data_25183 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25183 _Entry.Title ; Backbone chemical shift assignment of FG-NUP (274 -398) in buffer condition. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-29 _Entry.Accession_date 2014-08-29 _Entry.Last_release_date 2015-10-08 _Entry.Original_release_date 2015-10-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Kaushik Dutta . . . . 25183 2 David Cowburn . . . . 25183 3 Michael Rout . . . . 25183 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Biology Center' . 25183 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25183 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 361 25183 '15N chemical shifts' 113 25183 '1H chemical shifts' 113 25183 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 . . 2015-10-08 . original BMRB . 25183 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25182 FSFG-K 25183 BMRB 25184 FG-N 25183 BMRB 25185 FG-N-6His 25183 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25183 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Atomic Scale Dynamic Behavior of the Nuclear Transport Selectivity Barrier ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Loren Hough . . . . 25183 1 2 Kaushik Dutta . . . . 25183 1 3 Sam Sparks . . . . 25183 1 4 Deniz Temel . B. . . 25183 1 5 Alia Kamal . . . . 25183 1 6 Jaclyn Tetenbaum-Novatt . . . . 25183 1 7 Michael Rout . . . . 25183 1 8 David Cowburn . . . . 25183 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'In cell NMR' 25183 1 'Nuclear Pore Complexes' 25183 1 'Transport factor' 25183 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25183 _Assembly.ID 1 _Assembly.Name FSFG-K-6His _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25183 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25183 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FSFG-K-6His _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 ; MDNKTTNTTPSFSFGAKSDE NKAGATSKPAFSFGAKPEEK KDDNSSKPAFSFGAKSNEDK QDGTAKPAFSFGAKPAEKNN NETSKPAFSFGAKSDEKKDG DASKPAFSFGAKPDENKASA TSKPALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'first residue M and LEHHHHHH are from the tag. Actual sequence starts from D274-A397.' _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transport Factor' 25183 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 . MET . 25183 1 2 274 ASP . 25183 1 3 275 ASN . 25183 1 4 276 LYS . 25183 1 5 277 THR . 25183 1 6 278 THR . 25183 1 7 279 ASN . 25183 1 8 280 THR . 25183 1 9 281 THR . 25183 1 10 282 PRO . 25183 1 11 283 SER . 25183 1 12 284 PHE . 25183 1 13 285 SER . 25183 1 14 286 PHE . 25183 1 15 287 GLY . 25183 1 16 288 ALA . 25183 1 17 289 LYS . 25183 1 18 290 SER . 25183 1 19 291 ASP . 25183 1 20 292 GLU . 25183 1 21 293 ASN . 25183 1 22 294 LYS . 25183 1 23 295 ALA . 25183 1 24 296 GLY . 25183 1 25 297 ALA . 25183 1 26 298 THR . 25183 1 27 299 SER . 25183 1 28 300 LYS . 25183 1 29 301 PRO . 25183 1 30 302 ALA . 25183 1 31 303 PHE . 25183 1 32 304 SER . 25183 1 33 305 PHE . 25183 1 34 306 GLY . 25183 1 35 307 ALA . 25183 1 36 308 LYS . 25183 1 37 309 PRO . 25183 1 38 310 GLU . 25183 1 39 311 GLU . 25183 1 40 312 LYS . 25183 1 41 313 LYS . 25183 1 42 314 ASP . 25183 1 43 315 ASP . 25183 1 44 316 ASN . 25183 1 45 317 SER . 25183 1 46 318 SER . 25183 1 47 319 LYS . 25183 1 48 320 PRO . 25183 1 49 321 ALA . 25183 1 50 322 PHE . 25183 1 51 323 SER . 25183 1 52 324 PHE . 25183 1 53 325 GLY . 25183 1 54 326 ALA . 25183 1 55 327 LYS . 25183 1 56 328 SER . 25183 1 57 329 ASN . 25183 1 58 330 GLU . 25183 1 59 331 ASP . 25183 1 60 332 LYS . 25183 1 61 333 GLN . 25183 1 62 334 ASP . 25183 1 63 335 GLY . 25183 1 64 336 THR . 25183 1 65 337 ALA . 25183 1 66 338 LYS . 25183 1 67 339 PRO . 25183 1 68 340 ALA . 25183 1 69 341 PHE . 25183 1 70 342 SER . 25183 1 71 343 PHE . 25183 1 72 344 GLY . 25183 1 73 345 ALA . 25183 1 74 346 LYS . 25183 1 75 347 PRO . 25183 1 76 348 ALA . 25183 1 77 349 GLU . 25183 1 78 350 LYS . 25183 1 79 351 ASN . 25183 1 80 352 ASN . 25183 1 81 353 ASN . 25183 1 82 354 GLU . 25183 1 83 355 THR . 25183 1 84 356 SER . 25183 1 85 357 LYS . 25183 1 86 358 PRO . 25183 1 87 359 ALA . 25183 1 88 360 PHE . 25183 1 89 361 SER . 25183 1 90 362 PHE . 25183 1 91 363 GLY . 25183 1 92 364 ALA . 25183 1 93 365 LYS . 25183 1 94 366 SER . 25183 1 95 367 ASP . 25183 1 96 368 GLU . 25183 1 97 369 LYS . 25183 1 98 370 LYS . 25183 1 99 371 ASP . 25183 1 100 372 GLY . 25183 1 101 373 ASP . 25183 1 102 374 ALA . 25183 1 103 375 SER . 25183 1 104 376 LYS . 25183 1 105 377 PRO . 25183 1 106 378 ALA . 25183 1 107 379 PHE . 25183 1 108 380 SER . 25183 1 109 381 PHE . 25183 1 110 382 GLY . 25183 1 111 383 ALA . 25183 1 112 384 LYS . 25183 1 113 385 PRO . 25183 1 114 386 ASP . 25183 1 115 387 GLU . 25183 1 116 388 ASN . 25183 1 117 389 LYS . 25183 1 118 390 ALA . 25183 1 119 391 SER . 25183 1 120 392 ALA . 25183 1 121 393 THR . 25183 1 122 394 SER . 25183 1 123 395 LYS . 25183 1 124 396 PRO . 25183 1 125 397 ALA . 25183 1 126 . LEU . 25183 1 127 . GLU . 25183 1 128 . HIS . 25183 1 129 . HIS . 25183 1 130 . HIS . 25183 1 131 . HIS . 25183 1 132 . HIS . 25183 1 133 . HIS . 