data_11522 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11522 _Entry.Title ; 1H, 13C and 15N backbone resonance assignments of the monomeric human M-ficolin fibrinogen-like domain secreted by Brevibacillus choshinensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-22 _Entry.Accession_date 2013-02-22 _Entry.Last_release_date 2013-06-04 _Entry.Original_release_date 2013-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michikazu Tanio . . . 11522 2 Hideki Kusunoki . . . 11522 3 Toshiyuki Kohno . . . 11522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 650 11522 '15N chemical shifts' 208 11522 '1H chemical shifts' 208 11522 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 . . 2013-06-04 2013-02-21 original author . 11522 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11522 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23708873 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N backbone resonance assignments of the monomeric human M-ficolin fibrinogen-like domain secreted by Brevibacillus choshinensis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Michikazu Tanio . . . 11522 1 2 Hideki Kusunoki . . . 11522 1 3 Toshiyuki Kohno . . . 11522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11522 _Assembly.ID 1 _Assembly.Name 'the monomeric human M-ficolin fibrinogen-like domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'the monomeric human M-ficolin fibrinogen-like domain' 1 $M-ficolin A . yes native no no . . . 11522 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 35 35 SG . . 118 CYS . . . 146 CYS . 11522 1 2 disulfide single . 1 . 1 CYS 159 159 SG . 1 . 1 CYS 172 172 SG . . 270 CYS . . . 283 CYS . 11522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M-ficolin _Entity.Sf_category entity _Entity.Sf_framecode M-ficolin _Entity.Entry_ID 11522 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M-ficolin _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 ; AGSPRNCKDLLDRGYSSSGW HTIYLPDCRPLTVLCDMDTD GGGWTVFQRRMDGSVDFYRD WAAYKQGFGSQLGEFWLGND NIHALTAQGSSELRVDLVDF EGNHQFAKYKSFKVADEAEK YKLVLGAFVGGSAGNSLTGH NNNFFSTKDQDNDVSSSNCA EKFQGAWWYADCHASNLNGL YLMGPHESYANGINWSAAKG YKYSYKVSEMKVRPAFLEQK LISEEDLNSAVDHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 112-114 at the N-terminus and 327-350 at the C-terminus are non-native sequances. This is a monomeric mutant of the M-ficolin fibrinogen-like domain. ; _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 238 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation F127S/L128S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D39 . "Trivalent Recognition Unit Of Innate Immunity System; Crystal Structure Of Human M-Ficolin Fibrinogen-Like Domain" . . . . . 98.74 237 99.15 99.15 3.17e-172 . . . . 11522 1 2 no PDB 2JHH . "Structure Of Globular Heads Of M-Ficolin At Acidic Ph" . . . . . 90.34 218 97.67 97.67 1.61e-153 . . . . 11522 1 3 no PDB 2JHI . "Structure Of Globular Heads Of M-Ficolin Complexed With N- Acetyl-D-Galactosamine" . . . . . 90.34 218 97.21 97.67 1.21e-152 . . . . 11522 1 4 no PDB 2JHK . "Structure Of Globular Heads Of M-Ficolin Complexed With N- Acetyl-D-Glucosamine" . . . . . 90.34 218 97.21 97.67 1.21e-152 . . . . 11522 1 5 no PDB 2JHL . "Structure Of Globular Heads Of M-Ficolin Complexed With Sialic Acid" . . . . . 90.34 218 97.67 97.67 1.61e-153 . . . . 11522 1 6 no PDB 2JHM . "Structure Of Globular Heads Of M-Ficolin At Neutral Ph" . . . . . 90.34 218 97.67 97.67 1.61e-153 . . . . 11522 1 7 no PDB 2WNP . "M-Ficolin Mutant Y271f" . . . . . 90.34 217 97.67 98.14 1.74e-153 . . . . 11522 1 8 no DBJ BAA12120 . "ficolin [Homo sapiens]" . . . . . 90.34 319 98.14 98.14 1.21e-153 . . . . 11522 1 9 no DBJ BAG37382 . "unnamed protein product [Homo sapiens]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 10 no GB AAB50706 . "ficolin [Homo sapiens]" . . . . . 90.34 326 97.21 97.67 3.48e-152 . . . . 11522 1 11 no GB AAH20635 . "Ficolin (collagen/fibrinogen domain containing) 1 [Homo sapiens]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 12 no GB ABM82352 . "ficolin (collagen/fibrinogen domain containing) 1 [synthetic construct]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 13 no GB ABM85362 . "ficolin (collagen/fibrinogen domain containing) 1 [synthetic construct]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 14 no GB AIC54383 . "FCN1, partial [synthetic construct]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 15 no REF NP_001994 . "ficolin-1 precursor [Homo sapiens]" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 1 16 no REF XP_004048886 . "PREDICTED: ficolin-1 [Gorilla gorilla gorilla]" . . . . . 90.34 319 97.21 97.67 6.59e-152 . . . . 11522 1 17 no SP O00602 . "RecName: Full=Ficolin-1; AltName: Full=Collagen/fibrinogen domain-containing protein 1; AltName: Full=Ficolin-A; AltName: Full=" . . . . . 90.34 326 98.14 98.14 8.40e-154 . . . . 11522 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 1 112 ALA . 11522 1 2 113 GLY . 11522 1 3 114 SER . 11522 1 4 115 PRO . 11522 1 5 116 ARG . 11522 1 6 117 ASN . 11522 1 7 118 CYS . 11522 1 8 119 LYS . 11522 1 9 120 ASP . 11522 1 10 121 LEU . 11522 1 11 122 LEU . 11522 1 12 123 ASP . 11522 1 13 124 ARG . 11522 1 14 125 GLY . 11522 1 15 126 TYR . 11522 1 16 127 SER . 11522 1 17 128 SER . 11522 1 18 129 SER . 11522 1 19 130 GLY . 11522 1 20 131 TRP . 11522 1 21 132 HIS . 11522 1 22 133 THR . 11522 1 23 134 ILE . 11522 1 24 135 TYR . 11522 1 25 136 LEU . 11522 1 26 137 PRO . 11522 1 27 138 ASP . 11522 1 28 139 CYS . 11522 1 29 140 ARG . 11522 1 30 141 PRO . 11522 1 31 142 LEU . 11522 1 32 143 THR . 11522 1 33 144 VAL . 11522 1 34 145 LEU . 11522 1 35 146 CYS . 11522 1 36 147 ASP . 11522 1 37 148 MET . 11522 1 38 149 ASP . 11522 1 39 150 THR . 11522 1 40 151 ASP . 11522 1 41 152 GLY . 11522 1 42 153 GLY . 11522 1 43 154 GLY . 11522 1 44 155 TRP . 11522 1 45 156 THR . 11522 1 46 157 VAL . 11522 1 47 158 PHE . 11522 1 48 159 GLN . 11522 1 49 160 ARG . 11522 1 50 161 ARG . 11522 1 51 162 MET . 11522 1 52 163 ASP . 11522 1 53 164 GLY . 11522 1 54 165 SER . 11522 1 55 166 VAL . 11522 1 56 167 ASP . 11522 1 57 168 PHE . 11522 1 58 169 TYR . 11522 1 59 170 ARG . 11522 1 60 171 ASP . 11522 1 61 172 TRP . 11522 1 62 173 ALA . 11522 1 63 174 ALA . 11522 1 64 175 TYR . 11522 1 65 176 LYS . 11522 1 66 177 GLN . 11522 1 67 178 GLY . 11522 1 68 179 PHE . 11522 1 69 180 GLY . 11522 1 70 181 SER . 11522 1 71 182 GLN . 11522 1 72 183 LEU . 11522 1 73 184 GLY . 11522 1 74 185 GLU . 11522 1 75 186 PHE . 11522 1 76 187 TRP . 11522 1 77 188 LEU . 11522 1 78 189 GLY . 11522 1 79 190 ASN . 11522 1 80 191 ASP . 11522 1 81 192 ASN . 11522 1 82 193 ILE . 11522 1 83 194 HIS . 11522 1 84 195 ALA . 11522 1 85 196 LEU . 11522 1 86 197 THR . 11522 1 87 198 ALA . 11522 1 88 199 GLN . 11522 1 89 200 GLY . 11522 1 90 201 SER . 11522 1 91 202 SER . 11522 1 92 203 GLU . 11522 1 93 204 LEU . 11522 1 94 205 ARG . 11522 1 95 206 VAL . 11522 1 96 207 ASP . 11522 1 97 208 LEU . 11522 1 98 209 VAL . 11522 1 99 210 ASP . 11522 1 100 211 PHE . 11522 1 101 212 GLU . 11522 1 102 213 GLY . 11522 1 103 214 ASN . 11522 1 104 215 HIS . 11522 1 105 216 GLN . 11522 1 106 217 PHE . 11522 1 107 218 ALA . 11522 1 108 219 LYS . 11522 1 109 220 TYR . 11522 1 110 221 LYS . 11522 1 111 222 SER . 11522 1 112 223 PHE . 11522 1 113 224 LYS . 11522 1 114 225 VAL . 11522 1 115 226 ALA . 11522 1 116 227 ASP . 11522 1 117 228 GLU . 11522 1 118 229 ALA . 11522 1 119 230 GLU . 11522 1 120 231 LYS . 11522 1 121 232 TYR . 11522 1 122 233 LYS . 11522 1 123 234 LEU . 11522 1 124 235 VAL . 11522 1 125 236 LEU . 11522 1 126 237 GLY . 11522 1 127 238 ALA . 11522 1 128 239 PHE . 11522 1 129 240 VAL . 11522 1 130 241 GLY . 11522 1 131 242 GLY . 11522 1 132 243 SER . 11522 1 133 244 ALA . 11522 1 134 245 GLY . 11522 1 135 246 ASN . 11522 1 136 247 SER . 11522 1 137 248 LEU . 11522 1 138 249 THR . 11522 1 139 250 GLY . 11522 1 140 251 HIS . 11522 1 141 252 ASN . 11522 1 142 253 ASN . 11522 1 143 254 ASN . 11522 1 144 255 PHE . 11522 1 145 256 PHE . 11522 1 146 257 SER . 11522 1 147 258 THR . 11522 1 148 259 LYS . 11522 1 149 260 ASP . 11522 1 150 261 GLN . 11522 1 151 262 ASP . 11522 1 152 263 ASN . 11522 1 153 264 ASP . 11522 1 154 265 VAL . 11522 1 155 266 SER . 11522 1 156 267 SER . 11522 1 157 268 SER . 11522 1 158 269 ASN . 11522 1 159 270 CYS . 11522 1 160 271 ALA . 11522 1 161 272 GLU . 11522 1 162 273 LYS . 11522 1 163 274 PHE . 11522 1 164 275 GLN . 11522 1 165 276 GLY . 11522 1 166 277 ALA . 11522 1 167 278 TRP . 11522 1 168 279 TRP . 11522 1 169 280 TYR . 11522 1 170 281 ALA . 11522 1 171 282 ASP . 11522 1 172 283 CYS . 11522 1 173 284 HIS . 11522 1 174 285 ALA . 11522 1 175 286 SER . 11522 1 176 287 ASN . 11522 1 177 288 LEU . 11522 1 178 289 ASN . 11522 1 179 290 GLY . 11522 1 180 291 LEU . 11522 1 181 292 TYR . 11522 1 182 293 LEU . 11522 1 183 294 MET . 11522 1 184 295 GLY . 11522 1 185 296 PRO . 11522 1 186 297 HIS . 11522 1 187 298 GLU . 11522 1 188 299 SER . 11522 1 189 300 TYR . 11522 1 190 301 ALA . 11522 1 191 302 ASN . 11522 1 192 303 GLY . 11522 1 193 304 ILE . 11522 1 194 305 ASN . 11522 1 195 306 TRP . 11522 1 196 307 SER . 11522 1 197 308 ALA . 11522 1 198 309 ALA . 11522 1 199 310 LYS . 11522 1 200 311 GLY . 11522 1 201 312 TYR . 11522 1 202 313 LYS . 11522 1 203 314 TYR . 11522 1 204 315 SER . 11522 1 205 316 TYR . 11522 1 206 317 LYS . 11522 1 207 318 VAL . 11522 1 208 319 SER . 11522 1 209 320 GLU . 11522 1 210 321 MET . 11522 1 211 322 LYS . 11522 1 212 323 VAL . 11522 1 213 324 ARG . 11522 1 214 325 PRO . 11522 1 215 326 ALA . 11522 1 216 327 PHE . 11522 1 217 328 LEU . 11522 1 218 329 GLU . 11522 1 219 330 GLN . 11522 1 220 331 LYS . 11522 1 221 332 LEU . 11522 1 222 333 ILE . 11522 1 223 334 SER . 11522 1 224 335 GLU . 11522 1 225 336 GLU . 11522 1 226 337 ASP . 11522 1 227 338 LEU . 11522 1 228 339 ASN . 11522 1 229 340 SER . 11522 1 230 341 ALA . 11522 1 231 342 VAL . 11522 1 232 343 ASP . 11522 1 233 344 HIS . 11522 1 234 345 HIS . 11522 1 235 346 HIS . 11522 1 236 347 HIS . 11522 1 237 348 HIS . 11522 1 238 349 HIS . 11522 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 . ALA 1 1 11522 1 . GLY 2 2 11522 1 . SER 3 3 11522 1 . PRO 4 4 11522 1 . ARG 5 5 11522 1 . ASN 6 6 11522 1 . CYS 7 7 11522 1 . LYS 8 8 11522 1 . ASP 9 9 11522 1 . LEU 10 10 11522 1 . LEU 11 11 11522 1 . ASP 12 12 11522 1 . ARG 13 13 11522 1 . GLY 14 14 11522 1 . TYR 15 15 11522 1 . SER 16 16 11522 1 . SER 17 17 11522 1 . SER 18 18 11522 1 . GLY 19 19 11522 1 . TRP 20 20 11522 1 . HIS 21 21 11522 1 . THR 22 22 11522 1 . ILE 23 23 11522 1 . TYR 24 24 11522 1 . LEU 25 25 11522 1 . PRO 26 26 11522 1 . ASP 27 27 11522 1 . CYS 28 28 11522 1 . ARG 29 29 11522 1 . PRO 30 30 11522 1 . LEU 31 31 11522 1 . THR 32 32 11522 1 . VAL 33 33 11522 1 . LEU 34 34 11522 1 . CYS 35 35 11522 1 . ASP 36 36 11522 1 . MET 37 37 11522 1 . ASP 38 38 11522 1 . THR 39 39 11522 1 . ASP 40 40 11522 1 . GLY 41 41 11522 1 . GLY 42 42 11522 1 . GLY 43 43 11522 1 . TRP 44 44 11522 1 . THR 45 45 11522 1 . VAL 46 46 11522 1 . PHE 47 47 11522 1 . GLN 48 48 11522 1 . ARG 49 49 11522 1 . ARG 50 50 11522 1 . MET 51 51 11522 1 . ASP 52 52 11522 1 . GLY 53 53 11522 1 . SER 54 54 11522 1 . VAL 55 55 11522 1 . ASP 56 56 11522 1 . PHE 57 57 11522 1 . TYR 58 58 11522 1 . ARG 59 59 11522 1 . ASP 60 60 11522 1 . TRP 61 61 11522 1 . ALA 62 62 11522 1 . ALA 63 63 11522 1 . TYR 64 64 11522 1 . LYS 65 65 11522 1 . GLN 66 66 11522 1 . GLY 67 67 11522 1 . PHE 68 68 11522 1 . GLY 69 69 11522 1 . SER 70 70 11522 1 . GLN 71 71 11522 1 . LEU 72 72 11522 1 . GLY 73 73 11522 1 . GLU 74 74 11522 1 . PHE 75 75 11522 1 . TRP 76 76 11522 1 . LEU 77 77 11522 1 . GLY 78 78 11522 1 . ASN 79 79 11522 1 . ASP 80 80 11522 1 . ASN 81 81 11522 1 . ILE 82 82 11522 1 . HIS 83 83 11522 1 . ALA 84 84 11522 1 . LEU 85 85 11522 1 . THR 86 86 11522 1 . ALA 87 87 11522 1 . GLN 88 88 11522 1 . GLY 89 89 11522 1 . SER 90 90 11522 1 . SER 91 91 11522 1 . GLU 92 92 11522 1 . LEU 93 93 11522 1 . ARG 94 94 11522 1 . VAL 95 95 11522 