data_26996 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26996 _Entry.Title ; Backbone assignments for NS2b, NS3 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-18 _Entry.Accession_date 2017-01-18 _Entry.Last_release_date 2017-01-18 _Entry.Original_release_date 2017-01-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Peter Agback . . . . 26996 2 Esmeralda Woestenenk . . . . 26996 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26996 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 26996 '15N chemical shifts' 193 26996 '1H chemical shifts' 193 26996 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 . . 2017-08-10 . original BMRB . 26996 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26996 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.pep.2017.07.002 _Citation.PubMed_ID 28751017 _Citation.Full_citation . _Citation.Title ; Co-refolding of a functional complex of Dengue NS3 protease and NS2B co-factor domain and backbone resonance assignment by solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Expr. Purif.' _Citation.Journal_name_full 'Protein expression and purification' _Citation.Journal_volume 140 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1096-0279 _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 16 _Citation.Page_last 27 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Esmeralda Woestenenk E. . . . 26996 1 2 Peter Agback P. . . . 26996 1 3 Sofia Unnerstale S. . . . 26996 1 4 Ian Henderson I. . . . 26996 1 5 Tatiana Agback T. . . . 26996 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26996 _Assembly.ID 1 _Assembly.Name NS2B/NS3 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NS2B 1 $NS2B A . yes native no no . . . 26996 1 2 NS3 2 $NS3 B . yes native no no . . . 26996 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS2B _Entity.Sf_category entity _Entity.Sf_framecode NS2B _Entity.Entry_ID 26996 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS2B _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 ; MGSSHHHHHHSSGLVPRGSH MLEADLELERAADVRWEEQA EISGSSPILSITISEDGSMS IKNEEEEQTL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 1 301 MET . 26996 1 2 302 GLY . 26996 1 3 303 SER . 26996 1 4 304 SER . 26996 1 5 305 HIS . 26996 1 6 306 HIS . 26996 1 7 307 HIS . 26996 1 8 308 HIS . 26996 1 9 309 HIS . 26996 1 10 310 HIS . 26996 1 11 311 SER . 26996 1 12 312 SER . 26996 1 13 313 GLY . 26996 1 14 314 LEU . 26996 1 15 315 VAL . 26996 1 16 316 PRO . 26996 1 17 317 ARG . 26996 1 18 318 GLY . 26996 1 19 319 SER . 26996 1 20 320 HIS . 26996 1 21 321 MET . 26996 1 22 322 LEU . 26996 1 23 323 GLU . 26996 1 24 324 ALA . 26996 1 25 325 ASP . 26996 1 26 326 LEU . 26996 1 27 327 GLU . 26996 1 28 328 LEU . 26996 1 29 329 GLU . 26996 1 30 330 ARG . 26996 1 31 331 ALA . 26996 1 32 332 ALA . 26996 1 33 333 ASP . 26996 1 34 334 VAL . 26996 1 35 335 ARG . 26996 1 36 336 TRP . 26996 1 37 337 GLU . 26996 1 38 338 GLU . 26996 1 39 339 GLN . 26996 1 40 340 ALA . 26996 1 41 341 GLU . 26996 1 42 342 ILE . 26996 1 43 343 SER . 26996 1 44 344 GLY . 26996 1 45 345 SER . 26996 1 46 346 SER . 26996 1 47 347 PRO . 26996 1 48 348 ILE . 26996 1 49 349 LEU . 26996 1 50 350 SER . 26996 1 51 351 ILE . 26996 1 52 352 THR . 26996 1 53 353 ILE . 26996 1 54 354 SER . 26996 1 55 355 GLU . 26996 1 56 356 ASP . 26996 1 57 357 GLY . 26996 1 58 358 SER . 26996 1 59 359 MET . 26996 1 60 360 SER . 26996 1 61 361 ILE . 26996 1 62 362 LYS . 26996 1 63 363 ASN . 26996 1 64 364 GLU . 26996 1 65 365 GLU . 26996 1 66 366 GLU . 26996 1 67 367 GLU . 26996 1 68 368 GLN . 26996 1 69 369 THR . 26996 1 70 370 LEU . 26996 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 26996 1 . GLY 2 2 26996 1 . SER 3 3 26996 1 . SER 4 4 26996 1 . HIS 5 5 26996 1 . HIS 6 6 26996 1 . HIS 7 7 26996 1 . HIS 8 8 26996 1 . HIS 9 9 26996 1 . HIS 10 10 26996 1 . SER 11 11 26996 1 . SER 12 12 26996 1 . GLY 13 13 26996 1 . LEU 14 14 26996 1 . VAL 15 15 26996 1 . PRO 16 16 26996 1 . ARG 17 17 26996 1 . GLY 18 18 26996 1 . SER 19 19 26996 1 . HIS 20 20 26996 1 . MET 21 21 26996 1 . LEU 22 22 26996 1 . GLU 23 23 26996 1 . ALA 24 24 26996 1 . ASP 25 25 26996 1 . LEU 26 26 26996 1 . GLU 27 27 26996 1 . LEU 28 28 26996 1 . GLU 29 29 26996 1 . ARG 30 30 26996 1 . ALA 31 31 26996 1 . ALA 32 32 26996 1 . ASP 33 33 26996 1 . VAL 34 34 26996 1 . ARG 35 35 26996 1 . TRP 36 36 26996 1 . GLU 37 37 26996 1 . GLU 38 38 26996 1 . GLN 39 39 26996 1 . ALA 40 40 26996 1 . GLU 41 41 26996 1 . ILE 42 42 26996 1 . SER 43 43 26996 1 . GLY 44 44 26996 1 . SER 45 45 26996 1 . SER 46 46 26996 1 . PRO 47 47 26996 1 . ILE 48 48 26996 1 . LEU 49 49 26996 1 . SER 50 50 26996 1 . ILE 51 51 26996 1 . THR 52 52 26996 1 . ILE 53 53 26996 1 . SER 54 54 26996 1 . GLU 55 55 26996 1 . ASP 56 56 26996 1 . GLY 57 57 26996 1 . SER 58 58 26996 1 . MET 59 59 26996 1 . SER 60 60 26996 1 . ILE 61 61 26996 1 . LYS 62 62 26996 1 . ASN 63 63 26996 1 . GLU 64 64 26996 1 . GLU 65 65 26996 1 . GLU 66 66 26996 1 . GLU 67 67 26996 1 . GLN 68 68 26996 1 . THR 69 69 26996 1 . LEU 70 70 26996 1 stop_ save_ save_NS3 _Entity.Sf_category entity _Entity.Sf_framecode NS3 _Entity.Entry_ID 26996 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NS3 _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 ; MSHHHHHHSAGVLWDVPSPP PVGKAELEDGAYRIKQKGIL GYSQIGAGVYKEGTFHTMWH VTRGAVLMHKGKRIEPSWAD VKKDLISYGGGWKLEGEWKE GEEVQVLALEPGKNPRAVQT KPGLFKTNTGTIGAVSLDFS PGTSGSPIVDKKGKVVGLYG NGVVTRSGAYVSAIAQTEKS IEDNPEIEDDIFRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 . 26996 2 2 . SER . 26996 2 3 . HIS . 26996 2 4 . HIS . 26996 2 5 . HIS . 26996 2 6 . HIS . 26996 2 7 . HIS . 26996 2 8 . HIS . 26996 2 9 . SER . 26996 2 10 . ALA . 26996 2 11 . GLY . 26996 2 12 . VAL . 26996 2 13 . LEU . 26996 2 14 . TRP . 26996 2 15 . ASP . 26996 2 16 . VAL . 26996 2 17 . PRO . 26996 2 18 . SER . 26996 2 19 . PRO . 26996 2 20 . PRO . 26996 2 21 . PRO . 26996 2 22 . VAL . 26996 2 23 . GLY . 26996 2 24 . LYS . 26996 2 25 . ALA . 26996 2 26 . GLU . 26996 2 27 . LEU . 26996 2 28 . GLU . 26996 2 29 . ASP . 26996 2 30 . GLY . 26996 2 31 . ALA . 26996 2 32 . TYR . 26996 2 33 . ARG . 26996 2 34 . ILE . 26996 2 35 . LYS . 26996 2 36 . GLN . 26996 2 37 . LYS . 26996 2 38 . GLY . 26996 2 39 . ILE . 26996 2 40 . LEU . 26996 2 41 . GLY . 26996 2 42 . TYR . 26996 2 43 . SER . 26996 2 44 . GLN . 26996 2 45 . ILE . 26996 2 46 . GLY . 26996 2 47 . ALA . 26996 2 48 . GLY . 26996 2 49 . VAL . 26996 2 50 . TYR . 26996 2 51 . LYS . 26996 2 52 . GLU . 26996 2 53 . GLY . 26996 2 54 . THR . 26996 2 55 . PHE . 26996 2 56 . HIS . 26996 2 57 . THR . 26996 2 58 . MET . 26996 2 59 . TRP . 26996 2 60 . HIS . 26996 2 61 . VAL . 26996 2 62 . THR . 26996 2 63 . ARG . 26996 2 64 . GLY . 26996 2 65 . ALA . 26996 2 66 . VAL . 26996 2 67 . LEU . 26996 2 68 . MET . 26996 2 69 . HIS . 26996 2 70 . LYS . 26996 2 71 . GLY . 26996 2 72 . LYS . 26996 2 73 . ARG . 26996 2 74 . ILE . 26996 2 75 . GLU . 26996 2 76 . PRO . 26996 2 77 . SER . 26996 2 78 . TRP . 26996 2 79 . ALA . 26996 2 80 . ASP . 26996 2 81 . VAL . 26996 2 82 . LYS . 26996 2 83 . LYS . 26996 2 84 . ASP . 26996 2 85 . LEU . 26996 2 86 . ILE . 26996 2 87 . SER . 26996 2 88 . TYR . 26996 2 89 . GLY . 26996 2 90 . GLY . 26996 2 91 . GLY . 26996 2 92 . TRP . 26996 2 93 . LYS . 26996 2 94 . LEU . 26996 2 95 . GLU . 26996 2 96 . GLY . 26996 2 97 . GLU . 26996 2 98 . TRP . 26996 2 99 . LYS . 26996 2 100 . GLU . 26996 2 101 . GLY . 26996 2 102 . GLU . 26996 2 103 . GLU . 26996 2 104 . VAL . 26996 2 105 . GLN . 26996 2 106 . VAL . 26996 2 107 . LEU . 26996 2 108 . ALA . 26996 2 109 . LEU . 26996 2 110 . GLU . 26996 2 111 . PRO . 26996 2 112 . GLY . 26996 2 113 . LYS . 26996 2 114 . ASN . 26996 2 115 . PRO . 26996 2 116 . ARG . 26996 2 117 . ALA . 26996 2 118 . VAL . 26996 2 119 . GLN . 26996 2 120 . THR . 26996 2 121 . LYS . 26996 2 122 . PRO . 26996 2 123 . GLY . 26996 2 124 . LEU . 26996 2 125 . PHE . 26996 2 126 . LYS . 26996 2 127 . THR . 26996 2 128 . ASN . 26996 2 129 . THR . 26996 2 130 . GLY . 26996 2 131 . THR . 26996 2 132 . ILE . 26996 2 133 . GLY . 26996 2 134 . ALA . 26996 2 135 . VAL . 26996 2 136 . SER . 26996 2 137 . LEU . 26996 2 138 . ASP . 26996 2 139 . PHE . 26996 2 140 . SER . 26996 2 141 . PRO . 26996 2 142 . GLY . 26996 2 143 . THR . 26996 2 144 . SER . 26996 2 145 . GLY . 26996 2 146 . SER . 26996 2 147 . PRO . 26996 2 148 . ILE . 