13 61.481 0.300 . 1 . . . . 135 PRO CA . 18245 1 495 . 1 1 136 136 VAL H H 1 8.726 0.020 . 1 . . . . 136 VAL H . 18245 1 496 . 1 1 136 136 VAL C C 13 177.751 0.300 . 1 . . . . 136 VAL C . 18245 1 497 . 1 1 136 136 VAL CA C 13 64.453 0.300 . 1 . . . . 136 VAL CA . 18245 1 498 . 1 1 136 136 VAL N N 15 123.416 0.300 . 1 . . . . 136 VAL N . 18245 1 499 . 1 1 137 137 PHE H H 1 10.535 0.020 . 1 . . . . 137 PHE H . 18245 1 500 . 1 1 137 137 PHE C C 13 177.101 0.300 . 1 . . . . 137 PHE C . 18245 1 501 . 1 1 137 137 PHE CA C 13 63.524 0.300 . 1 . . . . 137 PHE CA . 18245 1 502 . 1 1 137 137 PHE N N 15 121.081 0.300 . 1 . . . . 137 PHE N . 18245 1 503 . 1 1 138 138 ASP H H 1 6.930 0.020 . 1 . . . . 138 ASP H . 18245 1 504 . 1 1 138 138 ASP C C 13 176.943 0.300 . 1 . . . . 138 ASP C . 18245 1 505 . 1 1 138 138 ASP CA C 13 57.354 0.300 . 1 . . . . 138 ASP CA . 18245 1 506 . 1 1 138 138 ASP N N 15 115.804 0.300 . 1 . . . . 138 ASP N . 18245 1 507 . 1 1 139 139 ASN H H 1 7.845 0.020 . 1 . . . . 139 ASN H . 18245 1 508 . 1 1 139 139 ASN C C 13 179.333 0.300 . 1 . . . . 139 ASN C . 18245 1 509 . 1 1 139 139 ASN CA C 13 56.284 0.300 . 1 . . . . 139 ASN CA . 18245 1 510 . 1 1 139 139 ASN N N 15 119.499 0.300 . 1 . . . . 139 ASN N . 18245 1 511 . 1 1 140 140 LEU H H 1 8.267 0.020 . 1 . . . . 140 LEU H . 18245 1 512 . 1 1 140 140 LEU C C 13 178.887 0.300 . 1 . . . . 140 LEU C . 18245 1 513 . 1 1 140 140 LEU CA C 13 57.600 0.300 . 1 . . . . 140 LEU CA . 18245 1 514 . 1 1 140 140 LEU N N 15 118.527 0.300 . 1 . . . . 140 LEU N . 18245 1 515 . 1 1 141 141 TRP H H 1 8.008 0.020 . 1 . . . . 141 TRP H . 18245 1 516 . 1 1 141 141 TRP C C 13 180.048 0.300 . 1 . . . . 141 TRP C . 18245 1 517 . 1 1 141 141 TRP CA C 13 59.088 0.300 . 1 . . . . 141 TRP CA . 18245 1 518 . 1 1 141 141 TRP N N 15 121.045 0.300 . 1 . . . . 141 TRP N . 18245 1 519 . 1 1 142 142 ASP H H 1 8.941 0.020 . 1 . . . . 142 ASP H . 18245 1 520 . 1 1 142 142 ASP C C 13 177.902 0.300 . 1 . . . . 142 ASP C . 18245 1 521 . 1 1 142 142 ASP CA C 13 56.284 0.300 . 1 . . . . 142 ASP CA . 18245 1 522 . 1 1 142 142 ASP N N 15 120.333 0.300 . 1 . . . . 142 ASP N . 18245 1 523 . 1 1 143 143 GLN H H 1 6.886 0.020 . 1 . . . . 143 GLN H . 18245 1 524 . 1 1 143 143 GLN C C 13 175.698 0.300 . 1 . . . . 143 GLN C . 18245 1 525 . 1 1 143 143 GLN CA C 13 55.654 0.300 . 1 . . . . 143 GLN CA . 18245 1 526 . 1 1 143 143 GLN N N 15 113.608 0.300 . 1 . . . . 143 GLN N . 18245 1 527 . 1 1 144 144 GLY H H 1 7.683 0.020 . 1 . . . . 144 GLY H . 18245 1 528 . 1 1 144 144 GLY C C 13 175.956 0.300 . 1 . . . . 144 GLY C . 18245 1 529 . 1 1 144 144 GLY CA C 13 46.209 0.300 . 1 . . . . 144 GLY CA . 18245 1 530 . 1 1 144 144 GLY N N 15 110.146 0.300 . 1 . . . . 144 GLY N . 18245 1 531 . 1 1 145 145 LEU H H 1 8.021 0.020 . 1 . . . . 145 LEU H . 18245 1 532 . 1 1 145 145 LEU C C 13 176.647 0.300 . 1 . . . . 145 LEU C . 18245 1 533 . 1 1 145 145 LEU CA C 13 55.128 0.300 . 1 . . . . 145 LEU CA . 18245 1 534 . 1 1 145 145 LEU N N 15 116.813 0.300 . 1 . . . . 145 LEU N . 18245 1 535 . 1 1 146 146 VAL H H 1 6.817 0.020 . 1 . . . . 146 VAL H . 18245 1 536 . 1 1 146 146 VAL C C 13 176.070 0.300 . 1 . . . . 146 VAL C . 18245 1 537 . 1 1 146 146 VAL CA C 13 58.394 0.300 . 1 . . . . 146 VAL CA . 18245 1 538 . 1 1 146 146 VAL N N 15 107.138 0.300 . 1 . . . . 146 VAL N . 18245 1 539 . 1 1 147 147 SER H H 1 8.926 0.020 . 1 . . . . 147 SER H . 18245 1 540 . 1 1 147 147 SER C C 13 174.425 0.300 . 1 . . . . 147 SER C . 18245 1 541 . 1 1 147 147 SER CA C 13 60.537 0.300 . 1 . . . . 147 SER CA . 18245 1 542 . 1 1 147 147 SER N N 15 116.366 0.300 . 1 . . . . 147 SER N . 18245 1 543 . 1 1 148 148 GLN H H 1 7.336 0.020 . 1 . . . . 148 GLN H . 18245 1 544 . 1 1 148 148 GLN C C 13 174.869 0.300 . 1 . . . . 148 GLN C . 18245 1 545 . 1 1 148 148 GLN CA C 13 54.224 0.300 . 1 . . . . 148 GLN CA . 18245 1 546 . 1 1 148 148 GLN N N 15 116.802 0.300 . 1 . . . . 148 GLN N . 18245 1 547 . 1 1 149 149 ASP H H 1 8.690 0.020 . 1 . . . . 149 ASP H . 18245 1 548 . 1 1 149 149 ASP C C 13 173.509 0.300 . 1 . . . . 149 ASP C . 18245 1 549 . 1 1 149 149 ASP CA C 13 50.946 0.300 . 1 . . . . 149 ASP CA . 18245 1 550 . 1 1 149 149 ASP N N 15 125.574 0.300 . 1 . . . . 149 ASP N . 18245 1 551 . 1 1 150 150 LEU H H 1 8.428 0.020 . 1 . . . . 150 LEU H . 18245 1 552 . 1 1 150 150 LEU CA C 13 53.314 0.300 . 1 . . . . 150 LEU CA . 18245 1 553 . 1 1 150 150 LEU N N 15 116.668 0.300 . 1 . . . . 150 LEU N . 18245 1 554 . 1 1 151 151 PHE C C 13 172.078 0.300 . 1 . . . . 151 PHE C . 18245 1 555 . 1 1 151 151 PHE CA C 13 55.754 0.300 . 1 . . . . 151 PHE CA . 18245 1 556 . 1 1 152 152 SER H H 1 9.087 0.020 . 1 . . . . 152 SER H . 18245 1 557 . 1 1 152 152 SER C C 13 172.490 0.300 . 1 . . . . 152 SER C . 18245 1 558 . 1 1 152 152 SER CA C 13 56.398 0.300 . 1 . . . . 152 SER CA . 18245 1 559 . 1 1 152 152 SER N N 15 114.616 0.300 . 1 . . . . 152 SER N . 18245 1 560 . 1 1 153 153 VAL H H 1 8.815 0.020 . 1 . . . . 153 VAL H . 18245 1 561 . 1 1 153 153 VAL C C 13 172.425 0.300 . 1 . . . . 153 VAL C . 18245 1 562 . 1 1 153 153 VAL CA C 13 61.446 0.300 . 1 . . . . 153 VAL CA . 18245 1 563 . 1 1 153 153 VAL N N 15 121.565 0.300 . 1 . . . . 153 VAL N . 18245 1 564 . 1 1 154 154 TYR H H 1 8.241 0.020 . 1 . . . . 154 TYR H . 18245 1 565 . 1 1 154 154 TYR C C 13 173.367 0.300 . 1 . . . . 154 TYR C . 18245 1 566 . 1 1 154 154 TYR CA C 13 54.452 0.300 . 1 . . . . 154 TYR CA . 18245 1 567 . 1 1 154 154 TYR N N 15 126.291 0.300 . 1 . . . . 154 TYR N . 18245 1 568 . 1 1 155 155 LEU H H 1 8.258 0.020 . 1 . . . . 155 LEU H . 18245 1 569 . 1 1 155 155 LEU C C 13 173.984 0.300 . 1 . . . . 155 LEU C . 18245 1 570 . 1 1 155 155 LEU CA C 13 51.289 0.300 . 1 . . . . 155 LEU CA . 18245 1 571 . 1 1 155 155 LEU N N 15 126.280 0.300 . 1 . . . . 155 LEU N . 18245 1 572 . 1 1 156 156 SER H H 1 8.999 0.020 . 1 . . . . 156 SER H . 18245 1 573 . 1 1 156 156 SER C C 13 173.270 0.300 . 1 . . . . 156 SER C . 18245 1 574 . 1 1 156 156 SER CA C 13 56.856 0.300 . 1 . . . . 156 SER CA . 18245 1 575 . 1 1 156 156 SER N N 15 118.633 0.300 . 1 . . . . 156 SER N . 18245 1 576 . 1 1 157 157 SER H H 1 8.676 0.020 . 1 . . . . 157 SER H . 18245 1 577 . 1 1 157 157 SER C C 13 173.529 0.300 . 1 . . . . 157 SER C . 18245 1 578 . 1 1 157 157 SER CA C 13 57.486 0.300 . 1 . . . . 157 SER CA . 18245 1 579 . 1 1 157 157 SER N N 15 114.928 0.300 . 1 . . . . 157 SER N . 18245 1 580 . 1 1 158 158 ASN H H 1 8.986 0.020 . 1 . . . . 158 ASN H . 18245 1 581 . 1 1 158 158 ASN C C 13 174.179 0.300 . 1 . . . . 158 ASN C . 18245 1 582 . 1 1 158 158 ASN CA C 13 54.383 0.300 . 