1 . ASP 96 96 11522 1 . LEU 97 97 11522 1 . VAL 98 98 11522 1 . ASP 99 99 11522 1 . PHE 100 100 11522 1 . GLU 101 101 11522 1 . GLY 102 102 11522 1 . ASN 103 103 11522 1 . HIS 104 104 11522 1 . GLN 105 105 11522 1 . PHE 106 106 11522 1 . ALA 107 107 11522 1 . LYS 108 108 11522 1 . TYR 109 109 11522 1 . LYS 110 110 11522 1 . SER 111 111 11522 1 . PHE 112 112 11522 1 . LYS 113 113 11522 1 . VAL 114 114 11522 1 . ALA 115 115 11522 1 . ASP 116 116 11522 1 . GLU 117 117 11522 1 . ALA 118 118 11522 1 . GLU 119 119 11522 1 . LYS 120 120 11522 1 . TYR 121 121 11522 1 . LYS 122 122 11522 1 . LEU 123 123 11522 1 . VAL 124 124 11522 1 . LEU 125 125 11522 1 . GLY 126 126 11522 1 . ALA 127 127 11522 1 . PHE 128 128 11522 1 . VAL 129 129 11522 1 . GLY 130 130 11522 1 . GLY 131 131 11522 1 . SER 132 132 11522 1 . ALA 133 133 11522 1 . GLY 134 134 11522 1 . ASN 135 135 11522 1 . SER 136 136 11522 1 . LEU 137 137 11522 1 . THR 138 138 11522 1 . GLY 139 139 11522 1 . HIS 140 140 11522 1 . ASN 141 141 11522 1 . ASN 142 142 11522 1 . ASN 143 143 11522 1 . PHE 144 144 11522 1 . PHE 145 145 11522 1 . SER 146 146 11522 1 . THR 147 147 11522 1 . LYS 148 148 11522 1 . ASP 149 149 11522 1 . GLN 150 150 11522 1 . ASP 151 151 11522 1 . ASN 152 152 11522 1 . ASP 153 153 11522 1 . VAL 154 154 11522 1 . SER 155 155 11522 1 . SER 156 156 11522 1 . SER 157 157 11522 1 . ASN 158 158 11522 1 . CYS 159 159 11522 1 . ALA 160 160 11522 1 . GLU 161 161 11522 1 . LYS 162 162 11522 1 . PHE 163 163 11522 1 . GLN 164 164 11522 1 . GLY 165 165 11522 1 . ALA 166 166 11522 1 . TRP 167 167 11522 1 . TRP 168 168 11522 1 . TYR 169 169 11522 1 . ALA 170 170 11522 1 . ASP 171 171 11522 1 . CYS 172 172 11522 1 . HIS 173 173 11522 1 . ALA 174 174 11522 1 . SER 175 175 11522 1 . ASN 176 176 11522 1 . LEU 177 177 11522 1 . ASN 178 178 11522 1 . GLY 179 179 11522 1 . LEU 180 180 11522 1 . TYR 181 181 11522 1 . LEU 182 182 11522 1 . MET 183 183 11522 1 . GLY 184 184 11522 1 . PRO 185 185 11522 1 . HIS 186 186 11522 1 . GLU 187 187 11522 1 . SER 188 188 11522 1 . TYR 189 189 11522 1 . ALA 190 190 11522 1 . ASN 191 191 11522 1 . GLY 192 192 11522 1 . ILE 193 193 11522 1 . ASN 194 194 11522 1 . TRP 195 195 11522 1 . SER 196 196 11522 1 . ALA 197 197 11522 1 . ALA 198 198 11522 1 . LYS 199 199 11522 1 . GLY 200 200 11522 1 . TYR 201 201 11522 1 . LYS 202 202 11522 1 . TYR 203 203 11522 1 . SER 204 204 11522 1 . TYR 205 205 11522 1 . LYS 206 206 11522 1 . VAL 207 207 11522 1 . SER 208 208 11522 1 . GLU 209 209 11522 1 . MET 210 210 11522 1 . LYS 211 211 11522 1 . VAL 212 212 11522 1 . ARG 213 213 11522 1 . PRO 214 214 11522 1 . ALA 215 215 11522 1 . PHE 216 216 11522 1 . LEU 217 217 11522 1 . GLU 218 218 11522 1 . GLN 219 219 11522 1 . LYS 220 220 11522 1 . LEU 221 221 11522 1 . ILE 222 222 11522 1 . SER 223 223 11522 1 . GLU 224 224 11522 1 . GLU 225 225 11522 1 . ASP 226 226 11522 1 . LEU 227 227 11522 1 . ASN 228 228 11522 1 . SER 229 229 11522 1 . ALA 230 230 11522 1 . VAL 231 231 11522 1 . ASP 232 232 11522 1 . HIS 233 233 11522 1 . HIS 234 234 11522 1 . HIS 235 235 11522 1 . HIS 236 236 11522 1 . HIS 237 237 11522 1 . HIS 238 238 11522 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11522 _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 $M-ficolin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11522 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 11522 _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 $M-ficolin . 'recombinant technology' 'Brevibacillus choshinensis' . . 54911 Brevibacillus choshinensis HPD31-SP3 . . . . . . . . . . . . . . . pNCMO2 . . . . . . 11522 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11522 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 M-ficolin '[U-13C; U-15N; U-2H]' . . 1 $M-ficolin . protein . 0.02 0.65 mM . . . . 11522 1 2 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11522 1 3 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11522 1 4 MES 'natural abundance' . . . . . buffer 10 . . mM . . . . 11522 1 5 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11522 1 6 'calcium chloride' 'natural abundance' . . . . . salt 5 . . mM . . . . 11522 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11522 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 11522 1 pH 7 . pH 11522 1 pressure 1 . atm 11522 1 temperature 303 . K 11522 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11522 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11522 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11522 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11522 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 11522 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11522 _Experiment_list.ID 1 _Experiment_list.Details ; Chemical shift data were obtained from TROSY experiments with a deuterated sample without any corrections for effects of TROSY and isotope. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 2 '3D TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 3 '3D TROSY HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 4 '3D TROSY HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 5 '3D TROSY HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 6 '3D TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 7 '3D TROSY HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11522 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11522 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11522 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11522 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11522 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' 1 $sample_1 isotropic 11522 1 2 '3D TROSY HNCACB' 1 $sample_1 isotropic 11522 1 3 '3D TROSY HN(COCA)CB' 1 $sample_1 isotropic 11522 1 4 '3D TROSY HNCA' 1 $sample_1 isotropic 11522 1 5 '3D TROSY HN(CO)CA' 1 $sample_1 isotropic 11522 1 6 '3D TROSY HNCO' 1 $sample_1 isotropic 11522 1 7 '3D TROSY HN(CA)CO' 1 $sample_1 isotropic 11522 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 11522 1 'TROSY effect' 'all 1H' . . . 11522 1 'TROSY effect' 'all 15N' . . . 11522 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 4 4 PRO C C 13 176.944 0.2 . 1 . . . . 115 PRO C . 11522 1 2 . 1 1 4 4 PRO CA C 13 62.76 0.2 . 1 . . . . 115 PRO CA . 11522 1 3 . 1 1 4 4 PRO CB C 13 32.08 0.2 . 1 . . . . 115 PRO CB . 11522 1 4 . 1 1 5 5 ARG H H 1 9.987 0.01 . 1 . . . . 116 ARG H . 11522 1 5 . 1 1 5 5 ARG C C 13 175.706 0.2 . 1 . . . . 116 ARG C . 11522 1 6 . 1 1 5 5 ARG CA C 13 54.771 0.2 . 1 . . . . 116 ARG CA . 11522 1 7 . 1 1 5 5 ARG CB C 13 30.985 0.2 . 1 . . . . 116 ARG CB . 11522 1 8 . 1 1 5 5 ARG N N 15 121.949 0.1 . 1 . . . . 116 ARG N . 11522 1 9 . 1 1 6 6 ASN H H 1 7.421 0.01 . 1 . . . . 117 ASN H . 11522 1 10 . 1 1 6 6 ASN C C 13 174.721 0.2 . 1 . . . . 117 ASN C . 11522 1 11 . 1 1 6 6 ASN CA C 13 52.485 0.2 . 1 . . . . 117 ASN CA . 11522 1 12 . 1 1 6 6 ASN CB C 13 37.91 0.2 . 1 . . . . 117 ASN CB . 11522 1 13 . 1 1 6 6 ASN N N 15 107.037 0.1 . 1 . . . . 117 ASN N . 11522 1 14 . 1 1 7 7 CYS H H 1 7.161 0.01 . 1 . . . . 118 CYS H . 11522 1 15 . 1 1 7 7 CYS C C 13 174.667 0.2 . 1 . . . . 118 CYS C . 11522 1 16 . 1 1 7 7 CYS CA C 13 59.664 0.2 . 1 . . . . 118 CYS CA . 11522 1 17 . 1 1 7 7 CYS CB C 13 38.93 0.2 . 1 . . . . 118 CYS CB . 11522 1 18 . 1 1 7 7 CYS N N 15 114.284 0.1 . 1 . . . . 118 CYS N . 11522 1 19 . 1 1 8 8 LYS H H 1 8.113 0.01 . 1 . . . . 119 LYS H . 11522 1 20 . 1 1 8 8 LYS C C 13 177.138 0.2 . 1 . . . . 119 LYS C . 11522 1 21 . 1 1 8 8 LYS CA C 13 58.646 0.2 . 1 . . . . 119 LYS CA . 11522 1 22 . 1 1 8 8 LYS CB C 13 30.281 0.2 . 1 . . . . 119 LYS CB . 11522 1 23 . 1 1 8 8 LYS N N 15 127.891 0.1 . 1 . . . . 119 LYS N . 11522 1 24 . 1 1 9 9 ASP H H 1 8.147 0.01 . 1 . . . . 120 ASP H . 11522 1 25 . 1 1 9 9 ASP C C 13 179.33 0.2 . 1 . . . . 120 ASP C . 11522 1 26 . 1 1 9 9 ASP CA C 13 56.897 0.2 . 1 . . . . 120 ASP CA . 11522 1 27 . 1 1 9 9 ASP CB C 13 40.63 0.2 . 1 . . . . 120 ASP CB . 11522 1 28 . 1 1 9 9 ASP N N 15 120.558 0.1 . 1 . . . . 120 ASP N . 11522 1 29 . 1 1 10 10 LEU H H 1 6.759 0.01 . 1 . . . . 121 LEU H . 11522 1 30 . 1 1 10 10 LEU C C 13 178.329 0.2 . 1 . . . . 121 LEU C . 11522 1 31 . 1 1 10 10 LEU CA C 13 57.576 0.2 . 1 . . . . 121 LEU CA . 11522 1 32 . 1 1 10 10 LEU CB C 13 39.965 0.2 . 1 . . . . 121 LEU CB . 11522 1 33 . 1 1 10 10 LEU N N 15 116.51 0.1 . 1 . . . . 121 LEU N . 11522 1 34 . 1 1 11 11 LEU H H 1 7.903 0.01 . 1 . . . . 122 LEU H . 11522 1 35 . 1 1 11 11 LEU C C 13 181.275 0.2 . 1 . . . . 122 LEU C . 11522 1 36 . 1 1 11 11 LEU CA C 13 57.938 0.2 . 1 . . . . 122 LEU CA . 11522 1 37 . 1 1 11 11 LEU CB C 13 40.733 0.2 . 1 . . . . 122 LEU CB . 11522 1 38 . 1 1 11 11 LEU N N 15 126.08 0.1 . 1 . . . . 122 LEU N . 11522 1 39 . 1 1 12 12 ASP H H 1 8.525 0.01 . 1 . . . . 123 ASP H . 11522 1 40 . 1 1 12 12 ASP C C 13 177.836 0.2 . 1 . . . . 123 ASP C . 11522 1 41 . 1 1 12 12 ASP CA C 13 56.464 0.2 . 1 . . . . 123 ASP CA . 11522 1 42 . 1 1 12 12 ASP CB C 13 39.49 0.2 . 1 . . . . 123 ASP CB . 11522 1 43 . 1 1 12 12 ASP N N 15 120.605 0.1 . 1 . . . . 123 ASP N . 11522 1 44 . 1 1 13 13 ARG H H 1 7.497 0.01 . 1 . . . . 124 ARG H . 11522 1 45 . 1 1 13 13 ARG C C 13 176.086 0.2 . 1 . . . . 124 ARG C . 11522 1 46 . 1 1 13 13 ARG CA C 13 55.546 0.2 . 1 . . . . 124 ARG CA . 11522 1 47 . 1 1 13 13 ARG CB C 13 29.9 0.2 . 1 . . . . 124 ARG CB . 11522 1 48 . 1 1 13 13 ARG N N 15 118.258 0.1 . 1 . . . . 124 ARG N . 11522 1 49 . 1 1 14 14 GLY H H 1 7.828 0.01 . 1 . . . . 125 GLY H . 11522 1 50 . 1 1 14 14 GLY C C 13 174.595 0.2 . 1 . . . . 125 GLY C . 11522 1 51 . 1 1 14 14 GLY CA C 13 45.047 0.2 . 1 . . . . 125 GLY CA . 11522 1 52 . 1 1 14 14 GLY N N 15 107.172 0.1 . 1 . . . . 125 GLY N . 11522 1 53 . 1 1 15 15 TYR H H 1 8.008 0.01 . 1 . . . . 126 TYR H . 11522 1 54 . 1 1 15 15 TYR C C 13 174.213 0.2 . 1 . . . . 126 TYR C . 11522 1 55 . 1 1 15 15 TYR CA C 13 57.614 0.2 . 1 . . . . 126 TYR CA . 11522 1 56 . 1 1 15 15 TYR CB C 13 34.994 0.2 . 1 . . . . 126 TYR CB . 11522 1 57 . 1 1 15 15 TYR N N 15 122.873 0.1 . 1 . . . . 126 TYR N . 11522 1 58 . 1 1 16 16 SER H H 1 7.628 0.01 . 1 . . . . 127 SER H . 11522 1 59 . 1 1 16 16 SER C C 13 174.555 0.2 . 1 . . . . 127 SER C . 11522 1 60 . 1 1 16 16 SER CA C 13 57.627 0.2 . 1 . . . . 127 SER CA . 11522 1 61 . 1 1 16 16 SER CB C 13 64.002 0.2 . 1 . . . . 127 SER CB . 11522 1 62 . 1 1 16 16 SER N N 15 114.002 0.1 . 1 . . . . 127 SER N . 11522 1 63 . 1 1 17 17 SER H H 1 8.083 0.01 . 1 . . . . 128 SER H . 11522 1 64 . 1 1 17 17 SER C C 13 174.457 0.2 . 1 . . . . 128 SER C . 11522 1 65 . 1 1 17 17 SER CA C 13 57.003 0.2 . 1 . . . . 128 SER CA . 11522 1 66 . 1 1 17 17 SER CB C 13 63.809 0.2 . 1 . . . . 128 SER CB . 11522 1 67 . 1 1 17 17 SER N N 15 117.39 0.1 . 1 . . . . 128 SER N . 11522 1 68 . 1 1 18 18 SER H H 1 9.163 0.01 . 1 . . . . 129 SER H . 11522 1 69 . 1 1 18 18 SER C C 13 173.376 0.2 . 1 . . . . 129 SER C . 11522 1 70 . 1 1 18 18 SER CA C 13 60.253 0.2 . 1 . . . . 129 SER CA . 11522 1 71 . 1 1 18 18 SER CB C 13 63.233 0.2 . 1 . . . . 129 SER CB . 11522 1 72 . 1 1 18 18 SER N N 15 123.829 0.1 . 1 . . . . 129 SER N . 11522 1 73 . 1 1 19 19 GLY H H 1 8.22 0.01 . 1 . . . . 130 GLY H . 11522 1 74 . 1 1 19 19 GLY C C 13 172.427 0.2 . 1 . . . . 130 GLY C . 11522 1 75 . 1 1 19 19 GLY CA C 13 43.685 0.2 . 1 . . . . 130 GLY CA . 11522 1 76 . 1 1 19 19 GLY N N 15 110.312 0.1 . 1 . . . . 130 GLY N . 11522 1 77 . 1 1 20 20 TRP H H 1 8.625 0.01 . 1 . . . . 131 TRP H . 11522 1 78 . 1 1 20 20 TRP C C 13 176.735 0.2 . 1 . . . . 131 TRP C . 11522 1 79 . 1 1 20 20 TRP CA C 13 56.992 0.2 . 1 . . . . 131 TRP CA . 11522 1 80 . 1 1 20 20 TRP CB C 13 28.226 0.2 . 1 . . . . 131 TRP CB . 11522 1 81 . 1 1 20 20 TRP N N 15 124.756 0.1 . 1 . . . . 131 TRP N . 11522 1 82 . 1 1 21 21 HIS H H 1 9.77 0.01 . 1 . . . . 132 HIS H . 11522 1 83 . 1 1 21 21 HIS C C 13 173.863 0.2 . 1 . . . . 132 HIS C . 11522 1 84 . 1 1 21 21 HIS CA C 13 55.246 0.2 . 1 . . . . 132 HIS CA . 11522 1 85 . 1 1 21 21 HIS CB C 13 36.935 0.2 . 1 . . . . 132 HIS CB . 