data_4885 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4885 _Entry.Title ; Backbone 1H, 15N and 13C Resonance Assignments of the NTPase Subdomain of the Hepatitis C Virus NS3 RNA Helicase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-25 _Entry.Accession_date 2000-10-25 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _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 Dingjiang Liu . . . 4885 2 Daniel Wyss . F. . 4885 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4885 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 119 4885 '13C chemical shifts' 356 4885 '15N chemical shifts' 119 4885 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 . . 2001-11-14 2000-10-25 original author . 4885 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4885 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21228260 _Citation.DOI . _Citation.PubMed_ID 11330818 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 15N and 13C Resonance Assignments of the NTPase Subdomain of the Hepatitis C Virus NS3 RNA Helicase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 3 _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 283 _Citation.Page_last 284 _Citation.Year 2001 _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 Dingjiang Liu . . . 4885 1 2 Daniel Wyss . . . 4885 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HCV 4885 1 NMR 4885 1 helicase 4885 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HCV_helicase _Assembly.Sf_category assembly _Assembly.Sf_framecode HCV_helicase _Assembly.Entry_ID 4885 _Assembly.ID 1 _Assembly.Name 'HCV NS3 RNA helicase' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomeric 4885 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 'HCV helicase NTPase domain' 1 $d1-HCVh . . . native . . . . . 4885 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HCV NS3 RNA helicase' system 4885 1 'HCV helicase' abbreviation 4885 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID NTPase 4885 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_d1-HCVh _Entity.Sf_category entity _Entity.Sf_framecode d1-HCVh _Entity.Entry_ID 4885 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HCV helicase' _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 ; SPVFTDNSSPPAVPQSFQVA HLHAPTGSGKSTKVPAAYAA QGYKVLVLNPSVAATLGFGA YMSKAHGVDPNIRTGVRTIT TGSPITYSTYGKFLADGGCS GGAYDIIICDECHSTDATSI LGIGTVLDQAETAGARLVVL ATAT ; _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 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A1V . "Hepatitis C Virus Ns3 Helicase Domain Complexed With Single Stranded Sdna" . . . . . 100.00 476 99.31 99.31 5.51e-91 . . . . 4885 1 2 no PDB 1HEI . "Structure Of The Hepatitis C Virus Rna Helicase Domain" . . . . . 100.00 451 100.00 100.00 4.62e-93 . . . . 4885 1 3 no PDB 4OJQ . "Crystal Structure Of Hepatitis C Virus Ns3 Helicase Inhibitor Co- Complex With Fragment 1 [(5-bromo-1h-indol-3-yl)acetic Acid]" . . . . . 100.00 464 100.00 100.00 9.39e-93 . . . . 4885 1 4 no PDB 4OK3 . "Crystal Structure Of Hepatitis C Virus Ns3 Helicase Inhibitor Co- Complex With Compound 7 [[1-(3-chlorobenzyl)-1h-indol-3-yl]ac" . . . . . 100.00 464 100.00 100.00 9.39e-93 . . . . 4885 1 5 no PDB 4OK5 . "Crystal Structure Of Hepatitis C Virus Ns3 Helicase Inhibitor Co- Complex With Compound 9 [1-(3-ethynylbenzyl)-1h-indol-3-yl]ac" . . . . . 100.00 464 100.00 100.00 9.39e-93 . . . . 4885 1 6 no PDB 4OK6 . "Crystal Structure Of Hepatitis C Virus Ns3 Helicase Inhibitor Co- Complex With Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1h-ind" . . . . . 100.00 464 100.00 100.00 9.39e-93 . . . . 4885 1 7 no PDB 4OKS . "Crystal Structure Of Hepatitis C Virus Ns3 Helicase Inhibitor Co- Complex With Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy" . . . . . 100.00 464 100.00 100.00 9.39e-93 . . . . 4885 1 8 no DBJ BAA01582 . "polyprotein precursor [Hepatitis C virus]" . . . . . 100.00 3011 98.61 100.00 1.34e-86 . . . . 4885 1 9 no DBJ BAA03178 . "NS3 protein [Hepatitis C virus]" . . . . . 90.28 284 96.92 99.23 8.54e-82 . . . . 4885 1 10 no DBJ BAA08120 . "HCV polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 97.92 100.00 6.10e-86 . . . . 4885 1 11 no DBJ BAA09073 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 97.22 99.31 3.07e-85 . . . . 4885 1 12 no DBJ BAA09075 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3010 97.22 99.31 3.01e-85 . . . . 4885 1 13 no EMBL CAC03609 . "unnamed protein product [Hepatitis C virus]" . . . . . 100.00 3011 98.61 100.00 1.74e-86 . . . . 4885 1 14 no EMBL CAJ20150 . "non structural protein 3 [Hepatitis C virus]" . . . . . 100.00 503 97.22 100.00 6.55e-90 . . . . 4885 1 15 no EMBL CAJ20155 . "non structural protein 3 [Hepatitis C virus]" . . . . . 100.00 503 98.61 100.00 2.65e-91 . . . . 4885 1 16 no EMBL CAJ20158 . "non structural protein 3 [Hepatitis C virus]" . . . . . 100.00 503 100.00 100.00 6.55e-92 . . . . 4885 1 17 no EMBL CAJ20165 . "non structural protein 3 [Hepatitis C virus]" . . . . . 100.00 503 97.92 99.31 4.64e-90 . . . . 4885 1 18 no GB AAA45534 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 100.00 3011 97.92 98.61 1.11e-84 . . . . 4885 1 19 no GB AAA45676 . "polyprotein [Hepatitis C virus subtype 1a]" . . . . . 100.00 3011 98.61 99.31 2.39e-86 . . . . 4885 1 20 no GB AAA45677 . "polyprotein, partial [Hepatitis C virus]" . . . . . 100.00 2436 98.61 99.31 1.69e-86 . . . . 4885 1 21 no GB AAB02124 . "NS3, partial [Hepatitis C virus]" . . . . . 98.61 428 100.00 100.00 1.56e-91 . . . . 4885 1 22 no GB AAB02125 . "polyprotein, partial [Hepatitis C virus]" . . . . . 98.61 428 97.89 100.00 1.65e-89 . . . . 4885 1 23 no REF NP_671491 . "polyprotein [Hepatitis C virus]" . . . . . 100.00 3011 100.00 100.00 4.80e-87 . . . . 4885 1 24 no REF NP_803144 . "NS3 protease/helicase' [Hepatitis C virus]" . . . . . 100.00 631 100.00 100.00 4.76e-91 . . . . 4885 1 25 no SP P26664 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 98.61 99.31 2.39e-86 . . . . 4885 1 26 no SP P27958 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 97.92 98.61 1.11e-84 . . . . 4885 1 27 no SP Q03463 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " . . . . . 100.00 3011 98.61 100.00 1.34e-86 . . . . 4885 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HCV helicase' common 4885 1 'NTPase domain of HCV RNA helicase' variant 4885 1 d1-HCVh abbreviation 4885 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 1 181 SER . 4885 1 2 182 PRO . 4885 1 3 183 VAL . 4885 1 4 184 PHE . 4885 1 5 185 THR . 4885 1 6 186 ASP . 4885 1 7 187 ASN . 