1 . . . . 158 ASN CA . 18245 1 583 . 1 1 158 158 ASN N N 15 118.508 0.300 . 1 . . . . 158 ASN N . 18245 1 584 . 1 1 159 159 ASP H H 1 8.397 0.020 . 1 . . . . 159 ASP H . 18245 1 585 . 1 1 159 159 ASP C C 13 175.608 0.300 . 1 . . . . 159 ASP C . 18245 1 586 . 1 1 159 159 ASP CA C 13 53.979 0.300 . 1 . . . . 159 ASP CA . 18245 1 587 . 1 1 159 159 ASP N N 15 111.130 0.300 . 1 . . . . 159 ASP N . 18245 1 588 . 1 1 160 160 ASP H H 1 7.512 0.020 . 1 . . . . 160 ASP H . 18245 1 589 . 1 1 160 160 ASP C C 13 178.646 0.300 . 1 . . . . 160 ASP C . 18245 1 590 . 1 1 160 160 ASP CA C 13 53.979 0.300 . 1 . . . . 160 ASP CA . 18245 1 591 . 1 1 160 160 ASP N N 15 121.262 0.300 . 1 . . . . 160 ASP N . 18245 1 592 . 1 1 161 161 SER H H 1 8.706 0.020 . 1 . . . . 161 SER H . 18245 1 593 . 1 1 161 161 SER C C 13 174.010 0.300 . 1 . . . . 161 SER C . 18245 1 594 . 1 1 161 161 SER CA C 13 58.913 0.300 . 1 . . . . 161 SER CA . 18245 1 595 . 1 1 161 161 SER N N 15 117.638 0.300 . 1 . . . . 161 SER N . 18245 1 596 . 1 1 162 162 GLY H H 1 8.287 0.020 . 1 . . . . 162 GLY H . 18245 1 597 . 1 1 162 162 GLY C C 13 175.441 0.300 . 1 . . . . 162 GLY C . 18245 1 598 . 1 1 162 162 GLY CA C 13 45.067 0.300 . 1 . . . . 162 GLY CA . 18245 1 599 . 1 1 162 162 GLY N N 15 107.954 0.300 . 1 . . . . 162 GLY N . 18245 1 600 . 1 1 163 163 SER H H 1 8.760 0.020 . 1 . . . . 163 SER H . 18245 1 601 . 1 1 163 163 SER C C 13 174.374 0.300 . 1 . . . . 163 SER C . 18245 1 602 . 1 1 163 163 SER CA C 13 60.796 0.300 . 1 . . . . 163 SER CA . 18245 1 603 . 1 1 163 163 SER N N 15 117.887 0.300 . 1 . . . . 163 SER N . 18245 1 604 . 1 1 164 164 VAL H H 1 9.538 0.020 . 1 . . . . 164 VAL H . 18245 1 605 . 1 1 164 164 VAL C C 13 173.810 0.300 . 1 . . . . 164 VAL C . 18245 1 606 . 1 1 164 164 VAL CA C 13 60.504 0.300 . 1 . . . . 164 VAL CA . 18245 1 607 . 1 1 164 164 VAL N N 15 124.779 0.300 . 1 . . . . 164 VAL N . 18245 1 608 . 1 1 165 165 VAL H H 1 7.942 0.020 . 1 . . . . 165 VAL H . 18245 1 609 . 1 1 165 165 VAL C C 13 174.124 0.300 . 1 . . . . 165 VAL C . 18245 1 610 . 1 1 165 165 VAL CA C 13 60.275 0.300 . 1 . . . . 165 VAL CA . 18245 1 611 . 1 1 165 165 VAL N N 15 123.349 0.300 . 1 . . . . 165 VAL N . 18245 1 612 . 1 1 166 166 LEU H H 1 9.168 0.020 . 1 . . . . 166 LEU H . 18245 1 613 . 1 1 166 166 LEU C C 13 176.484 0.300 . 1 . . . . 166 LEU C . 18245 1 614 . 1 1 166 166 LEU CA C 13 52.564 0.300 . 1 . . . . 166 LEU CA . 18245 1 615 . 1 1 166 166 LEU N N 15 129.295 0.300 . 1 . . . . 166 LEU N . 18245 1 616 . 1 1 167 167 LEU H H 1 9.053 0.020 . 1 . . . . 167 LEU H . 18245 1 617 . 1 1 167 167 LEU C C 13 173.810 0.300 . 1 . . . . 167 LEU C . 18245 1 618 . 1 1 167 167 LEU CA C 13 54.609 0.300 . 1 . . . . 167 LEU CA . 18245 1 619 . 1 1 167 167 LEU N N 15 126.877 0.300 . 1 . . . . 167 LEU N . 18245 1 620 . 1 1 168 168 GLY H H 1 8.769 0.020 . 1 . . . . 168 GLY H . 18245 1 621 . 1 1 168 168 GLY C C 13 173.638 0.300 . 1 . . . . 168 GLY C . 18245 1 622 . 1 1 168 168 GLY CA C 13 45.982 0.300 . 1 . . . . 168 GLY CA . 18245 1 623 . 1 1 168 168 GLY N N 15 113.626 0.300 . 1 . . . . 168 GLY N . 18245 1 624 . 1 1 169 169 GLY H H 1 6.739 0.020 . 1 . . . . 169 GLY H . 18245 1 625 . 1 1 169 169 GLY C C 13 170.090 0.300 . 1 . . . . 169 GLY C . 18245 1 626 . 1 1 169 169 GLY CA C 13 45.145 0.300 . 1 . . . . 169 GLY CA . 18245 1 627 . 1 1 169 169 GLY N N 15 103.547 0.300 . 1 . . . . 169 GLY N . 18245 1 628 . 1 1 170 170 ILE H H 1 8.020 0.020 . 1 . . . . 170 ILE H . 18245 1 629 . 1 1 170 170 ILE C C 13 174.668 0.300 . 1 . . . . 170 ILE C . 18245 1 630 . 1 1 170 170 ILE CA C 13 60.633 0.300 . 1 . . . . 170 ILE CA . 18245 1 631 . 1 1 170 170 ILE N N 15 117.575 0.300 . 1 . . . . 170 ILE N . 18245 1 632 . 1 1 171 171 ASP H H 1 7.985 0.020 . 1 . . . . 171 ASP H . 18245 1 633 . 1 1 171 171 ASP C C 13 175.298 0.300 . 1 . . . . 171 ASP C . 18245 1 634 . 1 1 171 171 ASP CA C 13 52.392 0.300 . 1 . . . . 171 ASP CA . 18245 1 635 . 1 1 171 171 ASP N N 15 126.219 0.300 . 1 . . . . 171 ASP N . 18245 1 636 . 1 1 172 172 SER H H 1 8.319 0.020 . 1 . . . . 172 SER H . 18245 1 637 . 1 1 172 172 SER C C 13 174.500 0.300 . 1 . . . . 172 SER C . 18245 1 638 . 1 1 172 172 SER CA C 13 59.562 0.300 . 1 . . . . 172 SER CA . 18245 1 639 . 1 1 172 172 SER N N 15 120.111 0.300 . 1 . . . . 172 SER N . 18245 1 640 . 1 1 173 173 SER H H 1 8.486 0.020 . 1 . . . . 173 SER H . 18245 1 641 . 1 1 173 173 SER C C 13 175.355 0.300 . 1 . . . . 173 SER C . 18245 1 642 . 1 1 173 173 SER CA C 13 60.118 0.300 . 1 . . . . 173 SER CA . 18245 1 643 . 1 1 173 173 SER N N 15 117.144 0.300 . 1 . . . . 173 SER N . 18245 1 644 . 1 1 174 174 TYR H H 1 6.694 0.020 . 1 . . . . 174 TYR H . 18245 1 645 . 1 1 174 174 TYR C C 13 174.554 0.300 . 1 . . . . 174 TYR C . 18245 1 646 . 1 1 174 174 TYR CA C 13 58.978 0.300 . 1 . . . . 174 TYR CA . 18245 1 647 . 1 1 174 174 TYR N N 15 116.825 0.300 . 1 . . . . 174 TYR N . 18245 1 648 . 1 1 175 175 TYR H H 1 6.736 0.020 . 1 . . . . 175 TYR H . 18245 1 649 . 1 1 175 175 TYR C C 13 173.237 0.300 . 1 . . . . 175 TYR C . 18245 1 650 . 1 1 175 175 TYR CA C 13 54.952 0.300 . 1 . . . . 175 TYR CA . 18245 1 651 . 1 1 175 175 TYR N N 15 114.745 0.300 . 1 . . . . 175 TYR N . 18245 1 652 . 1 1 176 176 THR H H 1 8.254 0.020 . 1 . . . . 176 THR H . 18245 1 653 . 1 1 176 176 THR C C 13 173.581 0.300 . 1 . . . . 176 THR C . 18245 1 654 . 1 1 176 176 THR CA C 13 59.203 0.300 . 1 . . . . 176 THR CA . 18245 1 655 . 1 1 176 176 THR N N 15 113.102 0.300 . 1 . . . . 176 THR N . 18245 1 656 . 1 1 177 177 GLY H H 1 8.058 0.020 . 1 . . . . 177 GLY H . 18245 1 657 . 1 1 177 177 GLY C C 13 173.795 0.300 . 1 . . . . 177 GLY C . 18245 1 658 . 1 1 177 177 GLY CA C 13 44.994 0.300 . 1 . . . . 177 GLY CA . 18245 1 659 . 1 1 177 177 GLY N N 15 109.232 0.300 . 1 . . . . 177 GLY N . 18245 1 660 . 1 1 178 178 SER H H 1 8.066 0.020 . 1 . . . . 178 SER H . 18245 1 661 . 1 1 178 178 SER C C 13 173.784 0.300 . 1 . . . . 178 SER C . 18245 1 662 . 1 1 178 178 SER CA C 13 56.770 0.300 . 1 . . . . 178 SER CA . 18245 1 663 . 1 1 178 178 SER N N 15 116.399 0.300 . 1 . . . . 178 SER N . 18245 1 664 . 1 1 179 179 LEU H H 1 8.009 0.020 . 1 . . . . 179 LEU H . 18245 1 665 . 1 1 179 179 LEU C C 13 176.095 0.300 . 1 . . . . 179 LEU C . 18245 1 666 . 1 1 179 179 LEU CA C 13 55.368 0.300 . 1 . . . . 179 LEU CA . 18245 1 667 . 1 1 179 179 LEU N N 15 122.854 0.300 . 1 . . . . 179 LEU N . 18245 1 668 . 1 1 180 180 ASN H H 1 7.915 0.020 . 1 . . . . 180 ASN H . 18245 1 669 . 1 1 180 180 ASN C C 13 173.707 0.300 . 1 . . . . 180 ASN C . 18245 1 670 . 1 1 180 180 ASN CA C 13 51.820 0.300 . 