data_19137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19137 _Entry.Title ; ERGi Backbone Chemical Shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-02 _Entry.Accession_date 2013-04-02 _Entry.Last_release_date 2013-08-15 _Entry.Original_release_date 2013-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _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.Entry_ID 1 Michael Regan . C. . 19137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 19137 '15N chemical shifts' 88 19137 '1H chemical shifts' 175 19137 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-08-15 2013-04-02 original author . 19137 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19136 'ERG Ets Domain Backbone Chemical Shifts' 19137 BMRB 19138 'ERG DNA Complex' 19137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23898196 _Citation.Full_citation . _Citation.Title 'Structural and dynamic studies of the transcription factor ERG reveal DNA binding is allosterically autoinhibited.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 33 _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 13374 _Citation.Page_last 13379 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Regan . C. . 19137 1 2 Peter Horanyi . S. . 19137 1 3 Edward Pryor . E. Jr. 19137 1 4 Jessica Sarver . L. . 19137 1 5 David Cafiso . S. . 19137 1 6 John Bushweller . H. . 19137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19137 _Assembly.ID 1 _Assembly.Name ERGi _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ERGi 1 $ERGi A . yes native no no . . . 19137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERGi _Entity.Sf_category entity _Entity.Sf_framecode ERGi _Entity.Entry_ID 19137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERGi _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 ; GAMAPQLDPYQILGPTSSRL ANPGSGQIQLWQFLLELLSD SSNSSCITWEGTNGEFKMTD PDEVARRWGERKSKPNMNYD KLSRALRYYYDKNIMTKVHG KRYAYKFDFHGIAQALQPHP PE ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19136 . ERGu . . . . . 73.77 94 100.00 100.00 1.38e-60 . . . . 19137 1 2 no BMRB 19138 . EDComplex . . . . . 100.00 122 100.00 100.00 9.77e-86 . . . . 19137 1 3 no PDB 1FLI . "Dna-Binding Domain Of Fli-1" . . . . . 80.33 98 97.96 100.00 2.36e-66 . . . . 19137 1 4 no PDB 4IRH . "Auto-inhibited Erg Ets Domain" . . . . . 96.72 129 97.46 97.46 1.22e-79 . . . . 19137 1 5 no PDB 4IRI . "Auto-inhibited Erg Ets Domain-dna Complex" . . . . . 96.72 129 100.00 100.00 1.07e-82 . . . . 19137 1 6 no DBJ BAB62744 . "vascular endothelial cell specific protein 14 [Rattus norvegicus]" . . . . . 96.72 455 99.15 100.00 1.12e-78 . . . . 19137 1 7 no DBJ BAB69948 . "Erg [Mus musculus]" . . . . . 96.72 462 99.15 100.00 1.58e-78 . . . . 19137 1 8 no DBJ BAB69949 . "Erg [Mus musculus]" . . . . . 96.72 463 99.15 100.00 9.99e-79 . . . . 19137 1 9 no DBJ BAB69950 . "Erg [Mus musculus]" . . . . . 96.72 486 99.15 100.00 2.18e-78 . . . . 19137 1 10 no DBJ BAC34461 . "unnamed protein product [Mus musculus]" . . . . . 96.72 462 99.15 100.00 1.58e-78 . . . . 19137 1 11 no EMBL CAA47389 . "XLFli protein [Xenopus laevis]" . . . . . 94.26 453 97.39 99.13 3.55e-74 . . . . 19137 1 12 no EMBL CAA54404 . "ERG [Gallus gallus]" . . . . . 96.72 478 99.15 100.00 1.15e-78 . . . . 19137 1 13 no EMBL CAA75077 . "FLI transcription factor [Coturnix coturnix]" . . . . . 96.72 432 97.46 98.31 7.32e-77 . . . . 19137 1 14 no EMBL CAA75078 . "FLI transcription factor< [Coturnix coturnix]" . . . . . 96.72 399 97.46 98.31 5.09e-77 . . . . 19137 1 15 no EMBL CAB46566 . "erg [Xenopus laevis]" . . . . . 96.72 485 99.15 100.00 2.15e-78 . . . . 19137 1 16 no GB AAA35811 . "erg1 protein [Homo sapiens]" . . . . . 96.72 363 100.00 100.00 1.43e-79 . . . . 19137 1 17 no GB AAA52398 . "erg 2 protein [Homo sapiens]" . . . . . 96.72 462 100.00 100.00 5.28e-79 . . . . 19137 1 18 no GB AAB28525 . "immunoglobulin heavy-chain enhancer-binding Ets protein, partial [Mus sp.]" . . . . . 96.72 272 99.15 100.00 6.16e-81 . . . . 19137 1 19 no GB AAB31417 . "EWS-erg fusion protein type 1e, partial [Homo sapiens]" . . . . . 96.72 254 100.00 100.00 8.33e-82 . . . . 19137 1 20 no GB AAB31419 . "EWS-erg fusion protein type 9e, partial [Homo sapiens]" . . . . . 77.87 196 100.00 100.00 5.40e-64 . . . . 19137 1 21 no REF NP_001008616 . "transcriptional regulator ERG [Danio rerio]" . . . . . 95.90 427 98.29 99.15 1.45e-77 . . . . 19137 1 22 no REF NP_001026079 . "Friend leukemia integration 1 transcription factor [Gallus gallus]" . . . . . 96.72 432 97.46 98.31 6.16e-77 . . . . 19137 1 23 no REF NP_001079309 . "v-ets avian erythroblastosis virus E26 oncogene homolog [Xenopus laevis]" . . . . . 96.72 485 99.15 100.00 2.15e-78 . . . . 19137 1 24 no REF NP_001079310 . "v-ets avian erythroblastosis virus E26 oncogene homolog [Xenopus laevis]" . . . . . 96.72 456 99.15 100.00 1.28e-78 . . . . 19137 1 25 no REF NP_001084371 . "retroviral integration site protein Fli-1 homolog [Xenopus laevis]" . . . . . 94.26 453 97.39 99.13 3.55e-74 . . . . 19137 1 26 no SP P11308 . "RecName: Full=Transcriptional regulator ERG; AltName: Full=Transforming protein ERG" . . . . . 96.72 486 100.00 100.00 8.05e-79 . . . . 19137 1 27 no SP P41157 . "RecName: Full=Retroviral integration site protein Fli-1 homolog" . . . . . 94.26 453 97.39 99.13 3.55e-74 . . . . 19137 1 28 no SP P81270 . "RecName: Full=Transcriptional regulator ERG" . . . . . 96.72 486 99.15 100.00 2.18e-78 . . . . 19137 1 29 no SP Q90837 . "RecName: Full=Transcriptional regulator Erg" . . . . . 96.72 478 99.15 100.00 1.15e-78 . . . . 19137 1 30 no TPG DAA32951 . "TPA: v-ets erythroblastosis virus E26 oncogene like [Bos taurus]" . . . . . 96.72 455 99.15 100.00 2.07e-78 . . . . 19137 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 1 267 GLY . 19137 1 2 268 ALA . 19137 1 3 269 MET . 19137 1 4 270 ALA . 19137 1 5 271 PRO . 19137 1 6 272 GLN . 19137 1 7 273 LEU . 19137 1 8 274 ASP . 19137 1 9 275 PRO . 19137 1 10 276 TYR . 19137 1 11 277 GLN . 19137 1 12 278 ILE . 19137 1 13 279 LEU . 19137 1 14 280 GLY . 19137 1 15 281 PRO . 19137 1 16 282 THR . 19137 1 17 283 SER . 19137 1 18 284 SER . 19137 1 19 285 ARG . 19137 1 20 286 LEU . 19137 1 21 287 ALA . 19137 1 22 288 ASN . 19137 1 23 289 PRO . 19137 1 24 290 GLY . 19137 1 25 291 SER . 19137 1 26 292 GLY . 19137 1 27 293 GLN . 19137 1 28 294 ILE . 19137 1 29 295 GLN . 19137 1 30 296 LEU . 19137 1 31 297 TRP . 19137 1 32 298 GLN . 19137 1 33 299 PHE . 19137 1 34 300 LEU . 19137 1 35 301 LEU . 19137 1 36 302 GLU . 19137 1 37 303 LEU . 19137 1 38 304 LEU . 19137 1 39 305 SER . 19137 1 40 306 ASP . 