data_6695 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6695 _Entry.Title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for Ferredoxin-NADP+ Reductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-20 _Entry.Accession_date 2005-06-20 _Entry.Last_release_date 2005-11-10 _Entry.Original_release_date 2005-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Masahiro Maeda . . . 6695 2 Lee Young-Ho . . . 6695 3 Takahisa Ikegami . . . 6695 4 Kohsuke Tamura . . . 6695 5 Masaru Hoshino . . . 6695 6 Toshio Yamazaki . . . 6695 7 Masato Nakayama . . . 6695 8 Toshiharu Hase . . . 6695 9 Yuji Goto . . . 6695 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute for Protein Research, Osaka University' . 6695 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6695 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 878 6695 '15N chemical shifts' 285 6695 '1H chemical shifts' 285 6695 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-10 2005-06-20 original author . 6695 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6695 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16060673 _Citation.Full_citation ; Biochemistry 2005, 44, 10644-10653; "Identification of the N- and C-Terminal Substrate Binding Segments of Ferredoxin-NADP+ Reductase by NMR" Masahiro Maeda, Young Ho Lee, Takahisa Ikegami, Kohsuke Tamura, Masaru Hoshino, Toshio Yamazaki, Masato Nakayama, Toshiharu Hase, and Yuji Goto ; _Citation.Title ; Identification of the N- and C-Terminal Substrate Binding Segments of Ferredoxin-NADP+ Reductase by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 31 _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 10644 _Citation.Page_last 10653 _Citation.Year 2005 _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 Maeda Masahiro . . . 6695 1 2 Lee Young-Ho . . . 6695 1 3 Takahisa Ikegami . . . 6695 1 4 Kohsuke Tamura . . . 6695 1 5 Masaru Hoshino . . . 6695 1 6 Toshio Yamazaki . . . 6695 1 7 Masato Nakayama . . . 6695 1 8 Toshiharu Hase . . . 6695 1 9 Yuji Goto . . . 6695 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 6695 1 'electron transfer complex' 6695 1 'ferredoxin-NADP+ reductase' 6695 1 'NADP+ binding mechanism' 6695 1 photosynthesis 6695 1 'protein-protein interaction' 6695 1 TROSY 6695 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6695 _Assembly.ID 1 _Assembly.Name 'FNR polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 polypeptide 1 $ferredoxin-NADP+_reductase . . no native no no . . . 6695 1 2 FAD 2 $FAD . . no native no no . . . 6695 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ferredoxin-NADP+_reductase _Entity.Sf_category entity _Entity.Sf_framecode ferredoxin-NADP+_reductase _Entity.Entry_ID 6695 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name polypeptide _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 ; IRAQASAVEAPATAKAKKES KKQEEGVVTNLYKPKEPYVG RCLLNTKITGDDAPGETWHM VFSTEGKIPYREGQSIGVIA DGVDKNGKPHKVRLYSIASS AIGDFGDSKTVSLCVKRLIY TNDAGEIVKGVCSNFLCDLQ PGDNVQITGPVGKEMLMPKD PNATIIMLATGTGIAPFRSF LWKMFFEKHDDYKFNGLGWL FLGVPTSSSLLYKEEFGKMK ERAPENFRVDYAVSREQTNA AGERMYIQTRMAEYKEELWE LLKKDNTYVYMCGLKGMEKG IDDIMVSLAEKDGIDWFDYK KQLKRGDQWNVEVY ; _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 314 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 35249 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The resonance of flavine adenine dinucleotide (FAD: cofactor) was not assigned.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GAQ . "Crystal Structure Of The Complex Between Ferredoxin And Ferredoxin-Nadp+ Reductase" . . . . . 100.00 314 100.00 100.00 0.00e+00 . . . . 6695 1 2 no PDB 1GAW . "Crystal Structure Analysis Of The Ferredoxin-Nadp+ Reductase From Maize Leaf" . . . . . 100.00 314 100.00 100.00 0.00e+00 . . . . 6695 1 3 no PDB 3W5U . "Cross-linked Complex Between Ferredoxin And Ferredoxin-nadp+ Reductase" . . . . . 100.00 314 99.68 99.68 0.00e+00 . . . . 6695 1 4 no PDB 3W5V . "Cross-linked Complex Between Ferredoxin And Ferredoxin-nadp+ Reductase" . . . . . 100.00 314 99.68 99.68 0.00e+00 . . . . 6695 1 5 no DBJ BAA88236 . "ferredoxin [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 6 no GB ACG31602 . "ferredoxin--NADP reductase, leaf isozyme [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 7 no GB ACL53609 . "unknown [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 8 no GB AFW86197 . "ferredoxinFerredoxin--NADP reductase, leaf isozyme [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 9 no REF NP_001105568 . "ferredoxin [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 10 no REF XP_008659023 . "PREDICTED: ferredoxin isoform X1 [Zea mays]" . . . . . 100.00 355 100.00 100.00 0.00e+00 . . . . 6695 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'FNR catalyzes the transfer of electrons from ferredoxin to NADP+' 6695 1 'last step of the photosynthetic I chain' 6695 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ferredoxin-NADP+ reductase' . 6695 1 FNR . 6695 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID flavoenzyme 6695 1 oxidoreductase 6695 1 'photosystem I' 6695 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ILE . 6695 1 2 . ARG . 6695 1 3 . ALA . 6695 1 4 . GLN . 6695 1 5 . ALA . 6695 1 6 . SER . 6695 1 7 . ALA . 6695 1 8 . VAL . 6695 1 9 . GLU . 6695 1 10 . ALA . 6695 1 11 . PRO . 6695 1 12 . ALA . 6695 1 13 . THR . 6695 1 14 . ALA . 6695 1 15 . LYS . 6695 1 16 . ALA . 6695 1 17 . LYS . 6695 1 18 . LYS . 6695 1 19 . GLU . 6695 1 20 . SER . 6695 1 21 . LYS . 6695 1 22 . LYS . 6695 1 23 . GLN . 6695 1 24 . GLU . 6695 1 25 . GLU . 6695 1 26 . GLY . 6695 1 27 . VAL . 6695 1 28 . VAL . 6695 1 29 . THR . 6695 1 30 . ASN . 6695 1 31 . LEU . 6695 1 32 . TYR . 6695 1 33 . LYS . 6695 1 34 . PRO . 6695 1 35 . LYS . 6695 1 36 . GLU . 6695 1 37 . PRO . 6695 1 38 . TYR . 6695 1 39 . VAL . 6695 1 40 . GLY . 6695 1 41 . ARG . 6695 1 42 . CYS . 6695 1 43 . LEU . 6695 1 44 . LEU . 6695 1 45 . ASN . 6695 1 46 . THR . 6695 1 47 . LYS . 6695 1 48 . ILE . 6695 1 49 . THR . 6695 1 50 . GLY . 6695 1 51 . ASP . 6695 1 52 . ASP . 6695 1 53 . ALA . 6695 1 54 . PRO . 6695 1 55 . GLY . 6695 1 56 . GLU . 6695 1 57 . THR . 6695 1 58 . TRP . 6695 1 59 . HIS . 6695 1 60 . MET . 6695 1 61 . VAL . 6695 1 62 . PHE . 6695 1 63 . SER . 6695 1 64 . THR . 6695 1 65 . GLU . 6695 1 66 . GLY . 6695 1 67 . LYS . 6695 1 68 . ILE . 6695 1 69 . PRO . 6695 1 70 . TYR . 6695 1 71 . ARG . 6695 1 72 . GLU . 6695 1 73 . GLY . 6695 1 74 . GLN . 6695 1 75 . SER . 6695 1 76 . ILE . 6695 1 77 . GLY . 6695 1 78 . VAL . 6695 1 79 . ILE . 6695 1 80 . ALA . 6695 1 81 . ASP . 6695 1 82 . GLY . 6695 1 83 . VAL . 6695 1 84 . ASP . 6695 1 85 . LYS . 6695 1 86 . ASN . 6695 1 87 . GLY . 6695 1 88 . LYS . 6695 1 89 . PRO . 6695 1 90 . HIS . 6695 1 91 . LYS . 6695 1 92 . VAL . 6695 1 93 . ARG . 6695 1 94 . LEU . 6695 1 95 . TYR . 6695 1 96 . SER . 6695 1 97 . ILE . 6695 1 98 . ALA . 6695 1 99 . SER . 6695 1 100 . SER . 6695 1 101 . ALA . 6695 1 102 . ILE . 6695 1 103 . GLY . 6695 1 104 . ASP . 6695 1 105 . PHE . 6695 1 106 . GLY . 6695 1 107 . ASP . 6695 1 108 . SER . 6695 1 109 . LYS . 6695 1 110 . THR . 6695 1 111 . VAL . 6695 1 112 . SER . 6695 1 113 . LEU . 6695 1 114 . CYS . 6695 1 115 . VAL . 6695 1 116 . LYS . 6695 1 117 . ARG . 6695 1 118 . LEU . 6695 1 119 . ILE . 6695 1 120 . TYR . 6695 1 121 . THR . 6695 1 122 . ASN . 6695 1 123 . ASP . 6695 1 124 . ALA . 6695 1 125 . GLY . 6695 1 126 . GLU . 6695 1 127 . ILE . 6695 1 128 . VAL . 6695 1 129 . LYS . 6695 1 130 . GLY . 6695 1 131 . VAL . 6695 1 132 . CYS . 6695 1 133 . SER . 6695 1 134 . ASN . 6695 1 135 . PHE . 6695 1 136 . LEU . 6695 1 137 . CYS . 6695 1 138 . ASP . 6695 1 139 . LEU . 6695 1 140 . GLN . 6695 1 141 . PRO . 6695 1 142 . GLY . 6695 1 143 . ASP . 6695 1 144 . ASN . 6695 1 145 . VAL . 6695 1 146 . GLN . 6695 1 147 . ILE . 6695 1 148 . THR . 6695 1 149 . GLY . 6695 1 150 . PRO . 6695 1 151 . VAL . 6695 1 152 . GLY . 6695 1 153 . LYS . 6695 1 154 . GLU . 6695 1 155 . MET . 6695 1 156 . LEU . 6695 1 157 . MET . 6695 1 158 . PRO . 6695 1 159 . LYS . 6695 1 160 . ASP . 6695 1 161 . PRO . 6695 1 162 . ASN . 6695 1 163 . ALA . 6695 1 164 . THR . 6695 1 165 . ILE . 6695 1 166 . ILE . 6695 1 167 . MET . 6695 1 168 . LEU . 6695 1 169 . ALA . 6695 1 170 . THR . 6695 1 171 . GLY . 6695 1 172 . THR . 6695 1 173 . GLY . 6695 1 174 . ILE . 6695 1 175 . ALA . 6695 1 176 . PRO . 6695 1 177 . PHE . 6695 1 178 . ARG . 6695 1 179 . SER . 6695 1 180 . PHE . 6695 1 181 . LEU . 6695 1 182 . TRP . 6695 1 183 . LYS . 6695 1 184 . MET . 6695 1 185 . PHE . 6695 1 186 . PHE . 6695 1 187 . GLU . 6695 1 188 . LYS . 6695 1 189 . HIS . 6695 1 190 . ASP . 6695 1 191 . ASP . 6695 1 192 . TYR . 6695 1 193 . LYS . 6695 1 194 . PHE . 6695 1 195 . ASN . 6695 1 196 . GLY . 6695 1 197 . LEU . 6695 1 198 . GLY . 6695 1 199 . TRP . 6695 1 200 . LEU . 6695 1 201 . PHE . 6695 1 202 . LEU . 6695 1 203 . GLY . 6695 1 204 . VAL . 6695 1 205 . PRO . 6695 1 206 . THR . 6695 1 207 . SER . 6695 1 208 . SER . 6695 1 209 . SER . 6695 1 210 . LEU . 6695 1 211 . LEU . 6695 1 212 . TYR . 6695 1 213 . LYS . 6695 1 214 . GLU . 6695 1 215 . GLU . 6695 1 216 . PHE . 6695 1 217 . GLY . 6695 1 218 . LYS . 6695 1 219 . MET . 6695 1 220 . LYS . 6695 1 221 . GLU . 6695 1 222 . ARG . 6695 1 223 . ALA . 6695 1 224 . PRO . 6695 1 225 . GLU . 6695 1 226 . ASN . 6695 1 227 . PHE . 6695 1 228 . ARG . 6695 1 229 . VAL . 6695 1 230 . ASP . 6695 1 231 . TYR . 6695 1 232 . ALA . 6695 1 233 . VAL . 6695 1 234 . SER . 6695 1 235 . ARG . 6695 1 236 . GLU . 6695 1 237 . GLN . 6695 1 238 . THR . 6695 1 239 . ASN . 6695 1 240 . ALA . 6695 1 241 . ALA . 6695 1 242 . GLY . 6695 1 243 . GLU . 6695 1 244 . ARG . 6695 1 245 . MET . 6695 1 246 . TYR . 6695 1 247 . ILE . 6695 1 248 . GLN . 6695 1 249 . THR . 6695 1 250 . ARG . 6695 1 251 . MET . 6695 1 252 . ALA . 6695 1 253 . GLU . 6695 1 254 . TYR . 6695 1 255 . LYS . 6695 1 256 . GLU . 6695 1 257 . GLU . 6695 1 258 . LEU . 6695 1 259 . TRP . 6695 1 260 . GLU . 6695 1 261 . LEU . 6695 1 262 . LEU . 6695 1 263 . LYS . 6695 1 264 . LYS . 6695 1 265 . ASP . 6695 1 266 . ASN . 6695 1 267 . THR . 6695 1 268 . TYR . 6695 1 269 . VAL . 6695 1 270 . TYR . 6695 1 271 . MET . 6695 1 272 . CYS . 6695 1 273 . GLY . 6695 1 274 . LEU . 6695 1 275 . LYS . 6695 1 276 . GLY . 6695 1 277 . MET . 6695 1 278 . GLU . 6695 1 279 . LYS . 6695 1 280 . GLY . 6695 1 281 . ILE . 6695 1 282 . ASP . 6695 1 283 . ASP . 6695 1 284 . ILE . 6695 1 285 . MET . 6695 1 286 . VAL . 6695 1 287 . SER . 6695 1 288 . LEU . 6695 1 289 . ALA . 6695 1 290 . GLU . 6695 1 291 . LYS . 6695 1 292 . ASP . 6695 1 293 . GLY . 6695 1 294 . ILE . 6695 1 295 . ASP . 6695 1 296 . TRP . 6695 1 297 . PHE . 6695 1 298 . ASP . 6695 1 299 . TYR . 6695 1 300 . LYS . 6695 1 301 . LYS . 6695 1 302 . GLN . 6695 1 303 . LEU . 6695 1 304 . LYS . 6695 1 305 . ARG . 6695 1 306 . GLY . 6695 1 307 . ASP . 6695 1 308 . GLN . 6695 1 309 . TRP . 6695 1 310 . ASN . 6695 1 311 . VAL . 6695 1 312 . GLU . 6695 1 313 . VAL . 6695 1 314 . TYR . 6695 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ILE 1 1 6695 1 . ARG 2 2 6695 1 . ALA 3 3 6695 1 . GLN 4 4 6695 1 . ALA 5 5 6695 1 . SER 6 6 6695 1 . ALA 7 7 6695 1 . VAL 8 8 6695 1 . GLU 9 9 6695 1 . ALA 10 10 6695 1 . PRO 11 11 6695 1 . ALA 12 12 6695 1 . THR 13 13 6695 1 . ALA 14 14 6695 1 . LYS 15 15 6695 1 . ALA 16 16 6695 1 . LYS 17 17 6695 1 . LYS 18 18 6695 1 . GLU 19 19 6695 1 . SER 20 20 6695 1 . LYS 21 21 6695 1 . LYS 22 22 6695 1 . GLN 23 23 6695 1 . GLU 24 24 6695 1 . GLU 25 25 6695 1 . GLY 26 26 6695 1 . VAL 27 27 6695 1 . VAL 28 28 6695 1 . THR 29 29 6695 1 . ASN 30 30 6695 1 . LEU 31 31 6695 1 . TYR 32 32 6695 1 . LYS 33 33 6695 1 . PRO 34 34 6695 1 . LYS 35 35 6695 1 . GLU 36 36 6695 1 . PRO 37 37 6695 1 . TYR 38 38 6695 1 . VAL 39 39 6695 1 . GLY 40 40 6695 1 . ARG 41 41 6695 1 . CYS 42 42 6695 1 . LEU 43 43 6695 1 . LEU 44 44 6695 1 . ASN 45 45 6695 1 . THR 46 46 6695 1 . LYS 47 47 6695 1 . ILE 48 48 6695 1 . THR 49 49 6695 1 . GLY 50 50 6695 1 . ASP 51 51 6695 1 . ASP 52 52 6695 1 . ALA 53 53 6695 1 . PRO 54 54 6695 1 . GLY 55 55 6695 1 . GLU 56 56 6695 1 . THR 57 57 6695 1 . TRP 58 58 6695 1 . HIS 59 59 6695 1 . MET 60 60 6695 1 . VAL 61 61 6695 1 . PHE 62 62 6695 1 . SER 63 63 6695 1 . THR 64 64 6695 1 . GLU 65 65 6695 1 . GLY 66 66 6695 1 . LYS 67 67 6695 1 . ILE 68 68 6695 1 . PRO 69 69 6695 1 . TYR 70 70 6695 1 . ARG 71 71 6695 1 . GLU 72 72 6695 1 . GLY 73 73 6695 1 . GLN 74 74 6695 1 . SER 75 75 6695 1 . ILE 76 76 6695 1 . GLY 77 77 6695 1 . VAL 78 78 6695 1 . ILE 79 79 6695 1 . ALA 80 80 6695 1 . ASP 81 81 6695 1 . GLY 82 82 6695 1 . VAL 83 83 6695 1 . ASP 84 84 6695 1 . LYS 85 85 6695 1 . ASN 86 86 6695 1 . GLY 87 87 6695 1 . LYS 88 88 6695 1 . PRO 89 89 6695 1 . HIS 90 90 6695 1 . LYS 91 91 6695 1 . VAL 92 92 6695 1 . ARG 93 93 6695 1 . LEU 94 94 6695 1 . TYR 95 95 6695 1 . SER 96 96 6695 1 . ILE 97 97 6695 1 . ALA 98 98 6695 1 . SER 99 99 6695 1 . SER 100 100 6695 1 . ALA 101 101 6695 1 . ILE 102 102 6695 1 . GLY 103 103 6695 1 . ASP 104 104 6695 1 . PHE 105 105 6695 1 . GLY 106 106 6695 1 . ASP 107 107 6695 1 . SER 108 108 6695 1 . LYS 109 109 6695 1 . THR 110 110 6695 1 . VAL 111 111 6695 1 . SER 112 112 6695 1 . LEU 113 113 6695 1 . CYS 114 114 6695 1 . VAL 115 115 6695 1 . LYS 116 116 6695 1 . ARG 117 117 6695 1 . LEU 118 118 6695 1 . ILE 119 119 6695 1 . TYR 120 120 6695 1 . THR 121 121 6695 1 . ASN 122 122 6695 1 . ASP 123 123 6695 1 . ALA 124 124 6695 1 . GLY 125 125 6695 1 . GLU 126 126 6695 1 . ILE 127 127 6695 1 . VAL 128 128 6695 1 . LYS 129 129 6695 1 . GLY 130 130 6695 1 . VAL 131 131 6695 1 . CYS 132 132 6695 1 . SER 133 133 6695 1 . ASN 134 134 6695 1 . PHE 135 135 6695 1 . LEU 136 136 6695 1 . CYS 137 137 6695 1 . ASP 138 138 6695 1 . LEU 139 139 6695 1 . GLN 140 140 6695 1 . PRO 141 141 6695 1 . GLY 142 142 6695 1 . ASP 143 143 6695 1 . ASN 144 144 6695 1 . VAL 145 145 6695 1 . GLN 146 146 6695 1 . ILE 147 147 6695 1 . THR 148 148 6695 1 . GLY 149 149 6695 1 . PRO 150 150 6695 1 . VAL 151 151 6695 1 . GLY 152 152 6695 1 . LYS 153 153 6695 1 . GLU 154 154 6695 1 . MET 155 155 6695 1 . LEU 156 156 6695 1 . MET 157 157 6695 1 . PRO 158 158 6695 1 . LYS 159 159 6695 1 . ASP 160 160 6695 1 . PRO 161 161 6695 1 . ASN 162 162 6695 1 . ALA 163 163 6695 1 . THR 164 164 6695 1 . ILE 165 165 6695 1 . ILE 166 166 6695 1 . MET 167 167 6695 1 . LEU 168 168 6695 1 . ALA 169 169 6695 1 . THR 170 170 6695 1 . GLY 171 171 6695 1 . THR 172 172 6695 1 . GLY 173 173 6695 1 . ILE 174 174 6695 1 . ALA 175 175 6695 1 . PRO 176 176 6695 1 . PHE 177 177 6695 1 . ARG 178 178 6695 1 . SER 179 179 6695 1 . PHE 180 180 6695 1 . LEU 181 181 6695 1 . TRP 182 182 6695 1 . LYS 183 183 6695 1 . MET 184 184 6695 1 . PHE 185 185 6695 1 . PHE 186 186 6695 1 . GLU 187 187 6695 1 . LYS 188 188 6695 1 . HIS 189 189 6695 1 . ASP 190 190 6695 1 . ASP 191 191 6695 1 . TYR 192 192 6695 1 . LYS 193 193 6695 1 . PHE 194 194 6695 1 . ASN 195 195 6695 1 . GLY 196 196 6695 1 . LEU 197 197 6695 1 . GLY 198 198 6695 1 . TRP 199 199 6695 1 . LEU 200 200 6695 1 . PHE 201 201 6695 1 . LEU 202 202 6695 1 . GLY 203 203 6695 1 . VAL 204 204 6695 1 . PRO 205 205 6695 1 . THR 206 206 6695 1 . SER 207 207 6695 1 . SER 208 208 6695 1 . SER 209 209 6695 1 . LEU 210 210 6695 1 . LEU 211 211 6695 1 . TYR 212 212 6695 1 . LYS 213 213 6695 1 . GLU 214 214 6695 1 . GLU 215 215 6695 1 . PHE 216 216 6695 1 . GLY 217 217 6695 1 . LYS 218 218 6695 1 . MET 219 219 6695 1 . LYS 220 220 6695 1 . GLU 221 221 6695 1 . ARG 222 222 6695 1 . ALA 223 223 6695 1 . PRO 224 224 6695 1 . GLU 225 225 6695 1 . ASN 226 226 6695 1 . PHE 227 227 6695 1 . ARG 228 228 6695 1 . VAL 229 229 6695 1 . ASP 230 230 6695 1 . TYR 231 231 6695 1 . ALA 232 232 6695 1 . VAL 233 233 6695 1 . SER 234 234 6695 1 . ARG 235 235 6695 1 . GLU 236 236 6695 1 . GLN 237 237 6695 1 . THR 238 238 6695 1 . ASN 239 239 6695 1 . ALA 240 240 6695 1 . ALA 241 241 6695 1 . GLY 242 242 6695 1 . GLU 243 243 6695 1 . ARG 244 244 6695 1 . MET 245 245 6695 1 . TYR 246 246 6695 1 . ILE 247 247 6695 1 . GLN 248 248 6695 1 . THR 249 249 6695 1 . ARG 250 250 6695 1 . MET 251 251 6695 1 . ALA 252 252 6695 1 . GLU 253 253 6695 1 . TYR 254 254 6695 1 . LYS 255 255 6695 1 . GLU 256 256 6695 1 . GLU 257 257 6695 1 . LEU 258 258 6695 1 . TRP 259 259 6695 1 . GLU 260 260 6695 1 . LEU 261 261 6695 1 . LEU 262 262 6695 1 . LYS 263 263 6695 1 . LYS 264 264 6695 1 . ASP 265 265 6695 1 . ASN 266 266 6695 1 . THR 267 267 6695 1 . TYR 268 268 6695 1 . VAL 269 269 6695 1 . TYR 270 270 6695 1 . MET 271 271 6695 1 . CYS 272 272 6695 1 . GLY 273 273 6695 1 . LEU 274 274 6695 1 . LYS 275 275 6695 1 . GLY 276 276 6695 1 . MET 277 277 6695 1 . GLU 278 278 6695 1 . LYS 279 279 6695 1 . GLY 280 280 6695 1 . ILE 281 281 6695 1 . ASP 282 282 6695 1 . ASP 283 283 6695 1 . ILE 284 284 6695 1 . MET 285 285 6695 1 . VAL 286 286 6695 1 . SER 287 287 6695 1 . LEU 288 288 6695 1 . ALA 289 289 6695 1 . GLU 290 290 6695 1 . LYS 291 291 6695 1 . ASP 292 292 6695 1 . GLY 293 293 6695 1 . ILE 294 294 6695 1 . ASP 295 295 6695 1 . TRP 296 296 6695 1 . PHE 297 297 6695 1 . ASP 298 298 6695 1 . TYR 299 299 6695 1 . LYS 300 300 6695 1 . LYS 301 301 6695 1 . GLN 302 302 6695 1 . LEU 303 303 6695 1 . LYS 304 304 6695 1 . ARG 305 305 6695 1 . GLY 306 306 6695 1 . ASP 307 307 6695 1 . GLN 308 308 6695 1 . TRP 309 309 6695 1 . ASN 310 310 6695 1 . VAL 311 311 6695 1 . GLU 312 312 6695 1 . VAL 313 313 6695 1 . TYR 314 314 6695 1 stop_ save_ save_FAD _Entity.Sf_category entity _Entity.Sf_framecode FAD _Entity.Entry_ID 6695 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FAD _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FAD _Entity.Nonpolymer_comp_label $chem_comp_FAD _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . FAD . 