data_16919 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16919 _Entry.Title ; Backbone 1H,13C, and 15N assignments of Streptococcus pneumoniae mevalonate diphosphate decarboxylase (spMDD) in apo-state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-10 _Entry.Accession_date 2010-05-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Guido Reuther . . . 16919 2 Richard Harris . . . 16919 3 Mark Girvin . E. . 16919 4 Thomas Leyh . S. . 16919 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leyh group, Einstein' . 16919 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16919 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 832 16919 '15N chemical shifts' 268 16919 '1H chemical shifts' 268 16919 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-05-10 update BMRB 'update entry citation' 16919 1 . . 2010-09-08 2010-05-10 original author 'original release' 16919 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16916 'spMDD in complex with ligands' 16919 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16919 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20737255 _Citation.Full_citation . _Citation.Title 'Backbone (1)H, (13)C, (15)N NMR assignments of the unliganded and substrate ternary complex forms of mevalonate diphosphate decarboxylase from Streptococcus pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 11 _Citation.Page_last 14 _Citation.Year 2011 _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 Guido Reuther . . . 16919 1 2 Richard Harris . . . 16919 1 3 Mark Girvin . . . 16919 1 4 Thomas Leyh . S. . 16919 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mevalonate diphosphate decarboxylase' 16919 1 NMR 16919 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16919 _Assembly.ID 1 _Assembly.Name spMDD _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 34990 _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 spMDD 1 $mevalonate_diphosphate_decarboxylase A . yes native no no . . . 16919 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mevalonate_diphosphate_decarboxylase _Entity.Sf_category entity _Entity.Sf_framecode mevalonate_diphosphate_decarboxylase _Entity.Entry_ID 16919 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mevalonate_diphosphate_decarboxylase _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 ; MDREPVTVRSYANIAIIKYW GKKKEKEMVPATSSISLTLE NMYTETTLSPLPANVTADEF YINGQLQNEVEHAKMSKIID RYRPAGEGFVRIDTQNNMPT AAGLSSSSSGLSALVKACNA YFKLGLDRSQLAQEAKFASG SSSRSFYGPLGAWDKDSGEI YPVETDLKLAMINLVLEDKK KPISSRDGMKLCVETSTTFD DWVRQSEKDYQDMLIYLKEN DFAKIGELTEKNALAMHATT KTASPAFSYLTDASYEAMDF VRQLREKGEACYFTMDAGPN VKVFCQEKDLEHLSEIFGQR YRLIVSKTKDLSQDDCC ; _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 317 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16916 . mevalonate_diphosphate_decarboxylase . . . . . 100.00 317 100.00 100.00 0.00e+00 . . . . 16919 1 2 no EMBL CAR68209 . "mevalonate diphosphate decarboxylase [Streptococcus pneumoniae ATCC 700669]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 3 no EMBL CBW32038 . "mevalonate diphosphate decarboxylase [Streptococcus pneumoniae OXC141]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 4 no EMBL CBW33977 . "mevalonate diphosphate decarboxylase [Streptococcus pneumoniae INV200]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 5 no EMBL CBW36013 . "mevalonate diphosphate decarboxylase [Streptococcus pneumoniae INV104]" . . . . . 100.00 317 99.05 99.05 0.00e+00 . . . . 16919 1 6 no EMBL CCM08953 . "Diphosphomevalonate decarboxylase (EC 4.1.1.33) [Streptococcus pneumoniae SPNA45]" . . . . . 100.00 317 98.42 98.74 0.00e+00 . . . . 16919 1 7 no GB AAG02456 . "mevalonate diphosphate decarboxylase [Streptococcus pneumoniae]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 8 no GB AAK74549 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae TIGR4]" . . . . . 100.00 317 99.05 99.05 0.00e+00 . . . . 16919 1 9 no GB AAK99143 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae R6]" . . . . . 100.00 344 99.68 99.68 0.00e+00 . . . . 16919 1 10 no GB ABJ54071 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae D39]" . . . . . 100.00 317 99.68 99.68 0.00e+00 . . . . 16919 1 11 no GB ACA35923 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae Hungary19A-6]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 12 no REF NP_357933 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae R6]" . . . . . 100.00 344 99.68 99.68 0.00e+00 . . . . 16919 1 13 no REF WP_000373447 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae]" . . . . . 100.00 317 99.37 99.68 0.00e+00 . . . . 16919 1 14 no REF WP_000373452 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae]" . . . . . 100.00 317 99.05 99.05 0.00e+00 . . . . 16919 1 15 no REF WP_000373453 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae]" . . . . . 100.00 317 99.37 99.37 0.00e+00 . . . . 16919 1 16 no REF WP_000373454 . "diphosphomevalonate decarboxylase [Streptococcus pneumoniae]" . . . . . 100.00 317 99.05 99.37 0.00e+00 . . . . 16919 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16919 1 2 . ASP . 16919 1 3 . ARG . 16919 1 4 . GLU . 16919 1 5 . PRO . 16919 1 6 . VAL . 16919 1 7 . THR . 16919 1 8 . VAL . 16919 1 9 . ARG . 16919 1 10 . SER . 16919 1 11 . TYR . 16919 1 12 . ALA . 16919 1 13 . ASN . 16919 1 14 . ILE . 16919 1 15 . ALA . 16919 1 16 . ILE . 16919 1 17 . ILE . 16919 1 18 . LYS . 16919 1 19 . TYR . 16919 1 20 . TRP . 16919 1 21 . GLY . 16919 1 22 . LYS . 16919 1 23 . LYS . 16919 1 24 . LYS . 16919 1 25 . GLU . 16919 1 26 . LYS . 16919 1 27 . GLU . 16919 1 28 . MET . 16919 1 29 . VAL . 16919 1 30 . PRO . 16919 1 31 . ALA . 16919 1 32 . THR . 16919 1 33 . SER . 16919 1 34 . SER . 16919 1 35 . ILE . 16919 1 36 . SER . 16919 1 37 . LEU . 16919 1 38 . THR . 16919 1 39 . LEU . 16919 1 40 . GLU . 16919 1 41 . ASN . 16919 1 42 . MET . 16919 1 43 . TYR . 16919 1 44 . THR . 16919 1 45 . GLU . 16919 1 46 . THR . 16919 1 47 . THR . 16919 1 48 . LEU . 16919 1 49 . SER . 16919 1 50 . PRO . 16919 1 51 . LEU . 16919 1 52 . PRO . 16919 1 53 . ALA . 16919 1 54 . ASN . 16919 1 55 . VAL . 16919 1 56 . THR . 16919 1 57 . ALA . 16919 1 58 . ASP . 16919 1 59 . GLU . 16919 1 60 . PHE . 16919 1 61 . TYR . 16919 1 62 . ILE . 16919 1 63 . ASN . 16919 1 64 . GLY . 16919 1 65 . GLN . 16919 1 66 . LEU . 16919 1 67 . GLN . 16919 1 68 . ASN . 16919 1 69 . GLU . 16919 1 70 . VAL . 16919 1 71 . GLU . 16919 1 72 . HIS . 16919 1 73 . ALA . 16919 1 74 . LYS . 16919 1 75 . MET . 16919 1 76 . SER . 16919 1 77 . LYS . 16919 1 78 . ILE . 16919 1 79 . ILE . 16919 1 80 . ASP . 16919 1 81 . ARG . 16919 1 82 . TYR . 16919 1 83 . ARG . 16919 1 84 . PRO . 16919 1 85 . ALA . 16919 1 86 . GLY . 16919 1 87 . GLU . 16919 1 88 . GLY . 16919 1 89 . PHE . 16919 1 90 . VAL . 16919 1 91 . ARG . 16919 1 92 . ILE . 16919 1 93 . ASP . 16919 1 94 . THR . 16919 1 95 . GLN . 16919 1 96 . ASN . 16919 1 97 . ASN . 16919 1 98 . MET . 16919 1 99 . PRO . 16919 1 100 . THR . 16919 1 101 . ALA . 16919 1 102 . ALA . 16919 1 103 . GLY . 16919 1 104 . LEU . 16919 1 105 . SER . 16919 1 106 . SER . 16919 1 107 . SER . 16919 1 108 . SER . 16919 1 109 . SER . 16919 1 110 . GLY . 16919 1 111 . LEU . 16919 1 112 . SER . 16919 1 113 . ALA . 16919 1 114 . LEU . 16919 1 115 . VAL . 16919 1 116 . LYS . 16919 1 117 . ALA . 16919 1 118 . CYS . 16919 1 119 . ASN . 16919 1 120 . ALA . 16919 1 121 . TYR . 16919 1 122 . PHE . 16919 1 123 . LYS . 16919 1 124 . LEU . 16919 1 125 . GLY . 16919 1 126 . LEU . 16919 1 127 . ASP . 16919 1 128 . ARG . 16919 1 129 . SER . 16919 1 130 . GLN . 16919 1 131 . LEU . 16919 1 132 . ALA . 16919 1 133 . GLN . 16919 1 134 . GLU . 16919 1 135 . ALA . 16919 1 136 . LYS . 16919 1 137 . PHE . 16919 1 138 . ALA . 16919 1 139 . SER . 16919 1 140 . GLY . 16919 1 141 . SER . 16919 1 142 . SER . 16919 1 143 . SER . 16919 1 144 . ARG . 16919 1 145 . SER . 16919 1 146 . PHE . 16919 1 147 . TYR . 16919 1 148 . GLY . 16919 1 149 . PRO . 16919 1 150 . LEU . 16919 1 151 . GLY . 16919 1 152 . ALA . 16919 1 153 . TRP . 16919 1 154 . ASP . 16919 1 155 . LYS . 16919 1 156 . ASP . 16919 1 157 . SER . 16919 1 158 . GLY . 16919 1 159 . GLU . 16919 1 160 . ILE . 16919 1 161 . TYR . 16919 1 162 . PRO . 16919 1 163 . VAL . 16919 1 164 . GLU . 16919 1 165 . THR . 16919 1 166 . ASP . 16919 1 167 . LEU . 16919 1 168 . LYS . 16919 1 169 . LEU . 16919 1 170 . ALA . 16919 1 171 . MET . 16919 1 172 . ILE . 16919 1 173 . ASN . 16919 1 174 . LEU . 16919 1 175 . VAL . 16919 1 176 . LEU . 16919 1 177 . GLU . 16919 1 178 . ASP . 16919 1 179 . LYS . 16919 1 180 . LYS . 16919 1 181 . LYS . 16919 1 182 . PRO . 16919 1 183 . ILE . 16919 1 184 . SER . 16919 1 185 . SER . 16919 1 186 . ARG . 16919 1 187 . ASP . 16919 1 188 . GLY . 16919 1 189 . MET . 16919 1 190 . LYS . 16919 1 191 . LEU . 16919 1 192 . CYS . 16919 1 193 . VAL . 16919 1 194 . GLU . 16919 1 195 . THR . 16919 1 196 . SER . 16919 1 197 . THR . 16919 1 198 . THR . 16919 1 199 . PHE . 16919 1 200 . ASP . 16919 1 201 . ASP . 16919 1 202 . TRP . 16919 1 203 . VAL . 16919 1 204 . ARG . 16919 1 205 . GLN . 16919 1 206 . SER . 16919 1 207 . GLU . 16919 1 208 . LYS . 16919 1 209 . ASP . 16919 1 210 . TYR . 16919 1 211 . GLN . 16919 1 212 . ASP . 16919 1 213 . MET . 16919 1 214 . LEU . 16919 1 215 . ILE . 16919 1 216 . TYR . 16919 1 217 . LEU . 16919 1 218 . LYS . 16919 1 219 . GLU . 16919 1 220 . ASN . 16919 1 221 . ASP . 16919 1 222 . PHE . 16919 1 223 . ALA . 16919 1 224 . LYS . 16919 1 225 . ILE . 16919 1 226 . GLY . 16919 1 227 . GLU . 16919 1 228 . LEU . 16919 1 229 . THR . 16919 1 230 . GLU . 16919 1 231 . LYS . 16919 1 232 . ASN . 16919 1 233 . ALA . 16919 1 234 . LEU . 16919 1 235 . ALA . 16919 1 236 . MET . 16919 1 237 . HIS . 16919 1 238 . ALA . 16919 1 239 . THR . 16919 1 240 . THR . 16919 1 241 . LYS . 16919 1 242 . THR . 16919 1 243 . ALA . 16919 1 244 . SER . 16919 1 245 . PRO . 16919 1 246 . ALA . 16919 1 247 . PHE . 16919 1 248 . SER . 16919 1 249 . TYR . 16919 1 250 . LEU . 16919 1 251 . THR . 16919 1 252 . ASP . 16919 1 253 . ALA . 16919 1 254 . SER . 16919 1 255 . TYR . 16919 1 256 . GLU . 16919 1 257 . ALA . 16919 1 258 . MET . 16919 1 259 . ASP . 16919 1 260 . PHE . 16919 1 261 . VAL . 16919 1 262 . ARG . 16919 1 263 . GLN . 16919 1 264 . LEU . 16919 1 265 . ARG . 16919 1 266 . GLU . 16919 1 267 . LYS . 16919 1 268 . GLY . 16919 1 269 . GLU . 16919 1 270 . ALA . 16919 1 271 . CYS . 16919 1 272 . TYR . 16919 1 273 . PHE . 16919 1 274 . THR . 16919 1 275 . MET . 16919 1 276 . ASP . 16919 1 277 . ALA . 16919 1 278 . GLY . 16919 1 279 . PRO . 16919 1 280 . ASN . 16919 1 281 . VAL . 16919 1 282 . LYS . 16919 1 283 . VAL . 16919 1 284 . PHE . 16919 1 285 . CYS . 16919 1 286 . GLN . 16919 1 287 . GLU . 16919 1 288 . LYS . 16919 1 289 . ASP . 16919 1 290 . LEU . 16919 1 291 . GLU . 16919 1 292 . HIS . 16919 1 293 . LEU . 16919 1 294 . SER . 16919 1 295 . GLU . 16919 1 296 . ILE . 16919 1 297 . PHE . 16919 1 298 . GLY . 16919 1 299 . GLN . 16919 1 300 . ARG . 16919 1 301 . TYR . 16919 1 302 . ARG . 16919 1 303 . LEU . 16919 1 304 . ILE . 16919 1 305 . VAL . 16919 1 306 . SER . 16919 1 307 . LYS . 16919 1 308 . THR . 16919 1 309 . LYS . 16919 1 310 . ASP . 16919 1 311 . LEU . 16919 1 312 . SER . 16919 1 313 . GLN . 16919 1 314 . ASP . 16919 1 315 . ASP . 16919 1 316 . CYS . 16919 1 317 . CYS . 16919 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16919 1 . ASP 2 2 16919 1 . ARG 3 3 16919 1 . GLU 4 4 16919 1 . PRO 5 5 16919 1 . VAL 6 6 16919 1 . THR 7 7 16919 1 . VAL 8 8 16919 1 . ARG 9 9 16919 1 . SER 10 10 16919 1 . TYR 11 11 16919 1 . ALA 12 12 16919 1 . ASN 13 13 16919 1 . ILE 14 14 16919 1 . ALA 15 15 16919 1 . ILE 16 16 16919 1 . ILE 17 17 16919 1 . LYS 18 18 16919 1 . TYR 19 19 16919 1 . TRP 20 20 16919 1 . GLY 21 21 16919 1 . LYS 22 22 16919 1 . LYS 23 23 16919 1 . LYS 24 24 16919 1 . GLU 25 25 16919 1 . LYS 26 26 16919 1 . GLU 27 27 16919 1 . MET 28 28 16919 1 . VAL 29 29 16919 1 . PRO 30 30 16919 1 . ALA 31 31 16919 1 . THR 32 32 16919 1 . SER 33 33 16919 1 . SER 34 34 16919 1 . ILE 35 35 16919 1 . SER 36 36 16919 1 . LEU 37 37 16919 1 . THR 38 38 16919 1 . LEU 39 39 16919 1 . GLU 40 40 16919 1 . ASN 41 41 16919 1 . MET 42 42 16919 1 . TYR 43 43 16919 1 . THR 44 44 16919 1 . GLU 45 45 16919 1 . THR 46 46 16919 1 . THR 47 47 16919 1 . LEU 48 48 16919 1 . SER 49 49 16919 1 . PRO 50 50 16919 1 . LEU 51 51 16919 1 . PRO 52 52 16919 1 . ALA 53 53 16919 1 . ASN 54 54 16919 1 . VAL 55 55 16919 1 . THR 56 56 16919 1 . ALA 57 57 16919 1 . ASP 58 58 16919 1 . GLU 59 59 16919 1 . PHE 60 60 16919 1 . TYR 61 61 16919 1 . ILE 62 62 16919 1 . ASN 63 63 16919 1 . GLY 64 64 16919 1 . GLN 65 65 16919 1 . LEU 66 66 16919 1 . GLN 67 67 16919 1 . ASN 68 68 16919 1 . GLU 69 69 16919 1 . VAL 70 70 16919 1 . GLU 71 71 16919 1 . HIS 72 72 16919 1 . ALA 73 73 16919 1 . LYS 74 74 16919 1 . MET 75 75 16919 1 . SER 76 76 16919 1 . LYS 77 77 16919 1 . ILE 78 78 16919 1 . ILE 79 79 16919 1 . ASP 80 80 16919 1 . ARG 81 81 16919 1 . TYR 82 82 16919 1 . ARG 83 83 16919 1 . PRO 84 84 16919 1 . ALA 85 85 16919 1 . GLY 86 86 16919 1 . GLU 87 87 16919 1 . GLY 88 88 16919 1 . PHE 89 89 16919 1 . VAL 90 90 16919 1 . ARG 91 91 16919 1 . ILE 92 92 16919 1 . ASP 93 93 16919 1 . THR 94 94 16919 1 . GLN 95 95 16919 1 . ASN 96 96 16919 1 . ASN 97 97 16919 1 . MET 98 98 16919 1 . PRO 99 99 16919 1 . THR 100 100 16919 1 . ALA 101 101 16919 1 . ALA 102 102 16919 1 . GLY 103 103 16919 1 . LEU 104 104 16919 1 . SER 105 105 16919 1 . SER 106 106 16919 1 . SER 107 107 16919 1 . SER 108 108 16919 1 . SER 109 109 16919 1 . GLY 110 110 16919 1 . LEU 111 111 16919 1 . SER 112 112 16919 1 . ALA 113 113 16919 1 . LEU 114 114 16919 1 . VAL 115 115 16919 1 . LYS 116 116 16919 1 . ALA 117 117 16919 1 . CYS 118 118 16919 1 . ASN 119 119 16919 1 . ALA 120 120 16919 1 . TYR 121 121 16919 1 . PHE 122 122 16919 1 . LYS 123 123 16919 1 . LEU 124 124 16919 1 . GLY 125 125 16919 1 . LEU 126 126 16919 1 . ASP 127 127 16919 1 . ARG 128 128 16919 1 . SER 129 129 16919 1 . GLN 130 130 16919 1 . LEU 131 131 16919 1 . ALA 132 132 16919 1 . GLN 133 133 16919 1 . GLU 134 134 16919 1 . ALA 135 135 16919 1 . LYS 136 136 16919 1 . PHE 137 137 16919 1 . ALA 138 138 16919 1 . SER 139 139 16919 1 . GLY 140 140 16919 1 . SER 141 141 16919 1 . SER 142 142 16919 1 . SER 143 143 16919 1 . ARG 144 144 16919 1 . SER 145 145 16919 1 . PHE 146 146 16919 1 . TYR 147 147 16919 1 . GLY 148 148 16919 1 . PRO 149 149 16919 1 . LEU 150 150 16919 1 . GLY 151 151 16919 1 . ALA 152 152 16919 1 . TRP 153 153 16919 1 . ASP 154 154 16919 1 . LYS 155 155 16919 1 . ASP 156 156 16919 1 . SER 157 157 16919 1 . GLY 158 158 16919 1 . GLU 159 159 16919 1 . ILE 160 160 16919 1 . TYR 161 161 16919 1 . PRO 162 162 16919 1 . VAL 163 163 16919 1 . GLU 164 164 16919 1 . THR 165 165 16919 1 . ASP 166 166 16919 1 . LEU 167 167 16919 1 . LYS 168 168 16919 1 . LEU 169 169 16919 1 . ALA 170 170 16919 1 . MET 171 171 16919 1 . ILE 172 172 16919 1 . ASN 173 173 16919 1 . LEU 174 174 16919 1 . VAL 175 175 16919 1 . LEU 176 176 16919 1 . GLU 177 177 16919 1 . ASP 178 178 16919 1 . LYS 179 179 16919 1 . LYS 180 180 16919 1 . LYS 181 181 16919 1 . PRO 182 182 16919 1 . ILE 183 183 16919 1 . SER 184 184 16919 1 . SER 185 185 16919 1 . ARG 186 186 16919 1 . ASP 