data_5930 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5930 _Entry.Title ; Backbone 1H, 15N, 13C Resonance Assignment of a-ADT ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-09-02 _Entry.Accession_date 2003-09-02 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael John . . . 5930 2 Markus Heller . . . 5930 3 Murray Coles . . . 5930 4 Gundula Bosch . . . 5930 5 Wolfgang Baumeister . . . 5930 6 Horst Kessler . . . 5930 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5930 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 299 5930 '13C chemical shifts' 290 5930 '15N chemical shifts' 145 5930 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 . . 2004-04-07 2003-09-02 original author . 5930 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5936 'chmeical shifts of b-ADT' 5930 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5930 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014236 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 15N and 13C resonance assignments of [agr]-ADT and [bgr]-ADT ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _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 209 _Citation.Page_last 210 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael John . . . 5930 1 2 Markus Heller . . . 5930 1 3 Murray Coles . . . 5930 1 4 Gundula Bosch . . . 5930 1 5 Wolfgang Baumeister . . . 5930 1 6 Horst Kessler . . . 5930 1 stop_ save_ save_citation_Wishart(1995) _Citation.Sf_category citations _Citation.Sf_framecode citation_Wishart(1995) _Citation.Entry_ID 5930 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation 'J. Biomol. NMR, 6 (1995) 135-140.' _Citation.Title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . 5930 2 2 'C G' Bigam C. G. . 5930 2 3 J Yao J. . . 5930 2 4 F Abildgaard F. . . 5930 2 5 'H J' Dyson H. J. . 5930 2 6 E Oldfield E. . . 5930 2 7 'J L' Markley J. L. . 5930 2 8 'B D' Sykes B. D. . 5930 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_aADT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_aADT _Assembly.Entry_ID 5930 _Assembly.ID 1 _Assembly.Name aADT _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5930 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 aADT 1 $aADT . . . native . . . . . 5930 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ASS . . . . . 'PDB-entry is an XRAY structure' 5930 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID aADT system 5930 1 aADT abbreviation 5930 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID chaperonin 5930 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_aADT _Entity.Sf_category entity _Entity.Sf_framecode aADT _Entity.Entry_ID 5930 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'apical domain of the Thermosome' _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 ; MSGIVIDKEKVHSKMPDVVK NAKIALIDSALEIKKTEIEA KVQISDPSKIQDFLNQETNT FKQMVEKIKKSGANVVLCQK GIDDVAQHYLAKEGIYAVRR VKKSDMEKLAKATGAKIVTD LDDLTPSVLGEAETVEERKI GDDRMTFVMGCKNHHHHHH ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A6D . "Thermosome From T. Acidophilum" . . . . . 96.23 545 99.35 100.00 2.26e-99 . . . . 5930 1 2 no PDB 1A6E . "Thermosome-Mg-Adp-Alf3 Complex" . . . . . 96.23 545 99.35 100.00 2.26e-99 . . . . 5930 1 3 no PDB 1ASS . "Apical Domain Of The Chaperonin From Thermoplasma Acidophilum" . . . . . 100.00 159 100.00 100.00 5.95e-110 . . . . 5930 1 4 no PDB 1ASX . "Apical Domain Of The Chaperonin From Thermoplasma Acidophilum" . . . . . 100.00 159 100.00 100.00 5.95e-110 . . . . 5930 1 5 no EMBL CAA86610 . "thermosome alpha-subunit [Thermoplasma acidophilum]" . . . . . 96.23 545 99.35 100.00 3.26e-99 . . . . 5930 1 6 no EMBL CAC12109 . "thermosome, alpha chain [Thermoplasma acidophilum]" . . . . . 96.23 549 99.35 100.00 3.11e-99 . . . . 5930 1 7 no REF NP_394440 . "thermosome, alpha chain [Thermoplasma acidophilum DSM 1728]" . . . . . 96.23 549 99.35 100.00 3.11e-99 . . . . 5930 1 8 no REF WP_010901391 . "thermosome subunit [Thermoplasma acidophilum]" . . . . . 96.23 549 99.35 100.00 3.11e-99 . . . . 5930 1 9 no SP P48424 . "RecName: Full=Thermosome subunit alpha; AltName: Full=Chaperonin subunit alpha; AltName: Full=Thermosome subunit 1 [Thermoplasm" . . . . . 96.23 545 99.35 100.00 3.26e-99 . . . . 5930 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'apical domain of the Thermosome' common 5930 1 aADT abbreviation 5930 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 1 213 MET . 5930 1 2 214 SER . 5930 1 3 215 GLY . 5930 1 4 216 ILE . 5930 1 5 217 VAL . 5930 1 6 218 ILE . 5930 1 7 219 ASP . 5930 1 8 220 LYS . 5930 1 9 221 GLU . 5930 1 10 222 LYS . 5930 1 11 223 VAL . 5930 1 12 224 HIS . 5930 1 13 225 SER . 5930 1 14 226 LYS . 5930 1 15 227 MET . 5930 1 16 228 PRO . 5930 1 17 229 ASP . 5930 1 18 230 VAL . 5930 1 19 231 VAL . 5930 1 20 232 LYS . 5930 1 21 233 ASN . 5930 1 22 234 ALA . 5930 1 23 235 LYS . 5930 1 24 236 ILE . 5930 1 25 237 ALA . 5930 1 26 238 LEU . 5930 1 27 239 ILE . 5930 1 28 240 ASP . 5930 1 29 241 SER . 5930 1 30 242 ALA . 5930 1 31 243 LEU . 5930 1 32 244 GLU . 5930 1 33 245 ILE . 5930 1 34 246 LYS . 5930 1 35 247 LYS . 5930 1 36 248 THR . 5930 1 37 249 GLU . 5930 1 38 250 ILE . 5930 1 39 251 GLU . 5930 1 40 252 ALA . 5930 1 41 253 LYS . 5930 1 42 254 VAL . 5930 1 43 255 GLN . 5930 1 44 256 ILE . 5930 1 45 257 SER . 5930 1 46 258 ASP . 5930 1 47 259 PRO . 5930 1 48 260 SER . 5930 1 49 261 LYS . 5930 1 50 262 ILE . 5930 1 51 263 GLN . 5930 1 52 264 ASP . 5930 1 53 265 PHE . 5930 1 54 266 LEU . 5930 1 55 267 ASN . 5930 1 56 268 GLN . 5930 1 57 269 GLU . 5930 1 58 270 THR . 5930 1 59 271 ASN . 5930 1 60 272 THR . 5930 1 61 273 PHE . 5930 1 62 274 LYS . 5930 1 63 275 GLN . 5930 1 64 276 MET . 5930 1 65 277 VAL . 5930 1 66 278 GLU . 5930 1 67 279 LYS . 5930 1 68 280 ILE . 5930 1 69 281 LYS . 5930 1 70 282 LYS . 5930 1 71 283 SER . 5930 1 72 284 GLY . 5930 1 73 285 ALA . 5930 1 74 286 ASN . 5930 1 75 287 VAL . 5930 1 76 288 VAL . 5930 1 77 289 LEU . 5930 1 78 290 CYS . 5930 1 79 291 GLN . 5930 1 80 292 LYS . 5930 1 81 293 GLY . 5930 1 82 294 ILE . 5930 1 83 295 ASP . 5930 1 84 296 ASP . 5930 1 85 297 VAL . 5930 1 86 298 ALA . 5930 1 87 299 GLN . 5930 1 88 300 HIS . 5930 1 89 301 TYR . 5930 1 90 302 LEU . 5930 1 91 303 ALA . 5930 1 92 304 LYS . 5930 1 93 305 GLU . 5930 1 94 306 GLY . 5930 1 95 307 ILE . 5930 1 96 308 TYR . 5930 1 97 309 ALA . 5930 1 98 310 VAL . 5930 1 99 311 ARG . 5930 1 100 312 ARG . 5930 1 101 313 VAL . 5930 1 102 314 LYS . 5930 1 103 315 LYS . 5930 1 104 316 SER . 5930 1 105 317 ASP . 5930 1 106 318 MET . 5930 1 107 319 GLU . 5930 1 108 320 LYS . 5930 1 109 321 LEU . 5930 1 110 322 ALA . 5930 1 111 323 LYS . 5930 1 112 324 ALA . 5930 1 113 325 THR . 5930 1 114 326 GLY . 5930 1 115 327 ALA . 5930 1 116 328 LYS . 5930 1 117 329 ILE . 5930 1 118 330 VAL . 5930 1 119 331 THR . 5930 1 120 332 ASP . 5930 1 121 333 LEU . 5930 1 122 334 ASP . 5930 1 123 335 ASP . 5930 1 124 336 LEU . 5930 1 125 337 THR . 5930 1 126 338 PRO . 5930 1 127 339 SER . 5930 1 128 340 VAL . 5930 1 129 341 LEU . 5930 1 130 342 GLY . 5930 1 131 343 GLU . 5930 1 132 344 ALA . 5930 1 133 345 GLU . 5930 1 134 346 THR . 5930 1 135 347 VAL . 5930 1 136 348 GLU . 5930 1 137 349 GLU . 5930 1 138 350 ARG . 5930 1 139 351 LYS . 5930 1 140 352 ILE . 5930 1 141 353 GLY . 5930 1 142 354 ASP . 5930 1 143 355 ASP . 5930 1 144 356 ARG . 5930 1 145 357 MET . 5930 1 146 358 THR . 5930 1 147 359 PHE . 5930 1 148 360 VAL . 5930 1 149 361 MET . 5930 1 150 362 GLY . 5930 1 151 363 CYS . 5930 1 152 364 LYS . 5930 1 153 365 ASN . 5930 1 154 1 HIS . 5930 1 155 2 HIS . 5930 1 156 3 HIS . 5930 1 157 4 HIS . 5930 1 158 5 HIS . 5930 1 159 6 HIS . 