data_5209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5209 _Entry.Title ; 1H, 13C and 15N resonance assignments for the perdeuterated 22 kD palm-thumb domain of DNA polymerase B in complex with the XRCC1 N-terminal domain ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-11-14 _Entry.Accession_date 2001-11-14 _Entry.Last_release_date 2005-06-02 _Entry.Original_release_date 2005-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Gryk . R. . 5209 2 Assen Marintchev . . . 5209 3 Mark Maciejewski . W. . 5209 4 Anthony Robertson . . . 5209 5 Mary Mullen . A. . 5209 6 Samuel Wilson . H. . 5209 7 Gregory Mullen . P. . 5209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 332 5209 '13C chemical shifts' 505 5209 '15N chemical shifts' 164 5209 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-06-02 2001-11-14 original author . 5209 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5209 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12467578 _Citation.Full_citation . _Citation.Title 'Mapping of the interaction interface of DNA polymerase beta with XRCC1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 12 _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 1709 _Citation.Page_last 1720 _Citation.Year 2002 _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 Michael Gryk . R. . 5209 1 2 Assen Marintchev . . . 5209 1 3 Mark Maciejewski . W. . 5209 1 4 Anthony Robertson . . . 5209 1 5 Samuel Wilson . H. . 5209 1 6 Gregory Mullen . P. . 5209 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Rattus norvegicus' 5209 1 'DNA polymerase B' 5209 1 TROSY 5209 1 deuteration 5209 1 'DNA repair' 5209 1 XRCC1-NTD 5209 1 'X-ray cross-complementing group 1' 5209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_B-pol _Assembly.Sf_category assembly _Assembly.Sf_framecode system_B-pol _Assembly.Entry_ID 5209 _Assembly.ID 1 _Assembly.Name 'Palm-Thumb Domain of DNA Polymerase B in complex with XRCC1-NTD' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.7.7 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5209 1 stop_ 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 'B-Pol palm-thumb' 1 $B-Pol . . . native . . . . . 5209 1 2 XRCC1-NTD 2 $XRCC1-NTD . . . native . . . . . 5209 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1BPB . . . . . ; The crystal structure is of the 31 kD, 'fingers-palm-thumb' domain ; 5209 1 . PDB 1BPD . . . . . ; The crystal structure is of the full length polymerase ; 5209 1 . PDB 1BPE . . . . . ; The crystal structure is of the full length polymerase complexed with Deoxy-ATP ; 5209 1 . PDB 1BPX . . . . . ; The crystal structure is of HUMAN polymerase in complex with gapped DNA ; 5209 1 . PDB 1BNP . . . . . ; The solution structures are of the N-terminal 8 kD domain of polymerase b ; 5209 1 . PDB 1XNT . . . . . ; The NMR solutions structures are of the XRCC1 N-Terminal domain ; 5209 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Palm-Thumb Domain of DNA Polymerase B in complex with XRCC1-NTD' system 5209 1 B-pol abbreviation 5209 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA polmerization (C-terminal domain)' 5209 1 'DNA binding (N-terminal domain)' 5209 1 'deoxyribose 5'-phosphate excision at incised abasic sites (N-terminal domain)' 5209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B-Pol _Entity.Sf_category entity _Entity.Sf_framecode B-Pol _Entity.Entry_ID 5209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA Polymerase B' _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 ; MGKRIPREEMLQMQDIVLNE VKKLDPEYIATVCGSFRRGA ESSGDMDVLLTHPNFTSESS KQPKLLHRVVEQLQKVRFIT DTLSKGETKFMGVCQLPSEN DENEYPHRRIDIRLIPKDQY YCGVLYFTGSDIFNKNMRAH ALEKGFTINEYTIRPLGVTG VAGEPLPVDSEQDIFDYIQW RYREPKDRSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22022 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'First 3 residues: MGK are not native to full length B-Pol.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4282 . XRCC1_NTD . . . . . 100.00 183 100.00 100.00 1.94e-111 . . . . 5209 1 2 no PDB 1XNA . "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . . . . . 99.36 183 100.00 100.00 1.84e-110 . . . . 5209 1 3 no PDB 1XNT . "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" . . . . . 99.36 183 100.00 100.00 1.84e-110 . . . . 5209 1 4 no PDB 3K75 . "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" . . . . . 100.00 189 100.00 100.00 4.35e-111 . . . . 5209 1 5 no PDB 3K77 . "X-Ray Crystal Structure Of Xrcc1" . . . . . 98.73 161 100.00 100.00 2.74e-109 . . . . 5209 1 6 no PDB 3LQC . "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" . . . . . 100.00 189 100.00 100.00 4.35e-111 . . . . 5209 1 7 no DBJ BAD92018 . "X-ray repair cross complementing protein 1 variant [Homo sapiens]" . . . . . 100.00 647 100.00 100.00 1.25e-105 . . . . 5209 1 8 no DBJ BAG10574 . "DNA-repair protein XRCC1 [synthetic construct]" . . . . . 100.00 633 100.00 100.00 6.36e-106 . . . . 5209 1 9 no DBJ BAG37732 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 5.96e-106 . . . . 5209 1 10 no DBJ BAG57023 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 1.26e-109 . . . . 5209 1 11 no EMBL CAG33009 . "XRCC1 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 6.36e-106 . . . . 5209 1 12 no GB AAA63270 . "DNA-repair protein [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 7.15e-106 . . . . 5209 1 13 no GB AAH23593 . "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 6.36e-106 . . . . 5209 1 14 no GB AAM34791 . "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 7.15e-106 . . . . 5209 1 15 no GB EAW57201 . "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_a [Homo sapiens]" . . . . . 100.00 236 100.00 100.00 4.12e-110 . . . . 5209 1 16 no GB EAW57202 . "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_b [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 7.15e-106 . . . . 5209 1 17 no REF NP_006288 . "DNA repair protein XRCC1 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 6.36e-106 . . . . 5209 1 18 no REF XP_001100256 . "PREDICTED: DNA repair protein XRCC1 [Macaca mulatta]" . . . . . 100.00 617 99.36 99.36 1.53e-105 . . . . 5209 1 19 no REF XP_001499917 . "PREDICTED: DNA repair protein XRCC1 [Equus caballus]" . . . . . 100.00 630 98.09 100.00 3.06e-104 . . . . 5209 1 20 no REF XP_002829368 . "PREDICTED: DNA repair protein XRCC1 [Pongo abelii]" . . . . . 100.00 633 99.36 99.36 2.35e-105 . . . . 5209 1 21 no REF XP_002923977 . "PREDICTED: DNA repair protein XRCC1-like [Ailuropoda melanoleuca]" . . . . . 100.00 630 97.45 100.00 7.45e-104 . . . . 5209 1 22 no SP P18887 . "RecName: Full=DNA repair protein XRCC1; AltName: Full=X-ray repair cross-complementing protein 1 [Homo sapiens]" . . . . . 100.00 633 100.00 100.00 7.08e-106 . . . . 5209 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA Polymerase B' common 5209 1 B-Pol abbreviation 5209 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 -3 MET . 5209 1 2 -2 GLY . 5209 1 3 -1 LYS . 5209 1 4 149 ARG . 5209 1 5 150 ILE . 5209 1 6 151 PRO . 5209 1 7 152 ARG . 5209 1 8 153 GLU . 5209 1 9 154 GLU . 5209 1 10 155 MET . 5209 1 11 156 LEU . 5209 1 12 157 GLN . 5209 1 13 158 MET . 5209 1 14 159 GLN . 5209 1 15 160 ASP . 5209 1 16 161 ILE . 5209 1 17 162 VAL . 5209 1 18 163 LEU . 5209 1 19 164 ASN . 5209 1 20 165 GLU . 5209 1 21 166 VAL . 5209 1 22 167 LYS . 5209 1 23 168 LYS . 5209 1 24 169 LEU . 5209 1 25 170 ASP . 5209 1 26 171 PRO . 5209 1 27 172 GLU . 5209 1 28 173 TYR . 5209 1 29 174 ILE . 5209 1 30 175 ALA . 5209 1 31 176 THR . 5209 1 32 177 VAL . 5209 1 33 178 CYS . 5209 1 34 179 GLY . 5209 1 35 180 SER . 5209 1 36 181 PHE . 5209 1 37 182 ARG . 5209 1 38 183 ARG . 5209 1 39 184 GLY . 5209 1 40 185 ALA . 5209 1 41 186 GLU . 5209 1 42 187 SER . 5209 1 43 188 SER . 5209 1 44 189 GLY . 5209 1 45 190 ASP . 5209 1 46 191 MET . 5209 1 47 192 ASP . 5209 1 48 193 VAL . 5209 1 49 194 LEU . 5209 1 50 195 LEU . 5209 1 51 196 THR . 5209 1 52 197 HIS . 5209 1 53 198 PRO . 5209 1 54 199 ASN . 5209 1 55 200 PHE . 5209 1 56 201 THR . 5209 1 57 202 SER . 5209 1 58 203 GLU . 5209 1 59 204 SER . 5209 1 60 205 SER . 5209 1 61 206 LYS . 5209 1 62 207 GLN . 5209 1 63 208 PRO . 5209 1 64 209 LYS . 5209 1 65 210 LEU . 5209 1 66 211 LEU . 5209 1 67 212 HIS . 5209 1 68 213 ARG . 5209 1 69 214 VAL . 5209 1 70 215 VAL . 5209 1 71 216 GLU . 5209 1 72 217 GLN . 5209 1 73 218 LEU . 5209 1 74 219 GLN . 5209 1 75 220 LYS . 5209 1 76 221 VAL . 5209 1 77 222 ARG . 5209 1 78 223 PHE . 5209 1 79 224 ILE . 5209 1 80 225 THR . 5209 1 81 226 ASP . 5209 1 82 227 THR . 5209 1 83 228 LEU . 5209 1 84 229 SER . 5209 1 85 230 LYS . 5209 1 86 231 GLY . 5209 1 87 232 GLU . 5209 1 88 233 THR . 5209 1 89 234 LYS . 5209 1 90 235 PHE . 5209 1 91 236 MET . 5209 1 92 237 GLY . 5209 1 93 238 VAL . 5209 1 94 239 CYS . 5209 1 95 240 GLN . 5209 1 96 241 LEU . 5209 1 97 242 PRO . 5209 1 98 243 SER . 5209 1 99 244 GLU . 5209 1 100 245 ASN . 5209 1 101 246 ASP . 5209 1 102 247 GLU . 5209 1 103 248 ASN . 5209 1 104 249 GLU . 5209 1 105 250 TYR . 5209 1 106 251 PRO . 5209 1 107 252 HIS . 5209 1 108 253 ARG . 5209 1 109 254 ARG . 5209 1 110 255 ILE . 5209 1 111 256 ASP . 5209 1 112 257 ILE . 5209 1 113 258 ARG . 5209 1 114 259 LEU . 5209 1 115 260 ILE . 5209 1 116 261 PRO . 5209 1 117 262 LYS . 5209 1 118 263 ASP . 5209 1 119 264 GLN . 5209 1 120 265 TYR . 5209 1 121 266 TYR . 5209 1 122 267 CYS . 5209 1 123 268 GLY . 5209 1 124 269 VAL . 5209 1 125 270 LEU . 5209 1 126 271 TYR . 5209 1 127 272 PHE . 5209 1 128 273 THR . 5209 1 129 274 GLY . 5209 1 130 275 SER . 5209 1 131 276 ASP . 5209 1 132 277 ILE . 5209 1 133 278 PHE . 5209 1 134 279 ASN . 5209 1 135 280 LYS . 5209 1 136 281 ASN . 5209 1 137 282 MET . 5209 1 138 283 ARG . 5209 1 139 284 ALA . 5209 1 140 285 HIS . 5209 1 141 286 ALA . 5209 1 142 287 LEU . 5209 1 143 288 GLU . 5209 1 144 289 LYS . 5209 1 145 290 GLY . 5209 1 146 291 PHE . 5209 1 147 292 THR . 5209 1 148 293 ILE . 5209 1 149 294 ASN . 5209 1 150 295 GLU . 5209 1 151 296 TYR . 5209 1 152 297 THR . 5209 1 153 298 ILE . 5209 1 154 299 ARG . 5209 1 155 300 PRO . 5209 1 156 301 LEU . 5209 1 157 302 GLY . 5209 1 158 303 VAL . 5209 1 159 304 THR . 5209 1 160 305 GLY . 5209 1 161 306 VAL . 5209 1 162 307 ALA . 5209 1 163 308 GLY . 5209 1 164 309 GLU . 5209 1 165 310 PRO . 5209 1 166 311 LEU . 5209 1 167 312 PRO . 5209 1 168 313 VAL . 5209 1 169 314 ASP . 5209 1 170 315 SER . 5209 1 171 316 GLU . 5209 1 172 317 GLN . 5209 1 173 318 ASP . 5209 1 174 319 ILE . 5209 1 175 320 PHE . 5209 1 176 321 ASP . 5209 1 177 322 TYR . 5209 1 178 323 ILE . 5209 1 179 324 GLN . 5209 1 180 325 TRP . 5209 1 181 326 ARG . 5209 1 182 327 TYR . 5209 1 183 328 ARG . 5209 1 184 329 GLU . 5209 1 185 330 PRO . 5209 1 186 331 LYS . 5209 1 187 332 ASP . 5209 1 188 333 ARG . 5209 1 189 334 SER . 5209 1 190 335 GLU . 