26996 2 149 . VAL . 26996 2 150 . ASP . 26996 2 151 . LYS . 26996 2 152 . LYS . 26996 2 153 . GLY . 26996 2 154 . LYS . 26996 2 155 . VAL . 26996 2 156 . VAL . 26996 2 157 . GLY . 26996 2 158 . LEU . 26996 2 159 . TYR . 26996 2 160 . GLY . 26996 2 161 . ASN . 26996 2 162 . GLY . 26996 2 163 . VAL . 26996 2 164 . VAL . 26996 2 165 . THR . 26996 2 166 . ARG . 26996 2 167 . SER . 26996 2 168 . GLY . 26996 2 169 . ALA . 26996 2 170 . TYR . 26996 2 171 . VAL . 26996 2 172 . SER . 26996 2 173 . ALA . 26996 2 174 . ILE . 26996 2 175 . ALA . 26996 2 176 . GLN . 26996 2 177 . THR . 26996 2 178 . GLU . 26996 2 179 . LYS . 26996 2 180 . SER . 26996 2 181 . ILE . 26996 2 182 . GLU . 26996 2 183 . ASP . 26996 2 184 . ASN . 26996 2 185 . PRO . 26996 2 186 . GLU . 26996 2 187 . ILE . 26996 2 188 . GLU . 26996 2 189 . ASP . 26996 2 190 . ASP . 26996 2 191 . ILE . 26996 2 192 . PHE . 26996 2 193 . ARG . 26996 2 194 . LYS . 26996 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 26996 2 . SER 2 2 26996 2 . HIS 3 3 26996 2 . HIS 4 4 26996 2 . HIS 5 5 26996 2 . HIS 6 6 26996 2 . HIS 7 7 26996 2 . HIS 8 8 26996 2 . SER 9 9 26996 2 . ALA 10 10 26996 2 . GLY 11 11 26996 2 . VAL 12 12 26996 2 . LEU 13 13 26996 2 . TRP 14 14 26996 2 . ASP 15 15 26996 2 . VAL 16 16 26996 2 . PRO 17 17 26996 2 . SER 18 18 26996 2 . PRO 19 19 26996 2 . PRO 20 20 26996 2 . PRO 21 21 26996 2 . VAL 22 22 26996 2 . GLY 23 23 26996 2 . LYS 24 24 26996 2 . ALA 25 25 26996 2 . GLU 26 26 26996 2 . LEU 27 27 26996 2 . GLU 28 28 26996 2 . ASP 29 29 26996 2 . GLY 30 30 26996 2 . ALA 31 31 26996 2 . TYR 32 32 26996 2 . ARG 33 33 26996 2 . ILE 34 34 26996 2 . LYS 35 35 26996 2 . GLN 36 36 26996 2 . LYS 37 37 26996 2 . GLY 38 38 26996 2 . ILE 39 39 26996 2 . LEU 40 40 26996 2 . GLY 41 41 26996 2 . TYR 42 42 26996 2 . SER 43 43 26996 2 . GLN 44 44 26996 2 . ILE 45 45 26996 2 . GLY 46 46 26996 2 . ALA 47 47 26996 2 . GLY 48 48 26996 2 . VAL 49 49 26996 2 . TYR 50 50 26996 2 . LYS 51 51 26996 2 . GLU 52 52 26996 2 . GLY 53 53 26996 2 . THR 54 54 26996 2 . PHE 55 55 26996 2 . HIS 56 56 26996 2 . THR 57 57 26996 2 . MET 58 58 26996 2 . TRP 59 59 26996 2 . HIS 60 60 26996 2 . VAL 61 61 26996 2 . THR 62 62 26996 2 . ARG 63 63 26996 2 . GLY 64 64 26996 2 . ALA 65 65 26996 2 . VAL 66 66 26996 2 . LEU 67 67 26996 2 . MET 68 68 26996 2 . HIS 69 69 26996 2 . LYS 70 70 26996 2 . GLY 71 71 26996 2 . LYS 72 72 26996 2 . ARG 73 73 26996 2 . ILE 74 74 26996 2 . GLU 75 75 26996 2 . PRO 76 76 26996 2 . SER 77 77 26996 2 . TRP 78 78 26996 2 . ALA 79 79 26996 2 . ASP 80 80 26996 2 . VAL 81 81 26996 2 . LYS 82 82 26996 2 . LYS 83 83 26996 2 . ASP 84 84 26996 2 . LEU 85 85 26996 2 . ILE 86 86 26996 2 . SER 87 87 26996 2 . TYR 88 88 26996 2 . GLY 89 89 26996 2 . GLY 90 90 26996 2 . GLY 91 91 26996 2 . TRP 92 92 26996 2 . LYS 93 93 26996 2 . LEU 94 94 26996 2 . GLU 95 95 26996 2 . GLY 96 96 26996 2 . GLU 97 97 26996 2 . TRP 98 98 26996 2 . LYS 99 99 26996 2 . GLU 100 100 26996 2 . GLY 101 101 26996 2 . GLU 102 102 26996 2 . GLU 103 103 26996 2 . VAL 104 104 26996 2 . GLN 105 105 26996 2 . VAL 106 106 26996 2 . LEU 107 107 26996 2 . ALA 108 108 26996 2 . LEU 109 109 26996 2 . GLU 110 110 26996 2 . PRO 111 111 26996 2 . GLY 112 112 26996 2 . LYS 113 113 26996 2 . ASN 114 114 26996 2 . PRO 115 115 26996 2 . ARG 116 116 26996 2 . ALA 117 117 26996 2 . VAL 118 118 26996 2 . GLN 119 119 26996 2 . THR 120 120 26996 2 . LYS 121 121 26996 2 . PRO 122 122 26996 2 . GLY 123 123 26996 2 . LEU 124 124 26996 2 . PHE 125 125 26996 2 . LYS 126 126 26996 2 . THR 127 127 26996 2 . ASN 128 128 26996 2 . THR 129 129 26996 2 . GLY 130 130 26996 2 . THR 131 131 26996 2 . ILE 132 132 26996 2 . GLY 133 133 26996 2 . ALA 134 134 26996 2 . VAL 135 135 26996 2 . SER 136 136 26996 2 . LEU 137 137 26996 2 . ASP 138 138 26996 2 . PHE 139 139 26996 2 . SER 140 140 26996 2 . PRO 141 141 26996 2 . GLY 142 142 26996 2 . THR 143 143 26996 2 . SER 144 144 26996 2 . GLY 145 145 26996 2 . SER 146 146 26996 2 . PRO 147 147 26996 2 . ILE 148 148 26996 2 . VAL 149 149 26996 2 . ASP 150 150 26996 2 . LYS 151 151 26996 2 . LYS 152 152 26996 2 . GLY 153 153 26996 2 . LYS 154 154 26996 2 . VAL 155 155 26996 2 . VAL 156 156 26996 2 . GLY 157 157 26996 2 . LEU 158 158 26996 2 . TYR 159 159 26996 2 . GLY 160 160 26996 2 . ASN 161 161 26996 2 . GLY 162 162 26996 2 . VAL 163 163 26996 2 . VAL 164 164 26996 2 . THR 165 165 26996 2 . ARG 166 166 26996 2 . SER 167 167 26996 2 . GLY 168 168 26996 2 . ALA 169 169 26996 2 . TYR 170 170 26996 2 . VAL 171 171 26996 2 . SER 172 172 26996 2 . ALA 173 173 26996 2 . ILE 174 174 26996 2 . ALA 175 175 26996 2 . GLN 176 176 26996 2 . THR 177 177 26996 2 . GLU 178 178 26996 2 . LYS 179 179 26996 2 . SER 180 180 26996 2 . ILE 181 181 26996 2 . GLU 182 182 26996 2 . ASP 183 183 26996 2 . ASN 184 184 26996 2 . PRO 185 185 26996 2 . GLU 186 186 26996 2 . ILE 187 187 26996 2 . GLU 188 188 26996 2 . ASP 189 189 26996 2 . ASP 190 190 26996 2 . ILE 191 191 26996 2 . PHE 192 192 26996 2 . ARG 193 193 26996 2 . LYS 194 194 26996 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 26996 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NS2B . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26996 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 26996 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NS2B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 26996 1 2 2 $NS3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21b . . . 26996 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26996 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NS2B '[U-13C; U-15N; U-2H]' . . 1 $NS2B . . 0.3 . . mM . . . . 26996 1 2 NS3 '[U-13C; U-15N; U-2H]' . . 2 $NS3 . . 0.3 . . mM . . . . 26996 1 3 'Boronic acid' 'natural abundance' . . . . . . 1.0 . . mM . . . . 26996 1 4 MES '[U-100% 2H]' . . . . . . 20 . . mM . . . . 26996 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26996 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26996 1 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26996 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26996 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NS2B 'natural abundance' . . 1 $NS2B . . 0.3 . . mM . . . . 26996 2 2 NS3 '[U-13C; U-15N; U-2H]' . . 2 $NS3 . . 0.3 . . mM . . . . 26996 2 3 'Boronic acid' 'natural abundance' . . . . . . 1.0 . . mM . . . . 26996 2 4 MES '[U-100% 2H]' . . . . . . 20 . . mM . . . . 26996 2 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26996 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26996 2 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26996 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26996 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NS2B '[U-13C; U-15N; U-2H]' . . 1 $NS2B . . 0.3 . . mM . . . . 26996 3 2 NS3 'natural abundance' . . 2 $NS3 . . 0.3 . . mM . . . . 26996 3 3 'Boronic acid' 'natural abundance' . . . . . . 1.0 . . mM . . . . 26996 3 4 MES '[U-100% 2H]' . . . . . . 20 . . mM . . . . 26996 3 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 26996 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 26996 3 7 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 26996 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26996 _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 6.5 . pH 26996 1 pressure 1 . atm 26996 1 temperature 298 . K 26996 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26996 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26996 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26996 1 processing 26996 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 26996 _Software.ID 2 _Software.Name CCPN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26996 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26996 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26996 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26996 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26996 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 26996 1 2 spectrometer_2 Bruker Avance . 600 . . . 