5930 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 5930 1 . SER 2 2 5930 1 . GLY 3 3 5930 1 . ILE 4 4 5930 1 . VAL 5 5 5930 1 . ILE 6 6 5930 1 . ASP 7 7 5930 1 . LYS 8 8 5930 1 . GLU 9 9 5930 1 . LYS 10 10 5930 1 . VAL 11 11 5930 1 . HIS 12 12 5930 1 . SER 13 13 5930 1 . LYS 14 14 5930 1 . MET 15 15 5930 1 . PRO 16 16 5930 1 . ASP 17 17 5930 1 . VAL 18 18 5930 1 . VAL 19 19 5930 1 . LYS 20 20 5930 1 . ASN 21 21 5930 1 . ALA 22 22 5930 1 . LYS 23 23 5930 1 . ILE 24 24 5930 1 . ALA 25 25 5930 1 . LEU 26 26 5930 1 . ILE 27 27 5930 1 . ASP 28 28 5930 1 . SER 29 29 5930 1 . ALA 30 30 5930 1 . LEU 31 31 5930 1 . GLU 32 32 5930 1 . ILE 33 33 5930 1 . LYS 34 34 5930 1 . LYS 35 35 5930 1 . THR 36 36 5930 1 . GLU 37 37 5930 1 . ILE 38 38 5930 1 . GLU 39 39 5930 1 . ALA 40 40 5930 1 . LYS 41 41 5930 1 . VAL 42 42 5930 1 . GLN 43 43 5930 1 . ILE 44 44 5930 1 . SER 45 45 5930 1 . ASP 46 46 5930 1 . PRO 47 47 5930 1 . SER 48 48 5930 1 . LYS 49 49 5930 1 . ILE 50 50 5930 1 . GLN 51 51 5930 1 . ASP 52 52 5930 1 . PHE 53 53 5930 1 . LEU 54 54 5930 1 . ASN 55 55 5930 1 . GLN 56 56 5930 1 . GLU 57 57 5930 1 . THR 58 58 5930 1 . ASN 59 59 5930 1 . THR 60 60 5930 1 . PHE 61 61 5930 1 . LYS 62 62 5930 1 . GLN 63 63 5930 1 . MET 64 64 5930 1 . VAL 65 65 5930 1 . GLU 66 66 5930 1 . LYS 67 67 5930 1 . ILE 68 68 5930 1 . LYS 69 69 5930 1 . LYS 70 70 5930 1 . SER 71 71 5930 1 . GLY 72 72 5930 1 . ALA 73 73 5930 1 . ASN 74 74 5930 1 . VAL 75 75 5930 1 . VAL 76 76 5930 1 . LEU 77 77 5930 1 . CYS 78 78 5930 1 . GLN 79 79 5930 1 . LYS 80 80 5930 1 . GLY 81 81 5930 1 . ILE 82 82 5930 1 . ASP 83 83 5930 1 . ASP 84 84 5930 1 . VAL 85 85 5930 1 . ALA 86 86 5930 1 . GLN 87 87 5930 1 . HIS 88 88 5930 1 . TYR 89 89 5930 1 . LEU 90 90 5930 1 . ALA 91 91 5930 1 . LYS 92 92 5930 1 . GLU 93 93 5930 1 . GLY 94 94 5930 1 . ILE 95 95 5930 1 . TYR 96 96 5930 1 . ALA 97 97 5930 1 . VAL 98 98 5930 1 . ARG 99 99 5930 1 . ARG 100 100 5930 1 . VAL 101 101 5930 1 . LYS 102 102 5930 1 . LYS 103 103 5930 1 . SER 104 104 5930 1 . ASP 105 105 5930 1 . MET 106 106 5930 1 . GLU 107 107 5930 1 . LYS 108 108 5930 1 . LEU 109 109 5930 1 . ALA 110 110 5930 1 . LYS 111 111 5930 1 . ALA 112 112 5930 1 . THR 113 113 5930 1 . GLY 114 114 5930 1 . ALA 115 115 5930 1 . LYS 116 116 5930 1 . ILE 117 117 5930 1 . VAL 118 118 5930 1 . THR 119 119 5930 1 . ASP 120 120 5930 1 . LEU 121 121 5930 1 . ASP 122 122 5930 1 . ASP 123 123 5930 1 . LEU 124 124 5930 1 . THR 125 125 5930 1 . PRO 126 126 5930 1 . SER 127 127 5930 1 . VAL 128 128 5930 1 . LEU 129 129 5930 1 . GLY 130 130 5930 1 . GLU 131 131 5930 1 . ALA 132 132 5930 1 . GLU 133 133 5930 1 . THR 134 134 5930 1 . VAL 135 135 5930 1 . GLU 136 136 5930 1 . GLU 137 137 5930 1 . ARG 138 138 5930 1 . LYS 139 139 5930 1 . ILE 140 140 5930 1 . GLY 141 141 5930 1 . ASP 142 142 5930 1 . ASP 143 143 5930 1 . ARG 144 144 5930 1 . MET 145 145 5930 1 . THR 146 146 5930 1 . PHE 147 147 5930 1 . VAL 148 148 5930 1 . MET 149 149 5930 1 . GLY 150 150 5930 1 . CYS 151 151 5930 1 . LYS 152 152 5930 1 . ASN 153 153 5930 1 . HIS 154 154 5930 1 . HIS 155 155 5930 1 . HIS 156 156 5930 1 . HIS 157 157 5930 1 . HIS 158 158 5930 1 . HIS 159 159 5930 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 5930 _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 $aADT . 2303 . . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 5930 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 5930 _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 $aADT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5930 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 5930 _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 'apical domain of the Thermosome' [U-15N] . . 1 $aADT . . . 0.7 1.0 mM . . . . 5930 1 2 'Na Phosphate' . . . . . . . 25 . . mM . . . . 5930 1 3 NaCl . . . . . . . 100 . . mM . . . . 5930 1 stop_ save_ save_sample_CN _Sample.Sf_category sample _Sample.Sf_framecode sample_CN _Sample.Entry_ID 5930 _Sample.ID 2 _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 'apical domain of the Thermosome' '[U-13C; U-15N]' . . 1 $aADT . . . 0.7 1.0 mM . . . . 5930 2 2 'Na Phosphate' . . . . . . . 25 . . mM . . . . 5930 2 3 NaCl . . . . . . . 100 . . mM . . . . 5930 2 stop_ save_ ####################### # Sample conditions # ####################### save_general_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode general_condition _Sample_condition_list.Entry_ID 5930 _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 5.5 0.2 n/a 5930 1 temperature 315 0.2 K 5930 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5930 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5930 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 5930 _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_1 Bruker DMX . 750 . . . 5930 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5930 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 5930 _Experiment_list.ID 1 _Experiment_list.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 5930 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 5930 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5930 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5930 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_aADT_bb _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode aADT_bb _Assigned_chem_shift_list.Entry_ID 5930 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $general_condition _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_15N . 5930 1 . . 2 $sample_CN . 5930 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 3 3 GLY C C 13 172.4 0.1 . 1 . . . . . . . . 5930 1 2 . 1 1 3 3 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5930 1 3 . 1 1 4 4 ILE H H 1 8.77 0.01 . 1 . . . . . . . . 5930 1 4 . 1 1 4 4 ILE HA H 1 4.31 0.01 . 1 . . . . . . . . 5930 1 5 . 1 1 4 4 ILE C C 13 173.5 0.1 . 1 . . . . . . . . 5930 1 6 . 1 1 4 4 ILE CA C 13 60.2 0.1 . 1 . . . . . . . . 5930 1 7 . 1 1 4 4 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 5930 1 8 . 1 1 5 5 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 5930 1 9 . 1 1 5 5 VAL HA H 1 4.28 0.01 . 1 . . . . . . . . 5930 1 10 . 1 1 5 5 VAL C C 13 175.1 0.1 . 1 . . . . . . . . 5930 1 11 . 1 1 5 5 VAL CA C 13 61 0.1 . 1 . . . . . . . . 5930 1 12 . 1 1 5 5 VAL N N 15 126.7 0.1 . 1 . . . . . . . . 5930 1 13 . 1 1 6 6 ILE H H 1 9.22 0.01 . 1 . . . . . . . . 5930 1 14 . 1 1 6 6 ILE HA H 1 4.39 0.01 . 1 . . . . . . . . 5930 1 15 . 1 1 6 6 ILE C C 13 176 0.1 . 1 . . . . . . . . 5930 1 16 . 1 1 6 6 ILE CA C 13 58.6 0.1 . 1 . . . . . . . . 5930 1 17 . 1 1 6 6 ILE N N 15 127.8 0.1 . 1 . . . . . . . . 5930 1 18 . 1 1 7 7 ASP H H 1 8.94 0.01 . 1 . . . . . . . . 5930 1 19 . 1 1 7 7 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 5930 1 20 . 1 1 7 7 ASP CA C 13 54 0.1 . 1 . . . . . . . . 5930 1 21 . 1 1 7 7 ASP N N 15 131.4 0.1 . 1 . . . . . . . . 5930 1 22 . 1 1 8 8 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 5930 1 23 . 1 1 8 8 LYS HA H 1 4.67 0.01 . 1 . . . . . . . . 5930 1 24 . 1 1 8 8 LYS C C 13 174.1 0.1 . 1 . . . . . . . . 5930 1 25 . 1 1 8 8 LYS CA C 13 54 0.1 . 1 . . . . . . . . 5930 1 26 . 1 1 8 8 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5930 1 27 . 1 1 9 9 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 5930 1 28 . 1 1 9 9 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 5930 1 29 . 1 1 9 9 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 5930 1 30 . 1 1 9 9 GLU CA C 13 54.2 0.1 . 1 . . . . . . . . 5930 1 31 . 1 1 9 9 GLU N N 15 123.1 0.1 . 1 . . . . . . . . 5930 1 32 . 1 1 10 10 LYS H H 1 8.57 0.01 . 1 . . . . . . . . 5930 1 33 . 1 1 10 10 LYS HA H 1 4 0.01 . 1 . . . . . . . . 5930 1 34 . 1 1 10 10 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 5930 1 35 . 1 1 10 10 LYS CA C 13 56 0.1 . 1 . . . . . . . . 5930 1 36 . 1 1 10 10 LYS N N 15 122 0.1 . 1 . . . . . . . . 5930 1 37 . 1 1 11 11 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 5930 1 38 . 1 1 11 11 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 5930 1 39 . 