11522 1 86 . 1 1 21 21 HIS N N 15 124.84 0.1 . 1 . . . . 132 HIS N . 11522 1 87 . 1 1 22 22 THR H H 1 8.521 0.01 . 1 . . . . 133 THR H . 11522 1 88 . 1 1 22 22 THR C C 13 173.904 0.2 . 1 . . . . 133 THR C . 11522 1 89 . 1 1 22 22 THR CA C 13 63.276 0.2 . 1 . . . . 133 THR CA . 11522 1 90 . 1 1 22 22 THR CB C 13 69.257 0.2 . 1 . . . . 133 THR CB . 11522 1 91 . 1 1 22 22 THR N N 15 118.217 0.1 . 1 . . . . 133 THR N . 11522 1 92 . 1 1 23 23 ILE H H 1 8.648 0.01 . 1 . . . . 134 ILE H . 11522 1 93 . 1 1 23 23 ILE C C 13 172.899 0.2 . 1 . . . . 134 ILE C . 11522 1 94 . 1 1 23 23 ILE CA C 13 58.275 0.2 . 1 . . . . 134 ILE CA . 11522 1 95 . 1 1 23 23 ILE CB C 13 40.968 0.2 . 1 . . . . 134 ILE CB . 11522 1 96 . 1 1 23 23 ILE N N 15 120.268 0.1 . 1 . . . . 134 ILE N . 11522 1 97 . 1 1 24 24 TYR H H 1 8.404 0.01 . 1 . . . . 135 TYR H . 11522 1 98 . 1 1 24 24 TYR C C 13 176.643 0.2 . 1 . . . . 135 TYR C . 11522 1 99 . 1 1 24 24 TYR CA C 13 57.228 0.2 . 1 . . . . 135 TYR CA . 11522 1 100 . 1 1 24 24 TYR CB C 13 39.541 0.2 . 1 . . . . 135 TYR CB . 11522 1 101 . 1 1 24 24 TYR N N 15 116.934 0.1 . 1 . . . . 135 TYR N . 11522 1 102 . 1 1 25 25 LEU H H 1 8.668 0.01 . 1 . . . . 136 LEU H . 11522 1 103 . 1 1 25 25 LEU C C 13 176.733 0.2 . 1 . . . . 136 LEU C . 11522 1 104 . 1 1 25 25 LEU CA C 13 53.996 0.2 . 1 . . . . 136 LEU CA . 11522 1 105 . 1 1 25 25 LEU CB C 13 39.366 0.2 . 1 . . . . 136 LEU CB . 11522 1 106 . 1 1 25 25 LEU N N 15 125.305 0.1 . 1 . . . . 136 LEU N . 11522 1 107 . 1 1 30 30 PRO C C 13 176.435 0.2 . 1 . . . . 141 PRO C . 11522 1 108 . 1 1 30 30 PRO CA C 13 61.225 0.2 . 1 . . . . 141 PRO CA . 11522 1 109 . 1 1 30 30 PRO CB C 13 31.309 0.2 . 1 . . . . 141 PRO CB . 11522 1 110 . 1 1 31 31 LEU H H 1 8.941 0.01 . 1 . . . . 142 LEU H . 11522 1 111 . 1 1 31 31 LEU C C 13 174.469 0.2 . 1 . . . . 142 LEU C . 11522 1 112 . 1 1 31 31 LEU CA C 13 53.902 0.2 . 1 . . . . 142 LEU CA . 11522 1 113 . 1 1 31 31 LEU CB C 13 45.176 0.2 . 1 . . . . 142 LEU CB . 11522 1 114 . 1 1 31 31 LEU N N 15 125.087 0.1 . 1 . . . . 142 LEU N . 11522 1 115 . 1 1 32 32 THR H H 1 8.285 0.01 . 1 . . . . 143 THR H . 11522 1 116 . 1 1 32 32 THR C C 13 173.466 0.2 . 1 . . . . 143 THR C . 11522 1 117 . 1 1 32 32 THR CA C 13 62.234 0.2 . 1 . . . . 143 THR CA . 11522 1 118 . 1 1 32 32 THR CB C 13 68.246 0.2 . 1 . . . . 143 THR CB . 11522 1 119 . 1 1 32 32 THR N N 15 124.867 0.1 . 1 . . . . 143 THR N . 11522 1 120 . 1 1 33 33 VAL H H 1 9.101 0.01 . 1 . . . . 144 VAL H . 11522 1 121 . 1 1 33 33 VAL C C 13 172.816 0.2 . 1 . . . . 144 VAL C . 11522 1 122 . 1 1 33 33 VAL CA C 13 58.337 0.2 . 1 . . . . 144 VAL CA . 11522 1 123 . 1 1 33 33 VAL CB C 13 35.42 0.2 . 1 . . . . 144 VAL CB . 11522 1 124 . 1 1 33 33 VAL N N 15 119.231 0.1 . 1 . . . . 144 VAL N . 11522 1 125 . 1 1 34 34 LEU H H 1 8.037 0.01 . 1 . . . . 145 LEU H . 11522 1 126 . 1 1 34 34 LEU C C 13 175.048 0.2 . 1 . . . . 145 LEU C . 11522 1 127 . 1 1 34 34 LEU CA C 13 52.885 0.2 . 1 . . . . 145 LEU CA . 11522 1 128 . 1 1 34 34 LEU CB C 13 40.504 0.2 . 1 . . . . 145 LEU CB . 11522 1 129 . 1 1 34 34 LEU N N 15 124.262 0.1 . 1 . . . . 145 LEU N . 11522 1 130 . 1 1 35 35 CYS H H 1 8.706 0.01 . 1 . . . . 146 CYS H . 11522 1 131 . 1 1 35 35 CYS C C 13 175.657 0.2 . 1 . . . . 146 CYS C . 11522 1 132 . 1 1 35 35 CYS CA C 13 50.432 0.2 . 1 . . . . 146 CYS CA . 11522 1 133 . 1 1 35 35 CYS CB C 13 36.964 0.2 . 1 . . . . 146 CYS CB . 11522 1 134 . 1 1 35 35 CYS N N 15 123.043 0.1 . 1 . . . . 146 CYS N . 11522 1 135 . 1 1 36 36 ASP H H 1 9.14 0.01 . 1 . . . . 147 ASP H . 11522 1 136 . 1 1 36 36 ASP C C 13 176.948 0.2 . 1 . . . . 147 ASP C . 11522 1 137 . 1 1 36 36 ASP CA C 13 52.184 0.2 . 1 . . . . 147 ASP CA . 11522 1 138 . 1 1 36 36 ASP CB C 13 40.486 0.2 . 1 . . . . 147 ASP CB . 11522 1 139 . 1 1 36 36 ASP N N 15 123.393 0.1 . 1 . . . . 147 ASP N . 11522 1 140 . 1 1 37 37 MET H H 1 9.135 0.01 . 1 . . . . 148 MET H . 11522 1 141 . 1 1 37 37 MET C C 13 174.258 0.2 . 1 . . . . 148 MET C . 11522 1 142 . 1 1 37 37 MET CA C 13 54.025 0.2 . 1 . . . . 148 MET CA . 11522 1 143 . 1 1 37 37 MET CB C 13 31.358 0.2 . 1 . . . . 148 MET CB . 11522 1 144 . 1 1 37 37 MET N N 15 121.738 0.1 . 1 . . . . 148 MET N . 11522 1 145 . 1 1 38 38 ASP H H 1 8.524 0.01 . 1 . . . . 149 ASP H . 11522 1 146 . 1 1 38 38 ASP C C 13 176.346 0.2 . 1 . . . . 149 ASP C . 11522 1 147 . 1 1 38 38 ASP CA C 13 55.633 0.2 . 1 . . . . 149 ASP CA . 11522 1 148 . 1 1 38 38 ASP CB C 13 44.291 0.2 . 1 . . . . 149 ASP CB . 11522 1 149 . 1 1 38 38 ASP N N 15 120.086 0.1 . 1 . . . . 149 ASP N . 11522 1 150 . 1 1 39 39 THR H H 1 8.629 0.01 . 1 . . . . 150 THR H . 11522 1 151 . 1 1 39 39 THR C C 13 176.657 0.2 . 1 . . . . 150 THR C . 11522 1 152 . 1 1 39 39 THR CA C 13 63.492 0.2 . 1 . . . . 150 THR CA . 11522 1 153 . 1 1 39 39 THR CB C 13 67.385 0.2 . 1 . . . . 150 THR CB . 11522 1 154 . 1 1 39 39 THR N N 15 121.038 0.1 . 1 . . . . 150 THR N . 11522 1 155 . 1 1 40 40 ASP C C 13 175.455 0.2 . 1 . . . . 151 ASP C . 11522 1 156 . 1 1 40 40 ASP CA C 13 54.171 0.2 . 1 . . . . 151 ASP CA . 11522 1 157 . 1 1 40 40 ASP CB C 13 40.797 0.2 . 1 . . . . 151 ASP CB . 11522 1 158 . 1 1 41 41 GLY H H 1 8.52 0.01 . 1 . . . . 152 GLY H . 11522 1 159 . 1 1 41 41 GLY C C 13 174.98 0.2 . 1 . . . . 152 GLY C . 11522 1 160 . 1 1 41 41 GLY CA C 13 45.135 0.2 . 1 . . . . 152 GLY CA . 11522 1 161 . 1 1 41 41 GLY N N 15 107.916 0.1 . 1 . . . . 152 GLY N . 11522 1 162 . 1 1 42 42 GLY H H 1 7.986 0.01 . 1 . . . . 153 GLY H . 11522 1 163 . 1 1 42 42 GLY C C 13 172.124 0.2 . 1 . . . . 153 GLY C . 11522 1 164 . 1 1 42 42 GLY CA C 13 44.241 0.2 . 1 . . . . 153 GLY CA . 11522 1 165 . 1 1 42 42 GLY N N 15 105.034 0.1 . 1 . . . . 153 GLY N . 11522 1 166 . 1 1 43 43 GLY H H 1 7.002 0.01 . 1 . . . . 154 GLY H . 11522 1 167 . 1 1 43 43 GLY C C 13 172.107 0.2 . 1 . . . . 154 GLY C . 11522 1 168 . 1 1 43 43 GLY CA C 13 45.106 0.2 . 1 . . . . 154 GLY CA . 11522 1 169 . 1 1 43 43 GLY N N 15 104.927 0.1 . 1 . . . . 154 GLY N . 11522 1 170 . 1 1 44 44 TRP H H 1 7.739 0.01 . 1 . . . . 155 TRP H . 11522 1 171 . 1 1 44 44 TRP C C 13 176.106 0.2 . 1 . . . . 155 TRP C . 11522 1 172 . 1 1 44 44 TRP CA C 13 55.289 0.2 . 1 . . . . 155 TRP CA . 11522 1 173 . 1 1 44 44 TRP CB C 13 31.19 0.2 . 1 . . . . 155 TRP CB . 11522 1 174 . 1 1 44 44 TRP N N 15 120.007 0.1 . 1 . . . . 155 TRP N . 11522 1 175 . 1 1 45 45 THR H H 1 9.948 0.01 . 1 . . . . 156 THR H . 11522 1 176 . 1 1 45 45 THR C C 13 174.526 0.2 . 1 . . . . 156 THR C . 11522 1 177 . 1 1 45 45 THR CA C 13 62.683 0.2 . 1 . . . . 156 THR CA . 11522 1 178 . 1 1 45 45 THR CB C 13 69.038 0.2 . 1 . . . . 156 THR CB . 11522 1 179 . 1 1 45 45 THR N N 15 123.405 0.1 . 1 . . . . 156 THR N . 11522 1 180 . 1 1 46 46 VAL H H 1 9.455 0.01 . 1 . . . . 157 VAL H . 11522 1 181 . 1 1 46 46 VAL C C 13 174.685 0.2 . 1 . . . . 157 VAL C . 11522 1 182 . 1 1 46 46 VAL CA C 13 62.388 0.2 . 1 . . . . 157 VAL CA . 11522 1 183 . 1 1 46 46 VAL CB C 13 31.211 0.2 . 1 . . . . 157 VAL CB . 11522 1 184 . 1 1 46 46 VAL N N 15 131.138 0.1 . 1 . . . . 157 VAL N . 11522 1 185 . 1 1 47 47 PHE H H 1 8.835 0.01 . 1 . . . . 158 PHE H . 11522 1 186 . 1 1 47 47 PHE C C 13 172.244 0.2 . 1 . . . . 158 PHE C . 11522 1 187 . 1 1 47 47 PHE CA C 13 55.193 0.2 . 1 . . . . 158 PHE CA . 11522 1 188 . 1 1 47 47 PHE CB C 13 41.068 0.2 . 1 . . . . 158 PHE CB . 11522 1 189 . 1 1 47 47 PHE N N 15 121.566 0.1 . 1 . . . . 158 PHE N . 11522 1 190 . 1 1 48 48 GLN H H 1 7.272 0.01 . 1 . . . . 159 GLN H . 11522 1 191 . 1 1 48 48 GLN C C 13 172.965 0.2 . 1 . . . . 159 GLN C . 11522 1 192 . 1 1 48 48 GLN CA C 13 56.403 0.2 . 1 . . . . 159 GLN CA . 11522 1 193 . 1 1 48 48 GLN CB C 13 29.669 0.2 . 1 . . . . 159 GLN CB . 11522 1 194 . 1 1 48 48 GLN N N 15 126.197 0.1 . 1 . . . . 159 GLN N . 11522 1 195 . 1 1 49 49 ARG H H 1 7.739 0.01 . 1 . . . . 160 ARG H . 11522 1 196 . 1 1 49 49 ARG C C 13 174.257 0.2 . 1 . . . . 160 ARG C . 11522 1 197 . 1 1 49 49 ARG CA C 13 55.85 0.2 . 1 . . . . 160 ARG CA . 11522 1 198 . 1 1 49 49 ARG CB C 13 34.708 0.2 . 1 . . . . 160 ARG CB . 11522 1 199 . 1 1 49 49 ARG N N 15 124.033 0.1 . 1 . . . . 160 ARG N . 11522 1 200 . 1 1 50 50 ARG H H 1 9.299 0.01 . 1 . . . . 161 ARG H . 11522 1 201 . 1 1 50 50 ARG C C 13 175.228 0.2 . 1 . . . . 161 ARG C . 11522 1 202 . 1 1 50 50 ARG CA C 13 52.027 0.2 . 1 . . . . 161 ARG CA . 11522 1 203 . 1 1 50 50 ARG CB C 13 29.553 0.2 . 1 . . . . 161 ARG CB . 11522 1 204 . 1 1 50 50 ARG N N 15 123.456 0.1 . 1 . . . . 161 ARG N . 11522 1 205 . 1 1 51 51 MET H H 1 11.512 0.01 . 1 . . . . 162 MET H . 11522 1 206 . 1 1 51 51 MET C C 13 173.489 0.2 . 1 . . . . 162 MET C . 11522 1 207 . 1 1 51 51 MET CA C 13 57.825 0.2 . 1 . . . . 162 MET CA . 11522 1 208 . 1 1 51 51 MET CB C 13 34.35 0.2 . 1 . . . . 162 MET CB . 11522 1 209 . 1 1 51 51 MET N N 15 117.596 0.1 . 1 . . . . 162 MET N . 11522 1 210 . 1 1 52 52 ASP C C 13 176.557 0.2 . 1 . . . . 163 ASP C . 11522 1 211 . 1 1 52 52 ASP CA C 13 54.537 0.2 . 1 . . . . 163 ASP CA . 11522 1 212 . 1 1 52 52 ASP CB C 13 40.672 0.2 . 1 . . . . 163 ASP CB . 11522 1 213 . 1 1 53 53 GLY H H 1 8.803 0.01 . 1 . . . . 164 GLY H . 11522 1 214 . 1 1 53 53 GLY C C 13 175.559 0.2 . 1 . . . . 164 GLY C . 11522 1 215 . 1 1 53 53 GLY CA C 13 46.991 0.2 . 1 . . . . 164 GLY CA . 11522 1 216 . 1 1 53 53 GLY N N 15 113.876 0.1 . 1 . . . . 164 GLY N . 11522 1 217 . 1 1 54 54 SER H H 1 8.168 0.01 . 1 . . . . 165 SER H . 11522 1 218 . 1 1 54 54 SER C C 13 175.614 0.2 . 1 . . . . 165 SER C . 11522 1 219 . 1 1 54 54 SER CA C 13 60.431 0.2 . 1 . . . . 165 SER CA . 11522 1 220 . 1 1 54 54 SER CB C 13 62.794 0.2 . 1 . . . . 165 SER CB . 11522 1 221 . 1 1 54 54 SER N N 15 117.684 0.1 . 1 . . . . 165 SER N . 11522 1 222 . 1 1 55 55 VAL H H 1 8.375 0.01 . 1 . . . . 166 VAL H . 11522 1 223 . 1 1 55 55 VAL C C 13 175.191 0.2 . 1 . . . . 166 VAL C . 11522 1 224 . 1 1 55 55 VAL CA C 13 61.515 0.2 . 1 . . . . 166 VAL CA . 11522 1 225 . 1 1 55 55 VAL CB C 13 33.19 0.2 . 1 . . . . 166 VAL CB . 11522 1 226 . 1 1 55 55 VAL N N 15 125.18 0.1 . 1 . . . . 166 VAL N . 11522 1 227 . 1 1 56 56 ASP H H 1 8.725 0.01 . 1 . . . . 167 ASP H . 11522 1 228 . 1 1 56 56 ASP C C 13 176.12 0.2 . 1 . . . . 167 ASP C . 11522 1 229 . 1 1 56 56 ASP CA C 13 54.143 0.2 . 1 . . . . 167 ASP CA . 11522 1 230 . 1 1 56 56 ASP CB C 13 40.489 0.2 . 1 . . . . 167 ASP CB . 11522 1 231 . 1 1 56 56 ASP N N 15 128.389 0.1 . 1 . . . . 167 ASP N . 11522 1 232 . 1 1 57 57 PHE H H 1 9.235 0.01 . 1 . . . . 168 PHE H . 11522 1 233 . 1 1 57 57 PHE C C 13 177.956 0.2 . 1 . . . . 168 PHE C . 11522 1 234 . 1 1 57 57 PHE CA C 13 58.182 0.2 . 1 . . . . 168 PHE CA . 11522 1 235 . 1 1 57 57 PHE CB C 13 39.493 0.2 . 1 . . . . 168 PHE CB . 11522 1 236 . 1 1 57 57 PHE N N 15 129.308 0.1 . 1 . . . . 168 PHE N . 11522 1 237 . 1 1 58 58 TYR H H 1 9.175 0.01 . 1 . . . . 169 TYR H . 11522 1 238 . 1 1 58 58 TYR C C 13 175.737 0.2 . 1 . . . . 169 TYR C . 11522 1 239 . 1 1 58 58 TYR CA C 13 55.877 0.2 . 1 . . . . 169 TYR CA . 11522 1 240 . 1 1 58 58 TYR CB C 13 34.127 0.2 . 1 . . . . 169 TYR CB . 11522 1 241 . 1 1 58 58 TYR N N 15 132.36 0.1 . 1 . . . . 169 TYR N . 11522 1 242 . 1 1 59 59 ARG H H 1 7.449 0.01 . 1 . . . . 170 ARG H . 11522 1 243 . 1 1 59 59 ARG C C 13 173.754 0.2 . 1 . . . . 170 ARG C . 11522 1 244 . 1 1 59 59 ARG CA C 13 53.001 0.2 . 1 . . . . 170 ARG CA . 11522 1 245 . 1 1 59 59 ARG CB C 13 32.007 0.2 . 1 . . . . 170 ARG CB . 11522 1 246 . 1 1 59 59 ARG N N 15 121.085 0.1 . 1 . . . . 170 ARG N . 11522 1 247 . 1 1 60 60 ASP H H 1 7.605 0.01 . 1 . . . . 171 ASP H . 11522 1 248 . 1 1 60 60 ASP C C 13 175.32 0.2 . 1 . . . . 171 ASP C . 11522 1 249 . 1 1 60 60 ASP CA C 13 52.3 0.2 . 1 . . . . 171 ASP CA . 11522 1 250 . 1 1 60 60 ASP CB C 13 42.259 0.2 . 1 . . . . 171 ASP CB . 11522 1 251 . 1 1 60 60 ASP N N 15 117.673 0.1 . 1 . . . . 171 ASP N . 11522 1 252 . 1 1 61 61 TRP H H 1 9.759 0.01 . 1 . . . . 172 TRP H . 11522 1 253 . 1 1 61 61 TRP C C 13 178.767 0.2 . 1 . . . . 172 TRP C . 11522 1 254 . 1 1 61 61 TRP CA C 13 61.46 0.2 . 1 . . . . 172 TRP CA . 11522 1 255 . 1 1 61 61 TRP CB C 13 29.189 0.2 . 