187 187 16919 1 . GLY 188 188 16919 1 . MET 189 189 16919 1 . LYS 190 190 16919 1 . LEU 191 191 16919 1 . CYS 192 192 16919 1 . VAL 193 193 16919 1 . GLU 194 194 16919 1 . THR 195 195 16919 1 . SER 196 196 16919 1 . THR 197 197 16919 1 . THR 198 198 16919 1 . PHE 199 199 16919 1 . ASP 200 200 16919 1 . ASP 201 201 16919 1 . TRP 202 202 16919 1 . VAL 203 203 16919 1 . ARG 204 204 16919 1 . GLN 205 205 16919 1 . SER 206 206 16919 1 . GLU 207 207 16919 1 . LYS 208 208 16919 1 . ASP 209 209 16919 1 . TYR 210 210 16919 1 . GLN 211 211 16919 1 . ASP 212 212 16919 1 . MET 213 213 16919 1 . LEU 214 214 16919 1 . ILE 215 215 16919 1 . TYR 216 216 16919 1 . LEU 217 217 16919 1 . LYS 218 218 16919 1 . GLU 219 219 16919 1 . ASN 220 220 16919 1 . ASP 221 221 16919 1 . PHE 222 222 16919 1 . ALA 223 223 16919 1 . LYS 224 224 16919 1 . ILE 225 225 16919 1 . GLY 226 226 16919 1 . GLU 227 227 16919 1 . LEU 228 228 16919 1 . THR 229 229 16919 1 . GLU 230 230 16919 1 . LYS 231 231 16919 1 . ASN 232 232 16919 1 . ALA 233 233 16919 1 . LEU 234 234 16919 1 . ALA 235 235 16919 1 . MET 236 236 16919 1 . HIS 237 237 16919 1 . ALA 238 238 16919 1 . THR 239 239 16919 1 . THR 240 240 16919 1 . LYS 241 241 16919 1 . THR 242 242 16919 1 . ALA 243 243 16919 1 . SER 244 244 16919 1 . PRO 245 245 16919 1 . ALA 246 246 16919 1 . PHE 247 247 16919 1 . SER 248 248 16919 1 . TYR 249 249 16919 1 . LEU 250 250 16919 1 . THR 251 251 16919 1 . ASP 252 252 16919 1 . ALA 253 253 16919 1 . SER 254 254 16919 1 . TYR 255 255 16919 1 . GLU 256 256 16919 1 . ALA 257 257 16919 1 . MET 258 258 16919 1 . ASP 259 259 16919 1 . PHE 260 260 16919 1 . VAL 261 261 16919 1 . ARG 262 262 16919 1 . GLN 263 263 16919 1 . LEU 264 264 16919 1 . ARG 265 265 16919 1 . GLU 266 266 16919 1 . LYS 267 267 16919 1 . GLY 268 268 16919 1 . GLU 269 269 16919 1 . ALA 270 270 16919 1 . CYS 271 271 16919 1 . TYR 272 272 16919 1 . PHE 273 273 16919 1 . THR 274 274 16919 1 . MET 275 275 16919 1 . ASP 276 276 16919 1 . ALA 277 277 16919 1 . GLY 278 278 16919 1 . PRO 279 279 16919 1 . ASN 280 280 16919 1 . VAL 281 281 16919 1 . LYS 282 282 16919 1 . VAL 283 283 16919 1 . PHE 284 284 16919 1 . CYS 285 285 16919 1 . GLN 286 286 16919 1 . GLU 287 287 16919 1 . LYS 288 288 16919 1 . ASP 289 289 16919 1 . LEU 290 290 16919 1 . GLU 291 291 16919 1 . HIS 292 292 16919 1 . LEU 293 293 16919 1 . SER 294 294 16919 1 . GLU 295 295 16919 1 . ILE 296 296 16919 1 . PHE 297 297 16919 1 . GLY 298 298 16919 1 . GLN 299 299 16919 1 . ARG 300 300 16919 1 . TYR 301 301 16919 1 . ARG 302 302 16919 1 . LEU 303 303 16919 1 . ILE 304 304 16919 1 . VAL 305 305 16919 1 . SER 306 306 16919 1 . LYS 307 307 16919 1 . THR 308 308 16919 1 . LYS 309 309 16919 1 . ASP 310 310 16919 1 . LEU 311 311 16919 1 . SER 312 312 16919 1 . GLN 313 313 16919 1 . ASP 314 314 16919 1 . ASP 315 315 16919 1 . CYS 316 316 16919 1 . CYS 317 317 16919 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 16919 _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 $mevalonate_diphosphate_decarboxylase . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16919 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 16919 _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 $mevalonate_diphosphate_decarboxylase . 'purified from the natural source' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 16919 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16919 _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 'mevalonate diphosphate decarboxylase' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $mevalonate_diphosphate_decarboxylase . . 1 . . mM 0.05 . . . 16919 1 2 HEPES 'natural abundance' . . . . . . 25 . . mM 0.05 . . . 16919 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 16919 1 4 DTT 'natural abundance' . . . . . . 1.6 . . mM 0.01 . . . 16919 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16919 _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' 50 . mM 16919 1 pH 7.5 . pH 16919 1 temperature 298 . K 16919 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16919 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16919 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16919 1 'data analysis' 16919 1 processing 16919 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16919 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16919 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16919 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16919 1 2 spectrometer_2 Bruker Avance . 800 . . . 16919 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 16919 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16919 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 16919 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16919 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16919 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16919 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_apo_spMDD _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode apo_spMDD _Assigned_chem_shift_list.Entry_ID 16919 _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' . . . 16919 1 2 '3D HNCO' . . . 16919 1 3 '3D HNCA' . . . 16919 1 4 '3D HNCACB' . . . 16919 1 5 '3D HN(CO)CA' . . . 16919 1 6 '3D 1H-15N NOESY' . . . 16919 1 7 '3D HN(COCA)CB' . . . 16919 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 16919 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 MET H H 1 8.398 0.006 . 1 . . . . 1 Met H . 16919 1 2 . 1 1 1 1 MET C C 13 175.874 0.048 . 1 . . . . 1 Met C . 16919 1 3 . 1 1 1 1 MET CA C 13 55.051 0.011 . 1 . . . . 1 Met CA . 16919 1 4 . 1 1 1 1 MET CB C 13 32.219 0.009 . 1 . . . . 1 Met CB . 16919 1 5 . 1 1 1 1 MET N N 15 121.817 0.061 . 1 . . . . 1 Met N . 16919 1 6 . 1 1 2 2 ASP H H 1 8.284 0.005 . 1 . . . . 2 Asp H . 16919 1 7 . 1 1 2 2 ASP C C 13 176.218 0.068 . 1 . . . . 2 Asp C . 16919 1 8 . 1 1 2 2 ASP CA C 13 54.159 0.031 . 1 . . . . 2 Asp CA . 16919 1 9 . 1 1 2 2 ASP CB C 13 40.760 0.032 . 1 . . . . 2 Asp CB . 16919 1 10 . 1 1 2 2 ASP N N 15 122.312 0.025 . 1 . . . . 2 Asp N . 16919 1 11 . 1 1 3 3 ARG H H 1 8.078 0.006 . 1 . . . . 3 Arg H . 16919 1 12 . 1 1 3 3 ARG C C 13 175.509 0.016 . 1 . . . . 3 Arg C . 16919 1 13 . 1 1 3 3 ARG CA C 13 55.088 0.030 . 1 . . . . 3 Arg CA . 16919 1 14 . 1 1 3 3 ARG CB C 13 30.090 0.000 . 1 . . . . 3 Arg CB . 16919 1 15 . 1 1 3 3 ARG N N 15 121.723 0.057 . 1 . . . . 3 Arg N . 16919 1 16 . 1 1 4 4 GLU H H 1 7.827 0.007 . 1 . . . . 4 Glu H . 16919 1 17 . 1 1 4 4 GLU C C 13 173.753 0.026 . 1 . . . . 4 Glu C . 16919 1 18 . 1 1 4 4 GLU CA C 13 53.505 0.013 . 1 . . . . 4 Glu CA . 16919 1 19 . 1 1 4 4 GLU CB C 13 29.832 0.000 . 1 . . . . 4 Glu CB . 16919 1 20 . 1 1 4 4 GLU N N 15 121.991 0.072 . 1 . . . . 4 Glu N . 16919 1 21 . 1 1 5 5 PRO C C 13 177.326 0.009 . 1 . . . . 5 Pro C . 16919 1 22 . 1 1 5 5 PRO CA C 13 62.738 0.038 . 1 . . . . 5 Pro CA . 16919 1 23 . 1 1 5 5 PRO CB C 13 31.822 0.000 . 1 . . . . 5 Pro CB . 16919 1 24 . 1 1 6 6 VAL H H 1 8.277 0.008 . 1 . . . . 6 Val H . 16919 1 25 . 1 1 6 6 VAL C C 13 173.723 0.021 . 1 . . . . 6 Val C . 16919 1 26 . 1 1 6 6 VAL CA C 13 59.454 0.030 . 1 . . . . 6 Val CA . 16919 1 27 . 1 1 6 6 VAL CB C 13 34.799 0.013 . 1 . . . . 6 Val CB . 16919 1 28 . 1 1 6 6 VAL N N 15 116.915 0.049 . 1 . . . . 6 Val N . 16919 1 29 . 1 1 7 7 THR H H 1 8.425 0.007 . 1 . . . . 7 Thr H . 16919 1 30 . 1 1 7 7 THR C C 13 174.345 0.014 . 1 . . . . 7 Thr C . 16919 1 31 . 1 1 7 7 THR CA C 13 61.705 0.045 . 1 . . . . 7 Thr CA . 16919 1 32 . 1 1 7 7 THR CB C 13 71.067 0.047 . 1 . . . . 7 Thr CB . 16919 1 33 . 1 1 7 7 THR N N 15 121.108 0.019 . 1 . . . . 7 Thr N . 16919 1 34 . 1 1 8 8 VAL H H 1 8.855 0.007 . 1 . . . . 8 Val H . 16919 1 35 . 1 1 8 8 VAL C C 13 173.521 0.040 . 1 . . . . 8 Val C . 16919 1 36 . 1 1 8 8 VAL CA C 13 57.998 0.048 . 1 . . . . 8 Val CA . 16919 1 37 . 1 1 8 8 VAL CB C 13 34.586 0.000 . 1 . . . . 8 Val CB . 16919 1 38 . 1 1 8 8 VAL N N 15 119.071 0.026 . 1 . . . . 8 Val N . 16919 1 39 . 1 1 9 9 ARG H H 1 8.565 0.007 . 1 . . . . 9 Arg H . 16919 1 40 . 1 1 9 9 ARG C C 13 175.461 0.013 . 1 . . . . 9 Arg C . 16919 1 41 . 1 1 9 9 ARG CA C 13 54.031 0.041 . 1 . . . . 9 Arg CA . 16919 1 42 . 1 1 9 9 ARG CB C 13 33.849 0.070 . 1 . . . . 9 Arg CB . 16919 1 43 . 1 1 9 9 ARG N N 15 119.313 0.062 . 1 . . . . 9 Arg N . 16919 1 44 . 1 1 10 10 SER H H 1 8.493 0.007 . 1 . . . . 10 Ser H . 16919 1 45 . 1 1 10 10 SER C C 13 173.530 0.000 . 1 . . . . 10 Ser C . 16919 1 46 . 1 1 10 10 SER CA C 13 55.949 0.021 . 1 . . . . 10 Ser CA . 16919 1 47 . 1 1 10 10 SER CB C 13 64.423 0.018 . 1 . . . . 10 Ser CB . 16919 1 48 . 1 1 10 10 SER N N 15 115.577 0.027 . 1 . . . . 10 Ser N . 16919 1 49 . 1 1 11 11 TYR H H 1 8.121 0.007 . 1 . . . . 11 Tyr H . 16919 1 50 . 1 1 11 11 TYR C C 13 179.593 0.000 . 1 . . . . 11 Tyr C . 16919 1 51 . 1 1 11 11 TYR CA C 13 58.802 0.000 . 1 . . . . 11 Tyr CA . 16919 1 52 . 1 1 11 11 TYR CB C 13 39.666 0.020 . 1 . . . . 11 Tyr CB . 16919 1 53 . 1 1 11 11 TYR N N 15 126.705 0.116 . 1 . . . . 11 Tyr N . 16919 1 54 . 1 1 12 12 ALA H H 1 8.866 0.006 . 1 . . . . 12 Ala H . 16919 1 55 . 1 1 12 12 ALA C C 13 175.302 0.059 . 1 . . . . 12 Ala C . 16919 1 56 . 1 1 12 12 ALA CA C 13 51.362 0.035 . 1 . . . . 12 Ala CA . 16919 1 57 . 1 1 12 12 ALA CB C 13 20.556 0.000 . 1 . . . . 12 Ala CB . 16919 1 58 . 1 1 12 12 ALA N N 15 126.588 0.048 . 1 . . . . 12 Ala N . 16919 1 59 . 1 1 13 13 ASN H H 1 8.238 0.007 . 1 . . . . 13 Asn H . 16919 1 60 . 1 1 13 13 ASN C C 13 173.600 0.023 . 1 . . . . 13 Asn C . 16919 1 61 . 1 1 13 13 ASN CA C 13 52.537 0.044 . 1 . . . . 13 Asn CA . 16919 1 62 . 1 1 13 13 ASN CB C 13 43.001 0.000 . 1 . . . . 13 Asn CB . 16919 1 63 . 1 1 13 13 ASN N N 15 114.979 0.043 . 1 . . . . 13 Asn N . 16919 1 64 . 1 1 14 14 ILE H H 1 8.526 0.009 . 1 . . . . 14 Ile H . 16919 1 65 . 1 1 14 14 ILE C C 13 175.112 0.008 . 1 . . . . 14 Ile C . 16919 1 66 . 1 1 14 14 ILE CA C 13 58.440 0.031 . 1 . . . . 14 Ile CA . 16919 1 67 . 1 1 14 14 ILE CB C 13 40.605 0.000 . 1 . . . . 14 Ile CB . 16919 1 68 . 1 1 14 14 ILE N N 15 118.393 0.058 . 1 . . . . 14 Ile N . 16919 1 69 . 1 1 15 15 ALA H H 1 9.588 0.006 . 1 . . . . 15 Ala H . 16919 1 70 . 1 1 15 15 ALA C C 13 177.368 0.036 . 1 . . . . 15 Ala C . 16919 1 71 . 1 1 15 15 ALA CA C 13 51.838 0.016 . 1 . . . . 15 Ala CA . 16919 1 72 . 1 1 15 15 ALA CB C 13 18.455 0.060 . 1 . . . . 15 Ala CB . 16919 1 73 . 1 1 15 15 ALA N N 15 130.492 0.050 . 1 . . . . 15 Ala N . 16919 1 74 . 1 1 16 16 ILE H H 1 8.998 0.008 . 1 . . . . 16 Ile H . 16919 1 75 . 1 1 16 16 ILE C C 13 176.461 0.061 . 1 . . . . 16 Ile C . 16919 1 76 . 1 1 16 16 ILE CA C 13 62.212 0.051 . 1 . . . . 16 Ile CA . 16919 1 77 . 1 1 16 16 ILE CB C 13 36.835 0.000 . 1 . . . . 16 Ile CB . 16919 1 78 . 1 1 16 16 ILE N N 15 118.079 0.105 . 1 . . . . 16 Ile N . 16919 1 79 . 1 1 17 17 ILE H H 1 7.240 0.011 . 1 . . . . 17 Ile H . 16919 1 80 . 1 1 17 17 ILE C C 13 177.613 0.006 . 1 . . . . 17 Ile C . 16919 1 81 . 1 1 17 17 ILE CA C 13 57.818 0.060 . 1 . . . . 17 Ile CA . 16919 1 82 . 1 1 17 17 ILE CB C 13 36.742 0.000 . 1 . . . . 17 Ile CB . 16919 1 83 . 1 1 17 17 ILE N N 15 122.710 0.110 . 1 . . . . 17 Ile N . 16919 1 84 . 1 1 18 18 LYS H H 1 9.405 0.005 . 1 . . . . 18 Lys H . 16919 1 85 . 1 1 18 18 LYS C C 13 178.089 0.003 . 1 . . . . 18 Lys C . 16919 1 86 . 1 1 18 18 LYS CA C 13 55.960 0.004 . 1 . . . . 18 Lys CA . 16919 1 87 . 1 1 18 18 LYS CB C 13 31.871 0.000 . 1 . . . . 18 Lys CB . 16919 1 88 . 1 1 18 18 LYS N N 15 122.262 0.066 . 1 . . . . 18 Lys N . 16919 1 89 . 1 1 19 19 TYR C C 13 173.999 0.000 . 1 . . . . 19 Tyr C . 16919 1 90 . 1 1 19 19 TYR CA C 13 54.034 0.000 . 1 . . . . 19 Tyr CA . 16919 1 91 . 1 1 20 20 TRP H H 1 8.105 0.010 . 1 . . . . 20 Trp H . 16919 1 92 . 1 1 20 20 TRP HE1 H 1 9.194 0.000 . 1 . . . . 20 Trp HE1 . 16919 1 93 . 1 1 20 20 TRP C C 13 173.130 0.035 . 1 . . . . 20 Trp C . 16919 1 94 . 1 1 20 20 TRP CA C 13 58.039 0.000 . 1 . . . . 20 Trp CA . 16919 1 95 . 1 1 20 20 TRP CB C 13 31.288 0.000 . 1 . . . . 20 Trp CB . 16919 1 96 . 1 1 20 20 TRP N N 15 130.924 0.112 . 1 . . . . 20 Trp N . 16919 1 97 . 1 1 20 20 TRP NE1 N 15 126.512 0.000 . 1 . . . . 20 Trp NE1 . 16919 1 98 . 1 1 21 21 GLY H H 1 7.370 0.010 . 1 . . . . 21 Gly H . 16919 1 99 . 1 1 21 21 GLY C C 13 171.749 0.000 . 1 . . . . 21 Gly C . 16919 1 100 . 1 1 21 21 GLY CA C 13 44.120 0.000 . 1 . . . . 21 Gly CA . 16919 1 101 . 1 1 21 21 GLY N N 15 116.601 0.063 . 1 . . . . 21 Gly N . 16919 1 102 . 1 1 30 30 PRO C C 13 175.139 0.012 . 1 . . . . 30 Pro C . 16919 1 103 . 1 1 30 30 PRO CA C 13 61.860 0.000 . 1 . . . . 30 Pro CA . 16919 1 104 . 1 1 30 30 PRO CB C 13 33.902 0.000 . 1 . . . . 30 Pro CB . 16919 1 105 . 1 1 31 31 ALA H H 1 9.214 0.012 . 1 . . . . 31 Ala H . 16919 1 106 . 1 1 31 31 ALA C C 13 177.402 0.048 . 1 . . . . 31 Ala C . 16919 1 107 . 1 1 31 31 ALA CA C 13 52.576 0.057 . 1 . . . . 31 Ala CA . 16919 1 108 . 1 1 31 31 ALA CB C 13 17.688 0.000 . 1 . . . . 31 Ala CB . 16919 1 109 . 1 1 31 31 ALA N N 15 119.756 0.162 . 1 . . . . 31 Ala N . 16919 1 110 . 1 1 32 32 THR H H 1 7.020 0.010 . 1 . . . . 32 Thr H . 16919 1 111 . 1 1 32 32 THR C C 13 173.922 0.012 . 1 . . . . 32 Thr C . 16919 1 112 . 1 1 32 32 THR CA C 13 58.499 0.013 . 1 . . . . 32 Thr CA . 16919 1 113 . 1 1 32 32 THR CB C 13 70.544 0.000 . 1 . . . . 32 Thr CB . 16919 1 114 . 1 1 32 32 THR N N 15 102.975 0.082 . 1 . . . . 32 Thr N . 16919 1 115 . 1 1 33 33 SER H H 1 8.277 0.011 . 1 . . . . 33 Ser H . 16919 1 116 . 1 1 33 33 SER C C 13 171.955 0.037 . 1 . . . . 33 Ser C . 16919 1 117 . 1 1 33 33 SER CA C 13 58.132 0.055 . 1 . . . . 33 Ser CA . 16919 1 118 . 1 1 33 33 SER CB C 13 61.106 0.041 . 1 . . . . 33 Ser CB . 16919 1 119 . 1 1 33 33 SER N N 15 122.166 0.053 . 1 . . . . 33 Ser N . 16919 1 120 . 1 1 34 34 SER H H 1 8.644 0.006 . 1 . . . . 34 Ser H . 16919 1 121 . 1 1 34 34 SER C C 13 173.726 0.025 . 1 . . . . 34 Ser C . 16919 1 122 . 1 1 34 34 SER CA C 13 56.777 0.035 . 1 . . . . 34 Ser CA . 16919 1 123 . 1 1 34 34 SER CB C 13 65.724 0.028 . 1 . . . . 34 Ser CB . 16919 1 124 . 1 1 34 34 SER N N 15 111.134 0.057 . 1 . . . . 34 Ser N . 16919 1 125 . 1 1 35 35 ILE H H 1 7.977 0.005 . 1 . . . . 35 Ile H . 16919 1 126 . 1 1 35 35 ILE C C 13 175.011 0.005 . 1 . . . . 35 Ile C . 16919 1 127 . 1 1 35 35 ILE CA C 13 60.637 0.039 . 1 . . . . 35 Ile CA . 16919 1 128 . 1 1 35 35 ILE CB C 13 43.147 0.000 . 1 . . . . 35 Ile CB . 16919 1 129 . 1 1 35 35 ILE N N 15 117.752 0.023 . 1 . . . . 35 Ile N . 16919 1 130 . 1 1 36 36 SER H H 1 10.229 0.006 . 1 . . . . 36 Ser H . 16919 1 131 . 1 1 36 36 SER C C 13 171.782 0.032 . 1 . . . . 36 Ser C . 16919 1 132 . 1 1 36 36 SER CA C 13 55.862 0.033 . 1 . . . . 36 Ser CA . 16919 1 133 . 1 1 36 36 SER CB C 13 67.392 0.079 . 1 . . . . 36 Ser CB . 16919 1 134 . 1 1 36 36 SER N N 15 122.846 0.053 . 1 . . . . 36 Ser N . 16919 1 135 . 1 1 37 37 LEU H H 1 8.482 0.007 . 1 . . . . 37 Leu H . 16919 1 136 . 1 1 37 37 LEU C C 13 176.615 0.038 . 1 . . . . 37 Leu C . 16919 1 137 . 1 1 37 37 LEU CA C 13 53.483 0.059 . 1 . . . . 37 Leu CA . 16919 1 138 . 1 1 37 37 LEU CB C 13 43.940 0.033 . 1 . . . . 37 Leu CB . 16919 1 139 . 1 1 37 37 LEU N N 15 119.418 0.043 . 1 . . . . 37 Leu N . 16919 1 140 . 1 1 38 38 THR H H 1 9.177 0.008 . 1 . . . . 38 Thr H . 16919 1 141 . 1 1 38 38 THR C C 13 174.712 0.053 . 