25183 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 25183 1 . ASP 2 2 25183 1 . ASN 3 3 25183 1 . LYS 4 4 25183 1 . THR 5 5 25183 1 . THR 6 6 25183 1 . ASN 7 7 25183 1 . THR 8 8 25183 1 . THR 9 9 25183 1 . PRO 10 10 25183 1 . SER 11 11 25183 1 . PHE 12 12 25183 1 . SER 13 13 25183 1 . PHE 14 14 25183 1 . GLY 15 15 25183 1 . ALA 16 16 25183 1 . LYS 17 17 25183 1 . SER 18 18 25183 1 . ASP 19 19 25183 1 . GLU 20 20 25183 1 . ASN 21 21 25183 1 . LYS 22 22 25183 1 . ALA 23 23 25183 1 . GLY 24 24 25183 1 . ALA 25 25 25183 1 . THR 26 26 25183 1 . SER 27 27 25183 1 . LYS 28 28 25183 1 . PRO 29 29 25183 1 . ALA 30 30 25183 1 . PHE 31 31 25183 1 . SER 32 32 25183 1 . PHE 33 33 25183 1 . GLY 34 34 25183 1 . ALA 35 35 25183 1 . LYS 36 36 25183 1 . PRO 37 37 25183 1 . GLU 38 38 25183 1 . GLU 39 39 25183 1 . LYS 40 40 25183 1 . LYS 41 41 25183 1 . ASP 42 42 25183 1 . ASP 43 43 25183 1 . ASN 44 44 25183 1 . SER 45 45 25183 1 . SER 46 46 25183 1 . LYS 47 47 25183 1 . PRO 48 48 25183 1 . ALA 49 49 25183 1 . PHE 50 50 25183 1 . SER 51 51 25183 1 . PHE 52 52 25183 1 . GLY 53 53 25183 1 . ALA 54 54 25183 1 . LYS 55 55 25183 1 . SER 56 56 25183 1 . ASN 57 57 25183 1 . GLU 58 58 25183 1 . ASP 59 59 25183 1 . LYS 60 60 25183 1 . GLN 61 61 25183 1 . ASP 62 62 25183 1 . GLY 63 63 25183 1 . THR 64 64 25183 1 . ALA 65 65 25183 1 . LYS 66 66 25183 1 . PRO 67 67 25183 1 . ALA 68 68 25183 1 . PHE 69 69 25183 1 . SER 70 70 25183 1 . PHE 71 71 25183 1 . GLY 72 72 25183 1 . ALA 73 73 25183 1 . LYS 74 74 25183 1 . PRO 75 75 25183 1 . ALA 76 76 25183 1 . GLU 77 77 25183 1 . LYS 78 78 25183 1 . ASN 79 79 25183 1 . ASN 80 80 25183 1 . ASN 81 81 25183 1 . GLU 82 82 25183 1 . THR 83 83 25183 1 . SER 84 84 25183 1 . LYS 85 85 25183 1 . PRO 86 86 25183 1 . ALA 87 87 25183 1 . PHE 88 88 25183 1 . SER 89 89 25183 1 . PHE 90 90 25183 1 . GLY 91 91 25183 1 . ALA 92 92 25183 1 . LYS 93 93 25183 1 . SER 94 94 25183 1 . ASP 95 95 25183 1 . GLU 96 96 25183 1 . LYS 97 97 25183 1 . LYS 98 98 25183 1 . ASP 99 99 25183 1 . GLY 100 100 25183 1 . ASP 101 101 25183 1 . ALA 102 102 25183 1 . SER 103 103 25183 1 . LYS 104 104 25183 1 . PRO 105 105 25183 1 . ALA 106 106 25183 1 . PHE 107 107 25183 1 . SER 108 108 25183 1 . PHE 109 109 25183 1 . GLY 110 110 25183 1 . ALA 111 111 25183 1 . LYS 112 112 25183 1 . PRO 113 113 25183 1 . ASP 114 114 25183 1 . GLU 115 115 25183 1 . ASN 116 116 25183 1 . LYS 117 117 25183 1 . ALA 118 118 25183 1 . SER 119 119 25183 1 . ALA 120 120 25183 1 . THR 121 121 25183 1 . SER 122 122 25183 1 . LYS 123 123 25183 1 . PRO 124 124 25183 1 . ALA 125 125 25183 1 . LEU 126 126 25183 1 . GLU 127 127 25183 1 . HIS 128 128 25183 1 . HIS 129 129 25183 1 . HIS 130 130 25183 1 . HIS 131 131 25183 1 . HIS 132 132 25183 1 . HIS 133 133 25183 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 25183 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 25183 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 25183 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) Gold Cells' . . . . . pET24a . . . 25183 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25183 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR assignment done in buffer: 20mM HEPES, 150mM KCl, 2mM MgCl2; pH 6.5 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FSFG-K-6His '[U-100% 15N]' . . 1 $entity . . 250 . . uM . . . . 25183 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25183 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25183 1 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25183 1 5 KCL 'natural abundance' . . . . . . 150 . . mM . . . . 25183 1 6 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25183 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25183 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NMR assignment done in buffer: 20mM HEPES, 150mM KCl, 2mM MgCl2; pH 6.5 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FSFG-K-6His '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 250 . . uM . . . . 25183 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25183 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25183 2 4 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25183 2 5 KCL 'natural abundance' . . . . . . 150 . . mM . . . . 25183 2 6 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25183 2 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 25183 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20mM HEPES, 150mM KCl, 2mM MgCl2; pH 6.5' 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' 150 . mM 25183 1 pH 6.5 . pH 25183 1 pressure 1 . atm 25183 1 temperature 298 . K 25183 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25183 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25183 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 25183 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 25183 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25183 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25183 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25183 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25183 1 2 spectrometer_2 Bruker Avance . 800 . . . 25183 1 3 spectrometer_3 Bruker Avance . 900 . . . 25183 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 25183 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25183 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25183 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . internal indirect 0.251449530 . . . . . 25183 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . 25183 1 N 15 water protons . . . . ppm . internal indirect 0.101329118 . . . . . 25183 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 25183 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.001 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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' . . . 25183 1 2 '3D HNCO' . . . 25183 1 3 '3D CBCA(CO)NH' . . . 25183 1 4 '3D HNCA' . . . 25183 1 5 '3D HNCACB' . . . 25183 1 7 '3D HN(CA)CO' . . . 25183 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 25183 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 175.5138 0.16 . 1 . . 39185 . . 274 ASP C . 25183 1 2 . 1 1 2 2 ASP CA C 13 54.2306 0.16 . 1 . . 31958 . . 274 ASP CA . 25183 1 3 . 1 1 2 2 ASP CB C 13 41.3689 0.16 . 1 . . 31973 . . 274 ASP CB . 25183 1 4 . 1 1 3 3 ASN H H 1 8.5283 0.001 . 1 . . 38677 . . 275 ASN H . 25183 1 5 . 1 1 3 3 ASN C C 13 175.2702 0.16 . 1 . . 38678 . . 275 ASN C . 25183 1 6 . 1 1 3 3 ASN CA C 13 53.4073 0.16 . 1 . . 32285 . . 275 ASN CA . 25183 1 7 . 1 1 3 3 ASN CB C 13 38.7567 0.16 . 1 . . 33278 . . 