1 . . . . 172 TRP CB . 11522 1 256 . 1 1 61 61 TRP N N 15 122.584 0.1 . 1 . . . . 172 TRP N . 11522 1 257 . 1 1 62 62 ALA H H 1 8.814 0.01 . 1 . . . . 173 ALA H . 11522 1 258 . 1 1 62 62 ALA C C 13 180.165 0.2 . 1 . . . . 173 ALA C . 11522 1 259 . 1 1 62 62 ALA CA C 13 55.086 0.2 . 1 . . . . 173 ALA CA . 11522 1 260 . 1 1 62 62 ALA CB C 13 17.678 0.2 . 1 . . . . 173 ALA CB . 11522 1 261 . 1 1 62 62 ALA N N 15 121.507 0.1 . 1 . . . . 173 ALA N . 11522 1 262 . 1 1 63 63 ALA H H 1 8.056 0.01 . 1 . . . . 174 ALA H . 11522 1 263 . 1 1 63 63 ALA C C 13 180.718 0.2 . 1 . . . . 174 ALA C . 11522 1 264 . 1 1 63 63 ALA CA C 13 54.8 0.2 . 1 . . . . 174 ALA CA . 11522 1 265 . 1 1 63 63 ALA CB C 13 18.242 0.2 . 1 . . . . 174 ALA CB . 11522 1 266 . 1 1 63 63 ALA N N 15 122.564 0.1 . 1 . . . . 174 ALA N . 11522 1 267 . 1 1 64 64 TYR H H 1 8.182 0.01 . 1 . . . . 175 TYR H . 11522 1 268 . 1 1 64 64 TYR C C 13 178.283 0.2 . 1 . . . . 175 TYR C . 11522 1 269 . 1 1 64 64 TYR CA C 13 63.459 0.2 . 1 . . . . 175 TYR CA . 11522 1 270 . 1 1 64 64 TYR CB C 13 37.744 0.2 . 1 . . . . 175 TYR CB . 11522 1 271 . 1 1 64 64 TYR N N 15 116.58 0.1 . 1 . . . . 175 TYR N . 11522 1 272 . 1 1 65 65 LYS H H 1 8.541 0.01 . 1 . . . . 176 LYS H . 11522 1 273 . 1 1 65 65 LYS C C 13 176.626 0.2 . 1 . . . . 176 LYS C . 11522 1 274 . 1 1 65 65 LYS CA C 13 60.022 0.2 . 1 . . . . 176 LYS CA . 11522 1 275 . 1 1 65 65 LYS CB C 13 32.172 0.2 . 1 . . . . 176 LYS CB . 11522 1 276 . 1 1 65 65 LYS N N 15 123.84 0.1 . 1 . . . . 176 LYS N . 11522 1 277 . 1 1 66 66 GLN H H 1 7.633 0.01 . 1 . . . . 177 GLN H . 11522 1 278 . 1 1 66 66 GLN C C 13 177.396 0.2 . 1 . . . . 177 GLN C . 11522 1 279 . 1 1 66 66 GLN CA C 13 57.245 0.2 . 1 . . . . 177 GLN CA . 11522 1 280 . 1 1 66 66 GLN CB C 13 30.01 0.2 . 1 . . . . 177 GLN CB . 11522 1 281 . 1 1 66 66 GLN N N 15 116.436 0.1 . 1 . . . . 177 GLN N . 11522 1 282 . 1 1 67 67 GLY H H 1 8.458 0.01 . 1 . . . . 178 GLY H . 11522 1 283 . 1 1 67 67 GLY C C 13 171.584 0.2 . 1 . . . . 178 GLY C . 11522 1 284 . 1 1 67 67 GLY CA C 13 43.785 0.2 . 1 . . . . 178 GLY CA . 11522 1 285 . 1 1 67 67 GLY N N 15 109.005 0.1 . 1 . . . . 178 GLY N . 11522 1 286 . 1 1 68 68 PHE H H 1 8.163 0.01 . 1 . . . . 179 PHE H . 11522 1 287 . 1 1 68 68 PHE C C 13 173.663 0.2 . 1 . . . . 179 PHE C . 11522 1 288 . 1 1 68 68 PHE CA C 13 56.543 0.2 . 1 . . . . 179 PHE CA . 11522 1 289 . 1 1 68 68 PHE CB C 13 39.509 0.2 . 1 . . . . 179 PHE CB . 11522 1 290 . 1 1 68 68 PHE N N 15 114.881 0.1 . 1 . . . . 179 PHE N . 11522 1 291 . 1 1 69 69 GLY H H 1 8.646 0.01 . 1 . . . . 180 GLY H . 11522 1 292 . 1 1 69 69 GLY C C 13 173.261 0.2 . 1 . . . . 180 GLY C . 11522 1 293 . 1 1 69 69 GLY CA C 13 43.878 0.2 . 1 . . . . 180 GLY CA . 11522 1 294 . 1 1 69 69 GLY N N 15 107.191 0.1 . 1 . . . . 180 GLY N . 11522 1 295 . 1 1 70 70 SER H H 1 8.51 0.01 . 1 . . . . 181 SER H . 11522 1 296 . 1 1 70 70 SER C C 13 174.795 0.2 . 1 . . . . 181 SER C . 11522 1 297 . 1 1 70 70 SER CA C 13 56.508 0.2 . 1 . . . . 181 SER CA . 11522 1 298 . 1 1 70 70 SER CB C 13 65.12 0.2 . 1 . . . . 181 SER CB . 11522 1 299 . 1 1 70 70 SER N N 15 114.414 0.1 . 1 . . . . 181 SER N . 11522 1 300 . 1 1 71 71 GLN C C 13 176.53 0.2 . 1 . . . . 182 GLN C . 11522 1 301 . 1 1 71 71 GLN CA C 13 56.915 0.2 . 1 . . . . 182 GLN CA . 11522 1 302 . 1 1 71 71 GLN CB C 13 26.516 0.2 . 1 . . . . 182 GLN CB . 11522 1 303 . 1 1 72 72 LEU H H 1 7.735 0.01 . 1 . . . . 183 LEU H . 11522 1 304 . 1 1 72 72 LEU C C 13 178.164 0.2 . 1 . . . . 183 LEU C . 11522 1 305 . 1 1 72 72 LEU CA C 13 54.818 0.2 . 1 . . . . 183 LEU CA . 11522 1 306 . 1 1 72 72 LEU CB C 13 40.731 0.2 . 1 . . . . 183 LEU CB . 11522 1 307 . 1 1 72 72 LEU N N 15 116.997 0.1 . 1 . . . . 183 LEU N . 11522 1 308 . 1 1 73 73 GLY H H 1 7.592 0.01 . 1 . . . . 184 GLY H . 11522 1 309 . 1 1 73 73 GLY C C 13 173.523 0.2 . 1 . . . . 184 GLY C . 11522 1 310 . 1 1 73 73 GLY CA C 13 46.298 0.2 . 1 . . . . 184 GLY CA . 11522 1 311 . 1 1 73 73 GLY N N 15 107.177 0.1 . 1 . . . . 184 GLY N . 11522 1 312 . 1 1 74 74 GLU C C 13 175.921 0.2 . 1 . . . . 185 GLU C . 11522 1 313 . 1 1 74 74 GLU CA C 13 56.05 0.2 . 1 . . . . 185 GLU CA . 11522 1 314 . 1 1 74 74 GLU CB C 13 31.991 0.2 . 1 . . . . 185 GLU CB . 11522 1 315 . 1 1 75 75 PHE H H 1 8.24 0.01 . 1 . . . . 186 PHE H . 11522 1 316 . 1 1 75 75 PHE C C 13 172.342 0.2 . 1 . . . . 186 PHE C . 11522 1 317 . 1 1 75 75 PHE CA C 13 57.451 0.2 . 1 . . . . 186 PHE CA . 11522 1 318 . 1 1 75 75 PHE CB C 13 40.151 0.2 . 1 . . . . 186 PHE CB . 11522 1 319 . 1 1 75 75 PHE N N 15 112.454 0.1 . 1 . . . . 186 PHE N . 11522 1 320 . 1 1 76 76 TRP H H 1 7.928 0.01 . 1 . . . . 187 TRP H . 11522 1 321 . 1 1 76 76 TRP C C 13 177.269 0.2 . 1 . . . . 187 TRP C . 11522 1 322 . 1 1 76 76 TRP CA C 13 55.436 0.2 . 1 . . . . 187 TRP CA . 11522 1 323 . 1 1 76 76 TRP CB C 13 32.197 0.2 . 1 . . . . 187 TRP CB . 11522 1 324 . 1 1 76 76 TRP N N 15 118.638 0.1 . 1 . . . . 187 TRP N . 11522 1 325 . 1 1 77 77 LEU H H 1 8.809 0.01 . 1 . . . . 188 LEU H . 11522 1 326 . 1 1 77 77 LEU C C 13 175.515 0.2 . 1 . . . . 188 LEU C . 11522 1 327 . 1 1 77 77 LEU CA C 13 56.979 0.2 . 1 . . . . 188 LEU CA . 11522 1 328 . 1 1 77 77 LEU CB C 13 43.57 0.2 . 1 . . . . 188 LEU CB . 11522 1 329 . 1 1 77 77 LEU N N 15 126.808 0.1 . 1 . . . . 188 LEU N . 11522 1 330 . 1 1 78 78 GLY H H 1 5.613 0.01 . 1 . . . . 189 GLY H . 11522 1 331 . 1 1 78 78 GLY C C 13 173.591 0.2 . 1 . . . . 189 GLY C . 11522 1 332 . 1 1 78 78 GLY CA C 13 42.505 0.2 . 1 . . . . 189 GLY CA . 11522 1 333 . 1 1 78 78 GLY N N 15 103.466 0.1 . 1 . . . . 189 GLY N . 11522 1 334 . 1 1 79 79 ASN H H 1 9.479 0.01 . 1 . . . . 190 ASN H . 11522 1 335 . 1 1 79 79 ASN C C 13 176.927 0.2 . 1 . . . . 190 ASN C . 11522 1 336 . 1 1 79 79 ASN CA C 13 56.211 0.2 . 1 . . . . 190 ASN CA . 11522 1 337 . 1 1 79 79 ASN CB C 13 33.543 0.2 . 1 . . . . 190 ASN CB . 11522 1 338 . 1 1 79 79 ASN N N 15 127.613 0.1 . 1 . . . . 190 ASN N . 11522 1 339 . 1 1 80 80 ASP H H 1 7.532 0.01 . 1 . . . . 191 ASP H . 11522 1 340 . 1 1 80 80 ASP C C 13 179.444 0.2 . 1 . . . . 191 ASP C . 11522 1 341 . 1 1 80 80 ASP CA C 13 58.544 0.2 . 1 . . . . 191 ASP CA . 11522 1 342 . 1 1 80 80 ASP CB C 13 38.73 0.2 . 1 . . . . 191 ASP CB . 11522 1 343 . 1 1 80 80 ASP N N 15 119.713 0.1 . 1 . . . . 191 ASP N . 11522 1 344 . 1 1 81 81 ASN H H 1 8.343 0.01 . 1 . . . . 192 ASN H . 11522 1 345 . 1 1 81 81 ASN C C 13 176.632 0.2 . 1 . . . . 192 ASN C . 11522 1 346 . 1 1 81 81 ASN CA C 13 55.481 0.2 . 1 . . . . 192 ASN CA . 11522 1 347 . 1 1 81 81 ASN CB C 13 37.802 0.2 . 1 . . . . 192 ASN CB . 11522 1 348 . 1 1 81 81 ASN N N 15 121.908 0.1 . 1 . . . . 192 ASN N . 11522 1 349 . 1 1 82 82 ILE H H 1 8.766 0.01 . 1 . . . . 193 ILE H . 11522 1 350 . 1 1 82 82 ILE C C 13 179.285 0.2 . 1 . . . . 193 ILE C . 11522 1 351 . 1 1 82 82 ILE CA C 13 65.671 0.2 . 1 . . . . 193 ILE CA . 11522 1 352 . 1 1 82 82 ILE CB C 13 37.713 0.2 . 1 . . . . 193 ILE CB . 11522 1 353 . 1 1 82 82 ILE N N 15 121.404 0.1 . 1 . . . . 193 ILE N . 11522 1 354 . 1 1 83 83 HIS H H 1 8.608 0.01 . 1 . . . . 194 HIS H . 11522 1 355 . 1 1 83 83 HIS C C 13 176.174 0.2 . 1 . . . . 194 HIS C . 11522 1 356 . 1 1 83 83 HIS CA C 13 59.771 0.2 . 1 . . . . 194 HIS CA . 11522 1 357 . 1 1 83 83 HIS CB C 13 26.952 0.2 . 1 . . . . 194 HIS CB . 11522 1 358 . 1 1 83 83 HIS N N 15 121.329 0.1 . 1 . . . . 194 HIS N . 11522 1 359 . 1 1 84 84 ALA H H 1 7.938 0.01 . 1 . . . . 195 ALA H . 11522 1 360 . 1 1 84 84 ALA C C 13 180.612 0.2 . 1 . . . . 195 ALA C . 11522 1 361 . 1 1 84 84 ALA CA C 13 54.967 0.2 . 1 . . . . 195 ALA CA . 11522 1 362 . 1 1 84 84 ALA CB C 13 18.238 0.2 . 1 . . . . 195 ALA CB . 11522 1 363 . 1 1 84 84 ALA N N 15 120.921 0.1 . 1 . . . . 195 ALA N . 11522 1 364 . 1 1 85 85 LEU H H 1 8.115 0.01 . 1 . . . . 196 LEU H . 11522 1 365 . 1 1 85 85 LEU C C 13 178.962 0.2 . 1 . . . . 196 LEU C . 11522 1 366 . 1 1 85 85 LEU CA C 13 56.785 0.2 . 1 . . . . 196 LEU CA . 11522 1 367 . 1 1 85 85 LEU CB C 13 42.855 0.2 . 1 . . . . 196 LEU CB . 11522 1 368 . 1 1 85 85 LEU N N 15 115.681 0.1 . 1 . . . . 196 LEU N . 11522 1 369 . 1 1 86 86 THR H H 1 7.599 0.01 . 1 . . . . 197 THR H . 11522 1 370 . 1 1 86 86 THR C C 13 176.028 0.2 . 1 . . . . 197 THR C . 11522 1 371 . 1 1 86 86 THR CA C 13 61.535 0.2 . 1 . . . . 197 THR CA . 11522 1 372 . 1 1 86 86 THR CB C 13 70.417 0.2 . 1 . . . . 197 THR CB . 11522 1 373 . 1 1 86 86 THR N N 15 106.525 0.1 . 1 . . . . 197 THR N . 11522 1 374 . 1 1 87 87 ALA H H 1 7.587 0.01 . 1 . . . . 198 ALA H . 11522 1 375 . 1 1 87 87 ALA C C 13 177.96 0.2 . 1 . . . . 198 ALA C . 11522 1 376 . 1 1 87 87 ALA CA C 13 54.452 0.2 . 1 . . . . 198 ALA CA . 11522 1 377 . 1 1 87 87 ALA CB C 13 18.085 0.2 . 1 . . . . 198 ALA CB . 11522 1 378 . 1 1 87 87 ALA N N 15 125.349 0.1 . 1 . . . . 198 ALA N . 11522 1 379 . 1 1 88 88 GLN H H 1 7.794 0.01 . 1 . . . . 199 GLN H . 11522 1 380 . 1 1 88 88 GLN C C 13 176.647 0.2 . 1 . . . . 199 GLN C . 11522 1 381 . 1 1 88 88 GLN CA C 13 55.128 0.2 . 1 . . . . 199 GLN CA . 11522 1 382 . 1 1 88 88 GLN CB C 13 28.867 0.2 . 1 . . . . 199 GLN CB . 11522 1 383 . 1 1 88 88 GLN N N 15 115.648 0.1 . 1 . . . . 199 GLN N . 11522 1 384 . 1 1 89 89 GLY H H 1 8.263 0.01 . 1 . . . . 200 GLY H . 11522 1 385 . 1 1 89 89 GLY C C 13 173.548 0.2 . 1 . . . . 200 GLY C . 11522 1 386 . 1 1 89 89 GLY CA C 13 45.361 0.2 . 1 . . . . 200 GLY CA . 11522 1 387 . 1 1 89 89 GLY N N 15 110.454 0.1 . 1 . . . . 200 GLY N . 11522 1 388 . 1 1 90 90 SER H H 1 8.311 0.01 . 1 . . . . 201 SER H . 11522 1 389 . 1 1 90 90 SER C C 13 174.843 0.2 . 1 . . . . 201 SER C . 11522 1 390 . 1 1 90 90 SER CA C 13 57.712 0.2 . 1 . . . . 201 SER CA . 11522 1 391 . 1 1 90 90 SER CB C 13 63.922 0.2 . 1 . . . . 201 SER CB . 11522 1 392 . 1 1 90 90 SER N N 15 116.683 0.1 . 1 . . . . 201 SER N . 11522 1 393 . 1 1 91 91 SER H H 1 9.113 0.01 . 1 . . . . 202 SER H . 11522 1 394 . 1 1 91 91 SER C C 13 172.732 0.2 . 1 . . . . 202 SER C . 11522 1 395 . 1 1 91 91 SER CA C 13 58.774 0.2 . 1 . . . . 202 SER CA . 11522 1 396 . 1 1 91 91 SER CB C 13 64.831 0.2 . 1 . . . . 202 SER CB . 11522 1 397 . 1 1 91 91 SER N N 15 123.427 0.1 . 1 . . . . 202 SER N . 11522 1 398 . 1 1 92 92 GLU H H 1 9.109 0.01 . 1 . . . . 203 GLU H . 11522 1 399 . 1 1 92 92 GLU C C 13 175.095 0.2 . 1 . . . . 203 GLU C . 11522 1 400 . 1 1 92 92 GLU CA C 13 55.031 0.2 . 1 . . . . 203 GLU CA . 11522 1 401 . 1 1 92 92 GLU CB C 13 31.502 0.2 . 1 . . . . 203 GLU CB . 11522 1 402 . 1 1 92 92 GLU N N 15 122.291 0.1 . 1 . . . . 203 GLU N . 11522 1 403 . 1 1 93 93 LEU H H 1 7.774 0.01 . 1 . . . . 204 LEU H . 11522 1 404 . 1 1 93 93 LEU C C 13 174.441 0.2 . 1 . . . . 204 LEU C . 11522 1 405 . 1 1 93 93 LEU CA C 13 52.841 0.2 . 1 . . . . 204 LEU CA . 11522 1 406 . 1 1 93 93 LEU CB C 13 46.069 0.2 . 1 . . . . 204 LEU CB . 11522 1 407 . 1 1 93 93 LEU N N 15 120.367 0.1 . 1 . . . . 204 LEU N . 11522 1 408 . 1 1 94 94 ARG H H 1 9.076 0.01 . 1 . . . . 205 ARG H . 11522 1 409 . 1 1 94 94 ARG C C 13 172.934 0.2 . 1 . . . . 205 ARG C . 11522 1 410 . 1 1 94 94 ARG CA C 13 54.029 0.2 . 1 . . . . 205 ARG CA . 11522 1 411 . 1 1 94 94 ARG CB C 13 33.041 0.2 . 1 . . . . 205 ARG CB . 11522 1 412 . 1 1 94 94 ARG N N 15 126.551 0.1 . 1 . . . . 205 ARG N . 11522 1 413 . 1 1 95 95 VAL H H 1 8.96 0.01 . 1 . . . . 206 VAL H . 11522 1 414 . 1 1 95 95 VAL C C 13 174.349 0.2 . 1 . . . . 206 VAL C . 11522 1 415 . 1 1 95 95 VAL CA C 13 60.197 0.2 . 1 . . . . 206 VAL CA . 11522 1 416 . 1 1 95 95 VAL CB C 13 33.574 0.2 . 1 . . . . 206 VAL CB . 11522 1 417 . 1 1 95 95 VAL N N 15 126.405 0.1 . 1 . . . . 206 VAL N . 11522 1 418 . 1 1 96 96 ASP H H 1 8.802 0.01 . 1 . . . . 207 ASP H . 11522 1 419 . 1 1 96 96 ASP C C 13 173.624 0.2 . 1 . . . . 207 ASP C . 11522 1 420 . 1 1 96 96 ASP CA C 13 54.636 0.2 . 1 . . . . 207 ASP CA . 11522 1 421 . 1 1 96 96 ASP CB C 13 46.209 0.2 . 1 . . . . 207 ASP CB . 11522 1 422 . 1 1 96 96 ASP N N 15 126.841 0.1 . 1 . . . . 207 ASP N . 11522 1 423 . 1 1 97 97 LEU H H 1 8.44 0.01 . 1 . . . . 208 LEU H . 11522 1 424 . 1 1 97 97 LEU C C 13 176.506 0.2 . 1 . . . . 