26996 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 26996 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 12 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 13 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 14 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 15 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26996 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26996 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26996 1 18 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26996 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26996 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26996 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26996 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26996 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26996 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26996 1 2 '3D HNCA' . . . 26996 1 3 '3D HN(CO)CA' . . . 26996 1 4 '3D HNCO' . . . 26996 1 5 '3D HNCACB' . . . 26996 1 11 '2D 1H-15N HSQC' . . . 26996 1 12 '3D HNCA' . . . 26996 1 13 '3D HN(CO)CA' . . . 26996 1 14 '3D HNCO' . . . 26996 1 15 '3D HNCACB' . . . 26996 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 22 22 LEU CA C 13 60.51 . . . . . . . 322 LEU CA . 26996 1 2 . 1 1 23 23 GLU H H 1 8.31 . . . . . . . 323 GLU HN . 26996 1 3 . 1 1 23 23 GLU CA C 13 56.15 . . . . . . . 323 GLU CA . 26996 1 4 . 1 1 23 23 GLU N N 15 125.55 . . . . . . . 323 GLU N . 26996 1 5 . 1 1 24 24 ALA CA C 13 51.46 . . . . . . . 324 ALA CA . 26996 1 6 . 1 1 25 25 ASP H H 1 8.19 . . . . . . . 325 ASP HN . 26996 1 7 . 1 1 25 25 ASP CA C 13 54.48 . . . . . . . 325 ASP CA . 26996 1 8 . 1 1 25 25 ASP N N 15 120.62 . . . . . . . 325 ASP N . 26996 1 9 . 1 1 26 26 LEU H H 1 8.04 . . . . . . . 326 LEU HN . 26996 1 10 . 1 1 26 26 LEU CA C 13 53.40 . . . . . . . 326 LEU CA . 26996 1 11 . 1 1 26 26 LEU N N 15 120.92 . . . . . . . 326 LEU N . 26996 1 12 . 1 1 27 27 GLU H H 1 9.01 . . . . . . . 327 GLU HN . 26996 1 13 . 1 1 27 27 GLU CA C 13 53.90 . . . . . . . 327 GLU CA . 26996 1 14 . 1 1 27 27 GLU N N 15 122.18 . . . . . . . 327 GLU N . 26996 1 15 . 1 1 28 28 LEU H H 1 8.25 . . . . . . . 328 LEU HN . 26996 1 16 . 1 1 28 28 LEU CA C 13 53.04 . . . . . . . 328 LEU CA . 26996 1 17 . 1 1 28 28 LEU N N 15 121.53 . . . . . . . 328 LEU N . 26996 1 18 . 1 1 29 29 GLU H H 1 8.51 . . . . . . . 329 GLU HN . 26996 1 19 . 1 1 29 29 GLU CA C 13 54.63 . . . . . . . 329 GLU CA . 26996 1 20 . 1 1 29 29 GLU N N 15 121.21 . . . . . . . 329 GLU N . 26996 1 21 . 1 1 30 30 ARG H H 1 9.35 . . . . . . . 330 ARG HN . 26996 1 22 . 1 1 30 30 ARG CA C 13 58.71 . . . . . . . 330 ARG CA . 26996 1 23 . 1 1 30 30 ARG N N 15 132.69 . . . . . . . 330 ARG N . 26996 1 24 . 1 1 31 31 ALA H H 1 8.95 . . . . . . . 331 ALA HN . 26996 1 25 . 1 1 31 31 ALA CA C 13 51.91 . . . . . . . 331 ALA CA . 26996 1 26 . 1 1 31 31 ALA N N 15 127.47 . . . . . . . 331 ALA N . 26996 1 27 . 1 1 32 32 ALA H H 1 7.55 . . . . . . . 332 ALA HN . 26996 1 28 . 1 1 32 32 ALA CA C 13 51.51 . . . . . . . 332 ALA CA . 26996 1 29 . 1 1 32 32 ALA N N 15 116.77 . . . . . . . 332 ALA N . 26996 1 30 . 1 1 33 33 ASP H H 1 8.40 . . . . . . . 333 ASP HN . 26996 1 31 . 1 1 33 33 ASP CA C 13 53.67 . . . . . . . 333 ASP CA . 26996 1 32 . 1 1 33 33 ASP N N 15 120.37 . . . . . . . 333 ASP N . 26996 1 33 . 1 1 34 34 VAL H H 1 8.80 . . . . . . . 334 VAL HN . 26996 1 34 . 1 1 34 34 VAL CA C 13 63.13 . . . . . . . 334 VAL CA . 26996 1 35 . 1 1 34 34 VAL N N 15 121.78 . . . . . . . 334 VAL N . 26996 1 36 . 1 1 35 35 ARG H H 1 6.97 . . . . . . . 335 ARG HN . 26996 1 37 . 1 1 35 35 ARG CA C 13 54.00 . . . . . . . 335 ARG CA . 26996 1 38 . 1 1 35 35 ARG N N 15 124.14 . . . . . . . 335 ARG N . 26996 1 39 . 1 1 36 36 TRP H H 1 8.57 . . . . . . . 336 TRP HN . 26996 1 40 . 1 1 36 36 TRP CA C 13 56.71 . . . . . . . 336 TRP CA . 26996 1 41 . 1 1 36 36 TRP N N 15 122.58 . . . . . . . 336 TRP N . 26996 1 42 . 1 1 37 37 GLU H H 1 9.13 . . . . . . . 337 GLU HN . 26996 1 43 . 1 1 37 37 GLU CA C 13 54.39 . . . . . . . 337 GLU CA . 26996 1 44 . 1 1 37 37 GLU N N 15 132.31 . . . . . . . 337 GLU N . 26996 1 45 . 1 1 38 38 GLU H H 1 8.70 . . . . . . . 338 GLU HN . 26996 1 46 . 1 1 38 38 GLU CA C 13 58.24 . . . . . . . 338 GLU CA . 26996 1 47 . 1 1 38 38 GLU N N 15 125.73 . . . . . . . 338 GLU N . 26996 1 48 . 1 1 39 39 GLN H H 1 8.60 . . . . . . . 339 GLN HN . 26996 1 49 . 1 1 39 39 GLN CA C 13 54.51 . . . . . . . 339 GLN CA . 26996 1 50 . 1 1 39 39 GLN N N 15 118.12 . . . . . . . 339 GLN N . 26996 1 51 . 1 1 40 40 ALA H H 1 7.29 . . . . . . . 340 ALA HN . 26996 1 52 . 1 1 40 40 ALA CA C 13 51.34 . . . . . . . 340 ALA CA . 26996 1 53 . 1 1 40 40 ALA N N 15 123.90 . . . . . . . 340 ALA N . 26996 1 54 . 1 1 41 41 GLU H H 1 7.89 . . . . . . . 341 GLU HN . 26996 1 55 . 1 1 41 41 GLU N N 15 121.69 . . . . . . . 341 GLU N . 26996 1 56 . 1 1 42 42 ILE H H 1 8.13 . . . . . . . 342 ILE HN . 26996 1 57 . 1 1 42 42 ILE CA C 13 59.33 . . . . . . . 342 ILE CA . 26996 1 58 . 1 1 42 42 ILE N N 15 123.66 . . . . . . . 342 ILE N . 26996 1 59 . 1 1 43 43 SER H H 1 8.71 . . . . . . . 343 SER HN . 26996 1 60 . 1 1 43 43 SER CA C 13 56.79 . . . . . . . 343 SER CA . 26996 1 61 . 1 1 43 43 SER N N 15 120.98 . . . . . . . 343 SER N . 26996 1 62 . 1 1 44 44 GLY H H 1 8.19 . . . . . . . 344 GLY HN . 26996 1 63 . 1 1 44 44 GLY CA C 13 44.61 . . . . . . . 344 GLY CA . 26996 1 64 . 1 1 44 44 GLY N N 15 110.12 . . . . . . . 344 GLY N . 26996 1 65 . 1 1 45 45 SER H H 1 7.37 . . . . . . . 345 SER HN . 26996 1 66 . 1 1 45 45 SER CA C 13 57.37 . . . . . . . 345 SER CA . 26996 1 67 . 1 1 45 45 SER N N 15 114.89 . . . . . . . 345 SER N . 26996 1 68 . 1 1 46 46 SER H H 1 8.25 . . . . . . . 346 SER HN . 26996 1 69 . 1 1 46 46 SER CA C 13 54.15 . . . . . . . 346 SER CA . 26996 1 70 . 1 1 46 46 SER N N 15 113.33 . . . . . . . 346 SER N . 26996 1 71 . 1 1 47 47 PRO CA C 13 62.37 . . . . . . . 347 PRO CA . 26996 1 72 . 1 1 48 48 ILE H H 1 7.94 . . . . . . . 348 ILE HN . 26996 1 73 . 1 1 48 48 ILE CA C 13 60.34 . . . . . . . 348 ILE CA . 26996 1 74 . 1 1 48 48 ILE N N 15 118.35 . . . . . . . 348 ILE N . 26996 1 75 . 1 1 49 49 LEU H H 1 8.61 . . . . . . . 349 LEU HN . 26996 1 76 . 1 1 49 49 LEU CA C 13 53.18 . . . . . . . 349 LEU CA . 26996 1 77 . 1 1 49 49 LEU N N 15 127.05 . . . . . . . 349 LEU N . 26996 1 78 . 1 1 50 50 SER H H 1 8.81 . . . . . . . 350 SER HN . 26996 1 79 . 1 1 50 50 SER CA C 13 57.71 . . . . . . . 350 SER CA . 26996 1 80 . 1 1 50 50 SER N N 15 119.32 . . . . . . . 350 SER N . 26996 1 81 . 1 1 51 51 ILE H H 1 8.24 . . . . . . . 351 ILE HN . 26996 1 82 . 1 1 51 51 ILE CA C 13 58.18 . . . . . . . 351 ILE CA . 26996 1 83 . 1 1 51 51 ILE N N 15 119.24 . . . . . . . 351 ILE N . 26996 1 84 . 1 1 52 52 THR H H 1 8.74 . . . . . . . 352 THR HN . 26996 1 85 . 1 1 52 52 THR CA C 13 60.18 . . . . . . . 352 THR CA . 26996 1 86 . 1 1 52 52 THR N N 15 115.37 . . . . . . . 352 THR N . 26996 1 87 . 1 1 53 53 ILE H H 1 8.41 . . . . . . . 353 ILE HN . 26996 1 88 . 1 1 53 53 ILE CA C 13 60.69 . . . . . . . 353 ILE CA . 26996 1 89 . 1 1 53 53 ILE N N 15 124.57 . . . . . . . 353 ILE N . 26996 1 90 . 1 1 54 54 SER H H 1 8.67 . . . . . . . 354 SER HN . 26996 1 91 . 1 1 54 54 SER CA C 13 57.77 . . . . . . . 354 SER CA . 26996 1 92 . 1 1 54 54 SER N N 15 124.17 . . . . . . . 354 SER N . 26996 1 93 . 1 1 55 55 GLU H H 1 8.68 . . . . . . . 355 GLU HN . 26996 1 94 . 1 1 55 55 GLU CA C 13 58.64 . . . . . . . 355 GLU CA . 26996 1 95 . 1 1 55 55 GLU N N 15 119.91 . . . . . . . 355 GLU N . 26996 1 96 . 1 1 56 56 ASP H H 1 7.58 . . . . . . . 356 ASP HN . 26996 1 97 . 1 1 56 56 ASP CA C 13 52.15 . . . . . . . 356 ASP CA . 26996 1 98 . 1 1 56 56 ASP N N 15 115.13 . . . . . . . 356 ASP N . 26996 1 99 . 1 1 57 57 GLY H H 1 7.90 . . . . . . . 357 GLY HN . 26996 1 100 . 1 1 57 57 GLY CA C 13 46.15 . . . . . . . 357 GLY CA . 26996 1 101 . 1 1 57 57 GLY N N 15 107.64 . . . . . . . 357 GLY N . 26996 1 102 . 1 1 58 58 SER CA C 13 58.33 . . . . . . . 358 SER CA . 26996 1 103 . 1 1 59 59 MET H H 1 9.06 . . . . . . . 359 MET HN . 26996 1 104 . 1 1 59 59 MET CA C 13 54.72 . . . . . . . 359 MET CA . 26996 1 105 . 1 1 59 59 MET N N 15 126.82 . . . . . . . 359 MET N . 26996 1 106 . 1 1 60 60 SER H H 1 8.35 . . . . . . . 360 SER HN . 26996 1 107 . 1 1 60 60 SER CA C 13 56.71 . . . . . . . 360 SER CA . 26996 1 108 . 1 1 60 60 SER N N 15 115.25 . . . . . . . 360 SER N . 26996 1 109 . 1 1 61 61 ILE H H 1 8.73 . . . . . . . 361 ILE HN . 26996 1 110 . 1 1 61 61 ILE CA C 13 61.90 . . . . . . . 361 ILE CA . 26996 1 111 . 1 1 61 61 ILE N N 15 124.43 . . . . . . . 361 ILE N . 26996 1 112 . 1 1 62 62 LYS H H 1 8.68 . . . . . . . 