6695 2 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 6695 _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 $ferredoxin-NADP+_reductase . 4577 organism . 'Zea mays' 'maize (corn)' . . Eukaryota Viridiplantae Zea mays . . . . leaf . . . . chroloplast . . 'stroma/thylakoid membrane' . pYOL . . . . . . 6695 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 6695 _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 $ferredoxin-NADP+_reductase . 'recombinant technology' . 'E. coli' 'TG 1' . . . . . . . . . . . . . . . . . . . . . . . . . . 6695 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FAD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FAD _Chem_comp.Entry_ID 6695 _Chem_comp.ID FAD _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN-ADENINE DINUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FAD _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FAD _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C27 H33 N9 O15 P2' _Chem_comp.Formula_weight 785.550 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B4V _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 11:28:56 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 6695 FAD Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6695 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES_CANONICAL CACTVS 3.341 6695 FAD Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C SMILES CACTVS 3.341 6695 FAD InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 InChI InChI 1.03 6695 FAD O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C SMILES ACDLabs 10.04 6695 FAD VWWQXMAJTJZDQX-UYBVJOGSSA-N InChIKey InChI 1.03 6695 FAD stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 6695 FAD '[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6695 FAD stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA . PA . . P . . R 0 . . . . no no . . . . 21.838 . 0.805 . 23.170 . -1.648 -0.629 -3.229 1 . 6695 FAD O1A . O1A . . O . . N 0 . . . . no no . . . . 21.303 . -0.519 . 22.722 . -3.035 -1.088 -2.992 2 . 6695 FAD O2A . O2A . . O . . N 0 . . . . no no . . . . 21.242 . 1.938 . 22.745 . -0.678 -1.906 -3.378 3 . 6695 FAD O5B . O5B . . O . . N 0 . . . . no no . . . . 21.519 . 0.682 . 24.644 . -1.595 0.245 -4.580 4 . 6695 FAD C5B . C5B . . C . . N 0 . . . . no no . . . . 21.897 . 1.643 . 25.685 . -2.036 -0.605 -5.640 5 . 6695 FAD C4B . C4B . . C . . R 0 . . . . no no . . . . 20.997 . 1.330 . 26.945 . -2.009 0.169 -6.959 6 . 6695 FAD O4B . O4B . . O . . N 0 . . . . no no . . . . 21.460 . 2.224 . 28.053 . -0.665 0.583 -7.256 7 . 6695 FAD C3B . C3B . . C . . S 0 . . . . no no . . . . 19.460 . 1.622 . 26.806 . -2.476 -0.741 -8.111 8 . 6695 FAD O3B . O3B . . O . . N 0 . . . . no no . . . . 18.671 . 0.579 . 27.290 . -3.639 -0.203 -8.744 9 . 6695 FAD C2B . C2B . . C . . R 0 . . . . no no . . . . 19.298 . 2.973 . 27.574 . -1.277 -0.748 -9.095 10 . 6695 FAD O2B . O2B . . O . . N 0 . . . . no no . . . . 18.004 . 3.122 . 28.103 . -1.728 -0.672 -10.449 11 . 6695 FAD C1B . C1B . . C . . R 0 . . . . no no . . . . 20.276 . 2.783 . 28.699 . -0.518 0.541 -8.692 12 . 6695 FAD N9A . N9A . . N . . N 0 . . . . yes no . . . . 20.801 . 4.020 . 29.267 . 0.895 0.449 -9.063 13 . 6695 FAD C8A . C8A . . C . . N 0 . . . . yes no . . . . 21.154 . 5.153 . 28.575 . 1.889 -0.118 -8.322 14 . 6695 FAD N7A . N7A . . N . . N 0 . . . . yes no . . . . 21.668 . 6.097 . 29.360 . 3.023 -0.024 -8.953 15 . 6695 FAD C5A . C5A . . C . . N 0 . . . . yes no . . . . 21.563 . 5.585 . 30.631 . 2.830 0.606 -10.136 16 . 6695 FAD C6A . C6A . . C . . N 0 . . . . yes no . . . . 21.927 . 6.147 . 31.932 . 3.663 0.979 -11.205 17 . 6695 FAD N6A . N6A . . N . . N 0 . . . . no no . . . . 22.352 . 7.373 . 32.098 . 5.018 0.698 -11.178 18 . 6695 FAD N1A . N1A . . N . . N 0 . . . . yes no . . . . 21.585 . 5.362 . 32.997 . 3.119 1.607 -12.242 19 . 6695 FAD C2A . C2A . . C . . N 0 . . . . yes no . . . . 21.028 . 4.127 . 32.847 . 1.827 1.878 -12.277 20 . 6695 FAD N3A . N3A . . N . . N 0 . . . . yes no . . . . 20.758 . 3.492 . 31.695 . 1.010 1.549 -11.299 21 . 6695 FAD C4A . C4A . . C . . N 0 . . . . yes no . . . . 21.094 . 4.244 . 30.607 . 1.462 0.914 -10.223 22 . 6695 FAD N1 . N1 . . N . . N 0 . . . . no no . . . . 21.113 . -2.231 . 14.334 . -1.933 0.360 8.321 23 . 6695 FAD C2 . C2 . . C . . N 0 . . . . no no . . . . 21.370 . -3.317 . 13.619 . -2.802 1.033 9.070 24 . 6695 FAD O2 . O2 . . O . . N 0 . . . . no no . . . . 22.472 . -3.795 . 13.558 . -3.970 1.043 8.721 25 . 6695 FAD N3 . N3 . . N . . N 0 . . . . no no . . . . 20.335 . -4.062 . 12.992 . -2.474 1.701 10.185 26 . 6695 FAD C4 . C4 . . C . . N 0 . . . . no no . . . . 19.064 . -3.545 . 12.870 . -1.197 1.734 10.634 27 . 6695 FAD O4 . O4 . . O . . N 0 . . . . no no . . . . 18.201 . -4.199 . 12.324 . -0.897 2.340 11.644 28 . 6695 FAD C4X . C4X . . C . . N 0 . . . . no no . . . . 18.842 . -2.220 . 13.431 . -0.184 1.003 9.842 29 . 6695 FAD N5 . N5 . . N . . N 0 . . . . no no . . . . 17.621 . -1.643 . 13.324 . 1.078 0.968 10.185 30 . 6695 FAD C5X . C5X . . C . . N 0 . . . . yes no . . . . 17.401 . -0.507 . 14.054 . 1.969 0.295 9.446 31 . 6695 FAD C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.092 . 0.030 . 14.034 . 3.324 0.270 9.833 32 . 6695 FAD C7 . C7 . . C . . N 0 . . . . yes no . . . . 15.729 . 1.049 . 14.879 . 4.232 -0.412 9.082 33 . 6695 FAD C7M . C7M . . C . . N 0 . . . . no no . . . . 14.319 . 1.587 . 14.859 . 5.679 -0.434 9.502 34 . 6695 FAD C8 . C8 . . C . . N 0 . . . . yes no . . . . 16.666 . 1.547 . 15.852 . 3.841 -1.085 7.930 35 . 6695 FAD C8M . C8M . . C . . N 0 . . . . no no . . . . 16.334 . 2.718 . 16.739 . 4.866 -1.832 7.116 36 . 6695 FAD C9 . C9 . . C . . N 0 . . . . yes no . . . . 17.942 . 0.981 . 15.928 . 2.523 -1.082 7.529 37 . 6695 FAD C9A . C9A . . C . . N 0 . . . . yes no . . . . 18.331 . 0.020 . 14.992 . 1.572 -0.393 8.278 38 . 6695 FAD N10 . N10 . . N . . N 0 . . . . no no . . . . 19.633 . -0.566 . 14.994 . 0.253 -0.382 7.877 39 . 6695 FAD C10 . C10 . . C . . N 0 . . . . no no . . . . 19.892 . -1.653 . 14.271 . -0.649 0.301 8.634 40 . 6695 FAD C1' . C1' . . C . . N 0 . . . . no no . . . . 20.685 . 0.069 . 15.813 . -0.168 -1.093 6.668 41 . 6695 FAD C2' . C2' . . C . . S 0 . . . . no no . . . . 21.054 . -0.797 . 17.045 . -0.070 -0.153 5.464 42 . 6695 FAD O2' . O2' . . O . . N 0 . . . . no no . . . . 19.858 . -1.073 . 17.768 . -0.919 0.977 5.673 43 . 6695 FAD C3' . C3' . . C . . S 0 . . . . no no . . . . 21.986 . 0.046 . 17.903 . -0.511 -0.895 4.201 44 . 6695 FAD O3' . O3' . . O . . N 0 . . . . no no . . . . 23.172 . 0.294 . 17.145 . 0.337 -2.026 3.992 45 . 6695 FAD C4' . C4' . . C . . R 0 . . . . no no . . . . 22.378 . -0.732 . 19.167 . -0.413 0.044 2.997 46 . 6695 FAD O4' . O4' . . O . . N 0 . . . . no no . . . . 21.231 . -1.036 . 19.962 . -1.262 1.174 3.206 47 . 6695 FAD C5' . C5' . . C . . N 0 . . . . no no . . . . 23.375 . 0.117 . 19.918 . -0.854 -0.697 1.734 48 . 6695 FAD O5' . O5' . . O . . N 0 . . . . no no . . . . 23.884 . -0.652 . 21.183 . -0.763 0.179 0.610 49 . 6695 FAD P . P . . P . . R 0 . . . . no no . . . . 24.507 . 0.103 . 22.345 . -1.239 -0.662 -0.677 50 . 6695 FAD O1P . O1P . . O . . N 0 . . . . no no . . . . 24.982 . -0.991 . 23.309 . -0.354 -1.835 -0.853 51 . 6695 FAD O2P . O2P . . O . . N 0 . . . . no no . . . . 25.437 . 1.054 . 21.950 . -2.754 -1.160 -0.462 52 . 6695 FAD O3P . O3P . . O . . N 0 . . . . no no . . . . 23.473 . 0.866 . 23.032 . -1.161 0.270 -1.987 53 . 6695 FAD HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 21.581 . 2.778 . 23.029 . 0.212 -1.564 -3.531 54 . 6695 FAD H51A . H51A . . H . . N 0 . . . . no no . . . . 22.988 . 1.637 . 25.912 . -1.374 -1.468 -5.712 55 . 6695 FAD H52A . H52A . . H . . N 0 . . . . no no . . . . 21.828 . 2.704 . 25.349 . -3.052 -0.942 -5.437 56 . 6695 FAD H4B . H4B . . H . . N 0 . . . . no no . . . . 21.108 . 0.232 . 27.108 . -2.659 1.041 -6.890 57 . 6695 FAD H3B . H3B . . H . . N 0 . . . . no no . . . . 19.108 . 1.700 . 25.750 . -2.674 -1.748 -7.744 58 . 6695 FAD HO3A . HO3A . . H . . N 0 . . . . no no . . . . 17.741 . 0.755 . 27.205 . -3.845 -0.782 -9.490 59 . 6695 FAD H2B . H2B . . H . . N 0 . . . . no no . . . . 19.466 . 3.869 . 26.932 . -0.653 -1.630 -8.944 60 . 6695 FAD HO2A . HO2A . . H . . N 0 . . . . no no . . . . 17.905 . 3.943 . 28.570 . -2.190 -1.501 -10.636 61 . 6695 FAD H1B . H1B . . H . . N 0 . . . . no no . . . . 19.760 . 2.196 . 29.494 . -0.978 1.416 -9.150 62 . 6695 FAD H8A . H8A . . H . . N 0 . . . . no no . . . . 21.035 . 5.292 . 27.487 . 1.754 -0.577 -7.354 63 . 6695 FAD H61A . H61A . . H . . N 0 . . . . no no . . . . 22.605 . 7.764 . 33.004 . 5.582 0.960 -11.922 64 . 6695 FAD H62A . H62A . . H . . N 0 . . . . no no . . . . 21.653 . 7.992 . 31.686 . 5.403 0.239 -10.415 65 . 6695 FAD H2A . H2A . . H . . N 0 . . . . no no . . . . 20.764 . 3.576 . 33.766 . 1.427 2.391 -13.139 66 . 6695 FAD HN3 . HN3 . . H . . N 0 . . . . no no . . . . 20.509 . -4.995 . 12.618 . -3.164 2.169 10.679 67 . 6695 FAD H6 . H6 . . H . . N 0 . . . . no no . . . . 15.330 . -0.358 . 13.337 . 3.641 0.792 10.723 68 . 6695 FAD HM71 . HM71 . . H . . N 0 . . . . no no . . . . 14.024 . 2.414 . 15.545 . 5.853 -1.285 10.162 69 . 6695 FAD HM72 . HM72 . . H . . N 0 . . . . no no . . . . 14.074 . 1.892 . 13.815 . 6.313 -0.523 8.620 70 . 6695 FAD HM73 . HM73 . . H . . N 0 . . . . no no . . . . 13.616 . 0.735 . 15.013 . 5.919 0.488 10.030 71 . 6695 FAD HM81 . HM81 . . H . . N 0 . . . . no no . . . . 17.059 . 3.103 . 17.492 . 5.285 -1.167 6.361 72 . 6695 FAD HM82 . HM82 . . H . . N 0 . . . . no no . . . . 16.034 . 3.569 . 16.084 . 5.662 -2.185 7.772 73 . 6695 FAD HM83 . HM83 . . H . . N 0 . . . . no no . . . . 15.380 . 2.487 . 17.268 . 4.393 -2.684 6.628 74 . 6695 FAD H9 . H9 . . H . . N 0 . . . . no no . . . . 18.639 . 1.291 . 16.723 . 2.228 -1.609 6.634 75 . 6695 FAD H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 21.585 . 0.310 . 15.201 . 0.478 -1.955 6.508 76 . 6695 FAD H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 20.396 . 1.103 . 16.114 . -1.198 -1.428 6.784 77 . 6695 FAD H2' . H2' . . H . . N 0 . . . . no no . . . . 21.540 . -1.757 . 16.755 . 0.959 0.182 5.348 78 . 6695 FAD HO2' . HO2' . . H . . N 0 . . . . no no . . . . 20.084 . -1.603 . 18.522 . -1.819 0.637 5.771 79 . 6695 FAD H3' . H3' . . H . . N 0 . . . . no no . . . . 21.479 . 0.996 . 18.193 . -1.541 -1.231 4.317 80 . 6695 FAD HO3' . HO3' . . H . . N 0 . . . . no no . . . . 23.753 . 0.820 . 17.680 . 1.237 -1.686 3.894 81 . 6695 FAD H4' . H4' . . H . . N 0 . . . . no no . . . . 22.834 . -1.714 . 18.902 . 0.616 0.379 2.881 82 . 6695 FAD HO4' . HO4' . . H . . N 0 . . . . no no . . . . 21.473 . -1.517 . 20.744 . -2.162 0.834 3.304 83 . 6695 FAD H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 24.215 . 0.451 . 19.265 . -0.207 -1.560 1.575 84 . 6695 FAD H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 22.960 . 1.119 . 20.176 . -1.884 -1.033 1.850 85 . 6695 FAD HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 25.826 . 1.526 . 22.676 . -3.296 -0.367 -0.351 86 . 6695 FAD stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 6695 FAD 2 . SING PA O2A no N 2 . 6695 FAD 3 . SING PA O5B no N 3 . 6695 FAD 4 . SING PA O3P no N 4 . 6695 FAD 5 . SING O2A HOA2 no N 5 . 6695 FAD 6 . SING O5B C5B no N 6 . 6695 FAD 7 . SING C5B C4B no N 7 . 6695 FAD 8 . SING C5B H51A no N 8 . 6695 FAD 9 . SING C5B H52A no N 9 . 6695 FAD 10 . SING C4B O4B no N 10 . 6695 FAD 11 . SING C4B C3B no N 11 . 6695 FAD 12 . SING C4B H4B no N 12 . 6695 FAD 13 . SING O4B C1B no N 13 . 6695 FAD 14 . SING C3B O3B no N 14 . 6695 FAD 15 . SING C3B C2B no N 15 . 6695 FAD 16 . SING C3B H3B no N 16 . 6695 FAD 17 . SING O3B HO3A no N 17 . 6695 FAD 18 . SING C2B O2B no N 18 . 6695 FAD 19 . SING C2B C1B no N 19 . 6695 FAD 20 . SING C2B H2B no N 20 . 6695 FAD 21 . SING O2B HO2A no N 21 . 6695 FAD 22 . SING C1B N9A no N 22 . 6695 FAD 23 . SING C1B H1B no N 23 . 6695 FAD 24 . SING N9A C8A yes N 24 . 6695 FAD 25 . SING N9A C4A yes N 25 . 6695 FAD 26 . DOUB C8A N7A yes N 26 . 6695 FAD 27 . SING C8A H8A no N 27 . 6695 FAD 28 . SING N7A C5A yes N 28 . 6695 FAD 29 . SING C5A C6A yes N 29 . 6695 FAD 30 . DOUB C5A C4A yes N 30 . 6695 FAD 31 . SING C6A N6A no N 31 . 6695 FAD 32 . DOUB C6A N1A yes N 32 . 6695 FAD 33 . SING N6A H61A no N 33 . 6695 FAD 34 . SING N6A H62A no N 34 . 6695 FAD 35 . SING N1A C2A yes N 35 . 6695 FAD 36 . DOUB C2A N3A yes N 36 . 6695 FAD 37 . SING C2A H2A no N 37 . 6695 FAD 38 . SING N3A C4A yes N 38 . 6695 FAD 39 . SING N1 C2 no N 39 . 6695 FAD 40 . DOUB N1 C10 no N 40 . 6695 FAD 41 . DOUB C2 O2 no N 41 . 6695 FAD 42 . SING C2 N3 no N 42 . 6695 FAD 43 . SING N3 C4 no N 43 . 6695 FAD 44 . SING N3 HN3 no N 44 . 6695 FAD 45 . DOUB C4 O4 no N 45 . 6695 FAD 46 . SING C4 C4X no N 46 . 6695 FAD 47 . DOUB C4X N5 no N 47 . 6695 FAD 48 . SING C4X C10 no N 48 . 6695 FAD 49 . SING N5 C5X no N 49 . 6695 FAD 50 . DOUB C5X C6 yes N 50 . 6695 FAD 51 . SING C5X C9A yes N 51 . 6695 FAD 52 . SING C6 C7 yes N 52 . 6695 FAD 53 . SING C6 H6 no N 53 . 6695 FAD 54 . SING C7 C7M no N 54 . 6695 FAD 55 . DOUB C7 C8 yes N 55 . 6695 FAD 56 . SING C7M HM71 no N 56 . 6695 FAD 57 . SING C7M HM72 no N 57 . 6695 FAD 58 . SING C7M HM73 no N 58 . 6695 FAD 59 . SING C8 C8M no N 59 . 6695 FAD 60 . SING C8 C9 yes N 60 . 6695 FAD 61 . SING C8M HM81 no N 61 . 6695 FAD 62 . SING C8M HM82 no N 62 . 6695 FAD 63 . SING C8M HM83 no N 63 . 6695 FAD 64 . DOUB C9 C9A yes N 64 . 6695 FAD 65 . SING C9 H9 no N 65 . 6695 FAD 66 . SING C9A N10 no N 66 . 6695 FAD 67 . SING N10 C10 no N 67 . 6695 FAD 68 . SING N10 C1' no N 68 . 6695 FAD 69 . SING C1' C2' no N 69 . 6695 FAD 70 . SING C1' H1'1 no N 70 . 6695 FAD 71 . SING C1' H1'2 no N 71 . 6695 FAD 72 . SING C2' O2' no N 72 . 6695 FAD 73 . SING C2' C3' no N 73 . 6695 FAD 74 . SING C2' H2' no N 74 . 6695 FAD 75 . SING O2' HO2' no N 75 . 6695 FAD 76 . SING C3' O3' no N 76 . 6695 FAD 77 . SING C3' C4' no N 77 . 6695 FAD 78 . SING C3' H3' no N 78 . 6695 FAD 79 . SING O3' HO3' no N 79 . 6695 FAD 80 . SING C4' O4' no N 80 . 6695 FAD 81 . SING C4' C5' no N 81 . 6695 FAD 82 . SING C4' H4' no N 82 . 6695 FAD 83 . SING O4' HO4' no N 83 . 6695 FAD 84 . SING C5' O5' no N 84 . 6695 FAD 85 . SING C5' H5'1 no N 85 . 6695 FAD 86 . SING C5' H5'2 no N 86 . 6695 FAD 87 . SING O5' P no N 87 . 6695 FAD 88 . DOUB P O1P no N 88 . 6695 FAD 89 . SING P O2P no N 89 . 6695 FAD 90 . SING P O3P no N 90 . 6695 FAD 91 . SING O2P HOP2 no N 91 . 6695 FAD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_buffer _Sample.Sf_category sample _Sample.Sf_framecode buffer _Sample.Entry_ID 6695 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 polypeptide '[U-95% 13C; U-98% 15N; U-80% 2H]' 1 $assembly 1 $ferredoxin-NADP+_reductase . protein 0.4 . . mM . . . . 6695 1 2 FAD . 1 $assembly 2 $FAD . ligand 0.4 . . mM . . . . 6695 1 3 'Sodium perchlorate' . . . . . . salt 50 . . mM . . . . 6695 1 4 'Na Phosphate' . . . . . . buffer 25 . . mM . . . . 6695 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 6695 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH 6.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6695 1 temperature 313 0.1 K 6695 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6695 _Software.ID 1 _Software.Name X-WINNMR _Software.Version . _Software.Details . save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6695 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6695 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . 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 6695 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic probe head' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6695 _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 '1H-15N HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 2 'TROSY-1H-15N HSQC' no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 3 TROSY-HNCO no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 4 TROSY-HN(CA)CO no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 5 TROSY-HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 6 TROSY-HN(CO)CACB no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 7 CBCANH no 1 $1H15N_HSQC . . . . . . . . 1 $buffer . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6695 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6695 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 6695 _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 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6695 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6695 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6695 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_pH6.5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode pH6.5 _Assigned_chem_shift_list.Entry_ID 6695 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 $buffer isotropic 6695 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 $software_1 . . 6695 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE CA C 13 56.24 0.15 . 1 . . . . 1 ILE CA . 6695 1 2 . 1 1 1 1 ILE CB C 13 33.38 0.15 . 1 . . . . 1 ILE CB . 6695 1 3 . 1 1 2 2 ARG H H 1 8.55 0.04 . 1 . . . . 2 ARG H . 6695 1 4 . 1 1 2 2 ARG CA C 13 56.24 0.15 . 1 . . . . 2 ARG CA . 6695 1 5 . 1 1 2 2 ARG CB C 13 30.98 0.15 . 1 . . . . 2 ARG CB . 6695 1 6 . 1 1 2 2 ARG N N 15 123.39 0.1 . 1 . . . . 2 ARG N . 6695 1 7 . 1 1 3 3 ALA H H 1 8.52 0.04 . 1 . . . . 3 ALA H . 6695 1 8 . 1 1 3 3 ALA CA C 13 52.72 0.15 . 1 . . . . 3 ALA CA . 6695 1 9 . 1 1 3 3 ALA CB C 13 19.33 0.15 . 1 . . . . 3 ALA CB . 6695 1 10 . 1 1 3 3 ALA N N 15 126.55 0.1 . 1 . . . . 3 ALA N . 6695 1 11 . 1 1 4 4 GLN H H 1 8.4 0.04 . 1 . . . . 4 GLN H . 6695 1 12 . 1 1 4 4 GLN CA C 13 56.02 0.15 . 1 . . . . 4 GLN CA . 6695 1 13 . 1 1 4 4 GLN CB C 13 29.75 0.15 . 1 . . . . 4 GLN CB . 6695 1 14 . 1 1 4 4 GLN N N 15 119.8 0.1 . 1 . . . . 4 GLN N . 6695 1 15 . 1 1 5 5 ALA H H 1 8.42 0.04 . 1 . . . . 5 ALA H . 6695 1 16 . 1 1 5 5 ALA CA C 13 52.8 0.15 . 1 . . . . 5 ALA CA . 6695 1 17 . 1 1 5 5 ALA CB C 13 19.36 0.15 . 1 . . . . 5 ALA CB . 6695 1 18 . 1 1 5 5 ALA N N 15 125.73 0.1 . 1 . . . . 5 ALA N . 6695 1 19 . 1 1 6 6 SER H H 1 8.31 0.04 . 1 . . . . 6 SER H . 6695 1 20 . 1 1 6 6 SER CA C 13 58.41 0.15 . 1 . . . . 6 SER CA . 6695 1 21 . 1 1 6 6 SER CB C 13 64.09 0.15 . 1 . . . . 6 SER CB . 6695 1 22 . 1 1 6 6 SER N N 15 114.94 0.1 . 1 . . . . 6 SER N . 6695 1 23 . 1 1 7 7 ALA H H 1 8.36 0.04 . 1 . . . . 7 ALA H . 6695 1 24 . 1 1 7 7 ALA CA C 13 52.77 0.15 . 1 . . . . 7 ALA CA . 6695 1 25 . 1 1 7 7 ALA CB C 13 19.41 0.15 . 1 . . . . 7 ALA CB . 6695 1 26 . 1 1 7 7 ALA N N 15 126.05 0.1 . 1 . . . . 7 ALA N . 6695 1 27 . 1 1 8 8 VAL H H 1 8.07 0.04 . 1 . . . . 8 VAL H . 6695 1 28 . 1 1 8 8 VAL CA C 13 62.45 0.15 . 1 . . . . 8 VAL CA . 6695 1 29 . 1 1 8 8 VAL CB C 13 32.95 0.15 . 1 . . . . 8 VAL CB . 6695 1 30 . 1 1 8 8 VAL N N 15 118.64 0.1 . 1 . . . . 8 VAL N . 6695 1 31 . 1 1 9 9 GLU H H 1 8.41 0.04 . 1 . . . . 9 GLU H . 6695 1 32 . 1 1 9 9 GLU CA C 13 56.22 0.15 . 1 . . . . 9 GLU CA . 6695 1 33 . 1 1 9 9 GLU CB C 13 30.67 0.15 . 1 . . . . 9 GLU CB . 6695 1 34 . 1 1 9 9 GLU N N 15 124.73 0.1 . 1 . . . . 9 GLU N . 6695 1 35 . 1 1 10 10 ALA H H 1 8.38 0.04 . 1 . . . . 10 ALA H . 6695 1 36 . 1 1 10 10 ALA CA C 13 50.7 0.15 . 1 . . . . 10 ALA CA . 6695 1 37 . 1 1 10 10 ALA CB C 13 18.33 0.15 . 1 . . . . 10 ALA CB . 6695 1 38 . 1 1 10 10 ALA N N 15 126.87 0.1 . 1 . . . . 10 ALA N . 6695 1 39 . 1 1 11 11 PRO CA C 13 63.45 0.15 . 1 . . . . 11 PRO CA . 6695 1 40 . 1 1 11 11 PRO CB C 13 32.14 0.15 . 1 . . . . 11 PRO CB . 6695 1 41 . 1 1 12 12 ALA H H 1 8.5 0.04 . 1 . . . . 12 ALA H . 6695 1 42 . 1 1 12 12 ALA CA C 13 53.1 0.15 . 1 . . . . 12 ALA CA . 6695 1 43 . 1 1 12 12 ALA CB C 13 19.24 0.15 . 1 . . . . 12 ALA CB . 6695 1 44 . 1 1 12 12 ALA N N 15 123.91 0.1 . 1 . . . . 12 ALA N . 6695 1 45 . 1 1 13 13 THR H H 1 8.04 0.04 . 1 . . . . 13 THR H . 6695 1 46 . 1 1 13 13 THR CA C 13 62.09 0.15 . 1 . . . . 13 THR CA . 6695 1 47 . 1 1 13 13 THR CB C 13 69.92 0.15 . 1 . . . . 13 THR CB . 6695 1 48 . 1 1 13 13 THR N N 15 112.3 0.1 . 1 . . . . 13 THR N . 6695 1 49 . 1 1 14 14 ALA H H 1 8.25 0.04 . 1 . . . . 14 ALA H . 6695 1 50 . 1 1 14 14 ALA CA C 13 52.86 0.15 . 1 . . . . 14 ALA CA . 6695 1 51 . 1 1 14 14 ALA CB C 13 19.33 0.15 . 1 . . . . 14 ALA CB . 6695 1 52 . 1 1 14 14 ALA N N 15 126.13 0.1 . 1 . . . . 14 ALA N . 6695 1 53 . 1 1 15 15 LYS H H 1 8.22 0.04 . 1 . . . . 15 LYS H . 6695 1 54 . 1 1 15 15 LYS CA C 13 56.46 0.15 . 1 . . . . 15 LYS CA . 6695 1 55 . 1 1 15 15 LYS CB C 13 33.28 0.15 . 1 . . . . 15 LYS CB . 6695 1 56 . 1 1 15 15 LYS N N 15 120.4 0.1 . 1 . . . . 15 LYS N . 6695 1 57 . 1 1 16 16 ALA H H 1 8.23 0.04 . 1 . . . . 16 ALA H . 6695 1 58 . 1 1 16 16 ALA CA C 13 52.67 0.15 . 1 . . . . 16 ALA CA . 6695 1 59 . 1 1 16 16 ALA CB C 13 19.46 0.15 . 1 . . . . 16 ALA CB . 6695 1 60 . 1 1 16 16 ALA N N 15 124.97 0.1 . 1 . . . . 16 ALA N . 6695 1 61 . 1 1 17 17 LYS H H 1 8.29 0.04 . 1 . . . . 17 LYS H . 6695 1 62 . 1 1 17 17 LYS C C 13 176.56 0.1 . 1 . . . . 17 LYS C . 6695 1 63 . 1 1 17 17 LYS CA C 13 56.2 0.15 . 1 . . . . 17 LYS CA . 6695 1 64 . 1 1 17 17 LYS CB C 13 32.85 0.15 . 1 . . . . 17 LYS CB . 6695 1 65 . 1 1 17 17 LYS N N 15 121.06 0.1 . 1 . . . . 17 LYS N . 6695 1 66 . 1 1 18 18 LYS H H 1 8.25 0.02 . 1 . . . . 18 LYS H . 6695 1 67 . 1 1 18 18 LYS C C 13 176.1 0.1 . 1 . . . . 18 LYS C . 6695 1 68 . 1 1 18 18 LYS CA C 13 55.84 0.1 . 1 . . . . 18 LYS CA . 6695 1 69 . 1 1 18 18 LYS CB C 13 29.98 0.1 . 1 . . . . 18 LYS CB . 6695 1 70 . 1 1 18 18 LYS N N 15 122.22 0.05 . 1 . . . . 18 LYS N . 6695 1 71 . 1 1 19 19 GLU H H 1 8.36 0.02 . 1 . . . . 19 GLU H . 6695 1 72 . 1 1 19 19 GLU C C 13 176.06 0.1 . 1 . . . . 19 GLU C . 6695 1 73 . 1 1 19 19 GLU CA C 13 55.85 0.1 . 1 . . . . 19 GLU CA . 6695 1 74 . 1 1 19 19 GLU CB C 13 30.74 0.1 . 1 . . . . 19 GLU CB . 6695 1 75 . 1 1 19 19 GLU N N 15 123.6 0.05 . 1 . . . . 19 GLU N . 6695 1 76 . 1 1 20 20 SER H H 1 8.5 0.02 . 1 . . . . 20 SER H . 6695 1 77 . 1 1 20 20 SER C C 13 176.07 0.1 . 1 . . . . 20 SER C . 6695 1 78 . 1 1 20 20 SER CA C 13 57.52 0.1 . 1 . . . . 20 SER CA . 6695 1 79 . 1 1 20 20 SER CB C 13 63.97 0.1 . 1 . . . . 20 SER CB . 6695 1 80 . 1 1 20 20 SER N N 15 118.1 0.05 . 1 . . . . 20 SER N . 6695 1 81 . 1 1 21 21 LYS H H 1 9.11 0.02 . 1 . . . . 21 LYS H . 6695 1 82 . 1 1 21 21 LYS C C 13 177.87 0.1 . 1 . . . . 21 LYS C . 6695 1 83 . 1 1 21 21 LYS CA C 13 56.51 0.1 . 1 . . . . 21 LYS CA . 6695 1 84 . 1 1 21 21 LYS CB C 13 33.47 0.1 . 1 . . . . 21 LYS CB . 6695 1 85 . 1 1 21 21 LYS N N 15 124.17 0.05 . 1 . . . . 21 LYS N . 6695 1 86 . 1 1 22 22 LYS H H 1 8.59 0.02 . 1 . . . . 22 LYS H . 6695 1 87 . 1 1 22 22 LYS C C 13 176.59 0.1 . 1 . . . . 22 LYS C . 6695 1 88 . 1 1 22 22 LYS CA C 13 54.98 0.1 . 1 . . . . 22 LYS CA . 6695 1 89 . 1 1 22 22 LYS CB C 13 34.41 0.1 . 1 . . . . 22 LYS CB . 6695 1 90 . 1 1 22 22 LYS N N 15 121.79 0.05 . 1 . . . . 22 LYS N . 6695 1 91 . 1 1 23 23 GLN H H 1 8.28 0.02 . 1 . . . . 23 GLN H . 6695 1 92 . 1 1 23 23 GLN C C 13 174.59 0.1 . 1 . . . . 23 GLN C . 6695 1 93 . 1 1 23 23 GLN CA C 13 55.3 0.1 . 1 . . . . 23 GLN CA . 6695 1 94 . 1 1 23 23 GLN CB C 13 26.06 0.1 . 1 . . . . 23 GLN CB . 6695 1 95 . 1 1 23 23 GLN N N 15 120.79 0.05 . 1 . . . . 23 GLN N . 6695 1 96 . 1 1 24 24 GLU H H 1 7.98 0.02 . 1 . . . . 24 GLU H . 6695 1 97 . 1 1 24 24 GLU C C 13 177.38 0.1 . 1 . . . . 24 GLU C . 6695 1 98 . 1 1 24 24 GLU CA C 13 55.91 0.1 . 1 . . . . 24 GLU CA . 6695 1 99 . 1 1 24 24 GLU CB C 13 31.25 0.1 . 1 . . . . 24 GLU CB . 6695 1 100 . 1 1 24 24 GLU N N 15 121.95 0.05 . 1 . . . . 24 GLU N . 6695 1 101 . 1 1 25 25 GLU H H 1 8.63 0.02 . 1 . . . . 25 GLU H . 6695 1 102 . 1 1 25 25 GLU C C 13 178.04 0.1 . 1 . . . . 25 GLU C . 6695 1 103 . 1 1 25 25 GLU CA C 13 58.37 0.1 . 1 . . . . 25 GLU CA . 6695 1 104 . 1 1 25 25 GLU CB C 13 27.99 0.1 . 1 . . . . 25 GLU CB . 6695 1 105 . 1 1 25 25 GLU N N 15 124.1 0.05 . 1 . . . . 25 GLU N . 6695 1 106 . 1 1 26 26 GLY C C 13 174.07 0.1 . 1 . . . . 26 GLY C . 6695 1 107 . 1 1 26 26 GLY CA C 13 45.24 0.1 . 1 . . . . 26 GLY CA . 6695 1 108 . 1 1 27 27 VAL H H 1 7.3 0.02 . 1 . . . . 27 VAL H . 6695 1 109 . 1 1 27 27 VAL C C 13 174.93 0.1 . 1 . . . . 27 VAL C . 6695 1 110 . 1 1 27 27 VAL CA C 13 62.34 0.1 . 1 . . . . 27 VAL CA . 6695 1 111 . 1 1 27 27 VAL CB C 13 31.31 0.1 . 1 . . . . 27 VAL CB . 6695 1 112 . 1 1 27 27 VAL N N 15 120.91 0.05 . 1 . . . . 27 VAL N . 6695 1 113 . 1 1 28 28 VAL H H 1 9.39 0.02 . 1 . . . . 28 VAL H . 6695 1 114 . 1 1 28 28 VAL C C 13 175.07 0.1 . 1 . . . . 28 VAL C . 6695 1 115 . 1 1 28 28 VAL CA C 13 60.17 0.1 . 1 . . . . 28 VAL CA . 6695 1 116 . 1 1 28 28 VAL CB C 13 33.94 0.1 . 1 . . . . 28 VAL CB . 6695 1 117 . 1 1 28 28 VAL N N 15 128.96 0.05 . 1 . . . . 28 VAL N . 6695 1 118 . 1 1 29 29 THR H H 1 7.97 0.02 . 1 . . . . 29 THR H . 6695 1 119 . 1 1 29 29 THR C C 13 174.34 0.1 . 1 . . . . 29 THR C . 6695 1 120 . 1 1 29 29 THR CA C 13 58.18 0.1 . 1 . . . . 29 THR CA . 6695 1 121 . 1 1 29 29 THR CB C 13 72.03 0.1 . 1 . . . . 29 THR CB . 6695 1 122 . 1 1 29 29 THR N N 15 111.07 0.05 . 1 . . . . 29 THR N . 6695 1 123 . 1 1 30 30 ASN H H 1 9.38 0.02 . 1 . . . . 30 ASN H . 6695 1 124 . 1 1 30 30 ASN C C 13 173.4 0.1 . 1 . . . . 30 ASN C . 6695 1 125 . 1 1 30 30 ASN CA C 13 54.19 0.1 . 1 . . . . 30 ASN CA . 6695 1 126 . 1 1 30 30 ASN CB C 13 36.79 0.1 . 1 . . . . 30 ASN CB . 6695 1 127 . 1 1 30 30 ASN N N 15 114.21 0.05 . 1 . . . . 30 ASN N . 6695 1 128 . 1 1 31 31 LEU H H 1 6.8 0.02 . 1 . . . . 31 LEU H . 6695 1 129 . 1 1 31 31 LEU C C 13 177.22 0.1 . 1 . . . . 31 LEU C . 6695 1 130 . 1 1 31 31 LEU CA C 13 57.15 0.1 . 1 . . . . 31 LEU CA . 6695 1 131 . 1 1 31 31 LEU CB C 13 42.41 0.1 . 1 . . . . 31 LEU CB . 6695 1 132 . 1 1 31 31 LEU N N 15 119.64 0.05 . 1 . . . . 31 LEU N . 6695 1 133 . 1 1 32 32 TYR H H 1 8.3 0.02 . 1 . . . . 32 TYR H . 6695 1 134 . 1 1 32 32 TYR C C 13 176.11 0.1 . 1 . . . . 32 TYR C . 6695 1 135 . 1 1 32 32 TYR CA C 13 57.57 0.1 . 1 . . . . 32 TYR CA . 6695 1 136 . 1 1 32 32 TYR CB C 13 40.54 0.1 . 1 . . . . 32 TYR CB . 6695 1 137 . 1 1 32 32 TYR N N 15 115.52 0.05 . 1 . . . . 32 TYR N . 6695 1 138 . 1 1 33 33 LYS H H 1 8.98 0.02 . 1 . . . . 33 LYS H . 6695 1 139 . 1 1 33 33 LYS C C 13 174.83 0.1 . 1 . . . . 33 LYS C . 6695 1 140 . 1 1 33 33 LYS CA C 13 54.33 0.1 . 1 . . . . 33 LYS CA . 6695 1 141 . 1 1 33 33 LYS CB C 13 32.77 0.1 . 1 . . . . 33 LYS CB . 6695 1 142 . 1 1 33 33 LYS N N 15 127.25 0.05 . 1 . . . . 33 LYS N . 6695 1 143 . 1 1 34 34 PRO C C 13 176.24 0.1 . 1 . . . . 34 PRO C . 6695 1 144 . 1 1 34 34 PRO CA C 13 65.62 0.1 . 1 . . . . 34 PRO CA . 6695 1 145 . 1 1 34 34 PRO CB C 13 30.94 0.1 . 1 . . . . 34 PRO CB . 6695 1 146 . 1 1 35 35 LYS H H 1 7.35 0.02 . 1 . . . . 35 LYS H . 6695 1 147 . 1 1 35 35 LYS C C 13 176.93 0.1 . 1 . . . . 35 LYS C . 6695 1 148 . 1 1 35 35 LYS CA C 13 57.43 0.1 . 1 . . . . 35 LYS CA . 6695 1 149 . 1 1 35 35 LYS CB C 13 31.72 0.1 . 1 . . . . 35 LYS CB . 6695 1 150 . 1 1 35 35 LYS N N 15 112.15 0.05 . 1 . . . . 35 LYS N . 6695 1 151 . 1 1 36 36 GLU H H 1 7.46 0.02 . 1 . . . . 36 GLU H . 6695 1 152 . 1 1 36 36 GLU C C 13 171.86 0.1 . 1 . . . . 36 GLU C . 6695 1 153 . 1 1 36 36 GLU CA C 13 53.76 0.1 . 1 . . . . 36 GLU CA . 6695 1 154 . 1 1 36 36 GLU CB C 13 30.43 0.1 . 1 . . . . 36 GLU CB . 6695 1 155 . 1 1 36 36 GLU N N 15 117.68 0.05 . 1 . . . . 36 GLU N . 6695 1 156 . 1 1 37 37 PRO C C 13 176.23 0.1 . 1 . . . . 37 PRO C . 6695 1 157 . 1 1 37 37 PRO CA C 13 62.76 0.1 . 1 . . . . 37 PRO CA . 6695 1 158 . 1 1 37 37 PRO CB C 13 31.88 0.1 . 1 . . . . 37 PRO CB . 6695 1 159 . 1 1 38 38 TYR H H 1 8.74 0.02 . 1 . . . . 38 TYR H . 6695 1 160 . 1 1 38 38 TYR C C 13 174.32 0.1 . 1 . . . . 38 TYR C . 6695 1 161 . 1 1 38 38 TYR CA C 13 58.31 0.1 . 1 . . . . 38 TYR CA . 6695 1 162 . 1 1 38 38 TYR CB C 13 36.91 0.1 . 1 . . . . 38 TYR CB . 6695 1 163 . 1 1 38 38 TYR N N 15 122.47 0.05 . 1 . . . . 38 TYR N . 6695 1 164 . 1 1 39 39 VAL H H 1 6.77 0.02 . 1 . . . . 39 VAL H . 6695 1 165 . 1 1 39 39 VAL C C 13 175.45 0.1 . 1 . . . . 39 VAL C . 6695 1 166 . 1 1 39 39 VAL CA C 13 61.17 0.1 . 1 . . . . 39 VAL CA . 6695 1 167 . 1 1 39 39 VAL CB C 13 29.85 0.1 . 1 . . . . 39 VAL CB . 6695 1 168 . 1 1 39 39 VAL N N 15 127.63 0.05 . 1 . . . . 39 VAL N . 6695 1 169 . 1 1 40 40 GLY H H 1 8.54 0.02 . 1 . . . . 40 GLY H . 6695 1 170 . 1 1 40 40 GLY C C 13 172.46 0.1 . 1 . . . . 40 GLY C . 6695 1 171 . 1 1 40 40 GLY CA C 13 43.57 0.1 . 1 . . . . 40 GLY CA . 6695 1 172 . 1 1 40 40 GLY N N 15 115.32 0.05 . 1 . . . . 40 GLY N . 6695 1 173 . 1 1 41 41 ARG H H 1 7.23 0.02 . 1 . . . . 41 ARG H . 6695 1 174 . 1 1 41 41 ARG C C 13 176.14 0.1 . 1 . . . . 41 ARG C . 6695 1 175 . 1 1 41 41 ARG CA C 13 53.56 0.1 . 1 . . . . 41 ARG CA . 6695 1 176 . 1 1 41 41 ARG CB C 13 32.88 0.1 . 1 . . . . 41 ARG CB . 6695 1 177 . 1 1 41 41 ARG N N 15 116.12 0.05 . 1 . . . . 41 ARG N . 6695 1 178 . 1 1 42 42 CYS H H 1 9.24 0.02 . 1 . . . . 42 CYS H . 6695 1 179 . 1 1 42 42 CYS C C 13 174.59 0.1 . 1 . . . . 42 CYS C . 6695 1 180 . 1 1 42 42 CYS CA C 13 59.79 0.1 . 1 . . . . 42 CYS CA . 6695 1 181 . 1 1 42 42 CYS CB C 13 26.86 0.1 . 1 . . . . 42 CYS CB . 6695 1 182 . 1 1 42 42 CYS N N 15 123.61 0.05 . 1 . . . . 42 CYS N . 6695 1 183 . 1 1 43 43 LEU H H 1 9.9 0.02 . 1 . . . . 43 LEU H . 6695 1 184 . 1 1 43 43 LEU C C 13 176.22 0.1 . 1 . . . . 43 LEU C . 6695 1 185 . 1 1 43 43 LEU CA C 13 55.66 0.1 . 1 . . . . 43 LEU CA . 6695 1 186 . 1 1 43 43 LEU CB C 13 42.58 0.1 . 1 . . . . 43 LEU CB . 6695 1 187 . 1 1 43 43 LEU N N 15 132.46 0.05 . 1 . . . . 43 LEU N . 6695 1 188 . 1 1 44 44 LEU H H 1 7.57 0.02 . 1 . . . . 44 LEU H . 6695 1 189 . 1 1 44 44 LEU C C 13 174.53 0.1 . 1 . . . . 44 LEU C . 6695 1 190 . 1 1 44 44 LEU CA C 13 54.56 0.1 . 1 . . . . 44 LEU CA . 6695 1 191 . 1 1 44 44 LEU CB C 13 46.05 0.1 . 1 . . . . 44 LEU CB . 6695 1 192 . 1 1 44 44 LEU N N 15 119.23 0.05 . 1 . . . . 44 LEU N . 6695 1 193 . 1 1 45 45 ASN H H 1 8.53 0.02 . 1 . . . . 45 ASN H . 6695 1 194 . 1 1 45 45 ASN C C 13 174.93 0.1 . 1 . . . . 45 ASN C . 6695 1 195 . 1 1 45 45 ASN CA C 13 54.29 0.1 . 1 . . . . 45 ASN CA . 6695 1 196 . 1 1 45 45 ASN CB C 13 39.32 0.1 . 1 . . . . 45 ASN CB . 6695 1 197 . 1 1 45 45 ASN N N 15 122.41 0.05 . 1 . . . . 45 ASN N . 6695 1 198 . 1 1 46 46 THR H H 1 9.41 0.02 . 1 . . . . 46 THR H . 6695 1 199 . 1 1 46 46 THR C C 13 171.15 0.1 . 1 . . . . 46 THR C . 6695 1 200 . 1 1 46 46 THR CA C 13 60.51 0.1 . 1 . . . . 46 THR CA . 6695 1 201 . 1 1 46 46 THR CB C 13 71.61 0.1 . 1 . . . . 46 THR CB . 6695 1 202 . 1 1 46 46 THR N N 15 123.23 0.05 . 1 . . . . 46 THR N . 6695 1 203 . 1 1 47 47 LYS H H 1 8 0.02 . 1 . . . . 47 LYS H . 6695 1 204 . 1 1 47 47 LYS C C 13 177.74 0.1 . 1 . . . . 47 LYS C . 6695 1 205 . 1 1 47 47 LYS CA C 13 56.87 0.1 . 1 . . . . 47 LYS CA . 6695 1 206 . 1 1 47 47 LYS CB C 13 29.98 0.1 . 1 . . . . 47 LYS CB . 6695 1 207 . 1 1 47 47 LYS N N 15 132.3 0.05 . 1 . . . . 47 LYS N . 6695 1 208 . 1 1 48 48 ILE H H 1 8.67 0.02 . 1 . . . . 48 ILE H . 6695 1 209 . 1 1 48 48 ILE C C 13 175.93 0.1 . 1 . . . . 48 ILE C . 6695 1 210 . 1 1 48 48 ILE CA C 13 61.7 0.1 . 1 . . . . 48 ILE CA . 6695 1 211 . 1 1 48 48 ILE CB C 13 37.82 0.1 . 1 . . . . 48 ILE CB . 6695 1 212 . 1 1 48 48 ILE N N 15 121.35 0.05 . 1 . . . . 48 ILE N . 6695 1 213 . 1 1 49 49 THR H H 1 7.13 0.02 . 1 . . . . 49 THR H . 6695 1 214 . 1 1 49 49 THR C C 13 175.86 0.1 . 1 . . . . 49 THR C . 6695 1 215 . 1 1 49 49 THR CA C 13 59.23 0.1 . 1 . . . . 49 THR CA . 6695 1 216 . 1 1 49 49 THR CB C 13 70.03 0.1 . 1 . . . . 49 THR CB . 6695 1 217 . 1 1 49 49 THR N N 15 110.36 0.05 . 1 . . . . 49 THR N . 6695 1 218 . 1 1 50 50 GLY H H 1 8.46 0.02 . 1 . . . . 50 GLY H . 6695 1 219 . 1 1 50 50 GLY C C 13 176.07 0.1 . 1 . . . . 50 GLY C . 6695 1 220 . 1 1 50 50 GLY CA C 13 43.97 0.1 . 1 . . . . 50 GLY CA . 6695 1 221 . 1 1 50 50 GLY N N 15 106.76 0.05 . 1 . . . . 50 GLY N . 6695 1 222 . 1 1 51 51 ASP H H 1 8.7 0.02 . 1 . . . . 51 ASP H . 6695 1 223 . 1 1 51 51 ASP C C 13 174.36 0.1 . 1 . . . . 51 ASP C . 6695 1 224 . 1 1 51 51 ASP CA C 13 57.3 0.1 . 1 . . . . 51 ASP CA . 6695 1 225 . 1 1 51 51 ASP CB C 13 39.82 0.1 . 1 . . . . 51 ASP CB . 6695 1 226 . 1 1 51 51 ASP N N 15 122.22 0.05 . 1 . . . . 51 ASP N . 6695 1 227 . 1 1 52 52 ASP H H 1 8.42 0.02 . 1 . . . . 52 ASP H . 6695 1 228 . 1 1 52 52 ASP C C 13 175.77 0.1 . 1 . . . . 52 ASP C . 6695 1 229 . 1 1 52 52 ASP CA C 13 52.92 0.1 . 1 . . . . 52 ASP CA . 6695 1 230 . 1 1 52 52 ASP CB C 13 39.6 0.1 . 1 . . . . 52 ASP CB . 6695 1 231 . 1 1 52 52 ASP N N 15 115.96 0.05 . 1 . . . . 52 ASP N . 6695 1 232 . 1 1 53 53 ALA H H 1 7.22 0.02 . 1 . . . . 53 ALA H . 6695 1 233 . 1 1 53 53 ALA C C 13 176.86 0.1 . 1 . . . . 53 ALA C . 6695 1 234 . 1 1 53 53 ALA CA C 13 50.71 0.1 . 1 . . . . 53 ALA CA . 6695 1 235 . 1 1 53 53 ALA CB C 13 17.49 0.1 . 1 . . . . 53 ALA CB . 6695 1 236 . 1 1 53 53 ALA N N 15 124.04 0.05 . 1 . . . . 53 ALA N . 6695 1 237 . 1 1 54 54 PRO C C 13 176.18 0.1 . 1 . . . . 54 PRO C . 6695 1 238 . 1 1 54 54 PRO CA C 13 63.76 0.1 . 1 . . . . 54 PRO CA . 6695 1 239 . 1 1 54 54 PRO CB C 13 30.6 0.1 . 1 . . . . 54 PRO CB . 6695 1 240 . 1 1 55 55 GLY H H 1 7.47 0.02 . 1 . . . . 55 GLY H . 6695 1 241 . 1 1 55 55 GLY C C 13 172.72 0.1 . 1 . . . . 55 GLY C . 6695 1 242 . 1 1 55 55 GLY CA C 13 44.35 0.1 . 1 . . . . 55 GLY CA . 6695 1 243 . 1 1 55 55 GLY N N 15 106.49 0.05 . 1 . . . . 55 GLY N . 6695 1 244 . 1 1 56 56 GLU H H 1 9.07 0.02 . 1 . . . . 56 GLU H . 6695 1 245 . 1 1 56 56 GLU C C 13 175.94 0.1 . 1 . . . . 56 GLU C . 6695 1 246 . 1 1 56 56 GLU CA C 13 55.69 0.1 . 1 . . . . 56 GLU CA . 