5209 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5209 1 . GLY 2 2 5209 1 . LYS 3 3 5209 1 . ARG 4 4 5209 1 . ILE 5 5 5209 1 . PRO 6 6 5209 1 . ARG 7 7 5209 1 . GLU 8 8 5209 1 . GLU 9 9 5209 1 . MET 10 10 5209 1 . LEU 11 11 5209 1 . GLN 12 12 5209 1 . MET 13 13 5209 1 . GLN 14 14 5209 1 . ASP 15 15 5209 1 . ILE 16 16 5209 1 . VAL 17 17 5209 1 . LEU 18 18 5209 1 . ASN 19 19 5209 1 . GLU 20 20 5209 1 . VAL 21 21 5209 1 . LYS 22 22 5209 1 . LYS 23 23 5209 1 . LEU 24 24 5209 1 . ASP 25 25 5209 1 . PRO 26 26 5209 1 . GLU 27 27 5209 1 . TYR 28 28 5209 1 . ILE 29 29 5209 1 . ALA 30 30 5209 1 . THR 31 31 5209 1 . VAL 32 32 5209 1 . CYS 33 33 5209 1 . GLY 34 34 5209 1 . SER 35 35 5209 1 . PHE 36 36 5209 1 . ARG 37 37 5209 1 . ARG 38 38 5209 1 . GLY 39 39 5209 1 . ALA 40 40 5209 1 . GLU 41 41 5209 1 . SER 42 42 5209 1 . SER 43 43 5209 1 . GLY 44 44 5209 1 . ASP 45 45 5209 1 . MET 46 46 5209 1 . ASP 47 47 5209 1 . VAL 48 48 5209 1 . LEU 49 49 5209 1 . LEU 50 50 5209 1 . THR 51 51 5209 1 . HIS 52 52 5209 1 . PRO 53 53 5209 1 . ASN 54 54 5209 1 . PHE 55 55 5209 1 . THR 56 56 5209 1 . SER 57 57 5209 1 . GLU 58 58 5209 1 . SER 59 59 5209 1 . SER 60 60 5209 1 . LYS 61 61 5209 1 . GLN 62 62 5209 1 . PRO 63 63 5209 1 . LYS 64 64 5209 1 . LEU 65 65 5209 1 . LEU 66 66 5209 1 . HIS 67 67 5209 1 . ARG 68 68 5209 1 . VAL 69 69 5209 1 . VAL 70 70 5209 1 . GLU 71 71 5209 1 . GLN 72 72 5209 1 . LEU 73 73 5209 1 . GLN 74 74 5209 1 . LYS 75 75 5209 1 . VAL 76 76 5209 1 . ARG 77 77 5209 1 . PHE 78 78 5209 1 . ILE 79 79 5209 1 . THR 80 80 5209 1 . ASP 81 81 5209 1 . THR 82 82 5209 1 . LEU 83 83 5209 1 . SER 84 84 5209 1 . LYS 85 85 5209 1 . GLY 86 86 5209 1 . GLU 87 87 5209 1 . THR 88 88 5209 1 . LYS 89 89 5209 1 . PHE 90 90 5209 1 . MET 91 91 5209 1 . GLY 92 92 5209 1 . VAL 93 93 5209 1 . CYS 94 94 5209 1 . GLN 95 95 5209 1 . LEU 96 96 5209 1 . PRO 97 97 5209 1 . SER 98 98 5209 1 . GLU 99 99 5209 1 . ASN 100 100 5209 1 . ASP 101 101 5209 1 . GLU 102 102 5209 1 . ASN 103 103 5209 1 . GLU 104 104 5209 1 . TYR 105 105 5209 1 . PRO 106 106 5209 1 . HIS 107 107 5209 1 . ARG 108 108 5209 1 . ARG 109 109 5209 1 . ILE 110 110 5209 1 . ASP 111 111 5209 1 . ILE 112 112 5209 1 . ARG 113 113 5209 1 . LEU 114 114 5209 1 . ILE 115 115 5209 1 . PRO 116 116 5209 1 . LYS 117 117 5209 1 . ASP 118 118 5209 1 . GLN 119 119 5209 1 . TYR 120 120 5209 1 . TYR 121 121 5209 1 . CYS 122 122 5209 1 . GLY 123 123 5209 1 . VAL 124 124 5209 1 . LEU 125 125 5209 1 . TYR 126 126 5209 1 . PHE 127 127 5209 1 . THR 128 128 5209 1 . GLY 129 129 5209 1 . SER 130 130 5209 1 . ASP 131 131 5209 1 . ILE 132 132 5209 1 . PHE 133 133 5209 1 . ASN 134 134 5209 1 . LYS 135 135 5209 1 . ASN 136 136 5209 1 . MET 137 137 5209 1 . ARG 138 138 5209 1 . ALA 139 139 5209 1 . HIS 140 140 5209 1 . ALA 141 141 5209 1 . LEU 142 142 5209 1 . GLU 143 143 5209 1 . LYS 144 144 5209 1 . GLY 145 145 5209 1 . PHE 146 146 5209 1 . THR 147 147 5209 1 . ILE 148 148 5209 1 . ASN 149 149 5209 1 . GLU 150 150 5209 1 . TYR 151 151 5209 1 . THR 152 152 5209 1 . ILE 153 153 5209 1 . ARG 154 154 5209 1 . PRO 155 155 5209 1 . LEU 156 156 5209 1 . GLY 157 157 5209 1 . VAL 158 158 5209 1 . THR 159 159 5209 1 . GLY 160 160 5209 1 . VAL 161 161 5209 1 . ALA 162 162 5209 1 . GLY 163 163 5209 1 . GLU 164 164 5209 1 . PRO 165 165 5209 1 . LEU 166 166 5209 1 . PRO 167 167 5209 1 . VAL 168 168 5209 1 . ASP 169 169 5209 1 . SER 170 170 5209 1 . GLU 171 171 5209 1 . GLN 172 172 5209 1 . ASP 173 173 5209 1 . ILE 174 174 5209 1 . PHE 175 175 5209 1 . ASP 176 176 5209 1 . TYR 177 177 5209 1 . ILE 178 178 5209 1 . GLN 179 179 5209 1 . TRP 180 180 5209 1 . ARG 181 181 5209 1 . TYR 182 182 5209 1 . ARG 183 183 5209 1 . GLU 184 184 5209 1 . PRO 185 185 5209 1 . LYS 186 186 5209 1 . ASP 187 187 5209 1 . ARG 188 188 5209 1 . SER 189 189 5209 1 . GLU 190 190 5209 1 stop_ save_ save_XRCC1-NTD _Entity.Sf_category entity _Entity.Sf_framecode XRCC1-NTD _Entity.Entry_ID 5209 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'XRCC1 N-terminal Domain' _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 ; MPEIRLRHVVSCSSQDSTHC AENLLKADTYRKWRAAKAGE KTISVVLQLEKEEQIHSVDI GNDGSAFVEVLVGSSAGGAG EQDYEVLLVTSSFMSPSESR SGSNPNRVRMFGPDKLVRAA AEKRWDRVKIVCSQPYSKDS PFGLSFVRFHSPPDKDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17358 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P18887 . 'DNA-repair protein XRCC1 (X-ray repair cross-complementing protein 1)' . . . . . 100.00 633 100.00 100.00 1.56e-88 . . . . 5209 2 . . REF XP_001499917 . 'PREDICTED: similar to DNA-repair protein XRCC1 (X-ray repair cross-complementing protein 1) [Equus caballus]' . . . . . 100.00 630 98.09 100.00 3.08e-87 . . . . 5209 2 . . REF XP_001100256 . 'PREDICTED: X-ray repair cross complementing protein 1 [Macaca mulatta]' . . . . . 100.00 645 99.36 99.36 1.05e-87 . . . . 5209 2 . . REF NP_006288 . 'X-ray repair cross complementing protein 1 [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.43e-88 . . . . 5209 2 . . GenBank EAW57202 . 'X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_b [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.56e-88 . . . . 5209 2 . . GenBank EAW57201 . 'X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_a [Homo sapiens]' . . . . . 100.00 236 100.00 100.00 8.23e-88 . . . . 5209 2 . . GenBank AAM34791 . 'X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.56e-88 . . . . 5209 2 . . GenBank AAH23593 . 'X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.43e-88 . . . . 5209 2 . . GenBank AAA63270 . 'DNA-repair protein' . . . . . 100.00 633 100.00 100.00 1.56e-88 . . . . 5209 2 . . EMBL CAG33009 . 'XRCC1 [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.43e-88 . . . . 5209 2 . . DBJ BAG57023 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 400 100.00 100.00 3.21e-89 . . . . 5209 2 . . DBJ BAG37732 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 633 100.00 100.00 1.36e-88 . . . . 5209 2 . . DBJ BAG10574 . 'DNA-repair protein XRCC1 [synthetic construct]' . . . . . 100.00 633 100.00 100.00 1.43e-88 . . . . 5209 2 . . DBJ BAD92018 . 'X-ray repair cross complementing protein 1 variant [Homo sapiens]' . . . . . 100.00 647 100.00 100.00 1.83e-88 . . . . 5209 2 . . PDB 1XNT . 'Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain' . . . . . 99.36 183 100.00 100.00 1.77e-87 . . . . 5209 2 . . PDB 1XNA . 'Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain' . . . . . 99.36 183 100.00 100.00 1.77e-87 . . . . 5209 2 . . BMRB 4282 . 'XRCC1 NTD' . . . . . 100.00 183 100.00 100.00 3.18e-88 . . . . 5209 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'XRCC1 N-terminal Domain' common 5209 2 XRCC1-NTD abbreviation 5209 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5209 2 2 . PRO . 5209 2 3 . GLU . 5209 2 4 . ILE . 5209 2 5 . ARG . 5209 2 6 . LEU . 5209 2 7 . ARG . 5209 2 8 . HIS . 5209 2 9 . VAL . 5209 2 10 . VAL . 5209 2 11 . SER . 5209 2 12 . CYS . 5209 2 13 . SER . 5209 2 14 . SER . 5209 2 15 . GLN . 5209 2 16 . ASP . 5209 2 17 . SER . 5209 2 18 . THR . 5209 2 19 . HIS . 5209 2 20 . CYS . 5209 2 21 . ALA . 5209 2 22 . GLU . 5209 2 23 . ASN . 5209 2 24 . LEU . 5209 2 25 . LEU . 5209 2 26 . LYS . 5209 2 27 . ALA . 5209 2 28 . ASP . 5209 2 29 . THR . 5209 2 30 . TYR . 5209 2 31 . ARG . 5209 2 32 . LYS . 5209 2 33 . TRP . 5209 2 34 . ARG . 5209 2 35 . ALA . 5209 2 36 . ALA . 5209 2 37 . LYS . 5209 2 38 . ALA . 5209 2 39 . GLY . 5209 2 40 . GLU . 5209 2 41 . LYS . 5209 2 42 . THR . 5209 2 43 . ILE . 5209 2 44 . SER . 5209 2 45 . VAL . 5209 2 46 . VAL . 5209 2 47 . LEU . 5209 2 48 . GLN . 5209 2 49 . LEU . 5209 2 50 . GLU . 5209 2 51 . LYS . 5209 2 52 . GLU . 5209 2 53 . GLU . 5209 2 54 . GLN . 5209 2 55 . ILE . 5209 2 56 . HIS . 5209 2 57 . SER . 5209 2 58 . VAL . 5209 2 59 . ASP . 5209 2 60 . ILE . 5209 2 61 . GLY . 5209 2 62 . ASN . 5209 2 63 . ASP . 5209 2 64 . GLY . 5209 2 65 . SER . 5209 2 66 . ALA . 5209 2 67 . PHE . 5209 2 68 . VAL . 5209 2 69 . GLU . 5209 2 70 . VAL . 5209 2 71 . LEU . 5209 2 72 . VAL . 5209 2 73 . GLY . 5209 2 74 . SER . 5209 2 75 . SER . 5209 2 76 . ALA . 5209 2 77 . GLY . 5209 2 78 . GLY . 5209 2 79 . ALA . 5209 2 80 . GLY . 5209 2 81 . GLU . 5209 2 82 . GLN . 5209 2 83 . ASP . 5209 2 84 . TYR . 5209 2 85 . GLU . 5209 2 86 . VAL . 5209 2 87 . LEU . 5209 2 88 . LEU . 5209 2 89 . VAL . 5209 2 90 . THR . 5209 2 91 . SER . 5209 2 92 . SER . 5209 2 93 . PHE . 5209 2 94 . MET . 5209 2 95 . SER . 5209 2 96 . PRO . 5209 2 97 . SER . 5209 2 98 . GLU . 5209 2 99 . SER . 5209 2 100 . ARG . 5209 2 101 . SER . 5209 2 102 . GLY . 5209 2 103 . SER . 5209 2 104 . ASN . 5209 2 105 . PRO . 5209 2 106 . ASN . 5209 2 107 . ARG . 5209 2 108 . VAL . 5209 2 109 . ARG . 5209 2 110 . MET . 5209 2 111 . PHE . 5209 2 112 . GLY . 5209 2 113 . PRO . 5209 2 114 . ASP . 5209 2 115 . LYS . 5209 2 116 . LEU . 5209 2 117 . VAL . 5209 2 118 . ARG . 5209 2 119 . ALA . 5209 2 120 . ALA . 5209 2 121 . ALA . 5209 2 122 . GLU . 5209 2 123 . LYS . 5209 2 124 . ARG . 5209 2 125 . TRP . 5209 2 126 . ASP . 5209 2 127 . ARG . 5209 2 128 . VAL . 5209 2 129 . LYS . 5209 2 130 . ILE . 5209 2 131 . VAL . 5209 2 132 . CYS . 5209 2 133 . SER . 5209 2 134 . GLN . 5209 2 135 . PRO . 5209 2 136 . TYR . 5209 2 137 . SER . 5209 2 138 . LYS . 5209 2 139 . ASP . 5209 2 140 . SER . 5209 2 141 . PRO . 5209 2 142 . PHE . 5209 2 143 . GLY . 5209 2 144 . LEU . 5209 2 145 . SER . 5209 2 146 . PHE . 5209 2 147 . VAL . 5209 2 148 . ARG . 5209 2 149 . PHE . 5209 2 150 . HIS . 5209 2 151 . SER . 5209 2 152 . PRO . 5209 2 153 . PRO . 5209 2 154 . ASP . 5209 2 155 . LYS . 5209 2 156 . ASP . 5209 2 157 . GLU . 5209 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5209 2 . PRO 2 2 5209 2 . GLU 3 3 5209 2 . ILE 4 4 5209 2 . ARG 5 5 5209 2 . LEU 6 6 5209 2 . ARG 7 7 5209 2 . HIS 8 8 5209 2 . VAL 9 9 5209 2 . VAL 10 10 5209 2 . SER 11 11 5209 2 . CYS 12 12 5209 2 . SER 13 13 5209 2 . SER 14 14 5209 2 . GLN 15 15 5209 2 . ASP 16 16 5209 2 . SER 17 17 5209 2 . THR 18 18 5209 2 . HIS 19 19 5209 2 . CYS 20 20 5209 2 . ALA 21 21 5209 2 . GLU 22 22 5209 2 . ASN 23 23 5209 2 . LEU 24 24 5209 2 . LEU 25 25 5209 2 . LYS 26 26 5209 2 . ALA 27 27 5209 2 . ASP 28 28 5209 2 . THR 29 29 5209 2 . TYR 30 30 5209 2 . ARG 31 31 5209 2 . LYS 32 32 5209 2 . TRP 33 33 5209 2 . ARG 34 34 5209 2 . ALA 35 35 5209 2 . ALA 36 36 5209 2 . LYS 37 37 5209 2 . ALA 38 38 5209 2 . GLY 39 39 5209 2 . GLU 40 40 5209 2 . LYS 41 41 5209 2 . THR 42 42 5209 2 . ILE 43 43 5209 2 . SER 44 44 5209 2 . VAL 45 45 5209 2 . VAL 46 46 5209 2 . LEU 47 47 5209 2 . GLN 48 48 5209 2 . LEU 49 49 5209 2 . GLU 50 50 5209 2 . LYS 51 51 5209 2 . GLU 52 52 5209 2 . GLU 53 53 5209 2 . GLN 54 54 5209 2 . ILE 55 55 5209 2 . HIS 56 56 5209 2 . SER 57 57 5209 2 . VAL 58 58 5209 2 . ASP 59 59 5209 2 . ILE 60 60 5209 2 . GLY 61 61 5209 2 . ASN 62 62 5209 2 . ASP 63 63 5209 2 . GLY 64 64 5209 2 . SER 65 65 5209 2 . ALA 66 66 5209 2 . PHE 67 67 5209 2 . VAL 68 68 5209 2 . GLU 69 69 5209 2 . VAL 70 70 5209 2 . LEU 71 71 5209 2 . VAL 72 72 5209 2 . GLY 73 73 5209 2 . SER 74 74 5209 2 . SER 75 75 5209 2 . ALA 76 76 5209 2 . GLY 77 77 5209 2 . GLY 78 78 5209 2 . ALA 79 79 5209 2 . GLY 80 80 5209 2 . GLU 81 81 5209 2 . GLN 82 82 5209 2 . ASP 83 83 5209 2 . TYR 84 84 5209 2 . GLU 85 85 5209 2 . VAL 86 86 5209 2 . LEU 87 87 5209 2 . LEU 88 88 5209 2 . VAL 89 89 5209 2 . THR 90 90 5209 2 . SER 91 91 5209 2 . SER 92 92 5209 2 . PHE 93 93 5209 2 . MET 94 94 5209 2 . SER 95 95 5209 2 . PRO 96 96 5209 2 . SER 97 97 5209 2 . GLU 98 98 5209 2 . SER 99 99 5209 2 . ARG 100 100 5209 2 . SER 101 101 5209 2 . GLY 102 102 5209 2 . SER 103 103 5209 2 . ASN 104 104 5209 2 . PRO 105 105 5209 2 . ASN 106 106 5209 2 . ARG 107 107 5209 2 . VAL 108 108 5209 2 . ARG 109 109 5209 2 . MET 110 110 5209 2 . PHE 111 111 5209 2 . GLY 112 112 5209 2 . PRO 113 113 5209 2 . ASP 114 114 5209 2 . LYS 115 115 5209 2 . LEU 116 116 5209 2 . VAL 117 117 5209 2 . ARG 118 118 5209 2 . ALA 119 119 5209 2 . ALA 120 120 5209 2 . ALA 121 121 5209 2 . GLU 122 122 5209 2 . LYS 123 123 5209 2 . ARG 124 124 5209 2 . TRP 125 125 5209 2 . ASP 126 126 5209 2 . ARG 127 127 5209 2 . VAL 128 128 5209 2 . LYS 129 129 5209 2 . ILE 130 130 5209 2 . VAL 131 131 5209 2 . CYS 132 132 5209 2 . SER 133 133 5209 2 . GLN 134 134 5209 2 . PRO 135 135 5209 2 . TYR 136 136 5209 2 . SER 137 137 5209 2 . LYS 138 138 5209 2 . ASP 139 139 5209 2 . SER 140 140 5209 2 . PRO 141 141 5209 2 . PHE 142 142 5209 2 . GLY 143 143 5209 2 . LEU 144 144 5209 2 . SER 145 145 5209 2 . PHE 146 146 5209 2 . VAL 147 147 5209 2 . ARG 148 148 5209 2 . PHE 149 149 5209 2 . HIS 150 150 5209 2 . SER 151 151 5209 2 . PRO 152 152 5209 2 . PRO 153 153 5209 2 . ASP 154 154 5209 2 . LYS 155 155 5209 2 . ASP 156 156 5209 2 . GLU 157 157 5209 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5209 _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 $B-Pol . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5209 1 2 2 $XRCC1-NTD . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5209 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 5209 _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 $B-Pol . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-28a(+) . . . . . . 5209 1 2 2 $XRCC1-NTD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-23a . . . . . . 5209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'AEBSF is 4-(2-aminoethyl)-benzenesulfonyl fluoride.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA Polymerase B' ; [U-98% 13C; U-99% 15N; U-97% 2H; except V g-methyls, L d-methyls, I d-methyl, and labile protons. ; . . 1 $B-Pol . . 700 500 900 uM . . . . 5209 1 2 'XRCC1 N-terminal Domain' . . . 2 $XRCC1-NTD . . 1.1 0.8 1.4 mM . . . . 5209 1 3 phosphate . . . . . . . 46 40 50 mM . . . . 5209 1 4 'sodium chloride' . . . . . . . 135 130 140 mM . . . . 5209 1 5 'sodium azide' . . . . . . . 0.002 0.0015 0.0025 % . . . . 5209 1 6 AEBSF . . . . . . . 100 95 105 uM . . . . 5209 1 7 'dithiothreitol (DTT)' . . . . . . . 5 4.5 5.5 mM . . . . 5209 1 8 H2O . . . . . . . 90 . . % . . . . 5209 1 9 D2O . . . . . . . 10 . . % . . . . 5209 1 stop_ save_ ####################### # Sample conditions # ####################### save_complex_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode complex_cond1 _Sample_condition_list.Entry_ID 5209 _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 pH 6.8 0.2 pH 5209 1 temperature 298 1 K 5209 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5209 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.8 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J. & Bax, A. (1995) J. Biomol NMR, 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5209 1 stop_ save_ save_sbtools _Software.Sf_category software _Software.Sf_framecode sbtools _Software.Entry_ID 5209 _Software.ID 2 _Software.Name sbtools _Software.Version . _Software.Details ; Web based program developed by Gryk, M.R. & Maciejewski, M.W. available from sbtools.uchc.edu. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing script generation' 5209 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5209 _Software.ID 3 _Software.Name XEASY _Software.Version 1.2 _Software.Details ; Bartels, C., Xia, T., Billeter, M., Guntert, P., and Wuthrich, K. (1995) J. Biomol. NMR, 6, 1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5209 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5209 _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 NMR_spectrometer Varian INOVA . 600 . . . 5209 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 5209 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TROSY 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 3 '2D CT 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 4 '3D TROSY HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 5 '3D TROSY HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 6 '3D (HM)CMC(CM)HM' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 7 '3D 15N,13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5209 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TROSY 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D CT 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D TROSY HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D TROSY HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D (HM)CMC(CM)HM' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5209 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N,13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5209 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5209 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5209 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5209 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_Shift_Set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Set_1 _Assigned_chem_shift_list.Entry_ID 5209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $complex_cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; Isotope induced shifts are uncorrected. No correction has been made for Bloch-Siegert effects. ; _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 $sample_1 . 5209 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 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 5209 1 2 . 1 1 4 4 ARG N N 15 120.43 0.14 . 1 . . . . . . . . 5209 1 3 . 1 1 4 4 ARG C C 13 175.52 0.06 . 1 . . . . . . . . 5209 1 4 . 1 1 4 4 ARG CA C 13 55.17 0.27 . 1 . . . . . . . . 5209 1 5 . 1 1 4 4 ARG CB C 13 30.23 0.27 . 1 . . . . . . . . 5209 1 6 . 1 1 5 5 ILE H H 1 9.45 0.01 . 1 . . . . . . . . 5209 1 7 . 1 1 5 5 ILE N N 15 122.97 0.14 . 1 . . . . . . . . 5209 1 8 . 1 1 5 5 ILE CA C 13 58.53 0.27 . 1 . . . . . . . . 5209 1 9 . 1 1 5 5 ILE CG1 C 13 25.86 0.02 . 1 . . . . . . . . 5209 1 10 . 1 1 5 5 ILE CD1 C 13 13.24 0.02 . 1 . . . . . . . . 5209 1 11 . 1 1 5 5 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 12 . 1 1 5 5 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 13 . 1 1 5 5 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 14 . 1 1 6 6 PRO C C 13 178.49 0.06 . 1 . . . . . . . . 5209 1 15 . 1 1 7 7 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 5209 1 16 . 1 1 7 7 ARG N N 15 125.55 0.14 . 1 . . . . . . . . 5209 1 17 . 1 1 7 7 ARG C C 13 177.43 0.06 . 1 . . . . . . . . 5209 1 18 . 1 1 7 7 ARG CA C 13 60.03 0.27 . 1 . . . . . . . . 5209 1 19 . 1 1 7 7 ARG CB C 13 28.63 0.27 . 1 . . . . . . . . 5209 1 20 . 1 1 8 8 GLU H H 1 9.44 0.01 . 1 . . . . . . . . 5209 1 21 . 1 1 8 8 GLU N N 15 115.52 0.14 . 1 . . . . . . . . 5209 1 22 . 1 1 8 8 GLU C C 13 179.81 0.06 . 1 . . . . . . . . 5209 1 23 . 1 1 9 9 GLU H H 1 7.23 0.01 . 1 . . . . . . . . 5209 1 24 . 1 1 9 9 GLU N N 15 118.67 0.14 . 1 . . . . . . . . 5209 1 25 . 1 1 9 9 GLU C C 13 178.78 0.06 . 1 . . . . . . . . 5209 1 26 . 1 1 9 9 GLU CA C 13 58.48 0.27 . 1 . . . . . . . . 5209 1 27 . 1 1 10 10 MET H H 1 7.89 0.01 . 1 . . . . . . . . 5209 1 28 . 1 1 10 10 MET N N 15 120.12 0.14 . 1 . . . . . . . . 5209 1 29 . 1 1 10 10 MET C C 13 179.23 0.06 . 1 . . . . . . . . 5209 1 30 . 1 1 10 10 MET CA C 13 56.67 0.27 . 1 . . . . . . . . 5209 1 31 . 1 1 11 11 LEU H H 1 8.87 0.01 . 1 . . . . . . . . 5209 1 32 . 1 1 11 11 LEU N N 15 119.04 0.14 . 1 . . . . . . . . 5209 1 33 . 1 1 11 11 LEU C C 13 179.81 0.06 . 1 . . . . . . . . 5209 1 34 . 1 1 11 11 LEU CA C 13 57.88 0.27 . 1 . . . . . . . . 5209 1 35 . 1 1 11 11 LEU CB C 13 40.95 0.27 . 1 . . . . . . . . 5209 1 36 . 1 1 11 11 LEU CG C 13 26.97 0.11 . 1 . . . . . . . . 5209 1 37 . 1 1 11 11 LEU CD1 C 13 25.83 0.02 . 2 . . . . . . . . 5209 1 38 . 1 1 11 11 LEU HD11 H 1 1 0.01 . 2 . . . . . . . . 5209 1 39 . 1 1 11 11 LEU HD12 H 1 1 0.01 . 2 . . . . . . . . 5209 1 40 . 1 1 11 11 LEU HD13 H 1 1 0.01 . 2 . . . . . . . . 5209 1 41 . 1 1 11 11 LEU CD2 C 13 23.22 0.02 . 2 . . . . . . . . 5209 1 42 . 1 1 11 11 LEU HD21 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 43 . 1 1 11 11 LEU HD22 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 44 . 1 1 11 11 LEU HD23 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 45 . 1 1 12 12 GLN H H 1 7.09 0.01 . 1 . . . . . . . . 5209 1 46 . 1 1 12 12 GLN N N 15 118.47 0.14 . 1 . . . . . . . . 5209 1 47 . 1 1 12 12 GLN C C 13 179.16 0.06 . 1 . . . . . . . . 5209 1 48 . 1 1 12 12 GLN CA C 13 58.39 0.27 . 1 . . . . . . . . 5209 1 49 . 1 1 12 12 GLN CB C 13 29.12 0.27 . 1 . . . . . . . . 5209 1 50 . 1 1 13 13 MET H H 1 8.40 0.01 . 1 . . . . . . . . 5209 1 51 . 1 1 13 13 MET N N 15 119.90 0.14 . 1 . . . . . . . . 5209 1 52 . 1 1 13 13 MET C C 13 176.93 0.06 . 1 . . . . . . . . 5209 1 53 . 1 1 13 13 MET CA C 13 58.71 0.27 . 1 . . . . . . . . 5209 1 54 . 1 1 13 13 MET CB C 13 33.81 0.27 . 1 . . . . . . . . 5209 1 55 . 1 1 14 14 GLN H H 1 8.91 0.01 . 1 . . . . . . . . 5209 1 56 . 1 1 14 14 GLN N N 15 118.38 0.14 . 1 . . . . . . . . 5209 1 57 . 1 1 14 14 GLN C C 13 176.11 0.06 . 1 . . . . . . . . 5209 1 58 . 1 1 14 14 GLN CA C 13 59.19 0.27 . 1 . . . . . . . . 5209 1 59 . 1 1 14 14 GLN CB C 13 28.58 0.27 . 1 . . . . . . . . 5209 1 60 . 1 1 15 15 ASP H H 1 7.59 0.01 . 1 . . . . . . . . 5209 1 61 . 1 1 15 15 ASP N N 15 117.85 0.14 . 1 . . . . . . . . 5209 1 62 . 1 1 15 15 ASP C C 13 178.19 0.06 . 1 . . . . . . . . 5209 1 63 . 1 1 15 15 ASP CA C 13 57.37 0.27 . 1 . . . . . . . . 5209 1 64 . 1 1 15 15 ASP CB C 13 40.00 0.27 . 1 . . . . . . . . 5209 1 65 . 1 1 16 16 ILE H H 1 7.17 0.01 . 1 . . . . . . . . 5209 1 66 . 1 1 16 16 ILE N N 15 118.41 0.14 . 1 . . . . . . . . 5209 1 67 . 1 1 16 16 ILE C C 13 177.67 0.06 . 1 . . . . . . . . 5209 1 68 . 1 1 16 16 ILE CA C 13 64.92 0.27 . 1 . . . . . . . . 5209 1 69 . 1 1 16 16 ILE CB C 13 37.33 0.27 . 1 . . . . . . . . 5209 1 70 . 1 1 16 16 ILE CG1 C 13 28.29 0.02 . 1 . . . . . . . . 5209 1 71 . 1 1 16 16 ILE CD1 C 13 14.2 0.02 . 1 . . . . . . . . 5209 1 72 . 1 1 16 16 ILE HD11 H 1 0.65 0.01 . 1 . . . . . . . . 5209 1 73 . 1 1 16 16 ILE HD12 H 1 0.65 0.01 . 1 . . . . . . . . 5209 1 74 . 1 1 16 16 ILE HD13 H 1 0.65 0.01 . 1 . . . . . . . . 5209 1 75 . 1 1 17 17 VAL H H 1 7.38 0.01 . 1 . . . . . . . . 5209 1 76 . 1 1 17 17 VAL N N 15 116.68 0.14 . 1 . . . . . . . . 5209 1 77 . 1 1 17 17 VAL C C 13 177.24 0.06 . 1 . . . . . . . . 5209 1 78 . 1 1 17 17 VAL CA C 13 66.54 0.27 . 1 . . . . . . . . 5209 1 79 . 1 1 17 17 VAL CB C 13 31.54 0.27 . 1 . . . . . . . . 5209 1 80 . 1 1 17 17 VAL CG1 C 13 20.42 0.02 . 2 . . . . . . . . 5209 1 81 . 1 1 17 17 VAL HG11 H 1 0.63 0.01 . 2 . . . . . . . . 5209 1 82 . 1 1 17 17 VAL HG12 H 1 0.63 0.01 . 2 . . . . . . . . 5209 1 83 . 1 1 17 17 VAL HG13 H 1 0.63 0.01 . 2 . . . . . . . . 5209 1 84 . 1 1 17 17 VAL CG2 C 13 23.78 0.02 . 2 . . . . . . . . 5209 1 85 . 1 1 17 17 VAL HG21 H 1 0.73 0.01 . 2 . . . . . . . . 5209 1 86 . 1 1 17 17 VAL HG22 H 1 0.73 0.01 . 2 . . . . . . . . 5209 1 87 . 1 1 17 17 VAL HG23 H 1 0.73 0.01 . 2 . . . . . . . . 5209 1 88 . 1 1 18 18 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 5209 1 89 . 1 1 18 18 LEU N N 15 116.23 0.14 . 1 . . . . . . . . 5209 1 90 . 1 1 18 18 LEU C C 13 180.44 0.06 . 1 . . . . . . . . 5209 1 91 . 1 1 18 18 LEU CA C 13 58.11 0.27 . 1 . . . . . . . . 5209 1 92 . 1 1 18 18 LEU CB C 13 39.32 0.27 . 1 . . . . . . . . 5209 1 93 . 1 1 18 18 LEU CG C 13 27.65 0.11 . 1 . . . . . . . . 5209 1 94 . 1 1 18 18 LEU CD1 C 13 24.51 0.02 . 2 . . . . . . . . 5209 1 95 . 1 1 18 18 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 5209 1 96 . 1 1 18 18 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 5209 1 97 . 1 1 18 18 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 5209 1 98 . 1 1 18 18 LEU CD2 C 13 22.8 0.02 . 2 . . . . . . . . 5209 1 99 . 1 1 18 18 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 5209 1 100 . 1 1 18 18 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 5209 1 101 . 1 1 18 18 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 5209 1 102 . 1 1 19 19 ASN H H 1 8.20 0.01 . 1 . . . . . . . . 5209 1 103 . 1 1 19 19 ASN N N 15 116.19 0.14 . 1 . . . . . . . . 5209 1 104 . 1 1 19 19 ASN C C 13 178.41 0.06 . 1 . . . . . . . . 5209 1 105 . 1 1 19 19 ASN CA C 13 55.78 0.27 . 1 . . . . . . . . 5209 1 106 . 1 1 19 19 ASN CB C 13 37.93 0.27 . 1 . . . . . . . . 5209 1 107 . 1 1 20 20 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5209 1 108 . 1 1 20 20 GLU N N 15 117.24 0.14 . 1 . . . . . . . . 5209 1 109 . 1 1 20 20 GLU C C 13 179.90 0.06 . 1 . . . . . . . . 5209 1 110 . 1 1 20 20 GLU CA C 13 58.14 0.27 . 1 . . . . . . . . 5209 1 111 . 1 1 20 20 GLU CB C 13 27.89 0.27 . 1 . . . . . . . . 5209 1 112 . 1 1 21 21 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 5209 1 113 . 1 1 21 21 VAL N N 15 117.82 0.14 . 1 . . . . . . . . 5209 1 114 . 1 1 21 21 VAL C C 13 176.67 0.06 . 1 . . . . . . . . 5209 1 115 . 1 1 21 21 VAL CA C 13 66.87 0.27 . 1 . . . . . . . . 5209 1 116 . 1 1 21 21 VAL CG1 C 13 22.43 0.02 . 2 . . . . . . . . 5209 1 117 . 1 1 21 21 VAL HG11 H 1 0.66 0.01 . 2 . . . . . . . . 5209 1 118 . 1 1 21 21 VAL HG12 H 1 0.66 0.01 . 2 . . . . . . . . 5209 1 119 . 1 1 21 21 VAL HG13 H 1 0.66 0.01 . 2 . . . . . . . . 5209 1 120 . 1 1 21 21 VAL CG2 C 13 23.64 0.02 . 2 . . . . . . . . 5209 1 121 . 1 1 21 21 VAL HG21 H 1 0.76 0.01 . 2 . . . . . . . . 