275 ASN CB . 25183 1 8 . 1 1 3 3 ASN N N 15 119.9597 0.03 . 1 . . 38679 . . 275 ASN N . 25183 1 9 . 1 1 4 4 LYS H H 1 8.3857 0.001 . 1 . . 34774 . . 276 LYS H . 25183 1 10 . 1 1 4 4 LYS C C 13 176.9128 0.16 . 1 . . 39335 . . 276 LYS C . 25183 1 11 . 1 1 4 4 LYS CA C 13 56.6689 0.16 . 1 . . 37661 . . 276 LYS CA . 25183 1 12 . 1 1 4 4 LYS CB C 13 32.8337 0.16 . 1 . . 35081 . . 276 LYS CB . 25183 1 13 . 1 1 4 4 LYS N N 15 121.5021 0.03 . 1 . . 34776 . . 276 LYS N . 25183 1 14 . 1 1 5 5 THR H H 1 8.1980 0.001 . 1 . . 35665 . . 277 THR H . 25183 1 15 . 1 1 5 5 THR C C 13 174.7084 0.16 . 1 . . 39062 . . 277 THR C . 25183 1 16 . 1 1 5 5 THR CA C 13 61.9515 0.16 . 1 . . 37586 . . 277 THR CA . 25183 1 17 . 1 1 5 5 THR CB C 13 69.7863 0.16 . 1 . . 35567 . . 277 THR CB . 25183 1 18 . 1 1 5 5 THR N N 15 115.0254 0.03 . 1 . . 35667 . . 277 THR N . 25183 1 19 . 1 1 6 6 THR H H 1 8.1416 0.001 . 1 . . 32668 . . 278 THR H . 25183 1 20 . 1 1 6 6 THR C C 13 174.1519 0.16 . 1 . . 39197 . . 278 THR C . 25183 1 21 . 1 1 6 6 THR CA C 13 61.8833 0.16 . 1 . . 33167 . . 278 THR CA . 25183 1 22 . 1 1 6 6 THR CB C 13 69.8236 0.16 . 1 . . 35564 . . 278 THR CB . 25183 1 23 . 1 1 6 6 THR N N 15 116.1260 0.03 . 1 . . 32670 . . 278 THR N . 25183 1 24 . 1 1 7 7 ASN H H 1 8.4637 0.001 . 1 . . 31906 . . 279 ASN H . 25183 1 25 . 1 1 7 7 ASN C C 13 175.2375 0.16 . 1 . . 38672 . . 279 ASN C . 25183 1 26 . 1 1 7 7 ASN CA C 13 53.3355 0.16 . 1 . . 37715 . . 279 ASN CA . 25183 1 27 . 1 1 7 7 ASN CB C 13 38.8695 0.16 . 1 . . 33269 . . 279 ASN CB . 25183 1 28 . 1 1 7 7 ASN N N 15 121.4724 0.03 . 1 . . 31908 . . 279 ASN N . 25183 1 29 . 1 1 8 8 THR H H 1 8.1601 0.001 . 1 . . 32938 . . 280 THR H . 25183 1 30 . 1 1 8 8 THR C C 13 174.4506 0.16 . 1 . . 49914 . . 280 THR C . 25183 1 31 . 1 1 8 8 THR CA C 13 61.7054 0.16 . 1 . . 56738 . . 280 THR CA . 25183 1 32 . 1 1 8 8 THR CB C 13 69.7761 0.16 . 1 . . 35576 . . 280 THR CB . 25183 1 33 . 1 1 8 8 THR N N 15 114.4709 0.03 . 1 . . 32940 . . 280 THR N . 25183 1 34 . 1 1 9 9 THR H H 1 8.2091 0.001 . 1 . . 56734 . . 281 THR H . 25183 1 35 . 1 1 9 9 THR C C 13 172.7631 0.16 . 1 . . 56756 . . 281 THR C . 25183 1 36 . 1 1 9 9 THR CA C 13 60.1245 0.16 . 1 . . 56753 . . 281 THR CA . 25183 1 37 . 1 1 9 9 THR CB C 13 69.8055 0.16 . 1 . . 56747 . . 281 THR CB . 25183 1 38 . 1 1 9 9 THR N N 15 119.3761 0.03 . 1 . . 56736 . . 281 THR N . 25183 1 39 . 1 1 10 10 PRO C C 13 176.7138 0.16 . 1 . . 39221 . . 282 PRO C . 25183 1 40 . 1 1 10 10 PRO CA C 13 63.2975 0.16 . 1 . . 32051 . . 282 PRO CA . 25183 1 41 . 1 1 10 10 PRO CB C 13 32.1248 0.16 . 1 . . 32567 . . 282 PRO CB . 25183 1 42 . 1 1 11 11 SER H H 1 8.2827 0.001 . 1 . . 33925 . . 283 SER H . 25183 1 43 . 1 1 11 11 SER C C 13 174.1366 0.16 . 1 . . 55487 . . 283 SER C . 25183 1 44 . 1 1 11 11 SER CA C 13 58.2672 0.16 . 1 . . 32774 . . 283 SER CA . 25183 1 45 . 1 1 11 11 SER CB C 13 63.7955 0.16 . 1 . . 35600 . . 283 SER CB . 25183 1 46 . 1 1 11 11 SER N N 15 115.9279 0.03 . 1 . . 33927 . . 283 SER N . 25183 1 47 . 1 1 12 12 PHE H H 1 8.1455 0.001 . 1 . . 36355 . . 284 PHE H . 25183 1 48 . 1 1 12 12 PHE C C 13 175.4625 0.16 . 1 . . 39056 . . 284 PHE C . 25183 1 49 . 1 1 12 12 PHE CA C 13 57.6932 0.16 . 1 . . 54459 . . 284 PHE CA . 25183 1 50 . 1 1 12 12 PHE CB C 13 39.7201 0.16 . 1 . . 36356 . . 284 PHE CB . 25183 1 51 . 1 1 12 12 PHE N N 15 122.0168 0.03 . 1 . . 36357 . . 284 PHE N . 25183 1 52 . 1 1 13 13 SER H H 1 8.0705 0.001 . 1 . . 54458 . . 285 SER H . 25183 1 53 . 1 1 13 13 SER C C 13 175.4604 0.16 . 1 . . 54471 . . 285 SER C . 25183 1 54 . 1 1 13 13 SER CA C 13 57.8884 0.16 . 1 . . 54468 . . 285 SER CA . 25183 1 55 . 1 1 13 13 SER CB C 13 63.9114 0.16 . 1 . . 54480 . . 285 SER CB . 25183 1 56 . 1 1 13 13 SER N N 15 117.2618 0.03 . 1 . . 54460 . . 285 SER N . 25183 1 57 . 1 1 14 14 PHE H H 1 8.1730 0.001 . 1 . . . . . 286 PHE H . 25183 1 58 . 1 1 14 14 PHE C C 13 176.2020 0.16 . 1 . . . . . 286 PHE C . 25183 1 59 . 1 1 14 14 PHE CA C 13 58.2020 0.16 . 1 . . . . . 286 PHE CA . 25183 1 60 . 1 1 14 14 PHE CB C 13 39.4290 0.16 . 1 . . . . . 286 PHE CB . 25183 1 61 . 1 1 14 14 PHE N N 15 122.4070 0.03 . 1 . . . . . 286 PHE N . 25183 1 62 . 1 1 15 15 GLY H H 1 8.2930 0.001 . 1 . . . . . 287 GLY H . 25183 1 63 . 1 1 15 15 GLY C C 13 173.6640 0.16 . 1 . . . . . 287 GLY C . 25183 1 64 . 1 1 15 15 GLY CA C 13 45.1950 0.16 . 1 . . . . . 287 GLY CA . 25183 1 65 . 1 1 15 15 GLY N N 15 110.6200 0.03 . 1 . . . . . 287 GLY N . 25183 1 66 . 1 1 16 16 ALA H H 1 8.0670 0.001 . 1 . . . . . 288 ALA H . 25183 1 67 . 1 1 16 16 ALA C C 13 177.8127 0.16 . 1 . . 38735 . . 288 ALA C . 25183 1 68 . 1 1 16 16 ALA CA C 13 52.4671 0.16 . 1 . . 32345 . . 288 ALA CA . 25183 1 69 . 1 1 16 16 ALA CB C 13 19.4386 0.16 . 1 . . 32633 . . 288 ALA CB . 25183 1 70 . 1 1 16 16 ALA N N 15 123.9390 0.03 . 1 . . . . . 288 ALA N . 25183 1 71 . 1 1 17 17 LYS H H 1 8.3527 0.001 . 1 . . 34495 . . 289 LYS H . 25183 1 72 . 1 1 17 17 LYS C C 13 176.8004 0.16 . 1 . . 38786 . . 289 LYS C . 25183 1 73 . 1 1 17 17 LYS CA C 13 56.2537 0.16 . 1 . . 37301 . . 289 LYS CA . 25183 1 74 . 1 1 17 17 LYS CB C 13 32.9493 0.16 . 1 . . 35114 . . 289 LYS CB . 25183 1 75 . 1 1 17 17 LYS N N 15 120.9177 0.03 . 1 . . 34497 . . 289 LYS N . 25183 1 76 . 1 1 18 18 SER H H 1 8.3288 0.001 . 1 . . 38785 . . 290 SER H . 25183 1 77 . 1 1 18 18 SER C C 13 174.4140 0.16 . 1 . . 55475 . . 290 SER C . 25183 1 78 . 1 1 18 18 SER CA C 13 58.4593 0.16 . 1 . . 47625 . . 290 SER CA . 25183 1 79 . 1 1 18 18 SER CB C 13 63.8578 0.16 . 1 . . 33455 . . 290 SER CB . 25183 1 80 . 1 1 18 18 SER N N 15 117.1684 0.03 . 1 . . 38787 . . 290 SER N . 25183 1 81 . 1 1 19 19 ASP H H 1 8.3796 0.001 . 1 . . 37276 . . 291 ASP H . 25183 1 82 . 1 1 19 19 ASP C C 13 176.5116 0.16 . 1 . . 42575 . . 291 ASP C . 25183 1 83 . 1 1 19 19 ASP CA C 13 54.4063 0.16 . 1 . . 42569 . . 291 ASP CA . 