1 . . . . 38 Thr C . 16919 1 142 . 1 1 38 38 THR CA C 13 62.287 0.049 . 1 . . . . 38 Thr CA . 16919 1 143 . 1 1 38 38 THR CB C 13 68.261 0.082 . 1 . . . . 38 Thr CB . 16919 1 144 . 1 1 38 38 THR N N 15 123.201 0.038 . 1 . . . . 38 Thr N . 16919 1 145 . 1 1 39 39 LEU H H 1 8.918 0.005 . 1 . . . . 39 Leu H . 16919 1 146 . 1 1 39 39 LEU C C 13 175.422 0.008 . 1 . . . . 39 Leu C . 16919 1 147 . 1 1 39 39 LEU CA C 13 54.375 0.032 . 1 . . . . 39 Leu CA . 16919 1 148 . 1 1 39 39 LEU CB C 13 41.597 0.000 . 1 . . . . 39 Leu CB . 16919 1 149 . 1 1 39 39 LEU N N 15 129.272 0.025 . 1 . . . . 39 Leu N . 16919 1 150 . 1 1 40 40 GLU H H 1 7.810 0.008 . 1 . . . . 40 Glu H . 16919 1 151 . 1 1 40 40 GLU C C 13 176.593 0.041 . 1 . . . . 40 Glu C . 16919 1 152 . 1 1 40 40 GLU CA C 13 58.069 0.047 . 1 . . . . 40 Glu CA . 16919 1 153 . 1 1 40 40 GLU CB C 13 29.678 0.000 . 1 . . . . 40 Glu CB . 16919 1 154 . 1 1 40 40 GLU N N 15 117.776 0.082 . 1 . . . . 40 Glu N . 16919 1 155 . 1 1 41 41 ASN H H 1 8.224 0.012 . 1 . . . . 41 Asn H . 16919 1 156 . 1 1 41 41 ASN C C 13 174.831 0.021 . 1 . . . . 41 Asn C . 16919 1 157 . 1 1 41 41 ASN CA C 13 52.730 0.026 . 1 . . . . 41 Asn CA . 16919 1 158 . 1 1 41 41 ASN CB C 13 38.583 0.000 . 1 . . . . 41 Asn CB . 16919 1 159 . 1 1 41 41 ASN N N 15 113.030 0.071 . 1 . . . . 41 Asn N . 16919 1 160 . 1 1 42 42 MET H H 1 6.976 0.009 . 1 . . . . 42 Met H . 16919 1 161 . 1 1 42 42 MET C C 13 173.322 0.042 . 1 . . . . 42 Met C . 16919 1 162 . 1 1 42 42 MET CA C 13 54.078 0.060 . 1 . . . . 42 Met CA . 16919 1 163 . 1 1 42 42 MET CB C 13 35.171 0.000 . 1 . . . . 42 Met CB . 16919 1 164 . 1 1 42 42 MET N N 15 118.421 0.084 . 1 . . . . 42 Met N . 16919 1 165 . 1 1 43 43 TYR H H 1 7.916 0.008 . 1 . . . . 43 Tyr H . 16919 1 166 . 1 1 43 43 TYR C C 13 173.585 0.053 . 1 . . . . 43 Tyr C . 16919 1 167 . 1 1 43 43 TYR CA C 13 55.564 0.000 . 1 . . . . 43 Tyr CA . 16919 1 168 . 1 1 43 43 TYR CB C 13 39.671 0.000 . 1 . . . . 43 Tyr CB . 16919 1 169 . 1 1 43 43 TYR N N 15 118.409 0.051 . 1 . . . . 43 Tyr N . 16919 1 170 . 1 1 44 44 THR H H 1 8.582 0.009 . 1 . . . . 44 Thr H . 16919 1 171 . 1 1 44 44 THR C C 13 173.194 0.023 . 1 . . . . 44 Thr C . 16919 1 172 . 1 1 44 44 THR CA C 13 61.715 0.031 . 1 . . . . 44 Thr CA . 16919 1 173 . 1 1 44 44 THR CB C 13 71.474 0.017 . 1 . . . . 44 Thr CB . 16919 1 174 . 1 1 44 44 THR N N 15 115.736 0.070 . 1 . . . . 44 Thr N . 16919 1 175 . 1 1 45 45 GLU H H 1 9.033 0.006 . 1 . . . . 45 Glu H . 16919 1 176 . 1 1 45 45 GLU C C 13 175.237 0.036 . 1 . . . . 45 Glu C . 16919 1 177 . 1 1 45 45 GLU CA C 13 54.429 0.040 . 1 . . . . 45 Glu CA . 16919 1 178 . 1 1 45 45 GLU CB C 13 33.023 0.030 . 1 . . . . 45 Glu CB . 16919 1 179 . 1 1 45 45 GLU N N 15 127.353 0.050 . 1 . . . . 45 Glu N . 16919 1 180 . 1 1 46 46 THR H H 1 8.942 0.005 . 1 . . . . 46 Thr H . 16919 1 181 . 1 1 46 46 THR C C 13 172.558 0.024 . 1 . . . . 46 Thr C . 16919 1 182 . 1 1 46 46 THR CA C 13 62.355 0.015 . 1 . . . . 46 Thr CA . 16919 1 183 . 1 1 46 46 THR CB C 13 72.023 0.008 . 1 . . . . 46 Thr CB . 16919 1 184 . 1 1 46 46 THR N N 15 124.975 0.052 . 1 . . . . 46 Thr N . 16919 1 185 . 1 1 47 47 THR H H 1 9.237 0.006 . 1 . . . . 47 Thr H . 16919 1 186 . 1 1 47 47 THR C C 13 174.069 0.023 . 1 . . . . 47 Thr C . 16919 1 187 . 1 1 47 47 THR CA C 13 60.251 0.029 . 1 . . . . 47 Thr CA . 16919 1 188 . 1 1 47 47 THR CB C 13 71.557 0.000 . 1 . . . . 47 Thr CB . 16919 1 189 . 1 1 47 47 THR N N 15 125.800 0.117 . 1 . . . . 47 Thr N . 16919 1 190 . 1 1 48 48 LEU H H 1 8.479 0.006 . 1 . . . . 48 Leu H . 16919 1 191 . 1 1 48 48 LEU C C 13 174.924 0.003 . 1 . . . . 48 Leu C . 16919 1 192 . 1 1 48 48 LEU CA C 13 52.840 0.051 . 1 . . . . 48 Leu CA . 16919 1 193 . 1 1 48 48 LEU CB C 13 43.706 0.065 . 1 . . . . 48 Leu CB . 16919 1 194 . 1 1 48 48 LEU N N 15 127.889 0.073 . 1 . . . . 48 Leu N . 16919 1 195 . 1 1 49 49 SER H H 1 8.339 0.009 . 1 . . . . 49 Ser H . 16919 1 196 . 1 1 49 49 SER C C 13 170.570 0.000 . 1 . . . . 49 Ser C . 16919 1 197 . 1 1 49 49 SER CA C 13 55.376 0.002 . 1 . . . . 49 Ser CA . 16919 1 198 . 1 1 49 49 SER CB C 13 63.771 0.000 . 1 . . . . 49 Ser CB . 16919 1 199 . 1 1 49 49 SER N N 15 113.643 0.063 . 1 . . . . 49 Ser N . 16919 1 200 . 1 1 50 50 PRO C C 13 178.060 0.000 . 1 . . . . 50 Pro C . 16919 1 201 . 1 1 50 50 PRO CA C 13 63.552 0.009 . 1 . . . . 50 Pro CA . 16919 1 202 . 1 1 50 50 PRO CB C 13 31.642 0.006 . 1 . . . . 50 Pro CB . 16919 1 203 . 1 1 51 51 LEU H H 1 7.775 0.007 . 1 . . . . 51 Leu H . 16919 1 204 . 1 1 51 51 LEU C C 13 175.275 0.000 . 1 . . . . 51 Leu C . 16919 1 205 . 1 1 51 51 LEU CA C 13 52.149 0.000 . 1 . . . . 51 Leu CA . 16919 1 206 . 1 1 51 51 LEU CB C 13 42.061 0.000 . 1 . . . . 51 Leu CB . 16919 1 207 . 1 1 51 51 LEU N N 15 122.612 0.037 . 1 . . . . 51 Leu N . 16919 1 208 . 1 1 52 52 PRO C C 13 176.994 0.008 . 1 . . . . 52 Pro C . 16919 1 209 . 1 1 52 52 PRO CA C 13 62.574 0.028 . 1 . . . . 52 Pro CA . 16919 1 210 . 1 1 52 52 PRO CB C 13 31.917 0.044 . 1 . . . . 52 Pro CB . 16919 1 211 . 1 1 53 53 ALA H H 1 8.465 0.006 . 1 . . . . 53 Ala H . 16919 1 212 . 1 1 53 53 ALA C C 13 178.101 0.046 . 1 . . . . 53 Ala C . 16919 1 213 . 1 1 53 53 ALA CA C 13 53.946 0.079 . 1 . . . . 53 Ala CA . 16919 1 214 . 1 1 53 53 ALA CB C 13 18.315 0.003 . 1 . . . . 53 Ala CB . 16919 1 215 . 1 1 53 53 ALA N N 15 120.917 0.057 . 1 . . . . 53 Ala N . 16919 1 216 . 1 1 54 54 ASN H H 1 8.075 0.007 . 1 . . . . 54 Asn H . 16919 1 217 . 1 1 54 54 ASN C C 13 175.927 0.018 . 1 . . . . 54 Asn C . 16919 1 218 . 1 1 54 54 ASN CA C 13 53.313 0.035 . 1 . . . . 54 Asn CA . 16919 1 219 . 1 1 54 54 ASN CB C 13 37.184 0.055 . 1 . . . . 54 Asn CB . 16919 1 220 . 1 1 54 54 ASN N N 15 112.257 0.095 . 1 . . . . 54 Asn N . 16919 1 221 . 1 1 55 55 VAL H H 1 7.517 0.007 . 1 . . . . 55 Val H . 16919 1 222 . 1 1 55 55 VAL C C 13 177.008 0.021 . 1 . . . . 55 Val C . 16919 1 223 . 1 1 55 55 VAL CA C 13 62.022 0.040 . 1 . . . . 55 Val CA . 16919 1 224 . 1 1 55 55 VAL CB C 13 31.096 0.027 . 1 . . . . 55 Val CB . 16919 1 225 . 1 1 55 55 VAL N N 15 117.926 0.068 . 1 . . . . 55 Val N . 16919 1 226 . 1 1 56 56 THR H H 1 8.346 0.006 . 1 . . . . 56 Thr H . 16919 1 227 . 1 1 56 56 THR C C 13 173.079 0.016 . 1 . . . . 56 Thr C . 16919 1 228 . 1 1 56 56 THR CA C 13 60.999 0.014 . 1 . . . . 56 Thr CA . 16919 1 229 . 1 1 56 56 THR CB C 13 68.890 0.015 . 1 . . . . 56 Thr CB . 16919 1 230 . 1 1 56 56 THR N N 15 110.147 0.078 . 1 . . . . 56 Thr N . 16919 1 231 . 1 1 57 57 ALA H H 1 6.546 0.008 . 1 . . . . 57 Ala H . 16919 1 232 . 1 1 57 57 ALA C C 13 176.019 0.015 . 1 . . . . 57 Ala C . 16919 1 233 . 1 1 57 57 ALA CA C 13 51.359 0.011 . 1 . . . . 57 Ala CA . 16919 1 234 . 1 1 57 57 ALA CB C 13 21.463 0.002 . 1 . . . . 57 Ala CB . 16919 1 235 . 1 1 57 57 ALA N N 15 122.435 0.060 . 1 . . . . 57 Ala N . 16919 1 236 . 1 1 58 58 ASP H H 1 7.968 0.006 . 1 . . . . 58 Asp H . 16919 1 237 . 1 1 58 58 ASP C C 13 175.841 0.037 . 1 . . . . 58 Asp C . 16919 1 238 . 1 1 58 58 ASP CA C 13 55.230 0.014 . 1 . . . . 58 Asp CA . 16919 1 239 . 1 1 58 58 ASP CB C 13 41.653 0.080 . 1 . . . . 58 Asp CB . 16919 1 240 . 1 1 58 58 ASP N N 15 118.700 0.031 . 1 . . . . 58 Asp N . 16919 1 241 . 1 1 59 59 GLU H H 1 8.376 0.008 . 1 . . . . 59 Glu H . 16919 1 242 . 1 1 59 59 GLU C C 13 174.610 0.039 . 1 . . . . 59 Glu C . 16919 1 243 . 1 1 59 59 GLU CA C 13 54.849 0.054 . 1 . . . . 59 Glu CA . 16919 1 244 . 1 1 59 59 GLU CB C 13 34.819 0.000 . 1 . . . . 59 Glu CB . 16919 1 245 . 1 1 59 59 GLU N N 15 117.992 0.087 . 1 . . . . 59 Glu N . 16919 1 246 . 1 1 60 60 PHE H H 1 9.048 0.009 . 1 . . . . 60 Phe H . 16919 1 247 . 1 1 60 60 PHE C C 13 171.851 0.000 . 1 . . . . 60 Phe C . 16919 1 248 . 1 1 60 60 PHE CA C 13 54.035 0.076 . 1 . . . . 60 Phe CA . 16919 1 249 . 1 1 60 60 PHE N N 15 125.294 0.081 . 1 . . . . 60 Phe N . 16919 1 250 . 1 1 61 61 TYR H H 1 9.268 0.007 . 1 . . . . 61 Tyr H . 16919 1 251 . 1 1 61 61 TYR C C 13 176.640 0.000 . 1 . . . . 61 Tyr C . 16919 1 252 . 1 1 61 61 TYR CA C 13 56.209 0.007 . 1 . . . . 61 Tyr CA . 16919 1 253 . 1 1 61 61 TYR N N 15 128.116 0.040 . 1 . . . . 61 Tyr N . 16919 1 254 . 1 1 62 62 ILE C C 13 177.888 0.007 . 1 . . . . 62 Ile C . 16919 1 255 . 1 1 62 62 ILE CA C 13 59.776 0.000 . 1 . . . . 62 Ile CA . 16919 1 256 . 1 1 62 62 ILE CB C 13 39.182 0.000 . 1 . . . . 62 Ile CB . 16919 1 257 . 1 1 63 63 ASN H H 1 9.562 0.005 . 1 . . . . 63 Asn H . 16919 1 258 . 1 1 63 63 ASN C C 13 175.932 0.004 . 1 . . . . 63 Asn C . 16919 1 259 . 1 1 63 63 ASN CA C 13 53.881 0.022 . 1 . . . . 63 Asn CA . 16919 1 260 . 1 1 63 63 ASN CB C 13 36.391 0.000 . 1 . . . . 63 Asn CB . 16919 1 261 . 1 1 63 63 ASN N N 15 130.112 0.103 . 1 . . . . 63 Asn N . 16919 1 262 . 1 1 64 64 GLY H H 1 9.320 0.009 . 1 . . . . 64 Gly H . 16919 1 263 . 1 1 64 64 GLY C C 13 174.135 0.019 . 1 . . . . 64 Gly C . 16919 1 264 . 1 1 64 64 GLY CA C 13 45.125 0.022 . 1 . . . . 64 Gly CA . 16919 1 265 . 1 1 64 64 GLY N N 15 104.302 0.067 . 1 . . . . 64 Gly N . 16919 1 266 . 1 1 65 65 GLN H H 1 8.115 0.012 . 1 . . . . 65 Gln H . 16919 1 267 . 1 1 65 65 GLN C C 13 176.448 0.023 . 1 . . . . 65 Gln C . 16919 1 268 . 1 1 65 65 GLN CA C 13 53.842 0.090 . 1 . . . . 65 Gln CA . 16919 1 269 . 1 1 65 65 GLN CB C 13 29.205 0.000 . 1 . . . . 65 Gln CB . 16919 1 270 . 1 1 65 65 GLN N N 15 120.799 0.076 . 1 . . . . 65 Gln N . 16919 1 271 . 1 1 66 66 LEU H H 1 9.210 0.006 . 1 . . . . 66 Leu H . 16919 1 272 . 1 1 66 66 LEU C C 13 177.929 0.008 . 1 . . . . 66 Leu C . 16919 1 273 . 1 1 66 66 LEU CA C 13 55.976 0.108 . 1 . . . . 66 Leu CA . 16919 1 274 . 1 1 66 66 LEU CB C 13 41.507 0.000 . 1 . . . . 66 Leu CB . 16919 1 275 . 1 1 66 66 LEU N N 15 133.757 0.055 . 1 . . . . 66 Leu N . 16919 1 276 . 1 1 67 67 GLN H H 1 8.372 0.009 . 1 . . . . 67 Gln H . 16919 1 277 . 1 1 67 67 GLN C C 13 175.119 0.014 . 1 . . . . 67 Gln C . 16919 1 278 . 1 1 67 67 GLN CA C 13 53.913 0.025 . 1 . . . . 67 Gln CA . 16919 1 279 . 1 1 67 67 GLN CB C 13 30.159 0.000 . 1 . . . . 67 Gln CB . 16919 1 280 . 1 1 67 67 GLN N N 15 125.791 0.024 . 1 . . . . 67 Gln N . 16919 1 281 . 1 1 68 68 ASN H H 1 8.600 0.005 . 1 . . . . 68 Asn H . 16919 1 282 . 1 1 68 68 ASN C C 13 177.918 0.000 . 1 . . . . 68 Asn C . 16919 1 283 . 1 1 68 68 ASN CA C 13 52.575 0.014 . 1 . . . . 68 Asn CA . 16919 1 284 . 1 1 68 68 ASN CB C 13 38.196 0.000 . 1 . . . . 68 Asn CB . 16919 1 285 . 1 1 68 68 ASN N N 15 117.789 0.035 . 1 . . . . 68 Asn N . 16919 1 286 . 1 1 69 69 GLU C C 13 179.258 0.003 . 1 . . . . 69 Glu C . 16919 1 287 . 1 1 69 69 GLU CA C 13 59.969 0.031 . 1 . . . . 69 Glu CA . 16919 1 288 . 1 1 70 70 VAL H H 1 7.827 0.009 . 1 . . . . 70 Val H . 16919 1 289 . 1 1 70 70 VAL C C 13 179.675 0.081 . 1 . . . . 70 Val C . 16919 1 290 . 1 1 70 70 VAL CA C 13 65.665 0.027 . 1 . . . . 70 Val CA . 16919 1 291 . 1 1 70 70 VAL CB C 13 30.992 0.000 . 1 . . . . 70 Val CB . 16919 1 292 . 1 1 70 70 VAL N N 15 123.872 0.077 . 1 . . . . 70 Val N . 16919 1 293 . 1 1 71 71 GLU H H 1 8.639 0.006 . 1 . . . . 71 Glu H . 16919 1 294 . 1 1 71 71 GLU C C 13 180.006 0.049 . 1 . . . . 71 Glu C . 16919 1 295 . 1 1 71 71 GLU CA C 13 58.169 0.035 . 1 . . . . 71 Glu CA . 16919 1 296 . 1 1 71 71 GLU CB C 13 28.723 0.000 . 1 . . . . 71 Glu CB . 16919 1 297 . 1 1 71 71 GLU N N 15 120.627 0.124 . 1 . . . . 71 Glu N . 16919 1 298 . 1 1 72 72 HIS H H 1 8.292 0.008 . 1 . . . . 72 His H . 16919 1 299 . 1 1 72 72 HIS C C 13 177.404 0.097 . 1 . . . . 72 His C . 16919 1 300 . 1 1 72 72 HIS CA C 13 62.038 0.004 . 1 . . . . 72 His CA . 16919 1 301 . 1 1 72 72 HIS CB C 13 34.797 0.000 . 1 . . . . 72 His CB . 16919 1 302 . 1 1 72 72 HIS N N 15 117.198 0.116 . 1 . . . . 72 His N . 16919 1 303 . 1 1 73 73 ALA H H 1 7.844 0.007 . 1 . . . . 73 Ala H . 16919 1 304 . 1 1 73 73 ALA C C 13 180.638 0.029 . 1 . . . . 73 Ala C . 16919 1 305 . 1 1 73 73 ALA CA C 13 55.063 0.020 . 1 . . . . 73 Ala CA . 16919 1 306 . 1 1 73 73 ALA CB C 13 17.116 0.000 . 1 . . . . 73 Ala CB . 16919 1 307 . 1 1 73 73 ALA N N 15 121.161 0.047 . 1 . . . . 73 Ala N . 16919 1 308 . 1 1 74 74 LYS H H 1 7.620 0.010 . 1 . . . . 74 Lys H . 16919 1 309 . 1 1 74 74 LYS C C 13 179.270 0.035 . 1 . . . . 74 Lys C . 16919 1 310 . 1 1 74 74 LYS CA C 13 59.115 0.017 . 1 . . . . 74 Lys CA . 16919 1 311 . 1 1 74 74 LYS CB C 13 32.129 0.000 . 1 . . . . 74 Lys CB . 16919 1 312 . 1 1 74 74 LYS N N 15 118.165 0.081 . 1 . . . . 74 Lys N . 16919 1 313 . 1 1 75 75 MET H H 1 7.532 0.009 . 1 . . . . 75 Met H . 16919 1 314 . 1 1 75 75 MET C C 13 179.566 0.053 . 1 . . . . 75 Met C . 16919 1 315 . 1 1 75 75 MET CA C 13 56.465 0.012 . 1 . . . . 75 Met CA . 16919 1 316 . 1 1 75 75 MET CB C 13 32.012 0.000 . 1 . . . . 75 Met CB . 16919 1 317 . 1 1 75 75 MET N N 15 116.011 0.042 . 1 . . . . 75 Met N . 16919 1 318 . 1 1 76 76 SER H H 1 8.862 0.006 . 1 . . . . 76 Ser H . 16919 1 319 . 1 1 76 76 SER C C 13 175.248 0.028 . 1 . . . . 76 Ser C . 16919 1 320 . 1 1 76 76 SER CA C 13 63.257 0.078 . 1 . . . . 76 Ser CA . 16919 1 321 . 1 1 76 76 SER CB C 13 62.120 0.000 . 1 . . . . 76 Ser CB . 16919 1 322 . 1 1 76 76 SER N N 15 117.741 0.048 . 1 . . . . 76 Ser N . 16919 1 323 . 1 1 77 77 LYS H H 1 7.469 0.008 . 1 . . . . 77 Lys H . 16919 1 324 . 1 1 77 77 LYS C C 13 179.447 0.013 . 1 . . . . 77 Lys C . 16919 1 325 . 1 1 77 77 LYS CA C 13 58.773 0.008 . 1 . . . . 77 Lys CA . 16919 1 326 . 1 1 77 77 LYS CB C 13 31.638 0.095 . 1 . . . . 77 Lys CB . 16919 1 327 . 1 1 77 77 LYS N N 15 119.556 0.065 . 1 . . . . 77 Lys N . 16919 1 328 . 1 1 78 78 ILE H H 1 7.005 0.008 . 1 . . . . 78 Ile H . 16919 1 329 . 1 1 78 78 ILE C C 13 177.803 0.022 . 1 . . . . 78 Ile C . 16919 1 330 . 1 1 78 78 ILE CA C 13 63.828 0.026 . 1 . . . . 78 Ile CA . 16919 1 331 . 1 1 78 78 ILE CB C 13 36.036 0.000 . 1 . . . . 78 Ile CB . 16919 1 332 . 1 1 78 78 ILE N N 15 119.302 0.050 . 1 . . . . 78 Ile N . 16919 1 333 . 1 1 79 79 ILE H H 1 7.932 0.007 . 1 . . . . 79 Ile H . 16919 1 334 . 1 1 79 79 ILE C C 13 179.119 0.000 . 1 . . . . 79 Ile C . 16919 1 335 . 1 1 79 79 ILE CA C 13 65.077 0.007 . 1 . . . . 79 Ile CA . 16919 1 336 . 1 1 79 79 ILE CB C 13 36.702 0.000 . 1 . . . . 79 Ile CB . 16919 1 337 . 1 1 79 79 ILE N N 15 119.097 0.065 . 1 . . . . 79 Ile N . 16919 1 338 . 1 1 80 80 ASP H H 1 8.708 0.009 . 1 . . . . 80 Asp H . 16919 1 339 . 1 1 80 80 ASP C C 13 177.897 0.007 . 1 . . . . 80 Asp C . 16919 1 340 . 1 1 80 80 ASP CA C 13 56.757 0.025 . 1 . . . . 80 Asp CA . 16919 1 341 . 1 1 80 80 ASP CB C 13 40.304 0.000 . 1 . . . . 80 Asp CB . 16919 1 342 . 1 1 80 80 ASP N N 15 118.362 0.055 . 1 . . . . 80 Asp N . 16919 1 343 . 1 1 81 81 ARG H H 1 7.313 0.009 . 1 . . . . 81 Arg H . 16919 1 344 . 1 1 81 81 ARG C C 13 176.934 0.000 . 1 . . . . 81 Arg C . 16919 1 345 . 1 1 81 81 ARG CA C 13 58.279 0.008 . 1 . . . . 81 Arg CA . 16919 1 346 . 1 1 81 81 ARG CB C 13 28.571 0.000 . 1 . . . . 81 Arg CB . 16919 1 347 . 1 1 81 81 ARG N N 15 119.929 0.105 . 1 . . . . 81 Arg N . 16919 1 348 . 1 1 82 82 TYR H H 1 7.290 0.010 . 1 . . . . 82 Tyr H . 16919 1 349 . 1 1 82 82 TYR C C 13 174.742 0.000 . 1 . . . . 82 Tyr C . 16919 1 350 . 1 1 82 82 TYR CA C 13 58.235 0.000 . 1 . . . . 82 Tyr CA . 16919 1 351 . 1 1 82 82 TYR CB C 13 40.380 0.000 . 1 . . . . 82 Tyr CB . 16919 1 352 . 1 1 82 82 TYR N N 15 116.547 0.091 . 1 . . . . 82 Tyr N . 16919 1 353 . 1 1 83 83 ARG H H 1 7.722 0.007 . 