4885 1 8 188 SER . 4885 1 9 189 SER . 4885 1 10 190 PRO . 4885 1 11 191 PRO . 4885 1 12 192 ALA . 4885 1 13 193 VAL . 4885 1 14 194 PRO . 4885 1 15 195 GLN . 4885 1 16 196 SER . 4885 1 17 197 PHE . 4885 1 18 198 GLN . 4885 1 19 199 VAL . 4885 1 20 200 ALA . 4885 1 21 201 HIS . 4885 1 22 202 LEU . 4885 1 23 203 HIS . 4885 1 24 204 ALA . 4885 1 25 205 PRO . 4885 1 26 206 THR . 4885 1 27 207 GLY . 4885 1 28 208 SER . 4885 1 29 209 GLY . 4885 1 30 210 LYS . 4885 1 31 211 SER . 4885 1 32 212 THR . 4885 1 33 213 LYS . 4885 1 34 214 VAL . 4885 1 35 215 PRO . 4885 1 36 216 ALA . 4885 1 37 217 ALA . 4885 1 38 218 TYR . 4885 1 39 219 ALA . 4885 1 40 220 ALA . 4885 1 41 221 GLN . 4885 1 42 222 GLY . 4885 1 43 223 TYR . 4885 1 44 224 LYS . 4885 1 45 225 VAL . 4885 1 46 226 LEU . 4885 1 47 227 VAL . 4885 1 48 228 LEU . 4885 1 49 229 ASN . 4885 1 50 230 PRO . 4885 1 51 231 SER . 4885 1 52 232 VAL . 4885 1 53 233 ALA . 4885 1 54 234 ALA . 4885 1 55 235 THR . 4885 1 56 236 LEU . 4885 1 57 237 GLY . 4885 1 58 238 PHE . 4885 1 59 239 GLY . 4885 1 60 240 ALA . 4885 1 61 241 TYR . 4885 1 62 242 MET . 4885 1 63 243 SER . 4885 1 64 244 LYS . 4885 1 65 245 ALA . 4885 1 66 246 HIS . 4885 1 67 247 GLY . 4885 1 68 248 VAL . 4885 1 69 249 ASP . 4885 1 70 250 PRO . 4885 1 71 251 ASN . 4885 1 72 252 ILE . 4885 1 73 253 ARG . 4885 1 74 254 THR . 4885 1 75 255 GLY . 4885 1 76 256 VAL . 4885 1 77 257 ARG . 4885 1 78 258 THR . 4885 1 79 259 ILE . 4885 1 80 260 THR . 4885 1 81 261 THR . 4885 1 82 262 GLY . 4885 1 83 263 SER . 4885 1 84 264 PRO . 4885 1 85 265 ILE . 4885 1 86 266 THR . 4885 1 87 267 TYR . 4885 1 88 268 SER . 4885 1 89 269 THR . 4885 1 90 270 TYR . 4885 1 91 271 GLY . 4885 1 92 272 LYS . 4885 1 93 273 PHE . 4885 1 94 274 LEU . 4885 1 95 275 ALA . 4885 1 96 276 ASP . 4885 1 97 277 GLY . 4885 1 98 278 GLY . 4885 1 99 279 CYS . 4885 1 100 280 SER . 4885 1 101 281 GLY . 4885 1 102 282 GLY . 4885 1 103 283 ALA . 4885 1 104 284 TYR . 4885 1 105 285 ASP . 4885 1 106 286 ILE . 4885 1 107 287 ILE . 4885 1 108 288 ILE . 4885 1 109 289 CYS . 4885 1 110 290 ASP . 4885 1 111 291 GLU . 4885 1 112 292 CYS . 4885 1 113 293 HIS . 4885 1 114 294 SER . 4885 1 115 295 THR . 4885 1 116 296 ASP . 4885 1 117 297 ALA . 4885 1 118 298 THR . 4885 1 119 299 SER . 4885 1 120 300 ILE . 4885 1 121 301 LEU . 4885 1 122 302 GLY . 4885 1 123 303 ILE . 4885 1 124 304 GLY . 4885 1 125 305 THR . 4885 1 126 306 VAL . 4885 1 127 307 LEU . 4885 1 128 308 ASP . 4885 1 129 309 GLN . 4885 1 130 310 ALA . 4885 1 131 311 GLU . 4885 1 132 312 THR . 4885 1 133 313 ALA . 4885 1 134 314 GLY . 4885 1 135 315 ALA . 4885 1 136 316 ARG . 4885 1 137 317 LEU . 4885 1 138 318 VAL . 4885 1 139 319 VAL . 4885 1 140 320 LEU . 4885 1 141 321 ALA . 4885 1 142 322 THR . 4885 1 143 323 ALA . 4885 1 144 324 THR . 4885 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 . SER 1 1 4885 1 . PRO 2 2 4885 1 . VAL 3 3 4885 1 . PHE 4 4 4885 1 . THR 5 5 4885 1 . ASP 6 6 4885 1 . ASN 7 7 4885 1 . SER 8 8 4885 1 . SER 9 9 4885 1 . PRO 10 10 4885 1 . PRO 11 11 4885 1 . ALA 12 12 4885 1 . VAL 13 13 4885 1 . PRO 14 14 4885 1 . GLN 15 15 4885 1 . SER 16 16 4885 1 . PHE 17 17 4885 1 . GLN 18 18 4885 1 . VAL 19 19 4885 1 . ALA 20 20 4885 1 . HIS 21 21 4885 1 . LEU 22 22 4885 1 . HIS 23 23 4885 1 . ALA 24 24 4885 1 . PRO 25 25 4885 1 . THR 26 26 4885 1 . GLY 27 27 4885 1 . SER 28 28 4885 1 . GLY 29 29 4885 1 . LYS 30 30 4885 1 . SER 31 31 4885 1 . THR 32 32 4885 1 . LYS 33 33 4885 1 . VAL 34 34 4885 1 . PRO 35 35 4885 1 . ALA 36 36 4885 1 . ALA 37 37 4885 1 . TYR 38 38 4885 1 . ALA 39 39 4885 1 . ALA 40 40 4885 1 . GLN 41 41 4885 1 . GLY 42 42 4885 1 . TYR 43 43 4885 1 . LYS 44 44 4885 1 . VAL 45 45 4885 1 . LEU 46 46 4885 1 . VAL 47 47 4885 1 . LEU 48 48 4885 1 . ASN 49 49 4885 1 . PRO 50 50 4885 1 . SER 51 51 4885 1 . VAL 52 52 4885 1 . ALA 53 53 4885 1 . ALA 54 54 4885 1 . THR 55 55 4885 1 . LEU 56 56 4885 1 . GLY 57 57 4885 1 . PHE 58 58 4885 1 . GLY 59 59 4885 1 . ALA 60 60 4885 1 . TYR 61 61 4885 1 . MET 62 62 4885 1 . SER 63 63 4885 1 . LYS 64 64 4885 1 . ALA 65 65 4885 1 . HIS 66 66 4885 1 . GLY 67 67 4885 1 . VAL 68 68 4885 1 . ASP 69 69 4885 1 . PRO 70 70 4885 1 . ASN 71 71 4885 1 . ILE 72 72 4885 1 . ARG 73 73 4885 1 . THR 74 74 4885 1 . GLY 75 75 4885 1 . VAL 76 76 4885 1 . ARG 77 77 4885 1 . THR 78 78 4885 1 . ILE 79 79 4885 1 . THR 80 80 4885 1 . THR 81 81 4885 1 . GLY 82 82 4885 1 . SER 83 83 4885 1 . PRO 84 84 4885 1 . ILE 85 85 4885 1 . THR 86 86 4885 1 . TYR 87 87 4885 1 . SER 88 88 4885 1 . THR 89 89 4885 1 . TYR 90 90 4885 1 . GLY 91 91 4885 1 . LYS 92 92 4885 1 . PHE 93 93 4885 1 . LEU 94 94 4885 1 . ALA 95 95 4885 1 . ASP 96 96 4885 1 . GLY 97 97 4885 1 . GLY 98 98 4885 1 . CYS 99 99 4885 1 . SER 100 100 4885 1 . GLY 101 101 4885 1 . GLY 102 102 4885 1 . ALA 103 103 4885 1 . TYR 104 104 4885 1 . ASP 105 105 4885 1 . ILE 106 106 4885 1 . ILE 107 107 4885 1 . ILE 108 108 4885 1 . CYS 109 109 4885 1 . ASP 110 110 4885 1 . GLU 111 111 4885 1 . CYS 112 112 4885 1 . HIS 113 113 4885 1 . SER 114 114 4885 1 . THR 115 115 4885 1 . ASP 116 116 4885 1 . ALA 117 117 4885 1 . THR 118 118 4885 1 . SER 119 119 4885 1 . ILE 120 120 4885 1 . LEU 121 121 4885 1 . GLY 122 122 4885 1 . ILE 123 123 4885 1 . GLY 124 124 4885 1 . THR 125 125 4885 1 . VAL 126 126 4885 1 . LEU 127 127 4885 1 . ASP 128 128 4885 1 . GLN 129 129 4885 1 . ALA 130 130 4885 1 . GLU 131 131 4885 1 . THR 132 132 4885 1 . ALA 133 133 4885 1 . GLY 134 134 4885 1 . ALA 135 135 4885 1 . ARG 136 136 4885 1 . LEU 137 137 4885 1 . VAL 138 138 4885 1 . VAL 139 139 4885 1 . LEU 140 140 4885 1 . ALA 141 141 4885 1 . THR 142 142 4885 1 . ALA 143 143 4885 1 . THR 144 144 4885 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4885 _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 $d1-HCVh . 31646 . . 'viruses hepatitis C virus' 'hepatitis C virus' . . viruses . viruses 'hepatitis C virus' 1a . . . . . . . . . . . . . . . . . . . . 4885 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 4885 _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 $d1-HCVh . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4885 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HCV helicase' '[U-15N; U-13C; U-2H]' . . 1 $d1-HCVh . . . 0.075 0.5 mM . . . . 4885 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4885 _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 7.4 0.1 n/a 4885 1 temperature 293 0.5 K 4885 1 'ionic strength' 0.1 0.02 M 4885 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4885 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4885 _Software.ID 2 _Software.Name NMRView _Software.Version 4.1.2 _Software.Details . 