25183 1 84 . 1 1 19 19 ASP CB C 13 40.9787 0.16 . 1 . . 34796 . . 291 ASP CB . 25183 1 85 . 1 1 19 19 ASP N N 15 122.3972 0.03 . 1 . . 37278 . . 291 ASP N . 25183 1 86 . 1 1 20 20 GLU H H 1 8.3144 0.001 . 1 . . 33850 . . 292 GLU H . 25183 1 87 . 1 1 20 20 GLU C C 13 176.3779 0.16 . 1 . . 55506 . . 292 GLU C . 25183 1 88 . 1 1 20 20 GLU CA C 13 56.9497 0.16 . 1 . . 37016 . . 292 GLU CA . 25183 1 89 . 1 1 20 20 GLU CB C 13 30.2910 0.16 . 1 . . 55505 . . 292 GLU CB . 25183 1 90 . 1 1 20 20 GLU N N 15 121.8322 0.03 . 1 . . 33852 . . 292 GLU N . 25183 1 91 . 1 1 21 21 ASN H H 1 8.4785 0.001 . 1 . . 31951 . . 293 ASN H . 25183 1 92 . 1 1 21 21 ASN C C 13 175.3418 0.16 . 1 . . 39059 . . 293 ASN C . 25183 1 93 . 1 1 21 21 ASN CA C 13 53.4770 0.16 . 1 . . 32816 . . 293 ASN CA . 25183 1 94 . 1 1 21 21 ASN CB C 13 38.7292 0.16 . 1 . . 32927 . . 293 ASN CB . 25183 1 95 . 1 1 21 21 ASN N N 15 119.4913 0.03 . 1 . . 31953 . . 293 ASN N . 25183 1 96 . 1 1 22 22 LYS H H 1 8.1623 0.001 . 1 . . 36133 . . 294 LYS H . 25183 1 97 . 1 1 22 22 LYS C C 13 176.5121 0.16 . 1 . . 39035 . . 294 LYS C . 25183 1 98 . 1 1 22 22 LYS CA C 13 56.5178 0.16 . 1 . . 37655 . . 294 LYS CA . 25183 1 99 . 1 1 22 22 LYS CB C 13 32.8254 0.16 . 1 . . 36428 . . 294 LYS CB . 25183 1 100 . 1 1 22 22 LYS N N 15 121.8990 0.03 . 1 . . 36135 . . 294 LYS N . 25183 1 101 . 1 1 23 23 ALA H H 1 8.2662 0.001 . 1 . . 40647 . . 295 ALA H . 25183 1 102 . 1 1 23 23 ALA C C 13 178.2983 0.16 . 1 . . 38702 . . 295 ALA C . 25183 1 103 . 1 1 23 23 ALA CA C 13 52.8576 0.16 . 1 . . 32366 . . 295 ALA CA . 25183 1 104 . 1 1 23 23 ALA CB C 13 19.0205 0.16 . 1 . . 40666 . . 295 ALA CB . 25183 1 105 . 1 1 23 23 ALA N N 15 124.7175 0.03 . 1 . . 40649 . . 295 ALA N . 25183 1 106 . 1 1 24 24 GLY H H 1 8.2798 0.001 . 1 . . 34627 . . 296 GLY H . 25183 1 107 . 1 1 24 24 GLY C C 13 174.0690 0.16 . 1 . . 39095 . . 296 GLY C . 25183 1 108 . 1 1 24 24 GLY CA C 13 45.2774 0.16 . 1 . . 34625 . . 296 GLY CA . 25183 1 109 . 1 1 24 24 GLY N N 15 108.2534 0.03 . 1 . . 34629 . . 296 GLY N . 25183 1 110 . 1 1 25 25 ALA H H 1 8.1160 0.001 . 1 . . 35950 . . 297 ALA H . 25183 1 111 . 1 1 25 25 ALA C C 13 178.1079 0.16 . 1 . . 39002 . . 297 ALA C . 25183 1 112 . 1 1 25 25 ALA CA C 13 52.7186 0.16 . 1 . . 32855 . . 297 ALA CA . 25183 1 113 . 1 1 25 25 ALA CB C 13 19.3864 0.16 . 1 . . 36512 . . 297 ALA CB . 25183 1 114 . 1 1 25 25 ALA N N 15 123.8174 0.03 . 1 . . 35952 . . 297 ALA N . 25183 1 115 . 1 1 26 26 THR H H 1 8.1393 0.001 . 1 . . 32992 . . 298 THR H . 25183 1 116 . 1 1 26 26 THR C C 13 174.4506 0.16 . 1 . . -1 . . 298 THR C . 25183 1 117 . 1 1 26 26 THR CA C 13 61.7139 0.16 . 1 . . -1 . . 298 THR CA . 25183 1 118 . 1 1 26 26 THR CB C 13 69.8767 0.16 . 1 . . 35576 . . 298 THR CB . 25183 1 119 . 1 1 26 26 THR N N 15 112.8022 0.03 . 1 . . 32994 . . 298 THR N . 25183 1 120 . 1 1 27 27 SER H H 1 8.1670 0.001 . 1 . . -1 . . 299 SER H . 25183 1 121 . 1 1 27 27 SER C C 13 173.9173 0.16 . 1 . . -1 . . 299 SER C . 25183 1 122 . 1 1 27 27 SER CA C 13 58.2754 0.16 . 1 . . -1 . . 299 SER CA . 25183 1 123 . 1 1 27 27 SER CB C 13 63.9183 0.16 . 1 . . . . . 299 SER CB . 25183 1 124 . 1 1 27 27 SER N N 15 118.3499 0.03 . 1 . . -1 . . 299 SER N . 25183 1 125 . 1 1 28 28 LYS H H 1 8.2767 0.001 . 1 . . . . . 300 LYS H . 25183 1 126 . 1 1 28 28 LYS C C 13 174.3090 0.16 . 1 . . . . . 300 LYS C . 25183 1 127 . 1 1 28 28 LYS CA C 13 54.3230 0.16 . 1 . . . . . 300 LYS CA . 25183 1 128 . 1 1 28 28 LYS CB C 13 32.5059 0.16 . 1 . . . . . 300 LYS CB . 25183 1 129 . 1 1 28 28 LYS N N 15 124.2822 0.03 . 1 . . . . . 300 LYS N . 25183 1 130 . 1 1 29 29 PRO C C 13 176.5740 0.16 . 1 . . . . . 301 PRO C . 25183 1 131 . 1 1 29 29 PRO CA C 13 63.1130 0.16 . 1 . . . . . 301 PRO CA . 25183 1 132 . 1 1 29 29 PRO CB C 13 32.0570 0.16 . 1 . . . . . 301 PRO CB . 25183 1 133 . 1 1 30 30 ALA H H 1 8.3530 0.001 . 1 . . . . . 302 ALA H . 25183 1 134 . 1 1 30 30 ALA C C 13 177.3690 0.16 . 1 . . . . . 302 ALA C . 25183 1 135 . 1 1 30 30 ALA CA C 13 52.4860 0.16 . 1 . . . . . 302 ALA CA . 25183 1 136 . 1 1 30 30 ALA CB C 13 19.2100 0.16 . 1 . . . . . 302 ALA CB . 25183 1 137 . 1 1 30 30 ALA N N 15 124.3350 0.03 . 1 . . . . . 302 ALA N . 25183 1 138 . 1 1 31 31 PHE H H 1 8.0570 0.001 . 1 . . . . . 303 PHE H . 25183 1 139 . 1 1 31 31 PHE C C 13 175.4770 0.16 . 1 . . . . . 303 PHE C . 25183 1 140 . 1 1 31 31 PHE CA C 13 57.5290 0.16 . 1 . . . . . 303 PHE CA . 25183 1 141 . 1 1 31 31 PHE CB C 13 39.7390 0.16 . 1 . . . . . 303 PHE CB . 25183 1 142 . 1 1 31 31 PHE N N 15 118.8410 0.03 . 1 . . . . . 303 PHE N . 25183 1 143 . 1 1 32 32 SER H H 1 8.0270 0.001 . 1 . . . . . 304 SER H . 25183 1 144 . 1 1 32 32 SER C C 13 173.8510 0.16 . 1 . . . . . 304 SER C . 25183 1 145 . 1 1 32 32 SER CA C 13 57.8470 0.16 . 1 . . . . . 304 SER CA . 25183 1 146 . 1 1 32 32 SER CB C 13 63.9310 0.16 . 1 . . . . . 304 SER CB . 25183 1 147 . 1 1 32 32 SER N N 15 117.4310 0.03 . 1 . . . . . 304 SER N . 25183 1 148 . 1 1 33 33 PHE H H 1 8.1730 0.001 . 1 . . . . . 305 PHE H . 25183 1 149 . 1 1 33 33 PHE C C 13 176.2020 0.16 . 1 . . . . . 305 PHE C . 25183 1 150 . 1 1 33 33 PHE CA C 13 58.2020 0.16 . 1 . . . . . 305 PHE CA . 25183 1 151 . 1 1 33 33 PHE CB C 13 39.4290 0.16 . 1 . . . . . 305 PHE CB . 25183 1 152 . 1 1 33 33 PHE N N 15 122.4070 0.03 . 1 . . . . . 305 PHE N . 25183 1 153 . 1 1 34 34 GLY H H 1 8.2930 0.001 . 1 . . . . . 306 GLY H . 25183 1 154 . 1 1 34 34 GLY C C 13 173.4771 0.16 . 1 . . 39416 . . 306 GLY C . 25183 1 155 . 1 1 34 34 GLY CA C 13 45.1448 0.16 . 1 . . 37826 . . 306 GLY CA . 25183 1 156 . 1 1 34 34 GLY N N 15 110.6130 0.03 . 1 . . . . . 306 GLY N . 25183 1 157 . 1 1 35 35 ALA H H 1 8.0051 0.001 . 1 . . 36844 . . 307 ALA H . 25183 1 158 . 1 1 35 35 ALA C C 13 177.3958 0.16 . 1 . . 39212 . . 307 ALA C . 25183 1 159 . 1 1 35 35 ALA CA C 13 52.2290 0.16 . 1 . . 32333 . . 