1 1 11 11 VAL C C 13 173.1 0.1 . 1 . . . . . . . . 5930 1 40 . 1 1 11 11 VAL CA C 13 64.2 0.1 . 1 . . . . . . . . 5930 1 41 . 1 1 11 11 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5930 1 42 . 1 1 12 12 HIS H H 1 7.46 0.01 . 1 . . . . . . . . 5930 1 43 . 1 1 12 12 HIS HA H 1 4.88 0.01 . 1 . . . . . . . . 5930 1 44 . 1 1 12 12 HIS C C 13 176.2 0.1 . 1 . . . . . . . . 5930 1 45 . 1 1 12 12 HIS CA C 13 55.9 0.1 . 1 . . . . . . . . 5930 1 46 . 1 1 12 12 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 5930 1 47 . 1 1 13 13 SER H H 1 8.31 0.01 . 1 . . . . . . . . 5930 1 48 . 1 1 13 13 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 5930 1 49 . 1 1 13 13 SER C C 13 175.7 0.1 . 1 . . . . . . . . 5930 1 50 . 1 1 13 13 SER CA C 13 61.4 0.1 . 1 . . . . . . . . 5930 1 51 . 1 1 13 13 SER N N 15 123.4 0.1 . 1 . . . . . . . . 5930 1 52 . 1 1 14 14 LYS H H 1 10.53 0.01 . 1 . . . . . . . . 5930 1 53 . 1 1 14 14 LYS HA H 1 4.52 0.01 . 1 . . . . . . . . 5930 1 54 . 1 1 14 14 LYS C C 13 178.2 0.1 . 1 . . . . . . . . 5930 1 55 . 1 1 14 14 LYS CA C 13 55.7 0.1 . 1 . . . . . . . . 5930 1 56 . 1 1 14 14 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5930 1 57 . 1 1 15 15 MET H H 1 7.74 0.01 . 1 . . . . . . . . 5930 1 58 . 1 1 15 15 MET HA H 1 4.22 0.01 . 1 . . . . . . . . 5930 1 59 . 1 1 15 15 MET CA C 13 56.1 0.1 . 1 . . . . . . . . 5930 1 60 . 1 1 15 15 MET N N 15 119.8 0.1 . 1 . . . . . . . . 5930 1 61 . 1 1 16 16 PRO HA H 1 4.47 0.01 . 1 . . . . . . . . 5930 1 62 . 1 1 16 16 PRO C C 13 174.4 0.1 . 1 . . . . . . . . 5930 1 63 . 1 1 16 16 PRO CA C 13 63 0.1 . 1 . . . . . . . . 5930 1 64 . 1 1 17 17 ASP H H 1 8.17 0.01 . 1 . . . . . . . . 5930 1 65 . 1 1 17 17 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 5930 1 66 . 1 1 17 17 ASP C C 13 175.5 0.1 . 1 . . . . . . . . 5930 1 67 . 1 1 17 17 ASP CA C 13 55.9 0.1 . 1 . . . . . . . . 5930 1 68 . 1 1 17 17 ASP N N 15 115.7 0.1 . 1 . . . . . . . . 5930 1 69 . 1 1 18 18 VAL H H 1 7.37 0.01 . 1 . . . . . . . . 5930 1 70 . 1 1 18 18 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 5930 1 71 . 1 1 18 18 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5930 1 72 . 1 1 18 18 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 5930 1 73 . 1 1 18 18 VAL N N 15 114.8 0.1 . 1 . . . . . . . . 5930 1 74 . 1 1 19 19 VAL H H 1 9.42 0.01 . 1 . . . . . . . . 5930 1 75 . 1 1 19 19 VAL HA H 1 4.13 0.01 . 1 . . . . . . . . 5930 1 76 . 1 1 19 19 VAL C C 13 174.8 0.1 . 1 . . . . . . . . 5930 1 77 . 1 1 19 19 VAL CA C 13 61.9 0.1 . 1 . . . . . . . . 5930 1 78 . 1 1 19 19 VAL N N 15 128.2 0.1 . 1 . . . . . . . . 5930 1 79 . 1 1 20 20 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 5930 1 80 . 1 1 20 20 LYS HA H 1 4.88 0.01 . 1 . . . . . . . . 5930 1 81 . 1 1 20 20 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 82 . 1 1 20 20 LYS CA C 13 54.4 0.1 . 1 . . . . . . . . 5930 1 83 . 1 1 20 20 LYS N N 15 126.5 0.1 . 1 . . . . . . . . 5930 1 84 . 1 1 21 21 ASN H H 1 8.94 0.01 . 1 . . . . . . . . 5930 1 85 . 1 1 21 21 ASN HA H 1 4.27 0.01 . 1 . . . . . . . . 5930 1 86 . 1 1 21 21 ASN C C 13 174.6 0.1 . 1 . . . . . . . . 5930 1 87 . 1 1 21 21 ASN CA C 13 54.8 0.1 . 1 . . . . . . . . 5930 1 88 . 1 1 21 21 ASN N N 15 120.2 0.1 . 1 . . . . . . . . 5930 1 89 . 1 1 22 22 ALA H H 1 7.63 0.01 . 1 . . . . . . . . 5930 1 90 . 1 1 22 22 ALA HA H 1 4.38 0.01 . 1 . . . . . . . . 5930 1 91 . 1 1 22 22 ALA C C 13 177 0.1 . 1 . . . . . . . . 5930 1 92 . 1 1 22 22 ALA CA C 13 52.1 0.1 . 1 . . . . . . . . 5930 1 93 . 1 1 22 22 ALA N N 15 122.1 0.1 . 1 . . . . . . . . 5930 1 94 . 1 1 23 23 LYS H H 1 9.49 0.01 . 1 . . . . . . . . 5930 1 95 . 1 1 23 23 LYS HA H 1 5.08 0.01 . 1 . . . . . . . . 5930 1 96 . 1 1 23 23 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5930 1 97 . 1 1 23 23 LYS CA C 13 54.7 0.1 . 1 . . . . . . . . 5930 1 98 . 1 1 23 23 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 5930 1 99 . 1 1 24 24 ILE H H 1 9.07 0.01 . 1 . . . . . . . . 5930 1 100 . 1 1 24 24 ILE HA H 1 4.42 0.01 . 1 . . . . . . . . 5930 1 101 . 1 1 24 24 ILE C C 13 174.2 0.1 . 1 . . . . . . . . 5930 1 102 . 1 1 24 24 ILE CA C 13 61.4 0.1 . 1 . . . . . . . . 5930 1 103 . 1 1 24 24 ILE N N 15 123.2 0.1 . 1 . . . . . . . . 5930 1 104 . 1 1 25 25 ALA H H 1 9.11 0.01 . 1 . . . . . . . . 5930 1 105 . 1 1 25 25 ALA HA H 1 4.8 0.01 . 1 . . . . . . . . 5930 1 106 . 1 1 25 25 ALA C C 13 174.9 0.1 . 1 . . . . . . . . 5930 1 107 . 1 1 25 25 ALA CA C 13 49.9 0.1 . 1 . . . . . . . . 5930 1 108 . 1 1 25 25 ALA N N 15 129.9 0.1 . 1 . . . . . . . . 5930 1 109 . 1 1 26 26 LEU H H 1 9.34 0.01 . 1 . . . . . . . . 5930 1 110 . 1 1 26 26 LEU HA H 1 4.98 0.01 . 1 . . . . . . . . 5930 1 111 . 1 1 26 26 LEU C C 13 174.3 0.1 . 1 . . . . . . . . 5930 1 112 . 1 1 26 26 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5930 1 113 . 1 1 26 26 LEU N N 15 125 0.1 . 1 . . . . . . . . 5930 1 114 . 1 1 27 27 ILE H H 1 8.27 0.01 . 1 . . . . . . . . 5930 1 115 . 1 1 27 27 ILE HA H 1 4.98 0.01 . 1 . . . . . . . . 5930 1 116 . 1 1 27 27 ILE C C 13 175.3 0.1 . 1 . . . . . . . . 5930 1 117 . 1 1 27 27 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 5930 1 118 . 1 1 27 27 ILE N N 15 121.1 0.1 . 1 . . . . . . . . 5930 1 119 . 1 1 28 28 ASP H H 1 9.11 0.01 . 1 . . . . . . . . 5930 1 120 . 1 1 28 28 ASP HA H 1 4.82 0.01 . 1 . . . . . . . . 5930 1 121 . 1 1 28 28 ASP C C 13 174.7 0.1 . 1 . . . . . . . . 5930 1 122 . 1 1 28 28 ASP CA C 13 52.8 0.1 . 1 . . . . . . . . 5930 1 123 . 1 1 28 28 ASP N N 15 127.6 0.1 . 1 . . . . . . . . 5930 1 124 . 1 1 29 29 SER H H 1 6.94 0.01 . 1 . . . . . . . . 5930 1 125 . 1 1 29 29 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 5930 1 126 . 1 1 29 29 SER C C 13 172 0.1 . 1 . . . . . . . . 5930 1 127 . 1 1 29 29 SER CA C 13 56.6 0.1 . 1 . . . . . . . . 5930 1 128 . 1 1 29 29 SER N N 15 111.8 0.1 . 1 . . . . . . . . 5930 1 129 . 1 1 30 30 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5930 1 130 . 1 1 30 30 ALA HA H 1 4.41 0.01 . 1 . . . . . . . . 5930 1 131 . 1 1 30 30 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5930 1 132 . 1 1 30 30 ALA CA C 13 52.1 0.1 . 1 . . . . . . . . 5930 1 133 . 1 1 30 30 ALA N N 15 121.7 0.1 . 1 . . . . . . . . 5930 1 134 . 1 1 31 31 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 5930 1 135 . 1 1 31 31 LEU HA H 1 4.78 0.01 . 1 . . . . . . . . 5930 1 136 . 1 1 31 31 LEU C C 13 174.3 0.1 . 1 . . . . . . . . 5930 1 137 . 1 1 31 31 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5930 1 138 . 1 1 31 31 LEU N N 15 127.1 0.1 . 1 . . . . . . . . 5930 1 139 . 1 1 32 32 GLU H H 1 7.25 0.01 . 1 . . . . . . . . 5930 1 140 . 1 1 32 32 GLU HA H 1 4.74 0.01 . 1 . . . . . . . . 5930 1 141 . 1 1 32 32 GLU C C 13 174.6 0.1 . 1 . . . . . . . . 5930 1 142 . 1 1 32 32 GLU CA C 13 54.3 0.1 . 1 . . . . . . . . 5930 1 143 . 1 1 32 32 GLU N N 15 117.6 0.1 . 1 . . . . . . . . 5930 1 144 . 1 1 33 33 ILE H H 1 8.77 0.01 . 1 . . . . . . . . 5930 1 145 . 1 1 33 33 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 5930 1 146 . 1 1 33 33 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5930 1 147 . 1 1 33 33 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 5930 1 148 . 1 1 33 33 ILE N N 15 121 0.1 . 1 . . . . . . . . 5930 1 149 . 1 1 34 34 LYS H H 1 8.38 0.01 . 1 . . . . . . . . 5930 1 150 . 1 1 34 34 LYS HA H 1 4.36 0.01 . 1 . . . . . . . . 5930 1 151 . 1 1 34 34 LYS C C 13 176.5 0.1 . 1 . . . . . . . . 5930 1 152 . 1 1 34 34 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5930 1 153 . 1 1 34 34 LYS N N 15 126.3 0.1 . 1 . . . . . . . . 5930 1 154 . 1 1 35 35 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 5930 1 155 . 1 1 35 35 LYS HA H 1 4.36 0.01 . 1 . . . . . . . . 5930 1 156 . 1 1 35 35 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 157 . 1 1 35 35 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5930 1 158 . 