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 4885 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _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 4885 _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 UNITYplus . 600 . . . 4885 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 4885 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 4 HNCOCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 5 HNCOCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4885 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 4885 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY-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 4885 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY-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 4885 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 4885 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCOCA _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 4885 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCOCACB _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 4885 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4885 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 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_ #################### # 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 4885 _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 TSP 'methyl protons' . . . . ppm 0 external direct . external cylindrical parallel_to_Bo . . . . . . 4885 1 C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 4885 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 4885 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 4885 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . _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 . 4885 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 2 2 PRO CA C 13 62.34 . . 1 . . . . . . . . 4885 1 2 . 1 1 2 2 PRO CB C 13 30.83 . . 1 . . . . . . . . 4885 1 3 . 1 1 2 2 PRO C C 13 176.34 . . 1 . . . . . . . . 4885 1 4 . 1 1 3 3 VAL N N 15 119.26 . . 1 . . . . . . . . 4885 1 5 . 1 1 3 3 VAL H H 1 7.97 . . 1 . . . . . . . . 4885 1 6 . 1 1 3 3 VAL CA C 13 61.49 . . 1 . . . . . . . . 4885 1 7 . 1 1 3 3 VAL CB C 13 31.67 . . 1 . . . . . . . . 4885 1 8 . 1 1 3 3 VAL C C 13 175.65 . . 1 . . . . . . . . 4885 1 9 . 1 1 4 4 PHE N N 15 123.91 . . 1 . . . . . . . . 4885 1 10 . 1 1 4 4 PHE H H 1 8.34 . . 1 . . . . . . . . 4885 1 11 . 1 1 4 4 PHE CA C 13 56.71 . . 1 . . . . . . . . 4885 1 12 . 1 1 4 4 PHE CB C 13 38.99 . . 1 . . . . . . . . 4885 1 13 . 1 1 11 11 PRO CA C 13 62.35 . . 1 . . . . . . . . 4885 1 14 . 1 1 11 11 PRO CB C 13 29.98 . . 1 . . . . . . . . 4885 1 15 . 1 1 11 11 PRO C C 13 176.71 . . 1 . . . . . . . . 4885 1 16 . 1 1 12 12 ALA N N 15 125.13 . . 1 . . . . . . . . 4885 1 17 . 1 1 12 12 ALA H H 1 8.29 . . 1 . . . . . . . . 4885 1 18 . 1 1 12 12 ALA CA C 13 50.91 . . 1 . . . . . . . . 4885 1 19 . 1 1 12 12 ALA CB C 13 17.79 . . 1 . . . . . . . . 4885 1 20 . 1 1 12 12 ALA C C 13 177.09 . . 1 . . . . . . . . 4885 1 21 . 1 1 13 13 VAL N N 15 121.67 . . 1 . . . . . . . . 4885 1 22 . 1 1 13 13 VAL H H 1 8.32 . . 1 . . . . . . . . 4885 1 23 . 1 1 13 13 VAL CA C 13 60.15 . . 1 . . . . . . . . 4885 1 24 . 1 1 13 13 VAL CB C 13 30.34 . . 1 . . . . . . . . 4885 1 25 . 1 1 15 15 GLN N N 15 123.91 . . 1 . . . . . . . . 4885 1 26 . 1 1 15 15 GLN H H 1 8.34 . . 1 . . . . . . . . 4885 1 27 . 1 1 15 15 GLN CA C 13 56.57 . . 1 . . . . . . . . 4885 1 28 . 1 1 15 15 GLN CB C 13 27.87 . . 1 . . . . . . . . 4885 1 29 . 1 1 15 15 GLN C C 13 178.91 . . 1 . . . . . . . . 4885 1 30 . 1 1 16 16 SER N N 15 111.39 . . 1 . . . . . . . . 4885 1 31 . 1 1 16 16 SER H H 1 7.54 . . 1 . . . . . . . . 4885 1 32 . 1 1 16 16 SER CA C 13 55.94 . . 1 . . . . . . . . 4885 1 33 . 1 1 16 16 SER CB C 13 64.31 . . 1 . . . . . . . . 4885 1 34 . 1 1 16 16 SER C C 13 171.81 . . 1 . . . . . . . . 4885 1 35 . 1 1 17 17 PHE N N 15 119.38 . . 1 . . . . . . . . 4885 1 36 . 1 1 17 17 PHE H H 1 8.30 . . 1 . . . . . . . . 4885 1 37 . 1 1 17 17 PHE CA C 13 59.33 . . 1 . . . . . . . . 4885 1 38 . 1 1 17 17 PHE CB C 13 39.26 . . 1 . . . . . . . . 4885 1 39 . 1 1 17 17 PHE C C 13 175.19 . . 1 . . . . . . . . 4885 1 40 . 1 1 18 18 GLN N N 15 124.38 . . 1 . . . . . . . . 4885 1 41 . 1 1 18 18 GLN H H 1 6.70 . . 1 . . . . . . . . 4885 1 42 . 1 1 18 18 GLN CA C 13 53.13 . . 1 . . . . . . . . 4885 1 43 . 1 1 18 18 GLN CB C 13 33.05 . . 1 . . . . . . . . 4885 1 44 . 1 1 18 18 GLN C C 13 172.03 . . 1 . . . . . . . . 4885 1 45 . 1 1 19 19 VAL N N 15 119.53 . . 1 . . . . . . . . 4885 1 46 . 1 1 19 19 VAL H H 1 7.84 . . 1 . . . . . . . . 4885 1 47 . 1 1 19 19 VAL CA C 13 60.00 . . 1 . . . . . . . . 4885 1 48 . 1 1 19 19 VAL CB C 13 31.77 . . 1 . . . . . . . . 4885 1 49 . 1 1 19 19 VAL C C 13 175.23 . . 1 . . . . . . . . 4885 1 50 . 1 1 20 20 ALA N N 15 129.75 . . 1 . . . . . . . . 4885 1 51 . 1 1 20 20 ALA H H 1 9.21 . . 1 . . . . . . . . 4885 1 52 . 1 1 20 20 ALA CA C 13 49.13 . . 1 . . . . . . . . 4885 1 53 . 1 1 20 20 ALA CB C 13 21.95 . . 1 . . . . . . . . 4885 1 54 . 1 1 20 20 ALA C C 13 175.04 . . 1 . . . . . . . . 4885 1 55 . 1 1 21 21 HIS N N 15 119.64 . . 1 . . . . . . . . 4885 1 56 . 1 1 21 21 HIS H H 1 8.59 . . 1 . . . . . . . . 4885 1 57 . 1 1 21 21 HIS CA C 13 55.02 . . 1 . . . . . . . . 4885 1 58 . 1 1 21 21 HIS CB C 13 31.64 . . 1 . . . . . . . . 4885 1 59 . 1 1 21 21 HIS C C 13 174.46 . . 1 . . . . . . . . 4885 1 60 . 1 1 22 22 LEU N N 15 124.67 . . 1 . . . . . . . . 4885 1 61 . 1 1 22 22 LEU H H 1 8.50 . . 1 . . . . . . . . 4885 1 62 . 1 1 22 22 LEU CA C 13 53.04 . . 1 . . . . . . . . 4885 1 63 . 1 1 22 22 LEU CB C 13 44.66 . . 1 . . . . . . . . 4885 1 64 . 1 1 22 22 LEU C C 13 173.59 . . 1 . . . . . . . . 4885 1 65 . 1 1 23 23 HIS N N 15 127.54 . . 1 . . . . . . . . 4885 1 66 . 1 1 23 23 HIS H H 1 8.71 . . 1 . . . . . . . . 4885 1 67 . 1 1 23 23 HIS CA C 13 53.42 . . 1 . . . . . . . . 4885 1 68 . 1 1 23 23 HIS CB C 13 29.70 . . 1 . . . . . . . . 4885 1 69 . 1 1 23 23 HIS C C 13 174.18 . . 1 . . . . . . . . 4885 1 70 . 1 1 24 24 ALA N N 15 127.20 . . 1 . . . . . . . . 4885 1 71 . 1 1 24 24 ALA H H 1 8.39 . . 1 . . . . . . . . 4885 1 72 . 1 1 24 24 ALA CA C 13 48.81 . . 1 . . . . . . . . 4885 1 73 . 1 1 24 24 ALA CB C 13 19.42 . . 1 . . . . . . . . 4885 1 74 . 1 1 32 32 THR N N 15 109.18 . . 1 . . . . . . . . 4885 1 75 . 1 1 32 32 THR H H 1 7.48 . . 1 . . . . . . . . 4885 1 76 . 1 1 32 32 THR CA C 13 60.67 . . 1 . . . . . . . . 4885 1 77 . 