19137 1 41 307 SER . 19137 1 42 308 SER . 19137 1 43 309 ASN . 19137 1 44 310 SER . 19137 1 45 311 SER . 19137 1 46 312 CYS . 19137 1 47 313 ILE . 19137 1 48 314 THR . 19137 1 49 315 TRP . 19137 1 50 316 GLU . 19137 1 51 317 GLY . 19137 1 52 318 THR . 19137 1 53 319 ASN . 19137 1 54 320 GLY . 19137 1 55 321 GLU . 19137 1 56 322 PHE . 19137 1 57 323 LYS . 19137 1 58 324 MET . 19137 1 59 325 THR . 19137 1 60 326 ASP . 19137 1 61 327 PRO . 19137 1 62 328 ASP . 19137 1 63 329 GLU . 19137 1 64 330 VAL . 19137 1 65 331 ALA . 19137 1 66 332 ARG . 19137 1 67 333 ARG . 19137 1 68 334 TRP . 19137 1 69 335 GLY . 19137 1 70 336 GLU . 19137 1 71 337 ARG . 19137 1 72 338 LYS . 19137 1 73 339 SER . 19137 1 74 340 LYS . 19137 1 75 341 PRO . 19137 1 76 342 ASN . 19137 1 77 343 MET . 19137 1 78 344 ASN . 19137 1 79 345 TYR . 19137 1 80 346 ASP . 19137 1 81 347 LYS . 19137 1 82 348 LEU . 19137 1 83 349 SER . 19137 1 84 350 ARG . 19137 1 85 351 ALA . 19137 1 86 352 LEU . 19137 1 87 353 ARG . 19137 1 88 354 TYR . 19137 1 89 355 TYR . 19137 1 90 356 TYR . 19137 1 91 357 ASP . 19137 1 92 358 LYS . 19137 1 93 359 ASN . 19137 1 94 360 ILE . 19137 1 95 361 MET . 19137 1 96 362 THR . 19137 1 97 363 LYS . 19137 1 98 364 VAL . 19137 1 99 365 HIS . 19137 1 100 366 GLY . 19137 1 101 367 LYS . 19137 1 102 368 ARG . 19137 1 103 369 TYR . 19137 1 104 370 ALA . 19137 1 105 371 TYR . 19137 1 106 372 LYS . 19137 1 107 373 PHE . 19137 1 108 374 ASP . 19137 1 109 375 PHE . 19137 1 110 376 HIS . 19137 1 111 377 GLY . 19137 1 112 378 ILE . 19137 1 113 379 ALA . 19137 1 114 380 GLN . 19137 1 115 381 ALA . 19137 1 116 382 LEU . 19137 1 117 383 GLN . 19137 1 118 384 PRO . 19137 1 119 385 HIS . 19137 1 120 386 PRO . 19137 1 121 387 PRO . 19137 1 122 388 GLU . 19137 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 . GLY 1 1 19137 1 . ALA 2 2 19137 1 . MET 3 3 19137 1 . ALA 4 4 19137 1 . PRO 5 5 19137 1 . GLN 6 6 19137 1 . LEU 7 7 19137 1 . ASP 8 8 19137 1 . PRO 9 9 19137 1 . TYR 10 10 19137 1 . GLN 11 11 19137 1 . ILE 12 12 19137 1 . LEU 13 13 19137 1 . GLY 14 14 19137 1 . PRO 15 15 19137 1 . THR 16 16 19137 1 . SER 17 17 19137 1 . SER 18 18 19137 1 . ARG 19 19 19137 1 . LEU 20 20 19137 1 . ALA 21 21 19137 1 . ASN 22 22 19137 1 . PRO 23 23 19137 1 . GLY 24 24 19137 1 . SER 25 25 19137 1 . GLY 26 26 19137 1 . GLN 27 27 19137 1 . ILE 28 28 19137 1 . GLN 29 29 19137 1 . LEU 30 30 19137 1 . TRP 31 31 19137 1 . GLN 32 32 19137 1 . PHE 33 33 19137 1 . LEU 34 34 19137 1 . LEU 35 35 19137 1 . GLU 36 36 19137 1 . LEU 37 37 19137 1 . LEU 38 38 19137 1 . SER 39 39 19137 1 . ASP 40 40 19137 1 . SER 41 41 19137 1 . SER 42 42 19137 1 . ASN 43 43 19137 1 . SER 44 44 19137 1 . SER 45 45 19137 1 . CYS 46 46 19137 1 . ILE 47 47 19137 1 . THR 48 48 19137 1 . TRP 49 49 19137 1 . GLU 50 50 19137 1 . GLY 51 51 19137 1 . THR 52 52 19137 1 . ASN 53 53 19137 1 . GLY 54 54 19137 1 . GLU 55 55 19137 1 . PHE 56 56 19137 1 . LYS 57 57 19137 1 . MET 58 58 19137 1 . THR 59 59 19137 1 . ASP 60 60 19137 1 . PRO 61 61 19137 1 . ASP 62 62 19137 1 . GLU 63 63 19137 1 . VAL 64 64 19137 1 . ALA 65 65 19137 1 . ARG 66 66 19137 1 . ARG 67 67 19137 1 . TRP 68 68 19137 1 . GLY 69 69 19137 1 . GLU 70 70 19137 1 . ARG 71 71 19137 1 . LYS 72 72 19137 1 . SER 73 73 19137 1 . LYS 74 74 19137 1 . PRO 75 75 19137 1 . ASN 76 76 19137 1 . MET 77 77 19137 1 . ASN 78 78 19137 1 . TYR 79 79 19137 1 . ASP 80 80 19137 1 . LYS 81 81 19137 1 . LEU 82 82 19137 1 . SER 83 83 19137 1 . ARG 84 84 19137 1 . ALA 85 85 19137 1 . LEU 86 86 19137 1 . ARG 87 87 19137 1 . TYR 88 88 19137 1 . TYR 89 89 19137 1 . TYR 90 90 19137 1 . ASP 91 91 19137 1 . LYS 92 92 19137 1 . ASN 93 93 19137 1 . ILE 94 94 19137 1 . MET 95 95 19137 1 . THR 96 96 19137 1 . LYS 97 97 19137 1 . VAL 98 98 19137 1 . HIS 99 99 19137 1 . GLY 100 100 19137 1 . LYS 101 101 19137 1 . ARG 102 102 19137 1 . TYR 103 103 19137 1 . ALA 104 104 19137 1 . TYR 105 105 19137 1 . LYS 106 106 19137 1 . PHE 107 107 19137 1 . ASP 108 108 19137 1 . PHE 109 109 19137 1 . HIS 110 110 19137 1 . GLY 111 111 19137 1 . ILE 112 112 19137 1 . ALA 113 113 19137 1 . GLN 114 114 19137 1 . ALA 115 115 19137 1 . LEU 116 116 19137 1 . GLN 117 117 19137 1 . PRO 118 118 19137 1 . HIS 119 119 19137 1 . PRO 120 120 19137 1 . PRO 121 121 19137 1 . GLU 122 122 19137 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 19137 _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 $ERGi . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19137 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 19137 _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 $ERGi . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHis-Parallel2 . . . . . . 19137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 ERGi '[U-98% 13C; U-98% 15N]' . . 1 $ERGi . . 0.5 . . mM . . . . 19137 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19137 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19137 1 4 MgSO4 'natural abundance' . . . . . . 0.2 . . M . . . . 19137 1 5 KPI 'natural abundance' . . . . . . 0.02 . . M . . . . 19137 1 6 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 19137 1 7 DTT 'natural abundance' . . . . . . 0.005 . . M . . . . 19137 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19137 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 19137 1 pH 6.0 . pH 19137 1 pressure 1 . atm 19137 1 temperature 303 . K 19137 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19137 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19137 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19137 _NMR_spectrometer.ID 1 _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 19137 _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 . 600 . . . 19137 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 19137 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 6 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 7 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19137 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19137 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $SPARKY _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19137 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19137 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19137 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19137 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 19137 _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' . . . 19137 1 2 '2D 1H-13C HSQC' . . . 19137 1 3 '3D CBCA(CO)NH' . . . 19137 1 4 '3D HNCO' . . . 19137 1 5 '3D HNCACB' . . . 19137 1 6 '3D HNHA' . . . 19137 1 7 '3D HCACO' . . . 