208 LEU C . 11522 1 425 . 1 1 97 97 LEU CA C 13 52.646 0.2 . 1 . . . . 208 LEU CA . 11522 1 426 . 1 1 97 97 LEU CB C 13 45.169 0.2 . 1 . . . . 208 LEU CB . 11522 1 427 . 1 1 97 97 LEU N N 15 120.986 0.1 . 1 . . . . 208 LEU N . 11522 1 428 . 1 1 98 98 VAL H H 1 8.429 0.01 . 1 . . . . 209 VAL H . 11522 1 429 . 1 1 98 98 VAL C C 13 177.24 0.2 . 1 . . . . 209 VAL C . 11522 1 430 . 1 1 98 98 VAL CA C 13 60.457 0.2 . 1 . . . . 209 VAL CA . 11522 1 431 . 1 1 98 98 VAL CB C 13 34.001 0.2 . 1 . . . . 209 VAL CB . 11522 1 432 . 1 1 98 98 VAL N N 15 120.235 0.1 . 1 . . . . 209 VAL N . 11522 1 433 . 1 1 99 99 ASP H H 1 8.614 0.01 . 1 . . . . 210 ASP H . 11522 1 434 . 1 1 99 99 ASP C C 13 175.984 0.2 . 1 . . . . 210 ASP C . 11522 1 435 . 1 1 99 99 ASP CA C 13 52.994 0.2 . 1 . . . . 210 ASP CA . 11522 1 436 . 1 1 99 99 ASP CB C 13 40.637 0.2 . 1 . . . . 210 ASP CB . 11522 1 437 . 1 1 99 99 ASP N N 15 128.251 0.1 . 1 . . . . 210 ASP N . 11522 1 438 . 1 1 100 100 PHE H H 1 8.424 0.01 . 1 . . . . 211 PHE H . 11522 1 439 . 1 1 100 100 PHE C C 13 175.952 0.2 . 1 . . . . 211 PHE C . 11522 1 440 . 1 1 100 100 PHE CA C 13 61.721 0.2 . 1 . . . . 211 PHE CA . 11522 1 441 . 1 1 100 100 PHE CB C 13 37.598 0.2 . 1 . . . . 211 PHE CB . 11522 1 442 . 1 1 100 100 PHE N N 15 113.796 0.1 . 1 . . . . 211 PHE N . 11522 1 443 . 1 1 101 101 GLU H H 1 8.263 0.01 . 1 . . . . 212 GLU H . 11522 1 444 . 1 1 101 101 GLU C C 13 176.094 0.2 . 1 . . . . 212 GLU C . 11522 1 445 . 1 1 101 101 GLU CA C 13 56.45 0.2 . 1 . . . . 212 GLU CA . 11522 1 446 . 1 1 101 101 GLU CB C 13 29.576 0.2 . 1 . . . . 212 GLU CB . 11522 1 447 . 1 1 101 101 GLU N N 15 120.754 0.1 . 1 . . . . 212 GLU N . 11522 1 448 . 1 1 102 102 GLY H H 1 7.582 0.01 . 1 . . . . 213 GLY H . 11522 1 449 . 1 1 102 102 GLY C C 13 174.624 0.2 . 1 . . . . 213 GLY C . 11522 1 450 . 1 1 102 102 GLY CA C 13 44.955 0.2 . 1 . . . . 213 GLY CA . 11522 1 451 . 1 1 102 102 GLY N N 15 107.802 0.1 . 1 . . . . 213 GLY N . 11522 1 452 . 1 1 103 103 ASN H H 1 9.015 0.01 . 1 . . . . 214 ASN H . 11522 1 453 . 1 1 103 103 ASN C C 13 174.106 0.2 . 1 . . . . 214 ASN C . 11522 1 454 . 1 1 103 103 ASN CA C 13 53.507 0.2 . 1 . . . . 214 ASN CA . 11522 1 455 . 1 1 103 103 ASN CB C 13 38.138 0.2 . 1 . . . . 214 ASN CB . 11522 1 456 . 1 1 103 103 ASN N N 15 121.445 0.1 . 1 . . . . 214 ASN N . 11522 1 457 . 1 1 104 104 HIS H H 1 9.04 0.01 . 1 . . . . 215 HIS H . 11522 1 458 . 1 1 104 104 HIS C C 13 175.261 0.2 . 1 . . . . 215 HIS C . 11522 1 459 . 1 1 104 104 HIS CA C 13 54.062 0.2 . 1 . . . . 215 HIS CA . 11522 1 460 . 1 1 104 104 HIS CB C 13 31.066 0.2 . 1 . . . . 215 HIS CB . 11522 1 461 . 1 1 104 104 HIS N N 15 125.466 0.1 . 1 . . . . 215 HIS N . 11522 1 462 . 1 1 105 105 GLN H H 1 9.199 0.01 . 1 . . . . 216 GLN H . 11522 1 463 . 1 1 105 105 GLN C C 13 173.04 0.2 . 1 . . . . 216 GLN C . 11522 1 464 . 1 1 105 105 GLN CA C 13 54.127 0.2 . 1 . . . . 216 GLN CA . 11522 1 465 . 1 1 105 105 GLN CB C 13 33.392 0.2 . 1 . . . . 216 GLN CB . 11522 1 466 . 1 1 105 105 GLN N N 15 125.197 0.1 . 1 . . . . 216 GLN N . 11522 1 467 . 1 1 106 106 PHE H H 1 7.198 0.01 . 1 . . . . 217 PHE H . 11522 1 468 . 1 1 106 106 PHE C C 13 172.917 0.2 . 1 . . . . 217 PHE C . 11522 1 469 . 1 1 106 106 PHE CA C 13 54.946 0.2 . 1 . . . . 217 PHE CA . 11522 1 470 . 1 1 106 106 PHE CB C 13 43.719 0.2 . 1 . . . . 217 PHE CB . 11522 1 471 . 1 1 106 106 PHE N N 15 115.745 0.1 . 1 . . . . 217 PHE N . 11522 1 472 . 1 1 107 107 ALA H H 1 8.828 0.01 . 1 . . . . 218 ALA H . 11522 1 473 . 1 1 107 107 ALA C C 13 175.473 0.2 . 1 . . . . 218 ALA C . 11522 1 474 . 1 1 107 107 ALA CA C 13 51.406 0.2 . 1 . . . . 218 ALA CA . 11522 1 475 . 1 1 107 107 ALA CB C 13 24.443 0.2 . 1 . . . . 218 ALA CB . 11522 1 476 . 1 1 107 107 ALA N N 15 123.312 0.1 . 1 . . . . 218 ALA N . 11522 1 477 . 1 1 108 108 LYS H H 1 8.107 0.01 . 1 . . . . 219 LYS H . 11522 1 478 . 1 1 108 108 LYS C C 13 174.108 0.2 . 1 . . . . 219 LYS C . 11522 1 479 . 1 1 108 108 LYS CA C 13 55.15 0.2 . 1 . . . . 219 LYS CA . 11522 1 480 . 1 1 108 108 LYS CB C 13 35.657 0.2 . 1 . . . . 219 LYS CB . 11522 1 481 . 1 1 108 108 LYS N N 15 120.994 0.1 . 1 . . . . 219 LYS N . 11522 1 482 . 1 1 109 109 TYR H H 1 9.227 0.01 . 1 . . . . 220 TYR H . 11522 1 483 . 1 1 109 109 TYR C C 13 176.95 0.2 . 1 . . . . 220 TYR C . 11522 1 484 . 1 1 109 109 TYR CA C 13 56.825 0.2 . 1 . . . . 220 TYR CA . 11522 1 485 . 1 1 109 109 TYR CB C 13 42.004 0.2 . 1 . . . . 220 TYR CB . 11522 1 486 . 1 1 109 109 TYR N N 15 120.997 0.1 . 1 . . . . 220 TYR N . 11522 1 487 . 1 1 110 110 LYS H H 1 9.481 0.01 . 1 . . . . 221 LYS H . 11522 1 488 . 1 1 110 110 LYS C C 13 175.442 0.2 . 1 . . . . 221 LYS C . 11522 1 489 . 1 1 110 110 LYS CA C 13 58.154 0.2 . 1 . . . . 221 LYS CA . 11522 1 490 . 1 1 110 110 LYS CB C 13 33.883 0.2 . 1 . . . . 221 LYS CB . 11522 1 491 . 1 1 110 110 LYS N N 15 122.343 0.1 . 1 . . . . 221 LYS N . 11522 1 492 . 1 1 111 111 SER H H 1 7.056 0.01 . 1 . . . . 222 SER H . 11522 1 493 . 1 1 111 111 SER C C 13 174.276 0.2 . 1 . . . . 222 SER C . 11522 1 494 . 1 1 111 111 SER CA C 13 56.698 0.2 . 1 . . . . 222 SER CA . 11522 1 495 . 1 1 111 111 SER CB C 13 65.021 0.2 . 1 . . . . 222 SER CB . 11522 1 496 . 1 1 111 111 SER N N 15 104.519 0.1 . 1 . . . . 222 SER N . 11522 1 497 . 1 1 112 112 PHE H H 1 8.456 0.01 . 1 . . . . 223 PHE H . 11522 1 498 . 1 1 112 112 PHE C C 13 172.252 0.2 . 1 . . . . 223 PHE C . 11522 1 499 . 1 1 112 112 PHE CA C 13 57.836 0.2 . 1 . . . . 223 PHE CA . 11522 1 500 . 1 1 112 112 PHE CB C 13 42.725 0.2 . 1 . . . . 223 PHE CB . 11522 1 501 . 1 1 112 112 PHE N N 15 125.344 0.1 . 1 . . . . 223 PHE N . 11522 1 502 . 1 1 113 113 LYS H H 1 8.128 0.01 . 1 . . . . 224 LYS H . 11522 1 503 . 1 1 113 113 LYS C C 13 172.365 0.2 . 1 . . . . 224 LYS C . 11522 1 504 . 1 1 113 113 LYS CA C 13 54.83 0.2 . 1 . . . . 224 LYS CA . 11522 1 505 . 1 1 113 113 LYS CB C 13 35.273 0.2 . 1 . . . . 224 LYS CB . 11522 1 506 . 1 1 113 113 LYS N N 15 128.466 0.1 . 1 . . . . 224 LYS N . 11522 1 507 . 1 1 114 114 VAL H H 1 6.723 0.01 . 1 . . . . 225 VAL H . 11522 1 508 . 1 1 114 114 VAL C C 13 176.445 0.2 . 1 . . . . 225 VAL C . 11522 1 509 . 1 1 114 114 VAL CA C 13 59.132 0.2 . 1 . . . . 225 VAL CA . 11522 1 510 . 1 1 114 114 VAL CB C 13 34.001 0.2 . 1 . . . . 225 VAL CB . 11522 1 511 . 1 1 114 114 VAL N N 15 118.5 0.1 . 1 . . . . 225 VAL N . 11522 1 512 . 1 1 115 115 ALA H H 1 8.926 0.01 . 1 . . . . 226 ALA H . 11522 1 513 . 1 1 115 115 ALA C C 13 173.061 0.2 . 1 . . . . 226 ALA C . 11522 1 514 . 1 1 115 115 ALA CA C 13 51.725 0.2 . 1 . . . . 226 ALA CA . 11522 1 515 . 1 1 115 115 ALA CB C 13 20.491 0.2 . 1 . . . . 226 ALA CB . 11522 1 516 . 1 1 115 115 ALA N N 15 130.153 0.1 . 1 . . . . 226 ALA N . 11522 1 517 . 1 1 116 116 ASP H H 1 7.361 0.01 . 1 . . . . 227 ASP H . 11522 1 518 . 1 1 116 116 ASP C C 13 177 0.2 . 1 . . . . 227 ASP C . 11522 1 519 . 1 1 116 116 ASP CA C 13 51.99 0.2 . 1 . . . . 227 ASP CA . 11522 1 520 . 1 1 116 116 ASP CB C 13 40.552 0.2 . 1 . . . . 227 ASP CB . 11522 1 521 . 1 1 116 116 ASP N N 15 113.815 0.1 . 1 . . . . 227 ASP N . 11522 1 522 . 1 1 117 117 GLU H H 1 8.183 0.01 . 1 . . . . 228 GLU H . 11522 1 523 . 1 1 117 117 GLU C C 13 180.21 0.2 . 1 . . . . 228 GLU C . 11522 1 524 . 1 1 117 117 GLU CA C 13 59.343 0.2 . 1 . . . . 228 GLU CA . 11522 1 525 . 1 1 117 117 GLU CB C 13 28.47 0.2 . 1 . . . . 228 GLU CB . 11522 1 526 . 1 1 117 117 GLU N N 15 121.261 0.1 . 1 . . . . 228 GLU N . 11522 1 527 . 1 1 118 118 ALA H H 1 7.975 0.01 . 1 . . . . 229 ALA H . 11522 1 528 . 1 1 118 118 ALA C C 13 179.381 0.2 . 1 . . . . 229 ALA C . 11522 1 529 . 1 1 118 118 ALA CA C 13 54.656 0.2 . 1 . . . . 229 ALA CA . 11522 1 530 . 1 1 118 118 ALA CB C 13 17.1 0.2 . 1 . . . . 229 ALA CB . 11522 1 531 . 1 1 118 118 ALA N N 15 124.286 0.1 . 1 . . . . 229 ALA N . 11522 1 532 . 1 1 119 119 GLU H H 1 7.136 0.01 . 1 . . . . 230 GLU H . 11522 1 533 . 1 1 119 119 GLU C C 13 173.607 0.2 . 1 . . . . 230 GLU C . 11522 1 534 . 1 1 119 119 GLU CA C 13 54.905 0.2 . 1 . . . . 230 GLU CA . 11522 1 535 . 1 1 119 119 GLU CB C 13 29.696 0.2 . 1 . . . . 230 GLU CB . 11522 1 536 . 1 1 119 119 GLU N N 15 118.753 0.1 . 1 . . . . 230 GLU N . 11522 1 537 . 1 1 120 120 LYS H H 1 7.961 0.01 . 1 . . . . 231 LYS H . 11522 1 538 . 1 1 120 120 LYS C C 13 173.863 0.2 . 1 . . . . 231 LYS C . 11522 1 539 . 1 1 120 120 LYS CA C 13 56.46 0.2 . 1 . . . . 231 LYS CA . 11522 1 540 . 1 1 120 120 LYS CB C 13 29.169 0.2 . 1 . . . . 231 LYS CB . 11522 1 541 . 1 1 120 120 LYS N N 15 114.352 0.1 . 1 . . . . 231 LYS N . 11522 1 542 . 1 1 121 121 TYR H H 1 7.934 0.01 . 1 . . . . 232 TYR H . 11522 1 543 . 1 1 121 121 TYR C C 13 175.028 0.2 . 1 . . . . 232 TYR C . 11522 1 544 . 1 1 121 121 TYR CA C 13 56.696 0.2 . 1 . . . . 232 TYR CA . 11522 1 545 . 1 1 121 121 TYR CB C 13 34.311 0.2 . 1 . . . . 232 TYR CB . 11522 1 546 . 1 1 121 121 TYR N N 15 110.603 0.1 . 1 . . . . 232 TYR N . 11522 1 547 . 1 1 122 122 LYS H H 1 7.208 0.01 . 1 . . . . 233 LYS H . 11522 1 548 . 1 1 122 122 LYS C C 13 174.757 0.2 . 1 . . . . 233 LYS C . 11522 1 549 . 1 1 122 122 LYS CA C 13 57.112 0.2 . 1 . . . . 233 LYS CA . 11522 1 550 . 1 1 122 122 LYS CB C 13 33 0.2 . 1 . . . . 233 LYS CB . 11522 1 551 . 1 1 122 122 LYS N N 15 116.692 0.1 . 1 . . . . 233 LYS N . 11522 1 552 . 1 1 123 123 LEU H H 1 7.692 0.01 . 1 . . . . 234 LEU H . 11522 1 553 . 1 1 123 123 LEU C C 13 175.402 0.2 . 1 . . . . 234 LEU C . 11522 1 554 . 1 1 123 123 LEU CA C 13 54.391 0.2 . 1 . . . . 234 LEU CA . 11522 1 555 . 1 1 123 123 LEU CB C 13 40.497 0.2 . 1 . . . . 234 LEU CB . 11522 1 556 . 1 1 123 123 LEU N N 15 126.583 0.1 . 1 . . . . 234 LEU N . 11522 1 557 . 1 1 124 124 VAL H H 1 8.325 0.01 . 1 . . . . 235 VAL H . 11522 1 558 . 1 1 124 124 VAL C C 13 174.972 0.2 . 1 . . . . 235 VAL C . 11522 1 559 . 1 1 124 124 VAL CA C 13 61.773 0.2 . 1 . . . . 235 VAL CA . 11522 1 560 . 1 1 124 124 VAL CB C 13 31.296 0.2 . 1 . . . . 235 VAL CB . 11522 1 561 . 1 1 124 124 VAL N N 15 128.41 0.1 . 1 . . . . 235 VAL N . 11522 1 562 . 1 1 125 125 LEU H H 1 9.002 0.01 . 1 . . . . 236 LEU H . 11522 1 563 . 1 1 125 125 LEU C C 13 176.604 0.2 . 1 . . . . 236 LEU C . 11522 1 564 . 1 1 125 125 LEU CA C 13 53.444 0.2 . 1 . . . . 236 LEU CA . 11522 1 565 . 1 1 125 125 LEU CB C 13 46.53 0.2 . 1 . . . . 236 LEU CB . 11522 1 566 . 1 1 125 125 LEU N N 15 132.308 0.1 . 1 . . . . 236 LEU N . 11522 1 567 . 1 1 126 126 GLY H H 1 8.536 0.01 . 1 . . . . 237 GLY H . 11522 1 568 . 1 1 126 126 GLY C C 13 172.962 0.2 . 1 . . . . 237 GLY C . 11522 1 569 . 1 1 126 126 GLY CA C 13 43.169 0.2 . 1 . . . . 237 GLY CA . 11522 1 570 . 1 1 126 126 GLY N N 15 115.662 0.1 . 1 . . . . 237 GLY N . 11522 1 571 . 1 1 127 127 ALA H H 1 8.371 0.01 . 1 . . . . 238 ALA H . 11522 1 572 . 1 1 127 127 ALA C C 13 177.815 0.2 . 1 . . . . 238 ALA C . 11522 1 573 . 1 1 127 127 ALA CA C 13 52.638 0.2 . 1 . . . . 238 ALA CA . 11522 1 574 . 1 1 127 127 ALA CB C 13 18.938 0.2 . 1 . . . . 238 ALA CB . 11522 1 575 . 1 1 127 127 ALA N N 15 120.311 0.1 . 1 . . . . 238 ALA N . 11522 1 576 . 1 1 128 128 PHE H H 1 8.686 0.01 . 1 . . . . 239 PHE H . 11522 1 577 . 1 1 128 128 PHE C C 13 176.061 0.2 . 1 . . . . 239 PHE C . 11522 1 578 . 1 1 128 128 PHE CA C 13 57.759 0.2 . 1 . . . . 239 PHE CA . 11522 1 579 . 1 1 128 128 PHE CB C 13 38.899 0.2 . 1 . . . . 239 PHE CB . 11522 1 580 . 1 1 128 128 PHE N N 15 121.636 0.1 . 1 . . . . 239 PHE N . 11522 1 581 . 1 1 129 129 VAL H H 1 8.406 0.01 . 1 . . . . 240 VAL H . 11522 1 582 . 1 1 129 129 VAL C C 13 175.501 0.2 . 1 . . . . 240 VAL C . 11522 1 583 . 1 1 129 129 VAL CA C 13 61.909 0.2 . 1 . . . . 240 VAL CA . 11522 1 584 . 1 1 129 129 VAL CB C 13 31.662 0.2 . 1 . . . . 240 VAL CB . 11522 1 585 . 1 1 129 129 VAL N N 15 127.431 0.1 . 1 . . . . 240 VAL N . 11522 1 586 . 1 1 130 130 GLY H H 1 5.366 0.01 . 1 . . . . 241 GLY H . 11522 1 587 . 1 1 130 130 GLY C C 13 170.64 0.2 . 1 . . . . 241 GLY C . 11522 1 588 . 1 1 130 130 GLY CA C 13 44.228 0.2 . 1 . . . . 241 GLY CA . 11522 1 589 . 1 1 130 130 GLY N N 15 105.391 0.1 . 1 . . . . 241 GLY N . 