1 1 32 32 THR C C 13 173.12 . . 1 . . . . . . . . 4885 1 78 . 1 1 33 33 LYS N N 15 123.64 . . 1 . . . . . . . . 4885 1 79 . 1 1 33 33 LYS H H 1 8.13 . . 1 . . . . . . . . 4885 1 80 . 1 1 33 33 LYS CA C 13 58.81 . . 1 . . . . . . . . 4885 1 81 . 1 1 33 33 LYS CB C 13 32.09 . . 1 . . . . . . . . 4885 1 82 . 1 1 33 33 LYS C C 13 178.59 . . 1 . . . . . . . . 4885 1 83 . 1 1 34 34 VAL N N 15 115.88 . . 1 . . . . . . . . 4885 1 84 . 1 1 34 34 VAL H H 1 7.79 . . 1 . . . . . . . . 4885 1 85 . 1 1 34 34 VAL CA C 13 67.10 . . 1 . . . . . . . . 4885 1 86 . 1 1 34 34 VAL CB C 13 27.89 . . 1 . . . . . . . . 4885 1 87 . 1 1 35 35 PRO CA C 13 65.15 . . 1 . . . . . . . . 4885 1 88 . 1 1 35 35 PRO CB C 13 29.14 . . 1 . . . . . . . . 4885 1 89 . 1 1 35 35 PRO C C 13 177.49 . . 1 . . . . . . . . 4885 1 90 . 1 1 36 36 ALA N N 15 116.10 . . 1 . . . . . . . . 4885 1 91 . 1 1 36 36 ALA H H 1 7.33 . . 1 . . . . . . . . 4885 1 92 . 1 1 36 36 ALA CA C 13 54.42 . . 1 . . . . . . . . 4885 1 93 . 1 1 36 36 ALA CB C 13 16.02 . . 1 . . . . . . . . 4885 1 94 . 1 1 36 36 ALA C C 13 179.66 . . 1 . . . . . . . . 4885 1 95 . 1 1 37 37 ALA N N 15 121.58 . . 1 . . . . . . . . 4885 1 96 . 1 1 37 37 ALA H H 1 7.83 . . 1 . . . . . . . . 4885 1 97 . 1 1 37 37 ALA CA C 13 53.70 . . 1 . . . . . . . . 4885 1 98 . 1 1 37 37 ALA CB C 13 16.59 . . 1 . . . . . . . . 4885 1 99 . 1 1 37 37 ALA C C 13 181.31 . . 1 . . . . . . . . 4885 1 100 . 1 1 38 38 TYR N N 15 116.21 . . 1 . . . . . . . . 4885 1 101 . 1 1 38 38 TYR H H 1 7.58 . . 1 . . . . . . . . 4885 1 102 . 1 1 38 38 TYR CA C 13 59.11 . . 1 . . . . . . . . 4885 1 103 . 1 1 38 38 TYR CB C 13 37.71 . . 1 . . . . . . . . 4885 1 104 . 1 1 38 38 TYR C C 13 179.44 . . 1 . . . . . . . . 4885 1 105 . 1 1 39 39 ALA N N 15 122.58 . . 1 . . . . . . . . 4885 1 106 . 1 1 39 39 ALA H H 1 8.57 . . 1 . . . . . . . . 4885 1 107 . 1 1 39 39 ALA CA C 13 53.48 . . 1 . . . . . . . . 4885 1 108 . 1 1 39 39 ALA CB C 13 16.72 . . 1 . . . . . . . . 4885 1 109 . 1 1 39 39 ALA C C 13 182.19 . . 1 . . . . . . . . 4885 1 110 . 1 1 40 40 ALA N N 15 121.68 . . 1 . . . . . . . . 4885 1 111 . 1 1 40 40 ALA H H 1 8.05 . . 1 . . . . . . . . 4885 1 112 . 1 1 40 40 ALA CA C 13 53.60 . . 1 . . . . . . . . 4885 1 113 . 1 1 40 40 ALA CB C 13 16.77 . . 1 . . . . . . . . 4885 1 114 . 1 1 40 40 ALA C C 13 178.99 . . 1 . . . . . . . . 4885 1 115 . 1 1 41 41 GLN N N 15 114.54 . . 1 . . . . . . . . 4885 1 116 . 1 1 41 41 GLN H H 1 7.32 . . 1 . . . . . . . . 4885 1 117 . 1 1 41 41 GLN CA C 13 55.00 . . 1 . . . . . . . . 4885 1 118 . 1 1 41 41 GLN CB C 13 29.04 . . 1 . . . . . . . . 4885 1 119 . 1 1 41 41 GLN C C 13 175.63 . . 1 . . . . . . . . 4885 1 120 . 1 1 42 42 GLY N N 15 104.92 . . 1 . . . . . . . . 4885 1 121 . 1 1 42 42 GLY H H 1 7.74 . . 1 . . . . . . . . 4885 1 122 . 1 1 42 42 GLY CA C 13 44.20 . . 1 . . . . . . . . 4885 1 123 . 1 1 42 42 GLY C C 13 174.06 . . 1 . . . . . . . . 4885 1 124 . 1 1 43 43 TYR N N 15 117.74 . . 1 . . . . . . . . 4885 1 125 . 1 1 43 43 TYR H H 1 7.07 . . 1 . . . . . . . . 4885 1 126 . 1 1 43 43 TYR CA C 13 56.97 . . 1 . . . . . . . . 4885 1 127 . 1 1 43 43 TYR CB C 13 39.08 . . 1 . . . . . . . . 4885 1 128 . 1 1 43 43 TYR C C 13 174.60 . . 1 . . . . . . . . 4885 1 129 . 1 1 44 44 LYS N N 15 120.51 . . 1 . . . . . . . . 4885 1 130 . 1 1 44 44 LYS H H 1 9.71 . . 1 . . . . . . . . 4885 1 131 . 1 1 44 44 LYS CA C 13 55.13 . . 1 . . . . . . . . 4885 1 132 . 1 1 44 44 LYS CB C 13 31.93 . . 1 . . . . . . . . 4885 1 133 . 1 1 44 44 LYS C C 13 171.97 . . 1 . . . . . . . . 4885 1 134 . 1 1 45 45 VAL N N 15 125.14 . . 1 . . . . . . . . 4885 1 135 . 1 1 45 45 VAL H H 1 8.97 . . 1 . . . . . . . . 4885 1 136 . 1 1 45 45 VAL CA C 13 59.83 . . 1 . . . . . . . . 4885 1 137 . 1 1 45 45 VAL CB C 13 34.93 . . 1 . . . . . . . . 4885 1 138 . 1 1 45 45 VAL C C 13 172.25 . . 1 . . . . . . . . 4885 1 139 . 1 1 46 46 LEU N N 15 129.34 . . 1 . . . . . . . . 4885 1 140 . 1 1 46 46 LEU H H 1 8.37 . . 1 . . . . . . . . 4885 1 141 . 1 1 46 46 LEU CA C 13 51.52 . . 1 . . . . . . . . 4885 1 142 . 1 1 46 46 LEU CB C 13 41.77 . . 1 . . . . . . . . 4885 1 143 . 1 1 46 46 LEU C C 13 173.88 . . 1 . . . . . . . . 4885 1 144 . 1 1 47 47 VAL N N 15 126.21 . . 1 . . . . . . . . 4885 1 145 . 1 1 47 47 VAL H H 1 8.87 . . 1 . . . . . . . . 4885 1 146 . 1 1 47 47 VAL CA C 13 59.83 . . 1 . . . . . . . . 4885 1 147 . 1 1 47 47 VAL CB C 13 31.26 . . 1 . . . . . . . . 4885 1 148 . 1 1 47 47 VAL C C 13 174.74 . . 1 . . . . . . . . 4885 1 149 . 1 1 48 48 LEU N N 15 126.51 . . 1 . . . . . . . . 4885 1 150 . 1 1 48 48 LEU H H 1 8.73 . . 1 . . . . . . . . 4885 1 151 . 1 1 48 48 LEU CA C 13 51.46 . . 1 . . . . . . . . 4885 1 152 . 1 1 48 48 LEU CB C 13 43.40 . . 1 . . . . . . . . 4885 1 153 . 1 1 48 48 LEU C C 13 174.54 . . 1 . . . . . . . . 4885 1 154 . 1 1 49 49 ASN N N 15 117.17 . . 1 . . . . . . . . 4885 1 155 . 1 1 49 49 ASN H H 1 7.63 . . 1 . . . . . . . . 4885 1 156 . 1 1 49 49 ASN CA C 13 50.25 . . 1 . . . . . . . . 4885 1 157 . 1 1 49 49 ASN CB C 13 43.41 . . 1 . . . . . . . . 4885 1 158 . 1 1 50 50 PRO CA C 13 64.34 . . 1 . . . . . . . . 4885 1 159 . 1 1 50 50 PRO CB C 13 32.09 . . 1 . . . . . . . . 4885 1 160 . 1 1 50 50 PRO C C 13 177.28 . . 1 . . . . . . . . 4885 1 161 . 1 1 51 51 SER N N 15 110.02 . . 1 . . . . . . . . 4885 1 162 . 1 1 51 51 SER H H 1 8.73 . . 1 . . . . . . . . 4885 1 163 . 1 1 51 51 SER CA C 13 55.47 . . 1 . . . . . . . . 4885 1 164 . 1 1 51 51 SER CB C 13 63.60 . . 1 . . . . . . . . 4885 1 165 . 1 1 52 52 VAL CA C 13 66.13 . . 1 . . . . . . . . 4885 1 166 . 1 1 52 52 VAL C C 13 176.64 . . 1 . . . . . . . . 4885 1 167 . 1 1 53 53 ALA N N 15 120.54 . . 1 . . . . . . . . 4885 1 168 . 1 1 53 53 ALA H H 1 8.20 . . 1 . . . . . . . . 4885 1 169 . 1 1 53 53 ALA CA C 13 54.42 . . 1 . . . . . . . . 4885 1 170 . 1 1 53 53 ALA CB C 13 17.12 . . 1 . . . . . . . . 4885 1 171 . 1 1 53 53 ALA C C 13 181.29 . . 1 . . . . . . . . 4885 1 172 . 1 1 54 54 ALA N N 15 120.22 . . 1 . . . . . . . . 4885 1 173 . 1 1 54 54 ALA H H 1 7.99 . . 1 . . . . . . . . 4885 1 174 . 1 1 54 54 ALA CA C 13 53.51 . . 1 . . . . . . . . 4885 1 175 . 1 1 54 54 ALA CB C 13 16.35 . . 1 . . . . . . . . 4885 1 176 . 1 1 54 54 ALA C C 13 178.70 . . 1 . . . . . . . . 4885 1 177 . 1 1 55 55 THR N N 15 115.14 . . 1 . . . . . . . . 4885 1 178 . 1 1 55 55 THR H H 1 7.49 . . 1 . . . . . . . . 4885 1 179 . 1 1 55 55 THR CA C 13 67.37 . . 1 . . . . . . . . 4885 1 180 . 1 1 55 55 THR C C 13 175.60 . . 1 . . . . . . . . 4885 1 181 . 1 1 56 56 LEU N N 15 116.81 . . 1 . . . . . . . . 4885 1 182 . 