5209 1 122 . 1 1 21 21 VAL HG22 H 1 0.76 0.01 . 2 . . . . . . . . 5209 1 123 . 1 1 21 21 VAL HG23 H 1 0.76 0.01 . 2 . . . . . . . . 5209 1 124 . 1 1 22 22 LYS H H 1 7.61 0.01 . 1 . . . . . . . . 5209 1 125 . 1 1 22 22 LYS N N 15 117.86 0.14 . 1 . . . . . . . . 5209 1 126 . 1 1 22 22 LYS C C 13 178.53 0.06 . 1 . . . . . . . . 5209 1 127 . 1 1 22 22 LYS CA C 13 58.22 0.27 . 1 . . . . . . . . 5209 1 128 . 1 1 22 22 LYS CB C 13 31.19 0.27 . 1 . . . . . . . . 5209 1 129 . 1 1 23 23 LYS H H 1 7.32 0.01 . 1 . . . . . . . . 5209 1 130 . 1 1 23 23 LYS N N 15 115.86 0.14 . 1 . . . . . . . . 5209 1 131 . 1 1 23 23 LYS C C 13 178.83 0.06 . 1 . . . . . . . . 5209 1 132 . 1 1 23 23 LYS CA C 13 58.15 0.27 . 1 . . . . . . . . 5209 1 133 . 1 1 23 23 LYS CB C 13 31.69 0.27 . 1 . . . . . . . . 5209 1 134 . 1 1 24 24 LEU H H 1 7.36 0.01 . 1 . . . . . . . . 5209 1 135 . 1 1 24 24 LEU N N 15 118.91 0.14 . 1 . . . . . . . . 5209 1 136 . 1 1 24 24 LEU C C 13 178.12 0.06 . 1 . . . . . . . . 5209 1 137 . 1 1 24 24 LEU CA C 13 56.82 0.27 . 1 . . . . . . . . 5209 1 138 . 1 1 24 24 LEU CG C 13 25.86 0.11 . 1 . . . . . . . . 5209 1 139 . 1 1 24 24 LEU CD1 C 13 23.5 0.02 . 2 . . . . . . . . 5209 1 140 . 1 1 24 24 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 5209 1 141 . 1 1 24 24 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 5209 1 142 . 1 1 24 24 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 5209 1 143 . 1 1 24 24 LEU CD2 C 13 26.11 0.02 . 2 . . . . . . . . 5209 1 144 . 1 1 24 24 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5209 1 145 . 1 1 24 24 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5209 1 146 . 1 1 24 24 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5209 1 147 . 1 1 25 25 ASP H H 1 7.81 0.01 . 1 . . . . . . . . 5209 1 148 . 1 1 25 25 ASP N N 15 114.73 0.14 . 1 . . . . . . . . 5209 1 149 . 1 1 25 25 ASP CA C 13 52.04 0.27 . 1 . . . . . . . . 5209 1 150 . 1 1 25 25 ASP CB C 13 42.13 0.27 . 1 . . . . . . . . 5209 1 151 . 1 1 26 26 PRO C C 13 177.06 0.06 . 1 . . . . . . . . 5209 1 152 . 1 1 27 27 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 5209 1 153 . 1 1 27 27 GLU N N 15 115.59 0.14 . 1 . . . . . . . . 5209 1 154 . 1 1 27 27 GLU C C 13 178.69 0.06 . 1 . . . . . . . . 5209 1 155 . 1 1 27 27 GLU CA C 13 56.00 0.27 . 1 . . . . . . . . 5209 1 156 . 1 1 27 27 GLU CB C 13 28.66 0.27 . 1 . . . . . . . . 5209 1 157 . 1 1 28 28 TYR H H 1 7.56 0.01 . 1 . . . . . . . . 5209 1 158 . 1 1 28 28 TYR N N 15 115.72 0.14 . 1 . . . . . . . . 5209 1 159 . 1 1 28 28 TYR C C 13 177.60 0.06 . 1 . . . . . . . . 5209 1 160 . 1 1 28 28 TYR CA C 13 59.90 0.27 . 1 . . . . . . . . 5209 1 161 . 1 1 28 28 TYR CB C 13 40.00 0.27 . 1 . . . . . . . . 5209 1 162 . 1 1 29 29 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 5209 1 163 . 1 1 29 29 ILE N N 15 119.71 0.14 . 1 . . . . . . . . 5209 1 164 . 1 1 29 29 ILE C C 13 174.06 0.06 . 1 . . . . . . . . 5209 1 165 . 1 1 29 29 ILE CA C 13 60.90 0.27 . 1 . . . . . . . . 5209 1 166 . 1 1 29 29 ILE CB C 13 39.10 0.27 . 1 . . . . . . . . 5209 1 167 . 1 1 29 29 ILE CG1 C 13 26.08 0.02 . 1 . . . . . . . . 5209 1 168 . 1 1 29 29 ILE CD1 C 13 13.47 0.02 . 1 . . . . . . . . 5209 1 169 . 1 1 29 29 ILE HD11 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 170 . 1 1 29 29 ILE HD12 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 171 . 1 1 29 29 ILE HD13 H 1 0.67 0.01 . 1 . . . . . . . . 5209 1 172 . 1 1 30 30 ALA H H 1 8.64 0.01 . 1 . . . . . . . . 5209 1 173 . 1 1 30 30 ALA N N 15 127.74 0.14 . 1 . . . . . . . . 5209 1 174 . 1 1 30 30 ALA C C 13 175.63 0.06 . 1 . . . . . . . . 5209 1 175 . 1 1 30 30 ALA CA C 13 49.50 0.27 . 1 . . . . . . . . 5209 1 176 . 1 1 30 30 ALA CB C 13 21.20 0.27 . 1 . . . . . . . . 5209 1 177 . 1 1 31 31 THR H H 1 8.50 0.01 . 1 . . . . . . . . 5209 1 178 . 1 1 31 31 THR N N 15 115.05 0.14 . 1 . . . . . . . . 5209 1 179 . 1 1 31 31 THR C C 13 173.47 0.06 . 1 . . . . . . . . 5209 1 180 . 1 1 31 31 THR CB C 13 71.31 0.27 . 1 . . . . . . . . 5209 1 181 . 1 1 32 32 VAL H H 1 9.67 0.01 . 1 . . . . . . . . 5209 1 182 . 1 1 32 32 VAL N N 15 130.66 0.14 . 1 . . . . . . . . 5209 1 183 . 1 1 32 32 VAL C C 13 176.75 0.06 . 1 . . . . . . . . 5209 1 184 . 1 1 32 32 VAL CA C 13 62.74 0.27 . 1 . . . . . . . . 5209 1 185 . 1 1 32 32 VAL CB C 13 30.54 0.27 . 1 . . . . . . . . 5209 1 186 . 1 1 32 32 VAL CG1 C 13 21.68 0.02 . 2 . . . . . . . . 5209 1 187 . 1 1 32 32 VAL HG11 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 188 . 1 1 32 32 VAL HG12 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 189 . 1 1 32 32 VAL HG13 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 190 . 1 1 32 32 VAL CG2 C 13 23.48 0.02 . 2 . . . . . . . . 5209 1 191 . 1 1 32 32 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 5209 1 192 . 1 1 32 32 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 5209 1 193 . 1 1 32 32 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 5209 1 194 . 1 1 33 33 CYS H H 1 8.72 0.01 . 1 . . . . . . . . 5209 1 195 . 1 1 33 33 CYS N N 15 125.13 0.14 . 1 . . . . . . . . 5209 1 196 . 1 1 33 33 CYS C C 13 173.39 0.06 . 1 . . . . . . . . 5209 1 197 . 1 1 33 33 CYS CA C 13 59.04 0.27 . 1 . . . . . . . . 5209 1 198 . 1 1 33 33 CYS CB C 13 26.49 0.27 . 1 . . . . . . . . 5209 1 199 . 1 1 34 34 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5209 1 200 . 1 1 34 34 GLY N N 15 109.13 0.14 . 1 . . . . . . . . 5209 1 201 . 1 1 34 34 GLY CA C 13 45.06 0.27 . 1 . . . . . . . . 5209 1 202 . 1 1 35 35 SER C C 13 177.54 0.06 . 1 . . . . . . . . 5209 1 203 . 1 1 36 36 PHE H H 1 8.69 0.01 . 1 . . . . . . . . 5209 1 204 . 1 1 36 36 PHE N N 15 123.33 0.14 . 1 . . . . . . . . 5209 1 205 . 1 1 36 36 PHE C C 13 179.63 0.06 . 1 . . . . . . . . 5209 1 206 . 1 1 36 36 PHE CA C 13 61.46 0.27 . 1 . . . . . . . . 5209 1 207 . 1 1 37 37 ARG H H 1 7.49 0.01 . 1 . . . . . . . . 5209 1 208 . 1 1 37 37 ARG N N 15 122.79 0.14 . 1 . . . . . . . . 5209 1 209 . 1 1 37 37 ARG C C 13 176.17 0.06 . 1 . . . . . . . . 5209 1 210 . 1 1 37 37 ARG CA C 13 58.32 0.27 . 1 . . . . . . . . 5209 1 211 . 1 1 37 37 ARG CB C 13 27.41 0.27 . 1 . . . . . . . . 5209 1 212 . 1 1 38 38 ARG H H 1 7.06 0.01 . 1 . . . . . . . . 5209 1 213 . 1 1 38 38 ARG N N 15 112.98 0.14 . 1 . . . . . . . . 5209 1 214 . 1 1 38 38 ARG C C 13 175.31 0.06 . 1 . . . . . . . . 5209 1 215 . 1 1 38 38 ARG CA C 13 55.53 0.27 . 1 . . . . . . . . 5209 1 216 . 1 1 38 38 ARG CB C 13 28.64 0.27 . 1 . . . . . . . . 5209 1 217 . 1 1 39 39 GLY H H 1 7.47 0.01 . 1 . . . . . . . . 5209 1 218 . 1 1 39 39 GLY N N 15 104.76 0.14 . 1 . . . . . . . . 5209 1 219 . 1 1 39 39 GLY C C 13 174.57 0.06 . 1 . . . . . . . . 5209 1 220 . 1 1 39 39 GLY CA C 13 44.57 0.27 . 1 . . . . . . . . 5209 1 221 . 1 1 40 40 ALA H H 1 7.49 0.01 . 1 . . . . . . . . 5209 1 222 . 1 1 40 40 ALA N N 15 121.34 0.14 . 1 . . . . . . . . 5209 1 223 . 1 1 40 40 ALA C C 13 179.03 0.06 . 1 . . . . . . . . 5209 1 224 . 1 1 40 40 ALA CA C 13 52.51 0.27 . 1 . . . . . . . . 5209 1 225 . 1 1 40 40 ALA CB C 13 19.96 0.27 . 1 . . . . . . . . 5209 1 226 . 1 1 41 41 GLU H H 1 9.01 0.01 . 1 . . . . . . . . 5209 1 227 . 1 1 41 41 GLU N N 15 120.53 0.14 . 1 . . . . . . . . 5209 1 228 . 1 1 41 41 GLU C C 13 175.87 0.06 . 1 . . . . . . . . 5209 1 229 . 1 1 42 42 SER H H 1 7.76 0.01 . 1 . . . . . . . . 5209 1 230 . 1 1 42 42 SER N N 15 113.12 0.14 . 1 . . . . . . . . 5209 1 231 . 1 1 42 42 SER C C 13 173.27 0.06 . 1 . . . . . . . . 5209 1 232 . 1 1 42 42 SER CA C 13 57.05 0.27 . 1 . . . . . . . . 5209 1 233 . 1 1 42 42 SER CB C 13 65.12 0.27 . 1 . . . . . . . . 5209 1 234 . 1 1 43 43 SER H H 1 8.98 0.01 . 1 . . . . . . . . 5209 1 235 . 1 1 43 43 SER N N 15 116.23 0.14 . 1 . . . . . . . . 5209 1 236 . 1 1 44 44 GLY C C 13 173.36 0.06 . 1 . . . . . . . . 5209 1 237 . 1 1 45 45 ASP H H 1 7.84 0.01 . 1 . . . . . . . . 5209 1 238 . 1 1 45 45 ASP N N 15 117.42 0.14 . 1 . . . . . . . . 5209 1 239 . 1 1 45 45 ASP C C 13 172.58 0.06 . 1 . . . . . . . . 5209 1 240 . 1 1 45 45 ASP CA C 13 52.51 0.27 . 1 . . . . . . . . 5209 1 241 . 1 1 45 45 ASP CB C 13 41.24 0.27 . 1 . . . . . . . . 5209 1 242 . 1 1 46 46 MET H H 1 8.11 0.01 . 1 . . . . . . . . 5209 1 243 . 1 1 46 46 MET N N 15 117.21 0.14 . 1 . . . . . . . . 5209 1 244 . 1 1 46 46 MET C C 13 172.84 0.06 . 1 . . . . . . . . 5209 1 245 . 1 1 46 46 MET CA C 13 54.70 0.27 . 1 . . . . . . . . 5209 1 246 . 1 1 46 46 MET CB C 13 33.83 0.27 . 1 . . . . . . . . 5209 1 247 . 1 1 47 47 ASP H H 1 9.33 0.01 . 1 . . . . . . . . 5209 1 248 . 1 1 47 47 ASP N N 15 129.21 0.14 . 1 . . . . . . . . 5209 1 249 . 1 1 47 47 ASP C C 13 174.54 0.06 . 1 . . . . . . . . 5209 1 250 . 1 1 47 47 ASP CA C 13 52.29 0.27 . 1 . . . . . . . . 5209 1 251 . 1 1 47 47 ASP CB C 13 41.06 0.27 . 1 . . . . . . . . 5209 1 252 . 1 1 48 48 VAL H H 1 9.02 0.01 . 1 . . . . . . . . 5209 1 253 . 1 1 48 48 VAL N N 15 123.65 0.14 . 1 . . . . . . . . 5209 1 254 . 1 1 48 48 VAL C C 13 174.09 0.06 . 1 . . . . . . . . 5209 1 255 . 1 1 48 48 VAL CA C 13 61.04 0.27 . 1 . . . . . . . . 5209 1 256 . 1 1 48 48 VAL CB C 13 33.23 0.27 . 1 . . . . . . . . 5209 1 257 . 1 1 48 48 VAL CG1 C 13 20.84 0.02 . 2 . . . . . . . . 5209 1 258 . 1 1 48 48 VAL HG11 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 259 . 1 1 48 48 VAL HG12 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 260 . 1 1 48 48 VAL HG13 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 261 . 1 1 48 48 VAL CG2 C 13 21.73 0.02 . 2 . . . . . . . . 5209 1 262 . 1 1 48 48 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . 5209 1 263 . 1 1 48 48 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . 5209 1 264 . 1 1 48 48 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . 5209 1 265 . 1 1 49 49 LEU H H 1 8.97 0.01 . 1 . . . . . . . . 5209 1 266 . 1 1 49 49 LEU N N 15 129.10 0.14 . 1 . . . . . . . . 5209 1 267 . 1 1 49 49 LEU C C 13 176.06 0.06 . 1 . . . . . . . . 5209 1 268 . 1 1 49 49 LEU CA C 13 54.50 0.27 . 1 . . . . . . . . 5209 1 269 . 1 1 49 49 LEU CB C 13 41.36 0.27 . 1 . . . . . . . . 5209 1 270 . 1 1 49 49 LEU CG C 13 30.05 0.11 . 1 . . . . . . . . 5209 1 271 . 1 1 49 49 LEU CD1 C 13 24.94 0.02 . 2 . . . . . . . . 5209 1 272 . 1 1 49 49 LEU HD11 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 273 . 1 1 49 49 LEU HD12 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 274 . 1 1 49 49 LEU HD13 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 275 . 1 1 49 49 LEU CD2 C 13 23.59 0.02 . 2 . . . . . . . . 5209 1 276 . 1 1 49 49 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 277 . 1 1 49 49 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 278 . 1 1 49 49 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 279 . 1 1 50 50 LEU H H 1 10.12 0.01 . 1 . . . . . . . . 5209 1 280 . 1 1 50 50 LEU N N 15 133.31 0.14 . 1 . . . . . . . . 5209 1 281 . 1 1 50 50 LEU C C 13 173.97 0.06 . 1 . . . . . . . . 5209 1 282 . 1 1 50 50 LEU CA C 13 53.03 0.27 . 1 . . . . . . . . 5209 1 283 . 1 1 50 50 LEU CB C 13 47.29 0.27 . 1 . . . . . . . . 5209 1 284 . 1 1 50 50 LEU CG C 13 26.79 0.11 . 1 . . . . . . . . 5209 1 285 . 1 1 50 50 LEU CD1 C 13 25.92 0.02 . 2 . . . . . . . . 5209 1 286 . 1 1 50 50 LEU HD11 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 287 . 1 1 50 50 LEU HD12 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 288 . 1 1 50 50 LEU HD13 H 1 0.7 0.01 . 2 . . . . . . . . 5209 1 289 . 1 1 50 50 LEU CD2 C 13 23.22 0.02 . 2 . . . . . . . . 5209 1 290 . 1 1 50 50 LEU HD21 H 1 0.67 0.01 . 2 . . . . . . . . 5209 1 291 . 1 1 50 50 LEU HD22 H 1 0.67 0.01 . 2 . . . . . . . . 5209 1 292 . 1 1 50 50 LEU HD23 H 1 0.67 0.01 . 2 . . . . . . . . 5209 1 293 . 1 1 51 51 THR H H 1 9.04 0.01 . 1 . . . . . . . . 5209 1 294 . 1 1 51 51 THR N N 15 118.01 0.14 . 1 . . . . . . . . 5209 1 295 . 1 1 51 51 THR C C 13 171.63 0.06 . 1 . . . . . . . . 5209 1 296 . 1 1 51 51 THR CA C 13 60.87 0.27 . 1 . . . . . . . . 5209 1 297 . 1 1 51 51 THR CB C 13 68.79 0.27 . 1 . . . . . . . . 5209 1 298 . 1 1 52 52 HIS H H 1 8.77 0.01 . 