11522 1 590 . 1 1 131 131 GLY H H 1 7.805 0.01 . 1 . . . . 242 GLY H . 11522 1 591 . 1 1 131 131 GLY C C 13 175.87 0.2 . 1 . . . . 242 GLY C . 11522 1 592 . 1 1 131 131 GLY CA C 13 44.754 0.2 . 1 . . . . 242 GLY CA . 11522 1 593 . 1 1 131 131 GLY N N 15 106.171 0.1 . 1 . . . . 242 GLY N . 11522 1 594 . 1 1 132 132 SER H H 1 6.072 0.01 . 1 . . . . 243 SER H . 11522 1 595 . 1 1 132 132 SER C C 13 175.878 0.2 . 1 . . . . 243 SER C . 11522 1 596 . 1 1 132 132 SER CA C 13 58.342 0.2 . 1 . . . . 243 SER CA . 11522 1 597 . 1 1 132 132 SER CB C 13 62.779 0.2 . 1 . . . . 243 SER CB . 11522 1 598 . 1 1 132 132 SER N N 15 119.116 0.1 . 1 . . . . 243 SER N . 11522 1 599 . 1 1 133 133 ALA H H 1 8.879 0.01 . 1 . . . . 244 ALA H . 11522 1 600 . 1 1 133 133 ALA C C 13 176.866 0.2 . 1 . . . . 244 ALA C . 11522 1 601 . 1 1 133 133 ALA CA C 13 51.795 0.2 . 1 . . . . 244 ALA CA . 11522 1 602 . 1 1 133 133 ALA CB C 13 17.588 0.2 . 1 . . . . 244 ALA CB . 11522 1 603 . 1 1 133 133 ALA N N 15 122.333 0.1 . 1 . . . . 244 ALA N . 11522 1 604 . 1 1 134 134 GLY H H 1 7.235 0.01 . 1 . . . . 245 GLY H . 11522 1 605 . 1 1 134 134 GLY C C 13 172.397 0.2 . 1 . . . . 245 GLY C . 11522 1 606 . 1 1 134 134 GLY CA C 13 44.329 0.2 . 1 . . . . 245 GLY CA . 11522 1 607 . 1 1 134 134 GLY N N 15 100.098 0.1 . 1 . . . . 245 GLY N . 11522 1 608 . 1 1 135 135 ASN H H 1 8.225 0.01 . 1 . . . . 246 ASN H . 11522 1 609 . 1 1 135 135 ASN C C 13 175.715 0.2 . 1 . . . . 246 ASN C . 11522 1 610 . 1 1 135 135 ASN CA C 13 51.349 0.2 . 1 . . . . 246 ASN CA . 11522 1 611 . 1 1 135 135 ASN CB C 13 37.382 0.2 . 1 . . . . 246 ASN CB . 11522 1 612 . 1 1 135 135 ASN N N 15 114.948 0.1 . 1 . . . . 246 ASN N . 11522 1 613 . 1 1 136 136 SER H H 1 6.082 0.01 . 1 . . . . 247 SER H . 11522 1 614 . 1 1 136 136 SER C C 13 171.939 0.2 . 1 . . . . 247 SER C . 11522 1 615 . 1 1 136 136 SER CA C 13 56.76 0.2 . 1 . . . . 247 SER CA . 11522 1 616 . 1 1 136 136 SER CB C 13 63.114 0.2 . 1 . . . . 247 SER CB . 11522 1 617 . 1 1 136 136 SER N N 15 117.767 0.1 . 1 . . . . 247 SER N . 11522 1 618 . 1 1 137 137 LEU H H 1 7.609 0.01 . 1 . . . . 248 LEU H . 11522 1 619 . 1 1 137 137 LEU C C 13 177.272 0.2 . 1 . . . . 248 LEU C . 11522 1 620 . 1 1 137 137 LEU CA C 13 53.827 0.2 . 1 . . . . 248 LEU CA . 11522 1 621 . 1 1 137 137 LEU CB C 13 45.755 0.2 . 1 . . . . 248 LEU CB . 11522 1 622 . 1 1 137 137 LEU N N 15 119.722 0.1 . 1 . . . . 248 LEU N . 11522 1 623 . 1 1 139 139 GLY C C 13 173.734 0.2 . 1 . . . . 250 GLY C . 11522 1 624 . 1 1 139 139 GLY CA C 13 45.694 0.2 . 1 . . . . 250 GLY CA . 11522 1 625 . 1 1 140 140 HIS H H 1 7.994 0.01 . 1 . . . . 251 HIS H . 11522 1 626 . 1 1 140 140 HIS C C 13 175.298 0.2 . 1 . . . . 251 HIS C . 11522 1 627 . 1 1 140 140 HIS CA C 13 56.987 0.2 . 1 . . . . 251 HIS CA . 11522 1 628 . 1 1 140 140 HIS CB C 13 29.111 0.2 . 1 . . . . 251 HIS CB . 11522 1 629 . 1 1 140 140 HIS N N 15 117.695 0.1 . 1 . . . . 251 HIS N . 11522 1 630 . 1 1 141 141 ASN H H 1 7.749 0.01 . 1 . . . . 252 ASN H . 11522 1 631 . 1 1 141 141 ASN C C 13 174.947 0.2 . 1 . . . . 252 ASN C . 11522 1 632 . 1 1 141 141 ASN CA C 13 54.939 0.2 . 1 . . . . 252 ASN CA . 11522 1 633 . 1 1 141 141 ASN CB C 13 38.804 0.2 . 1 . . . . 252 ASN CB . 11522 1 634 . 1 1 141 141 ASN N N 15 119.841 0.1 . 1 . . . . 252 ASN N . 11522 1 635 . 1 1 142 142 ASN H H 1 8.687 0.01 . 1 . . . . 253 ASN H . 11522 1 636 . 1 1 142 142 ASN C C 13 173.803 0.2 . 1 . . . . 253 ASN C . 11522 1 637 . 1 1 142 142 ASN CA C 13 54.754 0.2 . 1 . . . . 253 ASN CA . 11522 1 638 . 1 1 142 142 ASN CB C 13 37.582 0.2 . 1 . . . . 253 ASN CB . 11522 1 639 . 1 1 142 142 ASN N N 15 120.675 0.1 . 1 . . . . 253 ASN N . 11522 1 640 . 1 1 143 143 ASN H H 1 7.574 0.01 . 1 . . . . 254 ASN H . 11522 1 641 . 1 1 143 143 ASN C C 13 175.378 0.2 . 1 . . . . 254 ASN C . 11522 1 642 . 1 1 143 143 ASN CA C 13 54.118 0.2 . 1 . . . . 254 ASN CA . 11522 1 643 . 1 1 143 143 ASN CB C 13 40.752 0.2 . 1 . . . . 254 ASN CB . 11522 1 644 . 1 1 143 143 ASN N N 15 115.3 0.1 . 1 . . . . 254 ASN N . 11522 1 645 . 1 1 144 144 PHE H H 1 8.527 0.01 . 1 . . . . 255 PHE H . 11522 1 646 . 1 1 144 144 PHE C C 13 175.579 0.2 . 1 . . . . 255 PHE C . 11522 1 647 . 1 1 144 144 PHE CA C 13 56.518 0.2 . 1 . . . . 255 PHE CA . 11522 1 648 . 1 1 144 144 PHE CB C 13 39.689 0.2 . 1 . . . . 255 PHE CB . 11522 1 649 . 1 1 144 144 PHE N N 15 120.604 0.1 . 1 . . . . 255 PHE N . 11522 1 650 . 1 1 145 145 PHE H H 1 9.519 0.01 . 1 . . . . 256 PHE H . 11522 1 651 . 1 1 145 145 PHE C C 13 173.914 0.2 . 1 . . . . 256 PHE C . 11522 1 652 . 1 1 145 145 PHE CA C 13 60.165 0.2 . 1 . . . . 256 PHE CA . 11522 1 653 . 1 1 145 145 PHE CB C 13 40.402 0.2 . 1 . . . . 256 PHE CB . 11522 1 654 . 1 1 145 145 PHE N N 15 126.005 0.1 . 1 . . . . 256 PHE N . 11522 1 655 . 1 1 146 146 SER H H 1 7.846 0.01 . 1 . . . . 257 SER H . 11522 1 656 . 1 1 146 146 SER C C 13 172.289 0.2 . 1 . . . . 257 SER C . 11522 1 657 . 1 1 146 146 SER CA C 13 60.387 0.2 . 1 . . . . 257 SER CA . 11522 1 658 . 1 1 146 146 SER CB C 13 68.691 0.2 . 1 . . . . 257 SER CB . 11522 1 659 . 1 1 146 146 SER N N 15 122.136 0.1 . 1 . . . . 257 SER N . 11522 1 660 . 1 1 147 147 THR H H 1 8.211 0.01 . 1 . . . . 258 THR H . 11522 1 661 . 1 1 147 147 THR C C 13 177.688 0.2 . 1 . . . . 258 THR C . 11522 1 662 . 1 1 147 147 THR CA C 13 59.662 0.2 . 1 . . . . 258 THR CA . 11522 1 663 . 1 1 147 147 THR CB C 13 72.591 0.2 . 1 . . . . 258 THR CB . 11522 1 664 . 1 1 147 147 THR N N 15 109.857 0.1 . 1 . . . . 258 THR N . 11522 1 665 . 1 1 148 148 LYS H H 1 10.08 0.01 . 1 . . . . 259 LYS H . 11522 1 666 . 1 1 148 148 LYS C C 13 175.622 0.2 . 1 . . . . 259 LYS C . 11522 1 667 . 1 1 148 148 LYS CA C 13 59.437 0.2 . 1 . . . . 259 LYS CA . 11522 1 668 . 1 1 148 148 LYS CB C 13 29.634 0.2 . 1 . . . . 259 LYS CB . 11522 1 669 . 1 1 148 148 LYS N N 15 121.704 0.1 . 1 . . . . 259 LYS N . 11522 1 670 . 1 1 149 149 ASP H H 1 8.856 0.01 . 1 . . . . 260 ASP H . 11522 1 671 . 1 1 149 149 ASP C C 13 174.858 0.2 . 1 . . . . 260 ASP C . 11522 1 672 . 1 1 149 149 ASP CA C 13 52.65 0.2 . 1 . . . . 260 ASP CA . 11522 1 673 . 1 1 149 149 ASP CB C 13 40.284 0.2 . 1 . . . . 260 ASP CB . 11522 1 674 . 1 1 149 149 ASP N N 15 114.524 0.1 . 1 . . . . 260 ASP N . 11522 1 675 . 1 1 150 150 GLN H H 1 7.924 0.01 . 1 . . . . 261 GLN H . 11522 1 676 . 1 1 150 150 GLN C C 13 171.123 0.2 . 1 . . . . 261 GLN C . 11522 1 677 . 1 1 150 150 GLN CA C 13 55.71 0.2 . 1 . . . . 261 GLN CA . 11522 1 678 . 1 1 150 150 GLN CB C 13 29.578 0.2 . 1 . . . . 261 GLN CB . 11522 1 679 . 1 1 150 150 GLN N N 15 125.838 0.1 . 1 . . . . 261 GLN N . 11522 1 680 . 1 1 151 151 ASP H H 1 8.105 0.01 . 1 . . . . 262 ASP H . 11522 1 681 . 1 1 151 151 ASP C C 13 175.961 0.2 . 1 . . . . 262 ASP C . 11522 1 682 . 1 1 151 151 ASP CA C 13 53.371 0.2 . 1 . . . . 262 ASP CA . 11522 1 683 . 1 1 151 151 ASP CB C 13 38.937 0.2 . 1 . . . . 262 ASP CB . 11522 1 684 . 1 1 151 151 ASP N N 15 124.093 0.1 . 1 . . . . 262 ASP N . 11522 1 685 . 1 1 152 152 ASN H H 1 9.573 0.01 . 1 . . . . 263 ASN H . 11522 1 686 . 1 1 152 152 ASN C C 13 175.999 0.2 . 1 . . . . 263 ASN C . 11522 1 687 . 1 1 152 152 ASN CA C 13 51.853 0.2 . 1 . . . . 263 ASN CA . 11522 1 688 . 1 1 152 152 ASN CB C 13 40.192 0.2 . 1 . . . . 263 ASN CB . 11522 1 689 . 1 1 152 152 ASN N N 15 129.112 0.1 . 1 . . . . 263 ASN N . 11522 1 690 . 1 1 153 153 ASP C C 13 177.399 0.2 . 1 . . . . 264 ASP C . 11522 1 691 . 1 1 153 153 ASP CA C 13 54.499 0.2 . 1 . . . . 264 ASP CA . 11522 1 692 . 1 1 153 153 ASP CB C 13 41.974 0.2 . 1 . . . . 264 ASP CB . 11522 1 693 . 1 1 154 154 VAL H H 1 7.672 0.01 . 1 . . . . 265 VAL H . 11522 1 694 . 1 1 154 154 VAL C C 13 174.806 0.2 . 1 . . . . 265 VAL C . 11522 1 695 . 1 1 154 154 VAL CA C 13 59.774 0.2 . 1 . . . . 265 VAL CA . 11522 1 696 . 1 1 154 154 VAL CB C 13 29.127 0.2 . 1 . . . . 265 VAL CB . 11522 1 697 . 1 1 154 154 VAL N N 15 110.876 0.1 . 1 . . . . 265 VAL N . 11522 1 698 . 1 1 155 155 SER H H 1 9.263 0.01 . 1 . . . . 266 SER H . 11522 1 699 . 1 1 155 155 SER C C 13 177.348 0.2 . 1 . . . . 266 SER C . 11522 1 700 . 1 1 155 155 SER CA C 13 55.862 0.2 . 1 . . . . 266 SER CA . 11522 1 701 . 1 1 155 155 SER CB C 13 65.281 0.2 . 1 . . . . 266 SER CB . 11522 1 702 . 1 1 155 155 SER N N 15 118.134 0.1 . 1 . . . . 266 SER N . 11522 1 703 . 1 1 158 158 ASN C C 13 174.647 0.2 . 1 . . . . 269 ASN C . 11522 1 704 . 1 1 158 158 ASN CA C 13 51.781 0.2 . 1 . . . . 269 ASN CA . 11522 1 705 . 1 1 158 158 ASN CB C 13 36.401 0.2 . 1 . . . . 269 ASN CB . 11522 1 706 . 1 1 159 159 CYS H H 1 8.74 0.01 . 1 . . . . 270 CYS H . 11522 1 707 . 1 1 159 159 CYS C C 13 174.915 0.2 . 1 . . . . 270 CYS C . 11522 1 708 . 1 1 159 159 CYS CA C 13 58.35 0.2 . 1 . . . . 270 CYS CA . 11522 1 709 . 1 1 159 159 CYS CB C 13 37.054 0.2 . 1 . . . . 270 CYS CB . 11522 1 710 . 1 1 159 159 CYS N N 15 123.19 0.1 . 1 . . . . 270 CYS N . 11522 1 711 . 1 1 160 160 ALA H H 1 9.174 0.01 . 1 . . . . 271 ALA H . 11522 1 712 . 1 1 160 160 ALA C C 13 178.607 0.2 . 1 . . . . 271 ALA C . 11522 1 713 . 1 1 160 160 ALA CA C 13 55.167 0.2 . 1 . . . . 271 ALA CA . 11522 1 714 . 1 1 160 160 ALA CB C 13 17.084 0.2 . 1 . . . . 271 ALA CB . 11522 1 715 . 1 1 160 160 ALA N N 15 122.839 0.1 . 1 . . . . 271 ALA N . 11522 1 716 . 1 1 161 161 GLU H H 1 6.952 0.01 . 1 . . . . 272 GLU H . 11522 1 717 . 1 1 161 161 GLU C C 13 179.653 0.2 . 1 . . . . 272 GLU C . 11522 1 718 . 1 1 161 161 GLU CA C 13 57.126 0.2 . 1 . . . . 272 GLU CA . 11522 1 719 . 1 1 161 161 GLU CB C 13 30.611 0.2 . 1 . . . . 272 GLU CB . 11522 1 720 . 1 1 161 161 GLU N N 15 114.92 0.1 . 1 . . . . 272 GLU N . 11522 1 721 . 1 1 162 162 LYS H H 1 8.43 0.01 . 1 . . . . 273 LYS H . 11522 1 722 . 1 1 162 162 LYS C C 13 178.079 0.2 . 1 . . . . 273 LYS C . 11522 1 723 . 1 1 162 162 LYS CA C 13 58.86 0.2 . 1 . . . . 273 LYS CA . 11522 1 724 . 1 1 162 162 LYS CB C 13 32.104 0.2 . 1 . . . . 273 LYS CB . 11522 1 725 . 1 1 162 162 LYS N N 15 121.262 0.1 . 1 . . . . 273 LYS N . 11522 1 726 . 1 1 163 163 PHE H H 1 8.395 0.01 . 1 . . . . 274 PHE H . 11522 1 727 . 1 1 163 163 PHE C C 13 171.716 0.2 . 1 . . . . 274 PHE C . 11522 1 728 . 1 1 163 163 PHE CA C 13 58.241 0.2 . 1 . . . . 274 PHE CA . 11522 1 729 . 1 1 163 163 PHE CB C 13 36.021 0.2 . 1 . . . . 274 PHE CB . 11522 1 730 . 1 1 163 163 PHE N N 15 114.689 0.1 . 1 . . . . 274 PHE N . 11522 1 731 . 1 1 164 164 GLN H H 1 7.128 0.01 . 1 . . . . 275 GLN H . 11522 1 732 . 1 1 164 164 GLN C C 13 173.477 0.2 . 1 . . . . 275 GLN C . 11522 1 733 . 1 1 164 164 GLN CA C 13 56.27 0.2 . 1 . . . . 275 GLN CA . 11522 1 734 . 1 1 164 164 GLN CB C 13 27.335 0.2 . 1 . . . . 275 GLN CB . 11522 1 735 . 1 1 164 164 GLN N N 15 116.06 0.1 . 1 . . . . 275 GLN N . 11522 1 736 . 1 1 165 165 GLY H H 1 8.045 0.01 . 1 . . . . 276 GLY H . 11522 1 737 . 1 1 165 165 GLY C C 13 172.101 0.2 . 1 . . . . 276 GLY C . 11522 1 738 . 1 1 165 165 GLY CA C 13 45.946 0.2 . 1 . . . . 276 GLY CA . 11522 1 739 . 1 1 165 165 GLY N N 15 104.965 0.1 . 1 . . . . 276 GLY N . 11522 1 740 . 1 1 166 166 ALA H H 1 6.166 0.01 . 1 . . . . 277 ALA H . 11522 1 741 . 1 1 166 166 ALA C C 13 176.462 0.2 . 1 . . . . 277 ALA C . 11522 1 742 . 1 1 166 166 ALA CA C 13 52.328 0.2 . 1 . . . . 277 ALA CA . 11522 1 743 . 1 1 166 166 ALA CB C 13 21.804 0.2 . 1 . . . . 277 ALA CB . 11522 1 744 . 1 1 166 166 ALA N N 15 121.119 0.1 . 1 . . . . 277 ALA N . 11522 1 745 . 1 1 167 167 TRP H H 1 7.701 0.01 . 1 . . . . 278 TRP H . 11522 1 746 . 1 1 167 167 TRP C C 13 173.93 0.2 . 1 . . . . 278 TRP C . 11522 1 747 . 1 1 167 167 TRP CA C 13 54.372 0.2 . 1 . . . . 278 TRP CA . 11522 1 748 . 1 1 167 167 TRP CB C 13 33.089 0.2 . 1 . . . . 278 TRP CB . 11522 1 749 . 1 1 167 167 TRP N N 15 125.16 0.1 . 1 . . . . 278 TRP N . 11522 1 750 . 1 1 168 168 TRP H H 1 5.644 0.01 . 1 . . . . 279 TRP H . 11522 1 751 . 1 1 168 168 TRP C C 13 177.734 0.2 . 1 . . . . 279 TRP C . 11522 1 752 . 1 1 168 168 TRP CA C 13 56.696 0.2 . 1 . . . . 279 TRP CA . 11522 1 753 . 1 1 168 168 TRP CB C 13 24.628 0.2 . 1 . . . . 279 TRP CB . 11522 1 754 . 1 1 168 168 TRP N N 15 126.259 0.1 . 