307 ALA CA . 25183 1 160 . 1 1 35 35 ALA CB C 13 19.4776 0.16 . 1 . . 35489 . . 307 ALA CB . 25183 1 161 . 1 1 35 35 ALA N N 15 123.7470 0.03 . 1 . . 36846 . . 307 ALA N . 25183 1 162 . 1 1 36 36 LYS H H 1 8.2872 0.001 . 1 . . 34462 . . 308 LYS H . 25183 1 163 . 1 1 36 36 LYS C C 13 174.5234 0.16 . 1 . . 38963 . . 308 LYS C . 25183 1 164 . 1 1 36 36 LYS CA C 13 54.1776 0.16 . 1 . . 34079 . . 308 LYS CA . 25183 1 165 . 1 1 36 36 LYS CB C 13 32.5041 0.16 . 1 . . 35183 . . 308 LYS CB . 25183 1 166 . 1 1 36 36 LYS N N 15 122.2055 0.03 . 1 . . 34464 . . 308 LYS N . 25183 1 167 . 1 1 37 37 PRO C C 13 176.9647 0.16 . 1 . . 39173 . . 309 PRO C . 25183 1 168 . 1 1 37 37 PRO CA C 13 63.3519 0.16 . 1 . . 31910 . . 309 PRO CA . 25183 1 169 . 1 1 37 37 PRO CB C 13 32.0126 0.16 . 1 . . 32006 . . 309 PRO CB . 25183 1 170 . 1 1 38 38 GLU H H 1 8.5879 0.001 . 1 . . 33199 . . 310 GLU H . 25183 1 171 . 1 1 38 38 GLU C C 13 176.4531 0.16 . 1 . . 42140 . . 310 GLU C . 25183 1 172 . 1 1 38 38 GLU CA C 13 56.6428 0.16 . 1 . . 42143 . . 310 GLU CA . 25183 1 173 . 1 1 38 38 GLU CB C 13 30.2147 0.16 . 1 . . 33317 . . 310 GLU CB . 25183 1 174 . 1 1 38 38 GLU N N 15 121.0414 0.03 . 1 . . 33201 . . 310 GLU N . 25183 1 175 . 1 1 39 39 GLU H H 1 8.3673 0.001 . 1 . . 42121 . . 311 GLU H . 25183 1 176 . 1 1 39 39 GLU C C 13 176.1303 0.16 . 1 . . 38885 . . 311 GLU C . 25183 1 177 . 1 1 39 39 GLU CA C 13 56.4881 0.16 . 1 . . 37991 . . 311 GLU CA . 25183 1 178 . 1 1 39 39 GLU CB C 13 30.4745 0.16 . 1 . . 32576 . . 311 GLU CB . 25183 1 179 . 1 1 39 39 GLU N N 15 122.8386 0.03 . 1 . . 42123 . . 311 GLU N . 25183 1 180 . 1 1 40 40 LYS H H 1 8.3471 0.001 . 1 . . 33496 . . 312 LYS H . 25183 1 181 . 1 1 40 40 LYS C C 13 176.2680 0.16 . 1 . . 38852 . . 312 LYS C . 25183 1 182 . 1 1 40 40 LYS CA C 13 56.1993 0.16 . 1 . . 32162 . . 312 LYS CA . 25183 1 183 . 1 1 40 40 LYS CB C 13 32.9161 0.16 . 1 . . 35033 . . 312 LYS CB . 25183 1 184 . 1 1 40 40 LYS N N 15 123.4281 0.03 . 1 . . 33498 . . 312 LYS N . 25183 1 185 . 1 1 41 41 LYS H H 1 8.4117 0.001 . 1 . . 33997 . . 313 LYS H . 25183 1 186 . 1 1 41 41 LYS C C 13 176.1229 0.16 . 1 . . 39278 . . 313 LYS C . 25183 1 187 . 1 1 41 41 LYS CA C 13 56.0970 0.16 . 1 . . 38030 . . 313 LYS CA . 25183 1 188 . 1 1 41 41 LYS CB C 13 33.1919 0.16 . 1 . . 32507 . . 313 LYS CB . 25183 1 189 . 1 1 41 41 LYS N N 15 123.7559 0.03 . 1 . . 33999 . . 313 LYS N . 25183 1 190 . 1 1 42 42 ASP H H 1 8.3979 0.001 . 1 . . 34894 . . 314 ASP H . 25183 1 191 . 1 1 42 42 ASP C C 13 175.8775 0.16 . 1 . . 38915 . . 314 ASP C . 25183 1 192 . 1 1 42 42 ASP CA C 13 54.1634 0.16 . 1 . . 55208 . . 314 ASP CA . 25183 1 193 . 1 1 42 42 ASP CB C 13 41.3167 0.16 . 1 . . 34766 . . 314 ASP CB . 25183 1 194 . 1 1 42 42 ASP N N 15 121.8818 0.03 . 1 . . 34896 . . 314 ASP N . 25183 1 195 . 1 1 43 43 ASP H H 1 8.3077 0.001 . 1 . . 55071 . . 315 ASP H . 25183 1 196 . 1 1 43 43 ASP C C 13 176.3781 0.16 . 1 . . 55085 . . 315 ASP C . 25183 1 197 . 1 1 43 43 ASP CA C 13 54.4304 0.16 . 1 . . 37025 . . 315 ASP CA . 25183 1 198 . 1 1 43 43 ASP CB C 13 41.1326 0.16 . 1 . . 31976 . . 315 ASP CB . 25183 1 199 . 1 1 43 43 ASP N N 15 121.3690 0.03 . 1 . . 55073 . . 315 ASP N . 25183 1 200 . 1 1 44 44 ASN H H 1 8.5062 0.001 . 1 . . 33238 . . 316 ASN H . 25183 1 201 . 1 1 44 44 ASN C C 13 175.7401 0.16 . 1 . . 38933 . . 316 ASN C . 25183 1 202 . 1 1 44 44 ASN CA C 13 53.6859 0.16 . 1 . . 34223 . . 316 ASN CA . 25183 1 203 . 1 1 44 44 ASN CB C 13 38.7924 0.16 . 1 . . 32447 . . 316 ASN CB . 25183 1 204 . 1 1 44 44 ASN N N 15 119.5951 0.03 . 1 . . 33240 . . 316 ASN N . 25183 1 205 . 1 1 45 45 SER H H 1 8.2732 0.001 . 1 . . 34222 . . 317 SER H . 25183 1 206 . 1 1 45 45 SER C C 13 174.7204 0.16 . 1 . . 39353 . . 317 SER C . 25183 1 207 . 1 1 45 45 SER CA C 13 59.2162 0.16 . 1 . . 38183 . . 317 SER CA . 25183 1 208 . 1 1 45 45 SER CB C 13 63.7522 0.16 . 1 . . 33461 . . 317 SER CB . 25183 1 209 . 1 1 45 45 SER N N 15 115.9132 0.03 . 1 . . 34224 . . 317 SER N . 25183 1 210 . 1 1 46 46 SER H H 1 8.2257 0.001 . 1 . . 32743 . . 318 SER H . 25183 1 211 . 1 1 46 46 SER C C 13 174.0191 0.16 . 1 . . 50262 . . 318 SER C . 25183 1 212 . 1 1 46 46 SER CA C 13 58.4103 0.16 . 1 . . 32750 . . 318 SER CA . 25183 1 213 . 1 1 46 46 SER CB C 13 63.7497 0.16 . 1 . . 32675 . . 318 SER CB . 25183 1 214 . 1 1 46 46 SER N N 15 117.4092 0.03 . 1 . . 32745 . . 318 SER N . 25183 1 215 . 1 1 47 47 LYS H H 1 8.1079 0.001 . 1 . . 36238 . . 319 LYS H . 25183 1 216 . 1 1 47 47 LYS C C 13 174.2930 0.16 . 1 . . 39083 . . 319 LYS C . 25183 1 217 . 1 1 47 47 LYS CA C 13 54.2238 0.16 . 1 . . 35930 . . 319 LYS CA . 25183 1 218 . 1 1 47 47 LYS CB C 13 32.4800 0.16 . 1 . . 36455 . . 319 LYS CB . 25183 1 219 . 1 1 47 47 LYS N N 15 124.0920 0.03 . 1 . . 36240 . . 319 LYS N . 25183 1 220 . 1 1 48 48 PRO C C 13 176.5739 0.16 . 1 . . 39233 . . 320 PRO C . 25183 1 221 . 1 1 48 48 PRO CA C 13 63.1130 0.16 . 1 . . 32030 . . 320 PRO CA . 25183 1 222 . 1 1 48 48 PRO CB C 13 32.0574 0.16 . 1 . . 32528 . . 320 PRO CB . 25183 1 223 . 1 1 49 49 ALA H H 1 8.3532 0.001 . 1 . . 32569 . . 321 ALA H . 25183 1 224 . 1 1 49 49 ALA C C 13 177.3693 0.16 . 1 . . 39395 . . 321 ALA C . 25183 1 225 . 1 1 49 49 ALA CA C 13 52.4856 0.16 . 1 . . 37817 . . 321 ALA CA . 25183 1 226 . 1 1 49 49 ALA CB C 13 19.2098 0.16 . 1 . . 33131 . . 321 ALA CB . 25183 1 227 . 1 1 49 49 ALA N N 15 124.3346 0.03 . 1 . . 32571 . . 321 ALA N . 25183 1 228 . 1 1 50 50 PHE H H 1 8.0566 0.001 . 1 . . 36703 . . 322 PHE H . 25183 1 229 . 1 1 50 50 PHE C C 13 175.4767 0.16 . 1 . . 39146 . . 322 PHE C . 25183 1 230 . 1 1 50 50 PHE CA C 13 57.5293 0.16 . 1 . . 38330 . . 322 PHE CA . 25183 1 231 . 1 1 50 50 PHE CB C 13 39.7394 0.16 . 1 . . 33107 . . 322 PHE CB . 25183 1 232 . 1 1 50 50 PHE N N 15 118.8407 0.03 . 1 . . 36705 . . 322 PHE N . 25183 1 233 . 1 1 51 51 SER H H 1 8.0268 0.001 . 