1 1 56 56 LEU H H 1 8.20 . . 1 . . . . . . . . 4885 1 183 . 1 1 56 56 LEU CA C 13 56.82 . . 1 . . . . . . . . 4885 1 184 . 1 1 56 56 LEU CB C 13 39.99 . . 1 . . . . . . . . 4885 1 185 . 1 1 56 56 LEU C C 13 180.98 . . 1 . . . . . . . . 4885 1 186 . 1 1 57 57 GLY N N 15 107.20 . . 1 . . . . . . . . 4885 1 187 . 1 1 57 57 GLY H H 1 7.89 . . 1 . . . . . . . . 4885 1 188 . 1 1 57 57 GLY CA C 13 45.77 . . 1 . . . . . . . . 4885 1 189 . 1 1 57 57 GLY C C 13 176.71 . . 1 . . . . . . . . 4885 1 190 . 1 1 58 58 PHE N N 15 121.69 . . 1 . . . . . . . . 4885 1 191 . 1 1 58 58 PHE H H 1 8.17 . . 1 . . . . . . . . 4885 1 192 . 1 1 58 58 PHE CA C 13 59.04 . . 1 . . . . . . . . 4885 1 193 . 1 1 58 58 PHE CB C 13 37.03 . . 1 . . . . . . . . 4885 1 194 . 1 1 58 58 PHE C C 13 178.59 . . 1 . . . . . . . . 4885 1 195 . 1 1 59 59 GLY N N 15 103.80 . . 1 . . . . . . . . 4885 1 196 . 1 1 59 59 GLY H H 1 7.46 . . 1 . . . . . . . . 4885 1 197 . 1 1 59 59 GLY CA C 13 47.23 . . 1 . . . . . . . . 4885 1 198 . 1 1 59 59 GLY C C 13 175.08 . . 1 . . . . . . . . 4885 1 199 . 1 1 60 60 ALA N N 15 122.67 . . 1 . . . . . . . . 4885 1 200 . 1 1 60 60 ALA H H 1 7.77 . . 1 . . . . . . . . 4885 1 201 . 1 1 60 60 ALA CA C 13 53.96 . . 1 . . . . . . . . 4885 1 202 . 1 1 60 60 ALA CB C 13 17.36 . . 1 . . . . . . . . 4885 1 203 . 1 1 60 60 ALA C C 13 180.25 . . 1 . . . . . . . . 4885 1 204 . 1 1 61 61 TYR N N 15 118.35 . . 1 . . . . . . . . 4885 1 205 . 1 1 61 61 TYR H H 1 8.01 . . 1 . . . . . . . . 4885 1 206 . 1 1 61 61 TYR CA C 13 60.79 . . 1 . . . . . . . . 4885 1 207 . 1 1 61 61 TYR CB C 13 37.72 . . 1 . . . . . . . . 4885 1 208 . 1 1 62 62 MET N N 15 117.19 . . 1 . . . . . . . . 4885 1 209 . 1 1 62 62 MET H H 1 8.56 . . 1 . . . . . . . . 4885 1 210 . 1 1 62 62 MET CA C 13 57.02 . . 1 . . . . . . . . 4885 1 211 . 1 1 62 62 MET CB C 13 29.92 . . 1 . . . . . . . . 4885 1 212 . 1 1 62 62 MET C C 13 179.32 . . 1 . . . . . . . . 4885 1 213 . 1 1 63 63 SER N N 15 115.21 . . 1 . . . . . . . . 4885 1 214 . 1 1 63 63 SER H H 1 7.70 . . 1 . . . . . . . . 4885 1 215 . 1 1 63 63 SER CA C 13 60.96 . . 1 . . . . . . . . 4885 1 216 . 1 1 63 63 SER CB C 13 62.65 . . 1 . . . . . . . . 4885 1 217 . 1 1 63 63 SER C C 13 177.09 . . 1 . . . . . . . . 4885 1 218 . 1 1 64 64 LYS N N 15 119.07 . . 1 . . . . . . . . 4885 1 219 . 1 1 64 64 LYS H H 1 7.40 . . 1 . . . . . . . . 4885 1 220 . 1 1 64 64 LYS CA C 13 57.29 . . 1 . . . . . . . . 4885 1 221 . 1 1 64 64 LYS CB C 13 31.78 . . 1 . . . . . . . . 4885 1 222 . 1 1 64 64 LYS C C 13 177.86 . . 1 . . . . . . . . 4885 1 223 . 1 1 65 65 ALA N N 15 118.47 . . 1 . . . . . . . . 4885 1 224 . 1 1 65 65 ALA H H 1 8.48 . . 1 . . . . . . . . 4885 1 225 . 1 1 65 65 ALA CA C 13 52.72 . . 1 . . . . . . . . 4885 1 226 . 1 1 65 65 ALA CB C 13 18.62 . . 1 . . . . . . . . 4885 1 227 . 1 1 65 65 ALA C C 13 175.68 . . 1 . . . . . . . . 4885 1 228 . 1 1 66 66 HIS N N 15 111.39 . . 1 . . . . . . . . 4885 1 229 . 1 1 66 66 HIS H H 1 7.54 . . 1 . . . . . . . . 4885 1 230 . 1 1 66 66 HIS CA C 13 54.69 . . 1 . . . . . . . . 4885 1 231 . 1 1 66 66 HIS CB C 13 30.79 . . 1 . . . . . . . . 4885 1 232 . 1 1 66 66 HIS C C 13 175.69 . . 1 . . . . . . . . 4885 1 233 . 1 1 67 67 GLY N N 15 108.65 . . 1 . . . . . . . . 4885 1 234 . 1 1 67 67 GLY H H 1 7.41 . . 1 . . . . . . . . 4885 1 235 . 1 1 67 67 GLY CA C 13 46.23 . . 1 . . . . . . . . 4885 1 236 . 1 1 67 67 GLY C C 13 173.81 . . 1 . . . . . . . . 4885 1 237 . 1 1 68 68 VAL N N 15 118.01 . . 1 . . . . . . . . 4885 1 238 . 1 1 68 68 VAL H H 1 7.13 . . 1 . . . . . . . . 4885 1 239 . 1 1 68 68 VAL CA C 13 59.42 . . 1 . . . . . . . . 4885 1 240 . 1 1 68 68 VAL CB C 13 34.11 . . 1 . . . . . . . . 4885 1 241 . 1 1 68 68 VAL C C 13 172.75 . . 1 . . . . . . . . 4885 1 242 . 1 1 69 69 ASP N N 15 124.85 . . 1 . . . . . . . . 4885 1 243 . 1 1 69 69 ASP H H 1 8.26 . . 1 . . . . . . . . 4885 1 244 . 1 1 69 69 ASP CA C 13 49.59 . . 1 . . . . . . . . 4885 1 245 . 1 1 69 69 ASP CB C 13 40.11 . . 1 . . . . . . . . 4885 1 246 . 1 1 70 70 PRO CA C 13 61.22 . . 1 . . . . . . . . 4885 1 247 . 1 1 70 70 PRO CB C 13 31.53 . . 1 . . . . . . . . 4885 1 248 . 1 1 70 70 PRO C C 13 176.01 . . 1 . . . . . . . . 4885 1 249 . 1 1 71 71 ASN N N 15 122.84 . . 1 . . . . . . . . 4885 1 250 . 1 1 71 71 ASN H H 1 9.28 . . 1 . . . . . . . . 4885 1 251 . 1 1 71 71 ASN CA C 13 53.23 . . 1 . . . . . . . . 4885 1 252 . 1 1 71 71 ASN CB C 13 38.56 . . 1 . . . . . . . . 4885 1 253 . 1 1 71 71 ASN C C 13 175.70 . . 1 . . . . . . . . 4885 1 254 . 1 1 72 72 ILE N N 15 124.91 . . 1 . . . . . . . . 4885 1 255 . 1 1 72 72 ILE H H 1 9.40 . . 1 . . . . . . . . 4885 1 256 . 1 1 72 72 ILE CA C 13 58.70 . . 1 . . . . . . . . 4885 1 257 . 1 1 72 72 ILE CB C 13 39.77 . . 1 . . . . . . . . 4885 1 258 . 1 1 72 72 ILE C C 13 175.62 . . 1 . . . . . . . . 4885 1 259 . 1 1 73 73 ARG N N 15 111.59 . . 1 . . . . . . . . 4885 1 260 . 1 1 73 73 ARG H H 1 7.75 . . 1 . . . . . . . . 4885 1 261 . 1 1 73 73 ARG CA C 13 54.82 . . 1 . . . . . . . . 4885 1 262 . 1 1 73 73 ARG CB C 13 30.25 . . 1 . . . . . . . . 4885 1 263 . 1 1 73 73 ARG C C 13 173.73 . . 1 . . . . . . . . 4885 1 264 . 1 1 74 74 THR N N 15 115.87 . . 1 . . . . . . . . 4885 1 265 . 1 1 74 74 THR H H 1 7.79 . . 1 . . . . . . . . 4885 1 266 . 1 1 74 74 THR CA C 13 59.16 . . 1 . . . . . . . . 4885 1 267 . 1 1 74 74 THR CB C 13 72.73 . . 1 . . . . . . . . 4885 1 268 . 1 1 75 75 GLY CA C 13 45.73 . . 1 . . . . . . . . 4885 1 269 . 1 1 76 76 VAL N N 15 111.97 . . 1 . . . . . . . . 4885 1 270 . 1 1 76 76 VAL H H 1 7.28 . . 1 . . . . . . . . 4885 1 271 . 1 1 76 76 VAL CA C 13 61.37 . . 1 . . . . . . . . 4885 1 272 . 1 1 76 76 VAL CB C 13 31.81 . . 1 . . . . . . . . 4885 1 273 . 1 1 76 76 VAL C C 13 175.48 . . 1 . . . . . . . . 4885 1 274 . 1 1 77 77 ARG N N 15 119.53 . . 1 . . . . . . . . 4885 1 275 . 1 1 77 77 ARG H H 1 7.22 . . 1 . . . . . . . . 4885 1 276 . 1 1 77 77 ARG CA C 13 55.80 . . 1 . . . . . . . . 4885 1 277 . 1 1 77 77 ARG CB C 13 31.25 . . 1 . . . . . . . . 4885 1 278 . 1 1 78 78 THR CA C 13 60.51 . . 1 . . . . . . . . 4885 1 279 . 1 1 78 78 THR CB C 13 70.23 . . 1 . . . . . . . . 4885 1 280 . 1 1 78 78 THR C C 13 173.32 . . 1 . . . . . . . . 4885 1 281 . 1 1 79 79 ILE N N 15 127.11 . . 1 . . . . . . . . 4885 1 282 . 1 1 79 79 ILE H H 1 9.69 . . 1 . . . . . . . . 4885 1 283 . 1 1 79 79 ILE CA C 13 59.99 . . 1 . . . . . . . . 4885 1 284 . 1 1 79 79 ILE CB C 13 40.23 . . 1 . . . . . . . . 4885 1 285 . 1 1 80 80 THR CA C 13 59.83 . . 1 . . . . . . . . 4885 1 286 . 1 1 80 80 THR CB C 13 68.53 . . 1 . . . . . . . . 4885 1 287 . 