362 LYS HN . 26996 1 113 . 1 1 62 62 LYS CA C 13 56.14 . . . . . . . 362 LYS CA . 26996 1 114 . 1 1 62 62 LYS N N 15 130.02 . . . . . . . 362 LYS N . 26996 1 115 . 1 1 63 63 ASN H H 1 8.20 . . . . . . . 363 ASN HN . 26996 1 116 . 1 1 63 63 ASN CA C 13 56.21 . . . . . . . 363 ASN CA . 26996 1 117 . 1 1 63 63 ASN N N 15 121.63 . . . . . . . 363 ASN N . 26996 1 118 . 1 1 64 64 GLU H H 1 8.17 . . . . . . . 364 GLU HN . 26996 1 119 . 1 1 64 64 GLU CA C 13 54.18 . . . . . . . 364 GLU CA . 26996 1 120 . 1 1 64 64 GLU N N 15 121.93 . . . . . . . 364 GLU N . 26996 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26996 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26996 2 2 '3D HNCA' . . . 26996 2 3 '3D HN(CO)CA' . . . 26996 2 4 '3D HNCO' . . . 26996 2 5 '3D HNCACB' . . . 26996 2 6 '2D 1H-15N HSQC' . . . 26996 2 7 '3D HNCA' . . . 26996 2 8 '3D HN(CO)CA' . . . 26996 2 9 '3D HNCO' . . . 26996 2 10 '3D HNCACB' . . . 26996 2 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 . 2 2 11 11 GLY C C 13 171.96 . . . . . . . 11 GLY C . 26996 2 2 . 2 2 11 11 GLY CA C 13 46.17 . . . . . . . 11 GLY CA . 26996 2 3 . 2 2 12 12 VAL H H 1 7.84 . . . . . . . 12 VAL HN . 26996 2 4 . 2 2 12 12 VAL CA C 13 58.29 . . . . . . . 12 VAL CA . 26996 2 5 . 2 2 12 12 VAL N N 15 116.98 . . . . . . . 12 VAL N . 26996 2 6 . 2 2 15 15 ASP C C 13 172.69 . . . . . . . 15 ASP C . 26996 2 7 . 2 2 15 15 ASP CA C 13 53.71 . . . . . . . 15 ASP CA . 26996 2 8 . 2 2 16 16 VAL H H 1 7.71 . . . . . . . 16 VAL HN . 26996 2 9 . 2 2 16 16 VAL CA C 13 59.23 . . . . . . . 16 VAL CA . 26996 2 10 . 2 2 16 16 VAL N N 15 121.35 . . . . . . . 16 VAL N . 26996 2 11 . 2 2 17 17 PRO C C 13 174.08 . . . . . . . 17 PRO C . 26996 2 12 . 2 2 17 17 PRO CA C 13 62.75 . . . . . . . 17 PRO CA . 26996 2 13 . 2 2 18 18 SER H H 1 8.18 . . . . . . . 18 SER HN . 26996 2 14 . 2 2 18 18 SER CA C 13 56.09 . . . . . . . 18 SER CA . 26996 2 15 . 2 2 18 18 SER N N 15 117.89 . . . . . . . 18 SER N . 26996 2 16 . 2 2 21 21 PRO C C 13 174.35 . . . . . . . 21 PRO C . 26996 2 17 . 2 2 21 21 PRO CA C 13 62.41 . . . . . . . 21 PRO CA . 26996 2 18 . 2 2 22 22 VAL H H 1 8.05 . . . . . . . 22 VAL HN . 26996 2 19 . 2 2 22 22 VAL C C 13 174.15 . . . . . . . 22 VAL C . 26996 2 20 . 2 2 22 22 VAL CA C 13 61.98 . . . . . . . 22 VAL CA . 26996 2 21 . 2 2 22 22 VAL N N 15 120.66 . . . . . . . 22 VAL N . 26996 2 22 . 2 2 23 23 GLY H H 1 8.32 . . . . . . . 23 GLY HN . 26996 2 23 . 2 2 23 23 GLY C C 13 171.16 . . . . . . . 23 GLY C . 26996 2 24 . 2 2 23 23 GLY CA C 13 44.69 . . . . . . . 23 GLY CA . 26996 2 25 . 2 2 23 23 GLY N N 15 112.68 . . . . . . . 23 GLY N . 26996 2 26 . 2 2 24 24 LYS H H 1 8.04 . . . . . . . 24 LYS HN . 26996 2 27 . 2 2 24 24 LYS C C 13 173.64 . . . . . . . 24 LYS C . 26996 2 28 . 2 2 24 24 LYS CA C 13 55.71 . . . . . . . 24 LYS CA . 26996 2 29 . 2 2 24 24 LYS N N 15 121.48 . . . . . . . 24 LYS N . 26996 2 30 . 2 2 25 25 ALA H H 1 8.28 . . . . . . . 25 ALA HN . 26996 2 31 . 2 2 25 25 ALA C C 13 175.74 . . . . . . . 25 ALA C . 26996 2 32 . 2 2 25 25 ALA CA C 13 52.11 . . . . . . . 25 ALA CA . 26996 2 33 . 2 2 25 25 ALA N N 15 125.57 . . . . . . . 25 ALA N . 26996 2 34 . 2 2 26 26 GLU H H 1 7.72 . . . . . . . 26 GLU HN . 26996 2 35 . 2 2 26 26 GLU CA C 13 51.76 . . . . . . . 26 GLU CA . 26996 2 36 . 2 2 26 26 GLU N N 15 129.61 . . . . . . . 26 GLU N . 26996 2 37 . 2 2 28 28 GLU C C 13 173.10 . . . . . . . 28 GLU C . 26996 2 38 . 2 2 28 28 GLU CA C 13 54.42 . . . . . . . 28 GLU CA . 26996 2 39 . 2 2 29 29 ASP H H 1 7.62 . . . . . . . 29 ASP HN . 26996 2 40 . 2 2 29 29 ASP C C 13 174.40 . . . . . . . 29 ASP C . 26996 2 41 . 2 2 29 29 ASP CA C 13 55.41 . . . . . . . 29 ASP CA . 26996 2 42 . 2 2 29 29 ASP N N 15 120.08 . . . . . . . 29 ASP N . 26996 2 43 . 2 2 30 30 GLY H H 1 8.66 . . . . . . . 30 GLY HN . 26996 2 44 . 2 2 30 30 GLY C C 13 168.58 . . . . . . . 30 GLY C . 26996 2 45 . 2 2 30 30 GLY CA C 13 44.89 . . . . . . . 30 GLY CA . 26996 2 46 . 2 2 30 30 GLY N N 15 108.18 . . . . . . . 30 GLY N . 26996 2 47 . 2 2 31 31 ALA H H 1 9.29 . . . . . . . 31 ALA HN . 26996 2 48 . 2 2 31 31 ALA C C 13 173.98 . . . . . . . 31 ALA C . 26996 2 49 . 2 2 31 31 ALA CA C 13 50.32 . . . . . . . 31 ALA CA . 26996 2 50 . 2 2 31 31 ALA N N 15 122.94 . . . . . . . 31 ALA N . 26996 2 51 . 2 2 32 32 TYR H H 1 9.39 . . . . . . . 32 TYR HN . 26996 2 52 . 2 2 32 32 TYR C C 13 172.17 . . . . . . . 32 TYR C . 26996 2 53 . 2 2 32 32 TYR CA C 13 56.52 . . . . . . . 32 TYR CA . 26996 2 54 . 2 2 32 32 TYR N N 15 123.24 . . . . . . . 32 TYR N . 26996 2 55 . 2 2 33 33 ARG H H 1 9.09 . . . . . . . 33 ARG HN . 26996 2 56 . 2 2 33 33 ARG C C 13 172.18 . . . . . . . 33 ARG C . 26996 2 57 . 2 2 33 33 ARG CA C 13 54.78 . . . . . . . 33 ARG CA . 26996 2 58 . 2 2 33 33 ARG N N 15 117.12 . . . . . . . 33 ARG N . 26996 2 59 . 2 2 34 34 ILE H H 1 8.73 . . . . . . . 34 ILE HN . 26996 2 60 . 2 2 34 34 ILE C C 13 172.67 . . . . . . . 34 ILE C . 26996 2 61 . 2 2 34 34 ILE CA C 13 60.70 . . . . . . . 34 ILE CA . 26996 2 62 . 2 2 34 34 ILE N N 15 121.53 . . . . . . . 34 ILE N . 26996 2 63 . 2 2 35 35 LYS H H 1 9.43 . . . . . . . 35 LYS HN . 26996 2 64 . 2 2 35 35 LYS C C 13 171.19 . . . . . . . 35 LYS C . 26996 2 65 . 2 2 35 35 LYS CA C 13 53.97 . . . . . . . 35 LYS CA . 26996 2 66 . 2 2 35 35 LYS N N 15 127.11 . . . . . . . 35 LYS N . 26996 2 67 . 2 2 36 36 GLN H H 1 9.06 . . . . . . . 36 GLN HN . 26996 2 68 . 2 2 36 36 GLN C C 13 172.79 . . . . . . . 36 GLN C . 26996 2 69 . 2 2 36 36 GLN CA C 13 53.61 . . . . . . . 36 GLN CA . 26996 2 70 . 2 2 36 36 GLN N N 15 122.11 . . . . . . . 36 GLN N . 26996 2 71 . 2 2 37 37 LYS H H 1 8.99 . . . . . . . 37 LYS HN . 26996 2 72 . 2 2 37 37 LYS C C 13 172.74 . . . . . . . 37 LYS C . 26996 2 73 . 2 2 37 37 LYS CA C 13 56.97 . . . . . . . 37 LYS CA . 26996 2 74 . 2 2 37 37 LYS N N 15 131.52 . . . . . . . 37 LYS N . 26996 2 75 . 2 2 38 38 GLY H H 1 7.75 . . . . . . . 38 GLY HN . 26996 2 76 . 2 2 38 38 GLY C C 13 171.76 . . . . . . . 38 GLY C . 26996 2 77 . 2 2 38 38 GLY CA C 13 43.80 . . . . . . . 38 GLY CA . 26996 2 78 . 2 2 38 38 GLY N N 15 115.73 . . . . . . . 38 GLY N . 26996 2 79 . 2 2 39 39 ILE H H 1 8.28 . . . . . . . 39 ILE HN . 26996 2 80 . 2 2 39 39 ILE C C 13 174.75 . . . . . . . 39 ILE C . 26996 2 81 . 2 2 39 39 ILE CA C 13 63.45 . . . . . . . 39 ILE CA . 26996 2 82 . 2 2 39 39 ILE N N 15 121.21 . . . . . . . 39 ILE N . 26996 2 83 . 2 2 40 40 LEU H H 1 8.19 . . . . . . . 40 LEU HN . 26996 2 84 . 2 2 40 40 LEU C C 13 174.13 . . . . . . . 40 LEU C . 26996 2 85 . 2 2 40 40 LEU CA C 13 54.02 . . . . . . . 40 LEU CA . 26996 2 86 . 2 2 40 40 LEU N N 15 119.43 . . . . . . . 40 LEU N . 26996 2 87 . 2 2 41 41 GLY H H 1 7.30 . . . . . . . 41 GLY HN . 26996 2 88 . 2 2 41 41 GLY C C 13 173.20 . . . . . . . 41 GLY C . 26996 2 89 . 2 2 41 41 GLY CA C 13 43.99 . . . . . . . 41 GLY CA . 26996 2 90 . 2 2 41 41 GLY N N 15 108.00 . . . . . . . 41 GLY N . 26996 2 91 . 2 2 42 42 TYR H H 1 8.69 . . . . . . . 42 TYR HN . 26996 2 92 . 2 2 42 42 TYR C C 13 174.09 . . . . . . . 42 TYR C . 26996 2 93 . 2 2 42 42 TYR CA C 13 58.09 . . . . . . . 42 TYR CA . 26996 2 94 . 2 2 42 42 TYR N N 15 120.75 . . . . . . . 42 TYR N . 26996 2 95 . 2 2 43 43 SER H H 1 8.48 . . . . . . . 43 SER HN . 26996 2 96 . 2 2 43 43 SER CA C 13 56.81 . . . . . . . 43 SER CA . 26996 2 97 . 2 2 43 43 SER N N 15 116.06 . . . . . . . 43 SER N . 26996 2 98 . 2 2 44 44 GLN C C 13 172.82 . . . . . . . 44 GLN C . 26996 2 99 . 2 2 44 44 GLN CA C 13 56.07 . . . . . . . 44 GLN CA . 26996 2 100 . 2 2 45 45 ILE H H 1 8.58 . . . . . . . 45 ILE HN . 26996 2 101 . 2 2 45 45 ILE C C 13 172.58 . . . . . . . 45 ILE C . 26996 2 102 . 2 2 45 45 ILE CA C 13 60.45 . . . . . . . 45 ILE CA . 26996 2 103 . 2 2 45 45 ILE N N 15 120.71 . . . . . . . 45 ILE N . 26996 2 104 . 2 2 46 46 GLY H H 1 7.70 . . . . . . . 46 GLY HN . 26996 2 105 . 2 2 46 46 GLY C C 13 167.98 . . . . . . . 46 GLY C . 26996 2 106 . 2 2 46 46 GLY CA C 13 46.01 . . . . . . . 46 GLY CA . 26996 2 107 . 2 2 46 46 GLY N N 15 111.13 . . . . . . . 46 GLY N . 26996 2 108 . 2 2 47 47 ALA H H 1 9.24 . . . . . . . 47 ALA HN . 26996 2 109 . 2 2 47 47 ALA C C 13 172.41 . . . . . . . 47 ALA C . 26996 2 110 . 2 2 47 47 ALA CA C 13 50.50 . . . . . . . 47 ALA CA . 26996 2 111 . 2 2 47 47 ALA N N 15 125.10 . . . . . . . 47 ALA N . 26996 2 112 . 2 2 48 48 GLY H H 1 8.65 . . . . . . . 