1 . . . . 279 TRP N . 11522 1 755 . 1 1 169 169 TYR H H 1 7.767 0.01 . 1 . . . . 280 TYR H . 11522 1 756 . 1 1 169 169 TYR C C 13 174.461 0.2 . 1 . . . . 280 TYR C . 11522 1 757 . 1 1 169 169 TYR CA C 13 61.84 0.2 . 1 . . . . 280 TYR CA . 11522 1 758 . 1 1 169 169 TYR CB C 13 39.485 0.2 . 1 . . . . 280 TYR CB . 11522 1 759 . 1 1 169 169 TYR N N 15 121.934 0.1 . 1 . . . . 280 TYR N . 11522 1 760 . 1 1 170 170 ALA H H 1 9.116 0.01 . 1 . . . . 281 ALA H . 11522 1 761 . 1 1 170 170 ALA C C 13 174.5 0.2 . 1 . . . . 281 ALA C . 11522 1 762 . 1 1 170 170 ALA CA C 13 52.52 0.2 . 1 . . . . 281 ALA CA . 11522 1 763 . 1 1 170 170 ALA CB C 13 18.043 0.2 . 1 . . . . 281 ALA CB . 11522 1 764 . 1 1 170 170 ALA N N 15 127.275 0.1 . 1 . . . . 281 ALA N . 11522 1 765 . 1 1 173 173 HIS C C 13 173.249 0.2 . 1 . . . . 284 HIS C . 11522 1 766 . 1 1 173 173 HIS CA C 13 56.495 0.2 . 1 . . . . 284 HIS CA . 11522 1 767 . 1 1 174 174 ALA H H 1 10.545 0.01 . 1 . . . . 285 ALA H . 11522 1 768 . 1 1 174 174 ALA C C 13 177.071 0.2 . 1 . . . . 285 ALA C . 11522 1 769 . 1 1 174 174 ALA CA C 13 52.417 0.2 . 1 . . . . 285 ALA CA . 11522 1 770 . 1 1 174 174 ALA CB C 13 20.423 0.2 . 1 . . . . 285 ALA CB . 11522 1 771 . 1 1 174 174 ALA N N 15 123.455 0.1 . 1 . . . . 285 ALA N . 11522 1 772 . 1 1 175 175 SER H H 1 8.422 0.01 . 1 . . . . 286 SER H . 11522 1 773 . 1 1 175 175 SER C C 13 171.794 0.2 . 1 . . . . 286 SER C . 11522 1 774 . 1 1 175 175 SER CA C 13 55.53 0.2 . 1 . . . . 286 SER CA . 11522 1 775 . 1 1 175 175 SER CB C 13 67.117 0.2 . 1 . . . . 286 SER CB . 11522 1 776 . 1 1 175 175 SER N N 15 114.254 0.1 . 1 . . . . 286 SER N . 11522 1 777 . 1 1 176 176 ASN H H 1 7.837 0.01 . 1 . . . . 287 ASN H . 11522 1 778 . 1 1 176 176 ASN C C 13 176.66 0.2 . 1 . . . . 287 ASN C . 11522 1 779 . 1 1 176 176 ASN CA C 13 50.772 0.2 . 1 . . . . 287 ASN CA . 11522 1 780 . 1 1 176 176 ASN CB C 13 39.379 0.2 . 1 . . . . 287 ASN CB . 11522 1 781 . 1 1 176 176 ASN N N 15 113.189 0.1 . 1 . . . . 287 ASN N . 11522 1 782 . 1 1 177 177 LEU C C 13 175.281 0.2 . 1 . . . . 288 LEU C . 11522 1 783 . 1 1 177 177 LEU CA C 13 57.053 0.2 . 1 . . . . 288 LEU CA . 11522 1 784 . 1 1 177 177 LEU CB C 13 37.651 0.2 . 1 . . . . 288 LEU CB . 11522 1 785 . 1 1 178 178 ASN H H 1 7.582 0.01 . 1 . . . . 289 ASN H . 11522 1 786 . 1 1 178 178 ASN C C 13 174.739 0.2 . 1 . . . . 289 ASN C . 11522 1 787 . 1 1 178 178 ASN CA C 13 52.381 0.2 . 1 . . . . 289 ASN CA . 11522 1 788 . 1 1 178 178 ASN CB C 13 37.69 0.2 . 1 . . . . 289 ASN CB . 11522 1 789 . 1 1 178 178 ASN N N 15 116.935 0.1 . 1 . . . . 289 ASN N . 11522 1 790 . 1 1 179 179 GLY H H 1 7.077 0.01 . 1 . . . . 290 GLY H . 11522 1 791 . 1 1 179 179 GLY C C 13 173.161 0.2 . 1 . . . . 290 GLY C . 11522 1 792 . 1 1 179 179 GLY CA C 13 43.373 0.2 . 1 . . . . 290 GLY CA . 11522 1 793 . 1 1 179 179 GLY N N 15 103.792 0.1 . 1 . . . . 290 GLY N . 11522 1 794 . 1 1 180 180 LEU H H 1 7.82 0.01 . 1 . . . . 291 LEU H . 11522 1 795 . 1 1 180 180 LEU C C 13 176.431 0.2 . 1 . . . . 291 LEU C . 11522 1 796 . 1 1 180 180 LEU CA C 13 55.454 0.2 . 1 . . . . 291 LEU CA . 11522 1 797 . 1 1 180 180 LEU CB C 13 41.529 0.2 . 1 . . . . 291 LEU CB . 11522 1 798 . 1 1 180 180 LEU N N 15 117.802 0.1 . 1 . . . . 291 LEU N . 11522 1 799 . 1 1 181 181 TYR H H 1 8.918 0.01 . 1 . . . . 292 TYR H . 11522 1 800 . 1 1 181 181 TYR CA C 13 57.639 0.2 . 1 . . . . 292 TYR CA . 11522 1 801 . 1 1 181 181 TYR CB C 13 36.767 0.2 . 1 . . . . 292 TYR CB . 11522 1 802 . 1 1 181 181 TYR N N 15 121.509 0.1 . 1 . . . . 292 TYR N . 11522 1 803 . 1 1 185 185 PRO C C 13 176.338 0.2 . 1 . . . . 296 PRO C . 11522 1 804 . 1 1 185 185 PRO CA C 13 62.485 0.2 . 1 . . . . 296 PRO CA . 11522 1 805 . 1 1 185 185 PRO CB C 13 31.303 0.2 . 1 . . . . 296 PRO CB . 11522 1 806 . 1 1 186 186 HIS H H 1 7.884 0.01 . 1 . . . . 297 HIS H . 11522 1 807 . 1 1 186 186 HIS C C 13 174.413 0.2 . 1 . . . . 297 HIS C . 11522 1 808 . 1 1 186 186 HIS CA C 13 53.149 0.2 . 1 . . . . 297 HIS CA . 11522 1 809 . 1 1 186 186 HIS CB C 13 31.344 0.2 . 1 . . . . 297 HIS CB . 11522 1 810 . 1 1 186 186 HIS N N 15 119.683 0.1 . 1 . . . . 297 HIS N . 11522 1 811 . 1 1 187 187 GLU H H 1 8.672 0.01 . 1 . . . . 298 GLU H . 11522 1 812 . 1 1 187 187 GLU C C 13 178.362 0.2 . 1 . . . . 298 GLU C . 11522 1 813 . 1 1 187 187 GLU CA C 13 56.713 0.2 . 1 . . . . 298 GLU CA . 11522 1 814 . 1 1 187 187 GLU CB C 13 30.442 0.2 . 1 . . . . 298 GLU CB . 11522 1 815 . 1 1 187 187 GLU N N 15 118.674 0.1 . 1 . . . . 298 GLU N . 11522 1 816 . 1 1 188 188 SER H H 1 7.55 0.01 . 1 . . . . 299 SER H . 11522 1 817 . 1 1 188 188 SER C C 13 174.159 0.2 . 1 . . . . 299 SER C . 11522 1 818 . 1 1 188 188 SER CA C 13 56.798 0.2 . 1 . . . . 299 SER CA . 11522 1 819 . 1 1 188 188 SER CB C 13 62.316 0.2 . 1 . . . . 299 SER CB . 11522 1 820 . 1 1 188 188 SER N N 15 112.742 0.1 . 1 . . . . 299 SER N . 11522 1 821 . 1 1 189 189 TYR H H 1 8.657 0.01 . 1 . . . . 300 TYR H . 11522 1 822 . 1 1 189 189 TYR C C 13 176.44 0.2 . 1 . . . . 300 TYR C . 11522 1 823 . 1 1 189 189 TYR CA C 13 58.569 0.2 . 1 . . . . 300 TYR CA . 11522 1 824 . 1 1 189 189 TYR CB C 13 38.653 0.2 . 1 . . . . 300 TYR CB . 11522 1 825 . 1 1 189 189 TYR N N 15 122.638 0.1 . 1 . . . . 300 TYR N . 11522 1 826 . 1 1 190 190 ALA H H 1 8.073 0.01 . 1 . . . . 301 ALA H . 11522 1 827 . 1 1 190 190 ALA C C 13 175.733 0.2 . 1 . . . . 301 ALA C . 11522 1 828 . 1 1 190 190 ALA CA C 13 53.365 0.2 . 1 . . . . 301 ALA CA . 11522 1 829 . 1 1 190 190 ALA CB C 13 18.016 0.2 . 1 . . . . 301 ALA CB . 11522 1 830 . 1 1 190 190 ALA N N 15 126.703 0.1 . 1 . . . . 301 ALA N . 11522 1 831 . 1 1 191 191 ASN H H 1 8.228 0.01 . 1 . . . . 302 ASN H . 11522 1 832 . 1 1 191 191 ASN C C 13 173.591 0.2 . 1 . . . . 302 ASN C . 11522 1 833 . 1 1 191 191 ASN CA C 13 51.538 0.2 . 1 . . . . 302 ASN CA . 11522 1 834 . 1 1 191 191 ASN CB C 13 36.925 0.2 . 1 . . . . 302 ASN CB . 11522 1 835 . 1 1 191 191 ASN N N 15 114.463 0.1 . 1 . . . . 302 ASN N . 11522 1 836 . 1 1 192 192 GLY H H 1 7.593 0.01 . 1 . . . . 303 GLY H . 11522 1 837 . 1 1 192 192 GLY CA C 13 43.984 0.2 . 1 . . . . 303 GLY CA . 11522 1 838 . 1 1 192 192 GLY N N 15 107.623 0.1 . 1 . . . . 303 GLY N . 11522 1 839 . 1 1 193 193 ILE C C 13 175.321 0.2 . 1 . . . . 304 ILE C . 11522 1 840 . 1 1 193 193 ILE CA C 13 60.603 0.2 . 1 . . . . 304 ILE CA . 11522 1 841 . 1 1 193 193 ILE CB C 13 34.54 0.2 . 1 . . . . 304 ILE CB . 11522 1 842 . 1 1 194 194 ASN H H 1 7.054 0.01 . 1 . . . . 305 ASN H . 11522 1 843 . 1 1 194 194 ASN C C 13 174.005 0.2 . 1 . . . . 305 ASN C . 11522 1 844 . 1 1 194 194 ASN CA C 13 52.183 0.2 . 1 . . . . 305 ASN CA . 11522 1 845 . 1 1 194 194 ASN CB C 13 42.654 0.2 . 1 . . . . 305 ASN CB . 11522 1 846 . 1 1 194 194 ASN N N 15 122.129 0.1 . 1 . . . . 305 ASN N . 11522 1 847 . 1 1 195 195 TRP H H 1 10.026 0.01 . 1 . . . . 306 TRP H . 11522 1 848 . 1 1 195 195 TRP C C 13 176.644 0.2 . 1 . . . . 306 TRP C . 11522 1 849 . 1 1 195 195 TRP CA C 13 57.238 0.2 . 1 . . . . 306 TRP CA . 11522 1 850 . 1 1 195 195 TRP CB C 13 29.971 0.2 . 1 . . . . 306 TRP CB . 11522 1 851 . 1 1 195 195 TRP N N 15 127.7 0.1 . 1 . . . . 306 TRP N . 11522 1 852 . 1 1 196 196 SER H H 1 7.696 0.01 . 1 . . . . 307 SER H . 11522 1 853 . 1 1 196 196 SER C C 13 175.499 0.2 . 1 . . . . 307 SER C . 11522 1 854 . 1 1 196 196 SER CA C 13 62.857 0.2 . 1 . . . . 307 SER CA . 11522 1 855 . 1 1 196 196 SER CB C 13 61.129 0.2 . 1 . . . . 307 SER CB . 11522 1 856 . 1 1 196 196 SER N N 15 121.152 0.1 . 1 . . . . 307 SER N . 11522 1 857 . 1 1 197 197 ALA H H 1 7.949 0.01 . 1 . . . . 308 ALA H . 11522 1 858 . 1 1 197 197 ALA C C 13 176.692 0.2 . 1 . . . . 308 ALA C . 11522 1 859 . 1 1 197 197 ALA CA C 13 53.388 0.2 . 1 . . . . 308 ALA CA . 11522 1 860 . 1 1 197 197 ALA CB C 13 18.195 0.2 . 1 . . . . 308 ALA CB . 11522 1 861 . 1 1 197 197 ALA N N 15 123.154 0.1 . 1 . . . . 308 ALA N . 11522 1 862 . 1 1 198 198 ALA H H 1 7.589 0.01 . 1 . . . . 309 ALA H . 11522 1 863 . 1 1 198 198 ALA C C 13 178.003 0.2 . 1 . . . . 309 ALA C . 11522 1 864 . 1 1 198 198 ALA CA C 13 52.18 0.2 . 1 . . . . 309 ALA CA . 11522 1 865 . 1 1 198 198 ALA CB C 13 18.964 0.2 . 1 . . . . 309 ALA CB . 11522 1 866 . 1 1 198 198 ALA N N 15 120.159 0.1 . 1 . . . . 309 ALA N . 11522 1 867 . 1 1 199 199 LYS H H 1 7.362 0.01 . 1 . . . . 310 LYS H . 11522 1 868 . 1 1 199 199 LYS C C 13 177.23 0.2 . 1 . . . . 310 LYS C . 11522 1 869 . 1 1 199 199 LYS CA C 13 56.133 0.2 . 1 . . . . 310 LYS CA . 11522 1 870 . 1 1 199 199 LYS CB C 13 32.004 0.2 . 1 . . . . 310 LYS CB . 11522 1 871 . 1 1 199 199 LYS N N 15 116.567 0.1 . 1 . . . . 310 LYS N . 11522 1 872 . 1 1 200 200 GLY H H 1 7.279 0.01 . 1 . . . . 311 GLY H . 11522 1 873 . 1 1 200 200 GLY C C 13 174.339 0.2 . 1 . . . . 311 GLY C . 11522 1 874 . 1 1 200 200 GLY CA C 13 45.063 0.2 . 1 . . . . 311 GLY CA . 11522 1 875 . 1 1 200 200 GLY N N 15 104.728 0.1 . 1 . . . . 311 GLY N . 11522 1 876 . 1 1 201 201 TYR H H 1 8.877 0.01 . 1 . . . . 312 TYR H . 11522 1 877 . 1 1 201 201 TYR C C 13 174.414 0.2 . 1 . . . . 312 TYR C . 11522 1 878 . 1 1 201 201 TYR CA C 13 59.894 0.2 . 1 . . . . 312 TYR CA . 11522 1 879 . 1 1 201 201 TYR CB C 13 39.21 0.2 . 1 . . . . 312 TYR CB . 11522 1 880 . 1 1 201 201 TYR N N 15 117.775 0.1 . 1 . . . . 312 TYR N . 11522 1 881 . 1 1 202 202 LYS H H 1 8.263 0.01 . 1 . . . . 313 LYS H . 11522 1 882 . 1 1 202 202 LYS C C 13 175.233 0.2 . 1 . . . . 313 LYS C . 11522 1 883 . 1 1 202 202 LYS CA C 13 54.57 0.2 . 1 . . . . 313 LYS CA . 11522 1 884 . 1 1 202 202 LYS CB C 13 31.127 0.2 . 1 . . . . 313 LYS CB . 11522 1 885 . 1 1 202 202 LYS N N 15 117.757 0.1 . 1 . . . . 313 LYS N . 11522 1 886 . 1 1 203 203 TYR H H 1 6.172 0.01 . 1 . . . . 314 TYR H . 11522 1 887 . 1 1 203 203 TYR C C 13 173.825 0.2 . 1 . . . . 314 TYR C . 11522 1 888 . 1 1 203 203 TYR CA C 13 57.692 0.2 . 1 . . . . 314 TYR CA . 11522 1 889 . 1 1 203 203 TYR CB C 13 41.174 0.2 . 1 . . . . 314 TYR CB . 11522 1 890 . 1 1 203 203 TYR N N 15 118.8 0.1 . 1 . . . . 314 TYR N . 11522 1 891 . 1 1 204 204 SER C C 13 173.86 0.2 . 1 . . . . 315 SER C . 11522 1 892 . 1 1 204 204 SER CA C 13 55.6 0.2 . 1 . . . . 315 SER CA . 11522 1 893 . 1 1 204 204 SER CB C 13 64.006 0.2 . 1 . . . . 315 SER CB . 11522 1 894 . 1 1 205 205 TYR H H 1 8.283 0.01 . 1 . . . . 316 TYR H . 11522 1 895 . 1 1 205 205 TYR C C 13 173.5 0.2 . 1 . . . . 316 TYR C . 11522 1 896 . 1 1 205 205 TYR CA C 13 62.361 0.2 . 1 . . . . 316 TYR CA . 11522 1 897 . 1 1 205 205 TYR CB C 13 38.555 0.2 . 1 . . . . 316 TYR CB . 11522 1 898 . 1 1 205 205 TYR N N 15 126.113 0.1 . 1 . . . . 316 TYR N . 11522 1 899 . 1 1 206 206 LYS H H 1 7.598 0.01 . 1 . . . . 317 LYS H . 11522 1 900 . 1 1 206 206 LYS C C 13 176.863 0.2 . 1 . . . . 317 LYS C . 11522 1 901 . 1 1 206 206 LYS CA C 13 56.894 0.2 . 1 . . . . 317 LYS CA . 11522 1 902 . 1 1 206 206 LYS CB C 13 32.273 0.2 . 1 . . . . 317 LYS CB . 11522 1 903 . 1 1 206 206 LYS N N 15 121.436 0.1 . 1 . . . . 317 LYS N . 11522 1 904 . 1 1 207 207 VAL H H 1 7.882 0.01 . 1 . . . . 318 VAL H . 11522 1 905 . 1 1 207 207 VAL C C 13 175.873 0.2 . 1 . . . . 318 VAL C . 11522 1 906 . 1 1 207 207 VAL CA C 13 59.095 0.2 . 1 . . . . 318 VAL CA . 11522 1 907 . 1 1 207 207 VAL CB C 13 35.372 0.2 . 1 . . . . 318 VAL CB . 11522 1 908 . 1 1 207 207 VAL N N 15 116.54 0.1 . 1 . . . . 318 VAL N . 11522 1 909 . 1 1 208 208 SER H H 1 8.234 0.01 . 1 . . . . 319 SER H . 11522 1 910 . 1 1 208 208 SER C C 13 173.305 0.2 . 1 . . . . 319 SER C . 11522 1 911 . 1 1 208 208 SER CA C 13 56.832 0.2 . 1 . . . . 319 SER CA . 11522 1 912 . 1 1 208 208 SER CB C 13 66.471 0.2 . 1 . . . . 319 SER CB . 11522 1 913 . 1 1 208 208 SER N N 15 119.941 0.1 . 1 . . . . 319 SER N . 11522 1 914 . 1 1 209 209 GLU H H 1 8.837 0.01 . 1 . . . . 320 GLU H . 11522 1 915 . 1 1 209 209 GLU C C 13 175.682 0.2 . 1 . . . . 320 GLU C . 11522 1 916 . 1 1 209 209 GLU CA C 13 54.529 0.2 . 1 . . . . 320 GLU CA . 11522 1 917 . 1 1 209 209 GLU CB C 13 35.718 0.2 . 1 . . . . 320 GLU CB . 11522 1 918 . 1 1 209 209 GLU N N 15 122.192 0.1 . 1 . . . . 320 GLU N . 11522 1 919 . 