1 1 80 80 THR C C 13 174.59 . . 1 . . . . . . . . 4885 1 288 . 1 1 81 81 THR N N 15 116.87 . . 1 . . . . . . . . 4885 1 289 . 1 1 81 81 THR H H 1 9.27 . . 1 . . . . . . . . 4885 1 290 . 1 1 81 81 THR CA C 13 59.80 . . 1 . . . . . . . . 4885 1 291 . 1 1 81 81 THR CB C 13 69.23 . . 1 . . . . . . . . 4885 1 292 . 1 1 81 81 THR C C 13 176.51 . . 1 . . . . . . . . 4885 1 293 . 1 1 82 82 GLY N N 15 109.96 . . 1 . . . . . . . . 4885 1 294 . 1 1 82 82 GLY H H 1 8.41 . . 1 . . . . . . . . 4885 1 295 . 1 1 82 82 GLY CA C 13 44.31 . . 1 . . . . . . . . 4885 1 296 . 1 1 82 82 GLY C C 13 174.06 . . 1 . . . . . . . . 4885 1 297 . 1 1 83 83 SER N N 15 114.88 . . 1 . . . . . . . . 4885 1 298 . 1 1 83 83 SER H H 1 7.53 . . 1 . . . . . . . . 4885 1 299 . 1 1 83 83 SER CA C 13 55.49 . . 1 . . . . . . . . 4885 1 300 . 1 1 83 83 SER CB C 13 64.02 . . 1 . . . . . . . . 4885 1 301 . 1 1 84 84 PRO CA C 13 63.46 . . 1 . . . . . . . . 4885 1 302 . 1 1 84 84 PRO CB C 13 31.39 . . 1 . . . . . . . . 4885 1 303 . 1 1 84 84 PRO C C 13 175.89 . . 1 . . . . . . . . 4885 1 304 . 1 1 85 85 ILE N N 15 119.26 . . 1 . . . . . . . . 4885 1 305 . 1 1 85 85 ILE H H 1 8.01 . . 1 . . . . . . . . 4885 1 306 . 1 1 85 85 ILE CA C 13 59.60 . . 1 . . . . . . . . 4885 1 307 . 1 1 85 85 ILE CB C 13 39.23 . . 1 . . . . . . . . 4885 1 308 . 1 1 85 85 ILE C C 13 174.63 . . 1 . . . . . . . . 4885 1 309 . 1 1 86 86 THR N N 15 123.93 . . 1 . . . . . . . . 4885 1 310 . 1 1 86 86 THR H H 1 8.92 . . 1 . . . . . . . . 4885 1 311 . 1 1 86 86 THR CA C 13 60.17 . . 1 . . . . . . . . 4885 1 312 . 1 1 86 86 THR CB C 13 69.93 . . 1 . . . . . . . . 4885 1 313 . 1 1 86 86 THR C C 13 178.11 . . 1 . . . . . . . . 4885 1 314 . 1 1 87 87 TYR N N 15 125.14 . . 1 . . . . . . . . 4885 1 315 . 1 1 87 87 TYR H H 1 8.97 . . 1 . . . . . . . . 4885 1 316 . 1 1 87 87 TYR CA C 13 56.47 . . 1 . . . . . . . . 4885 1 317 . 1 1 87 87 TYR CB C 13 39.23 . . 1 . . . . . . . . 4885 1 318 . 1 1 87 87 TYR C C 13 174.77 . . 1 . . . . . . . . 4885 1 319 . 1 1 88 88 SER N N 15 114.69 . . 1 . . . . . . . . 4885 1 320 . 1 1 88 88 SER H H 1 8.98 . . 1 . . . . . . . . 4885 1 321 . 1 1 88 88 SER CA C 13 53.82 . . 1 . . . . . . . . 4885 1 322 . 1 1 88 88 SER CB C 13 65.01 . . 1 . . . . . . . . 4885 1 323 . 1 1 88 88 SER C C 13 174.59 . . 1 . . . . . . . . 4885 1 324 . 1 1 89 89 THR N N 15 112.40 . . 1 . . . . . . . . 4885 1 325 . 1 1 89 89 THR H H 1 7.56 . . 1 . . . . . . . . 4885 1 326 . 1 1 89 89 THR CA C 13 59.17 . . 1 . . . . . . . . 4885 1 327 . 1 1 89 89 THR CB C 13 68.93 . . 1 . . . . . . . . 4885 1 328 . 1 1 89 89 THR C C 13 179.12 . . 1 . . . . . . . . 4885 1 329 . 1 1 90 90 TYR N N 15 120.90 . . 1 . . . . . . . . 4885 1 330 . 1 1 90 90 TYR H H 1 7.53 . . 1 . . . . . . . . 4885 1 331 . 1 1 90 90 TYR CA C 13 63.11 . . 1 . . . . . . . . 4885 1 332 . 1 1 90 90 TYR CB C 13 37.11 . . 1 . . . . . . . . 4885 1 333 . 1 1 90 90 TYR C C 13 178.33 . . 1 . . . . . . . . 4885 1 334 . 1 1 91 91 GLY N N 15 104.30 . . 1 . . . . . . . . 4885 1 335 . 1 1 91 91 GLY H H 1 9.24 . . 1 . . . . . . . . 4885 1 336 . 1 1 91 91 GLY CA C 13 46.90 . . 1 . . . . . . . . 4885 1 337 . 1 1 91 91 GLY C C 13 176.31 . . 1 . . . . . . . . 4885 1 338 . 1 1 92 92 LYS N N 15 124.35 . . 1 . . . . . . . . 4885 1 339 . 1 1 92 92 LYS H H 1 8.09 . . 1 . . . . . . . . 4885 1 340 . 1 1 92 92 LYS CA C 13 56.10 . . 1 . . . . . . . . 4885 1 341 . 1 1 92 92 LYS CB C 13 31.10 . . 1 . . . . . . . . 4885 1 342 . 1 1 92 92 LYS C C 13 176.64 . . 1 . . . . . . . . 4885 1 343 . 1 1 93 93 PHE N N 15 119.80 . . 1 . . . . . . . . 4885 1 344 . 1 1 93 93 PHE H H 1 7.64 . . 1 . . . . . . . . 4885 1 345 . 1 1 93 93 PHE CA C 13 59.63 . . 1 . . . . . . . . 4885 1 346 . 1 1 93 93 PHE CB C 13 38.60 . . 1 . . . . . . . . 4885 1 347 . 1 1 93 93 PHE C C 13 178.25 . . 1 . . . . . . . . 4885 1 348 . 1 1 94 94 LEU N N 15 118.93 . . 1 . . . . . . . . 4885 1 349 . 1 1 94 94 LEU H H 1 8.06 . . 1 . . . . . . . . 4885 1 350 . 1 1 94 94 LEU CA C 13 56.88 . . 1 . . . . . . . . 4885 1 351 . 1 1 94 94 LEU CB C 13 40.21 . . 1 . . . . . . . . 4885 1 352 . 1 1 94 94 LEU C C 13 180.97 . . 1 . . . . . . . . 4885 1 353 . 1 1 95 95 ALA N N 15 124.46 . . 1 . . . . . . . . 4885 1 354 . 1 1 95 95 ALA H H 1 8.01 . . 1 . . . . . . . . 4885 1 355 . 1 1 95 95 ALA CA C 13 54.13 . . 1 . . . . . . . . 4885 1 356 . 1 1 95 95 ALA CB C 13 16.90 . . 1 . . . . . . . . 4885 1 357 . 1 1 95 95 ALA C C 13 179.23 . . 1 . . . . . . . . 4885 1 358 . 1 1 96 96 ASP N N 15 116.55 . . 1 . . . . . . . . 4885 1 359 . 1 1 96 96 ASP H H 1 8.07 . . 1 . . . . . . . . 4885 1 360 . 1 1 96 96 ASP CA C 13 54.01 . . 1 . . . . . . . . 4885 1 361 . 1 1 96 96 ASP CB C 13 40.41 . . 1 . . . . . . . . 4885 1 362 . 1 1 96 96 ASP C C 13 176.14 . . 1 . . . . . . . . 4885 1 363 . 1 1 97 97 GLY N N 15 105.55 . . 1 . . . . . . . . 4885 1 364 . 1 1 97 97 GLY H H 1 7.53 . . 1 . . . . . . . . 4885 1 365 . 1 1 97 97 GLY CA C 13 43.90 . . 1 . . . . . . . . 4885 1 366 . 1 1 97 97 GLY C C 13 175.13 . . 1 . . . . . . . . 4885 1 367 . 1 1 98 98 GLY N N 15 109.45 . . 1 . . . . . . . . 4885 1 368 . 1 1 98 98 GLY H H 1 7.91 . . 1 . . . . . . . . 4885 1 369 . 1 1 98 98 GLY CA C 13 43.81 . . 1 . . . . . . . . 4885 1 370 . 1 1 98 98 GLY C C 13 175.69 . . 1 . . . . . . . . 4885 1 371 . 1 1 99 99 CYS N N 15 123.44 . . 1 . . . . . . . . 4885 1 372 . 1 1 99 99 CYS H H 1 8.97 . . 1 . . . . . . . . 4885 1 373 . 1 1 99 99 CYS CA C 13 60.97 . . 1 . . . . . . . . 4885 1 374 . 1 1 99 99 CYS CB C 13 27.37 . . 1 . . . . . . . . 4885 1 375 . 1 1 99 99 CYS C C 13 174.77 . . 1 . . . . . . . . 4885 1 376 . 1 1 100 100 SER N N 15 115.06 . . 1 . . . . . . . . 4885 1 377 . 1 1 100 100 SER H H 1 7.98 . . 1 . . . . . . . . 4885 1 378 . 1 1 100 100 SER CA C 13 58.28 . . 1 . . . . . . . . 4885 1 379 . 1 1 100 100 SER CB C 13 62.51 . . 1 . . . . . . . . 4885 1 380 . 1 1 100 100 SER C C 13 175.32 . . 1 . . . . . . . . 4885 1 381 . 1 1 101 101 GLY N N 15 110.51 . . 1 . . . . . . . . 4885 1 382 . 1 1 101 101 GLY H H 1 8.26 . . 1 . . . . . . . . 4885 1 383 . 1 1 101 101 GLY CA C 13 45.55 . . 1 . . . . . . . . 4885 1 384 . 1 1 101 101 GLY C C 13 174.75 . . 1 . . . . . . . . 4885 1 385 . 1 1 102 102 GLY N N 15 109.61 . . 1 . . . . . . . . 4885 1 386 . 1 1 102 102 GLY H H 1 7.97 . . 1 . . . . . . . . 4885 1 387 . 1 1 102 102 GLY CA C 13 44.76 . . 1 . . . . . . . . 4885 1 388 . 1 1 102 102 GLY C C 13 172.38 . . 1 . . . . . . . . 4885 1 389 . 1 1 103 103 ALA N N 15 121.93 . . 1 . . . . . . . . 4885 1 390 . 1 1 103 103 ALA H H 1 7.43 . . 1 . . . . . . . . 4885 1 391 . 1 1 103 103 ALA CA C 13 51.83 . . 1 . . . . . . . . 