48 GLY HN . 26996 2 113 . 2 2 48 48 GLY C C 13 170.37 . . . . . . . 48 GLY C . 26996 2 114 . 2 2 48 48 GLY CA C 13 46.39 . . . . . . . 48 GLY CA . 26996 2 115 . 2 2 48 48 GLY N N 15 104.78 . . . . . . . 48 GLY N . 26996 2 116 . 2 2 49 49 VAL H H 1 8.26 . . . . . . . 49 VAL HN . 26996 2 117 . 2 2 49 49 VAL C C 13 172.46 . . . . . . . 49 VAL C . 26996 2 118 . 2 2 49 49 VAL CA C 13 59.52 . . . . . . . 49 VAL CA . 26996 2 119 . 2 2 49 49 VAL N N 15 116.39 . . . . . . . 49 VAL N . 26996 2 120 . 2 2 50 50 TYR H H 1 10.00 . . . . . . . 50 TYR HN . 26996 2 121 . 2 2 50 50 TYR C C 13 172.34 . . . . . . . 50 TYR C . 26996 2 122 . 2 2 50 50 TYR CA C 13 56.96 . . . . . . . 50 TYR CA . 26996 2 123 . 2 2 50 50 TYR N N 15 134.79 . . . . . . . 50 TYR N . 26996 2 124 . 2 2 51 51 LYS H H 1 8.84 . . . . . . . 51 LYS HN . 26996 2 125 . 2 2 51 51 LYS C C 13 171.99 . . . . . . . 51 LYS C . 26996 2 126 . 2 2 51 51 LYS CA C 13 55.92 . . . . . . . 51 LYS CA . 26996 2 127 . 2 2 51 51 LYS N N 15 128.37 . . . . . . . 51 LYS N . 26996 2 128 . 2 2 52 52 GLU H H 1 9.18 . . . . . . . 52 GLU HN . 26996 2 129 . 2 2 52 52 GLU C C 13 173.83 . . . . . . . 52 GLU C . 26996 2 130 . 2 2 52 52 GLU CA C 13 56.59 . . . . . . . 52 GLU CA . 26996 2 131 . 2 2 52 52 GLU N N 15 126.54 . . . . . . . 52 GLU N . 26996 2 132 . 2 2 53 53 GLY H H 1 8.39 . . . . . . . 53 GLY HN . 26996 2 133 . 2 2 53 53 GLY C C 13 171.01 . . . . . . . 53 GLY C . 26996 2 134 . 2 2 53 53 GLY CA C 13 45.42 . . . . . . . 53 GLY CA . 26996 2 135 . 2 2 53 53 GLY N N 15 105.08 . . . . . . . 53 GLY N . 26996 2 136 . 2 2 54 54 THR H H 1 7.35 . . . . . . . 54 THR HN . 26996 2 137 . 2 2 54 54 THR C C 13 169.43 . . . . . . . 54 THR C . 26996 2 138 . 2 2 54 54 THR CA C 13 60.42 . . . . . . . 54 THR CA . 26996 2 139 . 2 2 54 54 THR N N 15 117.62 . . . . . . . 54 THR N . 26996 2 140 . 2 2 55 55 PHE H H 1 8.87 . . . . . . . 55 PHE HN . 26996 2 141 . 2 2 55 55 PHE C C 13 170.12 . . . . . . . 55 PHE C . 26996 2 142 . 2 2 55 55 PHE CA C 13 56.87 . . . . . . . 55 PHE CA . 26996 2 143 . 2 2 55 55 PHE N N 15 126.66 . . . . . . . 55 PHE N . 26996 2 144 . 2 2 56 56 HIS H H 1 7.84 . . . . . . . 56 HIS HN . 26996 2 145 . 2 2 56 56 HIS C C 13 170.78 . . . . . . . 56 HIS C . 26996 2 146 . 2 2 56 56 HIS CA C 13 55.07 . . . . . . . 56 HIS CA . 26996 2 147 . 2 2 56 56 HIS N N 15 127.28 . . . . . . . 56 HIS N . 26996 2 148 . 2 2 57 57 THR H H 1 8.83 . . . . . . . 57 THR HN . 26996 2 149 . 2 2 57 57 THR C C 13 170.15 . . . . . . . 57 THR C . 26996 2 150 . 2 2 57 57 THR CA C 13 60.09 . . . . . . . 57 THR CA . 26996 2 151 . 2 2 57 57 THR N N 15 117.49 . . . . . . . 57 THR N . 26996 2 152 . 2 2 58 58 MET H H 1 8.52 . . . . . . . 58 MET HN . 26996 2 153 . 2 2 58 58 MET C C 13 174.90 . . . . . . . 58 MET C . 26996 2 154 . 2 2 58 58 MET CA C 13 54.32 . . . . . . . 58 MET CA . 26996 2 155 . 2 2 58 58 MET N N 15 117.52 . . . . . . . 58 MET N . 26996 2 156 . 2 2 59 59 TRP H H 1 7.27 . . . . . . . 59 TRP HN . 26996 2 157 . 2 2 59 59 TRP C C 13 175.98 . . . . . . . 59 TRP C . 26996 2 158 . 2 2 59 59 TRP CA C 13 61.32 . . . . . . . 59 TRP CA . 26996 2 159 . 2 2 59 59 TRP N N 15 126.03 . . . . . . . 59 TRP N . 26996 2 160 . 2 2 60 60 HIS H H 1 9.91 . . . . . . . 60 HIS HN . 26996 2 161 . 2 2 60 60 HIS C C 13 172.44 . . . . . . . 60 HIS C . 26996 2 162 . 2 2 60 60 HIS CA C 13 58.66 . . . . . . . 60 HIS CA . 26996 2 163 . 2 2 60 60 HIS N N 15 113.16 . . . . . . . 60 HIS N . 26996 2 164 . 2 2 61 61 VAL H H 1 6.86 . . . . . . . 61 VAL HN . 26996 2 165 . 2 2 61 61 VAL C C 13 172.98 . . . . . . . 61 VAL C . 26996 2 166 . 2 2 61 61 VAL CA C 13 64.44 . . . . . . . 61 VAL CA . 26996 2 167 . 2 2 61 61 VAL N N 15 119.56 . . . . . . . 61 VAL N . 26996 2 168 . 2 2 62 62 THR H H 1 6.18 . . . . . . . 62 THR HN . 26996 2 169 . 2 2 62 62 THR C C 13 172.96 . . . . . . . 62 THR C . 26996 2 170 . 2 2 62 62 THR CA C 13 60.35 . . . . . . . 62 THR CA . 26996 2 171 . 2 2 62 62 THR N N 15 101.58 . . . . . . . 62 THR N . 26996 2 172 . 2 2 63 63 ARG H H 1 8.85 . . . . . . . 63 ARG HN . 26996 2 173 . 2 2 63 63 ARG C C 13 172.84 . . . . . . . 63 ARG C . 26996 2 174 . 2 2 63 63 ARG CA C 13 55.61 . . . . . . . 63 ARG CA . 26996 2 175 . 2 2 63 63 ARG N N 15 121.34 . . . . . . . 63 ARG N . 26996 2 176 . 2 2 64 64 GLY H H 1 6.72 . . . . . . . 64 GLY HN . 26996 2 177 . 2 2 64 64 GLY C C 13 170.54 . . . . . . . 64 GLY C . 26996 2 178 . 2 2 64 64 GLY CA C 13 44.49 . . . . . . . 64 GLY CA . 26996 2 179 . 2 2 64 64 GLY N N 15 101.39 . . . . . . . 64 GLY N . 26996 2 180 . 2 2 65 65 ALA H H 1 7.23 . . . . . . . 65 ALA HN . 26996 2 181 . 2 2 65 65 ALA C C 13 175.06 . . . . . . . 65 ALA C . 26996 2 182 . 2 2 65 65 ALA CA C 13 51.62 . . . . . . . 65 ALA CA . 26996 2 183 . 2 2 65 65 ALA N N 15 121.25 . . . . . . . 65 ALA N . 26996 2 184 . 2 2 66 66 VAL H H 1 8.30 . . . . . . . 66 VAL HN . 26996 2 185 . 2 2 66 66 VAL C C 13 171.34 . . . . . . . 66 VAL C . 26996 2 186 . 2 2 66 66 VAL CA C 13 63.60 . . . . . . . 66 VAL CA . 26996 2 187 . 2 2 66 66 VAL N N 15 120.62 . . . . . . . 66 VAL N . 26996 2 188 . 2 2 67 67 LEU H H 1 7.81 . . . . . . . 67 LEU HN . 26996 2 189 . 2 2 67 67 LEU C C 13 172.30 . . . . . . . 67 LEU C . 26996 2 190 . 2 2 67 67 LEU CA C 13 52.28 . . . . . . . 67 LEU CA . 26996 2 191 . 2 2 67 67 LEU N N 15 122.65 . . . . . . . 67 LEU N . 26996 2 192 . 2 2 68 68 MET H H 1 8.03 . . . . . . . 68 MET HN . 26996 2 193 . 2 2 68 68 MET C C 13 172.77 . . . . . . . 68 MET C . 26996 2 194 . 2 2 68 68 MET CA C 13 52.64 . . . . . . . 68 MET CA . 26996 2 195 . 2 2 68 68 MET N N 15 117.69 . . . . . . . 68 MET N . 26996 2 196 . 2 2 69 69 HIS H H 1 8.68 . . . . . . . 69 HIS HN . 26996 2 197 . 2 2 69 69 HIS C C 13 171.83 . . . . . . . 69 HIS C . 26996 2 198 . 2 2 69 69 HIS CA C 13 55.81 . . . . . . . 69 HIS CA . 26996 2 199 . 2 2 69 69 HIS N N 15 120.24 . . . . . . . 69 HIS N . 26996 2 200 . 2 2 70 70 LYS H H 1 9.37 . . . . . . . 70 LYS HN . 26996 2 201 . 2 2 70 70 LYS C C 13 173.91 . . . . . . . 70 LYS C . 26996 2 202 . 2 2 70 70 LYS CA C 13 56.54 . . . . . . . 70 LYS CA . 26996 2 203 . 2 2 70 70 LYS N N 15 128.69 . . . . . . . 70 LYS N . 26996 2 204 . 2 2 71 71 GLY H H 1 8.60 . . . . . . . 71 GLY HN . 26996 2 205 . 2 2 71 71 GLY C C 13 170.98 . . . . . . . 71 GLY C . 26996 2 206 . 2 2 71 71 GLY CA C 13 44.83 . . . . . . . 71 GLY CA . 26996 2 207 . 2 2 71 71 GLY N N 15 104.91 . . . . . . . 71 GLY N . 26996 2 208 . 2 2 72 72 LYS H H 1 7.77 . . . . . . . 72 LYS HN . 26996 2 209 . 2 2 72 72 LYS C C 13 172.19 . . . . . . . 72 LYS C . 26996 2 210 . 2 2 72 72 LYS CA C 13 54.51 . . . . . . . 72 LYS CA . 26996 2 211 . 2 2 72 72 LYS N N 15 122.44 . . . . . . . 72 LYS N . 26996 2 212 . 2 2 73 73 ARG H H 1 8.27 . . . . . . . 73 ARG HN . 26996 2 213 . 2 2 73 73 ARG C C 13 173.64 . . . . . . . 73 ARG C . 26996 2 214 . 2 2 73 73 ARG CA C 13 55.65 . . . . . . . 73 ARG CA . 26996 2 215 . 2 2 73 73 ARG N N 15 124.11 . . . . . . . 73 ARG N . 26996 2 216 . 2 2 74 74 ILE H H 1 9.23 . . . . . . . 74 ILE HN . 26996 2 217 . 2 2 74 74 ILE C C 13 172.13 . . . . . . . 74 ILE C . 26996 2 218 . 2 2 74 74 ILE CA C 13 60.56 . . . . . . . 74 ILE CA . 26996 2 219 . 2 2 74 74 ILE N N 15 125.87 . . . . . . . 74 ILE N . 26996 2 220 . 2 2 75 75 GLU H H 1 8.53 . . . . . . . 75 GLU HN . 26996 2 221 . 2 2 75 75 GLU CA C 13 53.92 . . . . . . . 75 GLU CA . 26996 2 222 . 2 2 75 75 GLU N N 15 125.47 . . . . . . . 75 GLU N . 26996 2 223 . 2 2 76 76 PRO C C 13 174.42 . . . . . . . 76 PRO C . 26996 2 224 . 2 2 76 76 PRO CA C 13 61.08 . . . . . . . 76 PRO CA . 26996 2 225 . 2 2 77 77 SER H H 1 9.82 . . . . . . . 77 SER HN . 26996 2 226 . 2 2 77 77 SER C C 13 170.75 . . . . . . . 77 SER C . 26996 2 227 . 2 2 77 77 SER CA C 13 58.68 . . . . . . . 77 SER CA . 26996 2 228 . 2 2 77 77 SER N N 15 123.17 . . . . . . . 77 SER N . 26996 2 229 . 2 2 78 78 TRP H H 1 7.75 . . . . . . . 78 TRP HN . 26996 2 230 . 2 2 78 78 TRP C C 13 169.77 . . . . . . . 78 TRP C . 26996 2 231 . 2 2 78 78 TRP CA C 13 57.64 . . . . . . . 78 TRP CA . 26996 2 232 . 2 2 78 78 TRP N N 15 124.19 . . . . . . . 78 TRP N . 26996 2 233 . 2 2 79 79 ALA H H 1 6.98 . . . . . . . 79 ALA HN . 26996 2 234 . 2 2 79 79 ALA C C 13 172.10 . . . . . . . 79 ALA C . 26996 2 235 . 2 2 79 79 ALA CA C 13 51.25 . . . . . . . 79 ALA CA . 26996 2 236 . 2 2 79 79 ALA N N 15 126.05 . . . . . . . 79 ALA N . 26996 2 237 . 