19137 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 6 6 GLN H H 1 8.308 0.0437 . 1 . . . . 272 Gln HN . 19137 1 2 . 1 1 6 6 GLN HA H 1 4.203 0.0012 . 1 . . . . 272 Gln HA . 19137 1 3 . 1 1 6 6 GLN C C 13 175.6 0.0000 . 1 . . . . 272 Gln C . 19137 1 4 . 1 1 6 6 GLN CA C 13 55.55 0.0447 . 1 . . . . 272 Gln CA . 19137 1 5 . 1 1 6 6 GLN CB C 13 29.28 0.0750 . 1 . . . . 272 Gln CB . 19137 1 6 . 1 1 6 6 GLN N N 15 120.6 0.0783 . 1 . . . . 272 Gln N . 19137 1 7 . 1 1 7 7 LEU H H 1 8.012 0.0435 . 1 . . . . 273 Leu HN . 19137 1 8 . 1 1 7 7 LEU HA H 1 4.249 0.0055 . 1 . . . . 273 Leu HA . 19137 1 9 . 1 1 7 7 LEU C C 13 176.0 0.0000 . 1 . . . . 273 Leu C . 19137 1 10 . 1 1 7 7 LEU CA C 13 54.39 0.0732 . 1 . . . . 273 Leu CA . 19137 1 11 . 1 1 7 7 LEU CB C 13 42.61 0.1411 . 1 . . . . 273 Leu CB . 19137 1 12 . 1 1 7 7 LEU N N 15 123.2 0.0964 . 1 . . . . 273 Leu N . 19137 1 13 . 1 1 8 8 ASP H H 1 8.255 0.0397 . 1 . . . . 274 Asp HN . 19137 1 14 . 1 1 8 8 ASP HA H 1 4.866 0.0077 . 1 . . . . 274 Asp HA . 19137 1 15 . 1 1 8 8 ASP CA C 13 51.02 0.1915 . 1 . . . . 274 Asp CA . 19137 1 16 . 1 1 8 8 ASP CB C 13 41.70 0.1034 . 1 . . . . 274 Asp CB . 19137 1 17 . 1 1 8 8 ASP N N 15 122.5 0.0852 . 1 . . . . 274 Asp N . 19137 1 18 . 1 1 23 23 PRO HA H 1 4.364 . . 1 . . . . 289 Pro HA . 19137 1 19 . 1 1 23 23 PRO C C 13 177.5 . . 1 . . . . 289 Pro C . 19137 1 20 . 1 1 23 23 PRO CA C 13 63.10 0.0420 . 1 . . . . 289 Pro CA . 19137 1 21 . 1 1 23 23 PRO CB C 13 31.68 0.0000 . 1 . . . . 289 Pro CB . 19137 1 22 . 1 1 24 24 GLY H H 1 8.350 0.0583 . 1 . . . . 290 Gly HN . 19137 1 23 . 1 1 24 24 GLY CA C 13 46.16 0.0331 . 1 . . . . 290 Gly CA . 19137 1 24 . 1 1 24 24 GLY N N 15 110.8 0.7038 . 1 . . . . 290 Gly N . 19137 1 25 . 1 1 25 25 SER HA H 1 4.378 0.0000 . 1 . . . . 291 Ser HA . 19137 1 26 . 1 1 25 25 SER C C 13 175.0 . . 1 . . . . 291 Ser C . 19137 1 27 . 1 1 25 25 SER CA C 13 58.32 0.7071 . 1 . . . . 291 Ser CA . 19137 1 28 . 1 1 25 25 SER CB C 13 63.52 0.5982 . 1 . . . . 291 Ser CB . 19137 1 29 . 1 1 26 26 GLY H H 1 8.005 0.0581 . 1 . . . . 292 Gly HN . 19137 1 30 . 1 1 26 26 GLY C C 13 173.0 0.0000 . 1 . . . . 292 Gly C . 19137 1 31 . 1 1 26 26 GLY CA C 13 44.43 0.0986 . 1 . . . . 292 Gly CA . 19137 1 32 . 1 1 26 26 GLY N N 15 110.2 0.0918 . 1 . . . . 292 Gly N . 19137 1 33 . 1 1 27 27 GLN H H 1 8.095 0.0469 . 1 . . . . 293 Gln HN . 19137 1 34 . 1 1 27 27 GLN HA H 1 4.282 . . 1 . . . . 293 Gln HA . 19137 1 35 . 1 1 27 27 GLN C C 13 176.7 . . 1 . . . . 293 Gln C . 19137 1 36 . 1 1 27 27 GLN CA C 13 54.76 0.0100 . 1 . . . . 293 Gln CA . 19137 1 37 . 1 1 27 27 GLN CB C 13 29.59 0.1045 . 1 . . . . 293 Gln CB . 19137 1 38 . 1 1 27 27 GLN N N 15 117.8 0.0927 . 1 . . . . 293 Gln N . 19137 1 39 . 1 1 28 28 ILE HA H 1 3.977 . . 1 . . . . 294 Ile HA . 19137 1 40 . 1 1 28 28 ILE C C 13 173.9 0.0000 . 1 . . . . 294 Ile C . 19137 1 41 . 1 1 28 28 ILE CA C 13 61.83 0.0736 . 1 . . . . 294 Ile CA . 19137 1 42 . 1 1 28 28 ILE CB C 13 39.36 0.0000 . 1 . . . . 294 Ile CB . 19137 1 43 . 1 1 29 29 GLN H H 1 8.183 0.0491 . 1 . . . . 295 Gln HN . 19137 1 44 . 1 1 29 29 GLN HA H 1 4.681 . . 1 . . . . 295 Gln HA . 19137 1 45 . 1 1 29 29 GLN C C 13 177.7 0.0000 . 1 . . . . 295 Gln C . 19137 1 46 . 1 1 29 29 GLN CA C 13 53.40 0.0442 . 1 . . . . 295 Gln CA . 19137 1 47 . 1 1 29 29 GLN CB C 13 31.72 0.1160 . 1 . . . . 295 Gln CB . 19137 1 48 . 1 1 29 29 GLN N N 15 123.9 0.0690 . 1 . . . . 295 Gln N . 19137 1 49 . 1 1 30 30 LEU H H 1 9.051 0.0447 . 1 . . . . 296 Leu HN . 19137 1 50 . 1 1 30 30 LEU HA H 1 2.678 . . 1 . . . . 296 Leu HA . 19137 1 51 . 1 1 30 30 LEU C C 13 177.8 0.0000 . 1 . . . . 296 Leu C . 19137 1 52 . 1 1 30 30 LEU CA C 13 58.37 0.0995 . 1 . . . . 296 Leu CA . 19137 1 53 . 1 1 30 30 LEU CB C 13 39.54 0.0125 . 1 . . . . 296 Leu CB . 19137 1 54 . 1 1 30 30 LEU N N 15 124.9 0.0608 . 1 . . . . 296 Leu N . 19137 1 55 . 1 1 31 31 TRP H H 1 7.121 0.0560 . 1 . . . . 297 Trp HN . 19137 1 56 . 1 1 31 31 TRP HA H 1 3.803 . . 1 . . . . 297 Trp HA . 19137 1 57 . 1 1 31 31 TRP C C 13 176.2 0.0000 . 1 . . . . 297 Trp C . 19137 1 58 . 1 1 31 31 TRP CA C 13 59.67 0.0684 . 1 . . . . 297 Trp CA . 19137 1 59 . 1 1 31 31 TRP CB C 13 26.87 1.2054 . 1 . . . . 297 Trp CB . 19137 1 60 . 1 1 31 31 TRP N N 15 113. 0.0792 . 1 . . . . 297 Trp N . 19137 1 61 . 1 1 32 32 GLN H H 1 5.330 0.0438 . 1 . . . . 298 Gln HN . 19137 1 62 . 1 1 32 32 GLN CA C 13 58.05 0.0803 . 1 . . . . 298 Gln CA . 19137 1 63 . 1 1 32 32 GLN CB C 13 27.90 2.4145 . 1 . . . . 298 Gln CB . 19137 1 64 . 1 1 32 32 GLN N N 15 119.3 0.0761 . 1 . . . . 298 Gln N . 19137 1 65 . 1 1 33 33 PHE HA H 1 4.518 . . 1 . . . . 299 Phe HA . 19137 1 66 . 1 1 33 33 PHE C C 13 175.8 0.0000 . 1 . . . . 299 Phe C . 19137 1 67 . 1 1 33 33 PHE CA C 13 62.45 0.1946 . 1 . . . . 299 Phe CA . 19137 1 68 . 1 1 34 34 LEU H H 1 7.774 0.0472 . 1 . . . . 300 Leu HN . 19137 1 69 . 1 1 34 34 LEU HA H 1 3.383 . . 1 . . . . 300 Leu HA . 19137 1 70 . 1 1 34 34 LEU C C 13 178.3 0.0000 . 1 . . . . 300 Leu C . 19137 1 71 . 1 1 34 34 LEU CA C 13 57.87 0.0508 . 1 . . . . 300 Leu CA . 19137 1 72 . 1 1 34 34 LEU CB C 13 39.84 0.0211 . 1 . . . . 300 Leu CB . 19137 1 73 . 1 1 34 34 LEU N N 15 116.4 0.0641 . 1 . . . . 300 Leu N . 19137 1 74 . 1 1 35 35 LEU H H 1 6.903 0.0457 . 1 . . . . 301 Leu HN . 19137 1 75 . 1 1 35 35 LEU HA H 1 3.626 0.0017 . 1 . . . . 301 Leu HA . 19137 1 76 . 1 1 35 35 LEU C C 13 178.4 . . 1 . . . . 301 Leu C . 19137 1 77 . 1 1 35 35 LEU CA C 13 57.74 0.0825 . 1 . . . . 301 Leu CA . 19137 1 78 . 1 1 35 35 LEU CB C 13 40.94 0.0786 . 1 . . . . 301 Leu CB . 19137 1 79 . 1 1 35 35 LEU N N 15 117.3 0.0616 . 1 . . . . 301 Leu N . 19137 1 80 . 1 1 36 36 GLU H H 1 8.215 . . 1 . . . . 302 Glu HN . 19137 1 81 . 1 1 36 36 GLU HA H 1 3.471 . . 1 . . . . 302 Glu HA . 19137 1 82 . 1 1 36 36 GLU C C 13 181.3 . . 1 . . . . 302 Glu C . 19137 1 83 . 1 1 36 36 GLU CA C 13 59.55 0.0000 . 1 . . . . 302 Glu CA . 19137 1 84 . 1 1 36 36 GLU CB C 13 29.28 0.0000 . 1 . . . . 302 Glu CB . 19137 1 85 . 1 1 36 36 GLU N N 15 122.1 . . 1 . . . . 302 Glu N . 19137 1 86 . 1 1 37 37 LEU H H 1 7.801 0.0562 . 1 . . . . 303 Leu HN . 19137 1 87 . 1 1 37 37 LEU C C 13 180.7 . . 1 . . . . 303 Leu C . 19137 1 88 . 1 1 37 37 LEU CA C 13 57.03 0.0278 . 1 . . . . 303 Leu CA . 19137 1 89 . 1 1 37 37 LEU CB C 13 42.29 0.0000 . 1 . . . . 303 Leu CB . 19137 1 90 . 1 1 37 37 LEU N N 15 120.2 0.0928 . 1 . . . . 303 Leu N . 19137 1 91 . 1 1 38 38 LEU H H 1 7.617 0.0676 . 1 . . . . 304 Leu HN . 19137 1 92 . 1 1 38 38 LEU HA H 1 3.801 . . 1 . . . . 304 Leu HA . 19137 1 93 . 