4885 1 392 . 1 1 103 103 ALA CB C 13 18.32 . . 1 . . . . . . . . 4885 1 393 . 1 1 103 103 ALA C C 13 175.98 . . 1 . . . . . . . . 4885 1 394 . 1 1 104 104 TYR N N 15 114.03 . . 1 . . . . . . . . 4885 1 395 . 1 1 104 104 TYR H H 1 7.67 . . 1 . . . . . . . . 4885 1 396 . 1 1 104 104 TYR CA C 13 55.85 . . 1 . . . . . . . . 4885 1 397 . 1 1 104 104 TYR CB C 13 40.23 . . 1 . . . . . . . . 4885 1 398 . 1 1 104 104 TYR C C 13 175.12 . . 1 . . . . . . . . 4885 1 399 . 1 1 105 105 ASP N N 15 119.31 . . 1 . . . . . . . . 4885 1 400 . 1 1 105 105 ASP H H 1 8.49 . . 1 . . . . . . . . 4885 1 401 . 1 1 105 105 ASP CA C 13 56.01 . . 1 . . . . . . . . 4885 1 402 . 1 1 105 105 ASP CB C 13 43.45 . . 1 . . . . . . . . 4885 1 403 . 1 1 105 105 ASP C C 13 175.61 . . 1 . . . . . . . . 4885 1 404 . 1 1 106 106 ILE N N 15 118.35 . . 1 . . . . . . . . 4885 1 405 . 1 1 106 106 ILE H H 1 8.01 . . 1 . . . . . . . . 4885 1 406 . 1 1 106 106 ILE CA C 13 57.85 . . 1 . . . . . . . . 4885 1 407 . 1 1 106 106 ILE CB C 13 40.89 . . 1 . . . . . . . . 4885 1 408 . 1 1 106 106 ILE C C 13 174.31 . . 1 . . . . . . . . 4885 1 409 . 1 1 107 107 ILE N N 15 124.85 . . 1 . . . . . . . . 4885 1 410 . 1 1 107 107 ILE H H 1 8.26 . . 1 . . . . . . . . 4885 1 411 . 1 1 107 107 ILE CA C 13 59.25 . . 1 . . . . . . . . 4885 1 412 . 1 1 107 107 ILE CB C 13 40.13 . . 1 . . . . . . . . 4885 1 413 . 1 1 107 107 ILE C C 13 174.10 . . 1 . . . . . . . . 4885 1 414 . 1 1 108 108 ILE N N 15 127.19 . . 1 . . . . . . . . 4885 1 415 . 1 1 108 108 ILE H H 1 9.61 . . 1 . . . . . . . . 4885 1 416 . 1 1 108 108 ILE CA C 13 59.26 . . 1 . . . . . . . . 4885 1 417 . 1 1 108 108 ILE CB C 13 37.72 . . 1 . . . . . . . . 4885 1 418 . 1 1 108 108 ILE C C 13 174.57 . . 1 . . . . . . . . 4885 1 419 . 1 1 109 109 CYS N N 15 126.48 . . 1 . . . . . . . . 4885 1 420 . 1 1 109 109 CYS H H 1 9.36 . . 1 . . . . . . . . 4885 1 421 . 1 1 109 109 CYS CA C 13 57.90 . . 1 . . . . . . . . 4885 1 422 . 1 1 109 109 CYS CB C 13 26.61 . . 1 . . . . . . . . 4885 1 423 . 1 1 109 109 CYS C C 13 173.54 . . 1 . . . . . . . . 4885 1 424 . 1 1 110 110 ASP N N 15 123.90 . . 1 . . . . . . . . 4885 1 425 . 1 1 110 110 ASP H H 1 8.68 . . 1 . . . . . . . . 4885 1 426 . 1 1 110 110 ASP CA C 13 52.39 . . 1 . . . . . . . . 4885 1 427 . 1 1 110 110 ASP CB C 13 41.98 . . 1 . . . . . . . . 4885 1 428 . 1 1 110 110 ASP C C 13 177.40 . . 1 . . . . . . . . 4885 1 429 . 1 1 111 111 GLU N N 15 119.40 . . 1 . . . . . . . . 4885 1 430 . 1 1 111 111 GLU H H 1 8.52 . . 1 . . . . . . . . 4885 1 431 . 1 1 111 111 GLU CA C 13 55.74 . . 1 . . . . . . . . 4885 1 432 . 1 1 111 111 GLU CB C 13 25.54 . . 1 . . . . . . . . 4885 1 433 . 1 1 111 111 GLU C C 13 178.40 . . 1 . . . . . . . . 4885 1 434 . 1 1 112 112 CYS N N 15 113.11 . . 1 . . . . . . . . 4885 1 435 . 1 1 112 112 CYS H H 1 8.61 . . 1 . . . . . . . . 4885 1 436 . 1 1 112 112 CYS CA C 13 59.84 . . 1 . . . . . . . . 4885 1 437 . 1 1 112 112 CYS CB C 13 25.93 . . 1 . . . . . . . . 4885 1 438 . 1 1 112 112 CYS C C 13 174.23 . . 1 . . . . . . . . 4885 1 439 . 1 1 113 113 HIS N N 15 120.58 . . 1 . . . . . . . . 4885 1 440 . 1 1 113 113 HIS H H 1 8.49 . . 1 . . . . . . . . 4885 1 441 . 1 1 113 113 HIS CA C 13 55.15 . . 1 . . . . . . . . 4885 1 442 . 1 1 113 113 HIS CB C 13 29.14 . . 1 . . . . . . . . 4885 1 443 . 1 1 113 113 HIS C C 13 175.54 . . 1 . . . . . . . . 4885 1 444 . 1 1 114 114 SER N N 15 116.92 . . 1 . . . . . . . . 4885 1 445 . 1 1 114 114 SER H H 1 7.71 . . 1 . . . . . . . . 4885 1 446 . 1 1 114 114 SER CA C 13 59.21 . . 1 . . . . . . . . 4885 1 447 . 1 1 114 114 SER CB C 13 63.57 . . 1 . . . . . . . . 4885 1 448 . 1 1 114 114 SER C C 13 174.62 . . 1 . . . . . . . . 4885 1 449 . 1 1 115 115 THR N N 15 112.10 . . 1 . . . . . . . . 4885 1 450 . 1 1 115 115 THR H H 1 8.38 . . 1 . . . . . . . . 4885 1 451 . 1 1 115 115 THR CA C 13 60.25 . . 1 . . . . . . . . 4885 1 452 . 1 1 115 115 THR CB C 13 68.13 . . 1 . . . . . . . . 4885 1 453 . 1 1 115 115 THR C C 13 174.71 . . 1 . . . . . . . . 4885 1 454 . 1 1 116 116 ASP N N 15 121.58 . . 1 . . . . . . . . 4885 1 455 . 1 1 116 116 ASP H H 1 7.83 . . 1 . . . . . . . . 4885 1 456 . 1 1 116 116 ASP CA C 13 53.70 . . 1 . . . . . . . . 4885 1 457 . 1 1 116 116 ASP CB C 13 41.04 . . 1 . . . . . . . . 4885 1 458 . 1 1 116 116 ASP C C 13 176.10 . . 1 . . . . . . . . 4885 1 459 . 1 1 117 117 ALA N N 15 125.27 . . 1 . . . . . . . . 4885 1 460 . 1 1 117 117 ALA H H 1 8.79 . . 1 . . . . . . . . 4885 1 461 . 1 1 117 117 ALA CA C 13 55.02 . . 1 . . . . . . . . 4885 1 462 . 1 1 117 117 ALA CB C 13 16.98 . . 1 . . . . . . . . 4885 1 463 . 1 1 117 117 ALA C C 13 180.24 . . 1 . . . . . . . . 4885 1 464 . 1 1 118 118 THR N N 15 113.40 . . 1 . . . . . . . . 4885 1 465 . 1 1 118 118 THR H H 1 8.20 . . 1 . . . . . . . . 4885 1 466 . 1 1 118 118 THR CA C 13 65.88 . . 1 . . . . . . . . 4885 1 467 . 1 1 118 118 THR CB C 13 66.96 . . 1 . . . . . . . . 4885 1 468 . 1 1 118 118 THR C C 13 176.23 . . 1 . . . . . . . . 4885 1 469 . 1 1 119 119 SER N N 15 120.56 . . 1 . . . . . . . . 4885 1 470 . 1 1 119 119 SER H H 1 7.87 . . 1 . . . . . . . . 4885 1 471 . 1 1 119 119 SER CA C 13 61.13 . . 1 . . . . . . . . 4885 1 472 . 1 1 119 119 SER CB C 13 61.92 . . 1 . . . . . . . . 4885 1 473 . 1 1 119 119 SER C C 13 174.79 . . 1 . . . . . . . . 4885 1 474 . 1 1 120 120 ILE N N 15 112.25 . . 1 . . . . . . . . 4885 1 475 . 1 1 120 120 ILE H H 1 7.45 . . 1 . . . . . . . . 4885 1 476 . 1 1 120 120 ILE CA C 13 63.98 . . 1 . . . . . . . . 4885 1 477 . 1 1 120 120 ILE CB C 13 36.50 . . 1 . . . . . . . . 4885 1 478 . 1 1 120 120 ILE C C 13 179.70 . . 1 . . . . . . . . 4885 1 479 . 1 1 121 121 LEU N N 15 120.56 . . 1 . . . . . . . . 4885 1 480 . 1 1 121 121 LEU H H 1 7.87 . . 1 . . . . . . . . 4885 1 481 . 1 1 121 121 LEU CA C 13 56.29 . . 1 . . . . . . . . 4885 1 482 . 1 1 121 121 LEU CB C 13 40.52 . . 1 . . . . . . . . 4885 1 483 . 1 1 121 121 LEU C C 13 180.65 . . 1 . . . . . . . . 4885 1 484 . 1 1 122 122 GLY N N 15 111.76 . . 1 . . . . . . . . 4885 1 485 . 1 1 122 122 GLY H H 1 8.93 . . 1 . . . . . . . . 4885 1 486 . 1 1 122 122 GLY CA C 13 47.00 . . 1 . . . . . . . . 4885 1 487 . 1 1 122 122 GLY C C 13 173.78 . . 1 . . . . . . . . 4885 1 488 . 1 1 123 123 ILE N N 15 122.90 . . 1 . . . . . . . . 4885 1 489 . 1 1 123 123 ILE H H 1 8.64 . . 1 . . . . . . . . 4885 1 490 . 1 1 123 123 ILE CA C 13 65.22 . . 1 . . . . . . . . 4885 1 491 . 1 1 123 123 ILE CB C 13 37.33 . . 1 . . . . . . . . 4885 1 492 . 1 1 123 123 ILE C C 13 178.10 . . 1 . . . . . . . . 4885 1 493 . 1 1 124 124 GLY N N 15 104.61 . . 