1 1 35 35 LYS N N 15 124.4 0.1 . 1 . . . . . . . . 5930 1 159 . 1 1 36 36 THR H H 1 8.12 0.01 . 1 . . . . . . . . 5930 1 160 . 1 1 36 36 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 5930 1 161 . 1 1 36 36 THR C C 13 175 0.1 . 1 . . . . . . . . 5930 1 162 . 1 1 36 36 THR CA C 13 62.3 0.1 . 1 . . . . . . . . 5930 1 163 . 1 1 36 36 THR N N 15 113.9 0.1 . 1 . . . . . . . . 5930 1 164 . 1 1 37 37 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5930 1 165 . 1 1 37 37 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 5930 1 166 . 1 1 37 37 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 167 . 1 1 37 37 GLU CA C 13 57.2 0.1 . 1 . . . . . . . . 5930 1 168 . 1 1 37 37 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 5930 1 169 . 1 1 38 38 ILE H H 1 7.83 0.01 . 1 . . . . . . . . 5930 1 170 . 1 1 38 38 ILE HA H 1 4.05 0.01 . 1 . . . . . . . . 5930 1 171 . 1 1 38 38 ILE C C 13 176.6 0.1 . 1 . . . . . . . . 5930 1 172 . 1 1 38 38 ILE CA C 13 62 0.1 . 1 . . . . . . . . 5930 1 173 . 1 1 38 38 ILE N N 15 120.1 0.1 . 1 . . . . . . . . 5930 1 174 . 1 1 39 39 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 5930 1 175 . 1 1 39 39 GLU HA H 1 4.21 0.01 . 1 . . . . . . . . 5930 1 176 . 1 1 39 39 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5930 1 177 . 1 1 39 39 GLU CA C 13 57.3 0.1 . 1 . . . . . . . . 5930 1 178 . 1 1 39 39 GLU N N 15 122.9 0.1 . 1 . . . . . . . . 5930 1 179 . 1 1 40 40 ALA H H 1 7.98 0.01 . 1 . . . . . . . . 5930 1 180 . 1 1 40 40 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 5930 1 181 . 1 1 40 40 ALA C C 13 178 0.1 . 1 . . . . . . . . 5930 1 182 . 1 1 40 40 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5930 1 183 . 1 1 40 40 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 5930 1 184 . 1 1 41 41 LYS H H 1 7.96 0.01 . 1 . . . . . . . . 5930 1 185 . 1 1 41 41 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5930 1 186 . 1 1 41 41 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 187 . 1 1 41 41 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5930 1 188 . 1 1 41 41 LYS N N 15 118.7 0.1 . 1 . . . . . . . . 5930 1 189 . 1 1 42 42 VAL H H 1 7.8 0.01 . 1 . . . . . . . . 5930 1 190 . 1 1 42 42 VAL HA H 1 4.05 0.01 . 1 . . . . . . . . 5930 1 191 . 1 1 42 42 VAL C C 13 176 0.1 . 1 . . . . . . . . 5930 1 192 . 1 1 42 42 VAL CA C 13 62.6 0.1 . 1 . . . . . . . . 5930 1 193 . 1 1 42 42 VAL N N 15 119.4 0.1 . 1 . . . . . . . . 5930 1 194 . 1 1 43 43 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 5930 1 195 . 1 1 43 43 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 5930 1 196 . 1 1 43 43 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 5930 1 197 . 1 1 43 43 GLN CA C 13 56 0.1 . 1 . . . . . . . . 5930 1 198 . 1 1 43 43 GLN N N 15 122.7 0.1 . 1 . . . . . . . . 5930 1 199 . 1 1 44 44 ILE H H 1 7.91 0.01 . 1 . . . . . . . . 5930 1 200 . 1 1 44 44 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 5930 1 201 . 1 1 44 44 ILE C C 13 175.9 0.1 . 1 . . . . . . . . 5930 1 202 . 1 1 44 44 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 5930 1 203 . 1 1 44 44 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 5930 1 204 . 1 1 45 45 SER H H 1 8.19 0.01 . 1 . . . . . . . . 5930 1 205 . 1 1 45 45 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 5930 1 206 . 1 1 45 45 SER C C 13 173.7 0.1 . 1 . . . . . . . . 5930 1 207 . 1 1 45 45 SER CA C 13 58.6 0.1 . 1 . . . . . . . . 5930 1 208 . 1 1 45 45 SER N N 15 118.8 0.1 . 1 . . . . . . . . 5930 1 209 . 1 1 46 46 ASP H H 1 7.82 0.01 . 1 . . . . . . . . 5930 1 210 . 1 1 46 46 ASP HA H 1 4.98 0.01 . 1 . . . . . . . . 5930 1 211 . 1 1 46 46 ASP CA C 13 51.6 0.1 . 1 . . . . . . . . 5930 1 212 . 1 1 46 46 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5930 1 213 . 1 1 47 47 PRO HA H 1 4.35 0.01 . 1 . . . . . . . . 5930 1 214 . 1 1 47 47 PRO C C 13 178 0.1 . 1 . . . . . . . . 5930 1 215 . 1 1 47 47 PRO CA C 13 64.4 0.1 . 1 . . . . . . . . 5930 1 216 . 1 1 48 48 SER H H 1 8.42 0.01 . 1 . . . . . . . . 5930 1 217 . 1 1 48 48 SER HA H 1 4.36 0.01 . 1 . . . . . . . . 5930 1 218 . 1 1 48 48 SER C C 13 175.6 0.1 . 1 . . . . . . . . 5930 1 219 . 1 1 48 48 SER CA C 13 60.4 0.1 . 1 . . . . . . . . 5930 1 220 . 1 1 48 48 SER N N 15 114.6 0.1 . 1 . . . . . . . . 5930 1 221 . 1 1 49 49 LYS H H 1 7.75 0.01 . 1 . . . . . . . . 5930 1 222 . 1 1 49 49 LYS HA H 1 4.4 0.01 . 1 . . . . . . . . 5930 1 223 . 1 1 49 49 LYS C C 13 177.4 0.1 . 1 . . . . . . . . 5930 1 224 . 1 1 49 49 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5930 1 225 . 1 1 49 49 LYS N N 15 121.9 0.1 . 1 . . . . . . . . 5930 1 226 . 1 1 50 50 ILE H H 1 7.65 0.01 . 1 . . . . . . . . 5930 1 227 . 1 1 50 50 ILE HA H 1 4 0.01 . 1 . . . . . . . . 5930 1 228 . 1 1 50 50 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 229 . 1 1 50 50 ILE CA C 13 63 0.1 . 1 . . . . . . . . 5930 1 230 . 1 1 50 50 ILE N N 15 120.2 0.1 . 1 . . . . . . . . 5930 1 231 . 1 1 51 51 GLN H H 1 8.12 0.01 . 1 . . . . . . . . 5930 1 232 . 1 1 51 51 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 5930 1 233 . 1 1 51 51 GLN C C 13 176.8 0.1 . 1 . . . . . . . . 5930 1 234 . 1 1 51 51 GLN CA C 13 57.5 0.1 . 1 . . . . . . . . 5930 1 235 . 1 1 51 51 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 5930 1 236 . 1 1 52 52 ASP H H 1 7.97 0.01 . 1 . . . . . . . . 5930 1 237 . 1 1 52 52 ASP HA H 1 4.5 0.01 . 1 . . . . . . . . 5930 1 238 . 1 1 52 52 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5930 1 239 . 1 1 52 52 ASP CA C 13 56 0.1 . 1 . . . . . . . . 5930 1 240 . 1 1 52 52 ASP N N 15 120 0.1 . 1 . . . . . . . . 5930 1 241 . 1 1 53 53 PHE H H 1 7.92 0.01 . 1 . . . . . . . . 5930 1 242 . 1 1 53 53 PHE HA H 1 4.37 0.01 . 1 . . . . . . . . 5930 1 243 . 1 1 53 53 PHE C C 13 177.2 0.1 . 1 . . . . . . . . 5930 1 244 . 1 1 53 53 PHE CA C 13 59.7 0.1 . 1 . . . . . . . . 5930 1 245 . 1 1 53 53 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 5930 1 246 . 1 1 54 54 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 5930 1 247 . 1 1 54 54 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 5930 1 248 . 1 1 54 54 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 5930 1 249 . 1 1 54 54 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . 5930 1 250 . 1 1 54 54 LEU N N 15 120.9 0.1 . 1 . . . . . . . . 5930 1 251 . 1 1 55 55 ASN H H 1 8.26 0.01 . 1 . . . . . . . . 5930 1 252 . 1 1 55 55 ASN HA H 1 4.62 0.01 . 1 . . . . . . . . 5930 1 253 . 1 1 55 55 ASN C C 13 176.5 0.1 . 1 . . . . . . . . 5930 1 254 . 1 1 55 55 ASN CA C 13 54.5 0.1 . 1 . . . . . . . . 5930 1 255 . 1 1 55 55 ASN N N 15 118.7 0.1 . 1 . . . . . . . . 5930 1 256 . 1 1 56 56 GLN H H 1 8.06 0.01 . 1 . . . . . . . . 5930 1 257 . 1 1 56 56 GLN HA H 1 4.25 0.01 . 1 . . . . . . . . 5930 1 258 . 1 1 56 56 GLN C C 13 177.8 0.1 . 1 . . . . . . . . 5930 1 259 . 1 1 56 56 GLN CA C 13 57.8 0.1 . 1 . . . . . . . . 5930 1 260 . 1 1 56 56 GLN N N 15 120.1 0.1 . 1 . . . . . . . . 5930 1 261 . 1 1 57 57 GLU H H 1 8.41 0.01 . 1 . . . . . . . . 5930 1 262 . 1 1 57 57 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 5930 1 263 . 1 1 57 57 GLU C C 13 177.6 0.1 . 1 . . . . . . . . 5930 1 264 . 1 1 57 57 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5930 1 265 . 1 1 57 57 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 5930 1 266 . 1 1 58 58 THR H H 1 8.18 0.01 . 1 . . . . . . . . 5930 1 267 . 1 1 58 58 THR HA H 1 4.21 0.01 . 1 . . . . . . . . 5930 1 268 . 1 1 58 58 THR C C 13 175.6 0.1 . 1 . . . . . . . . 5930 1 269 . 1 1 58 58 THR CA C 13 65.3 0.1 . 1 . . . . . . . . 5930 1 270 . 1 1 58 58 THR N N 15 114 0.1 . 1 . . . . . . . . 5930 1 271 . 1 1 59 59 ASN H H 1 8.14 0.01 . 1 . . . . . . . . 5930 1 272 . 1 1 59 59 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 5930 1 273 . 1 1 59 59 ASN C C 13 177 0.1 . 1 . . . . . . . . 