2 2 80 80 ASP H H 1 7.50 . . . . . . . 80 ASP HN . 26996 2 238 . 2 2 80 80 ASP C C 13 173.45 . . . . . . . 80 ASP C . 26996 2 239 . 2 2 80 80 ASP CA C 13 52.88 . . . . . . . 80 ASP CA . 26996 2 240 . 2 2 80 80 ASP N N 15 117.84 . . . . . . . 80 ASP N . 26996 2 241 . 2 2 81 81 VAL H H 1 8.17 . . . . . . . 81 VAL HN . 26996 2 242 . 2 2 81 81 VAL C C 13 174.41 . . . . . . . 81 VAL C . 26996 2 243 . 2 2 81 81 VAL CA C 13 65.31 . . . . . . . 81 VAL CA . 26996 2 244 . 2 2 81 81 VAL N N 15 125.87 . . . . . . . 81 VAL N . 26996 2 245 . 2 2 82 82 LYS H H 1 7.56 . . . . . . . 82 LYS HN . 26996 2 246 . 2 2 82 82 LYS C C 13 175.28 . . . . . . . 82 LYS C . 26996 2 247 . 2 2 82 82 LYS CA C 13 59.00 . . . . . . . 82 LYS CA . 26996 2 248 . 2 2 82 82 LYS N N 15 121.04 . . . . . . . 82 LYS N . 26996 2 249 . 2 2 83 83 LYS H H 1 7.32 . . . . . . . 83 LYS HN . 26996 2 250 . 2 2 83 83 LYS C C 13 173.30 . . . . . . . 83 LYS C . 26996 2 251 . 2 2 83 83 LYS CA C 13 56.35 . . . . . . . 83 LYS CA . 26996 2 252 . 2 2 83 83 LYS N N 15 115.94 . . . . . . . 83 LYS N . 26996 2 253 . 2 2 84 84 ASP H H 1 7.83 . . . . . . . 84 ASP HN . 26996 2 254 . 2 2 84 84 ASP C C 13 172.36 . . . . . . . 84 ASP C . 26996 2 255 . 2 2 84 84 ASP CA C 13 54.49 . . . . . . . 84 ASP CA . 26996 2 256 . 2 2 84 84 ASP N N 15 118.13 . . . . . . . 84 ASP N . 26996 2 257 . 2 2 85 85 LEU H H 1 7.64 . . . . . . . 85 LEU HN . 26996 2 258 . 2 2 85 85 LEU C C 13 171.94 . . . . . . . 85 LEU C . 26996 2 259 . 2 2 85 85 LEU CA C 13 53.91 . . . . . . . 85 LEU CA . 26996 2 260 . 2 2 85 85 LEU N N 15 116.90 . . . . . . . 85 LEU N . 26996 2 261 . 2 2 86 86 ILE H H 1 8.59 . . . . . . . 86 ILE HN . 26996 2 262 . 2 2 86 86 ILE C C 13 168.70 . . . . . . . 86 ILE C . 26996 2 263 . 2 2 86 86 ILE CA C 13 59.95 . . . . . . . 86 ILE CA . 26996 2 264 . 2 2 86 86 ILE N N 15 118.91 . . . . . . . 86 ILE N . 26996 2 265 . 2 2 87 87 SER H H 1 9.87 . . . . . . . 87 SER HN . 26996 2 266 . 2 2 87 87 SER C C 13 171.16 . . . . . . . 87 SER C . 26996 2 267 . 2 2 87 87 SER CA C 13 56.57 . . . . . . . 87 SER CA . 26996 2 268 . 2 2 87 87 SER N N 15 121.41 . . . . . . . 87 SER N . 26996 2 269 . 2 2 88 88 TYR H H 1 9.34 . . . . . . . 88 TYR HN . 26996 2 270 . 2 2 88 88 TYR C C 13 173.10 . . . . . . . 88 TYR C . 26996 2 271 . 2 2 88 88 TYR CA C 13 56.91 . . . . . . . 88 TYR CA . 26996 2 272 . 2 2 88 88 TYR N N 15 121.00 . . . . . . . 88 TYR N . 26996 2 273 . 2 2 89 89 GLY H H 1 8.27 . . . . . . . 89 GLY HN . 26996 2 274 . 2 2 89 89 GLY C C 13 170.48 . . . . . . . 89 GLY C . 26996 2 275 . 2 2 89 89 GLY CA C 13 45.46 . . . . . . . 89 GLY CA . 26996 2 276 . 2 2 89 89 GLY N N 15 112.76 . . . . . . . 89 GLY N . 26996 2 277 . 2 2 90 90 GLY H H 1 7.33 . . . . . . . 90 GLY HN . 26996 2 278 . 2 2 90 90 GLY C C 13 169.94 . . . . . . . 90 GLY C . 26996 2 279 . 2 2 90 90 GLY CA C 13 43.72 . . . . . . . 90 GLY CA . 26996 2 280 . 2 2 90 90 GLY N N 15 108.20 . . . . . . . 90 GLY N . 26996 2 281 . 2 2 91 91 GLY H H 1 8.22 . . . . . . . 91 GLY HN . 26996 2 282 . 2 2 91 91 GLY C C 13 169.59 . . . . . . . 91 GLY C . 26996 2 283 . 2 2 91 91 GLY CA C 13 43.45 . . . . . . . 91 GLY CA . 26996 2 284 . 2 2 91 91 GLY N N 15 106.22 . . . . . . . 91 GLY N . 26996 2 285 . 2 2 92 92 TRP H H 1 7.88 . . . . . . . 92 TRP HN . 26996 2 286 . 2 2 92 92 TRP C C 13 175.52 . . . . . . . 92 TRP C . 26996 2 287 . 2 2 92 92 TRP CA C 13 59.57 . . . . . . . 92 TRP CA . 26996 2 288 . 2 2 92 92 TRP N N 15 120.05 . . . . . . . 92 TRP N . 26996 2 289 . 2 2 93 93 LYS H H 1 11.26 . . . . . . . 93 LYS HN . 26996 2 290 . 2 2 93 93 LYS C C 13 174.12 . . . . . . . 93 LYS C . 26996 2 291 . 2 2 93 93 LYS CA C 13 53.64 . . . . . . . 93 LYS CA . 26996 2 292 . 2 2 93 93 LYS N N 15 127.68 . . . . . . . 93 LYS N . 26996 2 293 . 2 2 94 94 LEU H H 1 5.71 . . . . . . . 94 LEU HN . 26996 2 294 . 2 2 94 94 LEU C C 13 174.48 . . . . . . . 94 LEU C . 26996 2 295 . 2 2 94 94 LEU CA C 13 54.74 . . . . . . . 94 LEU CA . 26996 2 296 . 2 2 94 94 LEU N N 15 117.95 . . . . . . . 94 LEU N . 26996 2 297 . 2 2 95 95 GLU H H 1 8.94 . . . . . . . 95 GLU HN . 26996 2 298 . 2 2 95 95 GLU C C 13 174.34 . . . . . . . 95 GLU C . 26996 2 299 . 2 2 95 95 GLU CA C 13 55.73 . . . . . . . 95 GLU CA . 26996 2 300 . 2 2 95 95 GLU N N 15 121.27 . . . . . . . 95 GLU N . 26996 2 301 . 2 2 96 96 GLY H H 1 7.63 . . . . . . . 96 GLY HN . 26996 2 302 . 2 2 96 96 GLY C C 13 170.11 . . . . . . . 96 GLY C . 26996 2 303 . 2 2 96 96 GLY CA C 13 46.05 . . . . . . . 96 GLY CA . 26996 2 304 . 2 2 96 96 GLY N N 15 109.48 . . . . . . . 96 GLY N . 26996 2 305 . 2 2 97 97 GLU H H 1 8.62 . . . . . . . 97 GLU HN . 26996 2 306 . 2 2 97 97 GLU C C 13 172.67 . . . . . . . 97 GLU C . 26996 2 307 . 2 2 97 97 GLU CA C 13 54.09 . . . . . . . 97 GLU CA . 26996 2 308 . 2 2 97 97 GLU N N 15 125.72 . . . . . . . 97 GLU N . 26996 2 309 . 2 2 98 98 TRP H H 1 9.33 . . . . . . . 98 TRP HN . 26996 2 310 . 2 2 98 98 TRP C C 13 171.81 . . . . . . . 98 TRP C . 26996 2 311 . 2 2 98 98 TRP CA C 13 58.88 . . . . . . . 98 TRP CA . 26996 2 312 . 2 2 98 98 TRP N N 15 129.90 . . . . . . . 98 TRP N . 26996 2 313 . 2 2 99 99 LYS H H 1 7.19 . . . . . . . 99 LYS HN . 26996 2 314 . 2 2 99 99 LYS C C 13 170.27 . . . . . . . 99 LYS C . 26996 2 315 . 2 2 99 99 LYS CA C 13 53.29 . . . . . . . 99 LYS CA . 26996 2 316 . 2 2 99 99 LYS N N 15 130.11 . . . . . . . 99 LYS N . 26996 2 317 . 2 2 100 100 GLU H H 1 7.38 . . . . . . . 100 GLU HN . 26996 2 318 . 2 2 100 100 GLU C C 13 171.79 . . . . . . . 100 GLU C . 26996 2 319 . 2 2 100 100 GLU CA C 13 57.21 . . . . . . . 100 GLU CA . 26996 2 320 . 2 2 100 100 GLU N N 15 121.57 . . . . . . . 100 GLU N . 26996 2 321 . 2 2 101 101 GLY H H 1 7.80 . . . . . . . 101 GLY HN . 26996 2 322 . 2 2 101 101 GLY C C 13 172.86 . . . . . . . 101 GLY C . 26996 2 323 . 2 2 101 101 GLY CA C 13 44.65 . . . . . . . 101 GLY CA . 26996 2 324 . 2 2 101 101 GLY N N 15 113.35 . . . . . . . 101 GLY N . 26996 2 325 . 2 2 102 102 GLU H H 1 8.03 . . . . . . . 102 GLU HN . 26996 2 326 . 2 2 102 102 GLU CA C 13 53.69 . . . . . . . 102 GLU CA . 26996 2 327 . 2 2 102 102 GLU N N 15 122.18 . . . . . . . 102 GLU N . 26996 2 328 . 2 2 103 103 GLU C C 13 172.87 . . . . . . . 103 GLU C . 26996 2 329 . 2 2 103 103 GLU CA C 13 56.91 . . . . . . . 103 GLU CA . 26996 2 330 . 2 2 104 104 VAL H H 1 8.68 . . . . . . . 104 VAL HN . 26996 2 331 . 2 2 104 104 VAL C C 13 172.19 . . . . . . . 104 VAL C . 26996 2 332 . 2 2 104 104 VAL CA C 13 58.42 . . . . . . . 104 VAL CA . 26996 2 333 . 2 2 104 104 VAL N N 15 110.15 . . . . . . . 104 VAL N . 26996 2 334 . 2 2 105 105 GLN H H 1 9.01 . . . . . . . 105 GLN HN . 26996 2 335 . 2 2 105 105 GLN C C 13 173.63 . . . . . . . 105 GLN C . 26996 2 336 . 2 2 105 105 GLN CA C 13 53.13 . . . . . . . 105 GLN CA . 26996 2 337 . 2 2 105 105 GLN N N 15 117.00 . . . . . . . 105 GLN N . 26996 2 338 . 2 2 106 106 VAL H H 1 8.77 . . . . . . . 106 VAL HN . 26996 2 339 . 2 2 106 106 VAL C C 13 173.38 . . . . . . . 106 VAL C . 26996 2 340 . 2 2 106 106 VAL CA C 13 61.26 . . . . . . . 106 VAL CA . 26996 2 341 . 2 2 106 106 VAL N N 15 121.52 . . . . . . . 106 VAL N . 26996 2 342 . 2 2 107 107 LEU H H 1 8.06 . . . . . . . 107 LEU HN . 26996 2 343 . 2 2 107 107 LEU C C 13 172.91 . . . . . . . 107 LEU C . 26996 2 344 . 2 2 107 107 LEU CA C 13 57.46 . . . . . . . 107 LEU CA . 26996 2 345 . 2 2 107 107 LEU N N 15 123.51 . . . . . . . 107 LEU N . 26996 2 346 . 2 2 108 108 ALA H H 1 7.73 . . . . . . . 108 ALA HN . 26996 2 347 . 2 2 108 108 ALA CA C 13 55.64 . . . . . . . 108 ALA CA . 26996 2 348 . 2 2 108 108 ALA N N 15 123.16 . . . . . . . 108 ALA N . 26996 2 349 . 2 2 109 109 LEU C C 13 172.14 . . . . . . . 109 LEU C . 26996 2 350 . 2 2 109 109 LEU CA C 13 51.84 . . . . . . . 109 LEU CA . 26996 2 351 . 2 2 110 110 GLU H H 1 7.98 . . . . . . . 110 GLU HN . 26996 2 352 . 2 2 110 110 GLU CA C 13 54.20 . . . . . . . 110 GLU CA . 26996 2 353 . 2 2 110 110 GLU N N 15 121.12 . . . . . . . 110 GLU N . 26996 2 354 . 2 2 111 111 PRO C C 13 175.21 . . . . . . . 111 PRO C . 26996 2 355 . 2 2 111 111 PRO CA C 13 63.25 . . . . . . . 111 PRO CA . 26996 2 356 . 2 2 112 112 GLY H H 1 8.77 . . . . . . . 112 GLY HN . 26996 2 357 . 2 2 112 112 GLY C C 13 170.72 . . . . . . . 112 GLY C . 26996 2 358 . 2 2 112 112 GLY CA C 13 45.40 . . . . . . . 112 GLY CA . 26996 2 359 . 2 2 112 112 GLY N N 15 112.10 . . . . . . . 112 GLY N . 26996 2 360 . 