6695 1 247 . 1 1 56 56 GLU CB C 13 32.09 0.1 . 1 . . . . 56 GLU CB . 6695 1 248 . 1 1 56 56 GLU N N 15 124.38 0.05 . 1 . . . . 56 GLU N . 6695 1 249 . 1 1 57 57 THR H H 1 8.11 0.02 . 1 . . . . 57 THR H . 6695 1 250 . 1 1 57 57 THR C C 13 171.77 0.1 . 1 . . . . 57 THR C . 6695 1 251 . 1 1 57 57 THR CA C 13 61.91 0.1 . 1 . . . . 57 THR CA . 6695 1 252 . 1 1 57 57 THR CB C 13 69.93 0.1 . 1 . . . . 57 THR CB . 6695 1 253 . 1 1 57 57 THR N N 15 120.72 0.05 . 1 . . . . 57 THR N . 6695 1 254 . 1 1 58 58 TRP C C 13 173.73 0.1 . 1 . . . . 58 TRP C . 6695 1 255 . 1 1 58 58 TRP CA C 13 56.32 0.1 . 1 . . . . 58 TRP CA . 6695 1 256 . 1 1 58 58 TRP CB C 13 31.05 0.1 . 1 . . . . 58 TRP CB . 6695 1 257 . 1 1 59 59 HIS H H 1 9.42 0.02 . 1 . . . . 59 HIS H . 6695 1 258 . 1 1 59 59 HIS C C 13 173.83 0.1 . 1 . . . . 59 HIS C . 6695 1 259 . 1 1 59 59 HIS CA C 13 55.57 0.1 . 1 . . . . 59 HIS CA . 6695 1 260 . 1 1 59 59 HIS CB C 13 34.26 0.1 . 1 . . . . 59 HIS CB . 6695 1 261 . 1 1 59 59 HIS N N 15 122.68 0.05 . 1 . . . . 59 HIS N . 6695 1 262 . 1 1 60 60 MET H H 1 8.48 0.02 . 1 . . . . 60 MET H . 6695 1 263 . 1 1 60 60 MET C C 13 173.22 0.1 . 1 . . . . 60 MET C . 6695 1 264 . 1 1 60 60 MET CA C 13 52.09 0.1 . 1 . . . . 60 MET CA . 6695 1 265 . 1 1 60 60 MET CB C 13 34.61 0.1 . 1 . . . . 60 MET CB . 6695 1 266 . 1 1 60 60 MET N N 15 124.97 0.05 . 1 . . . . 60 MET N . 6695 1 267 . 1 1 61 61 VAL H H 1 8.18 0.02 . 1 . . . . 61 VAL H . 6695 1 268 . 1 1 61 61 VAL C C 13 175.62 0.1 . 1 . . . . 61 VAL C . 6695 1 269 . 1 1 61 61 VAL CA C 13 59.71 0.1 . 1 . . . . 61 VAL CA . 6695 1 270 . 1 1 61 61 VAL CB C 13 34.39 0.1 . 1 . . . . 61 VAL CB . 6695 1 271 . 1 1 61 61 VAL N N 15 118.68 0.05 . 1 . . . . 61 VAL N . 6695 1 272 . 1 1 62 62 PHE H H 1 9.51 0.02 . 1 . . . . 62 PHE H . 6695 1 273 . 1 1 62 62 PHE C C 13 176.15 0.1 . 1 . . . . 62 PHE C . 6695 1 274 . 1 1 62 62 PHE CA C 13 51.9 0.1 . 1 . . . . 62 PHE CA . 6695 1 275 . 1 1 62 62 PHE CB C 13 40.15 0.1 . 1 . . . . 62 PHE CB . 6695 1 276 . 1 1 62 62 PHE N N 15 126.39 0.05 . 1 . . . . 62 PHE N . 6695 1 277 . 1 1 63 63 SER H H 1 9.37 0.02 . 1 . . . . 63 SER H . 6695 1 278 . 1 1 63 63 SER C C 13 174.81 0.1 . 1 . . . . 63 SER C . 6695 1 279 . 1 1 63 63 SER CA C 13 57.73 0.1 . 1 . . . . 63 SER CA . 6695 1 280 . 1 1 63 63 SER CB C 13 64.43 0.1 . 1 . . . . 63 SER CB . 6695 1 281 . 1 1 63 63 SER N N 15 117.02 0.05 . 1 . . . . 63 SER N . 6695 1 282 . 1 1 64 64 THR H H 1 8.19 0.02 . 1 . . . . 64 THR H . 6695 1 283 . 1 1 64 64 THR C C 13 175.73 0.1 . 1 . . . . 64 THR C . 6695 1 284 . 1 1 64 64 THR CA C 13 59.99 0.1 . 1 . . . . 64 THR CA . 6695 1 285 . 1 1 64 64 THR CB C 13 70.77 0.1 . 1 . . . . 64 THR CB . 6695 1 286 . 1 1 64 64 THR N N 15 108.97 0.05 . 1 . . . . 64 THR N . 6695 1 287 . 1 1 65 65 GLU H H 1 8.09 0.02 . 1 . . . . 65 GLU H . 6695 1 288 . 1 1 65 65 GLU C C 13 175.94 0.1 . 1 . . . . 65 GLU C . 6695 1 289 . 1 1 65 65 GLU CA C 13 57.92 0.1 . 1 . . . . 65 GLU CA . 6695 1 290 . 1 1 65 65 GLU CB C 13 28.74 0.1 . 1 . . . . 65 GLU CB . 6695 1 291 . 1 1 65 65 GLU N N 15 113.25 0.05 . 1 . . . . 65 GLU N . 6695 1 292 . 1 1 66 66 GLY H H 1 8.22 0.02 . 1 . . . . 66 GLY H . 6695 1 293 . 1 1 66 66 GLY C C 13 176.17 0.1 . 1 . . . . 66 GLY C . 6695 1 294 . 1 1 66 66 GLY CA C 13 45.78 0.1 . 1 . . . . 66 GLY CA . 6695 1 295 . 1 1 66 66 GLY N N 15 107.54 0.05 . 1 . . . . 66 GLY N . 6695 1 296 . 1 1 67 67 LYS H H 1 8.22 0.02 . 1 . . . . 67 LYS H . 6695 1 297 . 1 1 67 67 LYS C C 13 175.52 0.1 . 1 . . . . 67 LYS C . 6695 1 298 . 1 1 67 67 LYS CA C 13 56.71 0.1 . 1 . . . . 67 LYS CA . 6695 1 299 . 1 1 67 67 LYS CB C 13 31.16 0.1 . 1 . . . . 67 LYS CB . 6695 1 300 . 1 1 67 67 LYS N N 15 118.11 0.05 . 1 . . . . 67 LYS N . 6695 1 301 . 1 1 68 68 ILE H H 1 6.29 0.02 . 1 . . . . 68 ILE H . 6695 1 302 . 1 1 68 68 ILE C C 13 173.26 0.1 . 1 . . . . 68 ILE C . 6695 1 303 . 1 1 68 68 ILE CA C 13 57.1 0.1 . 1 . . . . 68 ILE CA . 6695 1 304 . 1 1 68 68 ILE CB C 13 37.94 0.1 . 1 . . . . 68 ILE CB . 6695 1 305 . 1 1 68 68 ILE N N 15 113.52 0.05 . 1 . . . . 68 ILE N . 6695 1 306 . 1 1 69 69 PRO C C 13 174.99 0.1 . 1 . . . . 69 PRO C . 6695 1 307 . 1 1 69 69 PRO CA C 13 61.43 0.1 . 1 . . . . 69 PRO CA . 6695 1 308 . 1 1 69 69 PRO CB C 13 27.33 0.1 . 1 . . . . 69 PRO CB . 6695 1 309 . 1 1 70 70 TYR H H 1 7.67 0.02 . 1 . . . . 70 TYR H . 6695 1 310 . 1 1 70 70 TYR C C 13 173.28 0.1 . 1 . . . . 70 TYR C . 6695 1 311 . 1 1 70 70 TYR CA C 13 56.19 0.1 . 1 . . . . 70 TYR CA . 6695 1 312 . 1 1 70 70 TYR CB C 13 40.08 0.1 . 1 . . . . 70 TYR CB . 6695 1 313 . 1 1 70 70 TYR N N 15 120.13 0.05 . 1 . . . . 70 TYR N . 6695 1 314 . 1 1 71 71 ARG H H 1 8.94 0.02 . 1 . . . . 71 ARG H . 6695 1 315 . 1 1 71 71 ARG C C 13 173.98 0.1 . 1 . . . . 71 ARG C . 6695 1 316 . 1 1 71 71 ARG CA C 13 52.7 0.1 . 1 . . . . 71 ARG CA . 6695 1 317 . 1 1 71 71 ARG CB C 13 33.04 0.1 . 1 . . . . 71 ARG CB . 6695 1 318 . 1 1 71 71 ARG N N 15 119.85 0.05 . 1 . . . . 71 ARG N . 6695 1 319 . 1 1 72 72 GLU H H 1 9.03 0.02 . 1 . . . . 72 GLU H . 6695 1 320 . 1 1 72 72 GLU C C 13 176.76 0.1 . 1 . . . . 72 GLU C . 6695 1 321 . 1 1 72 72 GLU CA C 13 60.02 0.1 . 1 . . . . 72 GLU CA . 6695 1 322 . 1 1 72 72 GLU CB C 13 28.75 0.1 . 1 . . . . 72 GLU CB . 6695 1 323 . 1 1 72 72 GLU N N 15 121.04 0.05 . 1 . . . . 72 GLU N . 6695 1 324 . 1 1 73 73 GLY H H 1 8.46 0.02 . 1 . . . . 73 GLY H . 6695 1 325 . 1 1 73 73 GLY C C 13 176.88 0.1 . 1 . . . . 73 GLY C . 6695 1 326 . 1 1 73 73 GLY CA C 13 45.61 0.1 . 1 . . . . 73 GLY CA . 6695 1 327 . 1 1 73 73 GLY N N 15 111.23 0.05 . 1 . . . . 73 GLY N . 6695 1 328 . 1 1 74 74 GLN H H 1 7.83 0.02 . 1 . . . . 74 GLN H . 6695 1 329 . 1 1 74 74 GLN C C 13 175 0.1 . 1 . . . . 74 GLN C . 6695 1 330 . 1 1 74 74 GLN CA C 13 57.2 0.1 . 1 . . . . 74 GLN CA . 6695 1 331 . 1 1 74 74 GLN CB C 13 32.07 0.1 . 1 . . . . 74 GLN CB . 6695 1 332 . 1 1 74 74 GLN N N 15 117.16 0.05 . 1 . . . . 74 GLN N . 6695 1 333 . 1 1 75 75 SER H H 1 9.05 0.02 . 1 . . . . 75 SER H . 6695 1 334 . 1 1 75 75 SER C C 13 173.79 0.1 . 1 . . . . 75 SER C . 6695 1 335 . 1 1 75 75 SER CA C 13 58.21 0.1 . 1 . . . . 75 SER CA . 6695 1 336 . 1 1 75 75 SER CB C 13 66.15 0.1 . 1 . . . . 75 SER CB . 6695 1 337 . 1 1 75 75 SER N N 15 115.2 0.05 . 1 . . . . 75 SER N . 6695 1 338 . 1 1 76 76 ILE H H 1 8.58 0.02 . 1 . . . . 76 ILE H . 6695 1 339 . 1 1 76 76 ILE C C 13 173.95 0.1 . 1 . . . . 76 ILE C . 6695 1 340 . 1 1 76 76 ILE CA C 13 59.44 0.1 . 1 . . . . 76 ILE CA . 6695 1 341 . 1 1 76 76 ILE CB C 13 41.87 0.1 . 1 . . . . 76 ILE CB . 6695 1 342 . 1 1 76 76 ILE N N 15 114.98 0.05 . 1 . . . . 76 ILE N . 6695 1 343 . 1 1 77 77 GLY H H 1 8.42 0.02 . 1 . . . . 77 GLY H . 6695 1 344 . 1 1 77 77 GLY C C 13 173.3 0.1 . 1 . . . . 77 GLY C . 6695 1 345 . 1 1 77 77 GLY CA C 13 43.52 0.1 . 1 . . . . 77 GLY CA . 6695 1 346 . 1 1 77 77 GLY N N 15 109.12 0.05 . 1 . . . . 77 GLY N . 6695 1 347 . 1 1 78 78 VAL H H 1 8.71 0.02 . 1 . . . . 78 VAL H . 6695 1 348 . 1 1 78 78 VAL C C 13 176.38 0.1 . 1 . . . . 78 VAL C . 6695 1 349 . 1 1 78 78 VAL CA C 13 60.16 0.1 . 1 . . . . 78 VAL CA . 6695 1 350 . 1 1 78 78 VAL CB C 13 35.52 0.1 . 1 . . . . 78 VAL CB . 6695 1 351 . 1 1 78 78 VAL N N 15 119.94 0.05 . 1 . . . . 78 VAL N . 6695 1 352 . 1 1 79 79 ILE H H 1 7.83 0.02 . 1 . . . . 79 ILE H . 6695 1 353 . 1 1 79 79 ILE C C 13 174.31 0.1 . 1 . . . . 79 ILE C . 6695 1 354 . 1 1 79 79 ILE CA C 13 59.27 0.1 . 1 . . . . 79 ILE CA . 6695 1 355 . 1 1 79 79 ILE CB C 13 38.21 0.1 . 1 . . . . 79 ILE CB . 6695 1 356 . 1 1 79 79 ILE N N 15 129.59 0.05 . 1 . . . . 79 ILE N . 6695 1 357 . 1 1 80 80 ALA H H 1 8.68 0.02 . 1 . . . . 80 ALA H . 6695 1 358 . 1 1 80 80 ALA C C 13 175.32 0.1 . 1 . . . . 80 ALA C . 6695 1 359 . 1 1 80 80 ALA CA C 13 51.4 0.1 . 1 . . . . 80 ALA CA . 6695 1 360 . 1 1 80 80 ALA CB C 13 17.50 0.1 . 1 . . . . 80 ALA CB . 6695 1 361 . 1 1 80 80 ALA N N 15 130.92 0.05 . 1 . . . . 80 ALA N . 6695 1 362 . 1 1 81 81 ASP H H 1 4.34 0.02 . 1 . . . . 81 ASP H . 6695 1 363 . 1 1 81 81 ASP C C 13 176.21 0.1 . 1 . . . . 81 ASP C . 6695 1 364 . 1 1 81 81 ASP CA C 13 54.64 0.1 . 1 . . . . 81 ASP CA . 6695 1 365 . 1 1 81 81 ASP CB C 13 41.15 0.1 . 1 . . . . 81 ASP CB . 6695 1 366 . 1 1 81 81 ASP N N 15 118.32 0.05 . 1 . . . . 81 ASP N . 6695 1 367 . 1 1 82 82 GLY H H 1 8.29 0.02 . 1 . . . . 82 GLY H . 6695 1 368 . 1 1 82 82 GLY C C 13 173.83 0.1 . 1 . . . . 82 GLY C . 6695 1 369 . 1 1 82 82 GLY CA C 13 43.55 0.1 . 1 . . . . 82 GLY CA . 6695 1 370 . 1 1 82 82 GLY N N 15 106.01 0.05 . 1 . . . . 82 GLY N . 6695 1 371 . 1 1 83 83 VAL H H 1 7.86 0.02 . 1 . . . . 83 VAL H . 6695 1 372 . 1 1 83 83 VAL C C 13 175.02 0.1 . 1 . . . . 83 VAL C . 6695 1 373 . 1 1 83 83 VAL CA C 13 58.07 0.1 . 1 . . . . 83 VAL CA . 6695 1 374 . 1 1 83 83 VAL CB C 13 35.44 0.1 . 1 . . . . 83 VAL CB . 6695 1 375 . 1 1 83 83 VAL N N 15 112.65 0.05 . 1 . . . . 83 VAL N . 6695 1 376 . 1 1 84 84 ASP H H 1 8.61 0.02 . 1 . . . . 84 ASP H . 6695 1 377 . 1 1 84 84 ASP C C 13 178.53 0.1 . 1 . . . . 84 ASP C . 6695 1 378 . 1 1 84 84 ASP CA C 13 51.75 0.1 . 1 . . . . 84 ASP CA . 6695 1 379 . 1 1 84 84 ASP CB C 13 40.79 0.1 . 1 . . . . 84 ASP CB . 6695 1 380 . 1 1 84 84 ASP N N 15 121.48 0.05 . 1 . . . . 84 ASP N . 6695 1 381 . 1 1 85 85 LYS H H 1 8.24 0.02 . 1 . . . . 85 LYS H . 6695 1 382 . 1 1 85 85 LYS C C 13 176.94 0.1 . 1 . . . . 85 LYS C . 6695 1 383 . 1 1 85 85 LYS CA C 13 58.2 0.1 . 1 . . . . 85 LYS CA . 6695 1 384 . 1 1 85 85 LYS CB C 13 31.23 0.1 . 1 . . . . 85 LYS CB . 6695 1 385 . 1 1 85 85 LYS N N 15 117.13 0.05 . 1 . . . . 85 LYS N . 6695 1 386 . 1 1 86 86 ASN H H 1 8.19 0.02 . 1 . . . . 86 ASN H . 6695 1 387 . 1 1 86 86 ASN C C 13 175.49 0.1 . 1 . . . . 86 ASN C . 6695 1 388 . 1 1 86 86 ASN CA C 13 52.44 0.1 . 1 . . . . 86 ASN CA . 6695 1 389 . 1 1 86 86 ASN CB C 13 39.15 0.1 . 1 . . . . 86 ASN CB . 6695 1 390 . 1 1 86 86 ASN N N 15 116.89 0.05 . 1 . . . . 86 ASN N . 6695 1 391 . 1 1 87 87 GLY H H 1 8.15 0.02 . 1 . . . . 87 GLY H . 6695 1 392 . 1 1 87 87 GLY C C 13 173.84 0.1 . 1 . . . . 87 GLY C . 6695 1 393 . 1 1 87 87 GLY CA C 13 45.22 0.1 . 1 . . . . 87 GLY CA . 6695 1 394 . 1 1 87 87 GLY N N 15 109.05 0.05 . 1 . . . . 87 GLY N . 6695 1 395 . 1 1 88 88 LYS H H 1 8.05 0.02 . 1 . . . . 88 LYS H . 6695 1 396 . 1 1 88 88 LYS C C 13 173.15 0.1 . 1 . . . . 88 LYS C . 6695 1 397 . 1 1 88 88 LYS CA C 13 52.58 0.1 . 1 . . . . 88 LYS CA . 6695 1 398 . 1 1 88 88 LYS CB C 13 31.19 0.1 . 1 . . . . 88 LYS CB . 6695 1 399 . 1 1 88 88 LYS N N 15 122.31 0.05 . 1 . . . . 88 LYS N . 6695 1 400 . 1 1 89 89 PRO C C 13 176.86 0.1 . 1 . . . . 89 PRO C . 6695 1 401 . 1 1 89 89 PRO CA C 13 62.12 0.1 . 1 . . . . 89 PRO CA . 6695 1 402 . 1 1 89 89 PRO CB C 13 31.16 0.1 . 1 . . . . 89 PRO CB . 6695 1 403 . 1 1 90 90 HIS H H 1 8.25 0.02 . 1 . . . . 90 HIS H . 6695 1 404 . 1 1 90 90 HIS C C 13 175.71 0.1 . 1 . . . . 90 HIS C . 6695 1 405 . 1 1 90 90 HIS CA C 13 57.19 0.1 . 1 . . . . 90 HIS CA . 6695 1 406 . 1 1 90 90 HIS CB C 13 30.81 0.1 . 1 . . . . 90 HIS CB . 6695 1 407 . 1 1 90 90 HIS N N 15 122.77 0.05 . 1 . . . . 90 HIS N . 6695 1 408 . 1 1 91 91 LYS H H 1 8.16 0.02 . 1 . . . . 91 LYS H . 6695 1 409 . 1 1 91 91 LYS C C 13 178.03 0.1 . 1 . . . . 91 LYS C . 6695 1 410 . 1 1 91 91 LYS CA C 13 55.4 0.1 . 1 . . . . 91 LYS CA . 6695 1 411 . 1 1 91 91 LYS CB C 13 32.43 0.1 . 1 . . . . 91 LYS CB . 6695 1 412 . 1 1 91 91 LYS N N 15 119.86 0.05 . 1 . . . . 91 LYS N . 6695 1 413 . 1 1 92 92 VAL H H 1 8.41 0.02 . 1 . . . . 92 VAL H . 6695 1 414 . 1 1 92 92 VAL C C 13 176.12 0.1 . 1 . . . . 92 VAL C . 6695 1 415 . 1 1 92 92 VAL CA C 13 63.43 0.1 . 1 . . . . 92 VAL CA . 6695 1 416 . 1 1 92 92 VAL CB C 13 32.58 0.1 . 1 . . . . 92 VAL CB . 6695 1 417 . 1 1 92 92 VAL N N 15 125.39 0.05 . 1 . . . . 92 VAL N . 6695 1 418 . 1 1 93 93 ARG H H 1 7.8 0.02 . 1 . . . . 93 ARG H . 6695 1 419 . 1 1 93 93 ARG C C 13 174.65 0.1 . 1 . . . . 93 ARG C . 6695 1 420 . 1 1 93 93 ARG CA C 13 55.73 0.1 . 1 . . . . 93 ARG CA . 6695 1 421 . 1 1 93 93 ARG CB C 13 34.81 0.1 . 1 . . . . 93 ARG CB . 6695 1 422 . 1 1 93 93 ARG N N 15 127.56 0.05 . 1 . . . . 93 ARG N . 6695 1 423 . 1 1 94 94 LEU H H 1 7.37 0.02 . 1 . . . . 94 LEU H . 6695 1 424 . 1 1 94 94 LEU C C 13 174.86 0.1 . 1 . . . . 94 LEU C . 6695 1 425 . 1 1 94 94 LEU CA C 13 52.69 0.1 . 1 . . . . 94 LEU CA . 6695 1 426 . 1 1 94 94 LEU CB C 13 43.36 0.1 . 1 . . . . 94 LEU CB . 6695 1 427 . 1 1 94 94 LEU N N 15 118.49 0.05 . 1 . . . . 94 LEU N . 6695 1 428 . 1 1 95 95 TYR H H 1 8.55 0.02 . 1 . . . . 95 TYR H . 6695 1 429 . 1 1 95 95 TYR C C 13 174.12 0.1 . 1 . . . . 95 TYR C . 6695 1 430 . 1 1 95 95 TYR CA C 13 56.83 0.1 . 1 . . . . 95 TYR CA . 6695 1 431 . 1 1 95 95 TYR CB C 13 42.91 0.1 . 1 . . . . 95 TYR CB . 6695 1 432 . 1 1 95 95 TYR N N 15 115.78 0.05 . 1 . . . . 95 TYR N . 6695 1 433 . 1 1 96 96 SER H H 1 8.33 0.02 . 1 . . . . 96 SER H . 6695 1 434 . 1 1 96 96 SER C C 13 172.69 0.1 . 1 . . . . 96 SER C . 6695 1 435 . 1 1 96 96 SER CA C 13 59.51 0.1 . 1 . . . . 96 SER CA . 6695 1 436 . 1 1 96 96 SER CB C 13 64.2 0.1 . 1 . . . . 96 SER CB . 6695 1 437 . 1 1 96 96 SER N N 15 121.3 0.05 . 1 . . . . 96 SER N . 6695 1 438 . 1 1 97 97 ILE H H 1 8.23 0.02 . 1 . . . . 97 ILE H . 6695 1 439 . 1 1 97 97 ILE C C 13 175.67 0.1 . 1 . . . . 97 ILE C . 6695 1 440 . 1 1 97 97 ILE CA C 13 63.74 0.1 . 1 . . . . 97 ILE CA . 6695 1 441 . 1 1 97 97 ILE CB C 13 37.60 0.1 . 1 . . . . 97 ILE CB . 6695 1 442 . 1 1 97 97 ILE N N 15 124.99 0.05 . 1 . . . . 97 ILE N . 6695 1 443 . 1 1 98 98 ALA H H 1 8.2 0.02 . 1 . . . . 98 ALA H . 6695 1 444 . 1 1 98 98 ALA C C 13 175.46 0.1 . 1 . . . . 98 ALA C . 6695 1 445 . 1 1 98 98 ALA CA C 13 50.13 0.1 . 1 . . . . 98 ALA CA . 6695 1 446 . 1 1 98 98 ALA CB C 13 18.67 0.1 . 1 . . . . 98 ALA CB . 6695 1 447 . 1 1 98 98 ALA N N 15 127.15 0.05 . 1 . . . . 98 ALA N . 6695 1 448 . 1 1 99 99 SER H H 1 7.41 0.02 . 1 . . . . 99 SER H . 6695 1 449 . 1 1 99 99 SER C C 13 175.97 0.1 . 1 . . . . 99 SER C . 6695 1 450 . 1 1 99 99 SER CA C 13 53.75 0.1 . 1 . . . . 99 SER CA . 6695 1 451 . 1 1 99 99 SER CB C 13 65.87 0.1 . 1 . . . . 99 SER CB . 6695 1 452 . 1 1 99 99 SER N N 15 110.55 0.05 . 1 . . . . 99 SER N . 6695 1 453 . 1 1 100 100 SER H H 1 8.62 0.02 . 1 . . . . 100 SER H . 6695 1 454 . 1 1 100 100 SER C C 13 175.73 0.1 . 1 . . . . 100 SER C . 6695 1 455 . 1 1 100 100 SER CA C 13 57.8 0.1 . 1 . . . . 100 SER CA . 6695 1 456 . 1 1 100 100 SER CB C 13 63.56 0.1 . 1 . . . . 100 SER CB . 6695 1 457 . 1 1 100 100 SER N N 15 117.38 0.05 . 1 . . . . 100 SER N . 6695 1 458 . 1 1 101 101 ALA H H 1 9.25 0.02 . 1 . . . . 101 ALA H . 6695 1 459 . 1 1 101 101 ALA C C 13 179.85 0.1 . 1 . . . . 101 ALA C . 6695 1 460 . 1 1 101 101 ALA CA C 13 55.09 0.1 . 1 . . . . 101 ALA CA . 6695 1 461 . 1 1 101 101 ALA CB C 13 18.09 0.1 . 1 . . . . 101 ALA CB . 6695 1 462 . 1 1 101 101 ALA N N 15 124.76 0.05 . 1 . . . . 101 ALA N . 6695 1 463 . 1 1 102 102 ILE H H 1 7.73 0.02 . 1 . . . . 102 ILE H . 6695 1 464 . 1 1 102 102 ILE C C 13 178.83 0.1 . 1 . . . . 102 ILE C . 6695 1 465 . 1 1 102 102 ILE CA C 13 62.59 0.1 . 1 . . . . 102 ILE CA . 6695 1 466 . 1 1 102 102 ILE CB C 13 36.95 0.1 . 1 . . . . 102 ILE CB . 6695 1 467 . 1 1 102 102 ILE N N 15 113.76 0.05 . 1 . . . . 102 ILE N . 6695 1 468 . 1 1 103 103 GLY H H 1 7.89 0.02 . 1 . . . . 103 GLY H . 6695 1 469 . 1 1 103 103 GLY C C 13 175.47 0.1 . 1 . . . . 103 GLY C . 6695 1 470 . 1 1 103 103 GLY CA C 13 44.71 0.1 . 1 . . . . 103 GLY CA . 6695 1 471 . 1 1 103 103 GLY N N 15 113.08 0.05 . 1 . . . . 103 GLY N . 6695 1 472 . 1 1 104 104 ASP H H 1 9.67 0.02 . 1 . . . . 104 ASP H . 6695 1 473 . 1 1 104 104 ASP C C 13 177.49 0.1 . 1 . . . . 104 ASP C . 6695 1 474 . 1 1 104 104 ASP CA C 13 56.2 0.1 . 1 . . . . 104 ASP CA . 6695 1 475 . 1 1 104 104 ASP CB C 13 39.69 0.1 . 1 . . . . 104 ASP CB . 6695 1 476 . 1 1 104 104 ASP N N 15 119.94 0.05 . 1 . . . . 104 ASP N . 6695 1 477 . 1 1 105 105 PHE H H 1 7.45 0.02 . 1 . . . . 105 PHE H . 6695 1 478 . 1 1 105 105 PHE C C 13 177.18 0.1 . 1 . . . . 105 PHE C . 6695 1 479 . 1 1 105 105 PHE CA C 13 55.76 0.1 . 1 . . . . 105 PHE CA . 6695 1 480 . 1 1 105 105 PHE CB C 13 38.03 0.1 . 1 . . . . 105 PHE CB . 6695 1 481 . 1 1 105 105 PHE N N 15 114.61 0.05 . 1 . . . . 105 PHE N . 6695 1 482 . 1 1 106 106 GLY H H 1 7.84 0.02 . 1 . . . . 106 GLY H . 6695 1 483 . 1 1 106 106 GLY C C 13 174.23 0.1 . 1 . . . . 106 GLY C . 6695 1 484 . 1 1 106 106 GLY CA C 13 46.44 0.1 . 1 . . . . 106 GLY CA . 6695 1 485 . 1 1 106 106 GLY N N 15 107.78 0.05 . 1 . . . . 106 GLY N . 6695 1 486 . 1 1 107 107 ASP H H 1 7.21 0.02 . 1 . . . . 107 ASP H . 6695 1 487 . 1 1 107 107 ASP C C 13 176.26 0.1 . 1 . . . . 107 ASP C . 6695 1 488 . 1 1 107 107 ASP CA C 13 52.93 0.1 . 1 . . . . 107 ASP CA . 6695 1 489 . 1 1 107 107 ASP CB C 13 42.01 0.1 . 1 . . . . 107 ASP CB . 6695 1 490 . 1 1 107 107 ASP N N 15 117.15 0.05 . 1 . . . . 107 ASP N . 6695 1 491 . 1 1 108 108 SER H H 1 9.32 0.02 . 1 . . . . 108 SER H . 6695 1 492 . 1 1 108 108 SER C C 13 175.51 0.1 . 1 . . . . 108 SER C . 6695 1 493 . 1 1 108 108 SER CA C 13 59.72 0.1 . 1 . . . . 108 SER CA . 6695 1 494 . 1 1 108 108 SER CB C 13 61 0.1 . 1 . . . . 108 SER CB . 6695 1 495 . 1 1 108 108 SER N N 15 112.4 0.05 . 