1 1 38 38 LEU C C 13 175.9 0.0000 . 1 . . . . 304 Leu C . 19137 1 94 . 1 1 38 38 LEU CA C 13 55.99 0.0665 . 1 . . . . 304 Leu CA . 19137 1 95 . 1 1 38 38 LEU CB C 13 41.12 0.0372 . 1 . . . . 304 Leu CB . 19137 1 96 . 1 1 38 38 LEU N N 15 119.3 0.0817 . 1 . . . . 304 Leu N . 19137 1 97 . 1 1 39 39 SER H H 1 7.370 0.0408 . 1 . . . . 305 Ser HN . 19137 1 98 . 1 1 39 39 SER HA H 1 4.499 0.0125 . 1 . . . . 305 Ser HA . 19137 1 99 . 1 1 39 39 SER C C 13 173.1 0.0000 . 1 . . . . 305 Ser C . 19137 1 100 . 1 1 39 39 SER CA C 13 59.72 0.0937 . 1 . . . . 305 Ser CA . 19137 1 101 . 1 1 39 39 SER CB C 13 63.79 0.0412 . 1 . . . . 305 Ser CB . 19137 1 102 . 1 1 39 39 SER N N 15 112.8 0.0592 . 1 . . . . 305 Ser N . 19137 1 103 . 1 1 40 40 ASP H H 1 7.050 0.0417 . 1 . . . . 306 Asp HN . 19137 1 104 . 1 1 40 40 ASP HA H 1 4.869 0.0024 . 1 . . . . 306 Asp HA . 19137 1 105 . 1 1 40 40 ASP C C 13 176.2 0.0000 . 1 . . . . 306 Asp C . 19137 1 106 . 1 1 40 40 ASP CA C 13 52.53 0.0990 . 1 . . . . 306 Asp CA . 19137 1 107 . 1 1 40 40 ASP CB C 13 43.79 0.1728 . 1 . . . . 306 Asp CB . 19137 1 108 . 1 1 40 40 ASP N N 15 119.9 0.0863 . 1 . . . . 306 Asp N . 19137 1 109 . 1 1 41 41 SER H H 1 8.721 0.0591 . 1 . . . . 307 Ser HN . 19137 1 110 . 1 1 41 41 SER C C 13 176.5 0.0000 . 1 . . . . 307 Ser C . 19137 1 111 . 1 1 41 41 SER CA C 13 60.74 0.0886 . 1 . . . . 307 Ser CA . 19137 1 112 . 1 1 41 41 SER CB C 13 62.04 0.1512 . 1 . . . . 307 Ser CB . 19137 1 113 . 1 1 41 41 SER N N 15 122.7 0.0825 . 1 . . . . 307 Ser N . 19137 1 114 . 1 1 42 42 SER H H 1 8.916 0.0517 . 1 . . . . 308 Ser HN . 19137 1 115 . 1 1 42 42 SER HA H 1 4.263 0.0245 . 1 . . . . 308 Ser HA . 19137 1 116 . 1 1 42 42 SER C C 13 176.4 0.0000 . 1 . . . . 308 Ser C . 19137 1 117 . 1 1 42 42 SER CA C 13 60.72 0.0126 . 1 . . . . 308 Ser CA . 19137 1 118 . 1 1 42 42 SER CB C 13 62.28 0.1633 . 1 . . . . 308 Ser CB . 19137 1 119 . 1 1 42 42 SER N N 15 120.7 0.0770 . 1 . . . . 308 Ser N . 19137 1 120 . 1 1 43 43 ASN H H 1 7.777 0.0489 . 1 . . . . 309 Asn HN . 19137 1 121 . 1 1 43 43 ASN HA H 1 5.080 . . 1 . . . . 309 Asn HA . 19137 1 122 . 1 1 43 43 ASN C C 13 176.1 0.0000 . 1 . . . . 309 Asn C . 19137 1 123 . 1 1 43 43 ASN CA C 13 53.07 0.0371 . 1 . . . . 309 Asn CA . 19137 1 124 . 1 1 43 43 ASN CB C 13 38.95 0.0521 . 1 . . . . 309 Asn CB . 19137 1 125 . 1 1 43 43 ASN N N 15 116.4 0.0751 . 1 . . . . 309 Asn N . 19137 1 126 . 1 1 44 44 SER H H 1 7.973 . . 1 . . . . 310 Ser HN . 19137 1 127 . 1 1 44 44 SER C C 13 174.7 . . 1 . . . . 310 Ser C . 19137 1 128 . 1 1 44 44 SER CA C 13 61.46 0.0658 . 1 . . . . 310 Ser CA . 19137 1 129 . 1 1 44 44 SER CB C 13 62.64 0.1150 . 1 . . . . 310 Ser CB . 19137 1 130 . 1 1 44 44 SER N N 15 118.5 . . 1 . . . . 310 Ser N . 19137 1 131 . 1 1 45 45 SER H H 1 7.790 0.0688 . 1 . . . . 311 Ser HN . 19137 1 132 . 1 1 45 45 SER HA H 1 4.121 . . 1 . . . . 311 Ser HA . 19137 1 133 . 1 1 45 45 SER C C 13 174.5 . . 1 . . . . 311 Ser C . 19137 1 134 . 1 1 45 45 SER CA C 13 59.47 0.0725 . 1 . . . . 311 Ser CA . 19137 1 135 . 1 1 45 45 SER CB C 13 62.42 0.0979 . 1 . . . . 311 Ser CB . 19137 1 136 . 1 1 45 45 SER N N 15 115.4 0.0894 . 1 . . . . 311 Ser N . 19137 1 137 . 1 1 46 46 CYS H H 1 8.247 0.0501 . 1 . . . . 312 Cys HN . 19137 1 138 . 1 1 46 46 CYS HA H 1 4.975 0.0125 . 1 . . . . 312 Cys HA . 19137 1 139 . 1 1 46 46 CYS C C 13 173.7 0.0000 . 1 . . . . 312 Cys C . 19137 1 140 . 1 1 46 46 CYS CA C 13 57.68 0.0652 . 1 . . . . 312 Cys CA . 19137 1 141 . 1 1 46 46 CYS CB C 13 30.41 0.0906 . 1 . . . . 312 Cys CB . 19137 1 142 . 1 1 46 46 CYS N N 15 115.5 0.0912 . 1 . . . . 312 Cys N . 19137 1 143 . 1 1 47 47 ILE H H 1 8.022 0.0457 . 1 . . . . 313 Ile HN . 19137 1 144 . 1 1 47 47 ILE HA H 1 4.924 . . 1 . . . . 313 Ile HA . 19137 1 145 . 1 1 47 47 ILE C C 13 171.7 0.0000 . 1 . . . . 313 Ile C . 19137 1 146 . 1 1 47 47 ILE CA C 13 60.75 0.0386 . 1 . . . . 313 Ile CA . 19137 1 147 . 1 1 47 47 ILE CB C 13 40.14 0.0380 . 1 . . . . 313 Ile CB . 19137 1 148 . 1 1 47 47 ILE N N 15 123.6 0.0614 . 1 . . . . 313 Ile N . 19137 1 149 . 1 1 48 48 THR H H 1 8.760 0.0488 . 1 . . . . 314 Thr HN . 19137 1 150 . 1 1 48 48 THR HA H 1 4.585 . . 1 . . . . 314 Thr HA . 19137 1 151 . 1 1 48 48 THR C C 13 172.1 . . 1 . . . . 314 Thr C . 19137 1 152 . 1 1 48 48 THR CA C 13 60.45 0.0983 . 1 . . . . 314 Thr CA . 19137 1 153 . 1 1 48 48 THR CB C 13 71.35 0.0425 . 1 . . . . 314 Thr CB . 19137 1 154 . 1 1 48 48 THR N N 15 119.9 0.0838 . 1 . . . . 314 Thr N . 19137 1 155 . 1 1 49 49 TRP HA H 1 4.914 . . 1 . . . . 315 Trp HA . 19137 1 156 . 1 1 49 49 TRP C C 13 176.1 0.0000 . 1 . . . . 315 Trp C . 19137 1 157 . 1 1 49 49 TRP CA C 13 57.02 0.1084 . 1 . . . . 315 Trp CA . 19137 1 158 . 1 1 49 49 TRP CB C 13 32.09 . . 1 . . . . 315 Trp CB . 19137 1 159 . 1 1 50 50 GLU H H 1 8.799 0.0571 . 1 . . . . 316 Glu HN . 19137 1 160 . 1 1 50 50 GLU HA H 1 4.673 . . 1 . . . . 316 Glu HA . 19137 1 161 . 1 1 50 50 GLU C C 13 174.8 0.0000 . 1 . . . . 316 Glu C . 19137 1 162 . 1 1 50 50 GLU CA C 13 55.35 0.1017 . 1 . . . . 316 Glu CA . 19137 1 163 . 1 1 50 50 GLU CB C 13 31.40 0.0771 . 1 . . . . 316 Glu CB . 19137 1 164 . 1 1 50 50 GLU N N 15 123.9 0.0839 . 1 . . . . 316 Glu N . 19137 1 165 . 1 1 51 51 GLY H H 1 8.370 0.0392 . 1 . . . . 317 Gly HN . 19137 1 166 . 1 1 51 51 GLY CA C 13 44.80 0.0580 . 1 . . . . 317 Gly CA . 19137 1 167 . 1 1 51 51 GLY N N 15 111.7 0.0632 . 1 . . . . 317 Gly N . 19137 1 168 . 1 1 52 52 THR HA H 1 4.264 . . 1 . . . . 318 Thr HA . 19137 1 169 . 1 1 52 52 THR C C 13 173.9 0.0000 . 1 . . . . 318 Thr C . 19137 1 170 . 1 1 52 52 THR CA C 13 61.24 0.1067 . 1 . . . . 318 Thr CA . 19137 1 171 . 1 1 52 52 THR CB C 13 68.61 0.0000 . 1 . . . . 318 Thr CB . 19137 1 172 . 1 1 53 53 ASN H H 1 8.699 0.0479 . 1 . . . . 319 Asn HN . 19137 1 173 . 1 1 53 53 ASN HA H 1 4.902 0.0040 . 1 . . . . 319 Asn HA . 19137 1 174 . 1 1 53 53 ASN C C 13 175.3 0.0000 . 1 . . . . 319 Asn C . 19137 1 175 . 1 1 53 53 ASN CA C 13 53.12 0.0692 . 1 . . . . 319 Asn CA . 19137 1 176 . 1 1 53 53 ASN CB C 13 39.45 0.1482 . 1 . . . . 319 Asn CB . 19137 1 177 . 1 1 53 53 ASN N N 15 119.4 0.1004 . 1 . . . . 319 Asn N . 19137 1 178 . 1 1 54 54 GLY H H 1 8.867 0.0624 . 1 . . . . 320 Gly HN . 19137 1 179 . 1 1 54 54 GLY C C 13 174.6 0.0000 . 1 . . . . 320 Gly C . 19137 1 180 . 1 1 54 54 GLY CA C 13 45.60 0.1209 . 1 . . . . 320 Gly CA . 19137 1 181 . 1 1 54 54 GLY N N 15 108.0 0.0228 . 1 . . . . 320 Gly N . 19137 1 182 . 1 1 55 55 GLU H H 1 8.413 0.0530 . 1 . . . . 321 Asp HN . 19137 1 183 . 1 1 55 55 GLU HA H 1 5.023 . . 1 . . . . 321 Asp HA . 19137 1 184 . 1 1 55 55 GLU C C 13 176.3 0.0000 . 