5930 1 274 . 1 1 59 59 ASN CA C 13 55.6 0.1 . 1 . . . . . . . . 5930 1 275 . 1 1 59 59 ASN N N 15 119.8 0.1 . 1 . . . . . . . . 5930 1 276 . 1 1 60 60 THR H H 1 8.17 0.01 . 1 . . . . . . . . 5930 1 277 . 1 1 60 60 THR HA H 1 3.91 0.01 . 1 . . . . . . . . 5930 1 278 . 1 1 60 60 THR C C 13 176.6 0.1 . 1 . . . . . . . . 5930 1 279 . 1 1 60 60 THR CA C 13 66.3 0.1 . 1 . . . . . . . . 5930 1 280 . 1 1 60 60 THR N N 15 117.4 0.1 . 1 . . . . . . . . 5930 1 281 . 1 1 61 61 PHE H H 1 7.96 0.01 . 1 . . . . . . . . 5930 1 282 . 1 1 61 61 PHE HA H 1 4.45 0.01 . 1 . . . . . . . . 5930 1 283 . 1 1 61 61 PHE C C 13 177.7 0.1 . 1 . . . . . . . . 5930 1 284 . 1 1 61 61 PHE CA C 13 61.7 0.1 . 1 . . . . . . . . 5930 1 285 . 1 1 61 61 PHE N N 15 120.7 0.1 . 1 . . . . . . . . 5930 1 286 . 1 1 62 62 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 5930 1 287 . 1 1 62 62 LYS HA H 1 3.41 0.01 . 1 . . . . . . . . 5930 1 288 . 1 1 62 62 LYS C C 13 179.2 0.1 . 1 . . . . . . . . 5930 1 289 . 1 1 62 62 LYS CA C 13 60.2 0.1 . 1 . . . . . . . . 5930 1 290 . 1 1 62 62 LYS N N 15 120.4 0.1 . 1 . . . . . . . . 5930 1 291 . 1 1 63 63 GLN H H 1 7.87 0.01 . 1 . . . . . . . . 5930 1 292 . 1 1 63 63 GLN HA H 1 4.03 0.01 . 1 . . . . . . . . 5930 1 293 . 1 1 63 63 GLN C C 13 178.5 0.1 . 1 . . . . . . . . 5930 1 294 . 1 1 63 63 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 5930 1 295 . 1 1 63 63 GLN N N 15 117.8 0.1 . 1 . . . . . . . . 5930 1 296 . 1 1 64 64 MET H H 1 7.85 0.01 . 1 . . . . . . . . 5930 1 297 . 1 1 64 64 MET HA H 1 3.94 0.01 . 1 . . . . . . . . 5930 1 298 . 1 1 64 64 MET C C 13 177.6 0.1 . 1 . . . . . . . . 5930 1 299 . 1 1 64 64 MET CA C 13 59.7 0.1 . 1 . . . . . . . . 5930 1 300 . 1 1 64 64 MET N N 15 119.7 0.1 . 1 . . . . . . . . 5930 1 301 . 1 1 65 65 VAL H H 1 7.78 0.01 . 1 . . . . . . . . 5930 1 302 . 1 1 65 65 VAL HA H 1 3.47 0.01 . 1 . . . . . . . . 5930 1 303 . 1 1 65 65 VAL C C 13 177.4 0.1 . 1 . . . . . . . . 5930 1 304 . 1 1 65 65 VAL CA C 13 67 0.1 . 1 . . . . . . . . 5930 1 305 . 1 1 65 65 VAL N N 15 117.2 0.1 . 1 . . . . . . . . 5930 1 306 . 1 1 66 66 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 5930 1 307 . 1 1 66 66 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5930 1 308 . 1 1 66 66 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5930 1 309 . 1 1 66 66 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5930 1 310 . 1 1 66 66 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 5930 1 311 . 1 1 67 67 LYS H H 1 7.74 0.01 . 1 . . . . . . . . 5930 1 312 . 1 1 67 67 LYS HA H 1 3.97 0.01 . 1 . . . . . . . . 5930 1 313 . 1 1 67 67 LYS C C 13 179.5 0.1 . 1 . . . . . . . . 5930 1 314 . 1 1 67 67 LYS CA C 13 59.9 0.1 . 1 . . . . . . . . 5930 1 315 . 1 1 67 67 LYS N N 15 118.9 0.1 . 1 . . . . . . . . 5930 1 316 . 1 1 68 68 ILE H H 1 7.49 0.01 . 1 . . . . . . . . 5930 1 317 . 1 1 68 68 ILE HA H 1 3.56 0.01 . 1 . . . . . . . . 5930 1 318 . 1 1 68 68 ILE C C 13 178.8 0.1 . 1 . . . . . . . . 5930 1 319 . 1 1 68 68 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 5930 1 320 . 1 1 68 68 ILE N N 15 119 0.1 . 1 . . . . . . . . 5930 1 321 . 1 1 69 69 LYS H H 1 8.89 0.01 . 1 . . . . . . . . 5930 1 322 . 1 1 69 69 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 5930 1 323 . 1 1 69 69 LYS C C 13 180.4 0.1 . 1 . . . . . . . . 5930 1 324 . 1 1 69 69 LYS CA C 13 59.3 0.1 . 1 . . . . . . . . 5930 1 325 . 1 1 69 69 LYS N N 15 122.2 0.1 . 1 . . . . . . . . 5930 1 326 . 1 1 70 70 LYS H H 1 8.6 0.01 . 1 . . . . . . . . 5930 1 327 . 1 1 70 70 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 5930 1 328 . 1 1 70 70 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 5930 1 329 . 1 1 70 70 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 5930 1 330 . 1 1 70 70 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 5930 1 331 . 1 1 71 71 SER H H 1 7.45 0.01 . 1 . . . . . . . . 5930 1 332 . 1 1 71 71 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 5930 1 333 . 1 1 71 71 SER C C 13 173.3 0.1 . 1 . . . . . . . . 5930 1 334 . 1 1 71 71 SER CA C 13 61.1 0.1 . 1 . . . . . . . . 5930 1 335 . 1 1 71 71 SER N N 15 113.9 0.1 . 1 . . . . . . . . 5930 1 336 . 1 1 72 72 GLY H H 1 7.56 0.01 . 1 . . . . . . . . 5930 1 337 . 1 1 72 72 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 5930 1 338 . 1 1 72 72 GLY HA3 H 1 3.64 0.01 . 2 . . . . . . . . 5930 1 339 . 1 1 72 72 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5930 1 340 . 1 1 72 72 GLY CA C 13 44.2 0.1 . 1 . . . . . . . . 5930 1 341 . 1 1 72 72 GLY N N 15 106.7 0.1 . 1 . . . . . . . . 5930 1 342 . 1 1 73 73 ALA H H 1 7.39 0.01 . 1 . . . . . . . . 5930 1 343 . 1 1 73 73 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 5930 1 344 . 1 1 73 73 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5930 1 345 . 1 1 73 73 ALA CA C 13 52.9 0.1 . 1 . . . . . . . . 5930 1 346 . 1 1 73 73 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5930 1 347 . 1 1 74 74 ASN H H 1 8.88 0.01 . 1 . . . . . . . . 5930 1 348 . 1 1 74 74 ASN HA H 1 4.75 0.01 . 1 . . . . . . . . 5930 1 349 . 1 1 74 74 ASN C C 13 174.5 0.1 . 1 . . . . . . . . 5930 1 350 . 1 1 74 74 ASN CA C 13 52.2 0.1 . 1 . . . . . . . . 5930 1 351 . 1 1 74 74 ASN N N 15 116 0.1 . 1 . . . . . . . . 5930 1 352 . 1 1 75 75 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 5930 1 353 . 1 1 75 75 VAL HA H 1 5.37 0.01 . 1 . . . . . . . . 5930 1 354 . 1 1 75 75 VAL C C 13 174.6 0.1 . 1 . . . . . . . . 5930 1 355 . 1 1 75 75 VAL CA C 13 60.9 0.1 . 1 . . . . . . . . 5930 1 356 . 1 1 75 75 VAL N N 15 120.5 0.1 . 1 . . . . . . . . 5930 1 357 . 1 1 76 76 VAL H H 1 9.41 0.01 . 1 . . . . . . . . 5930 1 358 . 1 1 76 76 VAL HA H 1 4.91 0.01 . 1 . . . . . . . . 5930 1 359 . 1 1 76 76 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 5930 1 360 . 1 1 76 76 VAL CA C 13 60.3 0.1 . 1 . . . . . . . . 5930 1 361 . 1 1 76 76 VAL N N 15 126.7 0.1 . 1 . . . . . . . . 5930 1 362 . 1 1 77 77 LEU H H 1 8.92 0.01 . 1 . . . . . . . . 5930 1 363 . 1 1 77 77 LEU HA H 1 4.86 0.01 . 1 . . . . . . . . 5930 1 364 . 1 1 77 77 LEU C C 13 173.2 0.1 . 1 . . . . . . . . 5930 1 365 . 1 1 77 77 LEU CA C 13 53.9 0.1 . 1 . . . . . . . . 5930 1 366 . 1 1 77 77 LEU N N 15 127.7 0.1 . 1 . . . . . . . . 5930 1 367 . 1 1 78 78 CYS H H 1 8.49 0.01 . 1 . . . . . . . . 5930 1 368 . 1 1 78 78 CYS HA H 1 5.63 0.01 . 1 . . . . . . . . 5930 1 369 . 1 1 78 78 CYS C C 13 174.1 0.1 . 1 . . . . . . . . 5930 1 370 . 1 1 78 78 CYS CA C 13 55.9 0.1 . 1 . . . . . . . . 5930 1 371 . 1 1 78 78 CYS N N 15 123.6 0.1 . 1 . . . . . . . . 5930 1 372 . 1 1 79 79 GLN H H 1 8.49 0.01 . 1 . . . . . . . . 5930 1 373 . 1 1 79 79 GLN HA H 1 4.89 0.01 . 1 . . . . . . . . 5930 1 374 . 1 1 79 79 GLN C C 13 175.8 0.1 . 1 . . . . . . . . 5930 1 375 . 1 1 79 79 GLN CA C 13 56.9 0.1 . 1 . . . . . . . . 5930 1 376 . 1 1 79 79 GLN N N 15 127.9 0.1 . 1 . . . . . . . . 5930 1 377 . 1 1 80 80 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5930 1 378 . 1 1 80 80 LYS HA H 1 4.66 0.01 . 1 . . . . . . . . 5930 1 379 . 1 1 80 80 LYS C C 13 174.7 0.1 . 1 . . . . . . . . 5930 1 380 . 1 1 80 80 LYS CA C 13 53.5 0.1 . 1 . . . . . . . . 5930 1 381 . 1 1 80 80 LYS N N 15 118 0.1 . 1 . . . . . . . . 5930 1 382 . 1 1 81 81 GLY H H 1 8.07 0.01 . 1 . . . . . . . . 5930 1 383 . 1 1 81 81 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 5930 1 384 . 1 1 81 81 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 5930 1 385 . 1 1 81 81 GLY C C 13 171.9 0.1 . 1 . . . . . . . . 5930 1 386 . 1 1 81 81 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5930 1 387 . 1 1 81 81 GLY N N 15 106.4 0.1 . 1 . . . . . . . . 5930 1 388 . 1 1 82 82 ILE H H 1 7.35 0.01 . 1 . . . . . . . . 5930 1 389 . 1 1 82 82 ILE HA H 1 4.4 0.01 . 1 . . . . . . . . 5930 1 390 . 1 1 82 82 ILE C C 13 175.2 0.1 . 1 . . . . . . . . 5930 1 391 . 1 1 82 82 ILE CA C 13 60.8 0.1 . 