1 . . . . 108 SER N . 6695 1 496 . 1 1 109 109 LYS H H 1 7.79 0.02 . 1 . . . . 109 LYS H . 6695 1 497 . 1 1 109 109 LYS C C 13 177.21 0.1 . 1 . . . . 109 LYS C . 6695 1 498 . 1 1 109 109 LYS CA C 13 54.74 0.1 . 1 . . . . 109 LYS CA . 6695 1 499 . 1 1 109 109 LYS CB C 13 33.34 0.1 . 1 . . . . 109 LYS CB . 6695 1 500 . 1 1 109 109 LYS N N 15 113.9 0.05 . 1 . . . . 109 LYS N . 6695 1 501 . 1 1 110 110 THR H H 1 7.4 0.02 . 1 . . . . 110 THR H . 6695 1 502 . 1 1 110 110 THR C C 13 171.87 0.1 . 1 . . . . 110 THR C . 6695 1 503 . 1 1 110 110 THR CA C 13 60.27 0.1 . 1 . . . . 110 THR CA . 6695 1 504 . 1 1 110 110 THR CB C 13 73.18 0.1 . 1 . . . . 110 THR CB . 6695 1 505 . 1 1 110 110 THR N N 15 108.7 0.05 . 1 . . . . 110 THR N . 6695 1 506 . 1 1 111 111 VAL H H 1 8.87 0.02 . 1 . . . . 111 VAL H . 6695 1 507 . 1 1 111 111 VAL C C 13 171.69 0.1 . 1 . . . . 111 VAL C . 6695 1 508 . 1 1 111 111 VAL CA C 13 60.43 0.1 . 1 . . . . 111 VAL CA . 6695 1 509 . 1 1 111 111 VAL CB C 13 34.29 0.1 . 1 . . . . 111 VAL CB . 6695 1 510 . 1 1 111 111 VAL N N 15 117.94 0.05 . 1 . . . . 111 VAL N . 6695 1 511 . 1 1 114 114 CYS C C 13 174.59 0.1 . 1 . . . . 114 CYS C . 6695 1 512 . 1 1 114 114 CYS CA C 13 57.77 0.1 . 1 . . . . 114 CYS CA . 6695 1 513 . 1 1 114 114 CYS CB C 13 27.91 0.1 . 1 . . . . 114 CYS CB . 6695 1 514 . 1 1 115 115 VAL H H 1 9.32 0.02 . 1 . . . . 115 VAL H . 6695 1 515 . 1 1 115 115 VAL C C 13 174.44 0.1 . 1 . . . . 115 VAL C . 6695 1 516 . 1 1 115 115 VAL CA C 13 61.51 0.1 . 1 . . . . 115 VAL CA . 6695 1 517 . 1 1 115 115 VAL CB C 13 35.66 0.1 . 1 . . . . 115 VAL CB . 6695 1 518 . 1 1 115 115 VAL N N 15 127.19 0.05 . 1 . . . . 115 VAL N . 6695 1 519 . 1 1 116 116 LYS H H 1 8.03 0.02 . 1 . . . . 116 LYS H . 6695 1 520 . 1 1 116 116 LYS C C 13 176.86 0.1 . 1 . . . . 116 LYS C . 6695 1 521 . 1 1 116 116 LYS CA C 13 54.19 0.1 . 1 . . . . 116 LYS CA . 6695 1 522 . 1 1 116 116 LYS CB C 13 33.49 0.1 . 1 . . . . 116 LYS CB . 6695 1 523 . 1 1 116 116 LYS N N 15 128.61 0.05 . 1 . . . . 116 LYS N . 6695 1 524 . 1 1 117 117 ARG H H 1 9.04 0.02 . 1 . . . . 117 ARG H . 6695 1 525 . 1 1 117 117 ARG C C 13 175.22 0.1 . 1 . . . . 117 ARG C . 6695 1 526 . 1 1 117 117 ARG CA C 13 57.79 0.1 . 1 . . . . 117 ARG CA . 6695 1 527 . 1 1 117 117 ARG CB C 13 30.11 0.1 . 1 . . . . 117 ARG CB . 6695 1 528 . 1 1 117 117 ARG N N 15 129.63 0.05 . 1 . . . . 117 ARG N . 6695 1 529 . 1 1 118 118 LEU H H 1 8.66 0.02 . 1 . . . . 118 LEU H . 6695 1 530 . 1 1 118 118 LEU C C 13 175.46 0.1 . 1 . . . . 118 LEU C . 6695 1 531 . 1 1 118 118 LEU CA C 13 55.81 0.1 . 1 . . . . 118 LEU CA . 6695 1 532 . 1 1 118 118 LEU CB C 13 41.5 0.1 . 1 . . . . 118 LEU CB . 6695 1 533 . 1 1 118 118 LEU N N 15 133.1 0.05 . 1 . . . . 118 LEU N . 6695 1 534 . 1 1 119 119 ILE H H 1 8.31 0.02 . 1 . . . . 119 ILE H . 6695 1 535 . 1 1 119 119 ILE C C 13 174.46 0.1 . 1 . . . . 119 ILE C . 6695 1 536 . 1 1 119 119 ILE CA C 13 60.29 0.1 . 1 . . . . 119 ILE CA . 6695 1 537 . 1 1 119 119 ILE CB C 13 40.83 0.1 . 1 . . . . 119 ILE CB . 6695 1 538 . 1 1 119 119 ILE N N 15 132.2 0.05 . 1 . . . . 119 ILE N . 6695 1 539 . 1 1 120 120 TYR H H 1 8.79 0.02 . 1 . . . . 120 TYR H . 6695 1 540 . 1 1 120 120 TYR C C 13 172.05 0.1 . 1 . . . . 120 TYR C . 6695 1 541 . 1 1 120 120 TYR CA C 13 55.76 0.1 . 1 . . . . 120 TYR CA . 6695 1 542 . 1 1 120 120 TYR CB C 13 39.67 0.1 . 1 . . . . 120 TYR CB . 6695 1 543 . 1 1 120 120 TYR N N 15 125.04 0.05 . 1 . . . . 120 TYR N . 6695 1 544 . 1 1 121 121 THR H H 1 8.29 0.02 . 1 . . . . 121 THR H . 6695 1 545 . 1 1 121 121 THR C C 13 175.3 0.1 . 1 . . . . 121 THR C . 6695 1 546 . 1 1 121 121 THR CA C 13 60.26 0.1 . 1 . . . . 121 THR CA . 6695 1 547 . 1 1 121 121 THR CB C 13 69.64 0.1 . 1 . . . . 121 THR CB . 6695 1 548 . 1 1 121 121 THR N N 15 114.7 0.05 . 1 . . . . 121 THR N . 6695 1 549 . 1 1 122 122 ASN H H 1 8.75 0.02 . 1 . . . . 122 ASN H . 6695 1 550 . 1 1 122 122 ASN C C 13 177.36 0.1 . 1 . . . . 122 ASN C . 6695 1 551 . 1 1 122 122 ASN CA C 13 50.86 0.1 . 1 . . . . 122 ASN CA . 6695 1 552 . 1 1 122 122 ASN CB C 13 38.55 0.1 . 1 . . . . 122 ASN CB . 6695 1 553 . 1 1 122 122 ASN N N 15 125.13 0.05 . 1 . . . . 122 ASN N . 6695 1 554 . 1 1 123 123 ASP H H 1 8.44 0.02 . 1 . . . . 123 ASP H . 6695 1 555 . 1 1 123 123 ASP C C 13 176.59 0.1 . 1 . . . . 123 ASP C . 6695 1 556 . 1 1 123 123 ASP CA C 13 56.45 0.1 . 1 . . . . 123 ASP CA . 6695 1 557 . 1 1 123 123 ASP CB C 13 39.79 0.1 . 1 . . . . 123 ASP CB . 6695 1 558 . 1 1 123 123 ASP N N 15 118.56 0.05 . 1 . . . . 123 ASP N . 6695 1 559 . 1 1 124 124 ALA H H 1 7.51 0.02 . 1 . . . . 124 ALA H . 6695 1 560 . 1 1 124 124 ALA C C 13 177.78 0.1 . 1 . . . . 124 ALA C . 6695 1 561 . 1 1 124 124 ALA CA C 13 51.38 0.1 . 1 . . . . 124 ALA CA . 6695 1 562 . 1 1 124 124 ALA CB C 13 18.28 0.1 . 1 . . . . 124 ALA CB . 6695 1 563 . 1 1 124 124 ALA N N 15 121.3 0.05 . 1 . . . . 124 ALA N . 6695 1 564 . 1 1 125 125 GLY H H 1 8.11 0.02 . 1 . . . . 125 GLY H . 6695 1 565 . 1 1 125 125 GLY C C 13 174.16 0.1 . 1 . . . . 125 GLY C . 6695 1 566 . 1 1 125 125 GLY CA C 13 44.99 0.1 . 1 . . . . 125 GLY CA . 6695 1 567 . 1 1 125 125 GLY N N 15 107.78 0.05 . 1 . . . . 125 GLY N . 6695 1 568 . 1 1 126 126 GLU H H 1 7.86 0.02 . 1 . . . . 126 GLU H . 6695 1 569 . 1 1 126 126 GLU C C 13 175.23 0.1 . 1 . . . . 126 GLU C . 6695 1 570 . 1 1 126 126 GLU CA C 13 54.44 0.1 . 1 . . . . 126 GLU CA . 6695 1 571 . 1 1 126 126 GLU CB C 13 29.84 0.1 . 1 . . . . 126 GLU CB . 6695 1 572 . 1 1 126 126 GLU N N 15 121.42 0.05 . 1 . . . . 126 GLU N . 6695 1 573 . 1 1 127 127 ILE H H 1 8.18 0.02 . 1 . . . . 127 ILE H . 6695 1 574 . 1 1 127 127 ILE C C 13 175.84 0.1 . 1 . . . . 127 ILE C . 6695 1 575 . 1 1 127 127 ILE CA C 13 60.71 0.1 . 1 . . . . 127 ILE CA . 6695 1 576 . 1 1 127 127 ILE CB C 13 36.76 0.1 . 1 . . . . 127 ILE CB . 6695 1 577 . 1 1 127 127 ILE N N 15 123.05 0.05 . 1 . . . . 127 ILE N . 6695 1 578 . 1 1 128 128 VAL H H 1 9.09 0.02 . 1 . . . . 128 VAL H . 6695 1 579 . 1 1 128 128 VAL C C 13 173.68 0.1 . 1 . . . . 128 VAL C . 6695 1 580 . 1 1 128 128 VAL CA C 13 60.99 0.1 . 1 . . . . 128 VAL CA . 6695 1 581 . 1 1 128 128 VAL CB C 13 32.44 0.1 . 1 . . . . 128 VAL CB . 6695 1 582 . 1 1 128 128 VAL N N 15 131.66 0.05 . 1 . . . . 128 VAL N . 6695 1 583 . 1 1 129 129 LYS H H 1 7.93 0.02 . 1 . . . . 129 LYS H . 6695 1 584 . 1 1 129 129 LYS C C 13 177.87 0.1 . 1 . . . . 129 LYS C . 6695 1 585 . 1 1 129 129 LYS CA C 13 54.15 0.1 . 1 . . . . 129 LYS CA . 6695 1 586 . 1 1 129 129 LYS CB C 13 32.68 0.1 . 1 . . . . 129 LYS CB . 6695 1 587 . 1 1 129 129 LYS N N 15 123.13 0.05 . 1 . . . . 129 LYS N . 6695 1 588 . 1 1 130 130 GLY H H 1 8.71 0.02 . 1 . . . . 130 GLY H . 6695 1 589 . 1 1 130 130 GLY C C 13 176.46 0.1 . 1 . . . . 130 GLY C . 6695 1 590 . 1 1 130 130 GLY CA C 13 46.81 0.1 . 1 . . . . 130 GLY CA . 6695 1 591 . 1 1 130 130 GLY N N 15 113.32 0.05 . 1 . . . . 130 GLY N . 6695 1 592 . 1 1 131 131 VAL H H 1 8.88 0.02 . 1 . . . . 131 VAL H . 6695 1 593 . 1 1 131 131 VAL C C 13 178.01 0.1 . 1 . . . . 131 VAL C . 6695 1 594 . 1 1 131 131 VAL CA C 13 66.6 0.1 . 1 . . . . 131 VAL CA . 6695 1 595 . 1 1 131 131 VAL CB C 13 32.2 0.1 . 1 . . . . 131 VAL CB . 6695 1 596 . 1 1 131 131 VAL N N 15 127.89 0.05 . 1 . . . . 131 VAL N . 6695 1 597 . 1 1 132 132 CYS H H 1 10.81 0.02 . 1 . . . . 132 CYS H . 6695 1 598 . 1 1 132 132 CYS C C 13 177.1 0.1 . 1 . . . . 132 CYS C . 6695 1 599 . 1 1 132 132 CYS CA C 13 62.53 0.1 . 1 . . . . 132 CYS CA . 6695 1 600 . 1 1 132 132 CYS CB C 13 27.25 0.1 . 1 . . . . 132 CYS CB . 6695 1 601 . 1 1 132 132 CYS N N 15 125.67 0.05 . 1 . . . . 132 CYS N . 6695 1 602 . 1 1 133 133 SER H H 1 9.78 0.02 . 1 . . . . 133 SER H . 6695 1 603 . 1 1 133 133 SER C C 13 177.27 0.1 . 1 . . . . 133 SER C . 6695 1 604 . 1 1 133 133 SER CA C 13 62.36 0.1 . 1 . . . . 133 SER CA . 6695 1 605 . 1 1 133 133 SER N N 15 117.47 0.05 . 1 . . . . 133 SER N . 6695 1 606 . 1 1 135 135 PHE C C 13 176.36 0.1 . 1 . . . . 135 PHE C . 6695 1 607 . 1 1 135 135 PHE CA C 13 60.37 0.1 . 1 . . . . 135 PHE CA . 6695 1 608 . 1 1 136 136 LEU H H 1 6.78 0.02 . 1 . . . . 136 LEU H . 6695 1 609 . 1 1 136 136 LEU C C 13 177.97 0.1 . 1 . . . . 136 LEU C . 6695 1 610 . 1 1 136 136 LEU CA C 13 56.57 0.1 . 1 . . . . 136 LEU CA . 6695 1 611 . 1 1 136 136 LEU CB C 13 41.55 0.1 . 1 . . . . 136 LEU CB . 6695 1 612 . 1 1 136 136 LEU N N 15 124.03 0.05 . 1 . . . . 136 LEU N . 6695 1 613 . 1 1 137 137 CYS H H 1 7.5 0.02 . 1 . . . . 137 CYS H . 6695 1 614 . 1 1 137 137 CYS C C 13 173.26 0.1 . 1 . . . . 137 CYS C . 6695 1 615 . 1 1 137 137 CYS CA C 13 63.01 0.1 . 1 . . . . 137 CYS CA . 6695 1 616 . 1 1 137 137 CYS CB C 13 25 0.1 . 1 . . . . 137 CYS CB . 6695 1 617 . 1 1 137 137 CYS N N 15 113.68 0.05 . 1 . . . . 137 CYS N . 6695 1 618 . 1 1 138 138 ASP H H 1 6.82 0.02 . 1 . . . . 138 ASP H . 6695 1 619 . 1 1 138 138 ASP C C 13 176.62 0.1 . 1 . . . . 138 ASP C . 6695 1 620 . 1 1 138 138 ASP CA C 13 53.48 0.1 . 1 . . . . 138 ASP CA . 6695 1 621 . 1 1 138 138 ASP CB C 13 40.16 0.1 . 1 . . . . 138 ASP CB . 6695 1 622 . 1 1 138 138 ASP N N 15 115.49 0.05 . 1 . . . . 138 ASP N . 6695 1 623 . 1 1 139 139 LEU H H 1 6.89 0.02 . 1 . . . . 139 LEU H . 6695 1 624 . 1 1 139 139 LEU C C 13 177.23 0.1 . 1 . . . . 139 LEU C . 6695 1 625 . 1 1 139 139 LEU CA C 13 56.3 0.1 . 1 . . . . 139 LEU CA . 6695 1 626 . 1 1 139 139 LEU CB C 13 42.84 0.1 . 1 . . . . 139 LEU CB . 6695 1 627 . 1 1 139 139 LEU N N 15 123.6 0.05 . 1 . . . . 139 LEU N . 6695 1 628 . 1 1 140 140 GLN H H 1 8.67 0.02 . 1 . . . . 140 GLN H . 6695 1 629 . 1 1 140 140 GLN C C 13 173.84 0.1 . 1 . . . . 140 GLN C . 6695 1 630 . 1 1 140 140 GLN CA C 13 51.32 0.1 . 1 . . . . 140 GLN CA . 6695 1 631 . 1 1 140 140 GLN CB C 13 29.08 0.1 . 1 . . . . 140 GLN CB . 6695 1 632 . 1 1 140 140 GLN N N 15 120.8 0.05 . 1 . . . . 140 GLN N . 6695 1 633 . 1 1 141 141 PRO C C 13 177.44 0.1 . 1 . . . . 141 PRO C . 6695 1 634 . 1 1 141 141 PRO CA C 13 63.58 0.1 . 1 . . . . 141 PRO CA . 6695 1 635 . 1 1 141 141 PRO CB C 13 30.5 0.1 . 1 . . . . 141 PRO CB . 6695 1 636 . 1 1 142 142 GLY H H 1 9.4 0.02 . 1 . . . . 142 GLY H . 6695 1 637 . 1 1 142 142 GLY C C 13 174.46 0.1 . 1 . . . . 142 GLY C . 6695 1 638 . 1 1 142 142 GLY CA C 13 44.27 0.1 . 1 . . . . 142 GLY CA . 6695 1 639 . 1 1 142 142 GLY N N 15 114.84 0.05 . 1 . . . . 142 GLY N . 6695 1 640 . 1 1 143 143 ASP H H 1 8.2 0.02 . 1 . . . . 143 ASP H . 6695 1 641 . 1 1 143 143 ASP C C 13 175.69 0.1 . 1 . . . . 143 ASP C . 6695 1 642 . 1 1 143 143 ASP CA C 13 54.69 0.1 . 1 . . . . 143 ASP CA . 6695 1 643 . 1 1 143 143 ASP CB C 13 41.87 0.1 . 1 . . . . 143 ASP CB . 6695 1 644 . 1 1 143 143 ASP N N 15 122.68 0.05 . 1 . . . . 143 ASP N . 6695 1 645 . 1 1 144 144 ASN H H 1 8.4 0.02 . 1 . . . . 144 ASN H . 6695 1 646 . 1 1 144 144 ASN C C 13 174.81 0.1 . 1 . . . . 144 ASN C . 6695 1 647 . 1 1 144 144 ASN CA C 13 52.32 0.1 . 1 . . . . 144 ASN CA . 6695 1 648 . 1 1 144 144 ASN CB C 13 40.26 0.1 . 1 . . . . 144 ASN CB . 6695 1 649 . 1 1 144 144 ASN N N 15 118.74 0.05 . 1 . . . . 144 ASN N . 6695 1 650 . 1 1 145 145 VAL H H 1 8.03 0.02 . 1 . . . . 145 VAL H . 6695 1 651 . 1 1 145 145 VAL C C 13 172.93 0.1 . 1 . . . . 145 VAL C . 6695 1 652 . 1 1 145 145 VAL CA C 13 59.75 0.1 . 1 . . . . 145 VAL CA . 6695 1 653 . 1 1 145 145 VAL CB C 13 33.91 0.1 . 1 . . . . 145 VAL CB . 6695 1 654 . 1 1 145 145 VAL N N 15 118.26 0.05 . 1 . . . . 145 VAL N . 6695 1 655 . 1 1 146 146 GLN H H 1 8.87 0.02 . 1 . . . . 146 GLN H . 6695 1 656 . 1 1 146 146 GLN C C 13 174.32 0.1 . 1 . . . . 146 GLN C . 6695 1 657 . 1 1 146 146 GLN CA C 13 55.7 0.1 . 1 . . . . 146 GLN CA . 6695 1 658 . 1 1 146 146 GLN CB C 13 30.41 0.1 . 1 . . . . 146 GLN CB . 6695 1 659 . 1 1 146 146 GLN N N 15 127.25 0.05 . 1 . . . . 146 GLN N . 6695 1 660 . 1 1 147 147 ILE H H 1 9.25 0.02 . 1 . . . . 147 ILE H . 6695 1 661 . 1 1 147 147 ILE C C 13 174.82 0.1 . 1 . . . . 147 ILE C . 6695 1 662 . 1 1 147 147 ILE CA C 13 59.59 0.1 . 1 . . . . 147 ILE CA . 6695 1 663 . 1 1 147 147 ILE CB C 13 41.62 0.1 . 1 . . . . 147 ILE CB . 6695 1 664 . 1 1 147 147 ILE N N 15 123.83 0.05 . 1 . . . . 147 ILE N . 6695 1 665 . 1 1 148 148 THR H H 1 9.1 0.02 . 1 . . . . 148 THR H . 6695 1 666 . 1 1 148 148 THR C C 13 173.8 0.1 . 1 . . . . 148 THR C . 6695 1 667 . 1 1 148 148 THR CA C 13 59.13 0.1 . 1 . . . . 148 THR CA . 6695 1 668 . 1 1 148 148 THR CB C 13 69.15 0.1 . 1 . . . . 148 THR CB . 6695 1 669 . 1 1 148 148 THR N N 15 114.93 0.05 . 1 . . . . 148 THR N . 6695 1 670 . 1 1 149 149 GLY H H 1 8.75 0.02 . 1 . . . . 149 GLY H . 6695 1 671 . 1 1 149 149 GLY C C 13 173.51 0.1 . 1 . . . . 149 GLY C . 6695 1 672 . 1 1 149 149 GLY CA C 13 42.49 0.1 . 1 . . . . 149 GLY CA . 6695 1 673 . 1 1 149 149 GLY N N 15 104.87 0.05 . 1 . . . . 149 GLY N . 6695 1 674 . 1 1 150 150 PRO C C 13 174.61 0.1 . 1 . . . . 150 PRO C . 6695 1 675 . 1 1 150 150 PRO CA C 13 62.44 0.1 . 1 . . . . 150 PRO CA . 6695 1 676 . 1 1 150 150 PRO CB C 13 34.49 0.1 . 1 . . . . 150 PRO CB . 6695 1 677 . 1 1 151 151 VAL H H 1 9.37 0.02 . 1 . . . . 151 VAL H . 6695 1 678 . 1 1 151 151 VAL C C 13 175.59 0.1 . 1 . . . . 151 VAL C . 6695 1 679 . 1 1 151 151 VAL CA C 13 61.97 0.1 . 1 . . . . 151 VAL CA . 6695 1 680 . 1 1 151 151 VAL CB C 13 34.89 0.1 . 1 . . . . 151 VAL CB . 6695 1 681 . 1 1 151 151 VAL N N 15 119.69 0.05 . 1 . . . . 151 VAL N . 6695 1 682 . 1 1 152 152 GLY H H 1 8.33 0.02 . 1 . . . . 152 GLY H . 6695 1 683 . 1 1 152 152 GLY C C 13 173.27 0.1 . 1 . . . . 152 GLY C . 6695 1 684 . 1 1 152 152 GLY CA C 13 45.13 0.1 . 1 . . . . 152 GLY CA . 6695 1 685 . 1 1 152 152 GLY N N 15 114.17 0.05 . 1 . . . . 152 GLY N . 6695 1 686 . 1 1 153 153 LYS H H 1 8.18 0.02 . 1 . . . . 153 LYS H . 6695 1 687 . 1 1 153 153 LYS C C 13 173.3 0.1 . 1 . . . . 153 LYS C . 6695 1 688 . 1 1 153 153 LYS CA C 13 55.62 0.1 . 1 . . . . 153 LYS CA . 6695 1 689 . 1 1 153 153 LYS CB C 13 34.32 0.1 . 1 . . . . 153 LYS CB . 6695 1 690 . 1 1 153 153 LYS N N 15 117.18 0.05 . 1 . . . . 153 LYS N . 6695 1 691 . 1 1 154 154 GLU H H 1 8.41 0.02 . 1 . . . . 154 GLU H . 6695 1 692 . 1 1 154 154 GLU C C 13 178.29 0.1 . 1 . . . . 154 GLU C . 6695 1 693 . 1 1 154 154 GLU CA C 13 59.31 0.1 . 1 . . . . 154 GLU CA . 6695 1 694 . 1 1 154 154 GLU CB C 13 29.9 0.1 . 1 . . . . 154 GLU CB . 6695 1 695 . 1 1 154 154 GLU N N 15 122.46 0.05 . 1 . . . . 154 GLU N . 6695 1 696 . 1 1 155 155 MET H H 1 8.56 0.02 . 1 . . . . 155 MET H . 6695 1 697 . 1 1 155 155 MET C C 13 173.7 0.1 . 1 . . . . 155 MET C . 6695 1 698 . 1 1 155 155 MET CA C 13 52.59 0.1 . 1 . . . . 155 MET CA . 6695 1 699 . 1 1 155 155 MET CB C 13 29.4 0.1 . 1 . . . . 155 MET CB . 6695 1 700 . 1 1 155 155 MET N N 15 116.38 0.05 . 1 . . . . 155 MET N . 6695 1 701 . 1 1 156 156 LEU H H 1 6.18 0.02 . 1 . . . . 156 LEU H . 6695 1 702 . 1 1 156 156 LEU C C 13 177.6 0.1 . 1 . . . . 156 LEU C . 6695 1 703 . 1 1 156 156 LEU CA C 13 54.01 0.1 . 1 . . . . 156 LEU CA . 6695 1 704 . 1 1 156 156 LEU CB C 13 41.73 0.1 . 1 . . . . 156 LEU CB . 6695 1 705 . 1 1 156 156 LEU N N 15 113.69 0.05 . 1 . . . . 156 LEU N . 6695 1 706 . 1 1 157 157 MET H H 1 9.08 0.02 . 1 . . . . 157 MET H . 6695 1 707 . 1 1 157 157 MET C C 13 172.92 0.1 . 1 . . . . 157 MET C . 6695 1 708 . 1 1 157 157 MET CA C 13 55.37 0.1 . 1 . . . . 157 MET CA . 6695 1 709 . 1 1 157 157 MET CB C 13 31.47 0.1 . 1 . . . . 157 MET CB . 6695 1 710 . 1 1 157 157 MET N N 15 119.36 0.05 . 1 . . . . 157 MET N . 6695 1 711 . 1 1 158 158 PRO C C 13 175.87 0.1 . 1 . . . . 158 PRO C . 6695 1 712 . 1 1 158 158 PRO CA C 13 61.86 0.1 . 1 . . . . 158 PRO CA . 6695 1 713 . 1 1 158 158 PRO CB C 13 32.1 0.1 . 1 . . . . 158 PRO CB . 6695 1 714 . 1 1 159 159 LYS H H 1 8.53 0.02 . 1 . . . . 159 LYS H . 6695 1 715 . 1 1 159 159 LYS C C 13 176.96 0.1 . 1 . . . . 159 LYS C . 6695 1 716 . 1 1 159 159 LYS CA C 13 58.9 0.1 . 1 . . . . 159 LYS CA . 6695 1 717 . 1 1 159 159 LYS CB C 13 32.78 0.1 . 1 . . . . 159 LYS CB . 6695 1 718 . 1 1 159 159 LYS N N 15 124.6 0.05 . 1 . . . . 159 LYS N . 6695 1 719 . 1 1 160 160 ASP H H 1 7.57 0.02 . 1 . . . . 160 ASP H . 6695 1 720 . 1 1 160 160 ASP C C 13 176.37 0.1 . 1 . . . . 160 ASP C . 6695 1 721 . 1 1 160 160 ASP CA C 13 51.71 0.1 . 1 . . . . 160 ASP CA . 6695 1 722 . 1 1 160 160 ASP CB C 13 41.28 0.1 . 1 . . . . 160 ASP CB . 6695 1 723 . 1 1 160 160 ASP N N 15 116.56 0.05 . 1 . . . . 160 ASP N . 6695 1 724 . 1 1 161 161 PRO C C 13 174.2 0.1 . 1 . . . . 161 PRO C . 6695 1 725 . 1 1 161 161 PRO CA C 13 63.75 0.1 . 1 . . . . 161 PRO CA . 6695 1 726 . 1 1 161 161 PRO CB C 13 30.72 0.1 . 1 . . . . 161 PRO CB . 6695 1 727 . 1 1 162 162 ASN H H 1 8.56 0.02 . 1 . . . . 162 ASN H . 6695 1 728 . 1 1 162 162 ASN C C 13 174.47 0.1 . 1 . . . . 162 ASN C . 6695 1 729 . 1 1 162 162 ASN CA C 13 51.54 0.1 . 1 . . . . 162 ASN CA . 6695 1 730 . 1 1 162 162 ASN CB C 13 38.8 0.1 . 1 . . . . 162 ASN CB . 6695 1 731 . 1 1 162 162 ASN N N 15 117.89 0.05 . 1 . . . . 162 ASN N . 6695 1 732 . 1 1 163 163 ALA H H 1 6.92 0.02 . 1 . . . . 163 ALA H . 6695 1 733 . 1 1 163 163 ALA C C 13 176.75 0.1 . 1 . . . . 163 ALA C . 6695 1 734 . 1 1 163 163 ALA CA C 13 52.47 0.1 . 1 . . . . 163 ALA CA . 6695 1 735 . 1 1 163 163 ALA CB C 13 20.04 0.1 . 