1 . . . . 321 Asp C . 19137 1 185 . 1 1 55 55 GLU CA C 13 57.03 0.0467 . 1 . . . . 321 Asp CA . 19137 1 186 . 1 1 55 55 GLU CB C 13 29.62 0.0406 . 1 . . . . 321 Asp CB . 19137 1 187 . 1 1 55 55 GLU N N 15 123. 0.0689 . 1 . . . . 321 Asp N . 19137 1 188 . 1 1 56 56 PHE H H 1 9.493 0.0448 . 1 . . . . 322 Phe HN . 19137 1 189 . 1 1 56 56 PHE HA H 1 5.324 0.0019 . 1 . . . . 322 Phe HA . 19137 1 190 . 1 1 56 56 PHE C C 13 171.7 0.0000 . 1 . . . . 322 Phe C . 19137 1 191 . 1 1 56 56 PHE CA C 13 56.07 0.0680 . 1 . . . . 322 Phe CA . 19137 1 192 . 1 1 56 56 PHE CB C 13 42.72 0.0720 . 1 . . . . 322 Phe CB . 19137 1 193 . 1 1 56 56 PHE N N 15 122.7 0.0612 . 1 . . . . 322 Phe N . 19137 1 194 . 1 1 57 57 LYS H H 1 9.209 0.0491 . 1 . . . . 323 Lys HN . 19137 1 195 . 1 1 57 57 LYS HA H 1 5.305 . . 1 . . . . 323 Lys HA . 19137 1 196 . 1 1 57 57 LYS C C 13 175.8 0.0000 . 1 . . . . 323 Lys C . 19137 1 197 . 1 1 57 57 LYS CA C 13 53.71 0.0494 . 1 . . . . 323 Lys CA . 19137 1 198 . 1 1 57 57 LYS CB C 13 36.15 0.0250 . 1 . . . . 323 Lys CB . 19137 1 199 . 1 1 57 57 LYS N N 15 117.8 0.1479 . 1 . . . . 323 Lys N . 19137 1 200 . 1 1 58 58 MET H H 1 8.656 . . 1 . . . . 324 Met HN . 19137 1 201 . 1 1 58 58 MET HA H 1 4.806 0.0508 . 1 . . . . 324 Met HA . 19137 1 202 . 1 1 58 58 MET C C 13 174.1 0.0000 . 1 . . . . 324 Met C . 19137 1 203 . 1 1 58 58 MET CA C 13 54.94 0.0232 . 1 . . . . 324 Met CA . 19137 1 204 . 1 1 58 58 MET CB C 13 31.59 0.0451 . 1 . . . . 324 Met CB . 19137 1 205 . 1 1 58 58 MET N N 15 121.3 0.1935 . 1 . . . . 324 Met N . 19137 1 206 . 1 1 59 59 THR H H 1 7.206 0.0461 . 1 . . . . 325 Thr HN . 19137 1 207 . 1 1 59 59 THR HA H 1 3.886 0.0042 . 1 . . . . 325 Thr HA . 19137 1 208 . 1 1 59 59 THR C C 13 175.9 0.0000 . 1 . . . . 325 Thr C . 19137 1 209 . 1 1 59 59 THR CA C 13 62.63 0.1079 . 1 . . . . 325 Thr CA . 19137 1 210 . 1 1 59 59 THR CB C 13 68.05 0.0741 . 1 . . . . 325 Thr CB . 19137 1 211 . 1 1 59 59 THR N N 15 118.1 0.0655 . 1 . . . . 325 Thr N . 19137 1 212 . 1 1 60 60 ASP H H 1 7.755 . . 1 . . . . 326 Asp HN . 19137 1 213 . 1 1 60 60 ASP HA H 1 4.714 . . 1 . . . . 326 Asp HA . 19137 1 214 . 1 1 60 60 ASP C C 13 176.3 . . 1 . . . . 326 Asp C . 19137 1 215 . 1 1 60 60 ASP CA C 13 51.87 0.1408 . 1 . . . . 326 Asp CA . 19137 1 216 . 1 1 60 60 ASP CB C 13 40.98 0.0215 . 1 . . . . 326 Asp CB . 19137 1 217 . 1 1 60 60 ASP N N 15 116. 0.0708 . 1 . . . . 326 Asp N . 19137 1 218 . 1 1 61 61 PRO HA H 1 3.799 . . 1 . . . . 327 Pro HA . 19137 1 219 . 1 1 61 61 PRO C C 13 177.9 0.0000 . 1 . . . . 327 Pro C . 19137 1 220 . 1 1 61 61 PRO CA C 13 65.17 0.0991 . 1 . . . . 327 Pro CA . 19137 1 221 . 1 1 61 61 PRO CB C 13 31.97 0.0481 . 1 . . . . 327 Pro CB . 19137 1 222 . 1 1 62 62 ASP H H 1 7.597 0.0367 . 1 . . . . 328 Asp HN . 19137 1 223 . 1 1 62 62 ASP HA H 1 4.338 0.0076 . 1 . . . . 328 Asp HA . 19137 1 224 . 1 1 62 62 ASP C C 13 178.7 0.0000 . 1 . . . . 328 Asp C . 19137 1 225 . 1 1 62 62 ASP CA C 13 57.44 0.0642 . 1 . . . . 328 Asp CA . 19137 1 226 . 1 1 62 62 ASP CB C 13 40.11 0.0494 . 1 . . . . 328 Asp CB . 19137 1 227 . 1 1 62 62 ASP N N 15 115.5 0.0556 . 1 . . . . 328 Asp N . 19137 1 228 . 1 1 63 63 GLU H H 1 7.448 0.0498 . 1 . . . . 329 Glu HN . 19137 1 229 . 1 1 63 63 GLU HA H 1 4.372 0.0000 . 1 . . . . 329 Glu HA . 19137 1 230 . 1 1 63 63 GLU C C 13 178.5 0.0000 . 1 . . . . 329 Glu C . 19137 1 231 . 1 1 63 63 GLU CA C 13 57.44 0.0494 . 1 . . . . 329 Glu CA . 19137 1 232 . 1 1 63 63 GLU CB C 13 28.49 0.0479 . 1 . . . . 329 Glu CB . 19137 1 233 . 1 1 63 63 GLU N N 15 123.0 0.0685 . 1 . . . . 329 Glu N . 19137 1 234 . 1 1 64 64 VAL H H 1 7.732 0.0420 . 1 . . . . 330 Val HN . 19137 1 235 . 1 1 64 64 VAL HA H 1 3.253 0.0021 . 1 . . . . 330 Val HA . 19137 1 236 . 1 1 64 64 VAL C C 13 177.8 0.0000 . 1 . . . . 330 Val C . 19137 1 237 . 1 1 64 64 VAL CA C 13 67.94 0.1149 . 1 . . . . 330 Val CA . 19137 1 238 . 1 1 64 64 VAL CB C 13 31.11 0.0810 . 1 . . . . 330 Val CB . 19137 1 239 . 1 1 64 64 VAL N N 15 120.0 0.0637 . 1 . . . . 330 Val N . 19137 1 240 . 1 1 65 65 ALA H H 1 7.837 0.0408 . 1 . . . . 331 Ala HN . 19137 1 241 . 1 1 65 65 ALA HA H 1 3.979 0.0000 . 1 . . . . 331 Ala HA . 19137 1 242 . 1 1 65 65 ALA C C 13 178.4 0.0000 . 1 . . . . 331 Ala C . 19137 1 243 . 1 1 65 65 ALA CA C 13 55.32 0.0329 . 1 . . . . 331 Ala CA . 19137 1 244 . 1 1 65 65 ALA CB C 13 17.54 0.0440 . 1 . . . . 331 Ala CB . 19137 1 245 . 1 1 65 65 ALA N N 15 118.5 0.0711 . 1 . . . . 331 Ala N . 19137 1 246 . 1 1 66 66 ARG H H 1 8.224 0.0410 . 1 . . . . 332 Arg HN . 19137 1 247 . 1 1 66 66 ARG HA H 1 3.914 0.0000 . 1 . . . . 332 Arg HA . 19137 1 248 . 1 1 66 66 ARG C C 13 180.3 0.0000 . 1 . . . . 332 Arg C . 19137 1 249 . 1 1 66 66 ARG CA C 13 59.37 0.0507 . 1 . . . . 332 Arg CA . 19137 1 250 . 1 1 66 66 ARG CB C 13 30.08 0.0265 . 1 . . . . 332 Arg CB . 19137 1 251 . 1 1 66 66 ARG N N 15 119.5 0.0668 . 1 . . . . 332 Arg N . 19137 1 252 . 1 1 67 67 ARG H H 1 8.463 0.0433 . 1 . . . . 333 Arg HN . 19137 1 253 . 1 1 67 67 ARG HA H 1 3.989 0.0000 . 1 . . . . 333 Arg HA . 19137 1 254 . 1 1 67 67 ARG C C 13 179.4 0.0000 . 1 . . . . 333 Arg C . 19137 1 255 . 1 1 67 67 ARG CA C 13 59.59 0.0809 . 1 . . . . 333 Arg CA . 19137 1 256 . 1 1 67 67 ARG CB C 13 30.06 0.0566 . 1 . . . . 333 Arg CB . 19137 1 257 . 1 1 67 67 ARG N N 15 118.8 0.0742 . 1 . . . . 333 Arg N . 19137 1 258 . 1 1 68 68 TRP H H 1 8.456 0.0397 . 1 . . . . 334 Trp HN . 19137 1 259 . 1 1 68 68 TRP HA H 1 3.930 0.0150 . 1 . . . . 334 Trp HA . 19137 1 260 . 1 1 68 68 TRP C C 13 176.7 0.0000 . 1 . . . . 334 Trp C . 19137 1 261 . 1 1 68 68 TRP CA C 13 57.97 0.0822 . 1 . . . . 334 Trp CA . 19137 1 262 . 1 1 68 68 TRP CB C 13 30.28 0.1404 . 1 . . . . 334 Trp CB . 19137 1 263 . 1 1 68 68 TRP N N 15 123.9 0.0922 . 1 . . . . 334 Trp N . 19137 1 264 . 1 1 69 69 GLY H H 1 8.456 0.0488 . 1 . . . . 335 Gly HN . 19137 1 265 . 1 1 69 69 GLY HA2 H 1 3.784 . . 1 . . . . 335 Gly HA . 19137 1 266 . 1 1 69 69 GLY HA3 H 1 3.784 . . 1 . . . . 335 Gly HA . 19137 1 267 . 1 1 69 69 GLY C C 13 176.4 0.0000 . 1 . . . . 335 Gly C . 19137 1 268 . 1 1 69 69 GLY CA C 13 47.74 0.1031 . 1 . . . . 335 Gly CA . 19137 1 269 . 1 1 69 69 GLY N N 15 105.5 0.0964 . 1 . . . . 335 Gly N . 19137 1 270 . 1 1 70 70 GLU H H 1 7.807 0.0518 . 1 . . . . 336 Glu HN . 19137 1 271 . 1 1 70 70 GLU HA H 1 3.860 0.0015 . 1 . . . . 336 Glu HA . 19137 1 272 . 1 1 70 70 GLU C C 13 179.1 0.0000 . 1 . . . . 336 Glu C . 19137 1 273 . 1 1 70 70 GLU CA C 13 58.84 0.0631 . 1 . . . . 336 Glu CA . 19137 1 274 . 1 1 70 70 GLU CB C 13 29.52 0.0902 . 1 . . . . 336 Glu CB . 19137 1 275 . 