1 . . . . . . . . 5930 1 392 . 1 1 82 82 ILE N N 15 114.7 0.1 . 1 . . . . . . . . 5930 1 393 . 1 1 83 83 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 5930 1 394 . 1 1 83 83 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 5930 1 395 . 1 1 83 83 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5930 1 396 . 1 1 83 83 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 5930 1 397 . 1 1 83 83 ASP N N 15 128.7 0.1 . 1 . . . . . . . . 5930 1 398 . 1 1 84 84 ASP H H 1 8.72 0.01 . 1 . . . . . . . . 5930 1 399 . 1 1 84 84 ASP HA H 1 4.06 0.01 . 1 . . . . . . . . 5930 1 400 . 1 1 84 84 ASP C C 13 178.3 0.1 . 1 . . . . . . . . 5930 1 401 . 1 1 84 84 ASP CA C 13 58.6 0.1 . 1 . . . . . . . . 5930 1 402 . 1 1 84 84 ASP N N 15 124.3 0.1 . 1 . . . . . . . . 5930 1 403 . 1 1 85 85 VAL H H 1 9.04 0.01 . 1 . . . . . . . . 5930 1 404 . 1 1 85 85 VAL HA H 1 3.53 0.01 . 1 . . . . . . . . 5930 1 405 . 1 1 85 85 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 5930 1 406 . 1 1 85 85 VAL CA C 13 66.5 0.1 . 1 . . . . . . . . 5930 1 407 . 1 1 85 85 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 5930 1 408 . 1 1 86 86 ALA H H 1 6.56 0.01 . 1 . . . . . . . . 5930 1 409 . 1 1 86 86 ALA HA H 1 3.91 0.01 . 1 . . . . . . . . 5930 1 410 . 1 1 86 86 ALA C C 13 179.3 0.1 . 1 . . . . . . . . 5930 1 411 . 1 1 86 86 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5930 1 412 . 1 1 86 86 ALA N N 15 120.3 0.1 . 1 . . . . . . . . 5930 1 413 . 1 1 87 87 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 5930 1 414 . 1 1 87 87 GLN HA H 1 3.49 0.01 . 1 . . . . . . . . 5930 1 415 . 1 1 87 87 GLN C C 13 177 0.1 . 1 . . . . . . . . 5930 1 416 . 1 1 87 87 GLN CA C 13 59.9 0.1 . 1 . . . . . . . . 5930 1 417 . 1 1 87 87 GLN N N 15 115.8 0.1 . 1 . . . . . . . . 5930 1 418 . 1 1 88 88 HIS H H 1 7.49 0.01 . 1 . . . . . . . . 5930 1 419 . 1 1 88 88 HIS HA H 1 3.74 0.01 . 1 . . . . . . . . 5930 1 420 . 1 1 88 88 HIS C C 13 177.5 0.1 . 1 . . . . . . . . 5930 1 421 . 1 1 88 88 HIS CA C 13 59.5 0.1 . 1 . . . . . . . . 5930 1 422 . 1 1 88 88 HIS N N 15 116.6 0.1 . 1 . . . . . . . . 5930 1 423 . 1 1 89 89 TYR H H 1 7.62 0.01 . 1 . . . . . . . . 5930 1 424 . 1 1 89 89 TYR HA H 1 4.07 0.01 . 1 . . . . . . . . 5930 1 425 . 1 1 89 89 TYR C C 13 178 0.1 . 1 . . . . . . . . 5930 1 426 . 1 1 89 89 TYR CA C 13 62.3 0.1 . 1 . . . . . . . . 5930 1 427 . 1 1 89 89 TYR N N 15 117.7 0.1 . 1 . . . . . . . . 5930 1 428 . 1 1 90 90 LEU H H 1 8.61 0.01 . 1 . . . . . . . . 5930 1 429 . 1 1 90 90 LEU HA H 1 3.91 0.01 . 1 . . . . . . . . 5930 1 430 . 1 1 90 90 LEU CA C 13 57.7 0.1 . 1 . . . . . . . . 5930 1 431 . 1 1 90 90 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 5930 1 432 . 1 1 91 91 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5930 1 433 . 1 1 91 91 ALA HA H 1 3.77 0.01 . 1 . . . . . . . . 5930 1 434 . 1 1 91 91 ALA C C 13 172.2 0.1 . 1 . . . . . . . . 5930 1 435 . 1 1 91 91 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5930 1 436 . 1 1 91 91 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5930 1 437 . 1 1 92 92 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 5930 1 438 . 1 1 92 92 LYS HA H 1 3.9 0.01 . 1 . . . . . . . . 5930 1 439 . 1 1 92 92 LYS C C 13 178.1 0.1 . 1 . . . . . . . . 5930 1 440 . 1 1 92 92 LYS CA C 13 59 0.1 . 1 . . . . . . . . 5930 1 441 . 1 1 92 92 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5930 1 442 . 1 1 93 93 GLU H H 1 7.27 0.01 . 1 . . . . . . . . 5930 1 443 . 1 1 93 93 GLU HA H 1 4.53 0.01 . 1 . . . . . . . . 5930 1 444 . 1 1 93 93 GLU C C 13 176.4 0.1 . 1 . . . . . . . . 5930 1 445 . 1 1 93 93 GLU CA C 13 55 0.1 . 1 . . . . . . . . 5930 1 446 . 1 1 93 93 GLU N N 15 114.8 0.1 . 1 . . . . . . . . 5930 1 447 . 1 1 94 94 GLY H H 1 7.83 0.01 . 1 . . . . . . . . 5930 1 448 . 1 1 94 94 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 5930 1 449 . 1 1 94 94 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 5930 1 450 . 1 1 94 94 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5930 1 451 . 1 1 94 94 GLY CA C 13 46 0.1 . 1 . . . . . . . . 5930 1 452 . 1 1 94 94 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 5930 1 453 . 1 1 95 95 ILE H H 1 7.79 0.01 . 1 . . . . . . . . 5930 1 454 . 1 1 95 95 ILE HA H 1 4.02 0.01 . 1 . . . . . . . . 5930 1 455 . 1 1 95 95 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5930 1 456 . 1 1 95 95 ILE CA C 13 60.6 0.1 . 1 . . . . . . . . 5930 1 457 . 1 1 95 95 ILE N N 15 121 0.1 . 1 . . . . . . . . 5930 1 458 . 1 1 96 96 TYR H H 1 7.67 0.01 . 1 . . . . . . . . 5930 1 459 . 1 1 96 96 TYR HA H 1 4.14 0.01 . 1 . . . . . . . . 5930 1 460 . 1 1 96 96 TYR C C 13 174.2 0.1 . 1 . . . . . . . . 5930 1 461 . 1 1 96 96 TYR CA C 13 58.3 0.1 . 1 . . . . . . . . 5930 1 462 . 1 1 96 96 TYR N N 15 128.2 0.1 . 1 . . . . . . . . 5930 1 463 . 1 1 97 97 ALA H H 1 7.98 0.01 . 1 . . . . . . . . 5930 1 464 . 1 1 97 97 ALA HA H 1 6.26 0.01 . 1 . . . . . . . . 5930 1 465 . 1 1 97 97 ALA C C 13 173.9 0.1 . 1 . . . . . . . . 5930 1 466 . 1 1 97 97 ALA CA C 13 49.5 0.1 . 1 . . . . . . . . 5930 1 467 . 1 1 97 97 ALA N N 15 131.2 0.1 . 1 . . . . . . . . 5930 1 468 . 1 1 98 98 VAL H H 1 8.01 0.01 . 1 . . . . . . . . 5930 1 469 . 1 1 98 98 VAL HA H 1 4.21 0.01 . 1 . . . . . . . . 5930 1 470 . 1 1 98 98 VAL C C 13 173.8 0.1 . 1 . . . . . . . . 5930 1 471 . 1 1 98 98 VAL CA C 13 60.8 0.1 . 1 . . . . . . . . 5930 1 472 . 1 1 98 98 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 5930 1 473 . 1 1 99 99 ARG H H 1 8.7 0.01 . 1 . . . . . . . . 5930 1 474 . 1 1 99 99 ARG HA H 1 5.2 0.01 . 1 . . . . . . . . 5930 1 475 . 1 1 99 99 ARG C C 13 172.8 0.1 . 1 . . . . . . . . 5930 1 476 . 1 1 99 99 ARG CA C 13 53.1 0.1 . 1 . . . . . . . . 5930 1 477 . 1 1 99 99 ARG N N 15 122.6 0.1 . 1 . . . . . . . . 5930 1 478 . 1 1 100 100 ARG H H 1 8 0.01 . 1 . . . . . . . . 5930 1 479 . 1 1 100 100 ARG HA H 1 3.52 0.01 . 1 . . . . . . . . 5930 1 480 . 1 1 100 100 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 5930 1 481 . 1 1 100 100 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5930 1 482 . 1 1 100 100 ARG N N 15 114.5 0.1 . 1 . . . . . . . . 5930 1 483 . 1 1 101 101 VAL H H 1 8.42 0.01 . 1 . . . . . . . . 5930 1 484 . 1 1 101 101 VAL HA H 1 3.66 0.01 . 1 . . . . . . . . 5930 1 485 . 1 1 101 101 VAL C C 13 176.5 0.1 . 1 . . . . . . . . 5930 1 486 . 1 1 101 101 VAL CA C 13 63.5 0.1 . 1 . . . . . . . . 5930 1 487 . 1 1 101 101 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 5930 1 488 . 1 1 102 102 LYS H H 1 9.02 0.01 . 1 . . . . . . . . 5930 1 489 . 1 1 102 102 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 5930 1 490 . 1 1 102 102 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 5930 1 491 . 1 1 102 102 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5930 1 492 . 1 1 102 102 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 5930 1 493 . 1 1 103 103 LYS H H 1 8.86 0.01 . 1 . . . . . . . . 5930 1 494 . 1 1 103 103 LYS HA H 1 3.74 0.01 . 1 . . . . . . . . 5930 1 495 . 1 1 103 103 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 5930 1 496 . 1 1 103 103 LYS CA C 13 60.5 0.1 . 1 . . . . . . . . 5930 1 497 . 1 1 103 103 LYS N N 15 125.5 0.1 . 1 . . . . . . . . 5930 1 498 . 1 1 104 104 SER H H 1 8.53 0.01 . 1 . . . . . . . . 5930 1 499 . 1 1 104 104 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5930 1 500 . 1 1 104 104 SER C C 13 177.8 0.1 . 1 . . . . . . . . 5930 1 501 . 1 1 104 104 SER CA C 13 61.1 0.1 . 1 . . . . . . . . 5930 1 502 . 1 1 104 104 SER N N 15 111.5 0.1 . 1 . . . . . . . . 5930 1 503 . 1 1 105 105 ASP H H 1 6.89 0.01 . 1 . . . . . . . . 5930 1 504 . 1 1 105 105 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 5930 1 505 . 1 1 105 105 ASP C C 13 178 0.1 . 1 . . . . . . . . 5930 1 506 . 1 1 105 105 ASP CA C 13 57.3 0.1 . 1 . . . . . . . . 5930 1 507 . 1 1 105 105 ASP N N 15 123.2 0.1 . 