1 . . . . 163 ALA CB . 6695 1 736 . 1 1 163 163 ALA N N 15 122.43 0.05 . 1 . . . . 163 ALA N . 6695 1 737 . 1 1 164 164 THR H H 1 8.73 0.02 . 1 . . . . 164 THR H . 6695 1 738 . 1 1 164 164 THR C C 13 174.2 0.1 . 1 . . . . 164 THR C . 6695 1 739 . 1 1 164 164 THR CA C 13 61.75 0.1 . 1 . . . . 164 THR CA . 6695 1 740 . 1 1 164 164 THR CB C 13 68.11 0.1 . 1 . . . . 164 THR CB . 6695 1 741 . 1 1 164 164 THR N N 15 117.56 0.05 . 1 . . . . 164 THR N . 6695 1 742 . 1 1 165 165 ILE H H 1 9.77 0.02 . 1 . . . . 165 ILE H . 6695 1 743 . 1 1 165 165 ILE C C 13 174.44 0.1 . 1 . . . . 165 ILE C . 6695 1 744 . 1 1 165 165 ILE CA C 13 60.64 0.1 . 1 . . . . 165 ILE CA . 6695 1 745 . 1 1 165 165 ILE CB C 13 39.48 0.1 . 1 . . . . 165 ILE CB . 6695 1 746 . 1 1 165 165 ILE N N 15 129.02 0.05 . 1 . . . . 165 ILE N . 6695 1 747 . 1 1 166 166 ILE H H 1 9.4 0.02 . 1 . . . . 166 ILE H . 6695 1 748 . 1 1 166 166 ILE C C 13 174.2 0.1 . 1 . . . . 166 ILE C . 6695 1 749 . 1 1 166 166 ILE CA C 13 60.07 0.1 . 1 . . . . 166 ILE CA . 6695 1 750 . 1 1 166 166 ILE CB C 13 37.65 0.1 . 1 . . . . 166 ILE CB . 6695 1 751 . 1 1 166 166 ILE N N 15 130.01 0.05 . 1 . . . . 166 ILE N . 6695 1 752 . 1 1 167 167 MET H H 1 9.19 0.02 . 1 . . . . 167 MET H . 6695 1 753 . 1 1 167 167 MET C C 13 172.41 0.1 . 1 . . . . 167 MET C . 6695 1 754 . 1 1 167 167 MET CA C 13 53.89 0.1 . 1 . . . . 167 MET CA . 6695 1 755 . 1 1 167 167 MET CB C 13 34.3 0.1 . 1 . . . . 167 MET CB . 6695 1 756 . 1 1 167 167 MET N N 15 128.49 0.05 . 1 . . . . 167 MET N . 6695 1 757 . 1 1 168 168 LEU H H 1 8.76 0.02 . 1 . . . . 168 LEU H . 6695 1 758 . 1 1 168 168 LEU C C 13 173.71 0.1 . 1 . . . . 168 LEU C . 6695 1 759 . 1 1 168 168 LEU CA C 13 52.85 0.1 . 1 . . . . 168 LEU CA . 6695 1 760 . 1 1 168 168 LEU CB C 13 41.31 0.1 . 1 . . . . 168 LEU CB . 6695 1 761 . 1 1 168 168 LEU N N 15 123.3 0.05 . 1 . . . . 168 LEU N . 6695 1 762 . 1 1 169 169 ALA H H 1 9.04 0.02 . 1 . . . . 169 ALA H . 6695 1 763 . 1 1 169 169 ALA C C 13 177.34 0.1 . 1 . . . . 169 ALA C . 6695 1 764 . 1 1 169 169 ALA CA C 13 49.79 0.1 . 1 . . . . 169 ALA CA . 6695 1 765 . 1 1 169 169 ALA CB C 13 22.79 0.1 . 1 . . . . 169 ALA CB . 6695 1 766 . 1 1 169 169 ALA N N 15 126.66 0.05 . 1 . . . . 169 ALA N . 6695 1 767 . 1 1 170 170 THR H H 1 7.73 0.02 . 1 . . . . 170 THR H . 6695 1 768 . 1 1 170 170 THR C C 13 175.43 0.1 . 1 . . . . 170 THR C . 6695 1 769 . 1 1 170 170 THR CA C 13 58.47 0.1 . 1 . . . . 170 THR CA . 6695 1 770 . 1 1 170 170 THR CB C 13 71.98 0.1 . 1 . . . . 170 THR CB . 6695 1 771 . 1 1 170 170 THR N N 15 108.18 0.05 . 1 . . . . 170 THR N . 6695 1 772 . 1 1 171 171 GLY H H 1 7.79 0.02 . 1 . . . . 171 GLY H . 6695 1 773 . 1 1 171 171 GLY C C 13 174.21 0.1 . 1 . . . . 171 GLY C . 6695 1 774 . 1 1 171 171 GLY CA C 13 47.27 0.1 . 1 . . . . 171 GLY CA . 6695 1 775 . 1 1 171 171 GLY N N 15 109.83 0.05 . 1 . . . . 171 GLY N . 6695 1 776 . 1 1 172 172 THR H H 1 8.05 0.02 . 1 . . . . 172 THR H . 6695 1 777 . 1 1 172 172 THR C C 13 176.24 0.1 . 1 . . . . 172 THR C . 6695 1 778 . 1 1 172 172 THR CA C 13 64.42 0.1 . 1 . . . . 172 THR CA . 6695 1 779 . 1 1 172 172 THR CB C 13 69.16 0.1 . 1 . . . . 172 THR CB . 6695 1 780 . 1 1 172 172 THR N N 15 114.48 0.05 . 1 . . . . 172 THR N . 6695 1 781 . 1 1 173 173 GLY H H 1 9.14 0.02 . 1 . . . . 173 GLY H . 6695 1 782 . 1 1 173 173 GLY C C 13 171.86 0.1 . 1 . . . . 173 GLY C . 6695 1 783 . 1 1 173 173 GLY CA C 13 46.15 0.1 . 1 . . . . 173 GLY CA . 6695 1 784 . 1 1 173 173 GLY N N 15 115.04 0.05 . 1 . . . . 173 GLY N . 6695 1 785 . 1 1 174 174 ILE H H 1 7.66 0.02 . 1 . . . . 174 ILE H . 6695 1 786 . 1 1 174 174 ILE C C 13 176.45 0.1 . 1 . . . . 174 ILE C . 6695 1 787 . 1 1 174 174 ILE CA C 13 57.55 0.1 . 1 . . . . 174 ILE CA . 6695 1 788 . 1 1 174 174 ILE CB C 13 38.01 0.1 . 1 . . . . 174 ILE CB . 6695 1 789 . 1 1 174 174 ILE N N 15 114.71 0.05 . 1 . . . . 174 ILE N . 6695 1 790 . 1 1 175 175 ALA H H 1 7.98 0.02 . 1 . . . . 175 ALA H . 6695 1 791 . 1 1 175 175 ALA C C 13 174.03 0.1 . 1 . . . . 175 ALA C . 6695 1 792 . 1 1 175 175 ALA CA C 13 57.28 0.1 . 1 . . . . 175 ALA CA . 6695 1 793 . 1 1 175 175 ALA CB C 13 16.98 0.1 . 1 . . . . 175 ALA CB . 6695 1 794 . 1 1 175 175 ALA N N 15 124.89 0.05 . 1 . . . . 175 ALA N . 6695 1 795 . 1 1 176 176 PRO C C 13 176.65 0.1 . 1 . . . . 176 PRO C . 6695 1 796 . 1 1 176 176 PRO CA C 13 64.87 0.1 . 1 . . . . 176 PRO CA . 6695 1 797 . 1 1 176 176 PRO CB C 13 28.7 0.1 . 1 . . . . 176 PRO CB . 6695 1 798 . 1 1 177 177 PHE H H 1 6.37 0.02 . 1 . . . . 177 PHE H . 6695 1 799 . 1 1 177 177 PHE C C 13 177.66 0.1 . 1 . . . . 177 PHE C . 6695 1 800 . 1 1 177 177 PHE CA C 13 56.35 0.1 . 1 . . . . 177 PHE CA . 6695 1 801 . 1 1 177 177 PHE CB C 13 35.88 0.1 . 1 . . . . 177 PHE CB . 6695 1 802 . 1 1 177 177 PHE N N 15 118.55 0.05 . 1 . . . . 177 PHE N . 6695 1 803 . 1 1 178 178 ARG H H 1 8.27 0.02 . 1 . . . . 178 ARG H . 6695 1 804 . 1 1 178 178 ARG C C 13 177.16 0.1 . 1 . . . . 178 ARG C . 6695 1 805 . 1 1 178 178 ARG CA C 13 61.49 0.1 . 1 . . . . 178 ARG CA . 6695 1 806 . 1 1 178 178 ARG CB C 13 28.67 0.1 . 1 . . . . 178 ARG CB . 6695 1 807 . 1 1 178 178 ARG N N 15 123.6 0.05 . 1 . . . . 178 ARG N . 6695 1 808 . 1 1 179 179 SER H H 1 6.84 0.02 . 1 . . . . 179 SER H . 6695 1 809 . 1 1 179 179 SER C C 13 176.45 0.1 . 1 . . . . 179 SER C . 6695 1 810 . 1 1 179 179 SER CA C 13 62.05 0.1 . 1 . . . . 179 SER CA . 6695 1 811 . 1 1 179 179 SER CB C 13 63.52 0.1 . 1 . . . . 179 SER CB . 6695 1 812 . 1 1 179 179 SER N N 15 112.63 0.05 . 1 . . . . 179 SER N . 6695 1 813 . 1 1 180 180 PHE H H 1 8.39 0.02 . 1 . . . . 180 PHE H . 6695 1 814 . 1 1 180 180 PHE C C 13 178.65 0.1 . 1 . . . . 180 PHE C . 6695 1 815 . 1 1 180 180 PHE CA C 13 58.37 0.1 . 1 . . . . 180 PHE CA . 6695 1 816 . 1 1 180 180 PHE CB C 13 39 0.1 . 1 . . . . 180 PHE CB . 6695 1 817 . 1 1 180 180 PHE N N 15 116.9 0.05 . 1 . . . . 180 PHE N . 6695 1 818 . 1 1 181 181 LEU H H 1 8.76 0.02 . 1 . . . . 181 LEU H . 6695 1 819 . 1 1 181 181 LEU C C 13 180.2 0.1 . 1 . . . . 181 LEU C . 6695 1 820 . 1 1 181 181 LEU CA C 13 57.47 0.1 . 1 . . . . 181 LEU CA . 6695 1 821 . 1 1 181 181 LEU CB C 13 40.43 0.1 . 1 . . . . 181 LEU CB . 6695 1 822 . 1 1 181 181 LEU N N 15 118.54 0.05 . 1 . . . . 181 LEU N . 6695 1 823 . 1 1 182 182 TRP H H 1 8.89 0.02 . 1 . . . . 182 TRP H . 6695 1 824 . 1 1 182 182 TRP N N 15 122.85 0.05 . 1 . . . . 182 TRP N . 6695 1 825 . 1 1 183 183 LYS C C 13 177.97 0.1 . 1 . . . . 183 LYS C . 6695 1 826 . 1 1 183 183 LYS CA C 13 59.44 0.1 . 1 . . . . 183 LYS CA . 6695 1 827 . 1 1 183 183 LYS CB C 13 30.56 0.1 . 1 . . . . 183 LYS CB . 6695 1 828 . 1 1 184 184 MET H H 1 8.35 0.02 . 1 . . . . 184 MET H . 6695 1 829 . 1 1 184 184 MET C C 13 178.49 0.1 . 1 . . . . 184 MET C . 6695 1 830 . 1 1 184 184 MET CA C 13 59.34 0.1 . 1 . . . . 184 MET CA . 6695 1 831 . 1 1 184 184 MET CB C 13 35.09 0.1 . 1 . . . . 184 MET CB . 6695 1 832 . 1 1 184 184 MET N N 15 114.48 0.05 . 1 . . . . 184 MET N . 6695 1 833 . 1 1 185 185 PHE H H 1 8.41 0.02 . 1 . . . . 185 PHE H . 6695 1 834 . 1 1 185 185 PHE C C 13 176.68 0.1 . 1 . . . . 185 PHE C . 6695 1 835 . 1 1 185 185 PHE CA C 13 58.26 0.1 . 1 . . . . 185 PHE CA . 6695 1 836 . 1 1 185 185 PHE CB C 13 40.83 0.1 . 1 . . . . 185 PHE CB . 6695 1 837 . 1 1 185 185 PHE N N 15 111.9 0.05 . 1 . . . . 185 PHE N . 6695 1 838 . 1 1 186 186 PHE H H 1 8.1 0.02 . 1 . . . . 186 PHE H . 6695 1 839 . 1 1 186 186 PHE C C 13 176.19 0.1 . 1 . . . . 186 PHE C . 6695 1 840 . 1 1 186 186 PHE CA C 13 53.64 0.1 . 1 . . . . 186 PHE CA . 6695 1 841 . 1 1 186 186 PHE CB C 13 38.89 0.1 . 1 . . . . 186 PHE CB . 6695 1 842 . 1 1 186 186 PHE N N 15 117.62 0.05 . 1 . . . . 186 PHE N . 6695 1 843 . 1 1 187 187 GLU H H 1 7.15 0.02 . 1 . . . . 187 GLU H . 6695 1 844 . 1 1 187 187 GLU C C 13 175.18 0.1 . 1 . . . . 187 GLU C . 6695 1 845 . 1 1 187 187 GLU CA C 13 54.57 0.1 . 1 . . . . 187 GLU CA . 6695 1 846 . 1 1 187 187 GLU CB C 13 33.21 0.1 . 1 . . . . 187 GLU CB . 6695 1 847 . 1 1 187 187 GLU N N 15 118.96 0.05 . 1 . . . . 187 GLU N . 6695 1 848 . 1 1 188 188 LYS H H 1 8.27 0.02 . 1 . . . . 188 LYS H . 6695 1 849 . 1 1 188 188 LYS C C 13 175.15 0.1 . 1 . . . . 188 LYS C . 6695 1 850 . 1 1 188 188 LYS CA C 13 54.8 0.1 . 1 . . . . 188 LYS CA . 6695 1 851 . 1 1 188 188 LYS CB C 13 32.67 0.1 . 1 . . . . 188 LYS CB . 6695 1 852 . 1 1 188 188 LYS N N 15 122.59 0.05 . 1 . . . . 188 LYS N . 6695 1 853 . 1 1 189 189 HIS H H 1 9.03 0.02 . 1 . . . . 189 HIS H . 6695 1 854 . 1 1 189 189 HIS C C 13 175.45 0.1 . 1 . . . . 189 HIS C . 6695 1 855 . 1 1 189 189 HIS CA C 13 54.51 0.1 . 1 . . . . 189 HIS CA . 6695 1 856 . 1 1 189 189 HIS CB C 13 31.52 0.1 . 1 . . . . 189 HIS CB . 6695 1 857 . 1 1 189 189 HIS N N 15 124.11 0.05 . 1 . . . . 189 HIS N . 6695 1 858 . 1 1 190 190 ASP C C 13 176.48 0.1 . 1 . . . . 190 ASP C . 6695 1 859 . 1 1 190 190 ASP CA C 13 56.57 0.1 . 1 . . . . 190 ASP CA . 6695 1 860 . 1 1 190 190 ASP CB C 13 40.07 0.1 . 1 . . . . 190 ASP CB . 6695 1 861 . 1 1 191 191 ASP H H 1 8.56 0.02 . 1 . . . . 191 ASP H . 6695 1 862 . 1 1 191 191 ASP C C 13 175.65 0.1 . 1 . . . . 191 ASP C . 6695 1 863 . 1 1 191 191 ASP CA C 13 52.53 0.1 . 1 . . . . 191 ASP CA . 6695 1 864 . 1 1 191 191 ASP CB C 13 40.04 0.1 . 1 . . . . 191 ASP CB . 6695 1 865 . 1 1 191 191 ASP N N 15 114.43 0.05 . 1 . . . . 191 ASP N . 6695 1 866 . 1 1 192 192 TYR H H 1 7.21 0.02 . 1 . . . . 192 TYR H . 6695 1 867 . 1 1 192 192 TYR C C 13 171.69 0.1 . 1 . . . . 192 TYR C . 6695 1 868 . 1 1 192 192 TYR CA C 13 59.36 0.1 . 1 . . . . 192 TYR CA . 6695 1 869 . 1 1 192 192 TYR CB C 13 39.44 0.1 . 1 . . . . 192 TYR CB . 6695 1 870 . 1 1 192 192 TYR N N 15 121.27 0.05 . 1 . . . . 192 TYR N . 6695 1 871 . 1 1 193 193 LYS H H 1 7.92 0.02 . 1 . . . . 193 LYS H . 6695 1 872 . 1 1 193 193 LYS C C 13 174.14 0.1 . 1 . . . . 193 LYS C . 6695 1 873 . 1 1 193 193 LYS CA C 13 53.95 0.1 . 1 . . . . 193 LYS CA . 6695 1 874 . 1 1 193 193 LYS CB C 13 31.85 0.1 . 1 . . . . 193 LYS CB . 6695 1 875 . 1 1 193 193 LYS N N 15 129.56 0.05 . 1 . . . . 193 LYS N . 6695 1 876 . 1 1 194 194 PHE H H 1 8.87 0.02 . 1 . . . . 194 PHE H . 6695 1 877 . 1 1 194 194 PHE C C 13 175.94 0.1 . 1 . . . . 194 PHE C . 6695 1 878 . 1 1 194 194 PHE CA C 13 59.28 0.1 . 1 . . . . 194 PHE CA . 6695 1 879 . 1 1 194 194 PHE CB C 13 38.82 0.1 . 1 . . . . 194 PHE CB . 6695 1 880 . 1 1 194 194 PHE N N 15 126.25 0.05 . 1 . . . . 194 PHE N . 6695 1 881 . 1 1 195 195 ASN H H 1 8.14 0.02 . 1 . . . . 195 ASN H . 6695 1 882 . 1 1 195 195 ASN C C 13 174.2 0.1 . 1 . . . . 195 ASN C . 6695 1 883 . 1 1 195 195 ASN CA C 13 51.58 0.1 . 1 . . . . 195 ASN CA . 6695 1 884 . 1 1 195 195 ASN CB C 13 39.79 0.1 . 1 . . . . 195 ASN CB . 6695 1 885 . 1 1 195 195 ASN N N 15 126.73 0.05 . 1 . . . . 195 ASN N . 6695 1 886 . 1 1 196 196 GLY H H 1 8.18 0.02 . 1 . . . . 196 GLY H . 6695 1 887 . 1 1 196 196 GLY C C 13 173.76 0.1 . 1 . . . . 196 GLY C . 6695 1 888 . 1 1 196 196 GLY CA C 13 43.54 0.1 . 1 . . . . 196 GLY CA . 6695 1 889 . 1 1 196 196 GLY N N 15 107.12 0.05 . 1 . . . . 196 GLY N . 6695 1 890 . 1 1 197 197 LEU H H 1 7.85 0.02 . 1 . . . . 197 LEU H . 6695 1 891 . 1 1 197 197 LEU C C 13 174.93 0.1 . 1 . . . . 197 LEU C . 6695 1 892 . 1 1 197 197 LEU CA C 13 53.31 0.1 . 1 . . . . 197 LEU CA . 6695 1 893 . 1 1 197 197 LEU CB C 13 44.73 0.1 . 1 . . . . 197 LEU CB . 6695 1 894 . 1 1 197 197 LEU N N 15 126.04 0.05 . 1 . . . . 197 LEU N . 6695 1 895 . 1 1 198 198 GLY H H 1 9.56 0.02 . 1 . . . . 198 GLY H . 6695 1 896 . 1 1 198 198 GLY C C 13 170.21 0.1 . 1 . . . . 198 GLY C . 6695 1 897 . 1 1 198 198 GLY CA C 13 44.33 0.1 . 1 . . . . 198 GLY CA . 6695 1 898 . 1 1 198 198 GLY N N 15 116 0.05 . 1 . . . . 198 GLY N . 6695 1 899 . 1 1 199 199 TRP H H 1 9.32 0.02 . 1 . . . . 199 TRP H . 6695 1 900 . 1 1 199 199 TRP C C 13 173.08 0.1 . 1 . . . . 199 TRP C . 6695 1 901 . 1 1 199 199 TRP CA C 13 53.44 0.1 . 1 . . . . 199 TRP CA . 6695 1 902 . 1 1 199 199 TRP CB C 13 31.34 0.1 . 1 . . . . 199 TRP CB . 6695 1 903 . 1 1 199 199 TRP N N 15 129.34 0.05 . 1 . . . . 199 TRP N . 6695 1 904 . 1 1 200 200 LEU H H 1 8.84 0.02 . 1 . . . . 200 LEU H . 6695 1 905 . 1 1 200 200 LEU C C 13 173.16 0.1 . 1 . . . . 200 LEU C . 6695 1 906 . 1 1 200 200 LEU CA C 13 53.2 0.1 . 1 . . . . 200 LEU CA . 6695 1 907 . 1 1 200 200 LEU CB C 13 45.21 0.1 . 1 . . . . 200 LEU CB . 6695 1 908 . 1 1 200 200 LEU N N 15 128.79 0.05 . 1 . . . . 200 LEU N . 6695 1 909 . 1 1 201 201 PHE H H 1 9.22 0.02 . 1 . . . . 201 PHE H . 6695 1 910 . 1 1 201 201 PHE C C 13 173.8 0.1 . 1 . . . . 201 PHE C . 6695 1 911 . 1 1 201 201 PHE CA C 13 55.92 0.1 . 1 . . . . 201 PHE CA . 6695 1 912 . 1 1 201 201 PHE CB C 13 41.32 0.1 . 1 . . . . 201 PHE CB . 6695 1 913 . 1 1 201 201 PHE N N 15 125.04 0.05 . 1 . . . . 201 PHE N . 6695 1 914 . 1 1 202 202 LEU H H 1 7.96 0.02 . 1 . . . . 202 LEU H . 6695 1 915 . 1 1 202 202 LEU C C 13 175.03 0.1 . 1 . . . . 202 LEU C . 6695 1 916 . 1 1 202 202 LEU CA C 13 52.75 0.1 . 1 . . . . 202 LEU CA . 6695 1 917 . 1 1 202 202 LEU CB C 13 44.08 0.1 . 1 . . . . 202 LEU CB . 6695 1 918 . 1 1 202 202 LEU N N 15 121.98 0.05 . 1 . . . . 202 LEU N . 6695 1 919 . 1 1 203 203 GLY H H 1 9.41 0.02 . 1 . . . . 203 GLY H . 6695 1 920 . 1 1 203 203 GLY C C 13 172.77 0.1 . 1 . . . . 203 GLY C . 6695 1 921 . 1 1 203 203 GLY CA C 13 44.93 0.1 . 1 . . . . 203 GLY CA . 6695 1 922 . 1 1 203 203 GLY N N 15 114.84 0.05 . 1 . . . . 203 GLY N . 6695 1 923 . 1 1 204 204 VAL H H 1 8.76 0.02 . 1 . . . . 204 VAL H . 6695 1 924 . 1 1 204 204 VAL C C 13 176.19 0.1 . 1 . . . . 204 VAL C . 6695 1 925 . 1 1 204 204 VAL CA C 13 58.77 0.1 . 1 . . . . 204 VAL CA . 6695 1 926 . 1 1 204 204 VAL CB C 13 34.62 0.1 . 1 . . . . 204 VAL CB . 6695 1 927 . 1 1 204 204 VAL N N 15 118.28 0.05 . 1 . . . . 204 VAL N . 6695 1 928 . 1 1 205 205 PRO C C 13 176.77 0.1 . 1 . . . . 205 PRO C . 6695 1 929 . 1 1 205 205 PRO CA C 13 64.86 0.1 . 1 . . . . 205 PRO CA . 6695 1 930 . 1 1 205 205 PRO CB C 13 32.03 0.1 . 1 . . . . 205 PRO CB . 6695 1 931 . 1 1 206 206 THR H H 1 6.43 0.02 . 1 . . . . 206 THR H . 6695 1 932 . 1 1 206 206 THR C C 13 176.02 0.1 . 1 . . . . 206 THR C . 6695 1 933 . 1 1 206 206 THR CA C 13 58.48 0.1 . 1 . . . . 206 THR CA . 6695 1 934 . 1 1 206 206 THR CB C 13 72.77 0.1 . 1 . . . . 206 THR CB . 6695 1 935 . 1 1 206 206 THR N N 15 129.83 0.05 . 1 . . . . 206 THR N . 6695 1 936 . 1 1 207 207 SER H H 1 9.98 0.02 . 1 . . . . 207 SER H . 6695 1 937 . 1 1 207 207 SER C C 13 177.34 0.1 . 1 . . . . 207 SER C . 6695 1 938 . 1 1 207 207 SER CA C 13 62.97 0.1 . 1 . . . . 207 SER CA . 6695 1 939 . 1 1 207 207 SER CB C 13 61.57 0.1 . 1 . . . . 207 SER CB . 6695 1 940 . 1 1 207 207 SER N N 15 123.26 0.05 . 1 . . . . 207 SER N . 6695 1 941 . 1 1 208 208 SER C C 13 174.05 0.1 . 1 . . . . 208 SER C . 6695 1 942 . 1 1 208 208 SER CA C 13 57.99 0.1 . 1 . . . . 208 SER CA . 6695 1 943 . 1 1 208 208 SER CB C 13 63.25 0.1 . 1 . . . . 208 SER CB . 6695 1 944 . 1 1 209 209 SER H H 1 7.68 0.02 . 1 . . . . 209 SER H . 6695 1 945 . 1 1 209 209 SER C C 13 173.24 0.1 . 1 . . . . 209 SER C . 6695 1 946 . 1 1 209 209 SER CA C 13 57.5 0.1 . 1 . . . . 209 SER CA . 6695 1 947 . 1 1 209 209 SER CB C 13 63.7 0.1 . 1 . . . . 209 SER CB . 6695 1 948 . 1 1 209 209 SER N N 15 115.8 0.05 . 1 . . . . 209 SER N . 6695 1 949 . 1 1 210 210 LEU H H 1 7.05 0.02 . 1 . . . . 210 LEU H . 6695 1 950 . 1 1 210 210 LEU C C 13 175.19 0.1 . 1 . . . . 210 LEU C . 6695 1 951 . 1 1 210 210 LEU CA C 13 55.26 0.1 . 1 . . . . 210 LEU CA . 6695 1 952 . 1 1 210 210 LEU CB C 13 40.63 0.1 . 1 . . . . 210 LEU CB . 6695 1 953 . 1 1 210 210 LEU N N 15 121.31 0.05 . 1 . . . . 210 LEU N . 6695 1 954 . 1 1 211 211 LEU C C 13 174.16 0.1 . 1 . . . . 211 LEU C . 6695 1 955 . 1 1 211 211 LEU CA C 13 54.18 0.1 . 1 . . . . 211 LEU CA . 6695 1 956 . 1 1 211 211 LEU CB C 13 42.48 0.1 . 1 . . . . 211 LEU CB . 6695 1 957 . 1 1 212 212 TYR H H 1 7.46 0.02 . 1 . . . . 212 TYR H . 6695 1 958 . 1 1 212 212 TYR C C 13 176.31 0.1 . 1 . . . . 212 TYR C . 6695 1 959 . 1 1 212 212 TYR CA C 13 58.56 0.1 . 1 . . . . 212 TYR CA . 6695 1 960 . 1 1 212 212 TYR CB C 13 34.24 0.1 . 1 . . . . 212 TYR CB . 6695 1 961 . 1 1 212 212 TYR N N 15 112.1 0.05 . 1 . . . . 212 TYR N . 6695 1 962 . 1 1 213 213 LYS H H 1 7.45 0.02 . 1 . . . . 213 LYS H . 6695 1 963 . 1 1 213 213 LYS C C 13 179.29 0.1 . 1 . . . . 213 LYS C . 6695 1 964 . 1 1 213 213 LYS CA C 13 59.61 0.1 . 1 . . . . 213 LYS CA . 6695 1 965 . 1 1 213 213 LYS CB C 13 32.72 0.1 . 1 . . . . 213 LYS CB . 6695 1 966 . 1 1 213 213 LYS N N 15 119.15 0.05 . 1 . . . . 213 LYS N . 6695 1 967 . 1 1 214 214 GLU H H 1 8.93 0.02 . 1 . . . . 214 GLU H . 6695 1 968 . 1 1 214 214 GLU C C 13 180.25 0.1 . 1 . . . . 214 GLU C . 6695 1 969 . 1 1 214 214 GLU CA C 13 58.91 0.1 . 1 . . . . 214 GLU CA . 6695 1 970 . 1 1 214 214 GLU CB C 13 28.08 0.1 . 1 . . . . 214 GLU CB . 6695 1 971 . 1 1 214 214 GLU N N 15 118.52 0.05 . 1 . . . . 214 GLU N . 6695 1 972 . 1 1 215 215 GLU H H 1 7.38 0.02 . 1 . . . . 215 GLU H . 6695 1 973 . 1 1 215 215 GLU C C 13 179.05 0.1 . 1 . . . . 215 GLU C . 6695 1 974 . 1 1 215 215 GLU CA C 13 59.32 0.1 . 1 . . . . 215 GLU CA . 6695 1 975 . 1 1 215 215 GLU CB C 13 28.43 0.1 . 