1 . . . . . . . . 5209 1 299 . 1 1 52 52 HIS N N 15 122.85 0.14 . 1 . . . . . . . . 5209 1 300 . 1 1 52 52 HIS CA C 13 55.04 0.27 . 1 . . . . . . . . 5209 1 301 . 1 1 52 52 HIS CB C 13 36.07 0.27 . 1 . . . . . . . . 5209 1 302 . 1 1 53 53 PRO C C 13 176.94 0.06 . 1 . . . . . . . . 5209 1 303 . 1 1 54 54 ASN H H 1 11.00 0.01 . 1 . . . . . . . . 5209 1 304 . 1 1 54 54 ASN N N 15 118.15 0.14 . 1 . . . . . . . . 5209 1 305 . 1 1 54 54 ASN C C 13 175.18 0.06 . 1 . . . . . . . . 5209 1 306 . 1 1 54 54 ASN CB C 13 37.51 0.27 . 1 . . . . . . . . 5209 1 307 . 1 1 55 55 PHE H H 1 8.49 0.01 . 1 . . . . . . . . 5209 1 308 . 1 1 55 55 PHE N N 15 122.42 0.14 . 1 . . . . . . . . 5209 1 309 . 1 1 55 55 PHE C C 13 172.65 0.06 . 1 . . . . . . . . 5209 1 310 . 1 1 55 55 PHE CA C 13 54.48 0.27 . 1 . . . . . . . . 5209 1 311 . 1 1 55 55 PHE CB C 13 39.42 0.27 . 1 . . . . . . . . 5209 1 312 . 1 1 56 56 THR H H 1 8.36 0.01 . 1 . . . . . . . . 5209 1 313 . 1 1 56 56 THR N N 15 116.19 0.14 . 1 . . . . . . . . 5209 1 314 . 1 1 56 56 THR CA C 13 59.90 0.27 . 1 . . . . . . . . 5209 1 315 . 1 1 56 56 THR CB C 13 71.51 0.27 . 1 . . . . . . . . 5209 1 316 . 1 1 57 57 SER C C 13 175.17 0.06 . 1 . . . . . . . . 5209 1 317 . 1 1 58 58 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 5209 1 318 . 1 1 58 58 GLU N N 15 119.10 0.14 . 1 . . . . . . . . 5209 1 319 . 1 1 58 58 GLU C C 13 176.57 0.06 . 1 . . . . . . . . 5209 1 320 . 1 1 58 58 GLU CA C 13 56.08 0.27 . 1 . . . . . . . . 5209 1 321 . 1 1 58 58 GLU CB C 13 29.36 0.27 . 1 . . . . . . . . 5209 1 322 . 1 1 59 59 SER H H 1 7.65 0.01 . 1 . . . . . . . . 5209 1 323 . 1 1 59 59 SER N N 15 116.21 0.14 . 1 . . . . . . . . 5209 1 324 . 1 1 59 59 SER CA C 13 58.03 0.27 . 1 . . . . . . . . 5209 1 325 . 1 1 59 59 SER CB C 13 64.02 0.27 . 1 . . . . . . . . 5209 1 326 . 1 1 60 60 SER C C 13 174.70 0.06 . 1 . . . . . . . . 5209 1 327 . 1 1 61 61 LYS H H 1 8.47 0.01 . 1 . . . . . . . . 5209 1 328 . 1 1 61 61 LYS N N 15 121.64 0.14 . 1 . . . . . . . . 5209 1 329 . 1 1 61 61 LYS C C 13 176.27 0.06 . 1 . . . . . . . . 5209 1 330 . 1 1 61 61 LYS CA C 13 56.63 0.27 . 1 . . . . . . . . 5209 1 331 . 1 1 61 61 LYS CB C 13 31.82 0.27 . 1 . . . . . . . . 5209 1 332 . 1 1 62 62 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 5209 1 333 . 1 1 62 62 GLN N N 15 120.75 0.14 . 1 . . . . . . . . 5209 1 334 . 1 1 62 62 GLN CA C 13 52.70 0.27 . 1 . . . . . . . . 5209 1 335 . 1 1 62 62 GLN CB C 13 29.35 0.27 . 1 . . . . . . . . 5209 1 336 . 1 1 64 64 LYS C C 13 177.92 0.06 . 1 . . . . . . . . 5209 1 337 . 1 1 65 65 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5209 1 338 . 1 1 65 65 LEU N N 15 116.17 0.14 . 1 . . . . . . . . 5209 1 339 . 1 1 65 65 LEU C C 13 180.43 0.06 . 1 . . . . . . . . 5209 1 340 . 1 1 65 65 LEU CA C 13 56.53 0.27 . 1 . . . . . . . . 5209 1 341 . 1 1 65 65 LEU CB C 13 42.05 0.27 . 1 . . . . . . . . 5209 1 342 . 1 1 65 65 LEU CG C 13 26.28 0.11 . 1 . . . . . . . . 5209 1 343 . 1 1 65 65 LEU CD1 C 13 26.72 0.02 . 2 . . . . . . . . 5209 1 344 . 1 1 65 65 LEU HD11 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 345 . 1 1 65 65 LEU HD12 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 346 . 1 1 65 65 LEU HD13 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 347 . 1 1 65 65 LEU CD2 C 13 21.31 0.02 . 2 . . . . . . . . 5209 1 348 . 1 1 65 65 LEU HD21 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 349 . 1 1 65 65 LEU HD22 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 350 . 1 1 65 65 LEU HD23 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 351 . 1 1 66 66 LEU H H 1 7.68 0.01 . 1 . . . . . . . . 5209 1 352 . 1 1 66 66 LEU N N 15 117.87 0.14 . 1 . . . . . . . . 5209 1 353 . 1 1 66 66 LEU C C 13 177.89 0.06 . 1 . . . . . . . . 5209 1 354 . 1 1 67 67 HIS H H 1 8.40 0.01 . 1 . . . . . . . . 5209 1 355 . 1 1 67 67 HIS N N 15 119.78 0.14 . 1 . . . . . . . . 5209 1 356 . 1 1 67 67 HIS C C 13 177.22 0.06 . 1 . . . . . . . . 5209 1 357 . 1 1 67 67 HIS CA C 13 59.09 0.27 . 1 . . . . . . . . 5209 1 358 . 1 1 67 67 HIS CB C 13 30.63 0.27 . 1 . . . . . . . . 5209 1 359 . 1 1 68 68 ARG H H 1 8.50 0.01 . 1 . . . . . . . . 5209 1 360 . 1 1 68 68 ARG N N 15 115.57 0.14 . 1 . . . . . . . . 5209 1 361 . 1 1 68 68 ARG C C 13 179.16 0.06 . 1 . . . . . . . . 5209 1 362 . 1 1 68 68 ARG CA C 13 58.99 0.27 . 1 . . . . . . . . 5209 1 363 . 1 1 69 69 VAL H H 1 6.67 0.01 . 1 . . . . . . . . 5209 1 364 . 1 1 69 69 VAL N N 15 118.36 0.14 . 1 . . . . . . . . 5209 1 365 . 1 1 69 69 VAL C C 13 176.76 0.06 . 1 . . . . . . . . 5209 1 366 . 1 1 69 69 VAL CA C 13 65.61 0.27 . 1 . . . . . . . . 5209 1 367 . 1 1 69 69 VAL CB C 13 31.13 0.27 . 1 . . . . . . . . 5209 1 368 . 1 1 69 69 VAL CG1 C 13 20.56 0.02 . 2 . . . . . . . . 5209 1 369 . 1 1 69 69 VAL HG11 H 1 0.52 0.01 . 2 . . . . . . . . 5209 1 370 . 1 1 69 69 VAL HG12 H 1 0.52 0.01 . 2 . . . . . . . . 5209 1 371 . 1 1 69 69 VAL HG13 H 1 0.52 0.01 . 2 . . . . . . . . 5209 1 372 . 1 1 69 69 VAL CG2 C 13 22.71 0.02 . 2 . . . . . . . . 5209 1 373 . 1 1 69 69 VAL HG21 H 1 0.6 0.01 . 2 . . . . . . . . 5209 1 374 . 1 1 69 69 VAL HG22 H 1 0.6 0.01 . 2 . . . . . . . . 5209 1 375 . 1 1 69 69 VAL HG23 H 1 0.6 0.01 . 2 . . . . . . . . 5209 1 376 . 1 1 70 70 VAL H H 1 7.52 0.01 . 1 . . . . . . . . 5209 1 377 . 1 1 70 70 VAL N N 15 119.19 0.14 . 1 . . . . . . . . 5209 1 378 . 1 1 70 70 VAL C C 13 177.38 0.06 . 1 . . . . . . . . 5209 1 379 . 1 1 70 70 VAL CA C 13 66.49 0.27 . 1 . . . . . . . . 5209 1 380 . 1 1 70 70 VAL CB C 13 31.37 0.27 . 1 . . . . . . . . 5209 1 381 . 1 1 70 70 VAL CG1 C 13 20.37 0.02 . 2 . . . . . . . . 5209 1 382 . 1 1 70 70 VAL HG11 H 1 0.13 0.01 . 2 . . . . . . . . 5209 1 383 . 1 1 70 70 VAL HG12 H 1 0.13 0.01 . 2 . . . . . . . . 5209 1 384 . 1 1 70 70 VAL HG13 H 1 0.13 0.01 . 2 . . . . . . . . 5209 1 385 . 1 1 70 70 VAL CG2 C 13 22.05 0.02 . 2 . . . . . . . . 5209 1 386 . 1 1 70 70 VAL HG21 H 1 0.29 0.01 . 2 . . . . . . . . 5209 1 387 . 1 1 70 70 VAL HG22 H 1 0.29 0.01 . 2 . . . . . . . . 5209 1 388 . 1 1 70 70 VAL HG23 H 1 0.29 0.01 . 2 . . . . . . . . 5209 1 389 . 1 1 71 71 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 5209 1 390 . 1 1 71 71 GLU N N 15 116.93 0.14 . 1 . . . . . . . . 5209 1 391 . 1 1 71 71 GLU C C 13 179.69 0.06 . 1 . . . . . . . . 5209 1 392 . 1 1 71 71 GLU CA C 13 58.37 0.27 . 1 . . . . . . . . 5209 1 393 . 1 1 71 71 GLU CB C 13 28.96 0.27 . 1 . . . . . . . . 5209 1 394 . 1 1 72 72 GLN H H 1 7.58 0.01 . 1 . . . . . . . . 5209 1 395 . 1 1 72 72 GLN N N 15 120.23 0.14 . 1 . . . . . . . . 5209 1 396 . 1 1 72 72 GLN C C 13 177.76 0.06 . 1 . . . . . . . . 5209 1 397 . 1 1 72 72 GLN CA C 13 57.69 0.27 . 1 . . . . . . . . 5209 1 398 . 1 1 73 73 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 5209 1 399 . 1 1 73 73 LEU N N 15 116.64 0.14 . 1 . . . . . . . . 5209 1 400 . 1 1 73 73 LEU C C 13 180.35 0.06 . 1 . . . . . . . . 5209 1 401 . 1 1 73 73 LEU CA C 13 56.44 0.27 . 1 . . . . . . . . 5209 1 402 . 1 1 73 73 LEU CB C 13 40.42 0.27 . 1 . . . . . . . . 5209 1 403 . 1 1 74 74 GLN H H 1 8.48 0.01 . 1 . . . . . . . . 5209 1 404 . 1 1 74 74 GLN N N 15 121.15 0.14 . 1 . . . . . . . . 5209 1 405 . 1 1 74 74 GLN C C 13 180.02 0.06 . 1 . . . . . . . . 5209 1 406 . 1 1 74 74 GLN CA C 13 58.21 0.27 . 1 . . . . . . . . 5209 1 407 . 1 1 74 74 GLN CB C 13 28.20 0.27 . 1 . . . . . . . . 5209 1 408 . 1 1 75 75 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 5209 1 409 . 1 1 75 75 LYS N N 15 125.18 0.14 . 1 . . . . . . . . 5209 1 410 . 1 1 75 75 LYS C C 13 179.23 0.06 . 1 . . . . . . . . 5209 1 411 . 1 1 76 76 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 5209 1 412 . 1 1 76 76 VAL N N 15 108.04 0.14 . 1 . . . . . . . . 5209 1 413 . 1 1 76 76 VAL C C 13 175.04 0.06 . 1 . . . . . . . . 5209 1 414 . 1 1 76 76 VAL CA C 13 60.38 0.27 . 1 . . . . . . . . 5209 1 415 . 1 1 76 76 VAL CB C 13 30.41 0.27 . 1 . . . . . . . . 5209 1 416 . 1 1 76 76 VAL CG1 C 13 18.51 0.02 . 2 . . . . . . . . 5209 1 417 . 1 1 76 76 VAL HG11 H 1 0.99 0.01 . 2 . . . . . . . . 5209 1 418 . 1 1 76 76 VAL HG12 H 1 0.99 0.01 . 2 . . . . . . . . 5209 1 419 . 1 1 76 76 VAL HG13 H 1 0.99 0.01 . 2 . . . . . . . . 5209 1 420 . 1 1 76 76 VAL CG2 C 13 20.77 0.02 . 2 . . . . . . . . 5209 1 421 . 1 1 76 76 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 5209 1 422 . 1 1 76 76 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 5209 1 423 . 1 1 76 76 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 5209 1 424 . 1 1 77 77 ARG H H 1 7.83 0.01 . 1 . . . . . . . . 5209 1 425 . 1 1 77 77 ARG N N 15 114.73 0.14 . 1 . . . . . . . . 5209 1 426 . 1 1 77 77 ARG C C 13 174.15 0.06 . 1 . . . . . . . . 5209 1 427 . 1 1 77 77 ARG CA C 13 56.82 0.27 . 1 . . . . . . . . 5209 1 428 . 1 1 77 77 ARG CB C 13 25.18 0.27 . 1 . . . . . . . . 5209 1 429 . 1 1 78 78 PHE H H 1 7.89 0.01 . 1 . . . . . . . . 5209 1 430 . 1 1 78 78 PHE N N 15 117.14 0.14 . 1 . . . . . . . . 5209 1 431 . 1 1 78 78 PHE C C 13 175.87 0.06 . 1 . . . . . . . . 5209 1 432 . 1 1 78 78 PHE CA C 13 58.76 0.27 . 1 . . . . . . . . 5209 1 433 . 1 1 79 79 ILE H H 1 6.74 0.01 . 1 . . . . . . . . 5209 1 434 . 1 1 79 79 ILE N N 15 114.71 0.14 . 1 . . . . . . . . 5209 1 435 . 1 1 79 79 ILE C C 13 176.31 0.06 . 1 . . . . . . . . 5209 1 436 . 1 1 79 79 ILE CA C 13 60.27 0.27 . 1 . . . . . . . . 5209 1 437 . 1 1 79 79 ILE CB C 13 37.81 0.27 . 1 . . . . . . . . 5209 1 438 . 1 1 79 79 ILE CG1 C 13 28.06 0.02 . 1 . . . . . . . . 5209 1 439 . 1 1 79 79 ILE CD1 C 13 14.07 0.02 . 1 . . . . . . . . 5209 1 440 . 1 1 79 79 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 441 . 1 1 79 79 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 442 . 1 1 79 79 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 443 . 1 1 80 80 THR H H 1 9.02 0.01 . 1 . . . . . . . . 5209 1 444 . 1 1 80 80 THR N N 15 119.69 0.14 . 1 . . . . . . . . 5209 1 445 . 1 1 80 80 THR C C 13 174.92 0.06 . 1 . . . . . . . . 5209 1 446 . 1 1 80 80 THR CA C 13 61.72 0.27 . 1 . . . . . . . . 5209 1 447 . 1 1 80 80 THR CB C 13 68.07 0.27 . 1 . . . . . . . . 5209 1 448 . 1 1 81 81 ASP H H 1 7.66 0.01 . 1 . . . . . . . . 5209 1 449 . 1 1 81 81 ASP N N 15 119.01 0.14 . 1 . . . . . . . . 5209 1 450 . 1 1 81 81 ASP C C 13 174.70 0.06 . 1 . . . . . . . . 5209 1 451 . 1 1 81 81 ASP CA C 13 53.80 0.27 . 1 . . . . . . . . 5209 1 452 . 1 1 82 82 THR H H 1 8.80 0.01 . 1 . . . . . . . . 5209 1 453 . 1 1 82 82 THR N N 15 117.98 0.14 . 1 . . . . . . . . 5209 1 454 . 1 1 82 82 THR C C 13 173.27 0.06 . 1 . . . . . . . . 5209 1 455 . 1 1 82 82 THR CA C 13 62.50 0.27 . 1 . . . . . . . . 5209 1 456 . 1 1 82 82 THR CB C 13 70.42 0.27 . 1 . . . . . . . . 5209 1 457 . 1 1 83 83 LEU H H 1 8.79 0.01 . 1 . . . . . . . . 5209 1 458 . 1 1 83 83 LEU N N 15 126.55 0.14 . 1 . . . . . . . . 5209 1 459 . 1 1 83 83 LEU C C 13 177.00 0.06 . 1 . . . . . . . . 5209 1 460 . 1 1 83 83 LEU CB C 13 40.87 0.27 . 1 . . . . . . . . 5209 1 461 . 1 1 83 83 LEU CG C 13 27.41 0.11 . 1 . . . . . . . . 5209 1 462 . 1 1 83 83 LEU CD1 C 13 22.47 0.02 . 2 . . . . . . . . 5209 1 463 . 1 1 83 83 LEU HD11 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 464 . 1 1 83 83 LEU HD12 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 465 . 1 1 83 83 LEU HD13 H 1 0.71 0.01 . 2 . . . . . . . . 5209 1 466 . 1 1 83 83 LEU CD2 C 13 24.69 0.02 . 2 . . . . . . . . 5209 1 467 . 1 1 83 83 LEU HD21 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 468 . 1 1 83 83 LEU HD22 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 469 . 1 1 83 83 LEU HD23 H 1 0.64 0.01 . 2 . . . . . . . . 5209 1 470 . 1 1 84 84 SER H H 1 7.97 0.01 . 1 . . . . . . . . 5209 1 471 . 1 1 84 84 SER N N 15 111.50 0.14 . 1 . . . . . . . . 5209 1 472 . 1 1 84 84 SER C C 13 172.15 0.06 . 1 . . . . . . . . 5209 1 473 . 1 1 84 84 SER CA C 13 57.01 0.27 . 1 . . . . . . . . 5209 1 474 . 1 1 84 84 SER CB C 13 63.37 0.27 . 1 . . . . . . . . 5209 1 475 . 1 1 85 85 LYS H H 1 8.95 0.01 . 1 . . . . . . . . 5209 1 476 . 