1 . . . . . . . . 5930 1 508 . 1 1 106 106 MET H H 1 8.07 0.01 . 1 . . . . . . . . 5930 1 509 . 1 1 106 106 MET HA H 1 4 0.01 . 1 . . . . . . . . 5930 1 510 . 1 1 106 106 MET C C 13 178.3 0.1 . 1 . . . . . . . . 5930 1 511 . 1 1 106 106 MET CA C 13 58.1 0.1 . 1 . . . . . . . . 5930 1 512 . 1 1 106 106 MET N N 15 120.3 0.1 . 1 . . . . . . . . 5930 1 513 . 1 1 107 107 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 5930 1 514 . 1 1 107 107 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 5930 1 515 . 1 1 107 107 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 5930 1 516 . 1 1 107 107 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5930 1 517 . 1 1 107 107 GLU N N 15 117.7 0.1 . 1 . . . . . . . . 5930 1 518 . 1 1 108 108 LYS H H 1 7.69 0.01 . 1 . . . . . . . . 5930 1 519 . 1 1 108 108 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5930 1 520 . 1 1 108 108 LYS C C 13 179.9 0.1 . 1 . . . . . . . . 5930 1 521 . 1 1 108 108 LYS CA C 13 59.6 0.1 . 1 . . . . . . . . 5930 1 522 . 1 1 108 108 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5930 1 523 . 1 1 109 109 LEU H H 1 8.48 0.01 . 1 . . . . . . . . 5930 1 524 . 1 1 109 109 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 5930 1 525 . 1 1 109 109 LEU C C 13 180 0.1 . 1 . . . . . . . . 5930 1 526 . 1 1 109 109 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 5930 1 527 . 1 1 109 109 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5930 1 528 . 1 1 110 110 ALA H H 1 8.69 0.01 . 1 . . . . . . . . 5930 1 529 . 1 1 110 110 ALA HA H 1 3.9 0.01 . 1 . . . . . . . . 5930 1 530 . 1 1 110 110 ALA C C 13 179.5 0.1 . 1 . . . . . . . . 5930 1 531 . 1 1 110 110 ALA CA C 13 56.1 0.1 . 1 . . . . . . . . 5930 1 532 . 1 1 110 110 ALA N N 15 127.6 0.1 . 1 . . . . . . . . 5930 1 533 . 1 1 111 111 LYS H H 1 7.58 0.01 . 1 . . . . . . . . 5930 1 534 . 1 1 111 111 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 5930 1 535 . 1 1 111 111 LYS C C 13 179 0.1 . 1 . . . . . . . . 5930 1 536 . 1 1 111 111 LYS CA C 13 59 0.1 . 1 . . . . . . . . 5930 1 537 . 1 1 111 111 LYS N N 15 117 0.1 . 1 . . . . . . . . 5930 1 538 . 1 1 112 112 ALA H H 1 7.91 0.01 . 1 . . . . . . . . 5930 1 539 . 1 1 112 112 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 5930 1 540 . 1 1 112 112 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5930 1 541 . 1 1 112 112 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 5930 1 542 . 1 1 112 112 ALA N N 15 118.6 0.1 . 1 . . . . . . . . 5930 1 543 . 1 1 113 113 THR H H 1 7.94 0.01 . 1 . . . . . . . . 5930 1 544 . 1 1 113 113 THR HA H 1 4.72 0.01 . 1 . . . . . . . . 5930 1 545 . 1 1 113 113 THR C C 13 175.8 0.1 . 1 . . . . . . . . 5930 1 546 . 1 1 113 113 THR CA C 13 61.7 0.1 . 1 . . . . . . . . 5930 1 547 . 1 1 113 113 THR N N 15 102.7 0.1 . 1 . . . . . . . . 5930 1 548 . 1 1 114 114 GLY H H 1 7.79 0.01 . 1 . . . . . . . . 5930 1 549 . 1 1 114 114 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 5930 1 550 . 1 1 114 114 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 5930 1 551 . 1 1 114 114 GLY C C 13 173.4 0.1 . 1 . . . . . . . . 5930 1 552 . 1 1 114 114 GLY CA C 13 46 0.1 . 1 . . . . . . . . 5930 1 553 . 1 1 114 114 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5930 1 554 . 1 1 115 115 ALA H H 1 7.46 0.01 . 1 . . . . . . . . 5930 1 555 . 1 1 115 115 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 5930 1 556 . 1 1 115 115 ALA C C 13 176 0.1 . 1 . . . . . . . . 5930 1 557 . 1 1 115 115 ALA CA C 13 51.3 0.1 . 1 . . . . . . . . 5930 1 558 . 1 1 115 115 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 5930 1 559 . 1 1 116 116 LYS H H 1 8.03 0.01 . 1 . . . . . . . . 5930 1 560 . 1 1 116 116 LYS HA H 1 4.58 0.01 . 1 . . . . . . . . 5930 1 561 . 1 1 116 116 LYS C C 13 175.3 0.1 . 1 . . . . . . . . 5930 1 562 . 1 1 116 116 LYS CA C 13 54.4 0.1 . 1 . . . . . . . . 5930 1 563 . 1 1 116 116 LYS N N 15 118.8 0.1 . 1 . . . . . . . . 5930 1 564 . 1 1 117 117 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 5930 1 565 . 1 1 117 117 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 5930 1 566 . 1 1 117 117 ILE C C 13 176.8 0.1 . 1 . . . . . . . . 5930 1 567 . 1 1 117 117 ILE CA C 13 62.4 0.1 . 1 . . . . . . . . 5930 1 568 . 1 1 117 117 ILE N N 15 124.1 0.1 . 1 . . . . . . . . 5930 1 569 . 1 1 118 118 VAL H H 1 8.54 0.01 . 1 . . . . . . . . 5930 1 570 . 1 1 118 118 VAL HA H 1 4.7 0.01 . 1 . . . . . . . . 5930 1 571 . 1 1 118 118 VAL C C 13 175 0.1 . 1 . . . . . . . . 5930 1 572 . 1 1 118 118 VAL CA C 13 60.3 0.1 . 1 . . . . . . . . 5930 1 573 . 1 1 118 118 VAL N N 15 124.6 0.1 . 1 . . . . . . . . 5930 1 574 . 1 1 119 119 THR H H 1 8.63 0.01 . 1 . . . . . . . . 5930 1 575 . 1 1 119 119 THR HA H 1 4.55 0.01 . 1 . . . . . . . . 5930 1 576 . 1 1 119 119 THR C C 13 173.9 0.1 . 1 . . . . . . . . 5930 1 577 . 1 1 119 119 THR CA C 13 62 0.1 . 1 . . . . . . . . 5930 1 578 . 1 1 119 119 THR N N 15 115.8 0.1 . 1 . . . . . . . . 5930 1 579 . 1 1 120 120 ASP H H 1 7.71 0.01 . 1 . . . . . . . . 5930 1 580 . 1 1 120 120 ASP HA H 1 4.76 0.01 . 1 . . . . . . . . 5930 1 581 . 1 1 120 120 ASP C C 13 177 0.1 . 1 . . . . . . . . 5930 1 582 . 1 1 120 120 ASP CA C 13 52.9 0.1 . 1 . . . . . . . . 5930 1 583 . 1 1 120 120 ASP N N 15 122 0.1 . 1 . . . . . . . . 5930 1 584 . 1 1 121 121 LEU H H 1 8.83 0.01 . 1 . . . . . . . . 5930 1 585 . 1 1 121 121 LEU HA H 1 3.88 0.01 . 1 . . . . . . . . 5930 1 586 . 1 1 121 121 LEU C C 13 178.6 0.1 . 1 . . . . . . . . 5930 1 587 . 1 1 121 121 LEU CA C 13 57.5 0.1 . 1 . . . . . . . . 5930 1 588 . 1 1 121 121 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 5930 1 589 . 1 1 122 122 ASP H H 1 8.85 0.01 . 1 . . . . . . . . 5930 1 590 . 1 1 122 122 ASP HA H 1 4.49 0.01 . 1 . . . . . . . . 5930 1 591 . 1 1 122 122 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5930 1 592 . 1 1 122 122 ASP CA C 13 56.7 0.1 . 1 . . . . . . . . 5930 1 593 . 1 1 122 122 ASP N N 15 118.9 0.1 . 1 . . . . . . . . 5930 1 594 . 1 1 123 123 ASP H H 1 7.88 0.01 . 1 . . . . . . . . 5930 1 595 . 1 1 123 123 ASP HA H 1 4.76 0.01 . 1 . . . . . . . . 5930 1 596 . 1 1 123 123 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5930 1 597 . 1 1 123 123 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5930 1 598 . 1 1 123 123 ASP N N 15 117.6 0.1 . 1 . . . . . . . . 5930 1 599 . 1 1 124 124 LEU H H 1 7.43 0.01 . 1 . . . . . . . . 5930 1 600 . 1 1 124 124 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 5930 1 601 . 1 1 124 124 LEU C C 13 174.3 0.1 . 1 . . . . . . . . 5930 1 602 . 1 1 124 124 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5930 1 603 . 1 1 124 124 LEU N N 15 120.9 0.1 . 1 . . . . . . . . 5930 1 604 . 1 1 125 125 THR H H 1 7.21 0.01 . 1 . . . . . . . . 5930 1 605 . 1 1 125 125 THR HA H 1 4.88 0.01 . 1 . . . . . . . . 5930 1 606 . 1 1 125 125 THR CA C 13 58.9 0.1 . 1 . . . . . . . . 5930 1 607 . 1 1 125 125 THR N N 15 118.2 0.1 . 1 . . . . . . . . 5930 1 608 . 1 1 126 126 PRO HA H 1 4.47 0.01 . 1 . . . . . . . . 5930 1 609 . 1 1 126 126 PRO C C 13 178.8 0.1 . 1 . . . . . . . . 5930 1 610 . 1 1 126 126 PRO CA C 13 65.7 0.1 . 1 . . . . . . . . 5930 1 611 . 1 1 127 127 SER H H 1 7.73 0.01 . 1 . . . . . . . . 5930 1 612 . 1 1 127 127 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 5930 1 613 . 1 1 127 127 SER C C 13 175.6 0.1 . 1 . . . . . . . . 5930 1 614 . 1 1 127 127 SER CA C 13 60.4 0.1 . 1 . . . . . . . . 5930 1 615 . 1 1 127 127 SER N N 15 108.3 0.1 . 1 . . . . . . . . 5930 1 616 . 1 1 128 128 VAL H H 1 7.46 0.01 . 1 . . . . . . . . 5930 1 617 . 1 1 128 128 VAL HA H 1 4.74 0.01 . 1 . . . . . . . . 5930 1 618 . 1 1 128 128 VAL C C 13 176 0.1 . 1 . . . . . . . . 5930 1 619 . 1 1 128 128 VAL CA C 13 61 0.1 . 1 . . . . . . . . 5930 1 620 . 1 1 128 128 VAL N N 15 111.5 0.1 . 1 . . . . . . . . 5930 1 621 . 1 1 129 129 LEU H H 1 7.09 0.01 . 