1 . . . . . . . . 4885 1 494 . 1 1 124 124 GLY H H 1 8.10 . . 1 . . . . . . . . 4885 1 495 . 1 1 124 124 GLY CA C 13 46.63 . . 1 . . . . . . . . 4885 1 496 . 1 1 124 124 GLY C C 13 176.31 . . 1 . . . . . . . . 4885 1 497 . 1 1 125 125 THR N N 15 118.25 . . 1 . . . . . . . . 4885 1 498 . 1 1 125 125 THR H H 1 8.17 . . 1 . . . . . . . . 4885 1 499 . 1 1 125 125 THR CA C 13 66.35 . . 1 . . . . . . . . 4885 1 500 . 1 1 125 125 THR CB C 13 67.82 . . 1 . . . . . . . . 4885 1 501 . 1 1 125 125 THR C C 13 175.90 . . 1 . . . . . . . . 4885 1 502 . 1 1 126 126 VAL N N 15 122.05 . . 1 . . . . . . . . 4885 1 503 . 1 1 126 126 VAL H H 1 8.11 . . 1 . . . . . . . . 4885 1 504 . 1 1 126 126 VAL CA C 13 66.86 . . 1 . . . . . . . . 4885 1 505 . 1 1 126 126 VAL CB C 13 30.68 . . 1 . . . . . . . . 4885 1 506 . 1 1 126 126 VAL C C 13 177.94 . . 1 . . . . . . . . 4885 1 507 . 1 1 127 127 LEU N N 15 116.03 . . 1 . . . . . . . . 4885 1 508 . 1 1 127 127 LEU H H 1 8.41 . . 1 . . . . . . . . 4885 1 509 . 1 1 127 127 LEU CA C 13 57.15 . . 1 . . . . . . . . 4885 1 510 . 1 1 127 127 LEU CB C 13 39.36 . . 1 . . . . . . . . 4885 1 511 . 1 1 127 127 LEU C C 13 179.97 . . 1 . . . . . . . . 4885 1 512 . 1 1 128 128 ASP N N 15 117.87 . . 1 . . . . . . . . 4885 1 513 . 1 1 128 128 ASP H H 1 8.05 . . 1 . . . . . . . . 4885 1 514 . 1 1 128 128 ASP CA C 13 55.92 . . 1 . . . . . . . . 4885 1 515 . 1 1 128 128 ASP CB C 13 41.63 . . 1 . . . . . . . . 4885 1 516 . 1 1 128 128 ASP C C 13 178.34 . . 1 . . . . . . . . 4885 1 517 . 1 1 129 129 GLN N N 15 114.34 . . 1 . . . . . . . . 4885 1 518 . 1 1 129 129 GLN H H 1 8.01 . . 1 . . . . . . . . 4885 1 519 . 1 1 129 129 GLN CA C 13 56.23 . . 1 . . . . . . . . 4885 1 520 . 1 1 129 129 GLN CB C 13 30.43 . . 1 . . . . . . . . 4885 1 521 . 1 1 129 129 GLN C C 13 178.21 . . 1 . . . . . . . . 4885 1 522 . 1 1 130 130 ALA N N 15 121.23 . . 1 . . . . . . . . 4885 1 523 . 1 1 130 130 ALA H H 1 8.76 . . 1 . . . . . . . . 4885 1 524 . 1 1 130 130 ALA CA C 13 56.24 . . 1 . . . . . . . . 4885 1 525 . 1 1 130 130 ALA CB C 13 18.12 . . 1 . . . . . . . . 4885 1 526 . 1 1 130 130 ALA C C 13 178.12 . . 1 . . . . . . . . 4885 1 527 . 1 1 131 131 GLU N N 15 118.06 . . 1 . . . . . . . . 4885 1 528 . 1 1 131 131 GLU H H 1 8.45 . . 1 . . . . . . . . 4885 1 529 . 1 1 131 131 GLU CA C 13 58.85 . . 1 . . . . . . . . 4885 1 530 . 1 1 131 131 GLU CB C 13 26.73 . . 1 . . . . . . . . 4885 1 531 . 1 1 131 131 GLU C C 13 181.54 . . 1 . . . . . . . . 4885 1 532 . 1 1 132 132 THR N N 15 116.61 . . 1 . . . . . . . . 4885 1 533 . 1 1 132 132 THR H H 1 8.31 . . 1 . . . . . . . . 4885 1 534 . 1 1 132 132 THR CA C 13 64.31 . . 1 . . . . . . . . 4885 1 535 . 1 1 132 132 THR CB C 13 67.59 . . 1 . . . . . . . . 4885 1 536 . 1 1 132 132 THR C C 13 175.38 . . 1 . . . . . . . . 4885 1 537 . 1 1 133 133 ALA N N 15 121.31 . . 1 . . . . . . . . 4885 1 538 . 1 1 133 133 ALA H H 1 7.78 . . 1 . . . . . . . . 4885 1 539 . 1 1 133 133 ALA CA C 13 51.66 . . 1 . . . . . . . . 4885 1 540 . 1 1 133 133 ALA CB C 13 17.93 . . 1 . . . . . . . . 4885 1 541 . 1 1 133 133 ALA C C 13 177.90 . . 1 . . . . . . . . 4885 1 542 . 1 1 134 134 GLY N N 15 106.48 . . 1 . . . . . . . . 4885 1 543 . 1 1 134 134 GLY H H 1 7.72 . . 1 . . . . . . . . 4885 1 544 . 1 1 134 134 GLY CA C 13 44.68 . . 1 . . . . . . . . 4885 1 545 . 1 1 134 134 GLY C C 13 174.84 . . 1 . . . . . . . . 4885 1 546 . 1 1 135 135 ALA N N 15 122.37 . . 1 . . . . . . . . 4885 1 547 . 1 1 135 135 ALA H H 1 7.99 . . 1 . . . . . . . . 4885 1 548 . 1 1 135 135 ALA CA C 13 52.12 . . 1 . . . . . . . . 4885 1 549 . 1 1 135 135 ALA CB C 13 17.46 . . 1 . . . . . . . . 4885 1 550 . 1 1 135 135 ALA C C 13 176.73 . . 1 . . . . . . . . 4885 1 551 . 1 1 136 136 ARG N N 15 118.34 . . 1 . . . . . . . . 4885 1 552 . 1 1 136 136 ARG H H 1 9.29 . . 1 . . . . . . . . 4885 1 553 . 1 1 136 136 ARG CA C 13 55.02 . . 1 . . . . . . . . 4885 1 554 . 1 1 136 136 ARG CB C 13 30.34 . . 1 . . . . . . . . 4885 1 555 . 1 1 136 136 ARG C C 13 175.27 . . 1 . . . . . . . . 4885 1 556 . 1 1 137 137 LEU N N 15 116.46 . . 1 . . . . . . . . 4885 1 557 . 1 1 137 137 LEU H H 1 7.16 . . 1 . . . . . . . . 4885 1 558 . 1 1 137 137 LEU CA C 13 52.88 . . 1 . . . . . . . . 4885 1 559 . 1 1 137 137 LEU CB C 13 45.37 . . 1 . . . . . . . . 4885 1 560 . 1 1 137 137 LEU C C 13 174.26 . . 1 . . . . . . . . 4885 1 561 . 1 1 138 138 VAL N N 15 125.33 . . 1 . . . . . . . . 4885 1 562 . 1 1 138 138 VAL H H 1 7.84 . . 1 . . . . . . . . 4885 1 563 . 1 1 138 138 VAL CA C 13 58.83 . . 1 . . . . . . . . 4885 1 564 . 1 1 138 138 VAL CB C 13 33.41 . . 1 . . . . . . . . 4885 1 565 . 1 1 138 138 VAL C C 13 173.84 . . 1 . . . . . . . . 4885 1 566 . 1 1 139 139 VAL N N 15 125.33 . . 1 . . . . . . . . 4885 1 567 . 1 1 139 139 VAL H H 1 9.03 . . 1 . . . . . . . . 4885 1 568 . 1 1 139 139 VAL CA C 13 58.89 . . 1 . . . . . . . . 4885 1 569 . 1 1 139 139 VAL CB C 13 32.94 . . 1 . . . . . . . . 4885 1 570 . 1 1 139 139 VAL C C 13 174.33 . . 1 . . . . . . . . 4885 1 571 . 1 1 140 140 LEU N N 15 129.06 . . 1 . . . . . . . . 4885 1 572 . 1 1 140 140 LEU H H 1 8.92 . . 1 . . . . . . . . 4885 1 573 . 1 1 140 140 LEU CA C 13 53.20 . . 1 . . . . . . . . 4885 1 574 . 1 1 140 140 LEU CB C 13 39.17 . . 1 . . . . . . . . 4885 1 575 . 1 1 140 140 LEU C C 13 174.96 . . 1 . . . . . . . . 4885 1 576 . 1 1 141 141 ALA N N 15 129.40 . . 1 . . . . . . . . 4885 1 577 . 1 1 141 141 ALA H H 1 8.61 . . 1 . . . . . . . . 4885 1 578 . 1 1 141 141 ALA CA C 13 49.83 . . 1 . . . . . . . . 4885 1 579 . 1 1 141 141 ALA CB C 13 20.96 . . 1 . . . . . . . . 4885 1 580 . 1 1 141 141 ALA C C 13 175.56 . . 1 . . . . . . . . 4885 1 581 . 1 1 142 142 THR N N 15 115.14 . . 1 . . . . . . . . 4885 1 582 . 1 1 142 142 THR H H 1 8.50 . . 1 . . . . . . . . 4885 1 583 . 1 1 142 142 THR CA C 13 59.58 . . 1 . . . . . . . . 4885 1 584 . 1 1 142 142 THR CB C 13 68.55 . . 1 . . . . . . . . 4885 1 585 . 1 1 142 142 THR C C 13 172.07 . . 1 . . . . . . . . 4885 1 586 . 1 1 143 143 ALA N N 15 127.20 . . 1 . . . . . . . . 4885 1 587 . 1 1 143 143 ALA H H 1 8.39 . . 1 . . . . . . . . 4885 1 588 . 1 1 143 143 ALA CA C 13 50.97 . . 1 . . . . . . . . 4885 1 589 . 1 1 143 143 ALA CB C 13 19.42 . . 1 . . . . . . . . 4885 1 590 . 1 1 143 143 ALA C C 13 177.37 . . 1 . . . . . . . . 4885 1 591 . 1 1 144 144 THR N N 15 117.95 . . 1 . . . . . . . . 4885 1 592 . 1 1 144 144 THR H H 1 7.74 . . 1 . . . . . . . . 4885 1 593 . 1 1 144 144 THR CA C 13 62.22 . . 1 . . . . . . . . 4885 1 594 . 1 1 144 144 THR CB C 13 69.13 . . 1 . . . . . . . . 4885 1 stop_ save_