1 1 85 85 LYS N N 15 128.14 0.14 . 1 . . . . . . . . 5209 1 477 . 1 1 85 85 LYS C C 13 174.56 0.06 . 1 . . . . . . . . 5209 1 478 . 1 1 86 86 GLY H H 1 8.13 0.01 . 1 . . . . . . . . 5209 1 479 . 1 1 86 86 GLY N N 15 113.72 0.14 . 1 . . . . . . . . 5209 1 480 . 1 1 86 86 GLY C C 13 173.57 0.06 . 1 . . . . . . . . 5209 1 481 . 1 1 86 86 GLY CA C 13 43.95 0.27 . 1 . . . . . . . . 5209 1 482 . 1 1 87 87 GLU H H 1 8.76 0.01 . 1 . . . . . . . . 5209 1 483 . 1 1 87 87 GLU N N 15 118.90 0.14 . 1 . . . . . . . . 5209 1 484 . 1 1 88 88 THR H H 1 8.32 0.01 . 1 . . . . . . . . 5209 1 485 . 1 1 88 88 THR N N 15 101.70 0.14 . 1 . . . . . . . . 5209 1 486 . 1 1 88 88 THR C C 13 174.00 0.06 . 1 . . . . . . . . 5209 1 487 . 1 1 89 89 LYS H H 1 7.26 0.01 . 1 . . . . . . . . 5209 1 488 . 1 1 89 89 LYS N N 15 122.89 0.14 . 1 . . . . . . . . 5209 1 489 . 1 1 89 89 LYS C C 13 173.81 0.06 . 1 . . . . . . . . 5209 1 490 . 1 1 89 89 LYS CA C 13 56.03 0.27 . 1 . . . . . . . . 5209 1 491 . 1 1 89 89 LYS CB C 13 35.04 0.27 . 1 . . . . . . . . 5209 1 492 . 1 1 90 90 PHE H H 1 9.57 0.01 . 1 . . . . . . . . 5209 1 493 . 1 1 90 90 PHE N N 15 128.59 0.14 . 1 . . . . . . . . 5209 1 494 . 1 1 90 90 PHE C C 13 173.26 0.06 . 1 . . . . . . . . 5209 1 495 . 1 1 90 90 PHE CA C 13 55.74 0.27 . 1 . . . . . . . . 5209 1 496 . 1 1 90 90 PHE CB C 13 41.83 0.27 . 1 . . . . . . . . 5209 1 497 . 1 1 91 91 MET H H 1 8.33 0.01 . 1 . . . . . . . . 5209 1 498 . 1 1 91 91 MET N N 15 124.89 0.14 . 1 . . . . . . . . 5209 1 499 . 1 1 91 91 MET C C 13 175.12 0.06 . 1 . . . . . . . . 5209 1 500 . 1 1 91 91 MET CA C 13 53.62 0.27 . 1 . . . . . . . . 5209 1 501 . 1 1 91 91 MET CB C 13 35.43 0.27 . 1 . . . . . . . . 5209 1 502 . 1 1 92 92 GLY H H 1 9.19 0.01 . 1 . . . . . . . . 5209 1 503 . 1 1 92 92 GLY N N 15 111.20 0.14 . 1 . . . . . . . . 5209 1 504 . 1 1 92 92 GLY C C 13 170.78 0.06 . 1 . . . . . . . . 5209 1 505 . 1 1 92 92 GLY CA C 13 45.79 0.27 . 1 . . . . . . . . 5209 1 506 . 1 1 93 93 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 5209 1 507 . 1 1 93 93 VAL N N 15 123.99 0.14 . 1 . . . . . . . . 5209 1 508 . 1 1 93 93 VAL C C 13 174.16 0.06 . 1 . . . . . . . . 5209 1 509 . 1 1 93 93 VAL CA C 13 59.95 0.27 . 1 . . . . . . . . 5209 1 510 . 1 1 93 93 VAL CB C 13 34.76 0.27 . 1 . . . . . . . . 5209 1 511 . 1 1 93 93 VAL CG1 C 13 22.65 0.02 . 2 . . . . . . . . 5209 1 512 . 1 1 93 93 VAL HG11 H 1 1 0.01 . 2 . . . . . . . . 5209 1 513 . 1 1 93 93 VAL HG12 H 1 1 0.01 . 2 . . . . . . . . 5209 1 514 . 1 1 93 93 VAL HG13 H 1 1 0.01 . 2 . . . . . . . . 5209 1 515 . 1 1 93 93 VAL CG2 C 13 20.67 0.02 . 2 . . . . . . . . 5209 1 516 . 1 1 93 93 VAL HG21 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 517 . 1 1 93 93 VAL HG22 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 518 . 1 1 93 93 VAL HG23 H 1 0.74 0.01 . 2 . . . . . . . . 5209 1 519 . 1 1 94 94 CYS H H 1 9.75 0.01 . 1 . . . . . . . . 5209 1 520 . 1 1 94 94 CYS N N 15 122.08 0.14 . 1 . . . . . . . . 5209 1 521 . 1 1 94 94 CYS C C 13 171.61 0.06 . 1 . . . . . . . . 5209 1 522 . 1 1 94 94 CYS CA C 13 54.10 0.27 . 1 . . . . . . . . 5209 1 523 . 1 1 94 94 CYS CB C 13 32.65 0.27 . 1 . . . . . . . . 5209 1 524 . 1 1 95 95 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 5209 1 525 . 1 1 95 95 GLN N N 15 118.54 0.14 . 1 . . . . . . . . 5209 1 526 . 1 1 95 95 GLN C C 13 174.43 0.06 . 1 . . . . . . . . 5209 1 527 . 1 1 95 95 GLN CA C 13 54.27 0.27 . 1 . . . . . . . . 5209 1 528 . 1 1 95 95 GLN CB C 13 32.62 0.27 . 1 . . . . . . . . 5209 1 529 . 1 1 96 96 LEU H H 1 9.12 0.01 . 1 . . . . . . . . 5209 1 530 . 1 1 96 96 LEU N N 15 128.06 0.14 . 1 . . . . . . . . 5209 1 531 . 1 1 96 96 LEU CA C 13 52.73 0.27 . 1 . . . . . . . . 5209 1 532 . 1 1 96 96 LEU CB C 13 40.32 0.27 . 1 . . . . . . . . 5209 1 533 . 1 1 96 96 LEU CG C 13 25.99 0.11 . 1 . . . . . . . . 5209 1 534 . 1 1 96 96 LEU CD1 C 13 24.18 0.02 . 2 . . . . . . . . 5209 1 535 . 1 1 96 96 LEU HD11 H 1 0.62 0.01 . 2 . . . . . . . . 5209 1 536 . 1 1 96 96 LEU HD12 H 1 0.62 0.01 . 2 . . . . . . . . 5209 1 537 . 1 1 96 96 LEU HD13 H 1 0.62 0.01 . 2 . . . . . . . . 5209 1 538 . 1 1 96 96 LEU CD2 C 13 24.96 0.02 . 2 . . . . . . . . 5209 1 539 . 1 1 96 96 LEU HD21 H 1 0.47 0.01 . 2 . . . . . . . . 5209 1 540 . 1 1 96 96 LEU HD22 H 1 0.47 0.01 . 2 . . . . . . . . 5209 1 541 . 1 1 96 96 LEU HD23 H 1 0.47 0.01 . 2 . . . . . . . . 5209 1 542 . 1 1 97 97 PRO C C 13 176.61 0.06 . 1 . . . . . . . . 5209 1 543 . 1 1 98 98 SER H H 1 8.41 0.01 . 1 . . . . . . . . 5209 1 544 . 1 1 98 98 SER N N 15 114.24 0.14 . 1 . . . . . . . . 5209 1 545 . 1 1 98 98 SER C C 13 175.18 0.06 . 1 . . . . . . . . 5209 1 546 . 1 1 98 98 SER CA C 13 56.65 0.27 . 1 . . . . . . . . 5209 1 547 . 1 1 98 98 SER CB C 13 64.24 0.27 . 1 . . . . . . . . 5209 1 548 . 1 1 99 99 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 5209 1 549 . 1 1 99 99 GLU N N 15 123.63 0.14 . 1 . . . . . . . . 5209 1 550 . 1 1 99 99 GLU C C 13 176.51 0.06 . 1 . . . . . . . . 5209 1 551 . 1 1 99 99 GLU CA C 13 56.47 0.27 . 1 . . . . . . . . 5209 1 552 . 1 1 99 99 GLU CB C 13 29.64 0.27 . 1 . . . . . . . . 5209 1 553 . 1 1 100 100 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 5209 1 554 . 1 1 100 100 ASN N N 15 117.38 0.14 . 1 . . . . . . . . 5209 1 555 . 1 1 100 100 ASN C C 13 174.89 0.06 . 1 . . . . . . . . 5209 1 556 . 1 1 100 100 ASN CA C 13 52.95 0.27 . 1 . . . . . . . . 5209 1 557 . 1 1 100 100 ASN CB C 13 38.94 0.27 . 1 . . . . . . . . 5209 1 558 . 1 1 101 101 ASP H H 1 8.41 0.01 . 1 . . . . . . . . 5209 1 559 . 1 1 101 101 ASP N N 15 118.94 0.14 . 1 . . . . . . . . 5209 1 560 . 1 1 101 101 ASP C C 13 176.25 0.06 . 1 . . . . . . . . 5209 1 561 . 1 1 101 101 ASP CA C 13 55.08 0.27 . 1 . . . . . . . . 5209 1 562 . 1 1 101 101 ASP CB C 13 40.18 0.27 . 1 . . . . . . . . 5209 1 563 . 1 1 102 102 GLU H H 1 8.12 0.01 . 1 . . . . . . . . 5209 1 564 . 1 1 102 102 GLU N N 15 118.49 0.14 . 1 . . . . . . . . 5209 1 565 . 1 1 102 102 GLU C C 13 175.99 0.06 . 1 . . . . . . . . 5209 1 566 . 1 1 102 102 GLU CA C 13 56.12 0.27 . 1 . . . . . . . . 5209 1 567 . 1 1 102 102 GLU CB C 13 29.61 0.27 . 1 . . . . . . . . 5209 1 568 . 1 1 103 103 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 5209 1 569 . 1 1 103 103 ASN N N 15 118.87 0.14 . 1 . . . . . . . . 5209 1 570 . 1 1 103 103 ASN C C 13 174.42 0.06 . 1 . . . . . . . . 5209 1 571 . 1 1 103 103 ASN CA C 13 52.51 0.27 . 1 . . . . . . . . 5209 1 572 . 1 1 103 103 ASN CB C 13 39.02 0.27 . 1 . . . . . . . . 5209 1 573 . 1 1 104 104 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 5209 1 574 . 1 1 104 104 GLU N N 15 122.00 0.14 . 1 . . . . . . . . 5209 1 575 . 1 1 104 104 GLU C C 13 176.69 0.06 . 1 . . . . . . . . 5209 1 576 . 1 1 104 104 GLU CA C 13 55.71 0.27 . 1 . . . . . . . . 5209 1 577 . 1 1 104 104 GLU CB C 13 30.05 0.27 . 1 . . . . . . . . 5209 1 578 . 1 1 105 105 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 5209 1 579 . 1 1 105 105 TYR N N 15 123.62 0.14 . 1 . . . . . . . . 5209 1 580 . 1 1 105 105 TYR CA C 13 57.08 0.27 . 1 . . . . . . . . 5209 1 581 . 1 1 105 105 TYR CB C 13 37.43 0.27 . 1 . . . . . . . . 5209 1 582 . 1 1 106 106 PRO C C 13 176.00 0.06 . 1 . . . . . . . . 5209 1 583 . 1 1 107 107 HIS H H 1 8.35 0.01 . 1 . . . . . . . . 5209 1 584 . 1 1 107 107 HIS N N 15 118.67 0.14 . 1 . . . . . . . . 5209 1 585 . 1 1 107 107 HIS C C 13 176.06 0.06 . 1 . . . . . . . . 5209 1 586 . 1 1 107 107 HIS CA C 13 56.68 0.27 . 1 . . . . . . . . 5209 1 587 . 1 1 107 107 HIS CB C 13 29.15 0.27 . 1 . . . . . . . . 5209 1 588 . 1 1 108 108 ARG H H 1 9.64 0.01 . 1 . . . . . . . . 5209 1 589 . 1 1 108 108 ARG N N 15 121.48 0.14 . 1 . . . . . . . . 5209 1 590 . 1 1 108 108 ARG C C 13 175.65 0.06 . 1 . . . . . . . . 5209 1 591 . 1 1 108 108 ARG CA C 13 51.73 0.27 . 1 . . . . . . . . 5209 1 592 . 1 1 109 109 ARG H H 1 8.72 0.01 . 1 . . . . . . . . 5209 1 593 . 1 1 109 109 ARG N N 15 122.20 0.14 . 1 . . . . . . . . 5209 1 594 . 1 1 109 109 ARG C C 13 174.13 0.06 . 1 . . . . . . . . 5209 1 595 . 1 1 109 109 ARG CA C 13 55.48 0.27 . 1 . . . . . . . . 5209 1 596 . 1 1 109 109 ARG CB C 13 28.71 0.27 . 1 . . . . . . . . 5209 1 597 . 1 1 110 110 ILE H H 1 7.95 0.01 . 1 . . . . . . . . 5209 1 598 . 1 1 110 110 ILE N N 15 118.59 0.14 . 1 . . . . . . . . 5209 1 599 . 1 1 110 110 ILE C C 13 171.96 0.06 . 1 . . . . . . . . 5209 1 600 . 1 1 110 110 ILE CA C 13 57.57 0.27 . 1 . . . . . . . . 5209 1 601 . 1 1 110 110 ILE CB C 13 40.78 0.27 . 1 . . . . . . . . 5209 1 602 . 1 1 110 110 ILE CG1 C 13 28.49 0.02 . 1 . . . . . . . . 5209 1 603 . 1 1 110 110 ILE CD1 C 13 14.23 0.02 . 1 . . . . . . . . 5209 1 604 . 1 1 110 110 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 5209 1 605 . 1 1 110 110 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 5209 1 606 . 1 1 110 110 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 5209 1 607 . 1 1 111 111 ASP H H 1 8.89 0.01 . 1 . . . . . . . . 5209 1 608 . 1 1 111 111 ASP N N 15 128.07 0.14 . 1 . . . . . . . . 5209 1 609 . 1 1 111 111 ASP C C 13 175.43 0.06 . 1 . . . . . . . . 5209 1 610 . 1 1 111 111 ASP CA C 13 51.84 0.27 . 1 . . . . . . . . 5209 1 611 . 1 1 111 111 ASP CB C 13 42.54 0.27 . 1 . . . . . . . . 5209 1 612 . 1 1 112 112 ILE H H 1 9.30 0.01 . 1 . . . . . . . . 5209 1 613 . 1 1 112 112 ILE N N 15 118.62 0.14 . 1 . . . . . . . . 5209 1 614 . 1 1 112 112 ILE C C 13 174.55 0.06 . 1 . . . . . . . . 5209 1 615 . 1 1 112 112 ILE CA C 13 59.92 0.27 . 1 . . . . . . . . 5209 1 616 . 1 1 112 112 ILE CB C 13 40.00 0.27 . 1 . . . . . . . . 5209 1 617 . 1 1 112 112 ILE CG1 C 13 26.32 0.02 . 1 . . . . . . . . 5209 1 618 . 1 1 112 112 ILE CD1 C 13 13.1 0.02 . 1 . . . . . . . . 5209 1 619 . 1 1 112 112 ILE HD11 H 1 0.53 0.01 . 1 . . . . . . . . 5209 1 620 . 1 1 112 112 ILE HD12 H 1 0.53 0.01 . 1 . . . . . . . . 5209 1 621 . 1 1 112 112 ILE HD13 H 1 0.53 0.01 . 1 . . . . . . . . 5209 1 622 . 1 1 113 113 ARG H H 1 8.83 0.01 . 1 . . . . . . . . 5209 1 623 . 1 1 113 113 ARG N N 15 125.68 0.14 . 1 . . . . . . . . 5209 1 624 . 1 1 113 113 ARG C C 13 173.81 0.06 . 1 . . . . . . . . 5209 1 625 . 1 1 113 113 ARG CA C 13 53.86 0.27 . 1 . . . . . . . . 5209 1 626 . 1 1 113 113 ARG CB C 13 32.34 0.27 . 1 . . . . . . . . 5209 1 627 . 1 1 114 114 LEU H H 1 9.01 0.01 . 1 . . . . . . . . 5209 1 628 . 1 1 114 114 LEU N N 15 126.44 0.14 . 1 . . . . . . . . 5209 1 629 . 1 1 114 114 LEU C C 13 174.71 0.06 . 1 . . . . . . . . 5209 1 630 . 1 1 114 114 LEU CA C 13 53.60 0.27 . 1 . . . . . . . . 5209 1 631 . 1 1 114 114 LEU CB C 13 43.47 0.27 . 1 . . . . . . . . 5209 1 632 . 1 1 114 114 LEU CG C 13 26.97 0.11 . 1 . . . . . . . . 5209 1 633 . 1 1 114 114 LEU CD1 C 13 22.9 0.02 . 2 . . . . . . . . 5209 1 634 . 1 1 114 114 LEU HD11 H 1 0.79 0.01 . 2 . . . . . . . . 5209 1 635 . 1 1 114 114 LEU HD12 H 1 0.79 0.01 . 2 . . . . . . . . 5209 1 636 . 1 1 114 114 LEU HD13 H 1 0.79 0.01 . 2 . . . . . . . . 5209 1 637 . 1 1 114 114 LEU CD2 C 13 27.33 0.02 . 2 . . . . . . . . 5209 1 638 . 1 1 114 114 LEU HD21 H 1 0.43 0.01 . 2 . . . . . . . . 5209 1 639 . 1 1 114 114 LEU HD22 H 1 0.43 0.01 . 2 . . . . . . . . 5209 1 640 . 1 1 114 114 LEU HD23 H 1 0.43 0.01 . 2 . . . . . . . . 5209 1 641 . 1 1 115 115 ILE H H 1 9.22 0.01 . 1 . . . . . . . . 5209 1 642 . 1 1 115 115 ILE N N 15 128.60 0.14 . 1 . . . . . . . . 5209 1 643 . 1 1 115 115 ILE CA C 13 56.87 0.27 . 1 . . . . . . . . 5209 1 644 . 1 1 115 115 ILE CB C 13 41.80 0.27 . 1 . . . . . . . . 5209 1 645 . 1 1 115 115 ILE CG1 C 13 26.61 0.02 . 1 . . . . . . . . 5209 1 646 . 1 1 115 115 ILE CD1 C 13 13.01 0.02 . 1 . . . . . . . . 5209 1 647 . 1 1 115 115 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 5209 1 648 . 1 1 115 115 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 5209 1 649 . 1 1 115 115 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 5209 1 650 . 1 1 116 116 PRO C C 13 178.60 0.06 . 1 . . . . . . . . 5209 1 651 . 1 1 117 117 LYS H H 1 9.46 0.01 . 1 . . . . . . . . 5209 1 652 . 1 1 117 117 LYS N N 15 125.93 0.14 . 