2 2 113 113 LYS H H 1 7.60 . . . . . . . 113 LYS HN . 26996 2 361 . 2 2 113 113 LYS C C 13 173.59 . . . . . . . 113 LYS C . 26996 2 362 . 2 2 113 113 LYS CA C 13 53.23 . . . . . . . 113 LYS CA . 26996 2 363 . 2 2 113 113 LYS N N 15 118.75 . . . . . . . 113 LYS N . 26996 2 364 . 2 2 114 114 ASN H H 1 8.60 . . . . . . . 114 ASN HN . 26996 2 365 . 2 2 114 114 ASN CA C 13 51.75 . . . . . . . 114 ASN CA . 26996 2 366 . 2 2 114 114 ASN N N 15 120.89 . . . . . . . 114 ASN N . 26996 2 367 . 2 2 115 115 PRO C C 13 172.09 . . . . . . . 115 PRO C . 26996 2 368 . 2 2 115 115 PRO CA C 13 63.29 . . . . . . . 115 PRO CA . 26996 2 369 . 2 2 116 116 ARG H H 1 7.80 . . . . . . . 116 ARG HN . 26996 2 370 . 2 2 116 116 ARG C C 13 169.43 . . . . . . . 116 ARG C . 26996 2 371 . 2 2 116 116 ARG CA C 13 54.82 . . . . . . . 116 ARG CA . 26996 2 372 . 2 2 116 116 ARG N N 15 123.50 . . . . . . . 116 ARG N . 26996 2 373 . 2 2 117 117 ALA H H 1 8.31 . . . . . . . 117 ALA HN . 26996 2 374 . 2 2 117 117 ALA C C 13 174.32 . . . . . . . 117 ALA C . 26996 2 375 . 2 2 117 117 ALA CA C 13 56.14 . . . . . . . 117 ALA CA . 26996 2 376 . 2 2 117 117 ALA N N 15 127.06 . . . . . . . 117 ALA N . 26996 2 377 . 2 2 118 118 VAL H H 1 8.34 . . . . . . . 118 VAL HN . 26996 2 378 . 2 2 118 118 VAL C C 13 171.20 . . . . . . . 118 VAL C . 26996 2 379 . 2 2 118 118 VAL CA C 13 61.40 . . . . . . . 118 VAL CA . 26996 2 380 . 2 2 118 118 VAL N N 15 122.75 . . . . . . . 118 VAL N . 26996 2 381 . 2 2 119 119 GLN H H 1 9.26 . . . . . . . 119 GLN HN . 26996 2 382 . 2 2 119 119 GLN C C 13 170.95 . . . . . . . 119 GLN C . 26996 2 383 . 2 2 119 119 GLN CA C 13 54.04 . . . . . . . 119 GLN CA . 26996 2 384 . 2 2 119 119 GLN N N 15 130.30 . . . . . . . 119 GLN N . 26996 2 385 . 2 2 120 120 THR H H 1 9.02 . . . . . . . 120 THR HN . 26996 2 386 . 2 2 120 120 THR C C 13 168.09 . . . . . . . 120 THR C . 26996 2 387 . 2 2 120 120 THR CA C 13 60.14 . . . . . . . 120 THR CA . 26996 2 388 . 2 2 120 120 THR N N 15 118.00 . . . . . . . 120 THR N . 26996 2 389 . 2 2 121 121 LYS H H 1 7.82 . . . . . . . 121 LYS HN . 26996 2 390 . 2 2 121 121 LYS C C 13 175.77 . . . . . . . 121 LYS C . 26996 2 391 . 2 2 121 121 LYS CA C 13 52.57 . . . . . . . 121 LYS CA . 26996 2 392 . 2 2 121 121 LYS N N 15 127.83 . . . . . . . 121 LYS N . 26996 2 393 . 2 2 122 122 PRO CA C 13 63.06 . . . . . . . 122 PRO CA . 26996 2 394 . 2 2 123 123 GLY H H 1 8.55 . . . . . . . 123 GLY HN . 26996 2 395 . 2 2 123 123 GLY C C 13 169.72 . . . . . . . 123 GLY C . 26996 2 396 . 2 2 123 123 GLY CA C 13 42.87 . . . . . . . 123 GLY CA . 26996 2 397 . 2 2 123 123 GLY N N 15 107.97 . . . . . . . 123 GLY N . 26996 2 398 . 2 2 124 124 LEU H H 1 8.43 . . . . . . . 124 LEU HN . 26996 2 399 . 2 2 124 124 LEU C C 13 172.76 . . . . . . . 124 LEU C . 26996 2 400 . 2 2 124 124 LEU CA C 13 53.76 . . . . . . . 124 LEU CA . 26996 2 401 . 2 2 124 124 LEU N N 15 118.21 . . . . . . . 124 LEU N . 26996 2 402 . 2 2 125 125 PHE H H 1 9.30 . . . . . . . 125 PHE HN . 26996 2 403 . 2 2 125 125 PHE C C 13 173.31 . . . . . . . 125 PHE C . 26996 2 404 . 2 2 125 125 PHE CA C 13 52.93 . . . . . . . 125 PHE CA . 26996 2 405 . 2 2 125 125 PHE N N 15 119.71 . . . . . . . 125 PHE N . 26996 2 406 . 2 2 126 126 LYS H H 1 9.15 . . . . . . . 126 LYS HN . 26996 2 407 . 2 2 126 126 LYS C C 13 173.76 . . . . . . . 126 LYS C . 26996 2 408 . 2 2 126 126 LYS CA C 13 55.49 . . . . . . . 126 LYS CA . 26996 2 409 . 2 2 126 126 LYS N N 15 122.85 . . . . . . . 126 LYS N . 26996 2 410 . 2 2 127 127 THR H H 1 8.14 . . . . . . . 127 THR HN . 26996 2 411 . 2 2 127 127 THR CA C 13 59.40 . . . . . . . 127 THR CA . 26996 2 412 . 2 2 127 127 THR N N 15 115.97 . . . . . . . 127 THR N . 26996 2 413 . 2 2 129 129 THR C C 13 172.96 . . . . . . . 129 THR C . 26996 2 414 . 2 2 129 129 THR CA C 13 65.44 . . . . . . . 129 THR CA . 26996 2 415 . 2 2 130 130 GLY H H 1 9.54 . . . . . . . 130 GLY HN . 26996 2 416 . 2 2 130 130 GLY C C 13 170.57 . . . . . . . 130 GLY C . 26996 2 417 . 2 2 130 130 GLY CA C 13 44.61 . . . . . . . 130 GLY CA . 26996 2 418 . 2 2 130 130 GLY N N 15 116.22 . . . . . . . 130 GLY N . 26996 2 419 . 2 2 131 131 THR H H 1 8.46 . . . . . . . 131 THR HN . 26996 2 420 . 2 2 131 131 THR C C 13 171.79 . . . . . . . 131 THR C . 26996 2 421 . 2 2 131 131 THR CA C 13 60.66 . . . . . . . 131 THR CA . 26996 2 422 . 2 2 131 131 THR N N 15 116.36 . . . . . . . 131 THR N . 26996 2 423 . 2 2 132 132 ILE H H 1 9.01 . . . . . . . 132 ILE HN . 26996 2 424 . 2 2 132 132 ILE C C 13 172.34 . . . . . . . 132 ILE C . 26996 2 425 . 2 2 132 132 ILE CA C 13 59.63 . . . . . . . 132 ILE CA . 26996 2 426 . 2 2 132 132 ILE N N 15 123.69 . . . . . . . 132 ILE N . 26996 2 427 . 2 2 133 133 GLY H H 1 8.94 . . . . . . . 133 GLY HN . 26996 2 428 . 2 2 133 133 GLY C C 13 169.03 . . . . . . . 133 GLY C . 26996 2 429 . 2 2 133 133 GLY CA C 13 46.21 . . . . . . . 133 GLY CA . 26996 2 430 . 2 2 133 133 GLY N N 15 112.28 . . . . . . . 133 GLY N . 26996 2 431 . 2 2 134 134 ALA H H 1 6.89 . . . . . . . 134 ALA HN . 26996 2 432 . 2 2 134 134 ALA C C 13 172.94 . . . . . . . 134 ALA C . 26996 2 433 . 2 2 134 134 ALA CA C 13 49.67 . . . . . . . 134 ALA CA . 26996 2 434 . 2 2 134 134 ALA N N 15 124.25 . . . . . . . 134 ALA N . 26996 2 435 . 2 2 135 135 VAL H H 1 9.11 . . . . . . . 135 VAL HN . 26996 2 436 . 2 2 135 135 VAL C C 13 172.27 . . . . . . . 135 VAL C . 26996 2 437 . 2 2 135 135 VAL CA C 13 58.63 . . . . . . . 135 VAL CA . 26996 2 438 . 2 2 135 135 VAL N N 15 117.23 . . . . . . . 135 VAL N . 26996 2 439 . 2 2 136 136 SER H H 1 9.59 . . . . . . . 136 SER HN . 26996 2 440 . 2 2 136 136 SER C C 13 170.77 . . . . . . . 136 SER C . 26996 2 441 . 2 2 136 136 SER CA C 13 54.56 . . . . . . . 136 SER CA . 26996 2 442 . 2 2 136 136 SER N N 15 127.60 . . . . . . . 136 SER N . 26996 2 443 . 2 2 137 137 LEU H H 1 6.87 . . . . . . . 137 LEU HN . 26996 2 444 . 2 2 137 137 LEU C C 13 172.15 . . . . . . . 137 LEU C . 26996 2 445 . 2 2 137 137 LEU CA C 13 52.88 . . . . . . . 137 LEU CA . 26996 2 446 . 2 2 137 137 LEU N N 15 119.57 . . . . . . . 137 LEU N . 26996 2 447 . 2 2 138 138 ASP H H 1 8.58 . . . . . . . 138 ASP HN . 26996 2 448 . 2 2 138 138 ASP C C 13 171.44 . . . . . . . 138 ASP C . 26996 2 449 . 2 2 138 138 ASP CA C 13 52.90 . . . . . . . 138 ASP CA . 26996 2 450 . 2 2 138 138 ASP N N 15 125.91 . . . . . . . 138 ASP N . 26996 2 451 . 2 2 139 139 PHE H H 1 7.28 . . . . . . . 139 PHE HN . 26996 2 452 . 2 2 139 139 PHE C C 13 171.63 . . . . . . . 139 PHE C . 26996 2 453 . 2 2 139 139 PHE CA C 13 55.55 . . . . . . . 139 PHE CA . 26996 2 454 . 2 2 139 139 PHE N N 15 123.32 . . . . . . . 139 PHE N . 26996 2 455 . 2 2 140 140 SER H H 1 9.28 . . . . . . . 140 SER HN . 26996 2 456 . 2 2 140 140 SER CA C 13 57.58 . . . . . . . 140 SER CA . 26996 2 457 . 2 2 140 140 SER N N 15 114.27 . . . . . . . 140 SER N . 26996 2 458 . 2 2 141 141 PRO C C 13 171.47 . . . . . . . 141 PRO C . 26996 2 459 . 2 2 141 141 PRO CA C 13 60.58 . . . . . . . 141 PRO CA . 26996 2 460 . 2 2 142 142 GLY H H 1 7.30 . . . . . . . 142 GLY HN . 26996 2 461 . 2 2 142 142 GLY C C 13 170.14 . . . . . . . 142 GLY C . 26996 2 462 . 2 2 142 142 GLY CA C 13 44.61 . . . . . . . 142 GLY CA . 26996 2 463 . 2 2 142 142 GLY N N 15 111.00 . . . . . . . 142 GLY N . 26996 2 464 . 2 2 143 143 THR H H 1 7.56 . . . . . . . 143 THR HN . 26996 2 465 . 2 2 143 143 THR C C 13 172.57 . . . . . . . 143 THR C . 26996 2 466 . 2 2 143 143 THR CA C 13 63.38 . . . . . . . 143 THR CA . 26996 2 467 . 2 2 143 143 THR N N 15 117.33 . . . . . . . 143 THR N . 26996 2 468 . 2 2 144 144 SER H H 1 10.05 . . . . . . . 144 SER HN . 26996 2 469 . 2 2 144 144 SER C C 13 170.55 . . . . . . . 144 SER C . 26996 2 470 . 2 2 144 144 SER CA C 13 62.00 . . . . . . . 144 SER CA . 26996 2 471 . 2 2 144 144 SER N N 15 125.57 . . . . . . . 144 SER N . 26996 2 472 . 2 2 145 145 GLY H H 1 9.90 . . . . . . . 145 GLY HN . 26996 2 473 . 2 2 145 145 GLY C C 13 170.06 . . . . . . . 145 GLY C . 26996 2 474 . 2 2 145 145 GLY CA C 13 43.86 . . . . . . . 145 GLY CA . 26996 2 475 . 2 2 145 145 GLY N N 15 111.05 . . . . . . . 145 GLY N . 26996 2 476 . 2 2 146 146 SER H H 1 8.10 . . . . . . . 146 SER HN . 26996 2 477 . 2 2 146 146 SER CA C 13 59.27 . . . . . . . 146 SER CA . 26996 2 478 . 2 2 146 146 SER N N 15 116.21 . . . . . . . 146 SER N . 26996 2 479 . 2 2 147 147 PRO C C 13 170.62 . . . . . . . 