1 . . 36778 . . 323 SER H . 25183 1 234 . 1 1 51 51 SER C C 13 173.8509 0.16 . 1 . . 39110 . . 323 SER C . 25183 1 235 . 1 1 51 51 SER CA C 13 57.8473 0.16 . 1 . . 38213 . . 323 SER CA . 25183 1 236 . 1 1 51 51 SER CB C 13 63.9308 0.16 . 1 . . 32690 . . 323 SER CB . 25183 1 237 . 1 1 51 51 SER N N 15 117.4315 0.03 . 1 . . 36780 . . 323 SER N . 25183 1 238 . 1 1 52 52 PHE H H 1 8.1734 0.001 . 1 . . 36001 . . 324 PHE H . 25183 1 239 . 1 1 52 52 PHE C C 13 176.2016 0.16 . 1 . . 39272 . . 324 PHE C . 25183 1 240 . 1 1 52 52 PHE CA C 13 58.2019 0.16 . 1 . . 32135 . . 324 PHE CA . 25183 1 241 . 1 1 52 52 PHE CB C 13 39.4293 0.16 . 1 . . 36332 . . 324 PHE CB . 25183 1 242 . 1 1 52 52 PHE N N 15 122.4070 0.03 . 1 . . 36003 . . 324 PHE N . 25183 1 243 . 1 1 53 53 GLY H H 1 8.2927 0.001 . 1 . . 36223 . . 325 GLY H . 25183 1 244 . 1 1 53 53 GLY C C 13 173.6641 0.16 . 1 . . 39413 . . 325 GLY C . 25183 1 245 . 1 1 53 53 GLY CA C 13 45.1954 0.16 . 1 . . 33071 . . 325 GLY CA . 25183 1 246 . 1 1 53 53 GLY N N 15 110.6128 0.03 . 1 . . 36225 . . 325 GLY N . 25183 1 247 . 1 1 54 54 ALA H H 1 8.0674 0.001 . 1 . . 36616 . . 326 ALA H . 25183 1 248 . 1 1 54 54 ALA C C 13 177.8154 0.16 . 1 . . 45750 . . 326 ALA C . 25183 1 249 . 1 1 54 54 ALA CA C 13 52.4699 0.16 . 1 . . 45732 . . 326 ALA CA . 25183 1 250 . 1 1 54 54 ALA CB C 13 19.3961 0.16 . 1 . . 45756 . . 326 ALA CB . 25183 1 251 . 1 1 54 54 ALA N N 15 123.9346 0.03 . 1 . . 36618 . . 326 ALA N . 25183 1 252 . 1 1 55 55 LYS H H 1 8.3414 0.001 . 1 . . 45716 . . 327 LYS H . 25183 1 253 . 1 1 55 55 LYS C C 13 176.6785 0.16 . 1 . . 45837 . . 327 LYS C . 25183 1 254 . 1 1 55 55 LYS CA C 13 56.2343 0.16 . 1 . . 43668 . . 327 LYS CA . 25183 1 255 . 1 1 55 55 LYS CB C 13 33.0658 0.16 . 1 . . 43802 . . 327 LYS CB . 25183 1 256 . 1 1 55 55 LYS N N 15 120.6942 0.03 . 1 . . 45718 . . 327 LYS N . 25183 1 257 . 1 1 56 56 SER H H 1 8.3558 0.001 . 1 . . 33502 . . 328 SER H . 25183 1 258 . 1 1 56 56 SER C C 13 174.4370 0.16 . 1 . . 55478 . . 328 SER C . 25183 1 259 . 1 1 56 56 SER CA C 13 58.3509 0.16 . 1 . . 37007 . . 328 SER CA . 25183 1 260 . 1 1 56 56 SER CB C 13 63.9169 0.16 . 1 . . 33161 . . 328 SER CB . 25183 1 261 . 1 1 56 56 SER N N 15 117.0562 0.03 . 1 . . 33504 . . 328 SER N . 25183 1 262 . 1 1 57 57 ASN H H 1 8.5073 0.001 . 1 . . 33172 . . 329 ASN H . 25183 1 263 . 1 1 57 57 ASN C C 13 175.3101 0.16 . 1 . . 45708 . . 329 ASN C . 25183 1 264 . 1 1 57 57 ASN CA C 13 53.5901 0.16 . 1 . . 45663 . . 329 ASN CA . 25183 1 265 . 1 1 57 57 ASN CB C 13 38.8277 0.16 . 1 . . 45666 . . 329 ASN CB . 25183 1 266 . 1 1 57 57 ASN N N 15 120.7412 0.03 . 1 . . 33174 . . 329 ASN N . 25183 1 267 . 1 1 58 58 GLU H H 1 8.3315 0.001 . 1 . . 45662 . . 330 GLU H . 25183 1 268 . 1 1 58 58 GLU C C 13 176.1265 0.16 . 1 . . 45702 . . 330 GLU C . 25183 1 269 . 1 1 58 58 GLU CA C 13 56.9476 0.16 . 1 . . 55069 . . 330 GLU CA . 25183 1 270 . 1 1 58 58 GLU CB C 13 30.2446 0.16 . 1 . . 55060 . . 330 GLU CB . 25183 1 271 . 1 1 58 58 GLU N N 15 120.7665 0.03 . 1 . . 45664 . . 330 GLU N . 25183 1 272 . 1 1 59 59 ASP H H 1 8.2970 0.001 . 1 . . 55041 . . 331 ASP H . 25183 1 273 . 1 1 59 59 ASP C C 13 176.1948 0.16 . 1 . . 39341 . . 331 ASP C . 25183 1 274 . 1 1 59 59 ASP CA C 13 54.4332 0.16 . 1 . . 37694 . . 331 ASP CA . 25183 1 275 . 1 1 59 59 ASP CB C 13 41.0604 0.16 . 1 . . 36269 . . 331 ASP CB . 25183 1 276 . 1 1 59 59 ASP N N 15 121.3916 0.03 . 1 . . 55043 . . 331 ASP N . 25183 1 277 . 1 1 60 60 LYS H H 1 8.1884 0.001 . 1 . . 36349 . . 332 LYS H . 25183 1 278 . 1 1 60 60 LYS C C 13 176.6097 0.16 . 1 . . 39245 . . 332 LYS C . 25183 1 279 . 1 1 60 60 LYS CA C 13 56.2606 0.16 . 1 . . 43126 . . 332 LYS CA . 25183 1 280 . 1 1 60 60 LYS CB C 13 32.8083 0.16 . 1 . . 35090 . . 332 LYS CB . 25183 1 281 . 1 1 60 60 LYS N N 15 121.6431 0.03 . 1 . . 36351 . . 332 LYS N . 25183 1 282 . 1 1 61 61 GLN H H 1 8.4254 0.001 . 1 . . 35089 . . 333 GLN H . 25183 1 283 . 1 1 61 61 GLN C C 13 175.7456 0.16 . 1 . . 38918 . . 333 GLN C . 25183 1 284 . 1 1 61 61 GLN CA C 13 55.8455 0.16 . 1 . . 38036 . . 333 GLN CA . 25183 1 285 . 1 1 61 61 GLN CB C 13 29.2290 0.16 . 1 . . 35282 . . 333 GLN CB . 25183 1 286 . 1 1 61 61 GLN N N 15 121.2646 0.03 . 1 . . 35091 . . 333 GLN N . 25183 1 287 . 1 1 62 62 ASP H H 1 8.3526 0.001 . 1 . . 34120 . . 334 ASP H . 25183 1 288 . 1 1 62 62 ASP C C 13 176.8790 0.16 . 1 . . 39224 . . 334 ASP C . 25183 1 289 . 1 1 62 62 ASP CA C 13 54.3384 0.16 . 1 . . 38087 . . 334 ASP CA . 25183 1 290 . 1 1 62 62 ASP CB C 13 41.2519 0.16 . 1 . . 45357 . . 334 ASP CB . 25183 1 291 . 1 1 62 62 ASP N N 15 121.4960 0.03 . 1 . . 34122 . . 334 ASP N . 25183 1 292 . 1 1 63 63 GLY H H 1 8.4115 0.001 . 1 . . 34579 . . 335 GLY H . 25183 1 293 . 1 1 63 63 GLY C C 13 174.6798 0.16 . 1 . . 39368 . . 335 GLY C . 25183 1 294 . 1 1 63 63 GLY CA C 13 45.6728 0.16 . 1 . . 37760 . . 335 GLY CA . 25183 1 295 . 1 1 63 63 GLY N N 15 109.7327 0.03 . 1 . . 34581 . . 335 GLY N . 25183 1 296 . 1 1 64 64 THR H H 1 8.0676 0.001 . 1 . . 33085 . . 336 THR H . 25183 1 297 . 1 1 64 64 THR C C 13 174.4269 0.16 . 1 . . 39092 . . 336 THR C . 25183 1 298 . 1 1 64 64 THR CA C 13 62.1989 0.16 . 1 . . 32714 . . 336 THR CA . 25183 1 299 . 1 1 64 64 THR CB C 13 69.8913 0.16 . 1 . . 35552 . . 336 THR CB . 25183 1 300 . 1 1 64 64 THR N N 15 113.6058 0.03 . 1 . . 33087 . . 336 THR N . 25183 1 301 . 1 1 65 65 ALA H H 1 8.2331 0.001 . 1 . . 36067 . . 337 ALA H . 25183 1 302 . 1 1 65 65 ALA C C 13 177.2775 0.16 . 1 . . 39329 . . 337 ALA C . 25183 1 303 . 1 1 65 65 ALA CA C 13 52.3849 0.16 . 1 . . 38261 . . 337 ALA CA . 25183 1 304 . 1 1 65 65 ALA CB C 13 19.2083 0.16 . 1 . . 32969 . . 337 ALA CB . 25183 1 305 . 1 1 65 65 ALA N N 15 126.5083 0.03 . 1 . . 36069 . . 337 ALA N . 25183 1 306 . 1 1 66 66 LYS H H 1 8.2396 0.001 . 1 . . 35737 . . 338 LYS H . 25183 1 307 . 1 1 66 66 LYS C C 13 174.4267 0.16 . 