1 . . . . 180 ASN CA . 18245 1 671 . 1 1 180 180 ASN N N 15 121.984 0.300 . 1 . . . . 180 ASN N . 18245 1 672 . 1 1 181 181 TRP H H 1 8.529 0.020 . 1 . . . . 181 TRP H . 18245 1 673 . 1 1 181 181 TRP C C 13 177.129 0.300 . 1 . . . . 181 TRP C . 18245 1 674 . 1 1 181 181 TRP CA C 13 55.883 0.300 . 1 . . . . 181 TRP CA . 18245 1 675 . 1 1 181 181 TRP N N 15 120.556 0.300 . 1 . . . . 181 TRP N . 18245 1 676 . 1 1 182 182 VAL H H 1 10.035 0.020 . 1 . . . . 182 VAL H . 18245 1 677 . 1 1 182 182 VAL CA C 13 58.523 0.300 . 1 . . . . 182 VAL CA . 18245 1 678 . 1 1 182 182 VAL N N 15 127.770 0.300 . 1 . . . . 182 VAL N . 18245 1 679 . 1 1 183 183 PRO C C 13 176.142 0.300 . 1 . . . . 183 PRO C . 18245 1 680 . 1 1 183 183 PRO CA C 13 62.988 0.300 . 1 . . . . 183 PRO CA . 18245 1 681 . 1 1 184 184 VAL H H 1 7.920 0.020 . 1 . . . . 184 VAL H . 18245 1 682 . 1 1 184 184 VAL C C 13 177.730 0.300 . 1 . . . . 184 VAL C . 18245 1 683 . 1 1 184 184 VAL CA C 13 62.335 0.300 . 1 . . . . 184 VAL CA . 18245 1 684 . 1 1 184 184 VAL N N 15 123.948 0.300 . 1 . . . . 184 VAL N . 18245 1 685 . 1 1 185 185 SER H H 1 9.768 0.020 . 1 . . . . 185 SER H . 18245 1 686 . 1 1 185 185 SER C C 13 175.856 0.300 . 1 . . . . 185 SER C . 18245 1 687 . 1 1 185 185 SER CA C 13 59.080 0.300 . 1 . . . . 185 SER CA . 18245 1 688 . 1 1 185 185 SER N N 15 128.053 0.300 . 1 . . . . 185 SER N . 18245 1 689 . 1 1 186 186 VAL H H 1 6.221 0.020 . 1 . . . . 186 VAL H . 18245 1 690 . 1 1 186 186 VAL C C 13 175.856 0.300 . 1 . . . . 186 VAL C . 18245 1 691 . 1 1 186 186 VAL CA C 13 61.576 0.300 . 1 . . . . 186 VAL CA . 18245 1 692 . 1 1 186 186 VAL N N 15 122.748 0.300 . 1 . . . . 186 VAL N . 18245 1 693 . 1 1 187 187 GLU H H 1 8.377 0.020 . 1 . . . . 187 GLU H . 18245 1 694 . 1 1 187 187 GLU C C 13 174.983 0.300 . 1 . . . . 187 GLU C . 18245 1 695 . 1 1 187 187 GLU CA C 13 55.796 0.300 . 1 . . . . 187 GLU CA . 18245 1 696 . 1 1 187 187 GLU N N 15 128.160 0.300 . 1 . . . . 187 GLU N . 18245 1 697 . 1 1 188 188 GLY H H 1 6.945 0.020 . 1 . . . . 188 GLY H . 18245 1 698 . 1 1 188 188 GLY C C 13 173.638 0.300 . 1 . . . . 188 GLY C . 18245 1 699 . 1 1 188 188 GLY CA C 13 48.327 0.300 . 1 . . . . 188 GLY CA . 18245 1 700 . 1 1 188 188 GLY N N 15 117.884 0.300 . 1 . . . . 188 GLY N . 18245 1 701 . 1 1 189 189 TYR H H 1 8.146 0.020 . 1 . . . . 189 TYR H . 18245 1 702 . 1 1 189 189 TYR C C 13 175.841 0.300 . 1 . . . . 189 TYR C . 18245 1 703 . 1 1 189 189 TYR CA C 13 58.199 0.300 . 1 . . . . 189 TYR CA . 18245 1 704 . 1 1 189 189 TYR N N 15 124.554 0.300 . 1 . . . . 189 TYR N . 18245 1 705 . 1 1 190 190 TRP H H 1 9.434 0.020 . 1 . . . . 190 TRP H . 18245 1 706 . 1 1 190 190 TRP C C 13 174.309 0.300 . 1 . . . . 190 TRP C . 18245 1 707 . 1 1 190 190 TRP CA C 13 56.640 0.300 . 1 . . . . 190 TRP CA . 18245 1 708 . 1 1 190 190 TRP N N 15 122.513 0.300 . 1 . . . . 190 TRP N . 18245 1 709 . 1 1 191 191 GLN H H 1 6.820 0.020 . 1 . . . . 191 GLN H . 18245 1 710 . 1 1 191 191 GLN C C 13 174.153 0.300 . 1 . . . . 191 GLN C . 18245 1 711 . 1 1 191 191 GLN CA C 13 53.892 0.300 . 1 . . . . 191 GLN CA . 18245 1 712 . 1 1 191 191 GLN N N 15 126.250 0.300 . 1 . . . . 191 GLN N . 18245 1 713 . 1 1 192 192 ILE H H 1 9.316 0.020 . 1 . . . . 192 ILE H . 18245 1 714 . 1 1 192 192 ILE C C 13 173.757 0.300 . 1 . . . . 192 ILE C . 18245 1 715 . 1 1 192 192 ILE CA C 13 59.317 0.300 . 1 . . . . 192 ILE CA . 18245 1 716 . 1 1 192 192 ILE N N 15 119.496 0.300 . 1 . . . . 192 ILE N . 18245 1 717 . 1 1 193 193 THR H H 1 8.507 0.020 . 1 . . . . 193 THR H . 18245 1 718 . 1 1 193 193 THR C C 13 174.633 0.300 . 1 . . . . 193 THR C . 18245 1 719 . 1 1 193 193 THR CA C 13 61.935 0.300 . 1 . . . . 193 THR CA . 18245 1 720 . 1 1 193 193 THR N N 15 117.620 0.300 . 1 . . . . 193 THR N . 18245 1 721 . 1 1 194 194 LEU H H 1 9.051 0.020 . 1 . . . . 194 LEU H . 18245 1 722 . 1 1 194 194 LEU C C 13 174.468 0.300 . 1 . . . . 194 LEU C . 18245 1 723 . 1 1 194 194 LEU CA C 13 53.022 0.300 . 1 . . . . 194 LEU CA . 18245 1 724 . 1 1 194 194 LEU N N 15 130.287 0.300 . 1 . . . . 194 LEU N . 18245 1 725 . 1 1 195 195 ASP C C 13 176.485 0.300 . 1 . . . . 195 ASP C . 18245 1 726 . 1 1 195 195 ASP CA C 13 57.013 0.300 . 1 . . . . 195 ASP CA . 18245 1 727 . 1 1 196 196 SER H H 1 6.972 0.020 . 1 . . . . 196 SER H . 18245 1 728 . 1 1 196 196 SER C C 13 172.422 0.300 . 1 . . . . 196 SER C . 18245 1 729 . 1 1 196 196 SER CA C 13 58.173 0.300 . 1 . . . . 196 SER CA . 18245 1 730 . 1 1 196 196 SER N N 15 105.214 0.300 . 1 . . . . 196 SER N . 18245 1 731 . 1 1 197 197 ILE H H 1 6.874 0.020 . 1 . . . . 197 ILE H . 18245 1 732 . 1 1 197 197 ILE C C 13 177.686 0.300 . 1 . . . . 197 ILE C . 18245 1 733 . 1 1 197 197 ILE CA C 13 61.037 0.300 . 1 . . . . 197 ILE CA . 18245 1 734 . 1 1 197 197 ILE N N 15 119.416 0.300 . 1 . . . . 197 ILE N . 18245 1 735 . 1 1 198 198 THR H H 1 8.786 0.020 . 1 . . . . 198 THR H . 18245 1 736 . 1 1 198 198 THR C C 13 172.894 0.300 . 1 . . . . 198 THR C . 18245 1 737 . 1 1 198 198 THR CA C 13 58.667 0.300 . 1 . . . . 198 THR CA . 18245 1 738 . 1 1 198 198 THR N N 15 117.308 0.300 . 1 . . . . 198 THR N . 18245 1 739 . 1 1 199 199 MET H H 1 8.541 0.020 . 1 . . . . 199 MET H . 18245 1 740 . 1 1 199 199 MET C C 13 175.698 0.300 . 1 . . . . 199 MET C . 18245 1 741 . 1 1 199 199 MET CA C 13 55.483 0.300 . 1 . . . . 199 MET CA . 18245 1 742 . 1 1 199 199 MET N N 15 119.710 0.300 . 1 . . . . 199 MET N . 18245 1 743 . 1 1 200 200 ASP H H 1 10.124 0.020 . 1 . . . . 200 ASP H . 18245 1 744 . 1 1 200 200 ASP C C 13 175.527 0.300 . 1 . . . . 200 ASP C . 18245 1 745 . 1 1 200 200 ASP CA C 13 54.510 0.300 . 1 . . . . 200 ASP CA . 18245 1 746 . 1 1 200 200 ASP N N 15 130.257 0.300 . 1 . . . . 200 ASP N . 18245 1 747 . 1 1 201 201 GLY H H 1 8.488 0.020 . 1 . . . . 201 GLY H . 18245 1 748 . 1 1 201 201 GLY C C 13 173.609 0.300 . 1 . . . . 201 GLY C . 18245 1 749 . 1 1 201 201 GLY CA C 13 44.952 0.300 . 1 . . . . 201 GLY CA . 18245 1 750 . 1 1 201 201 GLY N N 15 103.352 0.300 . 1 . . . . 201 GLY N . 18245 1 751 . 1 1 202 202 GLU H H 1 7.472 0.020 . 1 . . . . 202 GLU H . 18245 1 752 . 1 1 202 202 GLU C C 13 176.156 0.300 . 1 . . . . 202 GLU C . 18245 1 753 . 1 1 202 202 GLU CA C 13 53.677 0.300 . 1 . . . . 202 GLU CA . 18245 1 754 . 1 1 202 202 GLU N N 15 121.089 0.300 . 1 . . . . 202 GLU N . 18245 1 755 . 1 1 203 203 THR H H 1 8.938 0.020 . 1 . . . . 203 THR H . 18245 1 756 . 1 1 203 203 THR CA C 13 63.840 0.300 . 1 . . . . 203 THR CA . 18245 1 757 . 1 1 203 203 THR N N 15 122.472 0.300 . 1 . . . . 203 THR N . 18245 1 758 . 1 1 204 204 ILE C C 13 174.997 0.300 . 