1 . . . . 215 GLU CB . 6695 1 976 . 1 1 215 215 GLU N N 15 120.77 0.05 . 1 . . . . 215 GLU N . 6695 1 977 . 1 1 216 216 PHE H H 1 7.58 0.02 . 1 . . . . 216 PHE H . 6695 1 978 . 1 1 216 216 PHE C C 13 179.52 0.1 . 1 . . . . 216 PHE C . 6695 1 979 . 1 1 216 216 PHE CA C 13 58.6 0.1 . 1 . . . . 216 PHE CA . 6695 1 980 . 1 1 216 216 PHE CB C 13 36.44 0.1 . 1 . . . . 216 PHE CB . 6695 1 981 . 1 1 216 216 PHE N N 15 119.19 0.05 . 1 . . . . 216 PHE N . 6695 1 982 . 1 1 217 217 GLY H H 1 8.49 0.02 . 1 . . . . 217 GLY H . 6695 1 983 . 1 1 217 217 GLY C C 13 176.9 0.1 . 1 . . . . 217 GLY C . 6695 1 984 . 1 1 217 217 GLY CA C 13 46.86 0.1 . 1 . . . . 217 GLY CA . 6695 1 985 . 1 1 217 217 GLY N N 15 106.88 0.05 . 1 . . . . 217 GLY N . 6695 1 986 . 1 1 218 218 LYS H H 1 7.51 0.02 . 1 . . . . 218 LYS H . 6695 1 987 . 1 1 218 218 LYS C C 13 179.78 0.1 . 1 . . . . 218 LYS C . 6695 1 988 . 1 1 218 218 LYS CA C 13 58.56 0.1 . 1 . . . . 218 LYS CA . 6695 1 989 . 1 1 218 218 LYS CB C 13 31.66 0.1 . 1 . . . . 218 LYS CB . 6695 1 990 . 1 1 218 218 LYS N N 15 122.93 0.05 . 1 . . . . 218 LYS N . 6695 1 991 . 1 1 219 219 MET H H 1 8.06 0.02 . 1 . . . . 219 MET H . 6695 1 992 . 1 1 219 219 MET C C 13 176.97 0.1 . 1 . . . . 219 MET C . 6695 1 993 . 1 1 219 219 MET CA C 13 59.79 0.1 . 1 . . . . 219 MET CA . 6695 1 994 . 1 1 219 219 MET CB C 13 31.32 0.1 . 1 . . . . 219 MET CB . 6695 1 995 . 1 1 219 219 MET N N 15 120.91 0.05 . 1 . . . . 219 MET N . 6695 1 996 . 1 1 220 220 LYS H H 1 7.99 0.02 . 1 . . . . 220 LYS H . 6695 1 997 . 1 1 220 220 LYS C C 13 177.5 0.1 . 1 . . . . 220 LYS C . 6695 1 998 . 1 1 220 220 LYS CA C 13 57.82 0.1 . 1 . . . . 220 LYS CA . 6695 1 999 . 1 1 220 220 LYS CB C 13 31.19 0.1 . 1 . . . . 220 LYS CB . 6695 1 1000 . 1 1 220 220 LYS N N 15 118.28 0.05 . 1 . . . . 220 LYS N . 6695 1 1001 . 1 1 221 221 GLU H H 1 7.34 0.02 . 1 . . . . 221 GLU H . 6695 1 1002 . 1 1 221 221 GLU C C 13 178.57 0.1 . 1 . . . . 221 GLU C . 6695 1 1003 . 1 1 221 221 GLU CA C 13 58.21 0.1 . 1 . . . . 221 GLU CA . 6695 1 1004 . 1 1 221 221 GLU CB C 13 29.38 0.1 . 1 . . . . 221 GLU CB . 6695 1 1005 . 1 1 221 221 GLU N N 15 116.02 0.05 . 1 . . . . 221 GLU N . 6695 1 1006 . 1 1 222 222 ARG H H 1 7.46 0.02 . 1 . . . . 222 ARG H . 6695 1 1007 . 1 1 222 222 ARG C C 13 176.63 0.1 . 1 . . . . 222 ARG C . 6695 1 1008 . 1 1 222 222 ARG CA C 13 56.88 0.1 . 1 . . . . 222 ARG CA . 6695 1 1009 . 1 1 222 222 ARG CB C 13 30.21 0.1 . 1 . . . . 222 ARG CB . 6695 1 1010 . 1 1 222 222 ARG N N 15 116.78 0.05 . 1 . . . . 222 ARG N . 6695 1 1011 . 1 1 223 223 ALA H H 1 7.79 0.02 . 1 . . . . 223 ALA H . 6695 1 1012 . 1 1 223 223 ALA C C 13 174.15 0.1 . 1 . . . . 223 ALA C . 6695 1 1013 . 1 1 223 223 ALA CA C 13 50 0.1 . 1 . . . . 223 ALA CA . 6695 1 1014 . 1 1 223 223 ALA CB C 13 18.96 0.1 . 1 . . . . 223 ALA CB . 6695 1 1015 . 1 1 223 223 ALA N N 15 123.57 0.05 . 1 . . . . 223 ALA N . 6695 1 1016 . 1 1 224 224 PRO C C 13 179.21 0.1 . 1 . . . . 224 PRO C . 6695 1 1017 . 1 1 224 224 PRO CA C 13 65.13 0.1 . 1 . . . . 224 PRO CA . 6695 1 1018 . 1 1 224 224 PRO CB C 13 31.12 0.1 . 1 . . . . 224 PRO CB . 6695 1 1019 . 1 1 225 225 GLU H H 1 8.49 0.02 . 1 . . . . 225 GLU H . 6695 1 1020 . 1 1 225 225 GLU C C 13 177.16 0.1 . 1 . . . . 225 GLU C . 6695 1 1021 . 1 1 225 225 GLU CA C 13 56.21 0.1 . 1 . . . . 225 GLU CA . 6695 1 1022 . 1 1 225 225 GLU CB C 13 29.28 0.1 . 1 . . . . 225 GLU CB . 6695 1 1023 . 1 1 225 225 GLU N N 15 114.13 0.05 . 1 . . . . 225 GLU N . 6695 1 1024 . 1 1 226 226 ASN H H 1 7.42 0.02 . 1 . . . . 226 ASN H . 6695 1 1025 . 1 1 226 226 ASN C C 13 172.28 0.1 . 1 . . . . 226 ASN C . 6695 1 1026 . 1 1 226 226 ASN CA C 13 54.03 0.1 . 1 . . . . 226 ASN CA . 6695 1 1027 . 1 1 226 226 ASN CB C 13 42.08 0.1 . 1 . . . . 226 ASN CB . 6695 1 1028 . 1 1 226 226 ASN N N 15 114.41 0.05 . 1 . . . . 226 ASN N . 6695 1 1029 . 1 1 227 227 PHE H H 1 7.48 0.02 . 1 . . . . 227 PHE H . 6695 1 1030 . 1 1 227 227 PHE C C 13 172.65 0.1 . 1 . . . . 227 PHE C . 6695 1 1031 . 1 1 227 227 PHE CA C 13 54.4 0.1 . 1 . . . . 227 PHE CA . 6695 1 1032 . 1 1 227 227 PHE CB C 13 41.58 0.1 . 1 . . . . 227 PHE CB . 6695 1 1033 . 1 1 227 227 PHE N N 15 121.58 0.05 . 1 . . . . 227 PHE N . 6695 1 1034 . 1 1 228 228 ARG H H 1 8.16 0.02 . 1 . . . . 228 ARG H . 6695 1 1035 . 1 1 228 228 ARG C C 13 171.71 0.1 . 1 . . . . 228 ARG C . 6695 1 1036 . 1 1 228 228 ARG CA C 13 53.91 0.1 . 1 . . . . 228 ARG CA . 6695 1 1037 . 1 1 228 228 ARG CB C 13 32.86 0.1 . 1 . . . . 228 ARG CB . 6695 1 1038 . 1 1 228 228 ARG N N 15 127.28 0.05 . 1 . . . . 228 ARG N . 6695 1 1039 . 1 1 229 229 VAL H H 1 7.5 0.02 . 1 . . . . 229 VAL H . 6695 1 1040 . 1 1 229 229 VAL C C 13 172.41 0.1 . 1 . . . . 229 VAL C . 6695 1 1041 . 1 1 229 229 VAL CA C 13 57.87 0.1 . 1 . . . . 229 VAL CA . 6695 1 1042 . 1 1 229 229 VAL CB C 13 32.81 0.1 . 1 . . . . 229 VAL CB . 6695 1 1043 . 1 1 229 229 VAL N N 15 118.49 0.05 . 1 . . . . 229 VAL N . 6695 1 1044 . 1 1 230 230 ASP H H 1 8.61 0.02 . 1 . . . . 230 ASP H . 6695 1 1045 . 1 1 230 230 ASP C C 13 173.65 0.1 . 1 . . . . 230 ASP C . 6695 1 1046 . 1 1 230 230 ASP CA C 13 52.96 0.1 . 1 . . . . 230 ASP CA . 6695 1 1047 . 1 1 230 230 ASP CB C 13 46.12 0.1 . 1 . . . . 230 ASP CB . 6695 1 1048 . 1 1 230 230 ASP N N 15 128.04 0.05 . 1 . . . . 230 ASP N . 6695 1 1049 . 1 1 231 231 TYR H H 1 8.64 0.02 . 1 . . . . 231 TYR H . 6695 1 1050 . 1 1 231 231 TYR C C 13 175.77 0.1 . 1 . . . . 231 TYR C . 6695 1 1051 . 1 1 231 231 TYR CA C 13 55.24 0.1 . 1 . . . . 231 TYR CA . 6695 1 1052 . 1 1 231 231 TYR CB C 13 40.03 0.1 . 1 . . . . 231 TYR CB . 6695 1 1053 . 1 1 231 231 TYR N N 15 120.2 0.05 . 1 . . . . 231 TYR N . 6695 1 1054 . 1 1 232 232 ALA H H 1 9.22 0.02 . 1 . . . . 232 ALA H . 6695 1 1055 . 1 1 232 232 ALA C C 13 174.75 0.1 . 1 . . . . 232 ALA C . 6695 1 1056 . 1 1 232 232 ALA CA C 13 50.61 0.1 . 1 . . . . 232 ALA CA . 6695 1 1057 . 1 1 232 232 ALA CB C 13 20.12 0.1 . 1 . . . . 232 ALA CB . 6695 1 1058 . 1 1 232 232 ALA N N 15 128.71 0.05 . 1 . . . . 232 ALA N . 6695 1 1059 . 1 1 233 233 VAL H H 1 8.15 0.02 . 1 . . . . 233 VAL H . 6695 1 1060 . 1 1 233 233 VAL C C 13 178.28 0.1 . 1 . . . . 233 VAL C . 6695 1 1061 . 1 1 233 233 VAL CA C 13 59.89 0.1 . 1 . . . . 233 VAL CA . 6695 1 1062 . 1 1 233 233 VAL CB C 13 30.04 0.1 . 1 . . . . 233 VAL CB . 6695 1 1063 . 1 1 233 233 VAL N N 15 126.64 0.05 . 1 . . . . 233 VAL N . 6695 1 1064 . 1 1 234 234 SER H H 1 8.24 0.02 . 1 . . . . 234 SER H . 6695 1 1065 . 1 1 234 234 SER C C 13 176.99 0.1 . 1 . . . . 234 SER C . 6695 1 1066 . 1 1 234 234 SER CA C 13 56.77 0.1 . 1 . . . . 234 SER CA . 6695 1 1067 . 1 1 234 234 SER N N 15 123.14 0.05 . 1 . . . . 234 SER N . 6695 1 1068 . 1 1 235 235 ARG H H 1 8.78 0.02 . 1 . . . . 235 ARG H . 6695 1 1069 . 1 1 235 235 ARG C C 13 176.9 0.1 . 1 . . . . 235 ARG C . 6695 1 1070 . 1 1 235 235 ARG CA C 13 57.07 0.1 . 1 . . . . 235 ARG CA . 6695 1 1071 . 1 1 235 235 ARG CB C 13 29.33 0.1 . 1 . . . . 235 ARG CB . 6695 1 1072 . 1 1 235 235 ARG N N 15 117.44 0.05 . 1 . . . . 235 ARG N . 6695 1 1073 . 1 1 236 236 GLU H H 1 7.09 0.02 . 1 . . . . 236 GLU H . 6695 1 1074 . 1 1 236 236 GLU C C 13 175.45 0.1 . 1 . . . . 236 GLU C . 6695 1 1075 . 1 1 236 236 GLU CA C 13 55.68 0.1 . 1 . . . . 236 GLU CA . 6695 1 1076 . 1 1 236 236 GLU CB C 13 32.95 0.1 . 1 . . . . 236 GLU CB . 6695 1 1077 . 1 1 236 236 GLU N N 15 113.83 0.05 . 1 . . . . 236 GLU N . 6695 1 1078 . 1 1 237 237 GLN H H 1 7.76 0.02 . 1 . . . . 237 GLN H . 6695 1 1079 . 1 1 237 237 GLN C C 13 175.65 0.1 . 1 . . . . 237 GLN C . 6695 1 1080 . 1 1 237 237 GLN CA C 13 54.05 0.1 . 1 . . . . 237 GLN CA . 6695 1 1081 . 1 1 237 237 GLN CB C 13 30.42 0.1 . 1 . . . . 237 GLN CB . 6695 1 1082 . 1 1 237 237 GLN N N 15 117.69 0.05 . 1 . . . . 237 GLN N . 6695 1 1083 . 1 1 238 238 THR H H 1 8.2 0.02 . 1 . . . . 238 THR H . 6695 1 1084 . 1 1 238 238 THR C C 13 174.78 0.1 . 1 . . . . 238 THR C . 6695 1 1085 . 1 1 238 238 THR CA C 13 58.8 0.1 . 1 . . . . 238 THR CA . 6695 1 1086 . 1 1 238 238 THR CB C 13 72.43 0.1 . 1 . . . . 238 THR CB . 6695 1 1087 . 1 1 238 238 THR N N 15 112.83 0.05 . 1 . . . . 238 THR N . 6695 1 1088 . 1 1 239 239 ASN H H 1 8.39 0.02 . 1 . . . . 239 ASN H . 6695 1 1089 . 1 1 239 239 ASN C C 13 177.45 0.1 . 1 . . . . 239 ASN C . 6695 1 1090 . 1 1 239 239 ASN CA C 13 50.52 0.1 . 1 . . . . 239 ASN CA . 6695 1 1091 . 1 1 239 239 ASN CB C 13 38.17 0.1 . 1 . . . . 239 ASN CB . 6695 1 1092 . 1 1 239 239 ASN N N 15 119.44 0.05 . 1 . . . . 239 ASN N . 6695 1 1093 . 1 1 240 240 ALA C C 13 178.33 0.1 . 1 . . . . 240 ALA C . 6695 1 1094 . 1 1 240 240 ALA CA C 13 54.6 0.1 . 1 . . . . 240 ALA CA . 6695 1 1095 . 1 1 240 240 ALA CB C 13 17.53 0.1 . 1 . . . . 240 ALA CB . 6695 1 1096 . 1 1 241 241 ALA H H 1 7.26 0.02 . 1 . . . . 241 ALA H . 6695 1 1097 . 1 1 241 241 ALA C C 13 177.71 0.1 . 1 . . . . 241 ALA C . 6695 1 1098 . 1 1 241 241 ALA CA C 13 51.41 0.1 . 1 . . . . 241 ALA CA . 6695 1 1099 . 1 1 241 241 ALA CB C 13 18.26 0.1 . 1 . . . . 241 ALA CB . 6695 1 1100 . 1 1 241 241 ALA N N 15 118.81 0.05 . 1 . . . . 241 ALA N . 6695 1 1101 . 1 1 242 242 GLY H H 1 8.02 0.02 . 1 . . . . 242 GLY H . 6695 1 1102 . 1 1 242 242 GLY C C 13 174.26 0.1 . 1 . . . . 242 GLY C . 6695 1 1103 . 1 1 242 242 GLY CA C 13 44.75 0.1 . 1 . . . . 242 GLY CA . 6695 1 1104 . 1 1 242 242 GLY N N 15 107.4 0.05 . 1 . . . . 242 GLY N . 6695 1 1105 . 1 1 243 243 GLU H H 1 8.07 0.02 . 1 . . . . 243 GLU H . 6695 1 1106 . 1 1 243 243 GLU C C 13 176.48 0.1 . 1 . . . . 243 GLU C . 6695 1 1107 . 1 1 243 243 GLU CA C 13 55.11 0.1 . 1 . . . . 243 GLU CA . 6695 1 1108 . 1 1 243 243 GLU CB C 13 29.42 0.1 . 1 . . . . 243 GLU CB . 6695 1 1109 . 1 1 243 243 GLU N N 15 121.43 0.05 . 1 . . . . 243 GLU N . 6695 1 1110 . 1 1 244 244 ARG H H 1 8.4 0.02 . 1 . . . . 244 ARG H . 6695 1 1111 . 1 1 244 244 ARG C C 13 176.46 0.1 . 1 . . . . 244 ARG C . 6695 1 1112 . 1 1 244 244 ARG CA C 13 56.67 0.1 . 1 . . . . 244 ARG CA . 6695 1 1113 . 1 1 244 244 ARG CB C 13 29.65 0.1 . 1 . . . . 244 ARG CB . 6695 1 1114 . 1 1 244 244 ARG N N 15 121.23 0.05 . 1 . . . . 244 ARG N . 6695 1 1115 . 1 1 245 245 MET H H 1 7.21 0.02 . 1 . . . . 245 MET H . 6695 1 1116 . 1 1 245 245 MET C C 13 174.19 0.1 . 1 . . . . 245 MET C . 6695 1 1117 . 1 1 245 245 MET CA C 13 53.2 0.1 . 1 . . . . 245 MET CA . 6695 1 1118 . 1 1 245 245 MET CB C 13 30.05 0.1 . 1 . . . . 245 MET CB . 6695 1 1119 . 1 1 245 245 MET N N 15 120.93 0.05 . 1 . . . . 245 MET N . 6695 1 1120 . 1 1 246 246 TYR H H 1 7.51 0.02 . 1 . . . . 246 TYR H . 6695 1 1121 . 1 1 246 246 TYR C C 13 178.24 0.1 . 1 . . . . 246 TYR C . 6695 1 1122 . 1 1 246 246 TYR CA C 13 58.09 0.1 . 1 . . . . 246 TYR CA . 6695 1 1123 . 1 1 246 246 TYR CB C 13 39.87 0.1 . 1 . . . . 246 TYR CB . 6695 1 1124 . 1 1 246 246 TYR N N 15 124.02 0.05 . 1 . . . . 246 TYR N . 6695 1 1125 . 1 1 247 247 ILE H H 1 9.69 0.02 . 1 . . . . 247 ILE H . 6695 1 1126 . 1 1 247 247 ILE C C 13 176.34 0.1 . 1 . . . . 247 ILE C . 6695 1 1127 . 1 1 247 247 ILE CA C 13 65.85 0.1 . 1 . . . . 247 ILE CA . 6695 1 1128 . 1 1 247 247 ILE CB C 13 37.26 0.1 . 1 . . . . 247 ILE CB . 6695 1 1129 . 1 1 247 247 ILE N N 15 122.7 0.05 . 1 . . . . 247 ILE N . 6695 1 1130 . 1 1 248 248 GLN H H 1 9.2 0.02 . 1 . . . . 248 GLN H . 6695 1 1131 . 1 1 248 248 GLN C C 13 175.41 0.1 . 1 . . . . 248 GLN C . 6695 1 1132 . 1 1 248 248 GLN CA C 13 57.59 0.1 . 1 . . . . 248 GLN CA . 6695 1 1133 . 1 1 248 248 GLN CB C 13 24.86 0.1 . 1 . . . . 248 GLN CB . 6695 1 1134 . 1 1 248 248 GLN N N 15 120.9 0.05 . 1 . . . . 248 GLN N . 6695 1 1135 . 1 1 249 249 THR H H 1 7.16 0.02 . 1 . . . . 249 THR H . 6695 1 1136 . 1 1 249 249 THR C C 13 176.76 0.1 . 1 . . . . 249 THR C . 6695 1 1137 . 1 1 249 249 THR CA C 13 64.82 0.1 . 1 . . . . 249 THR CA . 6695 1 1138 . 1 1 249 249 THR CB C 13 67.31 0.1 . 1 . . . . 249 THR CB . 6695 1 1139 . 1 1 249 249 THR N N 15 122.91 0.05 . 1 . . . . 249 THR N . 6695 1 1140 . 1 1 250 250 ARG H H 1 7.63 0.02 . 1 . . . . 250 ARG H . 6695 1 1141 . 1 1 250 250 ARG C C 13 178.67 0.1 . 1 . . . . 250 ARG C . 6695 1 1142 . 1 1 250 250 ARG CA C 13 56.7 0.1 . 1 . . . . 250 ARG CA . 6695 1 1143 . 1 1 250 250 ARG CB C 13 27.85 0.1 . 1 . . . . 250 ARG CB . 6695 1 1144 . 1 1 250 250 ARG N N 15 122.36 0.05 . 1 . . . . 250 ARG N . 6695 1 1145 . 1 1 251 251 MET H H 1 8.24 0.02 . 1 . . . . 251 MET H . 6695 1 1146 . 1 1 251 251 MET C C 13 178.41 0.1 . 1 . . . . 251 MET C . 6695 1 1147 . 1 1 251 251 MET CA C 13 59.22 0.1 . 1 . . . . 251 MET CA . 6695 1 1148 . 1 1 251 251 MET CB C 13 33.15 0.1 . 1 . . . . 251 MET CB . 6695 1 1149 . 1 1 251 251 MET N N 15 118.72 0.05 . 1 . . . . 251 MET N . 6695 1 1150 . 1 1 252 252 ALA H H 1 7.7 0.02 . 1 . . . . 252 ALA H . 6695 1 1151 . 1 1 252 252 ALA C C 13 179.66 0.1 . 1 . . . . 252 ALA C . 6695 1 1152 . 1 1 252 252 ALA CA C 13 54.3 0.1 . 1 . . . . 252 ALA CA . 6695 1 1153 . 1 1 252 252 ALA CB C 13 17.10 0.1 . 1 . . . . 252 ALA CB . 6695 1 1154 . 1 1 252 252 ALA N N 15 118.13 0.05 . 1 . . . . 252 ALA N . 6695 1 1155 . 1 1 253 253 GLU H H 1 7.33 0.02 . 1 . . . . 253 GLU H . 6695 1 1156 . 1 1 253 253 GLU C C 13 176.97 0.1 . 1 . . . . 253 GLU C . 6695 1 1157 . 1 1 253 253 GLU CA C 13 57.98 0.1 . 1 . . . . 253 GLU CA . 6695 1 1158 . 1 1 253 253 GLU CB C 13 28.4 0.1 . 1 . . . . 253 GLU CB . 6695 1 1159 . 1 1 253 253 GLU N N 15 117.66 0.05 . 1 . . . . 253 GLU N . 6695 1 1160 . 1 1 254 254 TYR H H 1 7.76 0.02 . 1 . . . . 254 TYR H . 6695 1 1161 . 1 1 254 254 TYR C C 13 177.56 0.1 . 1 . . . . 254 TYR C . 6695 1 1162 . 1 1 254 254 TYR CA C 13 55.81 0.1 . 1 . . . . 254 TYR CA . 6695 1 1163 . 1 1 254 254 TYR CB C 13 39.46 0.1 . 1 . . . . 254 TYR CB . 6695 1 1164 . 1 1 254 254 TYR N N 15 118.28 0.05 . 1 . . . . 254 TYR N . 6695 1 1165 . 1 1 255 255 LYS H H 1 7.08 0.02 . 1 . . . . 255 LYS H . 6695 1 1166 . 1 1 255 255 LYS C C 13 176.31 0.1 . 1 . . . . 255 LYS C . 6695 1 1167 . 1 1 255 255 LYS CA C 13 60.68 0.1 . 1 . . . . 255 LYS CA . 6695 1 1168 . 1 1 255 255 LYS CB C 13 31.3 0.1 . 1 . . . . 255 LYS CB . 6695 1 1169 . 1 1 255 255 LYS N N 15 119 0.05 . 1 . . . . 255 LYS N . 6695 1 1170 . 1 1 256 256 GLU H H 1 8.29 0.02 . 1 . . . . 256 GLU H . 6695 1 1171 . 1 1 256 256 GLU C C 13 179.24 0.1 . 1 . . . . 256 GLU C . 6695 1 1172 . 1 1 256 256 GLU CA C 13 60.23 0.1 . 1 . . . . 256 GLU CA . 6695 1 1173 . 1 1 256 256 GLU CB C 13 27.88 0.1 . 1 . . . . 256 GLU CB . 6695 1 1174 . 1 1 256 256 GLU N N 15 119.03 0.05 . 1 . . . . 256 GLU N . 6695 1 1175 . 1 1 257 257 GLU H H 1 8.32 0.02 . 1 . . . . 257 GLU H . 6695 1 1176 . 1 1 257 257 GLU C C 13 179.69 0.1 . 1 . . . . 257 GLU C . 6695 1 1177 . 1 1 257 257 GLU CA C 13 59.29 0.1 . 1 . . . . 257 GLU CA . 6695 1 1178 . 1 1 257 257 GLU CB C 13 29.74 0.1 . 1 . . . . 257 GLU CB . 6695 1 1179 . 1 1 257 257 GLU N N 15 121.93 0.05 . 1 . . . . 257 GLU N . 6695 1 1180 . 1 1 258 258 LEU H H 1 8.7 0.02 . 1 . . . . 258 LEU H . 6695 1 1181 . 1 1 258 258 LEU C C 13 178.28 0.1 . 1 . . . . 258 LEU C . 6695 1 1182 . 1 1 258 258 LEU CA C 13 57.73 0.1 . 1 . . . . 258 LEU CA . 6695 1 1183 . 1 1 258 258 LEU CB C 13 41.7 0.1 . 1 . . . . 258 LEU CB . 6695 1 1184 . 1 1 258 258 LEU N N 15 118.78 0.05 . 1 . . . . 258 LEU N . 6695 1 1185 . 1 1 259 259 TRP H H 1 8.25 0.02 . 1 . . . . 259 TRP H . 6695 1 1186 . 1 1 259 259 TRP C C 13 177.26 0.1 . 1 . . . . 259 TRP C . 6695 1 1187 . 1 1 259 259 TRP CA C 13 59.05 0.1 . 1 . . . . 259 TRP CA . 6695 1 1188 . 1 1 259 259 TRP CB C 13 30.45 0.1 . 1 . . . . 259 TRP CB . 6695 1 1189 . 1 1 259 259 TRP N N 15 119.01 0.05 . 1 . . . . 259 TRP N . 6695 1 1190 . 1 1 260 260 GLU H H 1 7.55 0.02 . 1 . . . . 260 GLU H . 6695 1 1191 . 1 1 260 260 GLU C C 13 180.79 0.1 . 1 . . . . 260 GLU C . 6695 1 1192 . 1 1 260 260 GLU CA C 13 58.9 0.1 . 1 . . . . 260 GLU CA . 6695 1 1193 . 1 1 260 260 GLU CB C 13 28.48 0.1 . 1 . . . . 260 GLU CB . 6695 1 1194 . 1 1 260 260 GLU N N 15 114.91 0.05 . 1 . . . . 260 GLU N . 6695 1 1195 . 1 1 261 261 LEU H H 1 7.88 0.02 . 1 . . . . 261 LEU H . 6695 1 1196 . 1 1 261 261 LEU C C 13 180.91 0.1 . 1 . . . . 261 LEU C . 6695 1 1197 . 1 1 261 261 LEU CA C 13 57.7 0.1 . 1 . . . . 261 LEU CA . 6695 1 1198 . 1 1 261 261 LEU CB C 13 40.88 0.1 . 1 . . . . 261 LEU CB . 6695 1 1199 . 1 1 261 261 LEU N N 15 118.59 0.05 . 1 . . . . 261 LEU N . 6695 1 1200 . 1 1 262 262 LEU H H 1 8.22 0.02 . 1 . . . . 262 LEU H . 6695 1 1201 . 1 1 262 262 LEU C C 13 176.55 0.1 . 1 . . . . 262 LEU C . 6695 1 1202 . 1 1 262 262 LEU CA C 13 56.47 0.1 . 1 . . . . 262 LEU CA . 6695 1 1203 . 1 1 262 262 LEU CB C 13 40.86 0.1 . 1 . . . . 262 LEU CB . 6695 1 1204 . 1 1 262 262 LEU N N 15 123.17 0.05 . 1 . . . . 262 LEU N . 6695 1 1205 . 1 1 263 263 LYS H H 1 6.8 0.02 . 1 . . . . 263 LYS H . 6695 1 1206 . 1 1 263 263 LYS C C 13 176.9 0.1 . 1 . . . . 263 LYS C . 6695 1 1207 . 1 1 263 263 LYS CA C 13 56.51 0.1 . 1 . . . . 263 LYS CA . 6695 1 1208 . 1 1 263 263 LYS CB C 13 32.03 0.1 . 1 . . . . 263 LYS CB . 6695 1 1209 . 1 1 263 263 LYS N N 15 116.24 0.05 . 1 . . . . 263 LYS N . 6695 1 1210 . 1 1 264 264 LYS H H 1 7.43 0.02 . 1 . . . . 264 LYS H . 6695 1 1211 . 1 1 264 264 LYS C C 13 177.65 0.1 . 1 . . . . 264 LYS C . 6695 1 1212 . 1 1 264 264 LYS CA C 13 55.11 0.1 . 