1 . . . . 83 Arg H . 16919 1 354 . 1 1 83 83 ARG C C 13 173.813 0.000 . 1 . . . . 83 Arg C . 16919 1 355 . 1 1 83 83 ARG CA C 13 53.785 0.021 . 1 . . . . 83 Arg CA . 16919 1 356 . 1 1 83 83 ARG CB C 13 30.739 0.000 . 1 . . . . 83 Arg CB . 16919 1 357 . 1 1 83 83 ARG N N 15 122.412 0.091 . 1 . . . . 83 Arg N . 16919 1 358 . 1 1 84 84 PRO C C 13 176.239 0.010 . 1 . . . . 84 Pro C . 16919 1 359 . 1 1 84 84 PRO CA C 13 62.341 0.024 . 1 . . . . 84 Pro CA . 16919 1 360 . 1 1 84 84 PRO CB C 13 31.693 0.012 . 1 . . . . 84 Pro CB . 16919 1 361 . 1 1 85 85 ALA H H 1 8.310 0.006 . 1 . . . . 85 Ala H . 16919 1 362 . 1 1 85 85 ALA C C 13 179.474 0.019 . 1 . . . . 85 Ala C . 16919 1 363 . 1 1 85 85 ALA CA C 13 53.220 0.015 . 1 . . . . 85 Ala CA . 16919 1 364 . 1 1 85 85 ALA CB C 13 17.422 0.017 . 1 . . . . 85 Ala CB . 16919 1 365 . 1 1 85 85 ALA N N 15 125.192 0.027 . 1 . . . . 85 Ala N . 16919 1 366 . 1 1 86 86 GLY H H 1 8.618 0.010 . 1 . . . . 86 Gly H . 16919 1 367 . 1 1 86 86 GLY C C 13 174.728 0.000 . 1 . . . . 86 Gly C . 16919 1 368 . 1 1 86 86 GLY CA C 13 45.076 0.018 . 1 . . . . 86 Gly CA . 16919 1 369 . 1 1 86 86 GLY N N 15 111.541 0.013 . 1 . . . . 86 Gly N . 16919 1 370 . 1 1 87 87 GLU H H 1 7.539 0.007 . 1 . . . . 87 Glu H . 16919 1 371 . 1 1 87 87 GLU C C 13 176.839 0.021 . 1 . . . . 87 Glu C . 16919 1 372 . 1 1 87 87 GLU CA C 13 56.757 0.019 . 1 . . . . 87 Glu CA . 16919 1 373 . 1 1 87 87 GLU CB C 13 30.255 0.019 . 1 . . . . 87 Glu CB . 16919 1 374 . 1 1 87 87 GLU N N 15 121.030 0.025 . 1 . . . . 87 Glu N . 16919 1 375 . 1 1 88 88 GLY H H 1 8.238 0.008 . 1 . . . . 88 Gly H . 16919 1 376 . 1 1 88 88 GLY C C 13 173.522 0.014 . 1 . . . . 88 Gly C . 16919 1 377 . 1 1 88 88 GLY CA C 13 44.061 0.003 . 1 . . . . 88 Gly CA . 16919 1 378 . 1 1 88 88 GLY N N 15 108.063 0.039 . 1 . . . . 88 Gly N . 16919 1 379 . 1 1 89 89 PHE H H 1 8.267 0.005 . 1 . . . . 89 Phe H . 16919 1 380 . 1 1 89 89 PHE C C 13 175.622 0.036 . 1 . . . . 89 Phe C . 16919 1 381 . 1 1 89 89 PHE CA C 13 58.334 0.003 . 1 . . . . 89 Phe CA . 16919 1 382 . 1 1 89 89 PHE CB C 13 39.638 0.091 . 1 . . . . 89 Phe CB . 16919 1 383 . 1 1 89 89 PHE N N 15 119.198 0.047 . 1 . . . . 89 Phe N . 16919 1 384 . 1 1 90 90 VAL H H 1 10.122 0.006 . 1 . . . . 90 Val H . 16919 1 385 . 1 1 90 90 VAL C C 13 173.718 0.004 . 1 . . . . 90 Val C . 16919 1 386 . 1 1 90 90 VAL CA C 13 59.532 0.019 . 1 . . . . 90 Val CA . 16919 1 387 . 1 1 90 90 VAL CB C 13 35.095 0.016 . 1 . . . . 90 Val CB . 16919 1 388 . 1 1 90 90 VAL N N 15 117.275 0.047 . 1 . . . . 90 Val N . 16919 1 389 . 1 1 91 91 ARG H H 1 9.207 0.008 . 1 . . . . 91 Arg H . 16919 1 390 . 1 1 91 91 ARG C C 13 174.866 0.052 . 1 . . . . 91 Arg C . 16919 1 391 . 1 1 91 91 ARG CA C 13 54.164 0.037 . 1 . . . . 91 Arg CA . 16919 1 392 . 1 1 91 91 ARG CB C 13 30.759 0.056 . 1 . . . . 91 Arg CB . 16919 1 393 . 1 1 91 91 ARG N N 15 123.262 0.089 . 1 . . . . 91 Arg N . 16919 1 394 . 1 1 92 92 ILE H H 1 9.540 0.008 . 1 . . . . 92 Ile H . 16919 1 395 . 1 1 92 92 ILE C C 13 174.924 0.027 . 1 . . . . 92 Ile C . 16919 1 396 . 1 1 92 92 ILE CA C 13 59.824 0.015 . 1 . . . . 92 Ile CA . 16919 1 397 . 1 1 92 92 ILE CB C 13 39.597 0.061 . 1 . . . . 92 Ile CB . 16919 1 398 . 1 1 92 92 ILE N N 15 130.022 0.082 . 1 . . . . 92 Ile N . 16919 1 399 . 1 1 93 93 ASP H H 1 9.145 0.004 . 1 . . . . 93 Asp H . 16919 1 400 . 1 1 93 93 ASP C C 13 175.482 0.061 . 1 . . . . 93 Asp C . 16919 1 401 . 1 1 93 93 ASP CA C 13 53.631 0.071 . 1 . . . . 93 Asp CA . 16919 1 402 . 1 1 93 93 ASP CB C 13 43.922 0.030 . 1 . . . . 93 Asp CB . 16919 1 403 . 1 1 93 93 ASP N N 15 126.768 0.034 . 1 . . . . 93 Asp N . 16919 1 404 . 1 1 94 94 THR H H 1 8.821 0.010 . 1 . . . . 94 Thr H . 16919 1 405 . 1 1 94 94 THR C C 13 173.120 0.020 . 1 . . . . 94 Thr C . 16919 1 406 . 1 1 94 94 THR CA C 13 61.542 0.038 . 1 . . . . 94 Thr CA . 16919 1 407 . 1 1 94 94 THR CB C 13 71.176 0.030 . 1 . . . . 94 Thr CB . 16919 1 408 . 1 1 94 94 THR N N 15 122.582 0.056 . 1 . . . . 94 Thr N . 16919 1 409 . 1 1 95 95 GLN H H 1 9.415 0.008 . 1 . . . . 95 Gln H . 16919 1 410 . 1 1 95 95 GLN C C 13 174.882 0.026 . 1 . . . . 95 Gln C . 16919 1 411 . 1 1 95 95 GLN CA C 13 53.937 0.030 . 1 . . . . 95 Gln CA . 16919 1 412 . 1 1 95 95 GLN CB C 13 30.687 0.000 . 1 . . . . 95 Gln CB . 16919 1 413 . 1 1 95 95 GLN N N 15 127.200 0.052 . 1 . . . . 95 Gln N . 16919 1 414 . 1 1 96 96 ASN H H 1 9.375 0.006 . 1 . . . . 96 Asn H . 16919 1 415 . 1 1 96 96 ASN C C 13 174.760 0.028 . 1 . . . . 96 Asn C . 16919 1 416 . 1 1 96 96 ASN CA C 13 52.288 0.032 . 1 . . . . 96 Asn CA . 16919 1 417 . 1 1 96 96 ASN CB C 13 40.367 0.026 . 1 . . . . 96 Asn CB . 16919 1 418 . 1 1 96 96 ASN N N 15 124.241 0.044 . 1 . . . . 96 Asn N . 16919 1 419 . 1 1 97 97 ASN H H 1 8.262 0.010 . 1 . . . . 97 Asn H . 16919 1 420 . 1 1 97 97 ASN C C 13 175.004 0.083 . 1 . . . . 97 Asn C . 16919 1 421 . 1 1 97 97 ASN CA C 13 52.329 0.001 . 1 . . . . 97 Asn CA . 16919 1 422 . 1 1 97 97 ASN CB C 13 40.505 0.000 . 1 . . . . 97 Asn CB . 16919 1 423 . 1 1 97 97 ASN N N 15 123.950 0.120 . 1 . . . . 97 Asn N . 16919 1 424 . 1 1 98 98 MET H H 1 7.837 0.007 . 1 . . . . 98 Met H . 16919 1 425 . 1 1 98 98 MET C C 13 173.696 0.000 . 1 . . . . 98 Met C . 16919 1 426 . 1 1 98 98 MET CA C 13 53.184 0.056 . 1 . . . . 98 Met CA . 16919 1 427 . 1 1 98 98 MET CB C 13 28.853 0.000 . 1 . . . . 98 Met CB . 16919 1 428 . 1 1 98 98 MET N N 15 119.747 0.048 . 1 . . . . 98 Met N . 16919 1 429 . 1 1 99 99 PRO C C 13 175.406 0.015 . 1 . . . . 99 Pro C . 16919 1 430 . 1 1 99 99 PRO CA C 13 58.891 0.006 . 1 . . . . 99 Pro CA . 16919 1 431 . 1 1 100 100 THR H H 1 8.774 0.007 . 1 . . . . 100 Thr H . 16919 1 432 . 1 1 100 100 THR C C 13 179.152 0.000 . 1 . . . . 100 Thr C . 16919 1 433 . 1 1 100 100 THR CA C 13 57.925 0.019 . 1 . . . . 100 Thr CA . 16919 1 434 . 1 1 100 100 THR N N 15 119.570 0.070 . 1 . . . . 100 Thr N . 16919 1 435 . 1 1 101 101 ALA H H 1 8.176 0.004 . 1 . . . . 101 Ala H . 16919 1 436 . 1 1 101 101 ALA C C 13 176.110 0.000 . 1 . . . . 101 Ala C . 16919 1 437 . 1 1 101 101 ALA CA C 13 54.541 0.022 . 1 . . . . 101 Ala CA . 16919 1 438 . 1 1 101 101 ALA CB C 13 17.791 0.005 . 1 . . . . 101 Ala CB . 16919 1 439 . 1 1 101 101 ALA N N 15 122.257 0.025 . 1 . . . . 101 Ala N . 16919 1 440 . 1 1 102 102 ALA H H 1 7.737 0.009 . 1 . . . . 102 Ala H . 16919 1 441 . 1 1 102 102 ALA CA C 13 61.535 0.041 . 1 . . . . 102 Ala CA . 16919 1 442 . 1 1 102 102 ALA CB C 13 17.777 0.000 . 1 . . . . 102 Ala CB . 16919 1 443 . 1 1 102 102 ALA N N 15 117.773 0.064 . 1 . . . . 102 Ala N . 16919 1 444 . 1 1 112 112 SER C C 13 177.090 0.022 . 1 . . . . 112 Ser C . 16919 1 445 . 1 1 113 113 ALA H H 1 8.017 0.009 . 1 . . . . 113 Ala H . 16919 1 446 . 1 1 113 113 ALA C C 13 178.931 0.009 . 1 . . . . 113 Ala C . 16919 1 447 . 1 1 113 113 ALA CA C 13 55.080 0.042 . 1 . . . . 113 Ala CA . 16919 1 448 . 1 1 113 113 ALA CB C 13 17.137 0.038 . 1 . . . . 113 Ala CB . 16919 1 449 . 1 1 113 113 ALA N N 15 122.958 0.133 . 1 . . . . 113 Ala N . 16919 1 450 . 1 1 114 114 LEU H H 1 7.683 0.004 . 1 . . . . 114 Leu H . 16919 1 451 . 1 1 114 114 LEU C C 13 179.269 0.030 . 1 . . . . 114 Leu C . 16919 1 452 . 1 1 114 114 LEU CA C 13 57.612 0.045 . 1 . . . . 114 Leu CA . 16919 1 453 . 1 1 114 114 LEU CB C 13 40.527 0.034 . 1 . . . . 114 Leu CB . 16919 1 454 . 1 1 114 114 LEU N N 15 118.665 0.094 . 1 . . . . 114 Leu N . 16919 1 455 . 1 1 115 115 VAL H H 1 7.835 0.008 . 1 . . . . 115 Val H . 16919 1 456 . 1 1 115 115 VAL C C 13 177.844 0.043 . 1 . . . . 115 Val C . 16919 1 457 . 1 1 115 115 VAL CA C 13 67.464 0.031 . 1 . . . . 115 Val CA . 16919 1 458 . 1 1 115 115 VAL CB C 13 31.158 0.000 . 1 . . . . 115 Val CB . 16919 1 459 . 1 1 115 115 VAL N N 15 121.025 0.056 . 1 . . . . 115 Val N . 16919 1 460 . 1 1 116 116 LYS H H 1 7.987 0.005 . 1 . . . . 116 Lys H . 16919 1 461 . 1 1 116 116 LYS C C 13 179.224 0.042 . 1 . . . . 116 Lys C . 16919 1 462 . 1 1 116 116 LYS CA C 13 59.893 0.018 . 1 . . . . 116 Lys CA . 16919 1 463 . 1 1 116 116 LYS CB C 13 32.535 0.000 . 1 . . . . 116 Lys CB . 16919 1 464 . 1 1 116 116 LYS N N 15 119.439 0.129 . 1 . . . . 116 Lys N . 16919 1 465 . 1 1 117 117 ALA H H 1 9.019 0.007 . 1 . . . . 117 Ala H . 16919 1 466 . 1 1 117 117 ALA C C 13 179.344 0.032 . 1 . . . . 117 Ala C . 16919 1 467 . 1 1 117 117 ALA CA C 13 54.738 0.033 . 1 . . . . 117 Ala CA . 16919 1 468 . 1 1 117 117 ALA CB C 13 17.168 0.000 . 1 . . . . 117 Ala CB . 16919 1 469 . 1 1 117 117 ALA N N 15 123.349 0.097 . 1 . . . . 117 Ala N . 16919 1 470 . 1 1 118 118 CYS H H 1 8.638 0.012 . 1 . . . . 118 Cys H . 16919 1 471 . 1 1 118 118 CYS C C 13 176.906 0.021 . 1 . . . . 118 Cys C . 16919 1 472 . 1 1 118 118 CYS CA C 13 64.786 0.011 . 1 . . . . 118 Cys CA . 16919 1 473 . 1 1 118 118 CYS CB C 13 27.279 0.000 . 1 . . . . 118 Cys CB . 16919 1 474 . 1 1 118 118 CYS N N 15 117.712 0.103 . 1 . . . . 118 Cys N . 16919 1 475 . 1 1 119 119 ASN H H 1 7.558 0.004 . 1 . . . . 119 Asn H . 16919 1 476 . 1 1 119 119 ASN C C 13 177.430 0.073 . 1 . . . . 119 Asn C . 16919 1 477 . 1 1 119 119 ASN CA C 13 56.945 0.011 . 1 . . . . 119 Asn CA . 16919 1 478 . 1 1 119 119 ASN CB C 13 39.824 0.000 . 1 . . . . 119 Asn CB . 16919 1 479 . 1 1 119 119 ASN N N 15 117.146 0.045 . 1 . . . . 119 Asn N . 16919 1 480 . 1 1 120 120 ALA H H 1 7.335 0.011 . 1 . . . . 120 Ala H . 16919 1 481 . 1 1 120 120 ALA C C 13 179.303 0.026 . 1 . . . . 120 Ala C . 16919 1 482 . 1 1 120 120 ALA CA C 13 54.345 0.052 . 1 . . . . 120 Ala CA . 16919 1 483 . 1 1 120 120 ALA CB C 13 18.426 0.000 . 1 . . . . 120 Ala CB . 16919 1 484 . 1 1 120 120 ALA N N 15 120.514 0.057 . 1 . . . . 120 Ala N . 16919 1 485 . 1 1 121 121 TYR H H 1 9.256 0.010 . 1 . . . . 121 Tyr H . 16919 1 486 . 1 1 121 121 TYR C C 13 176.797 0.060 . 1 . . . . 121 Tyr C . 16919 1 487 . 1 1 121 121 TYR CA C 13 61.181 0.077 . 1 . . . . 121 Tyr CA . 16919 1 488 . 1 1 121 121 TYR CB C 13 40.405 0.000 . 1 . . . . 121 Tyr CB . 16919 1 489 . 1 1 121 121 TYR N N 15 120.772 0.085 . 1 . . . . 121 Tyr N . 16919 1 490 . 1 1 122 122 PHE H H 1 8.055 0.014 . 1 . . . . 122 Phe H . 16919 1 491 . 1 1 122 122 PHE C C 13 173.821 0.046 . 1 . . . . 122 Phe C . 16919 1 492 . 1 1 122 122 PHE CA C 13 57.303 0.042 . 1 . . . . 122 Phe CA . 16919 1 493 . 1 1 122 122 PHE CB C 13 37.385 0.000 . 1 . . . . 122 Phe CB . 16919 1 494 . 1 1 122 122 PHE N N 15 112.413 0.062 . 1 . . . . 122 Phe N . 16919 1 495 . 1 1 123 123 LYS H H 1 7.213 0.008 . 1 . . . . 123 Lys H . 16919 1 496 . 1 1 123 123 LYS C C 13 176.938 0.019 . 1 . . . . 123 Lys C . 16919 1 497 . 1 1 123 123 LYS CA C 13 56.081 0.049 . 1 . . . . 123 Lys CA . 16919 1 498 . 1 1 123 123 LYS CB C 13 27.780 0.000 . 1 . . . . 123 Lys CB . 16919 1 499 . 1 1 123 123 LYS N N 15 116.126 0.095 . 1 . . . . 123 Lys N . 16919 1 500 . 1 1 124 124 LEU H H 1 7.989 0.010 . 1 . . . . 124 Leu H . 16919 1 501 . 1 1 124 124 LEU C C 13 179.849 0.075 . 1 . . . . 124 Leu C . 16919 1 502 . 1 1 124 124 LEU CA C 13 56.143 0.032 . 1 . . . . 124 Leu CA . 16919 1 503 . 1 1 124 124 LEU CB C 13 39.983 0.000 . 1 . . . . 124 Leu CB . 16919 1 504 . 1 1 124 124 LEU N N 15 117.251 0.031 . 1 . . . . 124 Leu N . 16919 1 505 . 1 1 125 125 GLY H H 1 8.594 0.006 . 1 . . . . 125 Gly H . 16919 1 506 . 1 1 125 125 GLY C C 13 175.362 0.031 . 1 . . . . 125 Gly C . 16919 1 507 . 1 1 125 125 GLY CA C 13 45.933 0.013 . 1 . . . . 125 Gly CA . 16919 1 508 . 1 1 125 125 GLY N N 15 106.797 0.032 . 1 . . . . 125 Gly N . 16919 1 509 . 1 1 126 126 LEU H H 1 8.522 0.004 . 1 . . . . 126 Leu H . 16919 1 510 . 1 1 126 126 LEU C C 13 177.807 0.022 . 1 . . . . 126 Leu C . 16919 1 511 . 1 1 126 126 LEU CA C 13 54.978 0.010 . 1 . . . . 126 Leu CA . 16919 1 512 . 1 1 126 126 LEU CB C 13 40.623 0.000 . 1 . . . . 126 Leu CB . 16919 1 513 . 1 1 126 126 LEU N N 15 121.747 0.109 . 1 . . . . 126 Leu N . 16919 1 514 . 1 1 127 127 ASP H H 1 8.586 0.005 . 1 . . . . 127 Asp H . 16919 1 515 . 1 1 127 127 ASP C C 13 175.957 0.015 . 1 . . . . 127 Asp C . 16919 1 516 . 1 1 127 127 ASP CA C 13 52.198 0.020 . 1 . . . . 127 Asp CA . 16919 1 517 . 1 1 127 127 ASP CB C 13 40.881 0.000 . 1 . . . . 127 Asp CB . 16919 1 518 . 1 1 127 127 ASP N N 15 122.627 0.016 . 1 . . . . 127 Asp N . 16919 1 519 . 1 1 128 128 ARG H H 1 8.510 0.005 . 1 . . . . 128 Arg H . 16919 1 520 . 1 1 128 128 ARG C C 13 177.598 0.011 . 1 . . . . 128 Arg C . 16919 1 521 . 1 1 128 128 ARG CA C 13 60.236 0.032 . 1 . . . . 128 Arg CA . 16919 1 522 . 1 1 128 128 ARG CB C 13 28.879 0.045 . 1 . . . . 128 Arg CB . 16919 1 523 . 1 1 128 128 ARG N N 15 119.636 0.033 . 1 . . . . 128 Arg N . 16919 1 524 . 1 1 129 129 SER H H 1 8.149 0.005 . 1 . . . . 129 Ser H . 16919 1 525 . 1 1 129 129 SER C C 13 177.775 0.045 . 1 . . . . 129 Ser C . 16919 1 526 . 1 1 129 129 SER CA C 13 61.063 0.043 . 1 . . . . 129 Ser CA . 16919 1 527 . 1 1 129 129 SER CB C 13 62.449 0.057 . 1 . . . . 129 Ser CB . 16919 1 528 . 1 1 129 129 SER N N 15 114.020 0.029 . 1 . . . . 129 Ser N . 16919 1 529 . 1 1 130 130 GLN H H 1 8.346 0.006 . 1 . . . . 130 Gln H . 16919 1 530 . 1 1 130 130 GLN C C 13 179.936 0.009 . 1 . . . . 130 Gln C . 16919 1 531 . 1 1 130 130 GLN CA C 13 58.162 0.016 . 1 . . . . 130 Gln CA . 16919 1 532 . 1 1 130 130 GLN CB C 13 29.066 0.000 . 1 . . . . 130 Gln CB . 16919 1 533 . 1 1 130 130 GLN N N 15 122.545 0.088 . 1 . . . . 130 Gln N . 16919 1 534 . 1 1 131 131 LEU H H 1 8.902 0.006 . 1 . . . . 131 Leu H . 16919 1 535 . 1 1 131 131 LEU C C 13 177.911 0.035 . 1 . . . . 131 Leu C . 16919 1 536 . 1 1 131 131 LEU CA C 13 57.042 0.002 . 1 . . . . 131 Leu CA . 16919 1 537 . 1 1 131 131 LEU CB C 13 40.980 0.000 . 1 . . . . 131 Leu CB . 16919 1 538 . 1 1 131 131 LEU N N 15 122.692 0.056 . 1 . . . . 131 Leu N . 16919 1 539 . 1 1 132 132 ALA H H 1 8.066 0.013 . 1 . . . . 132 Ala H . 16919 1 540 . 1 1 132 132 ALA C C 13 179.747 0.022 . 1 . . . . 132 Ala C . 16919 1 541 . 1 1 132 132 ALA CA C 13 55.000 0.083 . 1 . . . . 132 Ala CA . 16919 1 542 . 1 1 132 132 ALA CB C 13 16.844 0.000 . 1 . . . . 132 Ala CB . 16919 1 543 . 1 1 132 132 ALA N N 15 121.174 0.122 . 1 . . . . 132 Ala N . 16919 1 544 . 1 1 133 133 GLN H H 1 7.320 0.006 . 1 . . . . 133 Gln H . 16919 1 545 . 1 1 133 133 GLN C C 13 178.751 0.008 . 1 . . . . 133 Gln C . 16919 1 546 . 1 1 133 133 GLN CA C 13 57.817 0.047 . 1 . . . . 133 Gln CA . 16919 1 547 . 1 1 133 133 GLN CB C 13 27.334 0.020 . 1 . . . . 133 Gln CB . 16919 1 548 . 1 1 133 133 GLN N N 15 114.712 0.120 . 1 . . . . 133 Gln N . 16919 1 549 . 1 1 134 134 GLU H H 1 7.951 0.008 . 1 . . . . 134 Glu H . 16919 1 550 . 1 1 134 134 GLU C C 13 180.187 0.066 . 1 . . . . 134 Glu C . 16919 1 551 . 1 1 134 134 GLU CA C 13 58.259 0.010 . 1 . . . . 134 Glu CA . 16919 1 552 . 1 1 134 134 GLU CB C 13 28.828 0.000 . 1 . . . . 134 Glu CB . 16919 1 553 . 1 1 134 134 GLU N N 15 119.459 0.089 . 1 . . . . 134 Glu N . 16919 1 554 . 1 1 135 135 ALA H H 1 8.689 0.009 . 1 . . . . 135 Ala H . 16919 1 555 . 1 1 135 135 ALA C C 13 179.225 0.000 . 1 . . . . 135 Ala C . 16919 1 556 . 1 1 135 135 ALA CA C 13 54.401 0.001 . 1 . . . . 135 Ala CA . 16919 1 557 . 1 1 135 135 ALA CB C 13 17.782 0.000 . 1 . . . . 135 Ala CB . 16919 1 558 . 1 1 135 135 ALA N N 15 121.229 0.109 . 1 . . . . 135 Ala N . 16919 1 559 . 1 1 136 136 LYS C C 13 177.876 0.015 . 1 . . . . 136 Lys C . 16919 1 560 . 