1 . . . . 204 ILE C . 18245 1 759 . 1 1 204 204 ILE CA C 13 60.675 0.300 . 1 . . . . 204 ILE CA . 18245 1 760 . 1 1 205 205 ALA H H 1 7.650 0.020 . 1 . . . . 205 ALA H . 18245 1 761 . 1 1 205 205 ALA C C 13 174.039 0.300 . 1 . . . . 205 ALA C . 18245 1 762 . 1 1 205 205 ALA CA C 13 51.305 0.300 . 1 . . . . 205 ALA CA . 18245 1 763 . 1 1 205 205 ALA N N 15 121.487 0.300 . 1 . . . . 205 ALA N . 18245 1 764 . 1 1 206 206 CYS C C 13 175.455 0.300 . 1 . . . . 206 CYS C . 18245 1 765 . 1 1 206 206 CYS CA C 13 57.331 0.300 . 1 . . . . 206 CYS CA . 18245 1 766 . 1 1 207 207 SER H H 1 8.054 0.020 . 1 . . . . 207 SER H . 18245 1 767 . 1 1 207 207 SER C C 13 177.072 0.300 . 1 . . . . 207 SER C . 18245 1 768 . 1 1 207 207 SER CA C 13 59.522 0.300 . 1 . . . . 207 SER CA . 18245 1 769 . 1 1 207 207 SER N N 15 112.909 0.300 . 1 . . . . 207 SER N . 18245 1 770 . 1 1 208 208 GLY H H 1 9.082 0.020 . 1 . . . . 208 GLY H . 18245 1 771 . 1 1 208 208 GLY CA C 13 44.880 0.300 . 1 . . . . 208 GLY CA . 18245 1 772 . 1 1 208 208 GLY N N 15 117.623 0.300 . 1 . . . . 208 GLY N . 18245 1 773 . 1 1 211 211 GLN C C 13 174.471 0.300 . 1 . . . . 211 GLN C . 18245 1 774 . 1 1 211 211 GLN CA C 13 53.492 0.300 . 1 . . . . 211 GLN CA . 18245 1 775 . 1 1 212 212 ALA H H 1 9.081 0.020 . 1 . . . . 212 ALA H . 18245 1 776 . 1 1 212 212 ALA C C 13 175.870 0.300 . 1 . . . . 212 ALA C . 18245 1 777 . 1 1 212 212 ALA CA C 13 48.847 0.300 . 1 . . . . 212 ALA CA . 18245 1 778 . 1 1 212 212 ALA N N 15 123.216 0.300 . 1 . . . . 212 ALA N . 18245 1 779 . 1 1 213 213 ILE H H 1 8.391 0.020 . 1 . . . . 213 ILE H . 18245 1 780 . 1 1 213 213 ILE C C 13 175.229 0.300 . 1 . . . . 213 ILE C . 18245 1 781 . 1 1 213 213 ILE CA C 13 57.829 0.300 . 1 . . . . 213 ILE CA . 18245 1 782 . 1 1 213 213 ILE N N 15 112.113 0.300 . 1 . . . . 213 ILE N . 18245 1 783 . 1 1 214 214 VAL C C 13 177.718 0.300 . 1 . . . . 214 VAL C . 18245 1 784 . 1 1 214 214 VAL CA C 13 62.615 0.300 . 1 . . . . 214 VAL CA . 18245 1 785 . 1 1 215 215 ASP H H 1 8.206 0.020 . 1 . . . . 215 ASP H . 18245 1 786 . 1 1 215 215 ASP C C 13 174.049 0.300 . 1 . . . . 215 ASP C . 18245 1 787 . 1 1 215 215 ASP CA C 13 51.769 0.300 . 1 . . . . 215 ASP CA . 18245 1 788 . 1 1 215 215 ASP N N 15 131.273 0.300 . 1 . . . . 215 ASP N . 18245 1 789 . 1 1 216 216 THR H H 1 8.586 0.020 . 1 . . . . 216 THR H . 18245 1 790 . 1 1 216 216 THR C C 13 177.686 0.300 . 1 . . . . 216 THR C . 18245 1 791 . 1 1 216 216 THR CA C 13 63.394 0.300 . 1 . . . . 216 THR CA . 18245 1 792 . 1 1 216 216 THR N N 15 113.794 0.300 . 1 . . . . 216 THR N . 18245 1 793 . 1 1 217 217 GLY H H 1 8.554 0.020 . 1 . . . . 217 GLY H . 18245 1 794 . 1 1 217 217 GLY CA C 13 45.145 0.300 . 1 . . . . 217 GLY CA . 18245 1 795 . 1 1 217 217 GLY N N 15 112.561 0.300 . 1 . . . . 217 GLY N . 18245 1 796 . 1 1 220 220 LEU C C 13 176.886 0.300 . 1 . . . . 220 LEU C . 18245 1 797 . 1 1 220 220 LEU CA C 13 51.658 0.300 . 1 . . . . 220 LEU CA . 18245 1 798 . 1 1 221 221 LEU H H 1 9.165 0.020 . 1 . . . . 221 LEU H . 18245 1 799 . 1 1 221 221 LEU C C 13 176.886 0.300 . 1 . . . . 221 LEU C . 18245 1 800 . 1 1 221 221 LEU CA C 13 53.937 0.300 . 1 . . . . 221 LEU CA . 18245 1 801 . 1 1 221 221 LEU N N 15 125.502 0.300 . 1 . . . . 221 LEU N . 18245 1 802 . 1 1 222 222 THR H H 1 8.779 0.020 . 1 . . . . 222 THR H . 18245 1 803 . 1 1 222 222 THR C C 13 173.432 0.300 . 1 . . . . 222 THR C . 18245 1 804 . 1 1 222 222 THR CA C 13 60.212 0.300 . 1 . . . . 222 THR CA . 18245 1 805 . 1 1 222 222 THR N N 15 119.904 0.300 . 1 . . . . 222 THR N . 18245 1 806 . 1 1 223 223 GLY H H 1 7.640 0.020 . 1 . . . . 223 GLY H . 18245 1 807 . 1 1 223 223 GLY CA C 13 43.424 0.300 . 1 . . . . 223 GLY CA . 18245 1 808 . 1 1 223 223 GLY N N 15 109.825 0.300 . 1 . . . . 223 GLY N . 18245 1 809 . 1 1 224 224 PRO C C 13 177.745 0.300 . 1 . . . . 224 PRO C . 18245 1 810 . 1 1 224 224 PRO CA C 13 62.221 0.300 . 1 . . . . 224 PRO CA . 18245 1 811 . 1 1 225 225 THR H H 1 8.420 0.020 . 1 . . . . 225 THR H . 18245 1 812 . 1 1 225 225 THR C C 13 177.556 0.300 . 1 . . . . 225 THR C . 18245 1 813 . 1 1 225 225 THR CA C 13 66.821 0.300 . 1 . . . . 225 THR CA . 18245 1 814 . 1 1 225 225 THR N N 15 119.490 0.300 . 1 . . . . 225 THR N . 18245 1 815 . 1 1 226 226 SER H H 1 8.773 0.020 . 1 . . . . 226 SER H . 18245 1 816 . 1 1 226 226 SER C C 13 175.770 0.300 . 1 . . . . 226 SER C . 18245 1 817 . 1 1 226 226 SER CA C 13 60.719 0.300 . 1 . . . . 226 SER CA . 18245 1 818 . 1 1 226 226 SER N N 15 117.234 0.300 . 1 . . . . 226 SER N . 18245 1 819 . 1 1 227 227 ALA H H 1 6.750 0.020 . 1 . . . . 227 ALA H . 18245 1 820 . 1 1 227 227 ALA C C 13 180.906 0.300 . 1 . . . . 227 ALA C . 18245 1 821 . 1 1 227 227 ALA CA C 13 53.750 0.300 . 1 . . . . 227 ALA CA . 18245 1 822 . 1 1 227 227 ALA N N 15 124.234 0.300 . 1 . . . . 227 ALA N . 18245 1 823 . 1 1 228 228 ILE H H 1 8.268 0.020 . 1 . . . . 228 ILE H . 18245 1 824 . 1 1 228 228 ILE C C 13 177.913 0.300 . 1 . . . . 228 ILE C . 18245 1 825 . 1 1 228 228 ILE CA C 13 60.748 0.300 . 1 . . . . 228 ILE CA . 18245 1 826 . 1 1 228 228 ILE N N 15 118.910 0.300 . 1 . . . . 228 ILE N . 18245 1 827 . 1 1 229 229 ALA H H 1 7.996 0.020 . 1 . . . . 229 ALA H . 18245 1 828 . 1 1 229 229 ALA C C 13 180.792 0.300 . 1 . . . . 229 ALA C . 18245 1 829 . 1 1 229 229 ALA CA C 13 55.483 0.300 . 1 . . . . 229 ALA CA . 18245 1 830 . 1 1 229 229 ALA N N 15 122.465 0.300 . 1 . . . . 229 ALA N . 18245 1 831 . 1 1 230 230 ASN H H 1 6.852 0.020 . 1 . . . . 230 ASN H . 18245 1 832 . 1 1 230 230 ASN C C 13 176.986 0.300 . 1 . . . . 230 ASN C . 18245 1 833 . 1 1 230 230 ASN CA C 13 55.296 0.300 . 1 . . . . 230 ASN CA . 18245 1 834 . 1 1 230 230 ASN N N 15 115.566 0.300 . 1 . . . . 230 ASN N . 18245 1 835 . 1 1 231 231 ILE H H 1 7.238 0.020 . 1 . . . . 231 ILE H . 18245 1 836 . 1 1 231 231 ILE C C 13 177.401 0.300 . 1 . . . . 231 ILE C . 18245 1 837 . 1 1 231 231 ILE CA C 13 66.128 0.300 . 1 . . . . 231 ILE CA . 18245 1 838 . 1 1 231 231 ILE N N 15 121.965 0.300 . 1 . . . . 231 ILE N . 18245 1 839 . 1 1 232 232 GLN H H 1 8.533 0.020 . 1 . . . . 232 GLN H . 18245 1 840 . 1 1 232 232 GLN C C 13 179.342 0.300 . 1 . . . . 232 GLN C . 18245 1 841 . 1 1 232 232 GLN CA C 13 57.413 0.300 . 1 . . . . 232 GLN CA . 18245 1 842 . 1 1 232 232 GLN N N 15 115.514 0.300 . 1 . . . . 232 GLN N . 18245 1 843 . 1 1 233 233 SER H H 1 7.329 0.020 . 1 . . . . 233 SER H . 18245 1 844 . 1 1 233 233 SER C C 13 177.802 0.300 . 1 . . . . 233 SER C . 18245 1 845 . 1 1 233 233 SER CA C 13 60.920 0.300 . 1 . . . . 233 SER CA . 18245 1 846 . 1 1 233 233 SER N N 15 112.041 0.300 . 