1 . . . . 264 LYS CA . 6695 1 1213 . 1 1 264 264 LYS CB C 13 32.97 0.1 . 1 . . . . 264 LYS CB . 6695 1 1214 . 1 1 264 264 LYS N N 15 118.97 0.05 . 1 . . . . 264 LYS N . 6695 1 1215 . 1 1 265 265 ASP H H 1 8.36 0.02 . 1 . . . . 265 ASP H . 6695 1 1216 . 1 1 265 265 ASP C C 13 175.54 0.1 . 1 . . . . 265 ASP C . 6695 1 1217 . 1 1 265 265 ASP CA C 13 55.14 0.1 . 1 . . . . 265 ASP CA . 6695 1 1218 . 1 1 265 265 ASP CB C 13 40.38 0.1 . 1 . . . . 265 ASP CB . 6695 1 1219 . 1 1 265 265 ASP N N 15 119.43 0.05 . 1 . . . . 265 ASP N . 6695 1 1220 . 1 1 266 266 ASN H H 1 7.74 0.02 . 1 . . . . 266 ASN H . 6695 1 1221 . 1 1 266 266 ASN C C 13 173.92 0.1 . 1 . . . . 266 ASN C . 6695 1 1222 . 1 1 266 266 ASN CA C 13 51.36 0.1 . 1 . . . . 266 ASN CA . 6695 1 1223 . 1 1 266 266 ASN CB C 13 37.44 0.1 . 1 . . . . 266 ASN CB . 6695 1 1224 . 1 1 266 266 ASN N N 15 115.32 0.05 . 1 . . . . 266 ASN N . 6695 1 1225 . 1 1 267 267 THR H H 1 6.72 0.02 . 1 . . . . 267 THR H . 6695 1 1226 . 1 1 267 267 THR C C 13 172.53 0.1 . 1 . . . . 267 THR C . 6695 1 1227 . 1 1 267 267 THR CA C 13 60.67 0.1 . 1 . . . . 267 THR CA . 6695 1 1228 . 1 1 267 267 THR CB C 13 69.54 0.1 . 1 . . . . 267 THR CB . 6695 1 1229 . 1 1 267 267 THR N N 15 116.59 0.05 . 1 . . . . 267 THR N . 6695 1 1230 . 1 1 268 268 TYR H H 1 9.51 0.02 . 1 . . . . 268 TYR H . 6695 1 1231 . 1 1 268 268 TYR C C 13 173.52 0.1 . 1 . . . . 268 TYR C . 6695 1 1232 . 1 1 268 268 TYR CA C 13 56.68 0.1 . 1 . . . . 268 TYR CA . 6695 1 1233 . 1 1 268 268 TYR CB C 13 42.3 0.1 . 1 . . . . 268 TYR CB . 6695 1 1234 . 1 1 268 268 TYR N N 15 125.38 0.05 . 1 . . . . 268 TYR N . 6695 1 1235 . 1 1 269 269 VAL H H 1 8.61 0.02 . 1 . . . . 269 VAL H . 6695 1 1236 . 1 1 269 269 VAL C C 13 174.94 0.1 . 1 . . . . 269 VAL C . 6695 1 1237 . 1 1 269 269 VAL CA C 13 60.7 0.1 . 1 . . . . 269 VAL CA . 6695 1 1238 . 1 1 269 269 VAL CB C 13 31.93 0.1 . 1 . . . . 269 VAL CB . 6695 1 1239 . 1 1 269 269 VAL N N 15 124.34 0.05 . 1 . . . . 269 VAL N . 6695 1 1240 . 1 1 270 270 TYR H H 1 9.12 0.02 . 1 . . . . 270 TYR H . 6695 1 1241 . 1 1 270 270 TYR C C 13 173.53 0.1 . 1 . . . . 270 TYR C . 6695 1 1242 . 1 1 270 270 TYR CA C 13 55.48 0.1 . 1 . . . . 270 TYR CA . 6695 1 1243 . 1 1 270 270 TYR CB C 13 43.68 0.1 . 1 . . . . 270 TYR CB . 6695 1 1244 . 1 1 270 270 TYR N N 15 127.18 0.05 . 1 . . . . 270 TYR N . 6695 1 1245 . 1 1 271 271 MET H H 1 9.03 0.02 . 1 . . . . 271 MET H . 6695 1 1246 . 1 1 271 271 MET C C 13 173.54 0.1 . 1 . . . . 271 MET C . 6695 1 1247 . 1 1 271 271 MET CA C 13 53.19 0.1 . 1 . . . . 271 MET CA . 6695 1 1248 . 1 1 271 271 MET CB C 13 36.47 0.1 . 1 . . . . 271 MET CB . 6695 1 1249 . 1 1 271 271 MET N N 15 123.64 0.05 . 1 . . . . 271 MET N . 6695 1 1250 . 1 1 272 272 CYS H H 1 9.23 0.02 . 1 . . . . 272 CYS H . 6695 1 1251 . 1 1 272 272 CYS C C 13 172.31 0.1 . 1 . . . . 272 CYS C . 6695 1 1252 . 1 1 272 272 CYS CA C 13 56.37 0.1 . 1 . . . . 272 CYS CA . 6695 1 1253 . 1 1 272 272 CYS CB C 13 29.92 0.1 . 1 . . . . 272 CYS CB . 6695 1 1254 . 1 1 272 272 CYS N N 15 127.38 0.05 . 1 . . . . 272 CYS N . 6695 1 1255 . 1 1 273 273 GLY H H 1 7.14 0.02 . 1 . . . . 273 GLY H . 6695 1 1256 . 1 1 273 273 GLY C C 13 170.03 0.1 . 1 . . . . 273 GLY C . 6695 1 1257 . 1 1 273 273 GLY CA C 13 43.36 0.1 . 1 . . . . 273 GLY CA . 6695 1 1258 . 1 1 273 273 GLY N N 15 115.55 0.05 . 1 . . . . 273 GLY N . 6695 1 1259 . 1 1 274 274 LEU H H 1 7.2 0.02 . 1 . . . . 274 LEU H . 6695 1 1260 . 1 1 274 274 LEU C C 13 178.7 0.1 . 1 . . . . 274 LEU C . 6695 1 1261 . 1 1 274 274 LEU CA C 13 54.41 0.1 . 1 . . . . 274 LEU CA . 6695 1 1262 . 1 1 274 274 LEU CB C 13 40.34 0.1 . 1 . . . . 274 LEU CB . 6695 1 1263 . 1 1 274 274 LEU N N 15 122.06 0.05 . 1 . . . . 274 LEU N . 6695 1 1264 . 1 1 275 275 LYS H H 1 8.95 0.02 . 1 . . . . 275 LYS H . 6695 1 1265 . 1 1 275 275 LYS C C 13 177.12 0.1 . 1 . . . . 275 LYS C . 6695 1 1266 . 1 1 275 275 LYS CA C 13 58.53 0.1 . 1 . . . . 275 LYS CA . 6695 1 1267 . 1 1 275 275 LYS CB C 13 31.7 0.1 . 1 . . . . 275 LYS CB . 6695 1 1268 . 1 1 275 275 LYS N N 15 123.28 0.05 . 1 . . . . 275 LYS N . 6695 1 1269 . 1 1 278 278 GLU C C 13 171.71 0.1 . 1 . . . . 278 GLU C . 6695 1 1270 . 1 1 278 278 GLU CA C 13 59.65 0.1 . 1 . . . . 278 GLU CA . 6695 1 1271 . 1 1 278 278 GLU CB C 13 36.97 0.1 . 1 . . . . 278 GLU CB . 6695 1 1272 . 1 1 279 279 LYS H H 1 7.64 0.02 . 1 . . . . 279 LYS H . 6695 1 1273 . 1 1 279 279 LYS C C 13 178.12 0.1 . 1 . . . . 279 LYS C . 6695 1 1274 . 1 1 279 279 LYS CA C 13 58.91 0.1 . 1 . . . . 279 LYS CA . 6695 1 1275 . 1 1 279 279 LYS CB C 13 31.53 0.1 . 1 . . . . 279 LYS CB . 6695 1 1276 . 1 1 279 279 LYS N N 15 121.27 0.05 . 1 . . . . 279 LYS N . 6695 1 1277 . 1 1 280 280 GLY H H 1 7.85 0.02 . 1 . . . . 280 GLY H . 6695 1 1278 . 1 1 280 280 GLY C C 13 175.58 0.1 . 1 . . . . 280 GLY C . 6695 1 1279 . 1 1 280 280 GLY CA C 13 46.2 0.1 . 1 . . . . 280 GLY CA . 6695 1 1280 . 1 1 280 280 GLY N N 15 105.51 0.05 . 1 . . . . 280 GLY N . 6695 1 1281 . 1 1 281 281 ILE H H 1 7.02 0.02 . 1 . . . . 281 ILE H . 6695 1 1282 . 1 1 281 281 ILE C C 13 177.24 0.1 . 1 . . . . 281 ILE C . 6695 1 1283 . 1 1 281 281 ILE CA C 13 64.82 0.1 . 1 . . . . 281 ILE CA . 6695 1 1284 . 1 1 281 281 ILE CB C 13 37.19 0.1 . 1 . . . . 281 ILE CB . 6695 1 1285 . 1 1 281 281 ILE N N 15 119.92 0.05 . 1 . . . . 281 ILE N . 6695 1 1286 . 1 1 282 282 ASP H H 1 7.8 0.02 . 1 . . . . 282 ASP H . 6695 1 1287 . 1 1 282 282 ASP C C 13 177.52 0.1 . 1 . . . . 282 ASP C . 6695 1 1288 . 1 1 282 282 ASP CA C 13 57.92 0.1 . 1 . . . . 282 ASP CA . 6695 1 1289 . 1 1 282 282 ASP CB C 13 39.88 0.1 . 1 . . . . 282 ASP CB . 6695 1 1290 . 1 1 282 282 ASP N N 15 121.01 0.05 . 1 . . . . 282 ASP N . 6695 1 1291 . 1 1 283 283 ASP H H 1 7.94 0.02 . 1 . . . . 283 ASP H . 6695 1 1292 . 1 1 283 283 ASP C C 13 179.47 0.1 . 1 . . . . 283 ASP C . 6695 1 1293 . 1 1 283 283 ASP CA C 13 57.41 0.1 . 1 . . . . 283 ASP CA . 6695 1 1294 . 1 1 283 283 ASP CB C 13 39.68 0.1 . 1 . . . . 283 ASP CB . 6695 1 1295 . 1 1 283 283 ASP N N 15 116.76 0.05 . 1 . . . . 283 ASP N . 6695 1 1296 . 1 1 284 284 ILE H H 1 7.06 0.02 . 1 . . . . 284 ILE H . 6695 1 1297 . 1 1 284 284 ILE C C 13 177.74 0.1 . 1 . . . . 284 ILE C . 6695 1 1298 . 1 1 284 284 ILE CA C 13 62.21 0.1 . 1 . . . . 284 ILE CA . 6695 1 1299 . 1 1 284 284 ILE CB C 13 37.11 0.1 . 1 . . . . 284 ILE CB . 6695 1 1300 . 1 1 284 284 ILE N N 15 116.52 0.05 . 1 . . . . 284 ILE N . 6695 1 1301 . 1 1 285 285 MET H H 1 7.27 0.02 . 1 . . . . 285 MET H . 6695 1 1302 . 1 1 285 285 MET C C 13 178.52 0.1 . 1 . . . . 285 MET C . 6695 1 1303 . 1 1 285 285 MET CA C 13 55.78 0.1 . 1 . . . . 285 MET CA . 6695 1 1304 . 1 1 285 285 MET CB C 13 27.43 0.1 . 1 . . . . 285 MET CB . 6695 1 1305 . 1 1 285 285 MET N N 15 121.11 0.05 . 1 . . . . 285 MET N . 6695 1 1306 . 1 1 286 286 VAL H H 1 8.1 0.02 . 1 . . . . 286 VAL H . 6695 1 1307 . 1 1 286 286 VAL C C 13 178.5 0.1 . 1 . . . . 286 VAL C . 6695 1 1308 . 1 1 286 286 VAL CA C 13 66.06 0.1 . 1 . . . . 286 VAL CA . 6695 1 1309 . 1 1 286 286 VAL CB C 13 31.31 0.1 . 1 . . . . 286 VAL CB . 6695 1 1310 . 1 1 286 286 VAL N N 15 119.51 0.05 . 1 . . . . 286 VAL N . 6695 1 1311 . 1 1 287 287 SER H H 1 6.86 0.02 . 1 . . . . 287 SER H . 6695 1 1312 . 1 1 287 287 SER C C 13 176.36 0.1 . 1 . . . . 287 SER C . 6695 1 1313 . 1 1 287 287 SER CA C 13 60.6 0.1 . 1 . . . . 287 SER CA . 6695 1 1314 . 1 1 287 287 SER CB C 13 62.78 0.1 . 1 . . . . 287 SER CB . 6695 1 1315 . 1 1 287 287 SER N N 15 113.48 0.05 . 1 . . . . 287 SER N . 6695 1 1316 . 1 1 288 288 LEU H H 1 6.88 0.02 . 1 . . . . 288 LEU H . 6695 1 1317 . 1 1 288 288 LEU C C 13 177.92 0.1 . 1 . . . . 288 LEU C . 6695 1 1318 . 1 1 288 288 LEU CA C 13 56.5 0.1 . 1 . . . . 288 LEU CA . 6695 1 1319 . 1 1 288 288 LEU CB C 13 40.02 0.1 . 1 . . . . 288 LEU CB . 6695 1 1320 . 1 1 288 288 LEU N N 15 123.8 0.05 . 1 . . . . 288 LEU N . 6695 1 1321 . 1 1 289 289 ALA H H 1 7.63 0.02 . 1 . . . . 289 ALA H . 6695 1 1322 . 1 1 289 289 ALA C C 13 180.18 0.1 . 1 . . . . 289 ALA C . 6695 1 1323 . 1 1 289 289 ALA CA C 13 54.28 0.1 . 1 . . . . 289 ALA CA . 6695 1 1324 . 1 1 289 289 ALA CB C 13 17.77 0.1 . 1 . . . . 289 ALA CB . 6695 1 1325 . 1 1 289 289 ALA N N 15 121.53 0.05 . 1 . . . . 289 ALA N . 6695 1 1326 . 1 1 290 290 GLU H H 1 7.92 0.02 . 1 . . . . 290 GLU H . 6695 1 1327 . 1 1 290 290 GLU C C 13 180.26 0.1 . 1 . . . . 290 GLU C . 6695 1 1328 . 1 1 290 290 GLU CA C 13 58.93 0.1 . 1 . . . . 290 GLU CA . 6695 1 1329 . 1 1 290 290 GLU CB C 13 28.83 0.1 . 1 . . . . 290 GLU CB . 6695 1 1330 . 1 1 290 290 GLU N N 15 117.55 0.05 . 1 . . . . 290 GLU N . 6695 1 1331 . 1 1 291 291 LYS H H 1 7.06 0.02 . 1 . . . . 291 LYS H . 6695 1 1332 . 1 1 291 291 LYS C C 13 177.4 0.1 . 1 . . . . 291 LYS C . 6695 1 1333 . 1 1 291 291 LYS CA C 13 58.44 0.1 . 1 . . . . 291 LYS CA . 6695 1 1334 . 1 1 291 291 LYS CB C 13 31.03 0.1 . 1 . . . . 291 LYS CB . 6695 1 1335 . 1 1 291 291 LYS N N 15 119.94 0.05 . 1 . . . . 291 LYS N . 6695 1 1336 . 1 1 292 292 ASP H H 1 7.15 0.02 . 1 . . . . 292 ASP H . 6695 1 1337 . 1 1 292 292 ASP C C 13 176.37 0.1 . 1 . . . . 292 ASP C . 6695 1 1338 . 1 1 292 292 ASP CA C 13 53.51 0.1 . 1 . . . . 292 ASP CA . 6695 1 1339 . 1 1 292 292 ASP CB C 13 42.41 0.1 . 1 . . . . 292 ASP CB . 6695 1 1340 . 1 1 292 292 ASP N N 15 118.41 0.05 . 1 . . . . 292 ASP N . 6695 1 1341 . 1 1 293 293 GLY H H 1 7.88 0.02 . 1 . . . . 293 GLY H . 6695 1 1342 . 1 1 293 293 GLY C C 13 174.32 0.1 . 1 . . . . 293 GLY C . 6695 1 1343 . 1 1 293 293 GLY CA C 13 45.81 0.1 . 1 . . . . 293 GLY CA . 6695 1 1344 . 1 1 293 293 GLY N N 15 108.77 0.05 . 1 . . . . 293 GLY N . 6695 1 1345 . 1 1 294 294 ILE H H 1 7.67 0.02 . 1 . . . . 294 ILE H . 6695 1 1346 . 1 1 294 294 ILE C C 13 174.44 0.1 . 1 . . . . 294 ILE C . 6695 1 1347 . 1 1 294 294 ILE CA C 13 59.03 0.1 . 1 . . . . 294 ILE CA . 6695 1 1348 . 1 1 294 294 ILE CB C 13 40.67 0.1 . 1 . . . . 294 ILE CB . 6695 1 1349 . 1 1 294 294 ILE N N 15 119.53 0.05 . 1 . . . . 294 ILE N . 6695 1 1350 . 1 1 295 295 ASP H H 1 8.52 0.02 . 1 . . . . 295 ASP H . 6695 1 1351 . 1 1 295 295 ASP C C 13 176.7 0.1 . 1 . . . . 295 ASP C . 6695 1 1352 . 1 1 295 295 ASP CA C 13 52.39 0.1 . 1 . . . . 295 ASP CA . 6695 1 1353 . 1 1 295 295 ASP CB C 13 41.44 0.1 . 1 . . . . 295 ASP CB . 6695 1 1354 . 1 1 295 295 ASP N N 15 125.21 0.05 . 1 . . . . 295 ASP N . 6695 1 1355 . 1 1 296 296 TRP H H 1 9.14 0.02 . 1 . . . . 296 TRP H . 6695 1 1356 . 1 1 296 296 TRP C C 13 174.78 0.1 . 1 . . . . 296 TRP C . 6695 1 1357 . 1 1 296 296 TRP CA C 13 58.62 0.1 . 1 . . . . 296 TRP CA . 6695 1 1358 . 1 1 296 296 TRP CB C 13 31.19 0.1 . 1 . . . . 296 TRP CB . 6695 1 1359 . 1 1 296 296 TRP N N 15 128.88 0.05 . 1 . . . . 296 TRP N . 6695 1 1360 . 1 1 297 297 PHE H H 1 7.6 0.02 . 1 . . . . 297 PHE H . 6695 1 1361 . 1 1 297 297 PHE C C 13 178.8 0.1 . 1 . . . . 297 PHE C . 6695 1 1362 . 1 1 297 297 PHE CA C 13 62.22 0.1 . 1 . . . . 297 PHE CA . 6695 1 1363 . 1 1 297 297 PHE CB C 13 36.76 0.1 . 1 . . . . 297 PHE CB . 6695 1 1364 . 1 1 297 297 PHE N N 15 114.27 0.05 . 1 . . . . 297 PHE N . 6695 1 1365 . 1 1 298 298 ASP H H 1 7.64 0.02 . 1 . . . . 298 ASP H . 6695 1 1366 . 1 1 298 298 ASP C C 13 178.11 0.1 . 1 . . . . 298 ASP C . 6695 1 1367 . 1 1 298 298 ASP CA C 13 56.77 0.1 . 1 . . . . 298 ASP CA . 6695 1 1368 . 1 1 298 298 ASP CB C 13 41.08 0.1 . 1 . . . . 298 ASP CB . 6695 1 1369 . 1 1 298 298 ASP N N 15 121.07 0.05 . 1 . . . . 298 ASP N . 6695 1 1370 . 1 1 299 299 TYR H H 1 8.08 0.02 . 1 . . . . 299 TYR H . 6695 1 1371 . 1 1 299 299 TYR C C 13 177.45 0.1 . 1 . . . . 299 TYR C . 6695 1 1372 . 1 1 299 299 TYR CA C 13 60.57 0.1 . 1 . . . . 299 TYR CA . 6695 1 1373 . 1 1 299 299 TYR CB C 13 38.23 0.1 . 1 . . . . 299 TYR CB . 6695 1 1374 . 1 1 299 299 TYR N N 15 124.53 0.05 . 1 . . . . 299 TYR N . 6695 1 1375 . 1 1 300 300 LYS H H 1 8.5 0.02 . 1 . . . . 300 LYS H . 6695 1 1376 . 1 1 300 300 LYS C C 13 177.99 0.1 . 1 . . . . 300 LYS C . 6695 1 1377 . 1 1 300 300 LYS CA C 13 58.75 0.1 . 1 . . . . 300 LYS CA . 6695 1 1378 . 1 1 300 300 LYS CB C 13 29.69 0.1 . 1 . . . . 300 LYS CB . 6695 1 1379 . 1 1 300 300 LYS N N 15 119.53 0.05 . 1 . . . . 300 LYS N . 6695 1 1380 . 1 1 301 301 LYS H H 1 6.81 0.02 . 1 . . . . 301 LYS H . 6695 1 1381 . 1 1 301 301 LYS C C 13 179.17 0.1 . 1 . . . . 301 LYS C . 6695 1 1382 . 1 1 301 301 LYS CA C 13 59.54 0.1 . 1 . . . . 301 LYS CA . 6695 1 1383 . 1 1 301 301 LYS CB C 13 31.24 0.1 . 1 . . . . 301 LYS CB . 6695 1 1384 . 1 1 301 301 LYS N N 15 116.9 0.05 . 1 . . . . 301 LYS N . 6695 1 1385 . 1 1 302 302 GLN H H 1 7.27 0.02 . 1 . . . . 302 GLN H . 6695 1 1386 . 1 1 302 302 GLN C C 13 179.46 0.1 . 1 . . . . 302 GLN C . 6695 1 1387 . 1 1 302 302 GLN CA C 13 58.62 0.1 . 1 . . . . 302 GLN CA . 6695 1 1388 . 1 1 302 302 GLN CB C 13 27.19 0.1 . 1 . . . . 302 GLN CB . 6695 1 1389 . 1 1 302 302 GLN N N 15 120.62 0.05 . 1 . . . . 302 GLN N . 6695 1 1390 . 1 1 303 303 LEU H H 1 8.1 0.02 . 1 . . . . 303 LEU H . 6695 1 1391 . 1 1 303 303 LEU C C 13 180.02 0.1 . 1 . . . . 303 LEU C . 6695 1 1392 . 1 1 303 303 LEU CA C 13 57.46 0.1 . 1 . . . . 303 LEU CA . 6695 1 1393 . 1 1 303 303 LEU CB C 13 41.56 0.1 . 1 . . . . 303 LEU CB . 6695 1 1394 . 1 1 303 303 LEU N N 15 121.51 0.05 . 1 . . . . 303 LEU N . 6695 1 1395 . 1 1 304 304 LYS H H 1 8.62 0.02 . 1 . . . . 304 LYS H . 6695 1 1396 . 1 1 304 304 LYS C C 13 180.98 0.1 . 1 . . . . 304 LYS C . 6695 1 1397 . 1 1 304 304 LYS CA C 13 59.82 0.1 . 1 . . . . 304 LYS CA . 6695 1 1398 . 1 1 304 304 LYS CB C 13 32.14 0.1 . 1 . . . . 304 LYS CB . 6695 1 1399 . 1 1 304 304 LYS N N 15 121.16 0.05 . 1 . . . . 304 LYS N . 6695 1 1400 . 1 1 305 305 ARG H H 1 7.88 0.02 . 1 . . . . 305 ARG H . 6695 1 1401 . 1 1 305 305 ARG C C 13 177.19 0.1 . 1 . . . . 305 ARG C . 6695 1 1402 . 1 1 305 305 ARG CA C 13 58.64 0.1 . 1 . . . . 305 ARG CA . 6695 1 1403 . 1 1 305 305 ARG CB C 13 29.26 0.1 . 1 . . . . 305 ARG CB . 6695 1 1404 . 1 1 305 305 ARG N N 15 120.61 0.05 . 1 . . . . 305 ARG N . 6695 1 1405 . 1 1 306 306 GLY H H 1 7.55 0.02 . 1 . . . . 306 GLY H . 6695 1 1406 . 1 1 306 306 GLY C C 13 173.61 0.1 . 1 . . . . 306 GLY C . 6695 1 1407 . 1 1 306 306 GLY CA C 13 44.84 0.1 . 1 . . . . 306 GLY CA . 6695 1 1408 . 1 1 306 306 GLY N N 15 106.59 0.05 . 1 . . . . 306 GLY N . 6695 1 1409 . 1 1 307 307 ASP H H 1 7.69 0.02 . 1 . . . . 307 ASP H . 6695 1 1410 . 1 1 307 307 ASP C C 13 175.56 0.1 . 1 . . . . 307 ASP C . 6695 1 1411 . 1 1 307 307 ASP CA C 13 57.18 0.1 . 1 . . . . 307 ASP CA . 6695 1 1412 . 1 1 307 307 ASP CB C 13 39.44 0.1 . 1 . . . . 307 ASP CB . 6695 1 1413 . 1 1 307 307 ASP N N 15 112.66 0.05 . 1 . . . . 307 ASP N . 6695 1 1414 . 1 1 308 308 GLN H H 1 8.26 0.02 . 1 . . . . 308 GLN H . 6695 1 1415 . 1 1 308 308 GLN C C 13 174.41 0.1 . 1 . . . . 308 GLN C . 6695 1 1416 . 1 1 308 308 GLN CA C 13 56.94 0.1 . 1 . . . . 308 GLN CA . 6695 1 1417 . 1 1 308 308 GLN CB C 13 33.46 0.1 . 1 . . . . 308 GLN CB . 6695 1 1418 . 1 1 308 308 GLN N N 15 113.58 0.05 . 1 . . . . 308 GLN N . 6695 1 1419 . 1 1 309 309 TRP H H 1 7.3 0.02 . 1 . . . . 309 TRP H . 6695 1 1420 . 1 1 309 309 TRP C C 13 173.54 0.1 . 1 . . . . 309 TRP C . 6695 1 1421 . 1 1 309 309 TRP CA C 13 57.7 0.1 . 1 . . . . 309 TRP CA . 6695 1 1422 . 1 1 309 309 TRP CB C 13 29.65 0.1 . 1 . . . . 309 TRP CB . 6695 1 1423 . 1 1 309 309 TRP N N 15 122.85 0.05 . 1 . . . . 309 TRP N . 6695 1 1424 . 1 1 310 310 ASN H H 1 8.08 0.02 . 1 . . . . 310 ASN H . 6695 1 1425 . 1 1 310 310 ASN C C 13 172.81 0.1 . 1 . . . . 310 ASN C . 6695 1 1426 . 1 1 310 310 ASN CA C 13 53.13 0.1 . 1 . . . . 310 ASN CA . 6695 1 1427 . 1 1 310 310 ASN CB C 13 41.87 0.1 . 1 . . . . 310 ASN CB . 6695 1 1428 . 1 1 310 310 ASN N N 15 128.45 0.05 . 1 . . . . 310 ASN N . 6695 1 1429 . 1 1 311 311 VAL H H 1 8.84 0.02 . 1 . . . . 311 VAL H . 6695 1 1430 . 1 1 311 311 VAL C C 13 174.99 0.1 . 1 . . . . 311 VAL C . 6695 1 1431 . 1 1 311 311 VAL CA C 13 61.33 0.1 . 1 . . . . 311 VAL CA . 6695 1 1432 . 1 1 311 311 VAL CB C 13 35.46 0.1 . 1 . . . . 311 VAL CB . 6695 1 1433 . 1 1 311 311 VAL N N 15 125.27 0.05 . 1 . . . . 311 VAL N . 6695 1 1434 . 1 1 312 312 GLU H H 1 8.85 0.02 . 1 . . . . 312 GLU H . 6695 1 1435 . 1 1 312 312 GLU C C 13 173.05 0.1 . 1 . . . . 312 GLU C . 6695 1 1436 . 1 1 312 312 GLU CA C 13 56.38 0.1 . 1 . . . . 312 GLU CA . 6695 1 1437 . 1 1 312 312 GLU CB C 13 31.15 0.1 . 1 . . . . 312 GLU CB . 6695 1 1438 . 1 1 312 312 GLU N N 15 131.16 0.05 . 1 . . . . 312 GLU N . 6695 1 1439 . 1 1 313 313 VAL H H 1 8.12 0.02 . 1 . . . . 313 VAL H . 6695 1 1440 . 1 1 313 313 VAL C C 13 176.49 0.1 . 1 . . . . 313 VAL C . 6695 1 1441 . 1 1 313 313 VAL CA C 13 57.8 0.1 . 1 . . . . 313 VAL CA . 6695 1 1442 . 1 1 313 313 VAL CB C 13 34.51 0.1 . 1 . . . . 313 VAL CB . 6695 1 1443 . 1 1 313 313 VAL N N 15 116.54 0.05 . 1 . . . . 313 VAL N . 6695 1 1444 . 1 1 314 314 TYR H H 1 7.81 0.02 . 1 . . . . 314 TYR H . 6695 1 1445 . 1 1 314 314 TYR C C 13 179.33 0.1 . 1 . . . . 314 TYR C . 6695 1 1446 . 1 1 314 314 TYR CA C 13 57.5 0.1 . 1 . . . . 314 TYR CA . 6695 1 1447 . 1 1 314 314 TYR CB C 13 38.98 0.1 . 1 . . . . 314 TYR CB . 6695 1 1448 . 1 1 314 314 TYR N N 15 123.87 0.05 . 1 . . . . 314 TYR N . 6695 1 stop_ save_