1 1 210 210 MET H H 1 7.896 0.01 . 1 . . . . 321 MET H . 11522 1 920 . 1 1 210 210 MET C C 13 174.328 0.2 . 1 . . . . 321 MET C . 11522 1 921 . 1 1 210 210 MET CA C 13 54.398 0.2 . 1 . . . . 321 MET CA . 11522 1 922 . 1 1 210 210 MET CB C 13 34.81 0.2 . 1 . . . . 321 MET CB . 11522 1 923 . 1 1 210 210 MET N N 15 118.633 0.1 . 1 . . . . 321 MET N . 11522 1 924 . 1 1 211 211 LYS H H 1 8.905 0.01 . 1 . . . . 322 LYS H . 11522 1 925 . 1 1 211 211 LYS C C 13 173.231 0.2 . 1 . . . . 322 LYS C . 11522 1 926 . 1 1 211 211 LYS CA C 13 53.998 0.2 . 1 . . . . 322 LYS CA . 11522 1 927 . 1 1 211 211 LYS CB C 13 35.36 0.2 . 1 . . . . 322 LYS CB . 11522 1 928 . 1 1 211 211 LYS N N 15 121.683 0.1 . 1 . . . . 322 LYS N . 11522 1 929 . 1 1 212 212 VAL H H 1 9.157 0.01 . 1 . . . . 323 VAL H . 11522 1 930 . 1 1 212 212 VAL C C 13 176.068 0.2 . 1 . . . . 323 VAL C . 11522 1 931 . 1 1 212 212 VAL CA C 13 58.108 0.2 . 1 . . . . 323 VAL CA . 11522 1 932 . 1 1 212 212 VAL CB C 13 36.593 0.2 . 1 . . . . 323 VAL CB . 11522 1 933 . 1 1 212 212 VAL N N 15 113.467 0.1 . 1 . . . . 323 VAL N . 11522 1 934 . 1 1 213 213 ARG H H 1 8.385 0.01 . 1 . . . . 324 ARG H . 11522 1 935 . 1 1 213 213 ARG C C 13 171.654 0.2 . 1 . . . . 324 ARG C . 11522 1 936 . 1 1 213 213 ARG CA C 13 54.243 0.2 . 1 . . . . 324 ARG CA . 11522 1 937 . 1 1 213 213 ARG CB C 13 33.957 0.2 . 1 . . . . 324 ARG CB . 11522 1 938 . 1 1 213 213 ARG N N 15 123.875 0.1 . 1 . . . . 324 ARG N . 11522 1 939 . 1 1 214 214 PRO C C 13 175.989 0.2 . 1 . . . . 325 PRO C . 11522 1 940 . 1 1 214 214 PRO CA C 13 63.248 0.2 . 1 . . . . 325 PRO CA . 11522 1 941 . 1 1 214 214 PRO CB C 13 31.282 0.2 . 1 . . . . 325 PRO CB . 11522 1 942 . 1 1 215 215 ALA H H 1 8.549 0.01 . 1 . . . . 326 ALA H . 11522 1 943 . 1 1 215 215 ALA C C 13 177.037 0.2 . 1 . . . . 326 ALA C . 11522 1 944 . 1 1 215 215 ALA CA C 13 51.522 0.2 . 1 . . . . 326 ALA CA . 11522 1 945 . 1 1 215 215 ALA CB C 13 19.628 0.2 . 1 . . . . 326 ALA CB . 11522 1 946 . 1 1 215 215 ALA N N 15 126.756 0.1 . 1 . . . . 326 ALA N . 11522 1 947 . 1 1 216 216 PHE H H 1 8.375 0.01 . 1 . . . . 327 PHE H . 11522 1 948 . 1 1 216 216 PHE C C 13 175.357 0.2 . 1 . . . . 327 PHE C . 11522 1 949 . 1 1 216 216 PHE CA C 13 57.313 0.2 . 1 . . . . 327 PHE CA . 11522 1 950 . 1 1 216 216 PHE CB C 13 38.875 0.2 . 1 . . . . 327 PHE CB . 11522 1 951 . 1 1 216 216 PHE N N 15 121.636 0.1 . 1 . . . . 327 PHE N . 11522 1 952 . 1 1 217 217 LEU H H 1 8.103 0.01 . 1 . . . . 328 LEU H . 11522 1 953 . 1 1 217 217 LEU C C 13 176.493 0.2 . 1 . . . . 328 LEU C . 11522 1 954 . 1 1 217 217 LEU CA C 13 54.546 0.2 . 1 . . . . 328 LEU CA . 11522 1 955 . 1 1 217 217 LEU CB C 13 41.808 0.2 . 1 . . . . 328 LEU CB . 11522 1 956 . 1 1 217 217 LEU N N 15 126.173 0.1 . 1 . . . . 328 LEU N . 11522 1 957 . 1 1 218 218 GLU H H 1 8.234 0.01 . 1 . . . . 329 GLU H . 11522 1 958 . 1 1 218 218 GLU C C 13 176.177 0.2 . 1 . . . . 329 GLU C . 11522 1 959 . 1 1 218 218 GLU CA C 13 56.239 0.2 . 1 . . . . 329 GLU CA . 11522 1 960 . 1 1 218 218 GLU CB C 13 29.681 0.2 . 1 . . . . 329 GLU CB . 11522 1 961 . 1 1 218 218 GLU N N 15 123.155 0.1 . 1 . . . . 329 GLU N . 11522 1 962 . 1 1 219 219 GLN H H 1 8.332 0.01 . 1 . . . . 330 GLN H . 11522 1 963 . 1 1 219 219 GLN C C 13 175.653 0.2 . 1 . . . . 330 GLN C . 11522 1 964 . 1 1 219 219 GLN CA C 13 55.485 0.2 . 1 . . . . 330 GLN CA . 11522 1 965 . 1 1 219 219 GLN CB C 13 29.182 0.2 . 1 . . . . 330 GLN CB . 11522 1 966 . 1 1 219 219 GLN N N 15 122.749 0.1 . 1 . . . . 330 GLN N . 11522 1 967 . 1 1 220 220 LYS H H 1 8.334 0.01 . 9 . . . . 331 LYS H . 11522 1 968 . 1 1 220 220 LYS C C 13 176.209 0.2 . 9 . . . . 331 LYS C . 11522 1 969 . 1 1 220 220 LYS CA C 13 55.847 0.2 . 9 . . . . 331 LYS CA . 11522 1 970 . 1 1 220 220 LYS CB C 13 32.225 0.2 . 9 . . . . 331 LYS CB . 11522 1 971 . 1 1 220 220 LYS N N 15 123.878 0.1 . 9 . . . . 331 LYS N . 11522 1 972 . 1 1 221 221 LEU H H 1 8.384 0.01 . 9 . . . . 332 LEU H . 11522 1 973 . 1 1 221 221 LEU C C 13 177.177 0.2 . 9 . . . . 332 LEU C . 11522 1 974 . 1 1 221 221 LEU CA C 13 54.917 0.2 . 9 . . . . 332 LEU CA . 11522 1 975 . 1 1 221 221 LEU CB C 13 41.496 0.2 . 9 . . . . 332 LEU CB . 11522 1 976 . 1 1 221 221 LEU N N 15 125.315 0.1 . 9 . . . . 332 LEU N . 11522 1 977 . 1 1 222 222 ILE H H 1 8.103 0.01 . 9 . . . . 333 ILE H . 11522 1 978 . 1 1 222 222 ILE C C 13 176.11 0.2 . 9 . . . . 333 ILE C . 11522 1 979 . 1 1 222 222 ILE CA C 13 60.823 0.2 . 9 . . . . 333 ILE CA . 11522 1 980 . 1 1 222 222 ILE CB C 13 38.283 0.2 . 9 . . . . 333 ILE CB . 11522 1 981 . 1 1 222 222 ILE N N 15 122.964 0.1 . 9 . . . . 333 ILE N . 11522 1 982 . 1 1 223 223 SER H H 1 8.38 0.01 . 9 . . . . 334 SER H . 11522 1 983 . 1 1 223 223 SER C C 13 174.712 0.2 . 9 . . . . 334 SER C . 11522 1 984 . 1 1 223 223 SER CA C 13 57.871 0.2 . 9 . . . . 334 SER CA . 11522 1 985 . 1 1 223 223 SER CB C 13 63.667 0.2 . 9 . . . . 334 SER CB . 11522 1 986 . 1 1 223 223 SER N N 15 120.668 0.1 . 9 . . . . 334 SER N . 11522 1 987 . 1 1 224 224 GLU H H 1 8.515 0.01 . 1 . . . . 335 GLU H . 11522 1 988 . 1 1 224 224 GLU C C 13 176.794 0.2 . 1 . . . . 335 GLU C . 11522 1 989 . 1 1 224 224 GLU CA C 13 56.982 0.2 . 1 . . . . 335 GLU CA . 11522 1 990 . 1 1 224 224 GLU CB C 13 29.561 0.2 . 1 . . . . 335 GLU CB . 11522 1 991 . 1 1 224 224 GLU N N 15 123.932 0.1 . 1 . . . . 335 GLU N . 11522 1 992 . 1 1 225 225 GLU H H 1 8.332 0.01 . 1 . . . . 336 GLU H . 11522 1 993 . 1 1 225 225 GLU C C 13 176.229 0.2 . 1 . . . . 336 GLU C . 11522 1 994 . 1 1 225 225 GLU CA C 13 56.721 0.2 . 1 . . . . 336 GLU CA . 11522 1 995 . 1 1 225 225 GLU CB C 13 29.735 0.2 . 1 . . . . 336 GLU CB . 11522 1 996 . 1 1 225 225 GLU N N 15 121.196 0.1 . 1 . . . . 336 GLU N . 11522 1 997 . 1 1 226 226 ASP H H 1 8.212 0.01 . 1 . . . . 337 ASP H . 11522 1 998 . 1 1 226 226 ASP C C 13 176.109 0.2 . 1 . . . . 337 ASP C . 11522 1 999 . 1 1 226 226 ASP CA C 13 54.268 0.2 . 1 . . . . 337 ASP CA . 11522 1 1000 . 1 1 226 226 ASP CB C 13 40.768 0.2 . 1 . . . . 337 ASP CB . 11522 1 1001 . 1 1 226 226 ASP N N 15 121.662 0.1 . 1 . . . . 337 ASP N . 11522 1 1002 . 1 1 227 227 LEU H H 1 8.032 0.01 . 1 . . . . 338 LEU H . 11522 1 1003 . 1 1 227 227 LEU C C 13 177.873 0.2 . 1 . . . . 338 LEU C . 11522 1 1004 . 1 1 227 227 LEU CA C 13 55.755 0.2 . 1 . . . . 338 LEU CA . 11522 1 1005 . 1 1 227 227 LEU CB C 13 41.377 0.2 . 1 . . . . 338 LEU CB . 11522 1 1006 . 1 1 227 227 LEU N N 15 123.396 0.1 . 1 . . . . 338 LEU N . 11522 1 1007 . 1 1 228 228 ASN H H 1 8.31 0.01 . 1 . . . . 339 ASN H . 11522 1 1008 . 1 1 228 228 ASN C C 13 175.613 0.2 . 1 . . . . 339 ASN C . 11522 1 1009 . 1 1 228 228 ASN CA C 13 53.595 0.2 . 1 . . . . 339 ASN CA . 11522 1 1010 . 1 1 228 228 ASN CB C 13 38.594 0.2 . 1 . . . . 339 ASN CB . 11522 1 1011 . 1 1 228 228 ASN N N 15 118.84 0.1 . 1 . . . . 339 ASN N . 11522 1 1012 . 1 1 229 229 SER H H 1 8.028 0.01 . 1 . . . . 340 SER H . 11522 1 1013 . 1 1 229 229 SER C C 13 174.437 0.2 . 1 . . . . 340 SER C . 11522 1 1014 . 1 1 229 229 SER CA C 13 58.593 0.2 . 1 . . . . 340 SER CA . 11522 1 1015 . 1 1 229 229 SER CB C 13 63.359 0.2 . 1 . . . . 340 SER CB . 11522 1 1016 . 1 1 229 229 SER N N 15 116.417 0.1 . 1 . . . . 340 SER N . 11522 1 1017 . 1 1 230 230 ALA H H 1 8.139 0.01 . 9 . . . . 341 ALA H . 11522 1 1018 . 1 1 230 230 ALA C C 13 177.854 0.2 . 9 . . . . 341 ALA C . 11522 1 1019 . 1 1 230 230 ALA CA C 13 52.49 0.2 . 9 . . . . 341 ALA CA . 11522 1 1020 . 1 1 230 230 ALA CB C 13 18.611 0.2 . 9 . . . . 341 ALA CB . 11522 1 1021 . 1 1 230 230 ALA N N 15 126.185 0.1 . 9 . . . . 341 ALA N . 11522 1 1022 . 1 1 231 231 VAL H H 1 7.856 0.01 . 9 . . . . 342 VAL H . 11522 1 1023 . 1 1 231 231 VAL C C 13 175.754 0.2 . 9 . . . . 342 VAL C . 11522 1 1024 . 1 1 231 231 VAL CA C 13 62.084 0.2 . 9 . . . . 342 VAL CA . 11522 1 1025 . 1 1 231 231 VAL CB C 13 32.054 0.2 . 9 . . . . 342 VAL CB . 11522 1 1026 . 1 1 231 231 VAL N N 15 118.869 0.1 . 9 . . . . 342 VAL N . 11522 1 1027 . 1 1 232 232 ASP H H 1 8.158 0.01 . 9 . . . . 343 ASP H . 11522 1 1028 . 1 1 232 232 ASP CA C 13 53.793 0.2 . 9 . . . . 343 ASP CA . 11522 1 1029 . 1 1 232 232 ASP CB C 13 40.885 0.2 . 9 . . . . 343 ASP CB . 11522 1 1030 . 1 1 232 232 ASP N N 15 123.949 0.1 . 9 . . . . 343 ASP N . 11522 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' 1 $sample_1 isotropic 11522 1 2 '3D TROSY HNCACB' 1 $sample_1 isotropic 11522 1 3 '3D TROSY HN(COCA)CB' 1 $sample_1 isotropic 11522 1 4 '3D TROSY HNCA' 1 $sample_1 isotropic 11522 1 5 '3D TROSY HN(CO)CA' 1 $sample_1 isotropic 11522 1 6 '3D TROSY HNCO' 1 $sample_1 isotropic 11522 1 7 '3D TROSY HN(CA)CO' 1 $sample_1 isotropic 11522 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 11522 1 'TROSY effect' 'all 1H' . . . 11522 1 'TROSY effect' 'all 15N' . . . 11522 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 1 220 220 LYS C C 13 176.237 0.2 . 9 . . . . 331a LYS C . 11522 2 2 . 1 1 220 220 LYS CA C 13 55.925 0.2 . 9 . . . . 331a LYS CA . 11522 2 3 . 1 1 220 220 LYS CB C 13 32.201 0.2 . 9 . . . . 331a LYS CB . 11522 2 4 . 1 1 221 221 LEU H H 1 8.295 0.01 . 9 . . . . 332a LEU H . 11522 2 5 . 1 1 221 221 LEU C C 13 177.196 0.2 . 9 . . . . 332a LEU C . 11522 2 6 . 1 1 221 221 LEU CA C 13 54.917 0.2 . 9 . . . . 332a LEU CA . 11522 2 7 . 1 1 221 221 LEU CB C 13 41.551 0.2 . 9 . . . . 332a LEU CB . 11522 2 8 . 1 1 221 221 LEU N N 15 124.736 0.1 . 9 . . . . 332a LEU N . 11522 2 9 . 1 1 222 222 ILE H H 1 8.153 0.01 . 9 . . . . 333a ILE H . 11522 2 10 . 1 1 222 222 ILE C C 13 176.097 0.2 . 9 . . . . 333a ILE C . 11522 2 11 . 1 1 222 222 ILE CA C 13 60.736 0.2 . 9 . . . . 333a ILE CA . 11522 2 12 . 1 1 222 222 ILE CB C 13 38.222 0.2 . 9 . . . . 333a ILE CB . 11522 2 13 . 1 1 222 222 ILE N N 15 123.157 0.1 . 9 . . . . 333a ILE N . 11522 2 14 . 1 1 223 223 SER H H 1 8.426 0.01 . 9 . . . . 334a SER H . 11522 2 15 . 1 1 223 223 SER CA C 13 57.786 0.2 . 9 . . . . 334a SER CA . 11522 2 16 . 1 1 223 223 SER CB C 13 63.714 0.2 . 9 . . . . 334a SER CB . 11522 2 17 . 1 1 223 223 SER N N 15 120.885 0.1 . 9 . . . . 334a SER N . 11522 2 18 . 1 1 230 230 ALA C C 13 177.853 0.2 . 9 . . . . 341a ALA C . 11522 2 19 . 1 1 230 230 ALA CA C 13 52.56 0.2 . 9 . . . . 341a ALA CA . 11522 2 20 . 1 1 230 230 ALA CB C 13 18.741 0.2 . 9 . . . . 341a ALA CB . 11522 2 21 . 1 1 231 231 VAL H H 1 8.036 0.01 . 9 . . . . 342a VAL H . 11522 2 22 . 1 1 231 231 VAL C C 13 175.775 0.2 . 9 . . . . 342a VAL C . 11522 2 23 . 1 1 231 231 VAL CA C 13 62.105 0.2 . 9 . . . . 342a VAL CA . 11522 2 24 . 1 1 231 231 VAL CB C 13 32.096 0.2 . 9 . . . . 342a VAL CB . 11522 2 25 . 1 1 231 231 VAL N N 15 118.858 0.1 . 9 . . . . 342a VAL N . 11522 2 26 . 1 1 232 232 ASP H H 1 8.198 0.01 . 9 . . . . 343a ASP H . 11522 2 27 . 1 1 232 232 ASP CA C 13 53.798 0.2 . 9 . . . . 343a ASP CA . 11522 2 28 . 1 1 232 232 ASP N N 15 123.529 0.1 . 9 . . . . 343a ASP N . 11522 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 11522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' 1 $sample_1 isotropic 11522 1 2 '3D TROSY HNCACB' 1 $sample_1 isotropic 11522 1 3 '3D TROSY HN(COCA)CB' 1 $sample_1 isotropic 11522 1 4 '3D TROSY HNCA' 1 $sample_1 isotropic 11522 1 5 '3D TROSY HN(CO)CA' 1 $sample_1 isotropic 11522 1 6 '3D TROSY HNCO' 1 $sample_1 isotropic 11522 1 7 '3D TROSY HN(CA)CO' 1 $sample_1 isotropic 11522 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 11522 1 'TROSY effect' 'all 1H' . . . 11522 1 'TROSY effect' 'all 15N' . . . 11522 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 1 230 230 ALA C C 13 177.765 0.2 . 9 . . . . 341b ALA C . 11522 3 2 . 1 1 230 230 ALA CA C 13 52.338 0.2 . 9 . . . . 341b ALA CA . 11522 3 3 . 1 1 230 230 ALA CB C 13 18.719 0.2 . 9 . . . . 341b ALA CB . 11522 3 4 . 1 1 231 231 VAL H H 1 7.913 0.01 . 9 . . . . 342b VAL H . 11522 3 5 . 1 1 231 231 VAL C C 13 175.772 0.2 . 9 . . . . 342b VAL C . 11522 3 6 . 1 1 231 231 VAL CA C 13 61.902 0.2 . 9 . . . . 342b VAL CA . 11522 3 7 . 1 1 231 231 VAL CB C 13 32.337 0.2 . 9 . . . . 342b VAL CB . 11522 3 8 . 1 1 231 231 VAL N N 15 118.772 0.1 . 9 . . . . 342b VAL N . 11522 3 stop_ save_