1 . . . . 233 SER N . 18245 1 847 . 1 1 234 234 ASP H H 1 8.030 0.020 . 1 . . . . 234 ASP H . 18245 1 848 . 1 1 234 234 ASP C C 13 177.387 0.300 . 1 . . . . 234 ASP C . 18245 1 849 . 1 1 234 234 ASP CA C 13 55.483 0.300 . 1 . . . . 234 ASP CA . 18245 1 850 . 1 1 234 234 ASP N N 15 122.181 0.300 . 1 . . . . 234 ASP N . 18245 1 851 . 1 1 235 235 ILE H H 1 7.693 0.020 . 1 . . . . 235 ILE H . 18245 1 852 . 1 1 235 235 ILE C C 13 174.840 0.300 . 1 . . . . 235 ILE C . 18245 1 853 . 1 1 235 235 ILE CA C 13 61.320 0.300 . 1 . . . . 235 ILE CA . 18245 1 854 . 1 1 235 235 ILE N N 15 111.504 0.300 . 1 . . . . 235 ILE N . 18245 1 855 . 1 1 236 236 GLY H H 1 7.448 0.020 . 1 . . . . 236 GLY H . 18245 1 856 . 1 1 236 236 GLY C C 13 174.954 0.300 . 1 . . . . 236 GLY C . 18245 1 857 . 1 1 236 236 GLY CA C 13 45.860 0.300 . 1 . . . . 236 GLY CA . 18245 1 858 . 1 1 236 236 GLY N N 15 108.719 0.300 . 1 . . . . 236 GLY N . 18245 1 859 . 1 1 237 237 ALA H H 1 8.320 0.020 . 1 . . . . 237 ALA H . 18245 1 860 . 1 1 237 237 ALA C C 13 176.843 0.300 . 1 . . . . 237 ALA C . 18245 1 861 . 1 1 237 237 ALA CA C 13 50.730 0.300 . 1 . . . . 237 ALA CA . 18245 1 862 . 1 1 237 237 ALA N N 15 124.237 0.300 . 1 . . . . 237 ALA N . 18245 1 863 . 1 1 238 238 SER H H 1 8.699 0.020 . 1 . . . . 238 SER H . 18245 1 864 . 1 1 238 238 SER C C 13 172.808 0.300 . 1 . . . . 238 SER C . 18245 1 865 . 1 1 238 238 SER CA C 13 57.257 0.300 . 1 . . . . 238 SER CA . 18245 1 866 . 1 1 238 238 SER N N 15 116.545 0.300 . 1 . . . . 238 SER N . 18245 1 867 . 1 1 239 239 GLU H H 1 8.516 0.020 . 1 . . . . 239 GLU H . 18245 1 868 . 1 1 239 239 GLU C C 13 177.787 0.300 . 1 . . . . 239 GLU C . 18245 1 869 . 1 1 239 239 GLU CA C 13 55.940 0.300 . 1 . . . . 239 GLU CA . 18245 1 870 . 1 1 239 239 GLU N N 15 125.587 0.300 . 1 . . . . 239 GLU N . 18245 1 871 . 1 1 240 240 ASN H H 1 8.897 0.020 . 1 . . . . 240 ASN H . 18245 1 872 . 1 1 240 240 ASN C C 13 177.845 0.300 . 1 . . . . 240 ASN C . 18245 1 873 . 1 1 240 240 ASN CA C 13 50.504 0.300 . 1 . . . . 240 ASN CA . 18245 1 874 . 1 1 240 240 ASN N N 15 126.602 0.300 . 1 . . . . 240 ASN N . 18245 1 875 . 1 1 241 241 SER H H 1 8.189 0.020 . 1 . . . . 241 SER H . 18245 1 876 . 1 1 241 241 SER C C 13 174.368 0.300 . 1 . . . . 241 SER C . 18245 1 877 . 1 1 241 241 SER CA C 13 60.805 0.300 . 1 . . . . 241 SER CA . 18245 1 878 . 1 1 241 241 SER N N 15 113.647 0.300 . 1 . . . . 241 SER N . 18245 1 879 . 1 1 242 242 ASP H H 1 7.252 0.020 . 1 . . . . 242 ASP H . 18245 1 880 . 1 1 242 242 ASP C C 13 176.185 0.300 . 1 . . . . 242 ASP C . 18245 1 881 . 1 1 242 242 ASP CA C 13 56.627 0.300 . 1 . . . . 242 ASP CA . 18245 1 882 . 1 1 242 242 ASP N N 15 119.345 0.300 . 1 . . . . 242 ASP N . 18245 1 883 . 1 1 243 243 GLY H H 1 7.850 0.020 . 1 . . . . 243 GLY H . 18245 1 884 . 1 1 243 243 GLY C C 13 174.182 0.300 . 1 . . . . 243 GLY C . 18245 1 885 . 1 1 243 243 GLY CA C 13 45.124 0.300 . 1 . . . . 243 GLY CA . 18245 1 886 . 1 1 243 243 GLY N N 15 108.241 0.300 . 1 . . . . 243 GLY N . 18245 1 887 . 1 1 244 244 GLU H H 1 7.738 0.020 . 1 . . . . 244 GLU H . 18245 1 888 . 1 1 244 244 GLU C C 13 175.212 0.300 . 1 . . . . 244 GLU C . 18245 1 889 . 1 1 244 244 GLU CA C 13 54.452 0.300 . 1 . . . . 244 GLU CA . 18245 1 890 . 1 1 244 244 GLU N N 15 120.346 0.300 . 1 . . . . 244 GLU N . 18245 1 891 . 1 1 245 245 MET H H 1 8.733 0.020 . 1 . . . . 245 MET H . 18245 1 892 . 1 1 245 245 MET C C 13 175.023 0.300 . 1 . . . . 245 MET C . 18245 1 893 . 1 1 245 245 MET CA C 13 52.220 0.300 . 1 . . . . 245 MET CA . 18245 1 894 . 1 1 245 245 MET N N 15 123.469 0.300 . 1 . . . . 245 MET N . 18245 1 895 . 1 1 246 246 VAL H H 1 8.360 0.020 . 1 . . . . 246 VAL H . 18245 1 896 . 1 1 246 246 VAL C C 13 175.212 0.300 . 1 . . . . 246 VAL C . 18245 1 897 . 1 1 246 246 VAL CA C 13 61.206 0.300 . 1 . . . . 246 VAL CA . 18245 1 898 . 1 1 246 246 VAL N N 15 122.832 0.300 . 1 . . . . 246 VAL N . 18245 1 899 . 1 1 247 247 ILE H H 1 7.936 0.020 . 1 . . . . 247 ILE H . 18245 1 900 . 1 1 247 247 ILE C C 13 174.439 0.300 . 1 . . . . 247 ILE C . 18245 1 901 . 1 1 247 247 ILE CA C 13 58.917 0.300 . 1 . . . . 247 ILE CA . 18245 1 902 . 1 1 247 247 ILE N N 15 122.288 0.300 . 1 . . . . 247 ILE N . 18245 1 903 . 1 1 248 248 SER H H 1 8.660 0.020 . 1 . . . . 248 SER H . 18245 1 904 . 1 1 248 248 SER C C 13 177.902 0.300 . 1 . . . . 248 SER C . 18245 1 905 . 1 1 248 248 SER CA C 13 58.287 0.300 . 1 . . . . 248 SER CA . 18245 1 906 . 1 1 248 248 SER N N 15 120.879 0.300 . 1 . . . . 248 SER N . 18245 1 907 . 1 1 249 249 CYS H H 1 9.399 0.020 . 1 . . . . 249 CYS H . 18245 1 908 . 1 1 249 249 CYS C C 13 177.558 0.300 . 1 . . . . 249 CYS C . 18245 1 909 . 1 1 249 249 CYS CA C 13 55.940 0.300 . 1 . . . . 249 CYS CA . 18245 1 910 . 1 1 249 249 CYS N N 15 129.041 0.300 . 1 . . . . 249 CYS N . 18245 1 911 . 1 1 250 250 SER H H 1 8.235 0.020 . 1 . . . . 250 SER H . 18245 1 912 . 1 1 250 250 SER C C 13 175.856 0.300 . 1 . . . . 250 SER C . 18245 1 913 . 1 1 250 250 SER CA C 13 60.118 0.300 . 1 . . . . 250 SER CA . 18245 1 914 . 1 1 250 250 SER N N 15 115.539 0.300 . 1 . . . . 250 SER N . 18245 1 915 . 1 1 251 251 SER H H 1 7.774 0.020 . 1 . . . . 251 SER H . 18245 1 916 . 1 1 251 251 SER C C 13 175.250 0.300 . 1 . . . . 251 SER C . 18245 1 917 . 1 1 251 251 SER CA C 13 59.874 0.300 . 1 . . . . 251 SER CA . 18245 1 918 . 1 1 251 251 SER N N 15 118.217 0.300 . 1 . . . . 251 SER N . 18245 1 919 . 1 1 252 252 ILE H H 1 7.201 0.020 . 1 . . . . 252 ILE H . 18245 1 920 . 1 1 252 252 ILE C C 13 176.500 0.300 . 1 . . . . 252 ILE C . 18245 1 921 . 1 1 252 252 ILE CA C 13 65.540 0.300 . 1 . . . . 252 ILE CA . 18245 1 922 . 1 1 252 252 ILE N N 15 121.806 0.300 . 1 . . . . 252 ILE N . 18245 1 923 . 1 1 253 253 ASP H H 1 7.470 0.020 . 1 . . . . 253 ASP H . 18245 1 924 . 1 1 253 253 ASP C C 13 176.299 0.300 . 1 . . . . 253 ASP C . 18245 1 925 . 1 1 253 253 ASP CA C 13 55.082 0.300 . 1 . . . . 253 ASP CA . 18245 1 926 . 1 1 253 253 ASP N N 15 114.948 0.300 . 1 . . . . 253 ASP N . 18245 1 927 . 1 1 254 254 SER H H 1 7.532 0.020 . 1 . . . . 254 SER H . 18245 1 928 . 1 1 254 254 SER C C 13 174.725 0.300 . 1 . . . . 254 SER C . 18245 1 929 . 1 1 254 254 SER CA C 13 58.115 0.300 . 1 . . . . 254 SER CA . 18245 1 930 . 1 1 254 254 SER N N 15 112.610 0.300 . 1 . . . . 254 SER N . 18245 1 931 . 1 1 255 255 LEU H H 1 7.260 0.020 . 1 . . . . 255 LEU H . 18245 1 932 . 1 1 255 255 LEU CA C 13 53.292 0.300 . 1 . . . . 255 LEU CA . 18245 1 933 . 1 1 255 255 LEU N N 15 125.898 0.300 . 1 . . . . 255 LEU N . 18245 1 934 . 1 1 256 256 PRO C C 13 175.970 0.300 . 