1 1 136 136 LYS CA C 13 58.928 0.047 . 1 . . . . 136 Lys CA . 16919 1 561 . 1 1 137 137 PHE H H 1 7.376 0.013 . 1 . . . . 137 Phe H . 16919 1 562 . 1 1 137 137 PHE C C 13 177.016 0.037 . 1 . . . . 137 Phe C . 16919 1 563 . 1 1 137 137 PHE CA C 13 60.747 0.024 . 1 . . . . 137 Phe CA . 16919 1 564 . 1 1 137 137 PHE CB C 13 37.888 0.076 . 1 . . . . 137 Phe CB . 16919 1 565 . 1 1 137 137 PHE N N 15 115.761 0.073 . 1 . . . . 137 Phe N . 16919 1 566 . 1 1 138 138 ALA H H 1 7.472 0.010 . 1 . . . . 138 Ala H . 16919 1 567 . 1 1 138 138 ALA C C 13 178.386 0.000 . 1 . . . . 138 Ala C . 16919 1 568 . 1 1 138 138 ALA CA C 13 53.278 0.025 . 1 . . . . 138 Ala CA . 16919 1 569 . 1 1 138 138 ALA CB C 13 18.964 0.000 . 1 . . . . 138 Ala CB . 16919 1 570 . 1 1 138 138 ALA N N 15 119.204 0.058 . 1 . . . . 138 Ala N . 16919 1 571 . 1 1 139 139 SER H H 1 8.301 0.009 . 1 . . . . 139 Ser H . 16919 1 572 . 1 1 139 139 SER CA C 13 58.074 0.036 . 1 . . . . 139 Ser CA . 16919 1 573 . 1 1 139 139 SER CB C 13 65.746 0.000 . 1 . . . . 139 Ser CB . 16919 1 574 . 1 1 139 139 SER N N 15 111.400 0.071 . 1 . . . . 139 Ser N . 16919 1 575 . 1 1 142 142 SER C C 13 176.469 0.000 . 1 . . . . 142 Ser C . 16919 1 576 . 1 1 142 142 SER CA C 13 61.588 0.000 . 1 . . . . 142 Ser CA . 16919 1 577 . 1 1 143 143 SER H H 1 7.578 0.009 . 1 . . . . 143 Ser H . 16919 1 578 . 1 1 143 143 SER C C 13 175.705 0.009 . 1 . . . . 143 Ser C . 16919 1 579 . 1 1 143 143 SER CA C 13 61.302 0.013 . 1 . . . . 143 Ser CA . 16919 1 580 . 1 1 143 143 SER CB C 13 62.633 0.000 . 1 . . . . 143 Ser CB . 16919 1 581 . 1 1 143 143 SER N N 15 117.923 0.101 . 1 . . . . 143 Ser N . 16919 1 582 . 1 1 144 144 ARG H H 1 7.040 0.008 . 1 . . . . 144 Arg H . 16919 1 583 . 1 1 144 144 ARG C C 13 179.182 0.005 . 1 . . . . 144 Arg C . 16919 1 584 . 1 1 144 144 ARG CA C 13 58.716 0.012 . 1 . . . . 144 Arg CA . 16919 1 585 . 1 1 144 144 ARG CB C 13 28.446 0.000 . 1 . . . . 144 Arg CB . 16919 1 586 . 1 1 144 144 ARG N N 15 117.738 0.072 . 1 . . . . 144 Arg N . 16919 1 587 . 1 1 145 145 SER H H 1 7.768 0.006 . 1 . . . . 145 Ser H . 16919 1 588 . 1 1 145 145 SER C C 13 173.383 0.000 . 1 . . . . 145 Ser C . 16919 1 589 . 1 1 145 145 SER CA C 13 60.326 0.047 . 1 . . . . 145 Ser CA . 16919 1 590 . 1 1 145 145 SER CB C 13 63.500 0.000 . 1 . . . . 145 Ser CB . 16919 1 591 . 1 1 145 145 SER N N 15 114.113 0.042 . 1 . . . . 145 Ser N . 16919 1 592 . 1 1 146 146 PHE H H 1 7.484 0.006 . 1 . . . . 146 Phe H . 16919 1 593 . 1 1 146 146 PHE C C 13 174.242 0.000 . 1 . . . . 146 Phe C . 16919 1 594 . 1 1 146 146 PHE CA C 13 60.368 0.014 . 1 . . . . 146 Phe CA . 16919 1 595 . 1 1 146 146 PHE CB C 13 37.907 0.024 . 1 . . . . 146 Phe CB . 16919 1 596 . 1 1 146 146 PHE N N 15 117.679 0.021 . 1 . . . . 146 Phe N . 16919 1 597 . 1 1 147 147 TYR H H 1 7.292 0.008 . 1 . . . . 147 Tyr H . 16919 1 598 . 1 1 147 147 TYR C C 13 173.319 0.016 . 1 . . . . 147 Tyr C . 16919 1 599 . 1 1 147 147 TYR CA C 13 56.993 0.030 . 1 . . . . 147 Tyr CA . 16919 1 600 . 1 1 147 147 TYR CB C 13 41.315 0.012 . 1 . . . . 147 Tyr CB . 16919 1 601 . 1 1 147 147 TYR N N 15 117.192 0.042 . 1 . . . . 147 Tyr N . 16919 1 602 . 1 1 148 148 GLY H H 1 8.470 0.007 . 1 . . . . 148 Gly H . 16919 1 603 . 1 1 148 148 GLY C C 13 173.648 0.000 . 1 . . . . 148 Gly C . 16919 1 604 . 1 1 148 148 GLY CA C 13 45.007 0.010 . 1 . . . . 148 Gly CA . 16919 1 605 . 1 1 148 148 GLY N N 15 108.315 0.048 . 1 . . . . 148 Gly N . 16919 1 606 . 1 1 149 149 PRO C C 13 175.296 0.001 . 1 . . . . 149 Pro C . 16919 1 607 . 1 1 149 149 PRO CA C 13 64.751 0.004 . 1 . . . . 149 Pro CA . 16919 1 608 . 1 1 149 149 PRO CB C 13 34.343 0.000 . 1 . . . . 149 Pro CB . 16919 1 609 . 1 1 150 150 LEU H H 1 8.355 0.005 . 1 . . . . 150 Leu H . 16919 1 610 . 1 1 150 150 LEU C C 13 176.514 0.027 . 1 . . . . 150 Leu C . 16919 1 611 . 1 1 150 150 LEU CA C 13 54.569 0.033 . 1 . . . . 150 Leu CA . 16919 1 612 . 1 1 150 150 LEU CB C 13 45.697 0.079 . 1 . . . . 150 Leu CB . 16919 1 613 . 1 1 150 150 LEU N N 15 120.327 0.037 . 1 . . . . 150 Leu N . 16919 1 614 . 1 1 151 151 GLY H H 1 8.575 0.008 . 1 . . . . 151 Gly H . 16919 1 615 . 1 1 151 151 GLY C C 13 170.989 0.018 . 1 . . . . 151 Gly C . 16919 1 616 . 1 1 151 151 GLY CA C 13 43.021 0.031 . 1 . . . . 151 Gly CA . 16919 1 617 . 1 1 151 151 GLY N N 15 111.336 0.058 . 1 . . . . 151 Gly N . 16919 1 618 . 1 1 152 152 ALA H H 1 8.698 0.004 . 1 . . . . 152 Ala H . 16919 1 619 . 1 1 152 152 ALA C C 13 174.149 0.011 . 1 . . . . 152 Ala C . 16919 1 620 . 1 1 152 152 ALA CA C 13 49.977 0.004 . 1 . . . . 152 Ala CA . 16919 1 621 . 1 1 152 152 ALA CB C 13 22.665 0.000 . 1 . . . . 152 Ala CB . 16919 1 622 . 1 1 152 152 ALA N N 15 123.011 0.029 . 1 . . . . 152 Ala N . 16919 1 623 . 1 1 153 153 TRP H H 1 8.697 0.007 . 1 . . . . 153 Trp H . 16919 1 624 . 1 1 153 153 TRP C C 13 174.293 0.033 . 1 . . . . 153 Trp C . 16919 1 625 . 1 1 153 153 TRP CA C 13 52.551 0.032 . 1 . . . . 153 Trp CA . 16919 1 626 . 1 1 153 153 TRP CB C 13 31.725 0.000 . 1 . . . . 153 Trp CB . 16919 1 627 . 1 1 153 153 TRP N N 15 120.969 0.024 . 1 . . . . 153 Trp N . 16919 1 628 . 1 1 154 154 ASP H H 1 9.032 0.004 . 1 . . . . 154 Asp H . 16919 1 629 . 1 1 154 154 ASP C C 13 176.802 0.006 . 1 . . . . 154 Asp C . 16919 1 630 . 1 1 154 154 ASP CA C 13 53.435 0.026 . 1 . . . . 154 Asp CA . 16919 1 631 . 1 1 154 154 ASP CB C 13 44.264 0.000 . 1 . . . . 154 Asp CB . 16919 1 632 . 1 1 154 154 ASP N N 15 126.646 0.042 . 1 . . . . 154 Asp N . 16919 1 633 . 1 1 155 155 LYS H H 1 9.250 0.009 . 1 . . . . 155 Lys H . 16919 1 634 . 1 1 155 155 LYS C C 13 176.454 0.000 . 1 . . . . 155 Lys C . 16919 1 635 . 1 1 155 155 LYS CA C 13 57.609 0.031 . 1 . . . . 155 Lys CA . 16919 1 636 . 1 1 155 155 LYS CB C 13 30.666 0.000 . 1 . . . . 155 Lys CB . 16919 1 637 . 1 1 155 155 LYS N N 15 127.429 0.038 . 1 . . . . 155 Lys N . 16919 1 638 . 1 1 156 156 ASP H H 1 8.048 0.005 . 1 . . . . 156 Asp H . 16919 1 639 . 1 1 156 156 ASP C C 13 177.222 0.048 . 1 . . . . 156 Asp C . 16919 1 640 . 1 1 156 156 ASP CA C 13 56.510 0.000 . 1 . . . . 156 Asp CA . 16919 1 641 . 1 1 156 156 ASP CB C 13 41.057 0.000 . 1 . . . . 156 Asp CB . 16919 1 642 . 1 1 156 156 ASP N N 15 122.409 0.081 . 1 . . . . 156 Asp N . 16919 1 643 . 1 1 157 157 SER H H 1 9.066 0.009 . 1 . . . . 157 Ser H . 16919 1 644 . 1 1 157 157 SER C C 13 177.127 0.046 . 1 . . . . 157 Ser C . 16919 1 645 . 1 1 157 157 SER CA C 13 57.926 0.014 . 1 . . . . 157 Ser CA . 16919 1 646 . 1 1 157 157 SER CB C 13 64.028 0.017 . 1 . . . . 157 Ser CB . 16919 1 647 . 1 1 157 157 SER N N 15 115.491 0.057 . 1 . . . . 157 Ser N . 16919 1 648 . 1 1 158 158 GLY H H 1 8.027 0.005 . 1 . . . . 158 Gly H . 16919 1 649 . 1 1 158 158 GLY C C 13 174.239 0.009 . 1 . . . . 158 Gly C . 16919 1 650 . 1 1 158 158 GLY CA C 13 46.201 0.016 . 1 . . . . 158 Gly CA . 16919 1 651 . 1 1 158 158 GLY N N 15 113.683 0.029 . 1 . . . . 158 Gly N . 16919 1 652 . 1 1 159 159 GLU H H 1 8.153 0.008 . 1 . . . . 159 Glu H . 16919 1 653 . 1 1 159 159 GLU C C 13 174.887 0.015 . 1 . . . . 159 Glu C . 16919 1 654 . 1 1 159 159 GLU CA C 13 57.166 0.025 . 1 . . . . 159 Glu CA . 16919 1 655 . 1 1 159 159 GLU CB C 13 30.810 0.000 . 1 . . . . 159 Glu CB . 16919 1 656 . 1 1 159 159 GLU N N 15 120.944 0.046 . 1 . . . . 159 Glu N . 16919 1 657 . 1 1 160 160 ILE H H 1 7.789 0.006 . 1 . . . . 160 Ile H . 16919 1 658 . 1 1 160 160 ILE C C 13 176.535 0.043 . 1 . . . . 160 Ile C . 16919 1 659 . 1 1 160 160 ILE CA C 13 57.734 0.044 . 1 . . . . 160 Ile CA . 16919 1 660 . 1 1 160 160 ILE CB C 13 36.306 0.000 . 1 . . . . 160 Ile CB . 16919 1 661 . 1 1 160 160 ILE N N 15 123.901 0.026 . 1 . . . . 160 Ile N . 16919 1 662 . 1 1 161 161 TYR H H 1 8.775 0.008 . 1 . . . . 161 Tyr H . 16919 1 663 . 1 1 161 161 TYR C C 13 170.729 0.000 . 1 . . . . 161 Tyr C . 16919 1 664 . 1 1 161 161 TYR CA C 13 54.430 0.036 . 1 . . . . 161 Tyr CA . 16919 1 665 . 1 1 161 161 TYR CB C 13 37.841 0.000 . 1 . . . . 161 Tyr CB . 16919 1 666 . 1 1 161 161 TYR N N 15 125.320 0.080 . 1 . . . . 161 Tyr N . 16919 1 667 . 1 1 162 162 PRO C C 13 176.044 0.007 . 1 . . . . 162 Pro C . 16919 1 668 . 1 1 162 162 PRO CA C 13 61.102 0.044 . 1 . . . . 162 Pro CA . 16919 1 669 . 1 1 162 162 PRO CB C 13 31.352 0.000 . 1 . . . . 162 Pro CB . 16919 1 670 . 1 1 163 163 VAL H H 1 6.790 0.009 . 1 . . . . 163 Val H . 16919 1 671 . 1 1 163 163 VAL C C 13 175.312 0.022 . 1 . . . . 163 Val C . 16919 1 672 . 1 1 163 163 VAL CA C 13 60.547 0.027 . 1 . . . . 163 Val CA . 16919 1 673 . 1 1 163 163 VAL CB C 13 32.723 0.000 . 1 . . . . 163 Val CB . 16919 1 674 . 1 1 163 163 VAL N N 15 119.817 0.030 . 1 . . . . 163 Val N . 16919 1 675 . 1 1 164 164 GLU H H 1 8.428 0.006 . 1 . . . . 164 Glu H . 16919 1 676 . 1 1 164 164 GLU C C 13 175.310 0.012 . 1 . . . . 164 Glu C . 16919 1 677 . 1 1 164 164 GLU CA C 13 56.460 0.030 . 1 . . . . 164 Glu CA . 16919 1 678 . 1 1 164 164 GLU CB C 13 30.507 0.000 . 1 . . . . 164 Glu CB . 16919 1 679 . 1 1 164 164 GLU N N 15 127.197 0.032 . 1 . . . . 164 Glu N . 16919 1 680 . 1 1 165 165 THR H H 1 7.690 0.007 . 1 . . . . 165 Thr H . 16919 1 681 . 1 1 165 165 THR C C 13 172.554 0.027 . 1 . . . . 165 Thr C . 16919 1 682 . 1 1 165 165 THR CA C 13 61.408 0.017 . 1 . . . . 165 Thr CA . 16919 1 683 . 1 1 165 165 THR CB C 13 68.584 0.039 . 1 . . . . 165 Thr CB . 16919 1 684 . 1 1 165 165 THR N N 15 115.449 0.024 . 1 . . . . 165 Thr N . 16919 1 685 . 1 1 166 166 ASP H H 1 9.348 0.009 . 1 . . . . 166 Asp H . 16919 1 686 . 1 1 166 166 ASP C C 13 177.568 0.030 . 1 . . . . 166 Asp C . 16919 1 687 . 1 1 166 166 ASP CA C 13 54.319 0.053 . 1 . . . . 166 Asp CA . 16919 1 688 . 1 1 166 166 ASP CB C 13 41.402 0.000 . 1 . . . . 166 Asp CB . 16919 1 689 . 1 1 166 166 ASP N N 15 125.619 0.151 . 1 . . . . 166 Asp N . 16919 1 690 . 1 1 167 167 LEU H H 1 8.185 0.010 . 1 . . . . 167 Leu H . 16919 1 691 . 1 1 167 167 LEU C C 13 176.138 0.035 . 1 . . . . 167 Leu C . 16919 1 692 . 1 1 167 167 LEU CA C 13 55.159 0.042 . 1 . . . . 167 Leu CA . 16919 1 693 . 1 1 167 167 LEU CB C 13 42.687 0.009 . 1 . . . . 167 Leu CB . 16919 1 694 . 1 1 167 167 LEU N N 15 123.462 0.076 . 1 . . . . 167 Leu N . 16919 1 695 . 1 1 168 168 LYS H H 1 8.634 0.013 . 1 . . . . 168 Lys H . 16919 1 696 . 1 1 168 168 LYS C C 13 176.748 0.017 . 1 . . . . 168 Lys C . 16919 1 697 . 1 1 168 168 LYS CA C 13 54.207 0.029 . 1 . . . . 168 Lys CA . 16919 1 698 . 1 1 168 168 LYS CB C 13 31.054 0.000 . 1 . . . . 168 Lys CB . 16919 1 699 . 1 1 168 168 LYS N N 15 122.410 0.080 . 1 . . . . 168 Lys N . 16919 1 700 . 1 1 169 169 LEU H H 1 9.165 0.006 . 1 . . . . 169 Leu H . 16919 1 701 . 1 1 169 169 LEU C C 13 175.181 0.020 . 1 . . . . 169 Leu C . 16919 1 702 . 1 1 169 169 LEU CA C 13 54.059 0.038 . 1 . . . . 169 Leu CA . 16919 1 703 . 1 1 169 169 LEU CB C 13 44.137 0.000 . 1 . . . . 169 Leu CB . 16919 1 704 . 1 1 169 169 LEU N N 15 126.983 0.030 . 1 . . . . 169 Leu N . 16919 1 705 . 1 1 170 170 ALA H H 1 9.024 0.005 . 1 . . . . 170 Ala H . 16919 1 706 . 1 1 170 170 ALA C C 13 173.716 0.033 . 1 . . . . 170 Ala C . 16919 1 707 . 1 1 170 170 ALA CA C 13 51.353 0.028 . 1 . . . . 170 Ala CA . 16919 1 708 . 1 1 170 170 ALA CB C 13 23.393 0.000 . 1 . . . . 170 Ala CB . 16919 1 709 . 1 1 170 170 ALA N N 15 122.311 0.031 . 1 . . . . 170 Ala N . 16919 1 710 . 1 1 171 171 MET H H 1 8.568 0.006 . 1 . . . . 171 Met H . 16919 1 711 . 1 1 171 171 MET C C 13 174.040 0.086 . 1 . . . . 171 Met C . 16919 1 712 . 1 1 171 171 MET CA C 13 53.718 0.018 . 1 . . . . 171 Met CA . 16919 1 713 . 1 1 171 171 MET CB C 13 37.174 0.000 . 1 . . . . 171 Met CB . 16919 1 714 . 1 1 171 171 MET N N 15 116.463 0.035 . 1 . . . . 171 Met N . 16919 1 715 . 1 1 172 172 ILE H H 1 9.318 0.005 . 1 . . . . 172 Ile H . 16919 1 716 . 1 1 172 172 ILE C C 13 175.035 0.000 . 1 . . . . 172 Ile C . 16919 1 717 . 1 1 172 172 ILE CA C 13 60.046 0.032 . 1 . . . . 172 Ile CA . 16919 1 718 . 1 1 172 172 ILE CB C 13 39.876 0.000 . 1 . . . . 172 Ile CB . 16919 1 719 . 1 1 172 172 ILE N N 15 124.124 0.046 . 1 . . . . 172 Ile N . 16919 1 720 . 1 1 173 173 ASN H H 1 9.575 0.003 . 1 . . . . 173 Asn H . 16919 1 721 . 1 1 173 173 ASN C C 13 173.739 0.025 . 1 . . . . 173 Asn C . 16919 1 722 . 1 1 173 173 ASN CA C 13 55.445 0.001 . 1 . . . . 173 Asn CA . 16919 1 723 . 1 1 173 173 ASN CB C 13 32.605 0.000 . 1 . . . . 173 Asn CB . 16919 1 724 . 1 1 173 173 ASN N N 15 128.004 0.076 . 1 . . . . 173 Asn N . 16919 1 725 . 1 1 174 174 LEU H H 1 8.435 0.006 . 1 . . . . 174 Leu H . 16919 1 726 . 1 1 174 174 LEU C C 13 175.996 0.068 . 1 . . . . 174 Leu C . 16919 1 727 . 1 1 174 174 LEU CA C 13 53.081 0.017 . 1 . . . . 174 Leu CA . 16919 1 728 . 1 1 174 174 LEU CB C 13 39.132 0.000 . 1 . . . . 174 Leu CB . 16919 1 729 . 1 1 174 174 LEU N N 15 124.640 0.165 . 1 . . . . 174 Leu N . 16919 1 730 . 1 1 175 175 VAL H H 1 8.438 0.004 . 1 . . . . 175 Val H . 16919 1 731 . 1 1 175 175 VAL C C 13 175.521 0.034 . 1 . . . . 175 Val C . 16919 1 732 . 1 1 175 175 VAL CA C 13 62.475 0.035 . 1 . . . . 175 Val CA . 16919 1 733 . 1 1 175 175 VAL CB C 13 29.452 0.000 . 1 . . . . 175 Val CB . 16919 1 734 . 1 1 175 175 VAL N N 15 125.022 0.030 . 1 . . . . 175 Val N . 16919 1 735 . 1 1 176 176 LEU H H 1 8.176 0.005 . 1 . . . . 176 Leu H . 16919 1 736 . 1 1 176 176 LEU C C 13 177.147 0.004 . 1 . . . . 176 Leu C . 16919 1 737 . 1 1 176 176 LEU CA C 13 54.275 0.032 . 1 . . . . 176 Leu CA . 16919 1 738 . 1 1 176 176 LEU CB C 13 41.018 0.076 . 1 . . . . 176 Leu CB . 16919 1 739 . 1 1 176 176 LEU N N 15 129.979 0.059 . 1 . . . . 176 Leu N . 16919 1 740 . 1 1 177 177 GLU H H 1 8.242 0.006 . 1 . . . . 177 Glu H . 16919 1 741 . 1 1 177 177 GLU C C 13 175.493 0.015 . 1 . . . . 177 Glu C . 16919 1 742 . 1 1 177 177 GLU CA C 13 56.067 0.021 . 1 . . . . 177 Glu CA . 16919 1 743 . 1 1 177 177 GLU CB C 13 31.046 0.000 . 1 . . . . 177 Glu CB . 16919 1 744 . 1 1 177 177 GLU N N 15 120.153 0.050 . 1 . . . . 177 Glu N . 16919 1 745 . 1 1 182 182 PRO C C 13 176.764 0.002 . 1 . . . . 182 Pro C . 16919 1 746 . 1 1 182 182 PRO CA C 13 62.765 0.000 . 1 . . . . 182 Pro CA . 16919 1 747 . 1 1 182 182 PRO CB C 13 31.750 0.000 . 1 . . . . 182 Pro CB . 16919 1 748 . 1 1 183 183 ILE H H 1 8.047 0.007 . 1 . . . . 183 Ile H . 16919 1 749 . 1 1 183 183 ILE C C 13 176.809 0.001 . 1 . . . . 183 Ile C . 16919 1 750 . 1 1 183 183 ILE CA C 13 61.061 0.005 . 1 . . . . 183 Ile CA . 16919 1 751 . 1 1 183 183 ILE CB C 13 38.239 0.000 . 1 . . . . 183 Ile CB . 16919 1 752 . 1 1 183 183 ILE N N 15 121.009 0.032 . 1 . . . . 183 Ile N . 16919 1 753 . 1 1 187 187 ASP C C 13 179.218 0.032 . 1 . . . . 187 Asp C . 16919 1 754 . 1 1 187 187 ASP CA C 13 56.260 0.073 . 1 . . . . 187 Asp CA . 16919 1 755 . 1 1 188 188 GLY H H 1 8.983 0.014 . 1 . . . . 188 Gly H . 16919 1 756 . 1 1 188 188 GLY C C 13 175.706 0.000 . 1 . . . . 188 Gly C . 16919 1 757 . 1 1 188 188 GLY CA C 13 47.101 0.012 . 1 . . . . 188 Gly CA . 16919 1 758 . 1 1 188 188 GLY N N 15 111.958 0.070 . 1 . . . . 188 Gly N . 16919 1 759 . 1 1 189 189 MET H H 1 8.399 0.012 . 1 . . . . 189 Met H . 16919 1 760 . 1 1 189 189 MET C C 13 177.174 0.009 . 1 . . . . 189 Met C . 16919 1 761 . 1 1 189 189 MET CA C 13 59.474 0.026 . 1 . . . . 189 Met CA . 16919 1 762 . 1 1 189 189 MET CB C 13 32.006 0.000 . 1 . . . . 189 Met CB . 16919 1 763 . 1 1 189 189 MET N N 15 122.312 0.189 . 