1 . . . . . . . . 5930 1 622 . 1 1 129 129 LEU HA H 1 4.69 0.01 . 1 . . . . . . . . 5930 1 623 . 1 1 129 129 LEU C C 13 178 0.1 . 1 . . . . . . . . 5930 1 624 . 1 1 129 129 LEU CA C 13 54.3 0.1 . 1 . . . . . . . . 5930 1 625 . 1 1 129 129 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 5930 1 626 . 1 1 130 130 GLY H H 1 9.44 0.01 . 1 . . . . . . . . 5930 1 627 . 1 1 130 130 GLY HA2 H 1 4.52 0.01 . 2 . . . . . . . . 5930 1 628 . 1 1 130 130 GLY HA3 H 1 3.36 0.01 . 2 . . . . . . . . 5930 1 629 . 1 1 130 130 GLY C C 13 173.3 0.1 . 1 . . . . . . . . 5930 1 630 . 1 1 130 130 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 5930 1 631 . 1 1 130 130 GLY N N 15 108.5 0.1 . 1 . . . . . . . . 5930 1 632 . 1 1 131 131 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 5930 1 633 . 1 1 131 131 GLU HA H 1 5.42 0.01 . 1 . . . . . . . . 5930 1 634 . 1 1 131 131 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 5930 1 635 . 1 1 131 131 GLU CA C 13 55.3 0.1 . 1 . . . . . . . . 5930 1 636 . 1 1 131 131 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5930 1 637 . 1 1 132 132 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5930 1 638 . 1 1 132 132 ALA HA H 1 4.71 0.01 . 1 . . . . . . . . 5930 1 639 . 1 1 132 132 ALA CA C 13 50.9 0.1 . 1 . . . . . . . . 5930 1 640 . 1 1 132 132 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 5930 1 641 . 1 1 133 133 GLU H H 1 8.14 0.01 . 1 . . . . . . . . 5930 1 642 . 1 1 133 133 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 5930 1 643 . 1 1 133 133 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5930 1 644 . 1 1 133 133 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 5930 1 645 . 1 1 133 133 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 5930 1 646 . 1 1 134 134 THR H H 1 8.03 0.01 . 1 . . . . . . . . 5930 1 647 . 1 1 134 134 THR HA H 1 5.23 0.01 . 1 . . . . . . . . 5930 1 648 . 1 1 134 134 THR C C 13 172.7 0.1 . 1 . . . . . . . . 5930 1 649 . 1 1 134 134 THR CA C 13 61.4 0.1 . 1 . . . . . . . . 5930 1 650 . 1 1 134 134 THR N N 15 110.7 0.1 . 1 . . . . . . . . 5930 1 651 . 1 1 135 135 VAL H H 1 8.57 0.01 . 1 . . . . . . . . 5930 1 652 . 1 1 135 135 VAL HA H 1 4.88 0.01 . 1 . . . . . . . . 5930 1 653 . 1 1 135 135 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 5930 1 654 . 1 1 135 135 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 5930 1 655 . 1 1 135 135 VAL N N 15 125.4 0.1 . 1 . . . . . . . . 5930 1 656 . 1 1 136 136 GLU H H 1 8.96 0.01 . 1 . . . . . . . . 5930 1 657 . 1 1 136 136 GLU HA H 1 5.36 0.01 . 1 . . . . . . . . 5930 1 658 . 1 1 136 136 GLU C C 13 174 0.1 . 1 . . . . . . . . 5930 1 659 . 1 1 136 136 GLU CA C 13 53.6 0.1 . 1 . . . . . . . . 5930 1 660 . 1 1 136 136 GLU N N 15 123.6 0.1 . 1 . . . . . . . . 5930 1 661 . 1 1 137 137 GLU H H 1 8.7 0.01 . 1 . . . . . . . . 5930 1 662 . 1 1 137 137 GLU HA H 1 5.36 0.01 . 1 . . . . . . . . 5930 1 663 . 1 1 137 137 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 5930 1 664 . 1 1 137 137 GLU CA C 13 55.6 0.1 . 1 . . . . . . . . 5930 1 665 . 1 1 137 137 GLU N N 15 124.6 0.1 . 1 . . . . . . . . 5930 1 666 . 1 1 138 138 ARG H H 1 9.08 0.01 . 1 . . . . . . . . 5930 1 667 . 1 1 138 138 ARG HA H 1 4.71 0.01 . 1 . . . . . . . . 5930 1 668 . 1 1 138 138 ARG C C 13 174.2 0.1 . 1 . . . . . . . . 5930 1 669 . 1 1 138 138 ARG CA C 13 54.6 0.1 . 1 . . . . . . . . 5930 1 670 . 1 1 138 138 ARG N N 15 126.4 0.1 . 1 . . . . . . . . 5930 1 671 . 1 1 139 139 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 5930 1 672 . 1 1 139 139 LYS HA H 1 4.93 0.01 . 1 . . . . . . . . 5930 1 673 . 1 1 139 139 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5930 1 674 . 1 1 139 139 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5930 1 675 . 1 1 139 139 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 5930 1 676 . 1 1 140 140 ILE H H 1 8.62 0.01 . 1 . . . . . . . . 5930 1 677 . 1 1 140 140 ILE HA H 1 4.26 0.01 . 1 . . . . . . . . 5930 1 678 . 1 1 140 140 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 5930 1 679 . 1 1 140 140 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 5930 1 680 . 1 1 140 140 ILE N N 15 128.7 0.1 . 1 . . . . . . . . 5930 1 681 . 1 1 141 141 GLY H H 1 8.77 0.01 . 1 . . . . . . . . 5930 1 682 . 1 1 141 141 GLY HA2 H 1 3.98 0.01 . 2 . . . . . . . . 5930 1 683 . 1 1 141 141 GLY HA3 H 1 3.61 0.01 . 2 . . . . . . . . 5930 1 684 . 1 1 141 141 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5930 1 685 . 1 1 141 141 GLY CA C 13 46.9 0.1 . 1 . . . . . . . . 5930 1 686 . 1 1 141 141 GLY N N 15 118.3 0.1 . 1 . . . . . . . . 5930 1 687 . 1 1 142 142 ASP H H 1 8.85 0.01 . 1 . . . . . . . . 5930 1 688 . 1 1 142 142 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 5930 1 689 . 1 1 142 142 ASP C C 13 175.6 0.1 . 1 . . . . . . . . 5930 1 690 . 1 1 142 142 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5930 1 691 . 1 1 142 142 ASP N N 15 126.5 0.1 . 1 . . . . . . . . 5930 1 692 . 1 1 143 143 ASP H H 1 7.91 0.01 . 1 . . . . . . . . 5930 1 693 . 1 1 143 143 ASP HA H 1 4.88 0.01 . 1 . . . . . . . . 5930 1 694 . 1 1 143 143 ASP C C 13 174.6 0.1 . 1 . . . . . . . . 5930 1 695 . 1 1 143 143 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5930 1 696 . 1 1 143 143 ASP N N 15 120 0.1 . 1 . . . . . . . . 5930 1 697 . 1 1 144 144 ARG H H 1 8.36 0.01 . 1 . . . . . . . . 5930 1 698 . 1 1 144 144 ARG HA H 1 4.87 0.01 . 1 . . . . . . . . 5930 1 699 . 1 1 144 144 ARG C C 13 174.6 0.1 . 1 . . . . . . . . 5930 1 700 . 1 1 144 144 ARG CA C 13 55.8 0.1 . 1 . . . . . . . . 5930 1 701 . 1 1 144 144 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 5930 1 702 . 1 1 145 145 MET H H 1 8.7 0.01 . 1 . . . . . . . . 5930 1 703 . 1 1 145 145 MET HA H 1 4.8 0.01 . 1 . . . . . . . . 5930 1 704 . 1 1 145 145 MET C C 13 174 0.1 . 1 . . . . . . . . 5930 1 705 . 1 1 145 145 MET CA C 13 54.5 0.1 . 1 . . . . . . . . 5930 1 706 . 1 1 145 145 MET N N 15 119.2 0.1 . 1 . . . . . . . . 5930 1 707 . 1 1 146 146 THR H H 1 8.62 0.01 . 1 . . . . . . . . 5930 1 708 . 1 1 146 146 THR HA H 1 4.97 0.01 . 1 . . . . . . . . 5930 1 709 . 1 1 146 146 THR C C 13 172.3 0.1 . 1 . . . . . . . . 5930 1 710 . 1 1 146 146 THR CA C 13 63.6 0.1 . 1 . . . . . . . . 5930 1 711 . 1 1 146 146 THR N N 15 118 0.1 . 1 . . . . . . . . 5930 1 712 . 1 1 147 147 PHE H H 1 9.91 0.01 . 1 . . . . . . . . 5930 1 713 . 1 1 147 147 PHE HA H 1 4.86 0.01 . 1 . . . . . . . . 5930 1 714 . 1 1 147 147 PHE C C 13 174.3 0.1 . 1 . . . . . . . . 5930 1 715 . 1 1 147 147 PHE CA C 13 56.7 0.1 . 1 . . . . . . . . 5930 1 716 . 1 1 147 147 PHE N N 15 129.6 0.1 . 1 . . . . . . . . 5930 1 717 . 1 1 148 148 VAL H H 1 8.9 0.01 . 1 . . . . . . . . 5930 1 718 . 1 1 148 148 VAL HA H 1 4.47 0.01 . 1 . . . . . . . . 5930 1 719 . 1 1 148 148 VAL C C 13 174.5 0.1 . 1 . . . . . . . . 5930 1 720 . 1 1 148 148 VAL CA C 13 61.7 0.1 . 1 . . . . . . . . 5930 1 721 . 1 1 148 148 VAL N N 15 124.9 0.1 . 1 . . . . . . . . 5930 1 722 . 1 1 149 149 MET H H 1 9.03 0.01 . 1 . . . . . . . . 5930 1 723 . 1 1 149 149 MET HA H 1 4.95 0.01 . 1 . . . . . . . . 5930 1 724 . 1 1 149 149 MET C C 13 176.3 0.1 . 1 . . . . . . . . 5930 1 725 . 1 1 149 149 MET CA C 13 53.6 0.1 . 1 . . . . . . . . 5930 1 726 . 1 1 149 149 MET N N 15 124.4 0.1 . 1 . . . . . . . . 5930 1 727 . 1 1 150 150 GLY H H 1 8.62 0.01 . 1 . . . . . . . . 5930 1 728 . 1 1 150 150 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 5930 1 729 . 1 1 150 150 GLY HA3 H 1 3.81 0.01 . 2 . . . . . . . . 5930 1 730 . 1 1 150 150 GLY CA C 13 47.8 0.1 . 1 . . . . . . . . 5930 1 731 . 1 1 150 150 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 5930 1 732 . 1 1 151 151 CYS H H 1 8.36 0.01 . 1 . . . . . . . . 5930 1 733 . 1 1 151 151 CYS CA C 13 60.7 0.1 . 1 . . . . . . . . 5930 1 734 . 1 1 151 151 CYS N N 15 119.4 0.1 . 1 . . . . . . . . 5930 1 stop_ save_