1 . . . . 256 PRO C . 18245 1 935 . 1 1 256 256 PRO CA C 13 61.248 0.300 . 1 . . . . 256 PRO CA . 18245 1 936 . 1 1 257 257 ASP H H 1 8.426 0.020 . 1 . . . . 257 ASP H . 18245 1 937 . 1 1 257 257 ASP C C 13 176.585 0.300 . 1 . . . . 257 ASP C . 18245 1 938 . 1 1 257 257 ASP CA C 13 54.681 0.300 . 1 . . . . 257 ASP CA . 18245 1 939 . 1 1 257 257 ASP N N 15 119.441 0.300 . 1 . . . . 257 ASP N . 18245 1 940 . 1 1 258 258 ILE H H 1 8.650 0.020 . 1 . . . . 258 ILE H . 18245 1 941 . 1 1 258 258 ILE C C 13 174.934 0.300 . 1 . . . . 258 ILE C . 18245 1 942 . 1 1 258 258 ILE CA C 13 61.076 0.300 . 1 . . . . 258 ILE CA . 18245 1 943 . 1 1 258 258 ILE N N 15 123.516 0.300 . 1 . . . . 258 ILE N . 18245 1 944 . 1 1 259 259 VAL H H 1 8.957 0.020 . 1 . . . . 259 VAL H . 18245 1 945 . 1 1 259 259 VAL C C 13 175.526 0.300 . 1 . . . . 259 VAL C . 18245 1 946 . 1 1 259 259 VAL CA C 13 62.236 0.300 . 1 . . . . 259 VAL CA . 18245 1 947 . 1 1 259 259 VAL N N 15 127.507 0.300 . 1 . . . . 259 VAL N . 18245 1 948 . 1 1 260 260 PHE H H 1 8.262 0.020 . 1 . . . . 260 PHE H . 18245 1 949 . 1 1 260 260 PHE C C 13 175.143 0.300 . 1 . . . . 260 PHE C . 18245 1 950 . 1 1 260 260 PHE CA C 13 56.419 0.300 . 1 . . . . 260 PHE CA . 18245 1 951 . 1 1 260 260 PHE N N 15 131.728 0.300 . 1 . . . . 260 PHE N . 18245 1 952 . 1 1 261 261 THR H H 1 8.165 0.020 . 1 . . . . 261 THR H . 18245 1 953 . 1 1 261 261 THR C C 13 173.505 0.300 . 1 . . . . 261 THR C . 18245 1 954 . 1 1 261 261 THR CA C 13 62.792 0.300 . 1 . . . . 261 THR CA . 18245 1 955 . 1 1 261 261 THR N N 15 123.660 0.300 . 1 . . . . 261 THR N . 18245 1 956 . 1 1 262 262 ILE H H 1 9.185 0.020 . 1 . . . . 262 ILE H . 18245 1 957 . 1 1 262 262 ILE C C 13 176.385 0.300 . 1 . . . . 262 ILE C . 18245 1 958 . 1 1 262 262 ILE CA C 13 61.127 0.300 . 1 . . . . 262 ILE CA . 18245 1 959 . 1 1 262 262 ILE N N 15 127.541 0.300 . 1 . . . . 262 ILE N . 18245 1 960 . 1 1 263 263 ASN H H 1 10.332 0.020 . 1 . . . . 263 ASN H . 18245 1 961 . 1 1 263 263 ASN C C 13 175.326 0.300 . 1 . . . . 263 ASN C . 18245 1 962 . 1 1 263 263 ASN CA C 13 53.183 0.300 . 1 . . . . 263 ASN CA . 18245 1 963 . 1 1 263 263 ASN N N 15 134.525 0.300 . 1 . . . . 263 ASN N . 18245 1 964 . 1 1 264 264 GLY H H 1 8.113 0.020 . 1 . . . . 264 GLY H . 18245 1 965 . 1 1 264 264 GLY C C 13 173.152 0.300 . 1 . . . . 264 GLY C . 18245 1 966 . 1 1 264 264 GLY CA C 13 45.207 0.300 . 1 . . . . 264 GLY CA . 18245 1 967 . 1 1 264 264 GLY N N 15 101.763 0.300 . 1 . . . . 264 GLY N . 18245 1 968 . 1 1 265 265 VAL H H 1 7.571 0.020 . 1 . . . . 265 VAL H . 18245 1 969 . 1 1 265 265 VAL C C 13 173.993 0.300 . 1 . . . . 265 VAL C . 18245 1 970 . 1 1 265 265 VAL CA C 13 60.977 0.300 . 1 . . . . 265 VAL CA . 18245 1 971 . 1 1 265 265 VAL N N 15 124.659 0.300 . 1 . . . . 265 VAL N . 18245 1 972 . 1 1 266 266 GLN H H 1 8.032 0.020 . 1 . . . . 266 GLN H . 18245 1 973 . 1 1 266 266 GLN C C 13 175.298 0.300 . 1 . . . . 266 GLN C . 18245 1 974 . 1 1 266 266 GLN CA C 13 56.841 0.300 . 1 . . . . 266 GLN CA . 18245 1 975 . 1 1 266 266 GLN N N 15 124.207 0.300 . 1 . . . . 266 GLN N . 18245 1 976 . 1 1 267 267 TYR H H 1 8.698 0.020 . 1 . . . . 267 TYR H . 18245 1 977 . 1 1 267 267 TYR CA C 13 55.982 0.300 . 1 . . . . 267 TYR CA . 18245 1 978 . 1 1 267 267 TYR N N 15 122.202 0.300 . 1 . . . . 267 TYR N . 18245 1 979 . 1 1 268 268 PRO C C 13 178.145 0.300 . 1 . . . . 268 PRO C . 18245 1 980 . 1 1 268 268 PRO CA C 13 62.221 0.300 . 1 . . . . 268 PRO CA . 18245 1 981 . 1 1 269 269 LEU H H 1 9.451 0.020 . 1 . . . . 269 LEU H . 18245 1 982 . 1 1 269 269 LEU C C 13 175.283 0.300 . 1 . . . . 269 LEU C . 18245 1 983 . 1 1 269 269 LEU CA C 13 53.750 0.300 . 1 . . . . 269 LEU CA . 18245 1 984 . 1 1 269 269 LEU N N 15 123.924 0.300 . 1 . . . . 269 LEU N . 18245 1 985 . 1 1 270 270 SER H H 1 8.753 0.020 . 1 . . . . 270 SER H . 18245 1 986 . 1 1 270 270 SER CA C 13 56.112 0.300 . 1 . . . . 270 SER CA . 18245 1 987 . 1 1 270 270 SER N N 15 121.960 0.300 . 1 . . . . 270 SER N . 18245 1 988 . 1 1 271 271 PRO C C 13 176.257 0.300 . 1 . . . . 271 PRO C . 18245 1 989 . 1 1 271 271 PRO CA C 13 64.739 0.300 . 1 . . . . 271 PRO CA . 18245 1 990 . 1 1 272 272 SER H H 1 7.380 0.020 . 1 . . . . 272 SER H . 18245 1 991 . 1 1 272 272 SER C C 13 174.067 0.300 . 1 . . . . 272 SER C . 18245 1 992 . 1 1 272 272 SER CA C 13 60.176 0.300 . 1 . . . . 272 SER CA . 18245 1 993 . 1 1 272 272 SER N N 15 108.019 0.300 . 1 . . . . 272 SER N . 18245 1 994 . 1 1 273 273 ALA H H 1 7.920 0.020 . 1 . . . . 273 ALA H . 18245 1 995 . 1 1 273 273 ALA C C 13 178.374 0.300 . 1 . . . . 273 ALA C . 18245 1 996 . 1 1 273 273 ALA CA C 13 52.850 0.300 . 1 . . . . 273 ALA CA . 18245 1 997 . 1 1 273 273 ALA N N 15 122.926 0.300 . 1 . . . . 273 ALA N . 18245 1 998 . 1 1 274 274 TYR H H 1 7.585 0.020 . 1 . . . . 274 TYR H . 18245 1 999 . 1 1 274 274 TYR C C 13 172.264 0.300 . 1 . . . . 274 TYR C . 18245 1 1000 . 1 1 274 274 TYR CA C 13 57.779 0.300 . 1 . . . . 274 TYR CA . 18245 1 1001 . 1 1 274 274 TYR N N 15 112.451 0.300 . 1 . . . . 274 TYR N . 18245 1 1002 . 1 1 275 275 ILE H H 1 7.372 0.020 . 1 . . . . 275 ILE H . 18245 1 1003 . 1 1 275 275 ILE C C 13 175.012 0.300 . 1 . . . . 275 ILE C . 18245 1 1004 . 1 1 275 275 ILE CA C 13 59.489 0.300 . 1 . . . . 275 ILE CA . 18245 1 1005 . 1 1 275 275 ILE N N 15 123.012 0.300 . 1 . . . . 275 ILE N . 18245 1 1006 . 1 1 276 276 LEU H H 1 8.746 0.020 . 1 . . . . 276 LEU H . 18245 1 1007 . 1 1 276 276 LEU C C 13 176.328 0.300 . 1 . . . . 276 LEU C . 18245 1 1008 . 1 1 276 276 LEU CA C 13 54.172 0.300 . 1 . . . . 276 LEU CA . 18245 1 1009 . 1 1 276 276 LEU N N 15 128.816 0.300 . 1 . . . . 276 LEU N . 18245 1 1010 . 1 1 277 277 GLN H H 1 8.529 0.020 . 1 . . . . 277 GLN H . 18245 1 1011 . 1 1 277 277 GLN C C 13 174.840 0.300 . 1 . . . . 277 GLN C . 18245 1 1012 . 1 1 277 277 GLN CA C 13 54.888 0.300 . 1 . . . . 277 GLN CA . 18245 1 1013 . 1 1 277 277 GLN N N 15 123.911 0.300 . 1 . . . . 277 GLN N . 18245 1 1014 . 1 1 278 278 ASP H H 1 8.376 0.020 . 1 . . . . 278 ASP H . 18245 1 1015 . 1 1 278 278 ASP C C 13 175.283 0.300 . 1 . . . . 278 ASP C . 18245 1 1016 . 1 1 278 278 ASP CA C 13 52.564 0.300 . 1 . . . . 278 ASP CA . 18245 1 1017 . 1 1 278 278 ASP N N 15 125.545 0.300 . 1 . . . . 278 ASP N . 18245 1 1018 . 1 1 279 279 ASP H H 1 8.843 0.020 . 1 . . . . 279 ASP H . 18245 1 1019 . 1 1 279 279 ASP C C 13 174.983 0.300 . 1 . . . . 279 ASP C . 18245 1 1020 . 1 1 279 279 ASP CA C 13 55.868 0.300 . 1 . . . . 279 ASP CA . 18245 1 1021 . 1 1 279 279 ASP N N 15 123.516 0.300 . 1 . . . . 279 ASP N . 18245 1 1022 . 