1 . . . . . . . . 5209 1 653 . 1 1 117 117 LYS C C 13 178.49 0.06 . 1 . . . . . . . . 5209 1 654 . 1 1 117 117 LYS CA C 13 59.73 0.27 . 1 . . . . . . . . 5209 1 655 . 1 1 117 117 LYS CB C 13 30.87 0.27 . 1 . . . . . . . . 5209 1 656 . 1 1 118 118 ASP H H 1 9.39 0.01 . 1 . . . . . . . . 5209 1 657 . 1 1 118 118 ASP N N 15 112.57 0.14 . 1 . . . . . . . . 5209 1 658 . 1 1 118 118 ASP C C 13 176.65 0.06 . 1 . . . . . . . . 5209 1 659 . 1 1 118 118 ASP CA C 13 54.37 0.27 . 1 . . . . . . . . 5209 1 660 . 1 1 118 118 ASP CB C 13 40.00 0.27 . 1 . . . . . . . . 5209 1 661 . 1 1 119 119 GLN H H 1 8.01 0.01 . 1 . . . . . . . . 5209 1 662 . 1 1 119 119 GLN N N 15 118.30 0.14 . 1 . . . . . . . . 5209 1 663 . 1 1 119 119 GLN C C 13 176.93 0.06 . 1 . . . . . . . . 5209 1 664 . 1 1 119 119 GLN CA C 13 56.00 0.27 . 1 . . . . . . . . 5209 1 665 . 1 1 120 120 TYR H H 1 7.53 0.01 . 1 . . . . . . . . 5209 1 666 . 1 1 120 120 TYR N N 15 121.02 0.14 . 1 . . . . . . . . 5209 1 667 . 1 1 120 120 TYR C C 13 176.46 0.06 . 1 . . . . . . . . 5209 1 668 . 1 1 121 121 TYR H H 1 7.76 0.01 . 1 . . . . . . . . 5209 1 669 . 1 1 121 121 TYR N N 15 115.05 0.14 . 1 . . . . . . . . 5209 1 670 . 1 1 121 121 TYR C C 13 178.25 0.06 . 1 . . . . . . . . 5209 1 671 . 1 1 121 121 TYR CA C 13 63.58 0.27 . 1 . . . . . . . . 5209 1 672 . 1 1 121 121 TYR CB C 13 36.25 0.27 . 1 . . . . . . . . 5209 1 673 . 1 1 122 122 CYS H H 1 9.26 0.01 . 1 . . . . . . . . 5209 1 674 . 1 1 122 122 CYS N N 15 120.30 0.14 . 1 . . . . . . . . 5209 1 675 . 1 1 122 122 CYS C C 13 177.97 0.06 . 1 . . . . . . . . 5209 1 676 . 1 1 122 122 CYS CA C 13 64.36 0.27 . 1 . . . . . . . . 5209 1 677 . 1 1 122 122 CYS CB C 13 25.86 0.27 . 1 . . . . . . . . 5209 1 678 . 1 1 123 123 GLY H H 1 7.63 0.01 . 1 . . . . . . . . 5209 1 679 . 1 1 123 123 GLY N N 15 110.77 0.14 . 1 . . . . . . . . 5209 1 680 . 1 1 123 123 GLY C C 13 174.76 0.06 . 1 . . . . . . . . 5209 1 681 . 1 1 123 123 GLY CA C 13 47.37 0.27 . 1 . . . . . . . . 5209 1 682 . 1 1 124 124 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 5209 1 683 . 1 1 124 124 VAL N N 15 124.28 0.14 . 1 . . . . . . . . 5209 1 684 . 1 1 124 124 VAL C C 13 179.08 0.06 . 1 . . . . . . . . 5209 1 685 . 1 1 124 124 VAL CA C 13 65.76 0.27 . 1 . . . . . . . . 5209 1 686 . 1 1 124 124 VAL CB C 13 31.62 0.27 . 1 . . . . . . . . 5209 1 687 . 1 1 124 124 VAL CG1 C 13 22.19 0.02 . 2 . . . . . . . . 5209 1 688 . 1 1 124 124 VAL HG11 H 1 0.15 0.01 . 2 . . . . . . . . 5209 1 689 . 1 1 124 124 VAL HG12 H 1 0.15 0.01 . 2 . . . . . . . . 5209 1 690 . 1 1 124 124 VAL HG13 H 1 0.15 0.01 . 2 . . . . . . . . 5209 1 691 . 1 1 124 124 VAL CG2 C 13 21.03 0.02 . 2 . . . . . . . . 5209 1 692 . 1 1 124 124 VAL HG21 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 693 . 1 1 124 124 VAL HG22 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 694 . 1 1 124 124 VAL HG23 H 1 0.91 0.01 . 2 . . . . . . . . 5209 1 695 . 1 1 125 125 LEU H H 1 8.48 0.01 . 1 . . . . . . . . 5209 1 696 . 1 1 125 125 LEU N N 15 123.18 0.14 . 1 . . . . . . . . 5209 1 697 . 1 1 125 125 LEU C C 13 180.12 0.06 . 1 . . . . . . . . 5209 1 698 . 1 1 125 125 LEU CA C 13 58.69 0.27 . 1 . . . . . . . . 5209 1 699 . 1 1 125 125 LEU CB C 13 42.04 0.27 . 1 . . . . . . . . 5209 1 700 . 1 1 125 125 LEU CG C 13 26.35 0.11 . 1 . . . . . . . . 5209 1 701 . 1 1 125 125 LEU CD1 C 13 25.46 0.02 . 2 . . . . . . . . 5209 1 702 . 1 1 125 125 LEU HD11 H 1 1.14 0.01 . 2 . . . . . . . . 5209 1 703 . 1 1 125 125 LEU HD12 H 1 1.14 0.01 . 2 . . . . . . . . 5209 1 704 . 1 1 125 125 LEU HD13 H 1 1.14 0.01 . 2 . . . . . . . . 5209 1 705 . 1 1 125 125 LEU CD2 C 13 27 0.02 . 2 . . . . . . . . 5209 1 706 . 1 1 125 125 LEU HD21 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 707 . 1 1 125 125 LEU HD22 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 708 . 1 1 125 125 LEU HD23 H 1 1.08 0.01 . 2 . . . . . . . . 5209 1 709 . 1 1 126 126 TYR H H 1 8.10 0.01 . 1 . . . . . . . . 5209 1 710 . 1 1 126 126 TYR N N 15 120.66 0.14 . 1 . . . . . . . . 5209 1 711 . 1 1 126 126 TYR C C 13 179.46 0.06 . 1 . . . . . . . . 5209 1 712 . 1 1 126 126 TYR CA C 13 61.09 0.27 . 1 . . . . . . . . 5209 1 713 . 1 1 126 126 TYR CB C 13 37.51 0.27 . 1 . . . . . . . . 5209 1 714 . 1 1 127 127 PHE H H 1 9.23 0.01 . 1 . . . . . . . . 5209 1 715 . 1 1 127 127 PHE N N 15 113.56 0.14 . 1 . . . . . . . . 5209 1 716 . 1 1 127 127 PHE C C 13 178.37 0.06 . 1 . . . . . . . . 5209 1 717 . 1 1 127 127 PHE CA C 13 60.89 0.27 . 1 . . . . . . . . 5209 1 718 . 1 1 127 127 PHE CB C 13 36.28 0.27 . 1 . . . . . . . . 5209 1 719 . 1 1 128 128 THR H H 1 7.95 0.01 . 1 . . . . . . . . 5209 1 720 . 1 1 128 128 THR N N 15 119.97 0.14 . 1 . . . . . . . . 5209 1 721 . 1 1 128 128 THR C C 13 172.80 0.06 . 1 . . . . . . . . 5209 1 722 . 1 1 129 129 GLY H H 1 7.04 0.01 . 1 . . . . . . . . 5209 1 723 . 1 1 129 129 GLY N N 15 107.05 0.14 . 1 . . . . . . . . 5209 1 724 . 1 1 129 129 GLY C C 13 175.31 0.06 . 1 . . . . . . . . 5209 1 725 . 1 1 129 129 GLY CA C 13 42.84 0.27 . 1 . . . . . . . . 5209 1 726 . 1 1 130 130 SER H H 1 7.49 0.01 . 1 . . . . . . . . 5209 1 727 . 1 1 130 130 SER N N 15 115.24 0.14 . 1 . . . . . . . . 5209 1 728 . 1 1 130 130 SER CB C 13 65.83 0.27 . 1 . . . . . . . . 5209 1 729 . 1 1 131 131 ASP C C 13 178.97 0.06 . 1 . . . . . . . . 5209 1 730 . 1 1 132 132 ILE H H 1 8.00 0.01 . 1 . . . . . . . . 5209 1 731 . 1 1 132 132 ILE N N 15 120.43 0.14 . 1 . . . . . . . . 5209 1 732 . 1 1 132 132 ILE C C 13 177.64 0.06 . 1 . . . . . . . . 5209 1 733 . 1 1 132 132 ILE CA C 13 63.36 0.27 . 1 . . . . . . . . 5209 1 734 . 1 1 132 132 ILE CG1 C 13 27.82 0.02 . 1 . . . . . . . . 5209 1 735 . 1 1 132 132 ILE CD1 C 13 11.96 0.02 . 1 . . . . . . . . 5209 1 736 . 1 1 132 132 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 5209 1 737 . 1 1 132 132 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 5209 1 738 . 1 1 132 132 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 5209 1 739 . 1 1 133 133 PHE H H 1 7.78 0.01 . 1 . . . . . . . . 5209 1 740 . 1 1 133 133 PHE N N 15 122.77 0.14 . 1 . . . . . . . . 5209 1 741 . 1 1 133 133 PHE C C 13 177.16 0.06 . 1 . . . . . . . . 5209 1 742 . 1 1 134 134 ASN H H 1 8.64 0.01 . 1 . . . . . . . . 5209 1 743 . 1 1 134 134 ASN N N 15 117.35 0.14 . 1 . . . . . . . . 5209 1 744 . 1 1 134 134 ASN C C 13 178.49 0.06 . 1 . . . . . . . . 5209 1 745 . 1 1 134 134 ASN CA C 13 55.77 0.27 . 1 . . . . . . . . 5209 1 746 . 1 1 134 134 ASN CB C 13 37.21 0.27 . 1 . . . . . . . . 5209 1 747 . 1 1 135 135 LYS H H 1 7.70 0.01 . 1 . . . . . . . . 5209 1 748 . 1 1 135 135 LYS N N 15 120.51 0.14 . 1 . . . . . . . . 5209 1 749 . 1 1 135 135 LYS C C 13 179.50 0.06 . 1 . . . . . . . . 5209 1 750 . 1 1 135 135 LYS CA C 13 59.39 0.27 . 1 . . . . . . . . 5209 1 751 . 1 1 136 136 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 5209 1 752 . 1 1 136 136 ASN N N 15 120.89 0.14 . 1 . . . . . . . . 5209 1 753 . 1 1 136 136 ASN C C 13 178.46 0.06 . 1 . . . . . . . . 5209 1 754 . 1 1 136 136 ASN CA C 13 55.34 0.27 . 1 . . . . . . . . 5209 1 755 . 1 1 137 137 MET H H 1 9.24 0.01 . 1 . . . . . . . . 5209 1 756 . 1 1 137 137 MET N N 15 124.03 0.14 . 1 . . . . . . . . 5209 1 757 . 1 1 137 137 MET C C 13 177.74 0.06 . 1 . . . . . . . . 5209 1 758 . 1 1 137 137 MET CA C 13 58.75 0.27 . 1 . . . . . . . . 5209 1 759 . 1 1 138 138 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 5209 1 760 . 1 1 138 138 ARG N N 15 118.21 0.14 . 1 . . . . . . . . 5209 1 761 . 1 1 138 138 ARG C C 13 179.12 0.06 . 1 . . . . . . . . 5209 1 762 . 1 1 138 138 ARG CA C 13 59.55 0.27 . 1 . . . . . . . . 5209 1 763 . 1 1 138 138 ARG CB C 13 29.61 0.27 . 1 . . . . . . . . 5209 1 764 . 1 1 139 139 ALA H H 1 7.87 0.01 . 1 . . . . . . . . 5209 1 765 . 1 1 139 139 ALA N N 15 121.57 0.14 . 1 . . . . . . . . 5209 1 766 . 1 1 139 139 ALA C C 13 180.44 0.06 . 1 . . . . . . . . 5209 1 767 . 1 1 139 139 ALA CB C 13 17.26 0.27 . 1 . . . . . . . . 5209 1 768 . 1 1 140 140 HIS H H 1 7.83 0.01 . 1 . . . . . . . . 5209 1 769 . 1 1 140 140 HIS N N 15 119.27 0.14 . 1 . . . . . . . . 5209 1 770 . 1 1 140 140 HIS C C 13 177.10 0.06 . 1 . . . . . . . . 5209 1 771 . 1 1 140 140 HIS CA C 13 58.96 0.27 . 1 . . . . . . . . 5209 1 772 . 1 1 141 141 ALA H H 1 8.48 0.01 . 1 . . . . . . . . 5209 1 773 . 1 1 141 141 ALA N N 15 119.12 0.14 . 1 . . . . . . . . 5209 1 774 . 1 1 141 141 ALA C C 13 179.52 0.06 . 1 . . . . . . . . 5209 1 775 . 1 1 141 141 ALA CA C 13 55.14 0.27 . 1 . . . . . . . . 5209 1 776 . 1 1 142 142 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 5209 1 777 . 1 1 142 142 LEU N N 15 119.09 0.14 . 1 . . . . . . . . 5209 1 778 . 1 1 142 142 LEU C C 13 181.43 0.06 . 1 . . . . . . . . 5209 1 779 . 1 1 142 142 LEU CA C 13 57.80 0.27 . 1 . . . . . . . . 5209 1 780 . 1 1 142 142 LEU CB C 13 41.13 0.27 . 1 . . . . . . . . 5209 1 781 . 1 1 143 143 GLU H H 1 7.55 0.01 . 1 . . . . . . . . 5209 1 782 . 1 1 143 143 GLU N N 15 120.32 0.14 . 1 . . . . . . . . 5209 1 783 . 1 1 143 143 GLU C C 13 178.51 0.06 . 1 . . . . . . . . 5209 1 784 . 1 1 144 144 LYS H H 1 7.44 0.01 . 1 . . . . . . . . 5209 1 785 . 1 1 144 144 LYS N N 15 115.98 0.14 . 1 . . . . . . . . 5209 1 786 . 1 1 144 144 LYS C C 13 175.84 0.06 . 1 . . . . . . . . 5209 1 787 . 1 1 144 144 LYS CA C 13 53.78 0.27 . 1 . . . . . . . . 5209 1 788 . 1 1 145 145 GLY H H 1 7.89 0.01 . 1 . . . . . . . . 5209 1 789 . 1 1 145 145 GLY N N 15 106.47 0.14 . 1 . . . . . . . . 5209 1 790 . 1 1 145 145 GLY C C 13 173.12 0.06 . 1 . . . . . . . . 5209 1 791 . 1 1 145 145 GLY CA C 13 45.45 0.27 . 1 . . . . . . . . 5209 1 792 . 1 1 146 146 PHE H H 1 8.63 0.01 . 1 . . . . . . . . 5209 1 793 . 1 1 146 146 PHE N N 15 118.88 0.14 . 1 . . . . . . . . 5209 1 794 . 1 1 146 146 PHE C C 13 173.64 0.06 . 1 . . . . . . . . 5209 1 795 . 1 1 146 146 PHE CA C 13 56.58 0.27 . 1 . . . . . . . . 5209 1 796 . 1 1 146 146 PHE CB C 13 42.47 0.27 . 1 . . . . . . . . 5209 1 797 . 1 1 147 147 THR H H 1 9.02 0.01 . 1 . . . . . . . . 5209 1 798 . 1 1 147 147 THR N N 15 112.71 0.14 . 1 . . . . . . . . 5209 1 799 . 1 1 147 147 THR C C 13 173.20 0.06 . 1 . . . . . . . . 5209 1 800 . 1 1 147 147 THR CA C 13 58.13 0.27 . 1 . . . . . . . . 5209 1 801 . 1 1 147 147 THR CB C 13 69.71 0.27 . 1 . . . . . . . . 5209 1 802 . 1 1 148 148 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 5209 1 803 . 1 1 148 148 ILE N N 15 129.03 0.14 . 1 . . . . . . . . 5209 1 804 . 1 1 148 148 ILE C C 13 174.25 0.06 . 1 . . . . . . . . 5209 1 805 . 1 1 148 148 ILE CA C 13 59.32 0.27 . 1 . . . . . . . . 5209 1 806 . 1 1 148 148 ILE CB C 13 40.86 0.27 . 1 . . . . . . . . 5209 1 807 . 1 1 148 148 ILE CG1 C 13 27.41 0.02 . 1 . . . . . . . . 5209 1 808 . 1 1 148 148 ILE CD1 C 13 15.06 0.02 . 1 . . . . . . . . 5209 1 809 . 1 1 148 148 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 810 . 1 1 148 148 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 811 . 1 1 148 148 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 5209 1 812 . 1 1 149 149 ASN H H 1 8.55 0.01 . 1 . . . . . . . . 5209 1 813 . 1 1 149 149 ASN N N 15 126.49 0.14 . 1 . . . . . . . . 5209 1 814 . 1 1 149 149 ASN C C 13 173.87 0.06 . 1 . . . . . . . . 5209 1 815 . 1 1 149 149 ASN CA C 13 50.86 0.27 . 1 . . . . . . . . 5209 1 816 . 1 1 149 149 ASN CB C 13 38.00 0.27 . 1 . . . . . . . . 5209 1 817 . 1 1 150 150 GLU H H 1 9.20 0.01 . 1 . . . . . . . . 5209 1 818 . 1 1 150 150 GLU N N 15 116.31 0.14 . 1 . . . . . . . . 5209 1 819 . 1 1 150 150 GLU C C 13 173.46 0.06 . 1 . . . . . . . . 5209 1 820 . 1 1 150 150 GLU CA C 13 57.89 0.27 . 1 . . . . . . . . 5209 1 821 . 1 1 150 150 GLU CB C 13 27.52 0.27 . 1 . . . . . . . . 5209 1 822 . 1 1 151 151 TYR H H 1 7.87 0.01 . 1 . . . . . . . . 5209 1 823 . 1 1 151 151 TYR N N 15 113.68 0.14 . 1 . . . . . . . . 5209 1 824 . 1 1 151 151 TYR C C 13 176.32 0.06 . 1 . . . . . . . . 5209 1 825 . 1 1 151 151 TYR CA C 13 57.88 0.27 . 1 . . . . . . . . 5209 1 826 . 1 1 152 152 THR H H 1 8.41 0.01 . 1 . . . . . . . . 