1 1 70 70 GLU N N 15 120.5 0.1039 . 1 . . . . 336 Glu N . 19137 1 276 . 1 1 71 71 ARG H H 1 7.547 0.0799 . 1 . . . . 337 Arg HN . 19137 1 277 . 1 1 71 71 ARG HA H 1 3.940 0.0000 . 1 . . . . 337 Arg HA . 19137 1 278 . 1 1 71 71 ARG C C 13 177.3 0.0000 . 1 . . . . 337 Arg C . 19137 1 279 . 1 1 71 71 ARG CA C 13 56.32 0.0425 . 1 . . . . 337 Arg CA . 19137 1 280 . 1 1 71 71 ARG CB C 13 28.69 0.1039 . 1 . . . . 337 Arg CB . 19137 1 281 . 1 1 71 71 ARG N N 15 120.6 0.1023 . 1 . . . . 337 Arg N . 19137 1 282 . 1 1 72 72 LYS H H 1 7.250 0.0479 . 1 . . . . 338 Lys HN . 19137 1 283 . 1 1 72 72 LYS HA H 1 3.842 0.0036 . 1 . . . . 338 Lys HA . 19137 1 284 . 1 1 72 72 LYS C C 13 175.1 0.0000 . 1 . . . . 338 Lys C . 19137 1 285 . 1 1 72 72 LYS CA C 13 52.35 0.1140 . 1 . . . . 338 Lys CA . 19137 1 286 . 1 1 72 72 LYS CB C 13 30.40 0.1189 . 1 . . . . 338 Lys CB . 19137 1 287 . 1 1 72 72 LYS N N 15 115.1 0.0976 . 1 . . . . 338 Lys N . 19137 1 288 . 1 1 73 73 SER H H 1 7.221 0.0428 . 1 . . . . 339 Ser HN . 19137 1 289 . 1 1 73 73 SER HA H 1 3.777 0.0000 . 1 . . . . 339 Ser HA . 19137 1 290 . 1 1 73 73 SER C C 13 173.7 0.0000 . 1 . . . . 339 Ser C . 19137 1 291 . 1 1 73 73 SER CA C 13 58.34 0.1038 . 1 . . . . 339 Ser CA . 19137 1 292 . 1 1 73 73 SER CB C 13 61.06 0.0343 . 1 . . . . 339 Ser CB . 19137 1 293 . 1 1 73 73 SER N N 15 114.3 0.0825 . 1 . . . . 339 Ser N . 19137 1 294 . 1 1 74 74 LYS H H 1 8.440 0.0411 . 1 . . . . 340 Lys HN . 19137 1 295 . 1 1 74 74 LYS HA H 1 4.664 0.0000 . 1 . . . . 340 Lys HA . 19137 1 296 . 1 1 74 74 LYS CA C 13 51.78 0.1049 . 1 . . . . 340 Lys CA . 19137 1 297 . 1 1 74 74 LYS CB C 13 33.94 0.0175 . 1 . . . . 340 Lys CB . 19137 1 298 . 1 1 74 74 LYS N N 15 119.2 0.0637 . 1 . . . . 340 Lys N . 19137 1 299 . 1 1 75 75 PRO C C 13 176.9 0.0000 . 1 . . . . 341 Pro C . 19137 1 300 . 1 1 75 75 PRO CA C 13 63.35 0.0687 . 1 . . . . 341 Pro CA . 19137 1 301 . 1 1 75 75 PRO CB C 13 31.93 0.0966 . 1 . . . . 341 Pro CB . 19137 1 302 . 1 1 76 76 ASN H H 1 8.273 0.0491 . 1 . . . . 342 Asn HN . 19137 1 303 . 1 1 76 76 ASN HA H 1 4.543 0.0000 . 1 . . . . 342 Asn HA . 19137 1 304 . 1 1 76 76 ASN C C 13 175.1 3.0715 . 1 . . . . 342 Asn C . 19137 1 305 . 1 1 76 76 ASN CA C 13 52.56 1.0690 . 1 . . . . 342 Asn CA . 19137 1 306 . 1 1 76 76 ASN CB C 13 37.12 2.9795 . 1 . . . . 342 Asn CB . 19137 1 307 . 1 1 76 76 ASN N N 15 115.0 0.1091 . 1 . . . . 342 Asn N . 19137 1 308 . 1 1 77 77 MET H H 1 7.774 0.0437 . 1 . . . . 343 Met HN . 19137 1 309 . 1 1 77 77 MET HA H 1 4.275 0.0000 . 1 . . . . 343 Met HA . 19137 1 310 . 1 1 77 77 MET C C 13 174.1 0.0000 . 1 . . . . 343 Met C . 19137 1 311 . 1 1 77 77 MET CA C 13 55.07 0.0411 . 1 . . . . 343 Met CA . 19137 1 312 . 1 1 77 77 MET CB C 13 29.73 0.0555 . 1 . . . . 343 Met CB . 19137 1 313 . 1 1 77 77 MET N N 15 120.2 0.1050 . 1 . . . . 343 Met N . 19137 1 314 . 1 1 78 78 ASN H H 1 7.200 0.0483 . 1 . . . . 344 Asn HN . 19137 1 315 . 1 1 78 78 ASN HA H 1 4.690 0.0053 . 1 . . . . 344 Asn HA . 19137 1 316 . 1 1 78 78 ASN C C 13 175.0 0.0000 . 1 . . . . 344 Asn C . 19137 1 317 . 1 1 78 78 ASN CA C 13 51.47 0.1372 . 1 . . . . 344 Asn CA . 19137 1 318 . 1 1 78 78 ASN CB C 13 39.69 0.0742 . 1 . . . . 344 Asn CB . 19137 1 319 . 1 1 78 78 ASN N N 15 120.1 0.1161 . 1 . . . . 344 Asn N . 19137 1 320 . 1 1 79 79 TYR H H 1 9.514 0.0424 . 1 . . . . 345 Tyr HN . 19137 1 321 . 1 1 79 79 TYR HA H 1 3.996 . . 1 . . . . 345 Tyr HA . 19137 1 322 . 1 1 79 79 TYR C C 13 176.3 0.7705 . 1 . . . . 345 Tyr C . 19137 1 323 . 1 1 79 79 TYR CA C 13 62.43 0.0741 . 1 . . . . 345 Tyr CA . 19137 1 324 . 1 1 79 79 TYR CB C 13 37.54 0.0331 . 1 . . . . 345 Tyr CB . 19137 1 325 . 1 1 79 79 TYR N N 15 120.7 0.0811 . 1 . . . . 345 Tyr N . 19137 1 326 . 1 1 80 80 ASP H H 1 8.258 0.0415 . 1 . . . . 346 Asp HN . 19137 1 327 . 1 1 80 80 ASP C C 13 178.6 0.0000 . 1 . . . . 346 Asp C . 19137 1 328 . 1 1 80 80 ASP CA C 13 58.08 0.0872 . 1 . . . . 346 Asp CA . 19137 1 329 . 1 1 80 80 ASP CB C 13 40.43 0.0594 . 1 . . . . 346 Asp CB . 19137 1 330 . 1 1 80 80 ASP N N 15 122. 0.1069 . 1 . . . . 346 Asp N . 19137 1 331 . 1 1 81 81 LYS H H 1 8.133 0.0409 . 1 . . . . 347 Lys HN . 19137 1 332 . 1 1 81 81 LYS HA H 1 3.808 0.0000 . 1 . . . . 347 Lys HA . 19137 1 333 . 1 1 81 81 LYS C C 13 179.8 0.0000 . 1 . . . . 347 Lys C . 19137 1 334 . 1 1 81 81 LYS CA C 13 59.52 0.0748 . 1 . . . . 347 Lys CA . 19137 1 335 . 1 1 81 81 LYS CB C 13 33.54 0.0767 . 1 . . . . 347 Lys CB . 19137 1 336 . 1 1 81 81 LYS N N 15 118.5 0.0862 . 1 . . . . 347 Lys N . 19137 1 337 . 1 1 82 82 LEU H H 1 8.169 0.0403 . 1 . . . . 348 Leu HN . 19137 1 338 . 1 1 82 82 LEU HA H 1 3.764 0.0083 . 1 . . . . 348 Leu HA . 19137 1 339 . 1 1 82 82 LEU C C 13 178.0 0.0000 . 1 . . . . 348 Leu C . 19137 1 340 . 1 1 82 82 LEU CA C 13 59.12 0.0781 . 1 . . . . 348 Leu CA . 19137 1 341 . 1 1 82 82 LEU CB C 13 42.83 0.1028 . 1 . . . . 348 Leu CB . 19137 1 342 . 1 1 82 82 LEU N N 15 123.6 0.0944 . 1 . . . . 348 Leu N . 19137 1 343 . 1 1 83 83 SER H H 1 8.688 0.0425 . 1 . . . . 349 Ser HN . 19137 1 344 . 1 1 83 83 SER HA H 1 3.647 0.0154 . 1 . . . . 349 Ser HA . 19137 1 345 . 1 1 83 83 SER C C 13 177.5 0.0000 . 1 . . . . 349 Ser C . 19137 1 346 . 1 1 83 83 SER CA C 13 61.51 0.2314 . 1 . . . . 349 Ser CA . 19137 1 347 . 1 1 83 83 SER CB C 13 62.06 0.0760 . 1 . . . . 349 Ser CB . 19137 1 348 . 1 1 83 83 SER N N 15 113.6 0.1280 . 1 . . . . 349 Ser N . 19137 1 349 . 1 1 84 84 ARG H H 1 7.382 0.0508 . 1 . . . . 350 Arg HN . 19137 1 350 . 1 1 84 84 ARG HA H 1 3.831 0.0000 . 1 . . . . 350 Arg HA . 19137 1 351 . 1 1 84 84 ARG C C 13 178.6 0.0000 . 1 . . . . 350 Arg C . 19137 1 352 . 1 1 84 84 ARG CA C 13 59.33 0.0523 . 1 . . . . 350 Arg CA . 19137 1 353 . 1 1 84 84 ARG CB C 13 29.79 0.0216 . 1 . . . . 350 Arg CB . 19137 1 354 . 1 1 84 84 ARG N N 15 122.3 0.0947 . 1 . . . . 350 Arg N . 19137 1 355 . 1 1 85 85 ALA H H 1 7.432 0.0424 . 1 . . . . 351 Ala HN . 19137 1 356 . 1 1 85 85 ALA HA H 1 3.974 0.0010 . 1 . . . . 351 Ala HA . 19137 1 357 . 1 1 85 85 ALA C C 13 180.2 0.0000 . 1 . . . . 351 Ala C . 19137 1 358 . 1 1 85 85 ALA CA C 13 54.30 0.0512 . 1 . . . . 351 Ala CA . 19137 1 359 . 1 1 85 85 ALA CB C 13 17.84 0.0807 . 1 . . . . 351 Ala CB . 19137 1 360 . 1 1 85 85 ALA N N 15 122.7 0.0665 . 1 . . . . 351 Ala N . 19137 1 361 . 1 1 86 86 LEU H H 1 7.615 0.0438 . 1 . . . . 352 Leu HN . 19137 1 362 . 1 1 86 86 LEU HA H 1 3.752 0.0000 . 1 . . . . 352 Leu HA . 19137 1 363 . 1 1 86 86 LEU C C 13 177.9 0.0000 . 1 . . . . 352 Leu C . 19137 1 364 . 1 1 86 86 LEU CA C 13 56.92 0.0370 . 1 . . . . 352 Leu CA . 19137 1 365 . 