1 . . . . 189 Met N . 16919 1 764 . 1 1 190 190 LYS H H 1 7.065 0.009 . 1 . . . . 190 Lys H . 16919 1 765 . 1 1 190 190 LYS C C 13 177.797 0.065 . 1 . . . . 190 Lys C . 16919 1 766 . 1 1 190 190 LYS CA C 13 59.192 0.059 . 1 . . . . 190 Lys CA . 16919 1 767 . 1 1 190 190 LYS CB C 13 32.008 0.034 . 1 . . . . 190 Lys CB . 16919 1 768 . 1 1 190 190 LYS N N 15 122.523 0.097 . 1 . . . . 190 Lys N . 16919 1 769 . 1 1 191 191 LEU H H 1 7.616 0.006 . 1 . . . . 191 Leu H . 16919 1 770 . 1 1 191 191 LEU C C 13 181.786 0.000 . 1 . . . . 191 Leu C . 16919 1 771 . 1 1 191 191 LEU CA C 13 57.375 0.000 . 1 . . . . 191 Leu CA . 16919 1 772 . 1 1 191 191 LEU CB C 13 41.179 0.000 . 1 . . . . 191 Leu CB . 16919 1 773 . 1 1 191 191 LEU N N 15 119.263 0.070 . 1 . . . . 191 Leu N . 16919 1 774 . 1 1 192 192 CYS H H 1 7.997 0.010 . 1 . . . . 192 Cys H . 16919 1 775 . 1 1 192 192 CYS C C 13 176.326 0.000 . 1 . . . . 192 Cys C . 16919 1 776 . 1 1 192 192 CYS CA C 13 63.866 0.000 . 1 . . . . 192 Cys CA . 16919 1 777 . 1 1 192 192 CYS CB C 13 26.224 0.000 . 1 . . . . 192 Cys CB . 16919 1 778 . 1 1 192 192 CYS N N 15 119.860 0.052 . 1 . . . . 192 Cys N . 16919 1 779 . 1 1 193 193 VAL H H 1 7.999 0.009 . 1 . . . . 193 Val H . 16919 1 780 . 1 1 193 193 VAL C C 13 179.018 0.000 . 1 . . . . 193 Val C . 16919 1 781 . 1 1 193 193 VAL CA C 13 65.629 0.000 . 1 . . . . 193 Val CA . 16919 1 782 . 1 1 193 193 VAL CB C 13 30.547 0.000 . 1 . . . . 193 Val CB . 16919 1 783 . 1 1 193 193 VAL N N 15 122.313 0.105 . 1 . . . . 193 Val N . 16919 1 784 . 1 1 194 194 GLU H H 1 7.902 0.007 . 1 . . . . 194 Glu H . 16919 1 785 . 1 1 194 194 GLU C C 13 179.162 0.003 . 1 . . . . 194 Glu C . 16919 1 786 . 1 1 194 194 GLU CA C 13 58.488 0.036 . 1 . . . . 194 Glu CA . 16919 1 787 . 1 1 194 194 GLU CB C 13 30.452 0.000 . 1 . . . . 194 Glu CB . 16919 1 788 . 1 1 194 194 GLU N N 15 115.014 0.046 . 1 . . . . 194 Glu N . 16919 1 789 . 1 1 195 195 THR H H 1 7.959 0.004 . 1 . . . . 195 Thr H . 16919 1 790 . 1 1 195 195 THR C C 13 175.976 0.018 . 1 . . . . 195 Thr C . 16919 1 791 . 1 1 195 195 THR CA C 13 62.104 0.045 . 1 . . . . 195 Thr CA . 16919 1 792 . 1 1 195 195 THR CB C 13 72.787 0.000 . 1 . . . . 195 Thr CB . 16919 1 793 . 1 1 195 195 THR N N 15 105.714 0.210 . 1 . . . . 195 Thr N . 16919 1 794 . 1 1 196 196 SER H H 1 8.924 0.008 . 1 . . . . 196 Ser H . 16919 1 795 . 1 1 196 196 SER C C 13 179.473 0.013 . 1 . . . . 196 Ser C . 16919 1 796 . 1 1 196 196 SER CA C 13 59.258 0.043 . 1 . . . . 196 Ser CA . 16919 1 797 . 1 1 196 196 SER CB C 13 62.069 0.000 . 1 . . . . 196 Ser CB . 16919 1 798 . 1 1 196 196 SER N N 15 118.174 0.094 . 1 . . . . 196 Ser N . 16919 1 799 . 1 1 197 197 THR H H 1 8.177 0.010 . 1 . . . . 197 Thr H . 16919 1 800 . 1 1 197 197 THR C C 13 176.159 0.094 . 1 . . . . 197 Thr C . 16919 1 801 . 1 1 197 197 THR CA C 13 63.765 0.042 . 1 . . . . 197 Thr CA . 16919 1 802 . 1 1 197 197 THR CB C 13 68.207 0.000 . 1 . . . . 197 Thr CB . 16919 1 803 . 1 1 197 197 THR N N 15 121.891 0.068 . 1 . . . . 197 Thr N . 16919 1 804 . 1 1 198 198 THR H H 1 7.669 0.008 . 1 . . . . 198 Thr H . 16919 1 805 . 1 1 198 198 THR C C 13 175.510 0.000 . 1 . . . . 198 Thr C . 16919 1 806 . 1 1 198 198 THR CA C 13 60.610 0.047 . 1 . . . . 198 Thr CA . 16919 1 807 . 1 1 198 198 THR CB C 13 69.136 0.000 . 1 . . . . 198 Thr CB . 16919 1 808 . 1 1 198 198 THR N N 15 110.308 0.000 . 1 . . . . 198 Thr N . 16919 1 809 . 1 1 199 199 PHE H H 1 7.513 0.011 . 1 . . . . 199 Phe H . 16919 1 810 . 1 1 199 199 PHE C C 13 176.843 0.047 . 1 . . . . 199 Phe C . 16919 1 811 . 1 1 199 199 PHE CA C 13 63.646 0.021 . 1 . . . . 199 Phe CA . 16919 1 812 . 1 1 199 199 PHE CB C 13 39.521 0.000 . 1 . . . . 199 Phe CB . 16919 1 813 . 1 1 199 199 PHE N N 15 126.328 0.069 . 1 . . . . 199 Phe N . 16919 1 814 . 1 1 200 200 ASP H H 1 8.818 0.007 . 1 . . . . 200 Asp H . 16919 1 815 . 1 1 200 200 ASP C C 13 179.146 0.034 . 1 . . . . 200 Asp C . 16919 1 816 . 1 1 200 200 ASP CA C 13 57.561 0.008 . 1 . . . . 200 Asp CA . 16919 1 817 . 1 1 200 200 ASP CB C 13 39.606 0.000 . 1 . . . . 200 Asp CB . 16919 1 818 . 1 1 200 200 ASP N N 15 118.042 0.069 . 1 . . . . 200 Asp N . 16919 1 819 . 1 1 201 201 ASP H H 1 7.794 0.005 . 1 . . . . 201 Asp H . 16919 1 820 . 1 1 201 201 ASP C C 13 178.452 0.038 . 1 . . . . 201 Asp C . 16919 1 821 . 1 1 201 201 ASP CA C 13 57.254 0.022 . 1 . . . . 201 Asp CA . 16919 1 822 . 1 1 201 201 ASP CB C 13 40.265 0.000 . 1 . . . . 201 Asp CB . 16919 1 823 . 1 1 201 201 ASP N N 15 121.131 0.091 . 1 . . . . 201 Asp N . 16919 1 824 . 1 1 202 202 TRP H H 1 7.874 0.005 . 1 . . . . 202 Trp H . 16919 1 825 . 1 1 202 202 TRP HE1 H 1 9.876 0.007 . 1 . . . . 202 Trp HE1 . 16919 1 826 . 1 1 202 202 TRP C C 13 178.541 0.029 . 1 . . . . 202 Trp C . 16919 1 827 . 1 1 202 202 TRP CA C 13 58.992 0.008 . 1 . . . . 202 Trp CA . 16919 1 828 . 1 1 202 202 TRP CB C 13 28.273 0.000 . 1 . . . . 202 Trp CB . 16919 1 829 . 1 1 202 202 TRP N N 15 124.252 0.048 . 1 . . . . 202 Trp N . 16919 1 830 . 1 1 202 202 TRP NE1 N 15 127.596 0.120 . 1 . . . . 202 Trp NE1 . 16919 1 831 . 1 1 203 203 VAL H H 1 8.141 0.007 . 1 . . . . 203 Val H . 16919 1 832 . 1 1 203 203 VAL C C 13 179.173 0.029 . 1 . . . . 203 Val C . 16919 1 833 . 1 1 203 203 VAL CA C 13 66.645 0.027 . 1 . . . . 203 Val CA . 16919 1 834 . 1 1 203 203 VAL CB C 13 30.934 0.000 . 1 . . . . 203 Val CB . 16919 1 835 . 1 1 203 203 VAL N N 15 123.125 0.029 . 1 . . . . 203 Val N . 16919 1 836 . 1 1 204 204 ARG H H 1 7.773 0.011 . 1 . . . . 204 Arg H . 16919 1 837 . 1 1 204 204 ARG C C 13 179.884 0.010 . 1 . . . . 204 Arg C . 16919 1 838 . 1 1 204 204 ARG CA C 13 59.148 0.025 . 1 . . . . 204 Arg CA . 16919 1 839 . 1 1 204 204 ARG CB C 13 29.666 0.000 . 1 . . . . 204 Arg CB . 16919 1 840 . 1 1 204 204 ARG N N 15 120.521 0.045 . 1 . . . . 204 Arg N . 16919 1 841 . 1 1 205 205 GLN H H 1 8.650 0.006 . 1 . . . . 205 Gln H . 16919 1 842 . 1 1 205 205 GLN C C 13 178.624 0.052 . 1 . . . . 205 Gln C . 16919 1 843 . 1 1 205 205 GLN CA C 13 58.014 0.091 . 1 . . . . 205 Gln CA . 16919 1 844 . 1 1 205 205 GLN CB C 13 27.502 0.012 . 1 . . . . 205 Gln CB . 16919 1 845 . 1 1 205 205 GLN N N 15 120.963 0.113 . 1 . . . . 205 Gln N . 16919 1 846 . 1 1 206 206 SER H H 1 8.095 0.008 . 1 . . . . 206 Ser H . 16919 1 847 . 1 1 206 206 SER C C 13 174.917 0.067 . 1 . . . . 206 Ser C . 16919 1 848 . 1 1 206 206 SER CA C 13 63.221 0.005 . 1 . . . . 206 Ser CA . 16919 1 849 . 1 1 206 206 SER CB C 13 61.447 0.000 . 1 . . . . 206 Ser CB . 16919 1 850 . 1 1 206 206 SER N N 15 115.987 0.059 . 1 . . . . 206 Ser N . 16919 1 851 . 1 1 207 207 GLU H H 1 6.974 0.008 . 1 . . . . 207 Glu H . 16919 1 852 . 1 1 207 207 GLU C C 13 178.762 0.011 . 1 . . . . 207 Glu C . 16919 1 853 . 1 1 207 207 GLU CA C 13 59.682 0.032 . 1 . . . . 207 Glu CA . 16919 1 854 . 1 1 207 207 GLU CB C 13 28.860 0.000 . 1 . . . . 207 Glu CB . 16919 1 855 . 1 1 207 207 GLU N N 15 118.871 0.083 . 1 . . . . 207 Glu N . 16919 1 856 . 1 1 208 208 LYS H H 1 6.771 0.010 . 1 . . . . 208 Lys H . 16919 1 857 . 1 1 208 208 LYS C C 13 177.962 0.003 . 1 . . . . 208 Lys C . 16919 1 858 . 1 1 208 208 LYS CA C 13 58.184 0.038 . 1 . . . . 208 Lys CA . 16919 1 859 . 1 1 208 208 LYS CB C 13 31.265 0.000 . 1 . . . . 208 Lys CB . 16919 1 860 . 1 1 208 208 LYS N N 15 119.739 0.074 . 1 . . . . 208 Lys N . 16919 1 861 . 1 1 209 209 ASP H H 1 8.459 0.010 . 1 . . . . 209 Asp H . 16919 1 862 . 1 1 209 209 ASP C C 13 177.756 0.004 . 1 . . . . 209 Asp C . 16919 1 863 . 1 1 209 209 ASP CA C 13 57.452 0.045 . 1 . . . . 209 Asp CA . 16919 1 864 . 1 1 209 209 ASP CB C 13 39.977 0.045 . 1 . . . . 209 Asp CB . 16919 1 865 . 1 1 209 209 ASP N N 15 120.923 0.073 . 1 . . . . 209 Asp N . 16919 1 866 . 1 1 210 210 TYR H H 1 8.471 0.011 . 1 . . . . 210 Tyr H . 16919 1 867 . 1 1 210 210 TYR C C 13 175.714 0.026 . 1 . . . . 210 Tyr C . 16919 1 868 . 1 1 210 210 TYR CA C 13 60.572 0.058 . 1 . . . . 210 Tyr CA . 16919 1 869 . 1 1 210 210 TYR CB C 13 37.888 0.000 . 1 . . . . 210 Tyr CB . 16919 1 870 . 1 1 210 210 TYR N N 15 119.319 0.068 . 1 . . . . 210 Tyr N . 16919 1 871 . 1 1 211 211 GLN H H 1 7.131 0.009 . 1 . . . . 211 Gln H . 16919 1 872 . 1 1 211 211 GLN C C 13 179.848 0.022 . 1 . . . . 211 Gln C . 16919 1 873 . 1 1 211 211 GLN CA C 13 58.042 0.014 . 1 . . . . 211 Gln CA . 16919 1 874 . 1 1 211 211 GLN CB C 13 27.287 0.000 . 1 . . . . 211 Gln CB . 16919 1 875 . 1 1 211 211 GLN N N 15 115.005 0.083 . 1 . . . . 211 Gln N . 16919 1 876 . 1 1 212 212 ASP H H 1 8.681 0.009 . 1 . . . . 212 Asp H . 16919 1 877 . 1 1 212 212 ASP C C 13 176.958 0.015 . 1 . . . . 212 Asp C . 16919 1 878 . 1 1 212 212 ASP CA C 13 56.522 0.063 . 1 . . . . 212 Asp CA . 16919 1 879 . 1 1 212 212 ASP CB C 13 39.405 0.000 . 1 . . . . 212 Asp CB . 16919 1 880 . 1 1 212 212 ASP N N 15 120.539 0.102 . 1 . . . . 212 Asp N . 16919 1 881 . 1 1 213 213 MET H H 1 8.417 0.008 . 1 . . . . 213 Met H . 16919 1 882 . 1 1 213 213 MET C C 13 178.215 0.046 . 1 . . . . 213 Met C . 16919 1 883 . 1 1 213 213 MET CA C 13 57.096 0.030 . 1 . . . . 213 Met CA . 16919 1 884 . 1 1 213 213 MET CB C 13 29.653 0.000 . 1 . . . . 213 Met CB . 16919 1 885 . 1 1 213 213 MET N N 15 119.287 0.082 . 1 . . . . 213 Met N . 16919 1 886 . 1 1 214 214 LEU H H 1 7.342 0.009 . 1 . . . . 214 Leu H . 16919 1 887 . 1 1 214 214 LEU C C 13 180.685 0.024 . 1 . . . . 214 Leu C . 16919 1 888 . 1 1 214 214 LEU CA C 13 58.143 0.002 . 1 . . . . 214 Leu CA . 16919 1 889 . 1 1 214 214 LEU CB C 13 40.929 0.000 . 1 . . . . 214 Leu CB . 16919 1 890 . 1 1 214 214 LEU N N 15 117.516 0.090 . 1 . . . . 214 Leu N . 16919 1 891 . 1 1 215 215 ILE H H 1 6.921 0.010 . 1 . . . . 215 Ile H . 16919 1 892 . 1 1 215 215 ILE C C 13 178.328 0.069 . 1 . . . . 215 Ile C . 16919 1 893 . 1 1 215 215 ILE CA C 13 63.888 0.046 . 1 . . . . 215 Ile CA . 16919 1 894 . 1 1 215 215 ILE CB C 13 36.285 0.000 . 1 . . . . 215 Ile CB . 16919 1 895 . 1 1 215 215 ILE N N 15 120.660 0.099 . 1 . . . . 215 Ile N . 16919 1 896 . 1 1 216 216 TYR H H 1 8.366 0.006 . 1 . . . . 216 Tyr H . 16919 1 897 . 1 1 216 216 TYR C C 13 179.343 0.017 . 1 . . . . 216 Tyr C . 16919 1 898 . 1 1 216 216 TYR CA C 13 58.368 0.065 . 1 . . . . 216 Tyr CA . 16919 1 899 . 1 1 216 216 TYR CB C 13 37.140 0.000 . 1 . . . . 216 Tyr CB . 16919 1 900 . 1 1 216 216 TYR N N 15 120.612 0.092 . 1 . . . . 216 Tyr N . 16919 1 901 . 1 1 217 217 LEU H H 1 8.607 0.007 . 1 . . . . 217 Leu H . 16919 1 902 . 1 1 217 217 LEU C C 13 179.811 0.015 . 1 . . . . 217 Leu C . 16919 1 903 . 1 1 217 217 LEU CA C 13 58.250 0.020 . 1 . . . . 217 Leu CA . 16919 1 904 . 1 1 217 217 LEU CB C 13 40.955 0.000 . 1 . . . . 217 Leu CB . 16919 1 905 . 1 1 217 217 LEU N N 15 118.850 0.034 . 1 . . . . 217 Leu N . 16919 1 906 . 1 1 218 218 LYS H H 1 7.286 0.006 . 1 . . . . 218 Lys H . 16919 1 907 . 1 1 218 218 LYS C C 13 178.788 0.014 . 1 . . . . 218 Lys C . 16919 1 908 . 1 1 218 218 LYS CA C 13 58.521 0.034 . 1 . . . . 218 Lys CA . 16919 1 909 . 1 1 218 218 LYS CB C 13 31.199 0.000 . 1 . . . . 218 Lys CB . 16919 1 910 . 1 1 218 218 LYS N N 15 121.970 0.009 . 1 . . . . 218 Lys N . 16919 1 911 . 1 1 219 219 GLU H H 1 8.121 0.009 . 1 . . . . 219 Glu H . 16919 1 912 . 1 1 219 219 GLU C C 13 175.896 0.039 . 1 . . . . 219 Glu C . 16919 1 913 . 1 1 219 219 GLU CA C 13 55.868 0.003 . 1 . . . . 219 Glu CA . 16919 1 914 . 1 1 219 219 GLU CB C 13 29.023 0.000 . 1 . . . . 219 Glu CB . 16919 1 915 . 1 1 219 219 GLU N N 15 115.522 0.053 . 1 . . . . 219 Glu N . 16919 1 916 . 1 1 220 220 ASN H H 1 7.900 0.006 . 1 . . . . 220 Asn H . 16919 1 917 . 1 1 220 220 ASN C C 13 174.364 0.002 . 1 . . . . 220 Asn C . 16919 1 918 . 1 1 220 220 ASN CA C 13 54.572 0.079 . 1 . . . . 220 Asn CA . 16919 1 919 . 1 1 220 220 ASN CB C 13 36.910 0.000 . 1 . . . . 220 Asn CB . 16919 1 920 . 1 1 220 220 ASN N N 15 116.185 0.017 . 1 . . . . 220 Asn N . 16919 1 921 . 1 1 221 221 ASP H H 1 7.926 0.005 . 1 . . . . 221 Asp H . 16919 1 922 . 1 1 221 221 ASP C C 13 175.142 0.006 . 1 . . . . 221 Asp C . 16919 1 923 . 1 1 221 221 ASP CA C 13 52.225 0.032 . 1 . . . . 221 Asp CA . 16919 1 924 . 1 1 221 221 ASP CB C 13 39.876 0.000 . 1 . . . . 221 Asp CB . 16919 1 925 . 1 1 221 221 ASP N N 15 118.876 0.015 . 1 . . . . 221 Asp N . 16919 1 926 . 1 1 222 222 PHE H H 1 8.419 0.008 . 1 . . . . 222 Phe H . 16919 1 927 . 1 1 222 222 PHE C C 13 175.488 0.052 . 1 . . . . 222 Phe C . 16919 1 928 . 1 1 222 222 PHE CA C 13 61.350 0.021 . 1 . . . . 222 Phe CA . 16919 1 929 . 1 1 222 222 PHE CB C 13 38.298 0.049 . 1 . . . . 222 Phe CB . 16919 1 930 . 1 1 222 222 PHE N N 15 123.894 0.064 . 1 . . . . 222 Phe N . 16919 1 931 . 1 1 223 223 ALA H H 1 8.159 0.007 . 1 . . . . 223 Ala H . 16919 1 932 . 1 1 223 223 ALA C C 13 179.897 0.032 . 1 . . . . 223 Ala C . 16919 1 933 . 1 1 223 223 ALA CA C 13 54.398 0.038 . 1 . . . . 223 Ala CA . 16919 1 934 . 1 1 223 223 ALA CB C 13 17.244 0.045 . 1 . . . . 223 Ala CB . 16919 1 935 . 1 1 223 223 ALA N N 15 120.024 0.146 . 1 . . . . 223 Ala N . 16919 1 936 . 1 1 224 224 LYS H H 1 6.947 0.011 . 1 . . . . 224 Lys H . 16919 1 937 . 1 1 224 224 LYS C C 13 180.172 0.041 . 1 . . . . 224 Lys C . 16919 1 938 . 1 1 224 224 LYS CA C 13 58.589 0.024 . 1 . . . . 224 Lys CA . 16919 1 939 . 1 1 224 224 LYS CB C 13 29.809 0.000 . 1 . . . . 224 Lys CB . 16919 1 940 . 1 1 224 224 LYS N N 15 115.950 0.068 . 1 . . . . 224 Lys N . 16919 1 941 . 1 1 225 225 ILE H H 1 7.698 0.009 . 1 . . . . 225 Ile H . 16919 1 942 . 1 1 225 225 ILE C C 13 179.799 0.006 . 1 . . . . 225 Ile C . 16919 1 943 . 1 1 225 225 ILE CA C 13 64.409 0.012 . 1 . . . . 225 Ile CA . 16919 1 944 . 1 1 225 225 ILE CB C 13 38.171 0.000 . 1 . . . . 225 Ile CB . 16919 1 945 . 1 1 225 225 ILE N N 15 119.828 0.080 . 1 . . . . 225 Ile N . 16919 1 946 . 1 1 226 226 GLY H H 1 8.403 0.007 . 1 . . . . 226 Gly H . 16919 1 947 . 1 1 226 226 GLY C C 13 175.333 0.002 . 1 . . . . 226 Gly C . 16919 1 948 . 1 1 226 226 GLY CA C 13 45.870 0.059 . 1 . . . . 226 Gly CA . 16919 1 949 . 1 1 226 226 GLY N N 15 112.653 0.063 . 1 . . . . 226 Gly N . 16919 1 950 . 1 1 227 227 GLU H H 1 7.556 0.008 . 1 . . . . 227 Glu H . 16919 1 951 . 1 1 227 227 GLU C C 13 180.219 0.000 . 1 . . . . 227 Glu C . 16919 1 952 . 1 1 227 227 GLU CA C 13 58.800 0.000 . 1 . . . . 227 Glu CA . 16919 1 953 . 1 1 227 227 GLU CB C 13 28.760 0.000 . 1 . . . . 227 Glu CB . 16919 1 954 . 1 1 227 227 GLU N N 15 121.004 0.027 . 1 . . . . 227 Glu N . 16919 1 955 . 1 1 228 228 LEU H H 1 7.549 0.009 . 1 . . . . 228 Leu H . 16919 1 956 . 1 1 228 228 LEU C C 13 177.670 0.055 . 1 . . . . 228 Leu C . 16919 1 957 . 1 1 228 228 LEU CA C 13 56.911 0.007 . 1 . . . . 228 Leu CA . 16919 1 958 . 1 1 228 228 LEU CB C 13 41.180 0.000 . 1 . . . . 228 Leu CB . 16919 1 959 . 1 1 228 228 LEU N N 15 121.204 0.141 . 1 . . . . 228 Leu N . 16919 1 960 . 1 1 229 229 THR H H 1 8.093 0.010 . 1 . . . . 229 Thr H . 16919 1 961 . 1 1 229 229 THR C C 13 178.547 0.005 . 1 . . . . 229 Thr C . 16919 1 962 . 1 1 229 229 THR CA C 13 67.710 0.000 . 1 . . . . 229 Thr CA . 16919 1 963 . 1 1 229 229 THR N N 15 120.117 0.076 . 1 . . . . 229 Thr N . 16919 1 964 . 1 1 230 230 GLU H H 1 7.630 0.010 . 1 . . . . 230 Glu H . 16919 1 965 . 1 1 230 230 GLU C C 13 178.409 0.050 . 1 . . . . 230 Glu C . 16919 1 966 . 1 1 230 230 GLU CA C 13 59.963 0.048 . 1 . . . . 230 Glu CA . 16919 1 967 . 