1 . . 39089 . . 338 LYS C . 25183 1 308 . 1 1 66 66 LYS CA C 13 54.0574 0.16 . 1 . . 35984 . . 338 LYS CA . 25183 1 309 . 1 1 66 66 LYS CB C 13 32.4331 0.16 . 1 . . 36464 . . 338 LYS CB . 25183 1 310 . 1 1 66 66 LYS N N 15 122.2970 0.03 . 1 . . 35739 . . 338 LYS N . 25183 1 311 . 1 1 67 67 PRO C C 13 176.5740 0.16 . 1 . . . . . 339 PRO C . 25183 1 312 . 1 1 67 67 PRO CA C 13 63.1130 0.16 . 1 . . . . . 339 PRO CA . 25183 1 313 . 1 1 67 67 PRO CB C 13 32.0570 0.16 . 1 . . . . . 339 PRO CB . 25183 1 314 . 1 1 68 68 ALA H H 1 8.3530 0.001 . 1 . . . . . 340 ALA H . 25183 1 315 . 1 1 68 68 ALA C C 13 177.3690 0.16 . 1 . . . . . 340 ALA C . 25183 1 316 . 1 1 68 68 ALA CA C 13 52.4860 0.16 . 1 . . . . . 340 ALA CA . 25183 1 317 . 1 1 68 68 ALA CB C 13 19.2100 0.16 . 1 . . . . . 340 ALA CB . 25183 1 318 . 1 1 68 68 ALA N N 15 124.3350 0.03 . 1 . . . . . 340 ALA N . 25183 1 319 . 1 1 69 69 PHE H H 1 8.0570 0.001 . 1 . . . . . 341 PHE H . 25183 1 320 . 1 1 69 69 PHE C C 13 175.4770 0.16 . 1 . . . . . 341 PHE C . 25183 1 321 . 1 1 69 69 PHE CA C 13 57.5290 0.16 . 1 . . . . . 341 PHE CA . 25183 1 322 . 1 1 69 69 PHE CB C 13 39.7390 0.16 . 1 . . . . . 341 PHE CB . 25183 1 323 . 1 1 69 69 PHE N N 15 118.8410 0.03 . 1 . . . . . 341 PHE N . 25183 1 324 . 1 1 70 70 SER H H 1 8.0270 0.001 . 1 . . . . . 342 SER H . 25183 1 325 . 1 1 70 70 SER C C 13 173.8510 0.16 . 1 . . . . . 342 SER C . 25183 1 326 . 1 1 70 70 SER CA C 13 57.8470 0.16 . 1 . . . . . 342 SER CA . 25183 1 327 . 1 1 70 70 SER CB C 13 63.9310 0.16 . 1 . . . . . 342 SER CB . 25183 1 328 . 1 1 70 70 SER N N 15 117.4310 0.03 . 1 . . . . . 342 SER N . 25183 1 329 . 1 1 71 71 PHE H H 1 8.1730 0.001 . 1 . . . . . 343 PHE H . 25183 1 330 . 1 1 71 71 PHE C C 13 176.2020 0.16 . 1 . . . . . 343 PHE C . 25183 1 331 . 1 1 71 71 PHE CA C 13 58.2020 0.16 . 1 . . . . . 343 PHE CA . 25183 1 332 . 1 1 71 71 PHE CB C 13 39.4290 0.16 . 1 . . . . . 343 PHE CB . 25183 1 333 . 1 1 71 71 PHE N N 15 122.4070 0.03 . 1 . . . . . 343 PHE N . 25183 1 334 . 1 1 72 72 GLY H H 1 8.2930 0.001 . 1 . . . . . 344 GLY H . 25183 1 335 . 1 1 72 72 GLY C C 13 173.4771 0.16 . 1 . . . . . 344 GLY C . 25183 1 336 . 1 1 72 72 GLY CA C 13 45.1448 0.16 . 1 . . . . . 344 GLY CA . 25183 1 337 . 1 1 72 72 GLY N N 15 110.6130 0.03 . 1 . . . . . 344 GLY N . 25183 1 338 . 1 1 73 73 ALA H H 1 8.0051 0.001 . 1 . . . . . 345 ALA H . 25183 1 339 . 1 1 73 73 ALA C C 13 177.3958 0.16 . 1 . . . . . 345 ALA C . 25183 1 340 . 1 1 73 73 ALA CA C 13 52.2290 0.16 . 1 . . . . . 345 ALA CA . 25183 1 341 . 1 1 73 73 ALA CB C 13 19.4776 0.16 . 1 . . . . . 345 ALA CB . 25183 1 342 . 1 1 73 73 ALA N N 15 123.7470 0.03 . 1 . . . . . 345 ALA N . 25183 1 343 . 1 1 74 74 LYS H H 1 8.2872 0.001 . 1 . . . . . 346 LYS H . 25183 1 344 . 1 1 74 74 LYS C C 13 174.5234 0.16 . 1 . . . . . 346 LYS C . 25183 1 345 . 1 1 74 74 LYS CA C 13 54.1776 0.16 . 1 . . . . . 346 LYS CA . 25183 1 346 . 1 1 74 74 LYS CB C 13 32.5041 0.16 . 1 . . . . . 346 LYS CB . 25183 1 347 . 1 1 74 74 LYS N N 15 122.2055 0.03 . 1 . . . . . 346 LYS N . 25183 1 348 . 1 1 77 77 GLU C C 13 176.4604 0.16 . 1 . . 48271 . . 349 GLU C . 25183 1 349 . 1 1 77 77 GLU CA C 13 56.4571 0.16 . 1 . . 48262 . . 349 GLU CA . 25183 1 350 . 1 1 77 77 GLU CB C 13 30.3950 0.16 . 1 . . 48265 . . 349 GLU CB . 25183 1 351 . 1 1 78 78 LYS H H 1 8.3264 0.001 . 1 . . 48261 . . 350 LYS H . 25183 1 352 . 1 1 78 78 LYS C C 13 176.1004 0.16 . 1 . . 39179 . . 350 LYS C . 25183 1 353 . 1 1 78 78 LYS CA C 13 56.2952 0.16 . 1 . . 31949 . . 350 LYS CA . 25183 1 354 . 1 1 78 78 LYS CB C 13 33.0274 0.16 . 1 . . 32003 . . 350 LYS CB . 25183 1 355 . 1 1 78 78 LYS N N 15 122.3294 0.03 . 1 . . 48263 . . 350 LYS N . 25183 1 356 . 1 1 79 79 ASN H H 1 8.4745 0.001 . 1 . . 33220 . . 351 ASN H . 25183 1 357 . 1 1 79 79 ASN C C 13 174.9249 0.16 . 1 . . 38690 . . 351 ASN C . 25183 1 358 . 1 1 79 79 ASN CA C 13 53.1921 0.16 . 1 . . 31964 . . 351 ASN CA . 25183 1 359 . 1 1 79 79 ASN CB C 13 38.9554 0.16 . 1 . . 33281 . . 351 ASN CB . 25183 1 360 . 1 1 79 79 ASN N N 15 120.0141 0.03 . 1 . . 33222 . . 351 ASN N . 25183 1 361 . 1 1 80 80 ASN H H 1 8.4629 0.001 . 1 . . 31978 . . 352 ASN H . 25183 1 362 . 1 1 80 80 ASN C C 13 175.0206 0.16 . 1 . . 38687 . . 352 ASN C . 25183 1 363 . 1 1 80 80 ASN CA C 13 53.3401 0.16 . 1 . . 37883 . . 352 ASN CA . 25183 1 364 . 1 1 80 80 ASN CB C 13 38.8086 0.16 . 1 . . 39676 . . 352 ASN CB . 25183 1 365 . 1 1 80 80 ASN N N 15 119.8185 0.03 . 1 . . 31980 . . 352 ASN N . 25183 1 366 . 1 1 81 81 ASN H H 1 8.4598 0.001 . 1 . . 31966 . . 353 ASN H . 25183 1 367 . 1 1 81 81 ASN C C 13 175.3232 0.16 . 1 . . 39299 . . 353 ASN C . 25183 1 368 . 1 1 81 81 ASN CA C 13 53.5753 0.16 . 1 . . 37373 . . 353 ASN CA . 25183 1 369 . 1 1 81 81 ASN CB C 13 38.8033 0.16 . 1 . . 32429 . . 353 ASN CB . 25183 1 370 . 1 1 81 81 ASN N N 15 119.0330 0.03 . 1 . . 31968 . . 353 ASN N . 25183 1 371 . 1 1 82 82 GLU H H 1 8.3553 0.001 . 1 . . 38770 . . 354 GLU H . 25183 1 372 . 1 1 82 82 GLU C C 13 176.8286 0.16 . 1 . . 39338 . . 354 GLU C . 25183 1 373 . 1 1 82 82 GLU CA C 13 57.0067 0.16 . 1 . . 38225 . . 354 GLU CA . 25183 1 374 . 1 1 82 82 GLU CB C 13 30.1980 0.16 . 1 . . 36485 . . 354 GLU CB . 25183 1 375 . 1 1 82 82 GLU N N 15 120.9994 0.03 . 1 . . 38772 . . 354 GLU N . 25183 1 376 . 1 1 83 83 THR H H 1 8.1582 0.001 . 1 . . 35704 . . 355 THR H . 25183 1 377 . 1 1 83 83 THR C C 13 174.6068 0.16 . 1 . . 39365 . . 355 THR C . 25183 1 378 . 1 1 83 83 THR CA C 13 62.0165 0.16 . 1 . . 35651 . . 355 THR CA . 25183 1 379 . 1 1 83 83 THR CB C 13 69.7650 0.16 . 1 . . 35561 . . 355 THR CB . 25183 1 380 . 1 1 83 83 THR N N 15 114.4462 0.03 . 1 . . 35706 . . 355 THR N . 25183 1 381 . 1 1 84 84 SER H H 1 8.2260 0.001 . 1 . . 39112 . . 356 SER H . 25183 1 382 . 1 1 84 84 SER C C 13 173.9509 0.16 . 1 . . 50483 . . 356 SER C . 25183 1 383 . 