1 1 280 280 ASP H H 1 8.321 0.020 . 1 . . . . 280 ASP H . 18245 1 1023 . 1 1 280 280 ASP C C 13 175.250 0.300 . 1 . . . . 280 ASP C . 18245 1 1024 . 1 1 280 280 ASP CA C 13 54.166 0.300 . 1 . . . . 280 ASP CA . 18245 1 1025 . 1 1 280 280 ASP N N 15 118.538 0.300 . 1 . . . . 280 ASP N . 18245 1 1026 . 1 1 281 281 SER H H 1 7.859 0.020 . 1 . . . . 281 SER H . 18245 1 1027 . 1 1 281 281 SER C C 13 173.323 0.300 . 1 . . . . 281 SER C . 18245 1 1028 . 1 1 281 281 SER CA C 13 57.657 0.300 . 1 . . . . 281 SER CA . 18245 1 1029 . 1 1 281 281 SER N N 15 115.646 0.300 . 1 . . . . 281 SER N . 18245 1 1030 . 1 1 282 282 CYS H H 1 8.951 0.020 . 1 . . . . 282 CYS H . 18245 1 1031 . 1 1 282 282 CYS C C 13 173.566 0.300 . 1 . . . . 282 CYS C . 18245 1 1032 . 1 1 282 282 CYS CA C 13 57.871 0.300 . 1 . . . . 282 CYS CA . 18245 1 1033 . 1 1 282 282 CYS N N 15 123.586 0.300 . 1 . . . . 282 CYS N . 18245 1 1034 . 1 1 283 283 THR H H 1 8.785 0.020 . 1 . . . . 283 THR H . 18245 1 1035 . 1 1 283 283 THR C C 13 173.752 0.300 . 1 . . . . 283 THR C . 18245 1 1036 . 1 1 283 283 THR CA C 13 59.322 0.300 . 1 . . . . 283 THR CA . 18245 1 1037 . 1 1 283 283 THR N N 15 114.170 0.300 . 1 . . . . 283 THR N . 18245 1 1038 . 1 1 284 284 SER H H 1 8.168 0.020 . 1 . . . . 284 SER H . 18245 1 1039 . 1 1 284 284 SER C C 13 175.498 0.300 . 1 . . . . 284 SER C . 18245 1 1040 . 1 1 284 284 SER CA C 13 58.458 0.300 . 1 . . . . 284 SER CA . 18245 1 1041 . 1 1 284 284 SER N N 15 113.479 0.300 . 1 . . . . 284 SER N . 18245 1 1042 . 1 1 285 285 GLY H H 1 8.732 0.020 . 1 . . . . 285 GLY H . 18245 1 1043 . 1 1 285 285 GLY C C 13 170.605 0.300 . 1 . . . . 285 GLY C . 18245 1 1044 . 1 1 285 285 GLY CA C 13 45.624 0.300 . 1 . . . . 285 GLY CA . 18245 1 1045 . 1 1 285 285 GLY N N 15 116.854 0.300 . 1 . . . . 285 GLY N . 18245 1 1046 . 1 1 286 286 PHE H H 1 7.978 0.020 . 1 . . . . 286 PHE H . 18245 1 1047 . 1 1 286 286 PHE C C 13 176.271 0.300 . 1 . . . . 286 PHE C . 18245 1 1048 . 1 1 286 286 PHE CA C 13 55.991 0.300 . 1 . . . . 286 PHE CA . 18245 1 1049 . 1 1 286 286 PHE N N 15 116.127 0.300 . 1 . . . . 286 PHE N . 18245 1 1050 . 1 1 287 287 GLU H H 1 8.756 0.020 . 1 . . . . 287 GLU H . 18245 1 1051 . 1 1 287 287 GLU C C 13 173.981 0.300 . 1 . . . . 287 GLU C . 18245 1 1052 . 1 1 287 287 GLU CA C 13 54.107 0.300 . 1 . . . . 287 GLU CA . 18245 1 1053 . 1 1 287 287 GLU N N 15 122.298 0.300 . 1 . . . . 287 GLU N . 18245 1 1054 . 1 1 288 288 GLY H H 1 8.603 0.020 . 1 . . . . 288 GLY H . 18245 1 1055 . 1 1 288 288 GLY C C 13 173.107 0.300 . 1 . . . . 288 GLY C . 18245 1 1056 . 1 1 288 288 GLY CA C 13 44.437 0.300 . 1 . . . . 288 GLY CA . 18245 1 1057 . 1 1 288 288 GLY N N 15 113.983 0.300 . 1 . . . . 288 GLY N . 18245 1 1058 . 1 1 289 289 MET H H 1 8.837 0.020 . 1 . . . . 289 MET H . 18245 1 1059 . 1 1 289 289 MET C C 13 173.781 0.300 . 1 . . . . 289 MET C . 18245 1 1060 . 1 1 289 289 MET CA C 13 55.731 0.300 . 1 . . . . 289 MET CA . 18245 1 1061 . 1 1 289 289 MET N N 15 126.510 0.300 . 1 . . . . 289 MET N . 18245 1 1062 . 1 1 290 290 ASP H H 1 8.820 0.020 . 1 . . . . 290 ASP H . 18245 1 1063 . 1 1 290 290 ASP CA C 13 54.432 0.300 . 1 . . . . 290 ASP CA . 18245 1 1064 . 1 1 290 290 ASP N N 15 128.647 0.300 . 1 . . . . 290 ASP N . 18245 1 1065 . 1 1 292 292 PRO C C 13 177.166 0.300 . 1 . . . . 292 PRO C . 18245 1 1066 . 1 1 292 292 PRO CA C 13 62.965 0.300 . 1 . . . . 292 PRO CA . 18245 1 1067 . 1 1 293 293 THR H H 1 7.711 0.020 . 1 . . . . 293 THR H . 18245 1 1068 . 1 1 293 293 THR C C 13 175.640 0.300 . 1 . . . . 293 THR C . 18245 1 1069 . 1 1 293 293 THR CA C 13 60.667 0.300 . 1 . . . . 293 THR CA . 18245 1 1070 . 1 1 293 293 THR N N 15 113.712 0.300 . 1 . . . . 293 THR N . 18245 1 1071 . 1 1 294 294 SER H H 1 8.549 0.020 . 1 . . . . 294 SER H . 18245 1 1072 . 1 1 294 294 SER C C 13 175.582 0.300 . 1 . . . . 294 SER C . 18245 1 1073 . 1 1 294 294 SER CA C 13 60.103 0.300 . 1 . . . . 294 SER CA . 18245 1 1074 . 1 1 294 294 SER N N 15 117.717 0.300 . 1 . . . . 294 SER N . 18245 1 1075 . 1 1 295 295 SER H H 1 7.979 0.020 . 1 . . . . 295 SER H . 18245 1 1076 . 1 1 295 295 SER C C 13 173.919 0.300 . 1 . . . . 295 SER C . 18245 1 1077 . 1 1 295 295 SER CA C 13 57.874 0.300 . 1 . . . . 295 SER CA . 18245 1 1078 . 1 1 295 295 SER N N 15 116.069 0.300 . 1 . . . . 295 SER N . 18245 1 1079 . 1 1 296 296 GLY H H 1 7.595 0.020 . 1 . . . . 296 GLY H . 18245 1 1080 . 1 1 296 296 GLY C C 13 173.497 0.300 . 1 . . . . 296 GLY C . 18245 1 1081 . 1 1 296 296 GLY CA C 13 44.366 0.300 . 1 . . . . 296 GLY CA . 18245 1 1082 . 1 1 296 296 GLY N N 15 110.998 0.300 . 1 . . . . 296 GLY N . 18245 1 1083 . 1 1 297 297 GLU H H 1 8.294 0.020 . 1 . . . . 297 GLU H . 18245 1 1084 . 1 1 297 297 GLU C C 13 176.192 0.300 . 1 . . . . 297 GLU C . 18245 1 1085 . 1 1 297 297 GLU CA C 13 56.121 0.300 . 1 . . . . 297 GLU CA . 18245 1 1086 . 1 1 297 297 GLU N N 15 121.346 0.300 . 1 . . . . 297 GLU N . 18245 1 1087 . 1 1 298 298 LEU H H 1 7.922 0.020 . 1 . . . . 298 LEU H . 18245 1 1088 . 1 1 298 298 LEU C C 13 174.926 0.300 . 1 . . . . 298 LEU C . 18245 1 1089 . 1 1 298 298 LEU CA C 13 54.497 0.300 . 1 . . . . 298 LEU CA . 18245 1 1090 . 1 1 298 298 LEU N N 15 124.623 0.300 . 1 . . . . 298 LEU N . 18245 1 1091 . 1 1 299 299 TRP H H 1 8.691 0.020 . 1 . . . . 299 TRP H . 18245 1 1092 . 1 1 299 299 TRP C C 13 175.398 0.300 . 1 . . . . 299 TRP C . 18245 1 1093 . 1 1 299 299 TRP CA C 13 56.835 0.300 . 1 . . . . 299 TRP CA . 18245 1 1094 . 1 1 299 299 TRP N N 15 125.638 0.300 . 1 . . . . 299 TRP N . 18245 1 1095 . 1 1 300 300 ILE H H 1 9.475 0.020 . 1 . . . . 300 ILE H . 18245 1 1096 . 1 1 300 300 ILE C C 13 175.944 0.300 . 1 . . . . 300 ILE C . 18245 1 1097 . 1 1 300 300 ILE CA C 13 61.121 0.300 . 1 . . . . 300 ILE CA . 18245 1 1098 . 1 1 300 300 ILE N N 15 121.744 0.300 . 1 . . . . 300 ILE N . 18245 1 1099 . 1 1 301 301 LEU H H 1 9.010 0.020 . 1 . . . . 301 LEU H . 18245 1 1100 . 1 1 301 301 LEU C C 13 175.112 0.300 . 1 . . . . 301 LEU C . 18245 1 1101 . 1 1 301 301 LEU CA C 13 52.623 0.300 . 1 . . . . 301 LEU CA . 18245 1 1102 . 1 1 301 301 LEU N N 15 127.993 0.300 . 1 . . . . 301 LEU N . 18245 1 1103 . 1 1 302 302 GLY H H 1 6.422 0.020 . 1 . . . . 302 GLY H . 18245 1 1104 . 1 1 302 302 GLY C C 13 176.872 0.300 . 1 . . . . 302 GLY C . 18245 1 1105 . 1 1 302 302 GLY CA C 13 43.121 0.300 . 1 . . . . 302 GLY CA . 18245 1 1106 . 1 1 302 302 GLY N N 15 109.099 0.300 . 1 . . . . 302 GLY N . 18245 1 1107 . 1 1 303 303 ASP H H 1 9.288 0.020 . 1 . . . . 303 ASP H . 18245 1 1108 . 1 1 303 303 ASP C C 13 175.298 0.300 . 1 . . . . 303 ASP C . 18245 1 1109 . 