1 1 230 230 GLU CB C 13 28.787 0.000 . 1 . . . . 230 Glu CB . 16919 1 968 . 1 1 230 230 GLU N N 15 122.848 0.051 . 1 . . . . 230 Glu N . 16919 1 969 . 1 1 231 231 LYS H H 1 7.867 0.004 . 1 . . . . 231 Lys H . 16919 1 970 . 1 1 231 231 LYS C C 13 180.695 0.011 . 1 . . . . 231 Lys C . 16919 1 971 . 1 1 231 231 LYS CA C 13 59.709 0.058 . 1 . . . . 231 Lys CA . 16919 1 972 . 1 1 231 231 LYS CB C 13 32.357 0.072 . 1 . . . . 231 Lys CB . 16919 1 973 . 1 1 231 231 LYS N N 15 118.908 0.038 . 1 . . . . 231 Lys N . 16919 1 974 . 1 1 232 232 ASN H H 1 9.236 0.006 . 1 . . . . 232 Asn H . 16919 1 975 . 1 1 232 232 ASN C C 13 176.761 0.026 . 1 . . . . 232 Asn C . 16919 1 976 . 1 1 232 232 ASN CA C 13 58.601 0.015 . 1 . . . . 232 Asn CA . 16919 1 977 . 1 1 232 232 ASN CB C 13 41.293 0.000 . 1 . . . . 232 Asn CB . 16919 1 978 . 1 1 232 232 ASN N N 15 121.415 0.120 . 1 . . . . 232 Asn N . 16919 1 979 . 1 1 233 233 ALA H H 1 7.953 0.013 . 1 . . . . 233 Ala H . 16919 1 980 . 1 1 233 233 ALA C C 13 180.765 0.041 . 1 . . . . 233 Ala C . 16919 1 981 . 1 1 233 233 ALA CA C 13 55.548 0.062 . 1 . . . . 233 Ala CA . 16919 1 982 . 1 1 233 233 ALA CB C 13 18.087 0.000 . 1 . . . . 233 Ala CB . 16919 1 983 . 1 1 233 233 ALA N N 15 119.843 0.080 . 1 . . . . 233 Ala N . 16919 1 984 . 1 1 234 234 LEU H H 1 8.668 0.008 . 1 . . . . 234 Leu H . 16919 1 985 . 1 1 234 234 LEU C C 13 180.314 0.005 . 1 . . . . 234 Leu C . 16919 1 986 . 1 1 234 234 LEU CA C 13 57.920 0.061 . 1 . . . . 234 Leu CA . 16919 1 987 . 1 1 234 234 LEU CB C 13 40.681 0.000 . 1 . . . . 234 Leu CB . 16919 1 988 . 1 1 234 234 LEU N N 15 117.643 0.101 . 1 . . . . 234 Leu N . 16919 1 989 . 1 1 235 235 ALA H H 1 8.218 0.008 . 1 . . . . 235 Ala H . 16919 1 990 . 1 1 235 235 ALA C C 13 179.530 0.029 . 1 . . . . 235 Ala C . 16919 1 991 . 1 1 235 235 ALA CA C 13 54.515 0.007 . 1 . . . . 235 Ala CA . 16919 1 992 . 1 1 235 235 ALA CB C 13 17.348 0.000 . 1 . . . . 235 Ala CB . 16919 1 993 . 1 1 235 235 ALA N N 15 123.723 0.055 . 1 . . . . 235 Ala N . 16919 1 994 . 1 1 236 236 MET H H 1 7.920 0.004 . 1 . . . . 236 Met H . 16919 1 995 . 1 1 236 236 MET C C 13 179.208 0.027 . 1 . . . . 236 Met C . 16919 1 996 . 1 1 236 236 MET CA C 13 58.425 0.006 . 1 . . . . 236 Met CA . 16919 1 997 . 1 1 236 236 MET CB C 13 32.467 0.000 . 1 . . . . 236 Met CB . 16919 1 998 . 1 1 236 236 MET N N 15 123.134 0.066 . 1 . . . . 236 Met N . 16919 1 999 . 1 1 237 237 HIS H H 1 7.663 0.006 . 1 . . . . 237 His H . 16919 1 1000 . 1 1 237 237 HIS C C 13 177.314 0.025 . 1 . . . . 237 His C . 16919 1 1001 . 1 1 237 237 HIS CA C 13 60.669 0.021 . 1 . . . . 237 His CA . 16919 1 1002 . 1 1 237 237 HIS CB C 13 30.329 0.000 . 1 . . . . 237 His CB . 16919 1 1003 . 1 1 237 237 HIS N N 15 118.712 0.077 . 1 . . . . 237 His N . 16919 1 1004 . 1 1 238 238 ALA H H 1 7.976 0.009 . 1 . . . . 238 Ala H . 16919 1 1005 . 1 1 238 238 ALA C C 13 180.873 0.005 . 1 . . . . 238 Ala C . 16919 1 1006 . 1 1 238 238 ALA CA C 13 54.512 0.013 . 1 . . . . 238 Ala CA . 16919 1 1007 . 1 1 238 238 ALA CB C 13 17.257 0.000 . 1 . . . . 238 Ala CB . 16919 1 1008 . 1 1 238 238 ALA N N 15 123.044 0.075 . 1 . . . . 238 Ala N . 16919 1 1009 . 1 1 239 239 THR H H 1 7.119 0.015 . 1 . . . . 239 Thr H . 16919 1 1010 . 1 1 239 239 THR C C 13 177.271 0.030 . 1 . . . . 239 Thr C . 16919 1 1011 . 1 1 239 239 THR CA C 13 64.535 0.005 . 1 . . . . 239 Thr CA . 16919 1 1012 . 1 1 239 239 THR CB C 13 70.271 0.040 . 1 . . . . 239 Thr CB . 16919 1 1013 . 1 1 239 239 THR N N 15 106.641 0.054 . 1 . . . . 239 Thr N . 16919 1 1014 . 1 1 240 240 THR H H 1 7.249 0.014 . 1 . . . . 240 Thr H . 16919 1 1015 . 1 1 240 240 THR C C 13 177.143 0.034 . 1 . . . . 240 Thr C . 16919 1 1016 . 1 1 240 240 THR CA C 13 64.433 0.000 . 1 . . . . 240 Thr CA . 16919 1 1017 . 1 1 240 240 THR CB C 13 65.086 0.000 . 1 . . . . 240 Thr CB . 16919 1 1018 . 1 1 240 240 THR N N 15 114.499 0.106 . 1 . . . . 240 Thr N . 16919 1 1019 . 1 1 241 241 LYS H H 1 6.662 0.007 . 1 . . . . 241 Lys H . 16919 1 1020 . 1 1 241 241 LYS C C 13 177.141 0.005 . 1 . . . . 241 Lys C . 16919 1 1021 . 1 1 241 241 LYS CA C 13 57.404 0.001 . 1 . . . . 241 Lys CA . 16919 1 1022 . 1 1 241 241 LYS CB C 13 32.053 0.000 . 1 . . . . 241 Lys CB . 16919 1 1023 . 1 1 241 241 LYS N N 15 121.440 0.086 . 1 . . . . 241 Lys N . 16919 1 1024 . 1 1 242 242 THR H H 1 7.188 0.005 . 1 . . . . 242 Thr H . 16919 1 1025 . 1 1 242 242 THR C C 13 175.184 0.000 . 1 . . . . 242 Thr C . 16919 1 1026 . 1 1 242 242 THR CA C 13 60.173 0.000 . 1 . . . . 242 Thr CA . 16919 1 1027 . 1 1 242 242 THR CB C 13 67.914 0.000 . 1 . . . . 242 Thr CB . 16919 1 1028 . 1 1 242 242 THR N N 15 105.513 0.087 . 1 . . . . 242 Thr N . 16919 1 1029 . 1 1 243 243 ALA H H 1 6.877 0.007 . 1 . . . . 243 Ala H . 16919 1 1030 . 1 1 243 243 ALA C C 13 174.686 0.026 . 1 . . . . 243 Ala C . 16919 1 1031 . 1 1 243 243 ALA CA C 13 51.761 0.043 . 1 . . . . 243 Ala CA . 16919 1 1032 . 1 1 243 243 ALA CB C 13 19.332 0.029 . 1 . . . . 243 Ala CB . 16919 1 1033 . 1 1 243 243 ALA N N 15 126.433 0.090 . 1 . . . . 243 Ala N . 16919 1 1034 . 1 1 244 244 SER H H 1 8.039 0.005 . 1 . . . . 244 Ser H . 16919 1 1035 . 1 1 244 244 SER C C 13 172.204 0.000 . 1 . . . . 244 Ser C . 16919 1 1036 . 1 1 244 244 SER CA C 13 54.074 0.000 . 1 . . . . 244 Ser CA . 16919 1 1037 . 1 1 244 244 SER CB C 13 64.601 0.000 . 1 . . . . 244 Ser CB . 16919 1 1038 . 1 1 244 244 SER N N 15 110.376 0.059 . 1 . . . . 244 Ser N . 16919 1 1039 . 1 1 245 245 PRO C C 13 175.338 0.000 . 1 . . . . 245 Pro C . 16919 1 1040 . 1 1 245 245 PRO CA C 13 62.611 0.030 . 1 . . . . 245 Pro CA . 16919 1 1041 . 1 1 245 245 PRO CB C 13 33.154 0.000 . 1 . . . . 245 Pro CB . 16919 1 1042 . 1 1 246 246 ALA H H 1 8.146 0.005 . 1 . . . . 246 Ala H . 16919 1 1043 . 1 1 246 246 ALA C C 13 178.008 0.023 . 1 . . . . 246 Ala C . 16919 1 1044 . 1 1 246 246 ALA CA C 13 52.487 0.028 . 1 . . . . 246 Ala CA . 16919 1 1045 . 1 1 246 246 ALA CB C 13 19.308 0.000 . 1 . . . . 246 Ala CB . 16919 1 1046 . 1 1 246 246 ALA N N 15 125.120 0.046 . 1 . . . . 246 Ala N . 16919 1 1047 . 1 1 247 247 PHE H H 1 7.863 0.008 . 1 . . . . 247 Phe H . 16919 1 1048 . 1 1 247 247 PHE C C 13 173.084 0.000 . 1 . . . . 247 Phe C . 16919 1 1049 . 1 1 247 247 PHE CA C 13 55.424 0.020 . 1 . . . . 247 Phe CA . 16919 1 1050 . 1 1 247 247 PHE CB C 13 40.521 0.000 . 1 . . . . 247 Phe CB . 16919 1 1051 . 1 1 247 247 PHE N N 15 117.509 0.051 . 1 . . . . 247 Phe N . 16919 1 1052 . 1 1 248 248 SER C C 13 175.388 0.016 . 1 . . . . 248 Ser C . 16919 1 1053 . 1 1 248 248 SER CA C 13 55.918 0.000 . 1 . . . . 248 Ser CA . 16919 1 1054 . 1 1 249 249 TYR H H 1 10.248 0.006 . 1 . . . . 249 Tyr H . 16919 1 1055 . 1 1 249 249 TYR C C 13 175.915 0.000 . 1 . . . . 249 Tyr C . 16919 1 1056 . 1 1 249 249 TYR CA C 13 59.733 0.040 . 1 . . . . 249 Tyr CA . 16919 1 1057 . 1 1 249 249 TYR CB C 13 39.550 0.000 . 1 . . . . 249 Tyr CB . 16919 1 1058 . 1 1 249 249 TYR N N 15 128.018 0.092 . 1 . . . . 249 Tyr N . 16919 1 1059 . 1 1 250 250 LEU H H 1 7.681 0.008 . 1 . . . . 250 Leu H . 16919 1 1060 . 1 1 250 250 LEU C C 13 177.422 0.048 . 1 . . . . 250 Leu C . 16919 1 1061 . 1 1 250 250 LEU CA C 13 53.870 0.027 . 1 . . . . 250 Leu CA . 16919 1 1062 . 1 1 250 250 LEU CB C 13 40.642 0.064 . 1 . . . . 250 Leu CB . 16919 1 1063 . 1 1 250 250 LEU N N 15 116.893 0.075 . 1 . . . . 250 Leu N . 16919 1 1064 . 1 1 251 251 THR H H 1 8.062 0.007 . 1 . . . . 251 Thr H . 16919 1 1065 . 1 1 251 251 THR C C 13 175.361 0.000 . 1 . . . . 251 Thr C . 16919 1 1066 . 1 1 251 251 THR CA C 13 58.911 0.016 . 1 . . . . 251 Thr CA . 16919 1 1067 . 1 1 251 251 THR CB C 13 71.809 0.000 . 1 . . . . 251 Thr CB . 16919 1 1068 . 1 1 251 251 THR N N 15 112.605 0.055 . 1 . . . . 251 Thr N . 16919 1 1069 . 1 1 254 254 SER C C 13 176.027 0.000 . 1 . . . . 254 Ser C . 16919 1 1070 . 1 1 254 254 SER CA C 13 61.577 0.044 . 1 . . . . 254 Ser CA . 16919 1 1071 . 1 1 255 255 TYR H H 1 7.591 0.006 . 1 . . . . 255 Tyr H . 16919 1 1072 . 1 1 255 255 TYR C C 13 178.776 0.018 . 1 . . . . 255 Tyr C . 16919 1 1073 . 1 1 255 255 TYR CA C 13 61.502 0.022 . 1 . . . . 255 Tyr CA . 16919 1 1074 . 1 1 255 255 TYR CB C 13 36.952 0.000 . 1 . . . . 255 Tyr CB . 16919 1 1075 . 1 1 255 255 TYR N N 15 119.495 0.040 . 1 . . . . 255 Tyr N . 16919 1 1076 . 1 1 256 256 GLU H H 1 8.080 0.007 . 1 . . . . 256 Glu H . 16919 1 1077 . 1 1 256 256 GLU C C 13 179.145 0.078 . 1 . . . . 256 Glu C . 16919 1 1078 . 1 1 256 256 GLU CA C 13 59.511 0.029 . 1 . . . . 256 Glu CA . 16919 1 1079 . 1 1 256 256 GLU CB C 13 28.569 0.000 . 1 . . . . 256 Glu CB . 16919 1 1080 . 1 1 256 256 GLU N N 15 122.096 0.065 . 1 . . . . 256 Glu N . 16919 1 1081 . 1 1 257 257 ALA H H 1 7.820 0.008 . 1 . . . . 257 Ala H . 16919 1 1082 . 1 1 257 257 ALA C C 13 179.831 0.083 . 1 . . . . 257 Ala C . 16919 1 1083 . 1 1 257 257 ALA CA C 13 54.795 0.032 . 1 . . . . 257 Ala CA . 16919 1 1084 . 1 1 257 257 ALA CB C 13 17.414 0.000 . 1 . . . . 257 Ala CB . 16919 1 1085 . 1 1 257 257 ALA N N 15 123.646 0.054 . 1 . . . . 257 Ala N . 16919 1 1086 . 1 1 258 258 MET H H 1 8.156 0.004 . 1 . . . . 258 Met H . 16919 1 1087 . 1 1 258 258 MET C C 13 178.390 0.006 . 1 . . . . 258 Met C . 16919 1 1088 . 1 1 258 258 MET CA C 13 59.733 0.009 . 1 . . . . 258 Met CA . 16919 1 1089 . 1 1 258 258 MET CB C 13 34.510 0.000 . 1 . . . . 258 Met CB . 16919 1 1090 . 1 1 258 258 MET N N 15 118.051 0.069 . 1 . . . . 258 Met N . 16919 1 1091 . 1 1 259 259 ASP H H 1 7.993 0.007 . 1 . . . . 259 Asp H . 16919 1 1092 . 1 1 259 259 ASP C C 13 178.572 0.052 . 1 . . . . 259 Asp C . 16919 1 1093 . 1 1 259 259 ASP CA C 13 57.104 0.025 . 1 . . . . 259 Asp CA . 16919 1 1094 . 1 1 259 259 ASP CB C 13 40.141 0.000 . 1 . . . . 259 Asp CB . 16919 1 1095 . 1 1 259 259 ASP N N 15 118.315 0.064 . 1 . . . . 259 Asp N . 16919 1 1096 . 1 1 260 260 PHE H H 1 8.270 0.009 . 1 . . . . 260 Phe H . 16919 1 1097 . 1 1 260 260 PHE C C 13 177.643 0.030 . 1 . . . . 260 Phe C . 16919 1 1098 . 1 1 260 260 PHE CA C 13 60.956 0.015 . 1 . . . . 260 Phe CA . 16919 1 1099 . 1 1 260 260 PHE CB C 13 38.838 0.000 . 1 . . . . 260 Phe CB . 16919 1 1100 . 1 1 260 260 PHE N N 15 123.628 0.031 . 1 . . . . 260 Phe N . 16919 1 1101 . 1 1 261 261 VAL H H 1 8.310 0.007 . 1 . . . . 261 Val H . 16919 1 1102 . 1 1 261 261 VAL C C 13 177.830 0.018 . 1 . . . . 261 Val C . 16919 1 1103 . 1 1 261 261 VAL CA C 13 67.119 0.033 . 1 . . . . 261 Val CA . 16919 1 1104 . 1 1 261 261 VAL CB C 13 30.987 0.000 . 1 . . . . 261 Val CB . 16919 1 1105 . 1 1 261 261 VAL N N 15 119.587 0.087 . 1 . . . . 261 Val N . 16919 1 1106 . 1 1 262 262 ARG H H 1 7.940 0.006 . 1 . . . . 262 Arg H . 16919 1 1107 . 1 1 262 262 ARG C C 13 180.137 0.027 . 1 . . . . 262 Arg C . 16919 1 1108 . 1 1 262 262 ARG CA C 13 60.407 0.012 . 1 . . . . 262 Arg CA . 16919 1 1109 . 1 1 262 262 ARG CB C 13 29.494 0.000 . 1 . . . . 262 Arg CB . 16919 1 1110 . 1 1 262 262 ARG N N 15 117.339 0.083 . 1 . . . . 262 Arg N . 16919 1 1111 . 1 1 263 263 GLN H H 1 8.637 0.004 . 1 . . . . 263 Gln H . 16919 1 1112 . 1 1 263 263 GLN C C 13 179.738 0.045 . 1 . . . . 263 Gln C . 16919 1 1113 . 1 1 263 263 GLN CA C 13 58.527 0.011 . 1 . . . . 263 Gln CA . 16919 1 1114 . 1 1 263 263 GLN CB C 13 27.489 0.000 . 1 . . . . 263 Gln CB . 16919 1 1115 . 1 1 263 263 GLN N N 15 121.492 0.112 . 1 . . . . 263 Gln N . 16919 1 1116 . 1 1 264 264 LEU H H 1 8.020 0.008 . 1 . . . . 264 Leu H . 16919 1 1117 . 1 1 264 264 LEU C C 13 180.581 0.053 . 1 . . . . 264 Leu C . 16919 1 1118 . 1 1 264 264 LEU CA C 13 57.105 0.022 . 1 . . . . 264 Leu CA . 16919 1 1119 . 1 1 264 264 LEU CB C 13 40.151 0.000 . 1 . . . . 264 Leu CB . 16919 1 1120 . 1 1 264 264 LEU N N 15 121.682 0.075 . 1 . . . . 264 Leu N . 16919 1 1121 . 1 1 265 265 ARG H H 1 7.753 0.003 . 1 . . . . 265 Arg H . 16919 1 1122 . 1 1 265 265 ARG C C 13 181.740 0.045 . 1 . . . . 265 Arg C . 16919 1 1123 . 1 1 265 265 ARG CA C 13 59.276 0.059 . 1 . . . . 265 Arg CA . 16919 1 1124 . 1 1 265 265 ARG CB C 13 29.669 0.000 . 1 . . . . 265 Arg CB . 16919 1 1125 . 1 1 265 265 ARG N N 15 120.339 0.060 . 1 . . . . 265 Arg N . 16919 1 1126 . 1 1 266 266 GLU H H 1 7.855 0.006 . 1 . . . . 266 Glu H . 16919 1 1127 . 1 1 266 266 GLU C C 13 178.460 0.032 . 1 . . . . 266 Glu C . 16919 1 1128 . 1 1 266 266 GLU CA C 13 58.602 0.029 . 1 . . . . 266 Glu CA . 16919 1 1129 . 1 1 266 266 GLU CB C 13 28.439 0.045 . 1 . . . . 266 Glu CB . 16919 1 1130 . 1 1 266 266 GLU N N 15 122.056 0.049 . 1 . . . . 266 Glu N . 16919 1 1131 . 1 1 267 267 LYS H H 1 7.296 0.008 . 1 . . . . 267 Lys H . 16919 1 1132 . 1 1 267 267 LYS C C 13 176.955 0.000 . 1 . . . . 267 Lys C . 16919 1 1133 . 1 1 267 267 LYS CA C 13 55.767 0.000 . 1 . . . . 267 Lys CA . 16919 1 1134 . 1 1 267 267 LYS CB C 13 31.581 0.000 . 1 . . . . 267 Lys CB . 16919 1 1135 . 1 1 267 267 LYS N N 15 117.330 0.059 . 1 . . . . 267 Lys N . 16919 1 1136 . 1 1 268 268 GLY H H 1 7.781 0.006 . 1 . . . . 268 Gly H . 16919 1 1137 . 1 1 268 268 GLY C C 13 175.233 0.001 . 1 . . . . 268 Gly C . 16919 1 1138 . 1 1 268 268 GLY CA C 13 44.878 0.015 . 1 . . . . 268 Gly CA . 16919 1 1139 . 1 1 268 268 GLY N N 15 107.358 0.029 . 1 . . . . 268 Gly N . 16919 1 1140 . 1 1 269 269 GLU H H 1 7.878 0.006 . 1 . . . . 269 Glu H . 16919 1 1141 . 1 1 269 269 GLU C C 13 175.868 0.020 . 1 . . . . 269 Glu C . 16919 1 1142 . 1 1 269 269 GLU CA C 13 54.397 0.033 . 1 . . . . 269 Glu CA . 16919 1 1143 . 1 1 269 269 GLU CB C 13 28.912 0.016 . 1 . . . . 269 Glu CB . 16919 1 1144 . 1 1 269 269 GLU N N 15 119.547 0.038 . 1 . . . . 269 Glu N . 16919 1 1145 . 1 1 270 270 ALA H H 1 9.637 0.006 . 1 . . . . 270 Ala H . 16919 1 1146 . 1 1 270 270 ALA C C 13 174.490 0.018 . 1 . . . . 270 Ala C . 16919 1 1147 . 1 1 270 270 ALA CA C 13 50.112 0.021 . 1 . . . . 270 Ala CA . 16919 1 1148 . 1 1 270 270 ALA CB C 13 18.340 0.079 . 1 . . . . 270 Ala CB . 16919 1 1149 . 1 1 270 270 ALA N N 15 127.603 0.068 . 1 . . . . 270 Ala N . 16919 1 1150 . 1 1 271 271 CYS H H 1 6.355 0.007 . 1 . . . . 271 Cys H . 16919 1 1151 . 1 1 271 271 CYS C C 13 171.189 0.013 . 1 . . . . 271 Cys C . 16919 1 1152 . 1 1 271 271 CYS CA C 13 53.032 0.011 . 1 . . . . 271 Cys CA . 16919 1 1153 . 1 1 271 271 CYS CB C 13 29.606 0.027 . 1 . . . . 271 Cys CB . 16919 1 1154 . 1 1 271 271 CYS N N 15 114.177 0.094 . 1 . . . . 271 Cys N . 16919 1 1155 . 1 1 272 272 TYR H H 1 8.298 0.006 . 1 . . . . 272 Tyr H . 16919 1 1156 . 1 1 272 272 TYR C C 13 174.147 0.042 . 1 . . . . 272 Tyr C . 16919 1 1157 . 1 1 272 272 TYR CA C 13 56.694 0.023 . 1 . . . . 272 Tyr CA . 16919 1 1158 . 1 1 272 272 TYR CB C 13 42.506 0.060 . 1 . . . . 272 Tyr CB . 16919 1 1159 . 1 1 272 272 TYR N N 15 120.129 0.074 . 1 . . . . 272 Tyr N . 16919 1 1160 . 1 1 273 273 PHE H H 1 9.714 0.004 . 1 . . . . 273 Phe H . 16919 1 1161 . 1 1 273 273 PHE C C 13 173.449 0.009 . 1 . . . . 273 Phe C . 16919 1 1162 . 1 1 273 273 PHE CA C 13 55.542 0.026 . 1 . . . . 273 Phe CA . 16919 1 1163 . 1 1 273 273 PHE CB C 13 42.499 0.024 . 1 . . . . 273 Phe CB . 16919 1 1164 . 1 1 273 273 PHE N N 15 121.292 0.044 . 1 . . . . 273 Phe N . 16919 1 1165 . 1 1 274 274 THR H H 1 8.833 0.004 . 1 . . . . 274 Thr H . 16919 1 1166 . 1 1 274 274 THR C C 13 172.428 0.034 . 1 . . . . 274 Thr C . 16919 1 1167 . 1 1 274 274 THR CA C 13 61.711 0.024 . 1 . . . . 274 Thr CA . 16919 1 1168 . 1 1 274 274 THR CB C 13 69.006 0.000 . 