5209 1 827 . 1 1 152 152 THR N N 15 107.51 0.14 . 1 . . . . . . . . 5209 1 828 . 1 1 152 152 THR C C 13 172.81 0.06 . 1 . . . . . . . . 5209 1 829 . 1 1 153 153 ILE H H 1 9.32 0.01 . 1 . . . . . . . . 5209 1 830 . 1 1 153 153 ILE N N 15 118.52 0.14 . 1 . . . . . . . . 5209 1 831 . 1 1 153 153 ILE C C 13 172.88 0.06 . 1 . . . . . . . . 5209 1 832 . 1 1 153 153 ILE CA C 13 58.40 0.27 . 1 . . . . . . . . 5209 1 833 . 1 1 153 153 ILE CB C 13 39.89 0.27 . 1 . . . . . . . . 5209 1 834 . 1 1 153 153 ILE CG1 C 13 28.69 0.02 . 1 . . . . . . . . 5209 1 835 . 1 1 153 153 ILE CD1 C 13 14.22 0.02 . 1 . . . . . . . . 5209 1 836 . 1 1 153 153 ILE HD11 H 1 0.54 0.01 . 1 . . . . . . . . 5209 1 837 . 1 1 153 153 ILE HD12 H 1 0.54 0.01 . 1 . . . . . . . . 5209 1 838 . 1 1 153 153 ILE HD13 H 1 0.54 0.01 . 1 . . . . . . . . 5209 1 839 . 1 1 154 154 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 5209 1 840 . 1 1 154 154 ARG N N 15 123.77 0.14 . 1 . . . . . . . . 5209 1 841 . 1 1 154 154 ARG CA C 13 51.22 0.27 . 1 . . . . . . . . 5209 1 842 . 1 1 154 154 ARG CB C 13 32.55 0.27 . 1 . . . . . . . . 5209 1 843 . 1 1 155 155 PRO C C 13 175.02 0.06 . 1 . . . . . . . . 5209 1 844 . 1 1 156 156 LEU H H 1 7.97 0.01 . 1 . . . . . . . . 5209 1 845 . 1 1 156 156 LEU N N 15 120.76 0.14 . 1 . . . . . . . . 5209 1 846 . 1 1 156 156 LEU C C 13 177.55 0.06 . 1 . . . . . . . . 5209 1 847 . 1 1 156 156 LEU CA C 13 52.96 0.27 . 1 . . . . . . . . 5209 1 848 . 1 1 156 156 LEU CB C 13 43.07 0.27 . 1 . . . . . . . . 5209 1 849 . 1 1 156 156 LEU CG C 13 26.08 0.11 . 1 . . . . . . . . 5209 1 850 . 1 1 156 156 LEU CD1 C 13 25.5 0.02 . 2 . . . . . . . . 5209 1 851 . 1 1 156 156 LEU HD11 H 1 0.59 0.01 . 2 . . . . . . . . 5209 1 852 . 1 1 156 156 LEU HD12 H 1 0.59 0.01 . 2 . . . . . . . . 5209 1 853 . 1 1 156 156 LEU HD13 H 1 0.59 0.01 . 2 . . . . . . . . 5209 1 854 . 1 1 156 156 LEU CD2 C 13 22.85 0.02 . 2 . . . . . . . . 5209 1 855 . 1 1 156 156 LEU HD21 H 1 0.51 0.01 . 2 . . . . . . . . 5209 1 856 . 1 1 156 156 LEU HD22 H 1 0.51 0.01 . 2 . . . . . . . . 5209 1 857 . 1 1 156 156 LEU HD23 H 1 0.51 0.01 . 2 . . . . . . . . 5209 1 858 . 1 1 157 157 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5209 1 859 . 1 1 157 157 GLY N N 15 108.51 0.14 . 1 . . . . . . . . 5209 1 860 . 1 1 157 157 GLY CA C 13 43.88 0.27 . 1 . . . . . . . . 5209 1 861 . 1 1 159 159 THR C C 13 175.08 0.06 . 1 . . . . . . . . 5209 1 862 . 1 1 160 160 GLY H H 1 7.85 0.01 . 1 . . . . . . . . 5209 1 863 . 1 1 160 160 GLY N N 15 109.50 0.14 . 1 . . . . . . . . 5209 1 864 . 1 1 160 160 GLY CA C 13 45.06 0.27 . 1 . . . . . . . . 5209 1 865 . 1 1 161 161 VAL C C 13 177.67 0.06 . 1 . . . . . . . . 5209 1 866 . 1 1 162 162 ALA H H 1 8.96 0.01 . 1 . . . . . . . . 5209 1 867 . 1 1 162 162 ALA N N 15 134.87 0.14 . 1 . . . . . . . . 5209 1 868 . 1 1 162 162 ALA C C 13 177.44 0.06 . 1 . . . . . . . . 5209 1 869 . 1 1 162 162 ALA CA C 13 52.61 0.27 . 1 . . . . . . . . 5209 1 870 . 1 1 162 162 ALA CB C 13 17.90 0.27 . 1 . . . . . . . . 5209 1 871 . 1 1 163 163 GLY H H 1 8.83 0.01 . 1 . . . . . . . . 5209 1 872 . 1 1 163 163 GLY N N 15 107.18 0.14 . 1 . . . . . . . . 5209 1 873 . 1 1 163 163 GLY C C 13 173.08 0.06 . 1 . . . . . . . . 5209 1 874 . 1 1 163 163 GLY CA C 13 43.08 0.27 . 1 . . . . . . . . 5209 1 875 . 1 1 164 164 GLU H H 1 8.07 0.01 . 1 . . . . . . . . 5209 1 876 . 1 1 164 164 GLU N N 15 122.37 0.14 . 1 . . . . . . . . 5209 1 877 . 1 1 164 164 GLU CA C 13 53.98 0.27 . 1 . . . . . . . . 5209 1 878 . 1 1 164 164 GLU CB C 13 29.45 0.27 . 1 . . . . . . . . 5209 1 879 . 1 1 165 165 PRO C C 13 177.30 0.06 . 1 . . . . . . . . 5209 1 880 . 1 1 166 166 LEU H H 1 8.42 0.01 . 1 . . . . . . . . 5209 1 881 . 1 1 166 166 LEU N N 15 126.67 0.14 . 1 . . . . . . . . 5209 1 882 . 1 1 166 166 LEU CA C 13 52.23 0.27 . 1 . . . . . . . . 5209 1 883 . 1 1 166 166 LEU CB C 13 39.09 0.27 . 1 . . . . . . . . 5209 1 884 . 1 1 166 166 LEU CG C 13 25.96 0.11 . 1 . . . . . . . . 5209 1 885 . 1 1 166 166 LEU CD1 C 13 22.8 0.02 . 2 . . . . . . . . 5209 1 886 . 1 1 166 166 LEU HD11 H 1 1.03 0.01 . 2 . . . . . . . . 5209 1 887 . 1 1 166 166 LEU HD12 H 1 1.03 0.01 . 2 . . . . . . . . 5209 1 888 . 1 1 166 166 LEU HD13 H 1 1.03 0.01 . 2 . . . . . . . . 5209 1 889 . 1 1 166 166 LEU CD2 C 13 24.15 0.02 . 2 . . . . . . . . 5209 1 890 . 1 1 166 166 LEU HD21 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 891 . 1 1 166 166 LEU HD22 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 892 . 1 1 166 166 LEU HD23 H 1 0.3 0.01 . 2 . . . . . . . . 5209 1 893 . 1 1 167 167 PRO C C 13 177.88 0.06 . 1 . . . . . . . . 5209 1 894 . 1 1 168 168 VAL H H 1 9.24 0.01 . 1 . . . . . . . . 5209 1 895 . 1 1 168 168 VAL N N 15 126.07 0.14 . 1 . . . . . . . . 5209 1 896 . 1 1 168 168 VAL C C 13 175.43 0.06 . 1 . . . . . . . . 5209 1 897 . 1 1 168 168 VAL CA C 13 62.47 0.27 . 1 . . . . . . . . 5209 1 898 . 1 1 168 168 VAL CB C 13 35.06 0.27 . 1 . . . . . . . . 5209 1 899 . 1 1 168 168 VAL CG1 C 13 21.91 0.02 . 2 . . . . . . . . 5209 1 900 . 1 1 168 168 VAL HG11 H 1 1.13 0.01 . 2 . . . . . . . . 5209 1 901 . 1 1 168 168 VAL HG12 H 1 1.13 0.01 . 2 . . . . . . . . 5209 1 902 . 1 1 168 168 VAL HG13 H 1 1.13 0.01 . 2 . . . . . . . . 5209 1 903 . 1 1 168 168 VAL CG2 C 13 25.18 0.02 . 2 . . . . . . . . 5209 1 904 . 1 1 168 168 VAL HG21 H 1 1.27 0.01 . 2 . . . . . . . . 5209 1 905 . 1 1 168 168 VAL HG22 H 1 1.27 0.01 . 2 . . . . . . . . 5209 1 906 . 1 1 168 168 VAL HG23 H 1 1.27 0.01 . 2 . . . . . . . . 5209 1 907 . 1 1 169 169 ASP H H 1 10.03 0.01 . 1 . . . . . . . . 5209 1 908 . 1 1 169 169 ASP N N 15 129.15 0.14 . 1 . . . . . . . . 5209 1 909 . 1 1 169 169 ASP C C 13 173.60 0.06 . 1 . . . . . . . . 5209 1 910 . 1 1 169 169 ASP CB C 13 42.40 0.27 . 1 . . . . . . . . 5209 1 911 . 1 1 170 170 SER H H 1 7.48 0.01 . 1 . . . . . . . . 5209 1 912 . 1 1 170 170 SER N N 15 110.39 0.14 . 1 . . . . . . . . 5209 1 913 . 1 1 170 170 SER C C 13 174.34 0.06 . 1 . . . . . . . . 5209 1 914 . 1 1 170 170 SER CA C 13 56.63 0.27 . 1 . . . . . . . . 5209 1 915 . 1 1 170 170 SER CB C 13 64.36 0.27 . 1 . . . . . . . . 5209 1 916 . 1 1 171 171 GLU H H 1 9.17 0.01 . 1 . . . . . . . . 5209 1 917 . 1 1 171 171 GLU N N 15 118.69 0.14 . 1 . . . . . . . . 5209 1 918 . 1 1 171 171 GLU C C 13 179.55 0.06 . 1 . . . . . . . . 5209 1 919 . 1 1 171 171 GLU CA C 13 60.27 0.27 . 1 . . . . . . . . 5209 1 920 . 1 1 171 171 GLU CB C 13 31.29 0.27 . 1 . . . . . . . . 5209 1 921 . 1 1 172 172 GLN H H 1 8.89 0.01 . 1 . . . . . . . . 5209 1 922 . 1 1 172 172 GLN N N 15 118.38 0.14 . 1 . . . . . . . . 5209 1 923 . 1 1 172 172 GLN C C 13 177.93 0.06 . 1 . . . . . . . . 5209 1 924 . 1 1 172 172 GLN CA C 13 59.95 0.27 . 1 . . . . . . . . 5209 1 925 . 1 1 172 172 GLN CB C 13 26.30 0.27 . 1 . . . . . . . . 5209 1 926 . 1 1 173 173 ASP H H 1 7.75 0.01 . 1 . . . . . . . . 5209 1 927 . 1 1 173 173 ASP N N 15 118.22 0.14 . 1 . . . . . . . . 5209 1 928 . 1 1 173 173 ASP C C 13 177.53 0.06 . 1 . . . . . . . . 5209 1 929 . 1 1 173 173 ASP CB C 13 40.51 0.27 . 1 . . . . . . . . 5209 1 930 . 1 1 174 174 ILE H H 1 7.53 0.01 . 1 . . . . . . . . 5209 1 931 . 1 1 174 174 ILE N N 15 117.18 0.14 . 1 . . . . . . . . 5209 1 932 . 1 1 174 174 ILE C C 13 177.39 0.06 . 1 . . . . . . . . 5209 1 933 . 1 1 174 174 ILE CA C 13 66.15 0.27 . 1 . . . . . . . . 5209 1 934 . 1 1 174 174 ILE CG1 C 13 29.05 0.02 . 1 . . . . . . . . 5209 1 935 . 1 1 174 174 ILE CD1 C 13 15.87 0.02 . 1 . . . . . . . . 5209 1 936 . 1 1 174 174 ILE HD11 H 1 1.09 0.01 . 1 . . . . . . . . 5209 1 937 . 1 1 174 174 ILE HD12 H 1 1.09 0.01 . 1 . . . . . . . . 5209 1 938 . 1 1 174 174 ILE HD13 H 1 1.09 0.01 . 1 . . . . . . . . 5209 1 939 . 1 1 175 175 PHE H H 1 7.14 0.01 . 1 . . . . . . . . 5209 1 940 . 1 1 175 175 PHE N N 15 114.71 0.14 . 1 . . . . . . . . 5209 1 941 . 1 1 175 175 PHE C C 13 177.61 0.06 . 1 . . . . . . . . 5209 1 942 . 1 1 175 175 PHE CA C 13 62.21 0.27 . 1 . . . . . . . . 5209 1 943 . 1 1 176 176 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5209 1 944 . 1 1 176 176 ASP N N 15 118.61 0.14 . 1 . . . . . . . . 5209 1 945 . 1 1 176 176 ASP CA C 13 56.73 0.27 . 1 . . . . . . . . 5209 1 946 . 1 1 176 176 ASP CB C 13 38.88 0.27 . 1 . . . . . . . . 5209 1 947 . 1 1 177 177 TYR C C 13 179.07 0.06 . 1 . . . . . . . . 5209 1 948 . 1 1 178 178 ILE H H 1 6.84 0.01 . 1 . . . . . . . . 5209 1 949 . 1 1 178 178 ILE N N 15 106.37 0.14 . 1 . . . . . . . . 5209 1 950 . 1 1 178 178 ILE C C 13 172.79 0.06 . 1 . . . . . . . . 5209 1 951 . 1 1 178 178 ILE CA C 13 60.04 0.27 . 1 . . . . . . . . 5209 1 952 . 1 1 178 178 ILE CB C 13 37.03 0.27 . 1 . . . . . . . . 5209 1 953 . 1 1 178 178 ILE CG1 C 13 24.31 0.02 . 1 . . . . . . . . 5209 1 954 . 1 1 178 178 ILE CD1 C 13 14.78 0.02 . 1 . . . . . . . . 5209 1 955 . 1 1 178 178 ILE HD11 H 1 0.49 0.01 . 1 . . . . . . . . 5209 1 956 . 1 1 178 178 ILE HD12 H 1 0.49 0.01 . 1 . . . . . . . . 5209 1 957 . 1 1 178 178 ILE HD13 H 1 0.49 0.01 . 1 . . . . . . . . 5209 1 958 . 1 1 179 179 GLN H H 1 7.97 0.01 . 1 . . . . . . . . 5209 1 959 . 1 1 179 179 GLN N N 15 116.55 0.14 . 1 . . . . . . . . 5209 1 960 . 1 1 179 179 GLN C C 13 174.31 0.06 . 1 . . . . . . . . 5209 1 961 . 1 1 179 179 GLN CA C 13 56.34 0.27 . 1 . . . . . . . . 5209 1 962 . 1 1 179 179 GLN CB C 13 26.78 0.27 . 1 . . . . . . . . 5209 1 963 . 1 1 180 180 TRP H H 1 8.40 0.01 . 1 . . . . . . . . 5209 1 964 . 1 1 180 180 TRP N N 15 122.04 0.14 . 1 . . . . . . . . 5209 1 965 . 1 1 180 180 TRP C C 13 175.87 0.06 . 1 . . . . . . . . 5209 1 966 . 1 1 180 180 TRP CA C 13 53.24 0.27 . 1 . . . . . . . . 5209 1 967 . 1 1 180 180 TRP CB C 13 33.27 0.27 . 1 . . . . . . . . 5209 1 968 . 1 1 181 181 ARG H H 1 8.07 0.01 . 1 . . . . . . . . 5209 1 969 . 1 1 181 181 ARG N N 15 125.26 0.14 . 1 . . . . . . . . 5209 1 970 . 1 1 181 181 ARG C C 13 175.66 0.06 . 1 . . . . . . . . 5209 1 971 . 1 1 181 181 ARG CA C 13 56.27 0.27 . 1 . . . . . . . . 5209 1 972 . 1 1 181 181 ARG CB C 13 29.16 0.27 . 1 . . . . . . . . 5209 1 973 . 1 1 182 182 TYR H H 1 8.58 0.01 . 1 . . . . . . . . 5209 1 974 . 1 1 182 182 TYR N N 15 124.82 0.14 . 1 . . . . . . . . 5209 1 975 . 1 1 182 182 TYR CA C 13 59.63 0.27 . 1 . . . . . . . . 5209 1 976 . 1 1 182 182 TYR CB C 13 37.13 0.27 . 1 . . . . . . . . 5209 1 977 . 1 1 185 185 PRO C C 13 176.69 0.06 . 1 . . . . . . . . 5209 1 978 . 1 1 186 186 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 5209 1 979 . 1 1 186 186 LYS N N 15 111.99 0.14 . 1 . . . . . . . . 5209 1 980 . 1 1 186 186 LYS C C 13 176.65 0.06 . 1 . . . . . . . . 5209 1 981 . 1 1 186 186 LYS CA C 13 57.01 0.27 . 1 . . . . . . . . 5209 1 982 . 1 1 186 186 LYS CB C 13 30.13 0.27 . 1 . . . . . . . . 5209 1 983 . 1 1 187 187 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 5209 1 984 . 1 1 187 187 ASP N N 15 119.61 0.14 . 1 . . . . . . . . 5209 1 985 . 1 1 187 187 ASP C C 13 176.13 0.06 . 1 . . . . . . . . 5209 1 986 . 1 1 187 187 ASP CA C 13 53.72 0.27 . 1 . . . . . . . . 5209 1 987 . 1 1 187 187 ASP CB C 13 40.62 0.27 . 1 . . . . . . . . 5209 1 988 . 1 1 188 188 ARG H H 1 7.21 0.01 . 1 . . . . . . . . 5209 1 989 . 1 1 188 188 ARG N N 15 119.31 0.14 . 1 . . . . . . . . 5209 1 990 . 1 1 188 188 ARG C C 13 175.46 0.06 . 1 . . . . . . . . 5209 1 991 . 1 1 188 188 ARG CA C 13 54.95 0.27 . 1 . . . . . . . . 5209 1 992 . 1 1 188 188 ARG CB C 13 28.49 0.27 . 1 . . . . . . . . 5209 1 993 . 1 1 189 189 SER H H 1 7.94 0.01 . 1 . . . . . . . . 5209 1 994 . 1 1 189 189 SER N N 15 115.63 0.14 . 1 . . . . . . . . 5209 1 995 . 1 1 189 189 SER C C 13 175.54 0.06 . 1 . . . . . . . . 5209 1 996 . 1 1 189 189 SER CA C 13 60.58 0.27 . 1 . . . . . . . . 5209 1 997 . 1 1 189 189 SER CB C 13 61.71 0.27 . 1 . . . . . . . . 5209 1 998 . 1 1 190 190 GLU H H 1 7.83 0.01 . 1 . . . . . . . . 5209 1 999 . 1 1 190 190 GLU N N 15 126.04 0.14 . 1 . . . . . . . . 5209 1 1000 . 1 1 190 190 GLU CA C 13 57.22 0.27 . 1 . . . . . . . . 5209 1 1001 . 1 1 190 190 GLU CB C 13 31.16 0.27 . 1 . . . . . . . . 5209 1 stop_ save_