1 1 303 303 ASP CA C 13 57.614 0.300 . 1 . . . . 303 ASP CA . 18245 1 1110 . 1 1 303 303 ASP N N 15 121.541 0.300 . 1 . . . . 303 ASP N . 18245 1 1111 . 1 1 304 304 VAL H H 1 6.886 0.020 . 1 . . . . 304 VAL H . 18245 1 1112 . 1 1 304 304 VAL C C 13 176.190 0.300 . 1 . . . . 304 VAL C . 18245 1 1113 . 1 1 304 304 VAL CA C 13 65.326 0.300 . 1 . . . . 304 VAL CA . 18245 1 1114 . 1 1 304 304 VAL N N 15 115.644 0.300 . 1 . . . . 304 VAL N . 18245 1 1115 . 1 1 305 305 PHE H H 1 7.135 0.020 . 1 . . . . 305 PHE H . 18245 1 1116 . 1 1 305 305 PHE CA C 13 60.462 0.300 . 1 . . . . 305 PHE CA . 18245 1 1117 . 1 1 305 305 PHE N N 15 115.971 0.300 . 1 . . . . 305 PHE N . 18245 1 1118 . 1 1 306 306 ILE C C 13 176.614 0.300 . 1 . . . . 306 ILE C . 18245 1 1119 . 1 1 306 306 ILE CA C 13 63.880 0.300 . 1 . . . . 306 ILE CA . 18245 1 1120 . 1 1 307 307 ARG H H 1 8.191 0.020 . 1 . . . . 307 ARG H . 18245 1 1121 . 1 1 307 307 ARG C C 13 177.673 0.300 . 1 . . . . 307 ARG C . 18245 1 1122 . 1 1 307 307 ARG CA C 13 59.187 0.300 . 1 . . . . 307 ARG CA . 18245 1 1123 . 1 1 307 307 ARG N N 15 116.982 0.300 . 1 . . . . 307 ARG N . 18245 1 1124 . 1 1 308 308 GLN H H 1 7.039 0.020 . 1 . . . . 308 GLN H . 18245 1 1125 . 1 1 308 308 GLN C C 13 175.705 0.300 . 1 . . . . 308 GLN C . 18245 1 1126 . 1 1 308 308 GLN CA C 13 53.537 0.300 . 1 . . . . 308 GLN CA . 18245 1 1127 . 1 1 308 308 GLN N N 15 110.594 0.300 . 1 . . . . 308 GLN N . 18245 1 1128 . 1 1 309 309 TYR H H 1 7.190 0.020 . 1 . . . . 309 TYR H . 18245 1 1129 . 1 1 309 309 TYR C C 13 173.172 0.300 . 1 . . . . 309 TYR C . 18245 1 1130 . 1 1 309 309 TYR CA C 13 57.829 0.300 . 1 . . . . 309 TYR CA . 18245 1 1131 . 1 1 309 309 TYR N N 15 120.814 0.300 . 1 . . . . 309 TYR N . 18245 1 1132 . 1 1 310 310 TYR H H 1 8.218 0.020 . 1 . . . . 310 TYR H . 18245 1 1133 . 1 1 310 310 TYR C C 13 174.597 0.300 . 1 . . . . 310 TYR C . 18245 1 1134 . 1 1 310 310 TYR CA C 13 58.588 0.300 . 1 . . . . 310 TYR CA . 18245 1 1135 . 1 1 310 310 TYR N N 15 127.573 0.300 . 1 . . . . 310 TYR N . 18245 1 1136 . 1 1 311 311 THR H H 1 6.847 0.020 . 1 . . . . 311 THR H . 18245 1 1137 . 1 1 311 311 THR C C 13 172.393 0.300 . 1 . . . . 311 THR C . 18245 1 1138 . 1 1 311 311 THR CA C 13 60.796 0.300 . 1 . . . . 311 THR CA . 18245 1 1139 . 1 1 311 311 THR N N 15 120.515 0.300 . 1 . . . . 311 THR N . 18245 1 1140 . 1 1 312 312 VAL H H 1 8.775 0.020 . 1 . . . . 312 VAL H . 18245 1 1141 . 1 1 312 312 VAL C C 13 172.694 0.300 . 1 . . . . 312 VAL C . 18245 1 1142 . 1 1 312 312 VAL CA C 13 60.061 0.300 . 1 . . . . 312 VAL CA . 18245 1 1143 . 1 1 312 312 VAL N N 15 125.338 0.300 . 1 . . . . 312 VAL N . 18245 1 1144 . 1 1 313 313 PHE H H 1 8.573 0.020 . 1 . . . . 313 PHE H . 18245 1 1145 . 1 1 313 313 PHE C C 13 172.722 0.300 . 1 . . . . 313 PHE C . 18245 1 1146 . 1 1 313 313 PHE CA C 13 56.003 0.300 . 1 . . . . 313 PHE CA . 18245 1 1147 . 1 1 313 313 PHE N N 15 127.992 0.300 . 1 . . . . 313 PHE N . 18245 1 1148 . 1 1 314 314 ASP H H 1 8.331 0.020 . 1 . . . . 314 ASP H . 18245 1 1149 . 1 1 314 314 ASP C C 13 177.802 0.300 . 1 . . . . 314 ASP C . 18245 1 1150 . 1 1 314 314 ASP CA C 13 52.212 0.300 . 1 . . . . 314 ASP CA . 18245 1 1151 . 1 1 314 314 ASP N N 15 121.427 0.300 . 1 . . . . 314 ASP N . 18245 1 1152 . 1 1 315 315 ARG H H 1 8.003 0.020 . 1 . . . . 315 ARG H . 18245 1 1153 . 1 1 315 315 ARG C C 13 177.516 0.300 . 1 . . . . 315 ARG C . 18245 1 1154 . 1 1 315 315 ARG CA C 13 54.052 0.300 . 1 . . . . 315 ARG CA . 18245 1 1155 . 1 1 315 315 ARG N N 15 124.371 0.300 . 1 . . . . 315 ARG N . 18245 1 1156 . 1 1 316 316 ALA H H 1 8.072 0.020 . 1 . . . . 316 ALA H . 18245 1 1157 . 1 1 316 316 ALA C C 13 179.476 0.300 . 1 . . . . 316 ALA C . 18245 1 1158 . 1 1 316 316 ALA CA C 13 54.666 0.300 . 1 . . . . 316 ALA CA . 18245 1 1159 . 1 1 316 316 ALA N N 15 125.367 0.300 . 1 . . . . 316 ALA N . 18245 1 1160 . 1 1 317 317 ASN H H 1 7.401 0.020 . 1 . . . . 317 ASN H . 18245 1 1161 . 1 1 317 317 ASN C C 13 173.924 0.300 . 1 . . . . 317 ASN C . 18245 1 1162 . 1 1 317 317 ASN CA C 13 51.510 0.300 . 1 . . . . 317 ASN CA . 18245 1 1163 . 1 1 317 317 ASN N N 15 111.071 0.300 . 1 . . . . 317 ASN N . 18245 1 1164 . 1 1 318 318 ASN H H 1 7.489 0.020 . 1 . . . . 318 ASN H . 18245 1 1165 . 1 1 318 318 ASN C C 13 173.470 0.300 . 1 . . . . 318 ASN C . 18245 1 1166 . 1 1 318 318 ASN CA C 13 54.853 0.300 . 1 . . . . 318 ASN CA . 18245 1 1167 . 1 1 318 318 ASN N N 15 118.642 0.300 . 1 . . . . 318 ASN N . 18245 1 1168 . 1 1 319 319 LYS H H 1 8.392 0.020 . 1 . . . . 319 LYS H . 18245 1 1169 . 1 1 319 319 LYS C C 13 173.395 0.300 . 1 . . . . 319 LYS C . 18245 1 1170 . 1 1 319 319 LYS CA C 13 54.723 0.300 . 1 . . . . 319 LYS CA . 18245 1 1171 . 1 1 319 319 LYS N N 15 116.781 0.300 . 1 . . . . 319 LYS N . 18245 1 1172 . 1 1 320 320 VAL H H 1 9.180 0.020 . 1 . . . . 320 VAL H . 18245 1 1173 . 1 1 320 320 VAL C C 13 174.725 0.300 . 1 . . . . 320 VAL C . 18245 1 1174 . 1 1 320 320 VAL CA C 13 59.718 0.300 . 1 . . . . 320 VAL CA . 18245 1 1175 . 1 1 320 320 VAL N N 15 121.029 0.300 . 1 . . . . 320 VAL N . 18245 1 1176 . 1 1 321 321 GLY H H 1 9.712 0.020 . 1 . . . . 321 GLY H . 18245 1 1177 . 1 1 321 321 GLY C C 13 171.549 0.300 . 1 . . . . 321 GLY C . 18245 1 1178 . 1 1 321 321 GLY CA C 13 43.161 0.300 . 1 . . . . 321 GLY CA . 18245 1 1179 . 1 1 321 321 GLY N N 15 117.883 0.300 . 1 . . . . 321 GLY N . 18245 1 1180 . 1 1 322 322 LEU H H 1 8.009 0.020 . 1 . . . . 322 LEU H . 18245 1 1181 . 1 1 322 322 LEU C C 13 177.973 0.300 . 1 . . . . 322 LEU C . 18245 1 1182 . 1 1 322 322 LEU CA C 13 53.308 0.300 . 1 . . . . 322 LEU CA . 18245 1 1183 . 1 1 322 322 LEU N N 15 121.618 0.300 . 1 . . . . 322 LEU N . 18245 1 1184 . 1 1 323 323 ALA H H 1 8.186 0.020 . 1 . . . . 323 ALA H . 18245 1 1185 . 1 1 323 323 ALA CA C 13 50.847 0.300 . 1 . . . . 323 ALA CA . 18245 1 1186 . 1 1 323 323 ALA N N 15 123.254 0.300 . 1 . . . . 323 ALA N . 18245 1 1187 . 1 1 324 324 PRO C C 13 176.271 0.300 . 1 . . . . 324 PRO C . 18245 1 1188 . 1 1 324 324 PRO CA C 13 62.465 0.300 . 1 . . . . 324 PRO CA . 18245 1 1189 . 1 1 325 325 VAL H H 1 6.995 0.020 . 1 . . . . 325 VAL H . 18245 1 1190 . 1 1 325 325 VAL C C 13 175.756 0.300 . 1 . . . . 325 VAL C . 18245 1 1191 . 1 1 325 325 VAL CA C 13 61.835 0.300 . 1 . . . . 325 VAL CA . 18245 1 1192 . 1 1 325 325 VAL N N 15 116.064 0.300 . 1 . . . . 325 VAL N . 18245 1 1193 . 1 1 326 326 ALA H H 1 7.289 0.020 . 1 . . . . 326 ALA H . 18245 1 1194 . 1 1 326 326 ALA CA C 13 52.507 0.300 . 1 . . . . 326 ALA CA . 18245 1 1195 . 1 1 326 326 ALA N N 15 129.901 0.300 . 1 . . . . 326 ALA N . 18245 1 stop_ save_