1 . . . . 274 Thr CB . 16919 1 1169 . 1 1 274 274 THR N N 15 108.015 0.074 . 1 . . . . 274 Thr N . 16919 1 1170 . 1 1 275 275 MET H H 1 7.298 0.006 . 1 . . . . 275 Met H . 16919 1 1171 . 1 1 275 275 MET C C 13 175.348 0.000 . 1 . . . . 275 Met C . 16919 1 1172 . 1 1 275 275 MET CA C 13 55.818 0.000 . 1 . . . . 275 Met CA . 16919 1 1173 . 1 1 275 275 MET CB C 13 33.102 0.000 . 1 . . . . 275 Met CB . 16919 1 1174 . 1 1 275 275 MET N N 15 118.885 0.080 . 1 . . . . 275 Met N . 16919 1 1175 . 1 1 277 277 ALA C C 13 175.610 0.000 . 1 . . . . 277 Ala C . 16919 1 1176 . 1 1 277 277 ALA CA C 13 50.255 0.038 . 1 . . . . 277 Ala CA . 16919 1 1177 . 1 1 277 277 ALA CB C 13 15.730 0.000 . 1 . . . . 277 Ala CB . 16919 1 1178 . 1 1 278 278 GLY H H 1 7.835 0.008 . 1 . . . . 278 Gly H . 16919 1 1179 . 1 1 278 278 GLY C C 13 171.835 0.000 . 1 . . . . 278 Gly C . 16919 1 1180 . 1 1 278 278 GLY CA C 13 45.189 0.003 . 1 . . . . 278 Gly CA . 16919 1 1181 . 1 1 278 278 GLY N N 15 108.352 0.038 . 1 . . . . 278 Gly N . 16919 1 1182 . 1 1 279 279 PRO C C 13 178.388 0.000 . 1 . . . . 279 Pro C . 16919 1 1183 . 1 1 279 279 PRO CA C 13 63.477 0.000 . 1 . . . . 279 Pro CA . 16919 1 1184 . 1 1 279 279 PRO CB C 13 32.880 0.000 . 1 . . . . 279 Pro CB . 16919 1 1185 . 1 1 280 280 ASN H H 1 8.081 0.006 . 1 . . . . 280 Asn H . 16919 1 1186 . 1 1 280 280 ASN C C 13 175.236 0.009 . 1 . . . . 280 Asn C . 16919 1 1187 . 1 1 280 280 ASN CA C 13 54.791 0.042 . 1 . . . . 280 Asn CA . 16919 1 1188 . 1 1 280 280 ASN CB C 13 37.189 0.000 . 1 . . . . 280 Asn CB . 16919 1 1189 . 1 1 280 280 ASN N N 15 117.262 0.030 . 1 . . . . 280 Asn N . 16919 1 1190 . 1 1 281 281 VAL H H 1 6.478 0.007 . 1 . . . . 281 Val H . 16919 1 1191 . 1 1 281 281 VAL C C 13 173.197 0.016 . 1 . . . . 281 Val C . 16919 1 1192 . 1 1 281 281 VAL CA C 13 62.106 0.032 . 1 . . . . 281 Val CA . 16919 1 1193 . 1 1 281 281 VAL CB C 13 33.874 0.000 . 1 . . . . 281 Val CB . 16919 1 1194 . 1 1 281 281 VAL N N 15 123.691 0.023 . 1 . . . . 281 Val N . 16919 1 1195 . 1 1 282 282 LYS H H 1 8.697 0.006 . 1 . . . . 282 Lys H . 16919 1 1196 . 1 1 282 282 LYS C C 13 173.749 0.007 . 1 . . . . 282 Lys C . 16919 1 1197 . 1 1 282 282 LYS CA C 13 55.570 0.039 . 1 . . . . 282 Lys CA . 16919 1 1198 . 1 1 282 282 LYS CB C 13 31.733 0.000 . 1 . . . . 282 Lys CB . 16919 1 1199 . 1 1 282 282 LYS N N 15 126.831 0.026 . 1 . . . . 282 Lys N . 16919 1 1200 . 1 1 283 283 VAL H H 1 9.241 0.021 . 1 . . . . 283 Val H . 16919 1 1201 . 1 1 283 283 VAL C C 13 174.025 0.042 . 1 . . . . 283 Val C . 16919 1 1202 . 1 1 283 283 VAL CA C 13 59.530 0.021 . 1 . . . . 283 Val CA . 16919 1 1203 . 1 1 283 283 VAL CB C 13 31.772 0.000 . 1 . . . . 283 Val CB . 16919 1 1204 . 1 1 283 283 VAL N N 15 123.190 0.050 . 1 . . . . 283 Val N . 16919 1 1205 . 1 1 284 284 PHE H H 1 9.919 0.007 . 1 . . . . 284 Phe H . 16919 1 1206 . 1 1 284 284 PHE C C 13 174.703 0.094 . 1 . . . . 284 Phe C . 16919 1 1207 . 1 1 284 284 PHE CA C 13 54.478 0.053 . 1 . . . . 284 Phe CA . 16919 1 1208 . 1 1 284 284 PHE CB C 13 40.918 0.000 . 1 . . . . 284 Phe CB . 16919 1 1209 . 1 1 284 284 PHE N N 15 129.863 0.113 . 1 . . . . 284 Phe N . 16919 1 1210 . 1 1 285 285 CYS H H 1 8.671 0.007 . 1 . . . . 285 Cys H . 16919 1 1211 . 1 1 285 285 CYS C C 13 171.674 0.014 . 1 . . . . 285 Cys C . 16919 1 1212 . 1 1 285 285 CYS CA C 13 55.233 0.059 . 1 . . . . 285 Cys CA . 16919 1 1213 . 1 1 285 285 CYS CB C 13 32.173 0.098 . 1 . . . . 285 Cys CB . 16919 1 1214 . 1 1 285 285 CYS N N 15 120.706 0.085 . 1 . . . . 285 Cys N . 16919 1 1215 . 1 1 286 286 GLN H H 1 9.422 0.013 . 1 . . . . 286 Gln H . 16919 1 1216 . 1 1 286 286 GLN C C 13 178.168 0.017 . 1 . . . . 286 Gln C . 16919 1 1217 . 1 1 286 286 GLN CA C 13 55.264 0.045 . 1 . . . . 286 Gln CA . 16919 1 1218 . 1 1 286 286 GLN CB C 13 30.124 0.034 . 1 . . . . 286 Gln CB . 16919 1 1219 . 1 1 286 286 GLN N N 15 117.708 0.088 . 1 . . . . 286 Gln N . 16919 1 1220 . 1 1 287 287 GLU H H 1 8.951 0.006 . 1 . . . . 287 Glu H . 16919 1 1221 . 1 1 287 287 GLU C C 13 178.804 0.015 . 1 . . . . 287 Glu C . 16919 1 1222 . 1 1 287 287 GLU CA C 13 60.185 0.023 . 1 . . . . 287 Glu CA . 16919 1 1223 . 1 1 287 287 GLU CB C 13 29.511 0.000 . 1 . . . . 287 Glu CB . 16919 1 1224 . 1 1 287 287 GLU N N 15 125.725 0.046 . 1 . . . . 287 Glu N . 16919 1 1225 . 1 1 288 288 LYS H H 1 8.691 0.017 . 1 . . . . 288 Lys H . 16919 1 1226 . 1 1 288 288 LYS C C 13 176.540 0.018 . 1 . . . . 288 Lys C . 16919 1 1227 . 1 1 288 288 LYS CA C 13 57.935 0.019 . 1 . . . . 288 Lys CA . 16919 1 1228 . 1 1 288 288 LYS CB C 13 30.155 0.000 . 1 . . . . 288 Lys CB . 16919 1 1229 . 1 1 288 288 LYS N N 15 116.511 0.058 . 1 . . . . 288 Lys N . 16919 1 1230 . 1 1 289 289 ASP H H 1 7.518 0.007 . 1 . . . . 289 Asp H . 16919 1 1231 . 1 1 289 289 ASP C C 13 175.800 0.033 . 1 . . . . 289 Asp C . 16919 1 1232 . 1 1 289 289 ASP CA C 13 54.353 0.052 . 1 . . . . 289 Asp CA . 16919 1 1233 . 1 1 289 289 ASP CB C 13 42.214 0.000 . 1 . . . . 289 Asp CB . 16919 1 1234 . 1 1 289 289 ASP N N 15 119.687 0.073 . 1 . . . . 289 Asp N . 16919 1 1235 . 1 1 290 290 LEU H H 1 7.569 0.013 . 1 . . . . 290 Leu H . 16919 1 1236 . 1 1 290 290 LEU C C 13 179.143 0.026 . 1 . . . . 290 Leu C . 16919 1 1237 . 1 1 290 290 LEU CA C 13 58.673 0.021 . 1 . . . . 290 Leu CA . 16919 1 1238 . 1 1 290 290 LEU CB C 13 42.592 0.000 . 1 . . . . 290 Leu CB . 16919 1 1239 . 1 1 290 290 LEU N N 15 122.639 0.075 . 1 . . . . 290 Leu N . 16919 1 1240 . 1 1 291 291 GLU H H 1 8.931 0.008 . 1 . . . . 291 Glu H . 16919 1 1241 . 1 1 291 291 GLU C C 13 179.272 0.062 . 1 . . . . 291 Glu C . 16919 1 1242 . 1 1 291 291 GLU CA C 13 60.309 0.026 . 1 . . . . 291 Glu CA . 16919 1 1243 . 1 1 291 291 GLU CB C 13 28.364 0.000 . 1 . . . . 291 Glu CB . 16919 1 1244 . 1 1 291 291 GLU N N 15 121.797 0.109 . 1 . . . . 291 Glu N . 16919 1 1245 . 1 1 292 292 HIS H H 1 8.593 0.004 . 1 . . . . 292 His H . 16919 1 1246 . 1 1 292 292 HIS C C 13 178.153 0.017 . 1 . . . . 292 His C . 16919 1 1247 . 1 1 292 292 HIS CA C 13 58.768 0.015 . 1 . . . . 292 His CA . 16919 1 1248 . 1 1 292 292 HIS CB C 13 29.067 0.000 . 1 . . . . 292 His CB . 16919 1 1249 . 1 1 292 292 HIS N N 15 120.456 0.037 . 1 . . . . 292 His N . 16919 1 1250 . 1 1 293 293 LEU H H 1 8.589 0.004 . 1 . . . . 293 Leu H . 16919 1 1251 . 1 1 293 293 LEU C C 13 179.898 0.036 . 1 . . . . 293 Leu C . 16919 1 1252 . 1 1 293 293 LEU CA C 13 57.090 0.037 . 1 . . . . 293 Leu CA . 16919 1 1253 . 1 1 293 293 LEU CB C 13 40.975 0.026 . 1 . . . . 293 Leu CB . 16919 1 1254 . 1 1 293 293 LEU N N 15 117.826 0.068 . 1 . . . . 293 Leu N . 16919 1 1255 . 1 1 294 294 SER H H 1 8.876 0.009 . 1 . . . . 294 Ser H . 16919 1 1256 . 1 1 294 294 SER C C 13 177.079 0.014 . 1 . . . . 294 Ser C . 16919 1 1257 . 1 1 294 294 SER CA C 13 63.087 0.064 . 1 . . . . 294 Ser CA . 16919 1 1258 . 1 1 294 294 SER CB C 13 62.127 0.000 . 1 . . . . 294 Ser CB . 16919 1 1259 . 1 1 294 294 SER N N 15 117.944 0.052 . 1 . . . . 294 Ser N . 16919 1 1260 . 1 1 295 295 GLU H H 1 7.458 0.010 . 1 . . . . 295 Glu H . 16919 1 1261 . 1 1 295 295 GLU C C 13 178.840 0.019 . 1 . . . . 295 Glu C . 16919 1 1262 . 1 1 295 295 GLU CA C 13 58.945 0.023 . 1 . . . . 295 Glu CA . 16919 1 1263 . 1 1 295 295 GLU CB C 13 28.631 0.000 . 1 . . . . 295 Glu CB . 16919 1 1264 . 1 1 295 295 GLU N N 15 123.767 0.066 . 1 . . . . 295 Glu N . 16919 1 1265 . 1 1 296 296 ILE H H 1 7.165 0.011 . 1 . . . . 296 Ile H . 16919 1 1266 . 1 1 296 296 ILE C C 13 180.073 0.042 . 1 . . . . 296 Ile C . 16919 1 1267 . 1 1 296 296 ILE CA C 13 64.564 0.016 . 1 . . . . 296 Ile CA . 16919 1 1268 . 1 1 296 296 ILE CB C 13 37.755 0.000 . 1 . . . . 296 Ile CB . 16919 1 1269 . 1 1 296 296 ILE N N 15 119.504 0.053 . 1 . . . . 296 Ile N . 16919 1 1270 . 1 1 297 297 PHE H H 1 9.023 0.009 . 1 . . . . 297 Phe H . 16919 1 1271 . 1 1 297 297 PHE C C 13 179.044 0.022 . 1 . . . . 297 Phe C . 16919 1 1272 . 1 1 297 297 PHE CA C 13 63.122 0.037 . 1 . . . . 297 Phe CA . 16919 1 1273 . 1 1 297 297 PHE CB C 13 38.824 0.000 . 1 . . . . 297 Phe CB . 16919 1 1274 . 1 1 297 297 PHE N N 15 117.432 0.123 . 1 . . . . 297 Phe N . 16919 1 1275 . 1 1 298 298 GLY H H 1 8.518 0.008 . 1 . . . . 298 Gly H . 16919 1 1276 . 1 1 298 298 GLY C C 13 174.833 0.000 . 1 . . . . 298 Gly C . 16919 1 1277 . 1 1 298 298 GLY CA C 13 45.554 0.018 . 1 . . . . 298 Gly CA . 16919 1 1278 . 1 1 298 298 GLY N N 15 108.471 0.063 . 1 . . . . 298 Gly N . 16919 1 1279 . 1 1 299 299 GLN H H 1 7.054 0.009 . 1 . . . . 299 Gln H . 16919 1 1280 . 1 1 299 299 GLN C C 13 176.741 0.023 . 1 . . . . 299 Gln C . 16919 1 1281 . 1 1 299 299 GLN CA C 13 56.987 0.032 . 1 . . . . 299 Gln CA . 16919 1 1282 . 1 1 299 299 GLN CB C 13 28.319 0.013 . 1 . . . . 299 Gln CB . 16919 1 1283 . 1 1 299 299 GLN N N 15 117.233 0.094 . 1 . . . . 299 Gln N . 16919 1 1284 . 1 1 300 300 ARG H H 1 7.345 0.009 . 1 . . . . 300 Arg H . 16919 1 1285 . 1 1 300 300 ARG C C 13 174.831 0.011 . 1 . . . . 300 Arg C . 16919 1 1286 . 1 1 300 300 ARG CA C 13 55.769 0.031 . 1 . . . . 300 Arg CA . 16919 1 1287 . 1 1 300 300 ARG CB C 13 33.173 0.000 . 1 . . . . 300 Arg CB . 16919 1 1288 . 1 1 300 300 ARG N N 15 115.672 0.044 . 1 . . . . 300 Arg N . 16919 1 1289 . 1 1 301 301 TYR H H 1 8.157 0.007 . 1 . . . . 301 Tyr H . 16919 1 1290 . 1 1 301 301 TYR C C 13 175.530 0.025 . 1 . . . . 301 Tyr C . 16919 1 1291 . 1 1 301 301 TYR CA C 13 56.608 0.003 . 1 . . . . 301 Tyr CA . 16919 1 1292 . 1 1 301 301 TYR CB C 13 41.945 0.000 . 1 . . . . 301 Tyr CB . 16919 1 1293 . 1 1 301 301 TYR N N 15 118.195 0.074 . 1 . . . . 301 Tyr N . 16919 1 1294 . 1 1 302 302 ARG H H 1 8.988 0.004 . 1 . . . . 302 Arg H . 16919 1 1295 . 1 1 302 302 ARG C C 13 175.548 0.000 . 1 . . . . 302 Arg C . 16919 1 1296 . 1 1 302 302 ARG CA C 13 56.051 0.047 . 1 . . . . 302 Arg CA . 16919 1 1297 . 1 1 302 302 ARG CB C 13 29.700 0.029 . 1 . . . . 302 Arg CB . 16919 1 1298 . 1 1 302 302 ARG N N 15 122.920 0.021 . 1 . . . . 302 Arg N . 16919 1 1299 . 1 1 303 303 LEU H H 1 8.407 0.008 . 1 . . . . 303 Leu H . 16919 1 1300 . 1 1 303 303 LEU C C 13 178.172 0.025 . 1 . . . . 303 Leu C . 16919 1 1301 . 1 1 303 303 LEU CA C 13 53.486 0.006 . 1 . . . . 303 Leu CA . 16919 1 1302 . 1 1 303 303 LEU CB C 13 45.151 0.000 . 1 . . . . 303 Leu CB . 16919 1 1303 . 1 1 303 303 LEU N N 15 121.874 0.086 . 1 . . . . 303 Leu N . 16919 1 1304 . 1 1 304 304 ILE CA C 13 61.314 0.000 . 1 . . . . 304 Ile CA . 16919 1 1305 . 1 1 304 304 ILE CB C 13 40.636 0.000 . 1 . . . . 304 Ile CB . 16919 1 1306 . 1 1 305 305 VAL H H 1 8.730 0.007 . 1 . . . . 305 Val H . 16919 1 1307 . 1 1 305 305 VAL C C 13 176.159 0.000 . 1 . . . . 305 Val C . 16919 1 1308 . 1 1 305 305 VAL CA C 13 60.672 0.000 . 1 . . . . 305 Val CA . 16919 1 1309 . 1 1 305 305 VAL CB C 13 33.483 0.000 . 1 . . . . 305 Val CB . 16919 1 1310 . 1 1 305 305 VAL N N 15 125.402 0.058 . 1 . . . . 305 Val N . 16919 1 1311 . 1 1 306 306 SER H H 1 8.858 0.008 . 1 . . . . 306 Ser H . 16919 1 1312 . 1 1 306 306 SER C C 13 173.576 0.000 . 1 . . . . 306 Ser C . 16919 1 1313 . 1 1 306 306 SER CA C 13 58.553 0.001 . 1 . . . . 306 Ser CA . 16919 1 1314 . 1 1 306 306 SER CB C 13 66.007 0.080 . 1 . . . . 306 Ser CB . 16919 1 1315 . 1 1 306 306 SER N N 15 116.676 0.064 . 1 . . . . 306 Ser N . 16919 1 1316 . 1 1 307 307 LYS H H 1 8.950 0.006 . 1 . . . . 307 Lys H . 16919 1 1317 . 1 1 307 307 LYS C C 13 177.794 0.007 . 1 . . . . 307 Lys C . 16919 1 1318 . 1 1 307 307 LYS CA C 13 56.055 0.048 . 1 . . . . 307 Lys CA . 16919 1 1319 . 1 1 307 307 LYS CB C 13 32.672 0.000 . 1 . . . . 307 Lys CB . 16919 1 1320 . 1 1 307 307 LYS N N 15 125.841 0.052 . 1 . . . . 307 Lys N . 16919 1 1321 . 1 1 308 308 THR H H 1 8.709 0.006 . 1 . . . . 308 Thr H . 16919 1 1322 . 1 1 308 308 THR C C 13 173.720 0.018 . 1 . . . . 308 Thr C . 16919 1 1323 . 1 1 308 308 THR CA C 13 60.878 0.027 . 1 . . . . 308 Thr CA . 16919 1 1324 . 1 1 308 308 THR CB C 13 71.275 0.024 . 1 . . . . 308 Thr CB . 16919 1 1325 . 1 1 308 308 THR N N 15 111.832 0.052 . 1 . . . . 308 Thr N . 16919 1 1326 . 1 1 309 309 LYS H H 1 7.946 0.007 . 1 . . . . 309 Lys H . 16919 1 1327 . 1 1 309 309 LYS C C 13 173.691 0.030 . 1 . . . . 309 Lys C . 16919 1 1328 . 1 1 309 309 LYS CA C 13 52.307 0.041 . 1 . . . . 309 Lys CA . 16919 1 1329 . 1 1 309 309 LYS CB C 13 33.908 0.032 . 1 . . . . 309 Lys CB . 16919 1 1330 . 1 1 309 309 LYS N N 15 122.004 0.037 . 1 . . . . 309 Lys N . 16919 1 1331 . 1 1 310 310 ASP H H 1 8.473 0.006 . 1 . . . . 310 Asp H . 16919 1 1332 . 1 1 310 310 ASP C C 13 176.957 0.024 . 1 . . . . 310 Asp C . 16919 1 1333 . 1 1 310 310 ASP CA C 13 53.069 0.032 . 1 . . . . 310 Asp CA . 16919 1 1334 . 1 1 310 310 ASP CB C 13 40.392 0.016 . 1 . . . . 310 Asp CB . 16919 1 1335 . 1 1 310 310 ASP N N 15 126.295 0.037 . 1 . . . . 310 Asp N . 16919 1 1336 . 1 1 311 311 LEU H H 1 7.512 0.009 . 1 . . . . 311 Leu H . 16919 1 1337 . 1 1 311 311 LEU C C 13 178.155 0.048 . 1 . . . . 311 Leu C . 16919 1 1338 . 1 1 311 311 LEU CA C 13 53.234 0.024 . 1 . . . . 311 Leu CA . 16919 1 1339 . 1 1 311 311 LEU CB C 13 41.213 0.081 . 1 . . . . 311 Leu CB . 16919 1 1340 . 1 1 311 311 LEU N N 15 128.489 0.089 . 1 . . . . 311 Leu N . 16919 1 1341 . 1 1 312 312 SER H H 1 8.933 0.007 . 1 . . . . 312 Ser H . 16919 1 1342 . 1 1 312 312 SER CA C 13 61.334 0.035 . 1 . . . . 312 Ser CA . 16919 1 1343 . 1 1 312 312 SER CB C 13 62.817 0.000 . 1 . . . . 312 Ser CB . 16919 1 1344 . 1 1 312 312 SER N N 15 120.415 0.084 . 1 . . . . 312 Ser N . 16919 1 1345 . 1 1 313 313 GLN H H 1 8.291 0.004 . 1 . . . . 313 Gln H . 16919 1 1346 . 1 1 313 313 GLN CA C 13 55.158 0.034 . 1 . . . . 313 Gln CA . 16919 1 1347 . 1 1 313 313 GLN CB C 13 28.401 0.000 . 1 . . . . 313 Gln CB . 16919 1 1348 . 1 1 313 313 GLN N N 15 120.559 0.066 . 1 . . . . 313 Gln N . 16919 1 1349 . 1 1 314 314 ASP H H 1 8.127 0.008 . 1 . . . . 314 Asp H . 16919 1 1350 . 1 1 314 314 ASP C C 13 176.056 0.059 . 1 . . . . 314 Asp C . 16919 1 1351 . 1 1 314 314 ASP CA C 13 54.586 0.036 . 1 . . . . 314 Asp CA . 16919 1 1352 . 1 1 314 314 ASP CB C 13 40.988 0.030 . 1 . . . . 314 Asp CB . 16919 1 1353 . 1 1 314 314 ASP N N 15 122.110 0.050 . 1 . . . . 314 Asp N . 16919 1 1354 . 1 1 315 315 ASP H H 1 8.271 0.007 . 1 . . . . 315 Asp H . 16919 1 1355 . 1 1 315 315 ASP C C 13 176.711 0.000 . 1 . . . . 315 Asp C . 16919 1 1356 . 1 1 315 315 ASP CA C 13 54.153 0.026 . 1 . . . . 315 Asp CA . 16919 1 1357 . 1 1 315 315 ASP CB C 13 40.760 0.000 . 1 . . . . 315 Asp CB . 16919 1 1358 . 1 1 315 315 ASP N N 15 121.402 0.092 . 1 . . . . 315 Asp N . 16919 1 1359 . 1 1 316 316 CYS H H 1 8.404 0.004 . 1 . . . . 316 Cys H . 16919 1 1360 . 1 1 316 316 CYS C C 13 173.985 0.015 . 1 . . . . 316 Cys C . 16919 1 1361 . 1 1 316 316 CYS CA C 13 59.036 0.032 . 1 . . . . 316 Cys CA . 16919 1 1362 . 1 1 316 316 CYS CB C 13 27.442 0.000 . 1 . . . . 316 Cys CB . 16919 1 1363 . 1 1 316 316 CYS N N 15 118.819 0.032 . 1 . . . . 316 Cys N . 16919 1 1364 . 1 1 317 317 CYS H H 1 7.961 0.006 . 1 . . . . 317 Cys H . 16919 1 1365 . 1 1 317 317 CYS C C 13 178.799 0.000 . 1 . . . . 317 Cys C . 16919 1 1366 . 1 1 317 317 CYS CA C 13 59.558 0.027 . 1 . . . . 317 Cys CA . 16919 1 1367 . 1 1 317 317 CYS CB C 13 28.695 0.000 . 1 . . . . 317 Cys CB . 16919 1 1368 . 1 1 317 317 CYS N N 15 125.040 0.138 . 1 . . . . 317 Cys N . 16919 1 stop_ save_