1 1 86 86 LEU CB C 13 40.68 0.0672 . 1 . . . . 352 Leu CB . 19137 1 366 . 1 1 86 86 LEU N N 15 116.6 0.1656 . 1 . . . . 352 Leu N . 19137 1 367 . 1 1 87 87 ARG H H 1 6.868 0.0486 . 1 . . . . 353 Arg HN . 19137 1 368 . 1 1 87 87 ARG HA H 1 2.633 . . 1 . . . . 353 Arg HA . 19137 1 369 . 1 1 87 87 ARG C C 13 178.5 0.0000 . 1 . . . . 353 Arg C . 19137 1 370 . 1 1 87 87 ARG CA C 13 57.72 0.0457 . 1 . . . . 353 Arg CA . 19137 1 371 . 1 1 87 87 ARG CB C 13 29.42 0.0479 . 1 . . . . 353 Arg CB . 19137 1 372 . 1 1 87 87 ARG N N 15 114.8 0.0737 . 1 . . . . 353 Arg N . 19137 1 373 . 1 1 88 88 TYR H H 1 6.825 0.0489 . 1 . . . . 354 Tyr HN . 19137 1 374 . 1 1 88 88 TYR HA H 1 4.008 0.0095 . 1 . . . . 354 Tyr HA . 19137 1 375 . 1 1 88 88 TYR C C 13 176.5 0.0000 . 1 . . . . 354 Tyr C . 19137 1 376 . 1 1 88 88 TYR CA C 13 60.04 0.0750 . 1 . . . . 354 Tyr CA . 19137 1 377 . 1 1 88 88 TYR CB C 13 38.36 0.1137 . 1 . . . . 354 Tyr CB . 19137 1 378 . 1 1 88 88 TYR N N 15 117.6 0.0642 . 1 . . . . 354 Tyr N . 19137 1 379 . 1 1 89 89 TYR H H 1 7.301 0.0391 . 1 . . . . 355 Tyr HN . 19137 1 380 . 1 1 89 89 TYR HA H 1 4.332 0.0000 . 1 . . . . 355 Tyr HA . 19137 1 381 . 1 1 89 89 TYR C C 13 178.2 0.0000 . 1 . . . . 355 Tyr C . 19137 1 382 . 1 1 89 89 TYR CA C 13 57.61 0.0925 . 1 . . . . 355 Tyr CA . 19137 1 383 . 1 1 89 89 TYR CB C 13 37.51 0.0315 . 1 . . . . 355 Tyr CB . 19137 1 384 . 1 1 89 89 TYR N N 15 113.7 0.0591 . 1 . . . . 355 Tyr N . 19137 1 385 . 1 1 90 90 TYR H H 1 7.418 0.0057 . 1 . . . . 356 Tyr HN . 19137 1 386 . 1 1 90 90 TYR HA H 1 5.246 0.0045 . 1 . . . . 356 Tyr HA . 19137 1 387 . 1 1 90 90 TYR C C 13 179.1 0.0000 . 1 . . . . 356 Tyr C . 19137 1 388 . 1 1 90 90 TYR CA C 13 57.29 0.1008 . 1 . . . . 356 Tyr CA . 19137 1 389 . 1 1 90 90 TYR CB C 13 36.17 3.6619 . 1 . . . . 356 Tyr CB . 19137 1 390 . 1 1 90 90 TYR N N 15 119.5 0.0612 . 1 . . . . 356 Tyr N . 19137 1 391 . 1 1 91 91 ASP H H 1 7.906 0.0409 . 1 . . . . 357 Asp HN . 19137 1 392 . 1 1 91 91 ASP HA H 1 4.617 0.0000 . 1 . . . . 357 Asp HA . 19137 1 393 . 1 1 91 91 ASP C C 13 176.9 0.0000 . 1 . . . . 357 Asp C . 19137 1 394 . 1 1 91 91 ASP CA C 13 54.60 0.0788 . 1 . . . . 357 Asp CA . 19137 1 395 . 1 1 91 91 ASP CB C 13 40.04 0.0762 . 1 . . . . 357 Asp CB . 19137 1 396 . 1 1 91 91 ASP N N 15 117.3 0.0943 . 1 . . . . 357 Asp N . 19137 1 397 . 1 1 92 92 LYS H H 1 7.075 0.0489 . 1 . . . . 358 Lys HN . 19137 1 398 . 1 1 92 92 LYS HA H 1 4.324 . . 1 . . . . 358 Lys HA . 19137 1 399 . 1 1 92 92 LYS C C 13 175.2 0.0000 . 1 . . . . 358 Lys C . 19137 1 400 . 1 1 92 92 LYS CA C 13 54.51 0.0355 . 1 . . . . 358 Lys CA . 19137 1 401 . 1 1 92 92 LYS CB C 13 32.79 0.0332 . 1 . . . . 358 Lys CB . 19137 1 402 . 1 1 92 92 LYS N N 15 115.9 0.1076 . 1 . . . . 358 Lys N . 19137 1 403 . 1 1 93 93 ASN H H 1 7.935 0.0426 . 1 . . . . 359 Asn HN . 19137 1 404 . 1 1 93 93 ASN HA H 1 4.204 0.0050 . 1 . . . . 359 Asn HA . 19137 1 405 . 1 1 93 93 ASN C C 13 172.4 0.0000 . 1 . . . . 359 Asn C . 19137 1 406 . 1 1 93 93 ASN CA C 13 54.70 0.0812 . 1 . . . . 359 Asn CA . 19137 1 407 . 1 1 93 93 ASN CB C 13 36.70 0.0791 . 1 . . . . 359 Asn CB . 19137 1 408 . 1 1 93 93 ASN N N 15 114.1 0.0953 . 1 . . . . 359 Asn N . 19137 1 409 . 1 1 94 94 ILE H H 1 7.148 0.0717 . 1 . . . . 360 Ile HN . 19137 1 410 . 1 1 94 94 ILE HA H 1 3.877 . . 1 . . . . 360 Ile HA . 19137 1 411 . 1 1 94 94 ILE C C 13 174.9 0.0000 . 1 . . . . 360 Ile C . 19137 1 412 . 1 1 94 94 ILE CA C 13 54.75 0.1297 . 1 . . . . 360 Ile CA . 19137 1 413 . 1 1 94 94 ILE CB C 13 40.53 . . 1 . . . . 360 Ile CB . 19137 1 414 . 1 1 94 94 ILE N N 15 112.5 0.0320 . 1 . . . . 360 Ile N . 19137 1 415 . 1 1 95 95 MET H H 1 6.921 0.0563 . 1 . . . . 361 Met HN . 19137 1 416 . 1 1 95 95 MET HA H 1 5.144 . . 1 . . . . 361 Met HA . 19137 1 417 . 1 1 95 95 MET C C 13 173.4 0.0000 . 1 . . . . 361 Met C . 19137 1 418 . 1 1 95 95 MET CA C 13 54.13 0.0411 . 1 . . . . 361 Met CA . 19137 1 419 . 1 1 95 95 MET CB C 13 37.22 0.0159 . 1 . . . . 361 Met CB . 19137 1 420 . 1 1 95 95 MET N N 15 112.8 0.0711 . 1 . . . . 361 Met N . 19137 1 421 . 1 1 96 96 THR H H 1 8.227 0.0492 . 1 . . . . 362 Thr HN . 19137 1 422 . 1 1 96 96 THR HA H 1 4.348 0.0020 . 1 . . . . 362 Thr HA . 19137 1 423 . 1 1 96 96 THR C C 13 172.8 0.0000 . 1 . . . . 362 Thr C . 19137 1 424 . 1 1 96 96 THR CA C 13 59.66 0.0460 . 1 . . . . 362 Thr CA . 19137 1 425 . 1 1 96 96 THR CB C 13 71.75 0.1074 . 1 . . . . 362 Thr CB . 19137 1 426 . 1 1 96 96 THR N N 15 110.1 0.0982 . 1 . . . . 362 Thr N . 19137 1 427 . 1 1 97 97 LYS H H 1 7.830 0.0476 . 1 . . . . 363 Lys HN . 19137 1 428 . 1 1 97 97 LYS HA H 1 3.936 0.0000 . 1 . . . . 363 Lys HA . 19137 1 429 . 1 1 97 97 LYS C C 13 176.2 0.0000 . 1 . . . . 363 Lys C . 19137 1 430 . 1 1 97 97 LYS CA C 13 55.87 0.0245 . 1 . . . . 363 Lys CA . 19137 1 431 . 1 1 97 97 LYS CB C 13 33.26 0.0882 . 1 . . . . 363 Lys CB . 19137 1 432 . 1 1 97 97 LYS N N 15 123. 0.0912 . 1 . . . . 363 Lys N . 19137 1 433 . 1 1 98 98 VAL H H 1 7.392 0.0478 . 1 . . . . 364 Val HN . 19137 1 434 . 1 1 98 98 VAL HA H 1 3.596 0.0104 . 1 . . . . 364 Val HA . 19137 1 435 . 1 1 98 98 VAL C C 13 175.5 0.0000 . 1 . . . . 364 Val C . 19137 1 436 . 1 1 98 98 VAL CA C 13 62.24 0.0942 . 1 . . . . 364 Val CA . 19137 1 437 . 1 1 98 98 VAL CB C 13 31.04 0.0682 . 1 . . . . 364 Val CB . 19137 1 438 . 1 1 98 98 VAL N N 15 127.7 0.1164 . 1 . . . . 364 Val N . 19137 1 439 . 1 1 99 99 HIS H H 1 8.377 0.0719 . 1 . . . . 365 His HN . 19137 1 440 . 1 1 99 99 HIS HA H 1 4.195 . . 1 . . . . 365 His HA . 19137 1 441 . 1 1 99 99 HIS CA C 13 57.19 0.4314 . 1 . . . . 365 His CA . 19137 1 442 . 1 1 99 99 HIS CB C 13 29.03 0.0005 . 1 . . . . 365 His CB . 19137 1 443 . 1 1 99 99 HIS N N 15 127.3 0.5620 . 1 . . . . 365 His N . 19137 1 444 . 1 1 100 100 GLY H H 1 8.591 0.0649 . 1 . . . . 366 Gly HN . 19137 1 445 . 1 1 100 100 GLY C C 13 173.1 0.0000 . 1 . . . . 366 Gly C . 19137 1 446 . 1 1 100 100 GLY CA C 13 45.16 0.0184 . 1 . . . . 366 Gly CA . 19137 1 447 . 1 1 100 100 GLY N N 15 112. 0.0806 . 1 . . . . 366 Gly N . 19137 1 448 . 1 1 101 101 LYS H H 1 6.954 0.0437 . 1 . . . . 367 Lys HN . 19137 1 449 . 1 1 101 101 LYS HA H 1 4.424 0.0000 . 1 . . . . 367 Lys HA . 19137 1 450 . 1 1 101 101 LYS C C 13 174.9 . . 1 . . . . 367 Lys C . 19137 1 451 . 1 1 101 101 LYS CA C 13 54.30 0.0905 . 1 . . . . 367 Lys CA . 19137 1 452 . 1 1 101 101 LYS CB C 13 35.97 0.0644 . 1 . . . . 367 Lys CB . 19137 1 453 . 1 1 101 101 LYS N N 15 118.3 0.0607 . 1 . . . . 367 Lys N . 19137 1 454 . 1 1 102 102 ARG H H 1 8.246 0.0632 . 1 . . . . 368 Arg HN . 19137 1 455 . 1 1 102 102 ARG HA H 1 3.886 . . 