147 PRO C . 26996 2 480 . 2 2 147 147 PRO CA C 13 62.11 . . . . . . . 147 PRO CA . 26996 2 481 . 2 2 148 148 ILE H H 1 8.24 . . . . . . . 148 ILE HN . 26996 2 482 . 2 2 148 148 ILE C C 13 173.01 . . . . . . . 148 ILE C . 26996 2 483 . 2 2 148 148 ILE CA C 13 59.78 . . . . . . . 148 ILE CA . 26996 2 484 . 2 2 148 148 ILE N N 15 120.31 . . . . . . . 148 ILE N . 26996 2 485 . 2 2 149 149 VAL H H 1 9.76 . . . . . . . 149 VAL HN . 26996 2 486 . 2 2 149 149 VAL C C 13 172.74 . . . . . . . 149 VAL C . 26996 2 487 . 2 2 149 149 VAL CA C 13 60.04 . . . . . . . 149 VAL CA . 26996 2 488 . 2 2 149 149 VAL N N 15 126.07 . . . . . . . 149 VAL N . 26996 2 489 . 2 2 150 150 ASP H H 1 8.72 . . . . . . . 150 ASP HN . 26996 2 490 . 2 2 150 150 ASP CA C 13 51.71 . . . . . . . 150 ASP CA . 26996 2 491 . 2 2 150 150 ASP N N 15 122.58 . . . . . . . 150 ASP N . 26996 2 492 . 2 2 151 151 LYS H H 1 7.78 . . . . . . . 151 LYS HN . 26996 2 493 . 2 2 151 151 LYS CA C 13 57.68 . . . . . . . 151 LYS CA . 26996 2 494 . 2 2 151 151 LYS N N 15 116.36 . . . . . . . 151 LYS N . 26996 2 495 . 2 2 152 152 LYS H H 1 7.72 . . . . . . . 152 LYS HN . 26996 2 496 . 2 2 152 152 LYS CA C 13 55.04 . . . . . . . 152 LYS CA . 26996 2 497 . 2 2 152 152 LYS N N 15 118.90 . . . . . . . 152 LYS N . 26996 2 498 . 2 2 153 153 GLY H H 1 8.63 . . . . . . . 153 GLY HN . 26996 2 499 . 2 2 153 153 GLY CA C 13 45.19 . . . . . . . 153 GLY CA . 26996 2 500 . 2 2 153 153 GLY N N 15 110.15 . . . . . . . 153 GLY N . 26996 2 501 . 2 2 154 154 LYS H H 1 8.39 . . . . . . . 154 LYS HN . 26996 2 502 . 2 2 154 154 LYS CA C 13 53.69 . . . . . . . 154 LYS CA . 26996 2 503 . 2 2 154 154 LYS N N 15 120.20 . . . . . . . 154 LYS N . 26996 2 504 . 2 2 155 155 VAL H H 1 8.90 . . . . . . . 155 VAL HN . 26996 2 505 . 2 2 155 155 VAL CA C 13 62.14 . . . . . . . 155 VAL CA . 26996 2 506 . 2 2 155 155 VAL N N 15 123.33 . . . . . . . 155 VAL N . 26996 2 507 . 2 2 156 156 VAL H H 1 8.88 . . . . . . . 156 VAL HN . 26996 2 508 . 2 2 156 156 VAL CA C 13 60.07 . . . . . . . 156 VAL CA . 26996 2 509 . 2 2 156 156 VAL N N 15 120.84 . . . . . . . 156 VAL N . 26996 2 510 . 2 2 157 157 GLY H H 1 7.38 . . . . . . . 157 GLY HN . 26996 2 511 . 2 2 157 157 GLY CA C 13 44.58 . . . . . . . 157 GLY CA . 26996 2 512 . 2 2 157 157 GLY N N 15 104.94 . . . . . . . 157 GLY N . 26996 2 513 . 2 2 158 158 LEU H H 1 9.21 . . . . . . . 158 LEU HN . 26996 2 514 . 2 2 158 158 LEU CA C 13 53.03 . . . . . . . 158 LEU CA . 26996 2 515 . 2 2 158 158 LEU N N 15 117.58 . . . . . . . 158 LEU N . 26996 2 516 . 2 2 159 159 TYR H H 1 8.52 . . . . . . . 159 TYR HN . 26996 2 517 . 2 2 159 159 TYR CA C 13 57.87 . . . . . . . 159 TYR CA . 26996 2 518 . 2 2 159 159 TYR N N 15 121.88 . . . . . . . 159 TYR N . 26996 2 519 . 2 2 160 160 GLY H H 1 7.77 . . . . . . . 160 GLY HN . 26996 2 520 . 2 2 160 160 GLY CA C 13 45.81 . . . . . . . 160 GLY CA . 26996 2 521 . 2 2 160 160 GLY N N 15 113.60 . . . . . . . 160 GLY N . 26996 2 522 . 2 2 161 161 ASN H H 1 9.20 . . . . . . . 161 ASN HN . 26996 2 523 . 2 2 161 161 ASN CA C 13 52.32 . . . . . . . 161 ASN CA . 26996 2 524 . 2 2 161 161 ASN N N 15 121.79 . . . . . . . 161 ASN N . 26996 2 525 . 2 2 162 162 GLY H H 1 7.81 . . . . . . . 162 GLY HN . 26996 2 526 . 2 2 162 162 GLY CA C 13 46.38 . . . . . . . 162 GLY CA . 26996 2 527 . 2 2 162 162 GLY N N 15 113.29 . . . . . . . 162 GLY N . 26996 2 528 . 2 2 163 163 VAL H H 1 8.34 . . . . . . . 163 VAL HN . 26996 2 529 . 2 2 163 163 VAL CA C 13 58.66 . . . . . . . 163 VAL CA . 26996 2 530 . 2 2 163 163 VAL N N 15 112.34 . . . . . . . 163 VAL N . 26996 2 531 . 2 2 164 164 VAL H H 1 7.57 . . . . . . . 164 VAL HN . 26996 2 532 . 2 2 164 164 VAL CA C 13 60.09 . . . . . . . 164 VAL CA . 26996 2 533 . 2 2 164 164 VAL N N 15 118.41 . . . . . . . 164 VAL N . 26996 2 534 . 2 2 165 165 THR H H 1 8.87 . . . . . . . 165 THR HN . 26996 2 535 . 2 2 165 165 THR CA C 13 61.06 . . . . . . . 165 THR CA . 26996 2 536 . 2 2 165 165 THR N N 15 118.47 . . . . . . . 165 THR N . 26996 2 537 . 2 2 167 167 SER CA C 13 58.17 . . . . . . . 167 SER CA . 26996 2 538 . 2 2 168 168 GLY H H 1 8.01 . . . . . . . 168 GLY HN . 26996 2 539 . 2 2 168 168 GLY CA C 13 44.47 . . . . . . . 168 GLY CA . 26996 2 540 . 2 2 168 168 GLY N N 15 111.22 . . . . . . . 168 GLY N . 26996 2 541 . 2 2 169 169 ALA H H 1 7.14 . . . . . . . 169 ALA HN . 26996 2 542 . 2 2 169 169 ALA CA C 13 51.25 . . . . . . . 169 ALA CA . 26996 2 543 . 2 2 169 169 ALA N N 15 124.54 . . . . . . . 169 ALA N . 26996 2 544 . 2 2 170 170 TYR H H 1 8.02 . . . . . . . 170 TYR HN . 26996 2 545 . 2 2 170 170 TYR CA C 13 57.54 . . . . . . . 170 TYR CA . 26996 2 546 . 2 2 170 170 TYR N N 15 123.47 . . . . . . . 170 TYR N . 26996 2 547 . 2 2 171 171 VAL H H 1 7.82 . . . . . . . 171 VAL HN . 26996 2 548 . 2 2 171 171 VAL CA C 13 59.58 . . . . . . . 171 VAL CA . 26996 2 549 . 2 2 171 171 VAL N N 15 126.66 . . . . . . . 171 VAL N . 26996 2 550 . 2 2 172 172 SER H H 1 8.33 . . . . . . . 172 SER HN . 26996 2 551 . 2 2 172 172 SER CA C 13 55.69 . . . . . . . 172 SER CA . 26996 2 552 . 2 2 172 172 SER N N 15 117.65 . . . . . . . 172 SER N . 26996 2 553 . 2 2 173 173 ALA H H 1 9.44 . . . . . . . 173 ALA HN . 26996 2 554 . 2 2 173 173 ALA CA C 13 52.90 . . . . . . . 173 ALA CA . 26996 2 555 . 2 2 173 173 ALA N N 15 130.04 . . . . . . . 173 ALA N . 26996 2 556 . 2 2 174 174 ILE H H 1 7.68 . . . . . . . 174 ILE HN . 26996 2 557 . 2 2 174 174 ILE CA C 13 61.61 . . . . . . . 174 ILE CA . 26996 2 558 . 2 2 174 174 ILE N N 15 122.47 . . . . . . . 174 ILE N . 26996 2 559 . 2 2 175 175 ALA H H 1 7.50 . . . . . . . 175 ALA HN . 26996 2 560 . 2 2 175 175 ALA CA C 13 53.04 . . . . . . . 175 ALA CA . 26996 2 561 . 2 2 175 175 ALA N N 15 131.09 . . . . . . . 175 ALA N . 26996 2 562 . 2 2 176 176 GLN H H 1 8.14 . . . . . . . 176 GLN HN . 26996 2 563 . 2 2 176 176 GLN CA C 13 52.88 . . . . . . . 176 GLN CA . 26996 2 564 . 2 2 176 176 GLN N N 15 124.85 . . . . . . . 176 GLN N . 26996 2 565 . 2 2 177 177 THR H H 1 7.89 . . . . . . . 177 THR HN . 26996 2 566 . 2 2 177 177 THR CA C 13 59.28 . . . . . . . 177 THR CA . 26996 2 567 . 2 2 177 177 THR N N 15 118.81 . . . . . . . 177 THR N . 26996 2 568 . 2 2 178 178 GLU H H 1 7.65 . . . . . . . 178 GLU HN . 26996 2 569 . 2 2 178 178 GLU CA C 13 56.45 . . . . . . . 178 GLU CA . 26996 2 570 . 2 2 178 178 GLU N N 15 121.81 . . . . . . . 178 GLU N . 26996 2 571 . 2 2 179 179 LYS H H 1 8.20 . . . . . . . 179 LYS HN . 26996 2 572 . 2 2 179 179 LYS CA C 13 56.51 . . . . . . . 179 LYS CA . 26996 2 573 . 2 2 179 179 LYS N N 15 123.30 . . . . . . . 179 LYS N . 26996 2 574 . 2 2 180 180 SER H H 1 8.65 . . . . . . . 180 SER HN . 26996 2 575 . 2 2 180 180 SER CA C 13 57.72 . . . . . . . 180 SER CA . 26996 2 576 . 2 2 180 180 SER N N 15 120.44 . . . . . . . 180 SER N . 26996 2 577 . 2 2 181 181 ILE H H 1 8.17 . . . . . . . 181 ILE HN . 26996 2 578 . 2 2 181 181 ILE CA C 13 60.59 . . . . . . . 181 ILE CA . 26996 2 579 . 2 2 181 181 ILE N N 15 123.64 . . . . . . . 181 ILE N . 26996 2 580 . 2 2 182 182 GLU H H 1 8.22 . . . . . . . 182 GLU HN . 26996 2 581 . 2 2 182 182 GLU CA C 13 55.86 . . . . . . . 182 GLU CA . 26996 2 582 . 2 2 182 182 GLU N N 15 124.61 . . . . . . . 182 GLU N . 26996 2 583 . 2 2 183 183 ASP H H 1 8.22 . . . . . . . 183 ASP HN . 26996 2 584 . 2 2 183 183 ASP CA C 13 53.99 . . . . . . . 183 ASP CA . 26996 2 585 . 2 2 183 183 ASP N N 15 122.23 . . . . . . . 183 ASP N . 26996 2 586 . 2 2 184 184 ASN H H 1 8.28 . . . . . . . 184 ASN HN . 26996 2 587 . 2 2 184 184 ASN CA C 13 50.95 . . . . . . . 184 ASN CA . 26996 2 588 . 2 2 184 184 ASN N N 15 120.05 . . . . . . . 184 ASN N . 26996 2 589 . 2 2 185 185 PRO CA C 13 62.98 . . . . . . . 185 PRO CA . 26996 2 590 . 2 2 186 186 GLU H H 1 8.25 . . . . . . . 186 GLU HN . 26996 2 591 . 2 2 186 186 GLU CA C 13 56.16 . . . . . . . 186 GLU CA . 26996 2 592 . 2 2 186 186 GLU N N 15 120.82 . . . . . . . 186 GLU N . 26996 2 593 . 2 2 187 187 ILE H H 1 7.90 . . . . . . . 187 ILE HN . 26996 2 594 . 2 2 187 187 ILE CA C 13 60.51 . . . . . . . 187 ILE CA . 26996 2 595 . 2 2 187 187 ILE N N 15 121.91 . . . . . . . 187 ILE N . 26996 2 596 . 2 2 190 190 ASP CA C 13 55.10 . . . . . . . 190 ASP CA . 26996 2 597 . 2 2 191 191 ILE H H 1 8.07 . . . . . . . 191 ILE HN . 26996 2 598 . 2 2 191 191 ILE N N 15 108.29 . . . . . . . 191 ILE N . 26996 2 stop_ save_