1 . . . . 368 Arg HA . 19137 1 456 . 1 1 102 102 ARG C C 13 176.6 0.0000 . 1 . . . . 368 Arg C . 19137 1 457 . 1 1 102 102 ARG CA C 13 56.77 0.1407 . 1 . . . . 368 Arg CA . 19137 1 458 . 1 1 102 102 ARG CB C 13 30.73 0.0335 . 1 . . . . 368 Arg CB . 19137 1 459 . 1 1 102 102 ARG N N 15 122.0 0.0899 . 1 . . . . 368 Arg N . 19137 1 460 . 1 1 103 103 TYR H H 1 8.416 0.0478 . 1 . . . . 369 Tyr HN . 19137 1 461 . 1 1 103 103 TYR HA H 1 4.310 . . 1 . . . . 369 Tyr HA . 19137 1 462 . 1 1 103 103 TYR C C 13 173.2 0.0000 . 1 . . . . 369 Tyr C . 19137 1 463 . 1 1 103 103 TYR CA C 13 56.84 0.0887 . 1 . . . . 369 Tyr CA . 19137 1 464 . 1 1 103 103 TYR CB C 13 37.22 0.0241 . 1 . . . . 369 Tyr CB . 19137 1 465 . 1 1 103 103 TYR N N 15 116.6 0.3151 . 1 . . . . 369 Tyr N . 19137 1 466 . 1 1 104 104 ALA H H 1 7.112 0.0500 . 1 . . . . 370 Ala HN . 19137 1 467 . 1 1 104 104 ALA HA H 1 5.132 0.0019 . 1 . . . . 370 Ala HA . 19137 1 468 . 1 1 104 104 ALA C C 13 175.5 0.0000 . 1 . . . . 370 Ala C . 19137 1 469 . 1 1 104 104 ALA CA C 13 50.50 0.0995 . 1 . . . . 370 Ala CA . 19137 1 470 . 1 1 104 104 ALA CB C 13 22.26 0.0717 . 1 . . . . 370 Ala CB . 19137 1 471 . 1 1 104 104 ALA N N 15 119.9 0.0800 . 1 . . . . 370 Ala N . 19137 1 472 . 1 1 105 105 TYR H H 1 7.866 0.0649 . 1 . . . . 371 Tyr HN . 19137 1 473 . 1 1 105 105 TYR HA H 1 4.557 . . 1 . . . . 371 Tyr HA . 19137 1 474 . 1 1 105 105 TYR C C 13 172.5 0.0000 . 1 . . . . 371 Tyr C . 19137 1 475 . 1 1 105 105 TYR CA C 13 55.95 0.0551 . 1 . . . . 371 Tyr CA . 19137 1 476 . 1 1 105 105 TYR CB C 13 43.50 0.0872 . 1 . . . . 371 Tyr CB . 19137 1 477 . 1 1 105 105 TYR N N 15 120.9 0.1033 . 1 . . . . 371 Tyr N . 19137 1 478 . 1 1 106 106 LYS H H 1 8.691 0.0424 . 1 . . . . 372 Lys HN . 19137 1 479 . 1 1 106 106 LYS HA H 1 4.919 0.0074 . 1 . . . . 372 Lys HA . 19137 1 480 . 1 1 106 106 LYS C C 13 177.1 0.0000 . 1 . . . . 372 Lys C . 19137 1 481 . 1 1 106 106 LYS CA C 13 54.94 0.0757 . 1 . . . . 372 Lys CA . 19137 1 482 . 1 1 106 106 LYS CB C 13 35.83 0.0997 . 1 . . . . 372 Lys CB . 19137 1 483 . 1 1 106 106 LYS N N 15 118.8 0.0695 . 1 . . . . 372 Lys N . 19137 1 484 . 1 1 107 107 PHE H H 1 8.369 0.0456 . 1 . . . . 373 Phe HN . 19137 1 485 . 1 1 107 107 PHE HA H 1 4.603 . . 1 . . . . 373 Phe HA . 19137 1 486 . 1 1 107 107 PHE C C 13 174.7 0.0000 . 1 . . . . 373 Phe C . 19137 1 487 . 1 1 107 107 PHE CA C 13 59.67 0.0401 . 1 . . . . 373 Phe CA . 19137 1 488 . 1 1 107 107 PHE CB C 13 41.27 0.0170 . 1 . . . . 373 Phe CB . 19137 1 489 . 1 1 107 107 PHE N N 15 125.9 0.0967 . 1 . . . . 373 Phe N . 19137 1 490 . 1 1 108 108 ASP H H 1 7.936 0.0461 . 1 . . . . 374 Asp HN . 19137 1 491 . 1 1 108 108 ASP HA H 1 4.623 . . 1 . . . . 374 Asp HA . 19137 1 492 . 1 1 108 108 ASP CA C 13 51.71 0.0990 . 1 . . . . 374 Asp CA . 19137 1 493 . 1 1 108 108 ASP CB C 13 40.05 0.0000 . 1 . . . . 374 Asp CB . 19137 1 494 . 1 1 108 108 ASP N N 15 121.1 0.0794 . 1 . . . . 374 Asp N . 19137 1 495 . 1 1 112 112 ILE HA H 1 3.239 . . 1 . . . . 378 Ile HA . 19137 1 496 . 1 1 112 112 ILE C C 13 176.9 0.0000 . 1 . . . . 378 Ile C . 19137 1 497 . 1 1 112 112 ILE CA C 13 65.13 0.0969 . 1 . . . . 378 Ile CA . 19137 1 498 . 1 1 112 112 ILE CB C 13 38.32 . . 1 . . . . 378 Ile CB . 19137 1 499 . 1 1 113 113 ALA H H 1 7.475 0.0534 . 1 . . . . 379 Ala HN . 19137 1 500 . 1 1 113 113 ALA HA H 1 3.912 0.0362 . 1 . . . . 379 Ala HA . 19137 1 501 . 1 1 113 113 ALA C C 13 180.4 0.0000 . 1 . . . . 379 Ala C . 19137 1 502 . 1 1 113 113 ALA CA C 13 54.90 0.2768 . 1 . . . . 379 Ala CA . 19137 1 503 . 1 1 113 113 ALA CB C 13 17.75 0.1275 . 1 . . . . 379 Ala CB . 19137 1 504 . 1 1 113 113 ALA N N 15 120.3 0.0962 . 1 . . . . 379 Ala N . 19137 1 505 . 1 1 114 114 GLN H H 1 7.591 0.0046 . 1 . . . . 380 Gln HN . 19137 1 506 . 1 1 114 114 GLN HA H 1 3.948 . . 1 . . . . 380 Gln HA . 19137 1 507 . 1 1 114 114 GLN C C 13 177.6 0.0000 . 1 . . . . 380 Gln C . 19137 1 508 . 1 1 114 114 GLN CA C 13 57.54 0.1863 . 1 . . . . 380 Gln CA . 19137 1 509 . 1 1 114 114 GLN CB C 13 28.52 0.0000 . 1 . . . . 380 Gln CB . 19137 1 510 . 1 1 114 114 GLN N N 15 115.4 0.1021 . 1 . . . . 380 Gln N . 19137 1 511 . 1 1 115 115 ALA H H 1 7.620 0.0434 . 1 . . . . 381 Ala HN . 19137 1 512 . 1 1 115 115 ALA HA H 1 4.138 0.0000 . 1 . . . . 381 Ala HA . 19137 1 513 . 1 1 115 115 ALA C C 13 178.8 0.0000 . 1 . . . . 381 Ala C . 19137 1 514 . 1 1 115 115 ALA CA C 13 53.64 0.1051 . 1 . . . . 381 Ala CA . 19137 1 515 . 1 1 115 115 ALA CB C 13 18.14 0.1368 . 1 . . . . 381 Ala CB . 19137 1 516 . 1 1 115 115 ALA N N 15 121.6 0.1454 . 1 . . . . 381 Ala N . 19137 1 517 . 1 1 116 116 LEU H H 1 7.475 0.0490 . 1 . . . . 382 Leu HN . 19137 1 518 . 1 1 116 116 LEU HA H 1 4.267 . . 1 . . . . 382 Leu HA . 19137 1 519 . 1 1 116 116 LEU C C 13 177.2 . . 1 . . . . 382 Leu C . 19137 1 520 . 1 1 116 116 LEU CA C 13 55.03 0.0744 . 1 . . . . 382 Leu CA . 19137 1 521 . 1 1 116 116 LEU CB C 13 42.42 0.1335 . 1 . . . . 382 Leu CB . 19137 1 522 . 1 1 116 116 LEU N N 15 117.2 0.0901 . 1 . . . . 382 Leu N . 19137 1 523 . 1 1 117 117 GLN H H 1 7.490 . . 1 . . . . 383 Gln HN . 19137 1 524 . 1 1 117 117 GLN CA C 13 53.77 0.0510 . 1 . . . . 383 Gln CA . 19137 1 525 . 1 1 117 117 GLN CB C 13 28.65 0.0155 . 1 . . . . 383 Gln CB . 19137 1 526 . 1 1 117 117 GLN N N 15 120.2 . . 1 . . . . 383 Gln N . 19137 1 527 . 1 1 118 118 PRO C C 13 176.6 . . 1 . . . . 384 Pro C . 19137 1 528 . 1 1 118 118 PRO CA C 13 63.10 0.0000 . 1 . . . . 384 Pro CA . 19137 1 529 . 1 1 118 118 PRO CB C 13 31.88 0.0000 . 1 . . . . 384 Pro CB . 19137 1 530 . 1 1 119 119 HIS H H 1 8.318 0.0033 . 1 . . . . 385 His HN . 19137 1 531 . 1 1 119 119 HIS HA H 1 4.883 . . 1 . . . . 385 His HA . 19137 1 532 . 1 1 119 119 HIS C C 13 172.2 . . 1 . . . . 385 His C . 19137 1 533 . 1 1 119 119 HIS CA C 13 53.07 0.0000 . 1 . . . . 385 His CA . 19137 1 534 . 1 1 119 119 HIS CB C 13 28.70 0.0000 . 1 . . . . 385 His CB . 19137 1 535 . 1 1 119 119 HIS N N 15 119.2 0.0410 . 1 . . . . 385 His N . 19137 1 536 . 1 1 121 121 PRO HA H 1 4.353 . . 1 . . . . 387 Pro HA . 19137 1 537 . 1 1 121 121 PRO C C 13 176.1 0.0000 . 1 . . . . 387 Pro C . 19137 1 538 . 1 1 121 121 PRO CA C 13 63.18 0.0895 . 1 . . . . 387 Pro CA . 19137 1 539 . 1 1 122 122 GLU H H 1 7.855 0.0149 . 1 . . . . 388 Glu HN . 19137 1 540 . 1 1 122 122 GLU HA H 1 4.015 0.0022 . 1 . . . . 388 Glu HA . 19137 1 541 . 1 1 122 122 GLU C C 13 181.1 0.0000 . 1 . . . . 388 Glu C . 19137 1 542 . 1 1 122 122 GLU CA C 13 57.74 0.0986 . 1 . . . . 388 Glu CA . 19137 1 543 . 1 1 122 122 GLU N N 15 125.9 0.3700 . 1 . . . . 388 Glu N . 19137 1 stop_ save_