1 1 84 84 SER CA C 13 58.3278 0.16 . 1 . . 32747 . . 356 SER CA . 25183 1 384 . 1 1 84 84 SER CB C 13 63.8102 0.16 . 1 . . 32672 . . 356 SER CB . 25183 1 385 . 1 1 84 84 SER N N 15 118.2690 0.03 . 1 . . 39114 . . 356 SER N . 25183 1 386 . 1 1 85 85 LYS H H 1 8.2232 0.001 . 1 . . 36076 . . 357 LYS H . 25183 1 387 . 1 1 85 85 LYS C C 13 174.3122 0.16 . 1 . . 39080 . . 357 LYS C . 25183 1 388 . 1 1 85 85 LYS CA C 13 54.2288 0.16 . 1 . . 44346 . . 357 LYS CA . 25183 1 389 . 1 1 85 85 LYS CB C 13 32.5357 0.16 . 1 . . 36446 . . 357 LYS CB . 25183 1 390 . 1 1 85 85 LYS N N 15 124.2632 0.03 . 1 . . 36078 . . 357 LYS N . 25183 1 391 . 1 1 86 86 PRO C C 13 176.5740 0.16 . 1 . . . . . 358 PRO C . 25183 1 392 . 1 1 86 86 PRO CA C 13 63.1130 0.16 . 1 . . . . . 358 PRO CA . 25183 1 393 . 1 1 86 86 PRO CB C 13 32.0570 0.16 . 1 . . . . . 358 PRO CB . 25183 1 394 . 1 1 87 87 ALA H H 1 8.3530 0.001 . 1 . . . . . 359 ALA H . 25183 1 395 . 1 1 87 87 ALA C C 13 177.3690 0.16 . 1 . . . . . 359 ALA C . 25183 1 396 . 1 1 87 87 ALA CA C 13 52.4860 0.16 . 1 . . . . . 359 ALA CA . 25183 1 397 . 1 1 87 87 ALA CB C 13 19.2100 0.16 . 1 . . . . . 359 ALA CB . 25183 1 398 . 1 1 87 87 ALA N N 15 124.3350 0.03 . 1 . . . . . 359 ALA N . 25183 1 399 . 1 1 88 88 PHE H H 1 8.0570 0.001 . 1 . . . . . 360 PHE H . 25183 1 400 . 1 1 88 88 PHE C C 13 175.4770 0.16 . 1 . . . . . 360 PHE C . 25183 1 401 . 1 1 88 88 PHE CA C 13 57.5290 0.16 . 1 . . . . . 360 PHE CA . 25183 1 402 . 1 1 88 88 PHE CB C 13 39.7390 0.16 . 1 . . . . . 360 PHE CB . 25183 1 403 . 1 1 88 88 PHE N N 15 118.8410 0.03 . 1 . . . . . 360 PHE N . 25183 1 404 . 1 1 89 89 SER H H 1 8.0270 0.001 . 1 . . . . . 361 SER H . 25183 1 405 . 1 1 89 89 SER C C 13 173.8510 0.16 . 1 . . . . . 361 SER C . 25183 1 406 . 1 1 89 89 SER CA C 13 57.8470 0.16 . 1 . . . . . 361 SER CA . 25183 1 407 . 1 1 89 89 SER CB C 13 63.9310 0.16 . 1 . . . . . 361 SER CB . 25183 1 408 . 1 1 89 89 SER N N 15 117.4310 0.03 . 1 . . . . . 361 SER N . 25183 1 409 . 1 1 90 90 PHE H H 1 8.1730 0.001 . 1 . . . . . 362 PHE H . 25183 1 410 . 1 1 90 90 PHE C C 13 176.2020 0.16 . 1 . . . . . 362 PHE C . 25183 1 411 . 1 1 90 90 PHE CA C 13 58.2020 0.16 . 1 . . . . . 362 PHE CA . 25183 1 412 . 1 1 90 90 PHE CB C 13 39.4290 0.16 . 1 . . . . . 362 PHE CB . 25183 1 413 . 1 1 90 90 PHE N N 15 122.4070 0.03 . 1 . . . . . 362 PHE N . 25183 1 414 . 1 1 91 91 GLY H H 1 8.2930 0.001 . 1 . . . . . 363 GLY H . 25183 1 415 . 1 1 91 91 GLY C C 13 173.6640 0.16 . 1 . . . . . 363 GLY C . 25183 1 416 . 1 1 91 91 GLY CA C 13 45.1950 0.16 . 1 . . . . . 363 GLY CA . 25183 1 417 . 1 1 91 91 GLY N N 15 110.6130 0.03 . 1 . . . . . 363 GLY N . 25183 1 418 . 1 1 92 92 ALA H H 1 8.0670 0.001 . 1 . . . . . 364 ALA H . 25183 1 419 . 1 1 92 92 ALA C C 13 177.8130 0.16 . 1 . . . . . 364 ALA C . 25183 1 420 . 1 1 92 92 ALA CA C 13 52.4670 0.16 . 1 . . . . . 364 ALA CA . 25183 1 421 . 1 1 92 92 ALA CB C 13 19.4390 0.16 . 1 . . . . . 364 ALA CB . 25183 1 422 . 1 1 92 92 ALA N N 15 123.9390 0.03 . 1 . . . . . 364 ALA N . 25183 1 423 . 1 1 93 93 LYS H H 1 8.3530 0.001 . 1 . . . . . 365 LYS H . 25183 1 424 . 1 1 93 93 LYS C C 13 176.8000 0.16 . 1 . . . . . 365 LYS C . 25183 1 425 . 1 1 93 93 LYS CA C 13 56.2540 0.16 . 1 . . . . . 365 LYS CA . 25183 1 426 . 1 1 93 93 LYS CB C 13 32.9490 0.16 . 1 . . . . . 365 LYS CB . 25183 1 427 . 1 1 93 93 LYS N N 15 120.9180 0.03 . 1 . . . . . 365 LYS N . 25183 1 428 . 1 1 94 94 SER H H 1 8.3290 0.001 . 1 . . . . . 366 SER H . 25183 1 429 . 1 1 94 94 SER C C 13 174.3123 0.16 . 1 . . 39311 . . 366 SER C . 25183 1 430 . 1 1 94 94 SER CA C 13 58.4783 0.16 . 1 . . 32105 . . 366 SER CA . 25183 1 431 . 1 1 94 94 SER CB C 13 63.8438 0.16 . 1 . . 32042 . . 366 SER CB . 25183 1 432 . 1 1 94 94 SER N N 15 117.1680 0.03 . 1 . . . . . 366 SER N . 25183 1 433 . 1 1 95 95 ASP H H 1 8.3819 0.001 . 1 . . 38812 . . 367 ASP H . 25183 1 434 . 1 1 95 95 ASP C C 13 176.1415 0.16 . 1 . . 39053 . . 367 ASP C . 25183 1 435 . 1 1 95 95 ASP CA C 13 54.4184 0.16 . 1 . . 36038 . . 367 ASP CA . 25183 1 436 . 1 1 95 95 ASP CB C 13 41.0907 0.16 . 1 . . 36281 . . 367 ASP CB . 25183 1 437 . 1 1 95 95 ASP N N 15 122.4319 0.03 . 1 . . 38814 . . 367 ASP N . 25183 1 438 . 1 1 96 96 GLU H H 1 8.2333 0.001 . 1 . . 36205 . . 368 GLU H . 25183 1 439 . 1 1 96 96 GLU C C 13 176.4259 0.16 . 1 . . 42299 . . 368 GLU C . 25183 1 440 . 1 1 96 96 GLU CA C 13 56.8591 0.16 . 1 . . 42281 . . 368 GLU CA . 25183 1 441 . 1 1 96 96 GLU CB C 13 30.3605 0.16 . 1 . . 42442 . . 368 GLU CB . 25183 1 442 . 1 1 96 96 GLU N N 15 121.2523 0.03 . 1 . . 36207 . . 368 GLU N . 25183 1 443 . 1 1 97 97 LYS H H 1 8.3300 0.001 . 1 . . 42271 . . 369 LYS H . 25183 1 444 . 1 1 97 97 LYS C C 13 176.5586 0.16 . 1 . . 41213 . . 369 LYS C . 25183 1 445 . 1 1 97 97 LYS CA C 13 56.2342 0.16 . 1 . . 38024 . . 369 LYS CA . 25183 1 446 . 1 1 97 97 LYS CB C 13 32.6636 0.16 . 1 . . 42457 . . 369 LYS CB . 25183 1 447 . 1 1 97 97 LYS N N 15 122.5330 0.03 . 1 . . 42273 . . 369 LYS N . 25183 1 448 . 1 1 98 98 LYS H H 1 8.3693 0.001 . 1 . . 33439 . . 370 LYS H . 25183 1 449 . 1 1 98 98 LYS C C 13 176.3332 0.16 . 1 . . 39269 . . 370 LYS C . 25183 1 450 . 1 1 98 98 LYS CA C 13 56.2128 0.16 . 1 . . 33842 . . 370 LYS CA . 25183 1 451 . 1 1 98 98 LYS CB C 13 33.0555 0.16 . 1 . . 35048 . . 370 LYS CB . 25183 1 452 . 1 1 98 98 LYS N N 15 123.0951 0.03 . 1 . . 33441 . . 370 LYS N . 25183 1 453 . 1 1 99 99 ASP H H 1 8.3682 0.001 . 1 . . 34486 . . 371 ASP H . 25183 1 454 . 1 1 99 99 ASP C C 13 176.7649 0.16 . 1 . . 38795 . . 371 ASP C . 25183 1 455 . 1 1 99 99 ASP CA C 13 54.5153 0.16 . 1 . . 37346 . . 371 ASP CA . 25183 1 456 . 1 1 99 99 ASP CB C 13 41.2158 0.16 . 1 . . 34781 . . 371 ASP CB . 25183 1 457 . 1 1 99 99 ASP N N 15 121.4712 0.03 . 1 . . 34488 . . 371 ASP N . 25183 1 458 . 1 1 100 100 GLY H H 1 8.3122 0.001 . 1 . . 32464 . . 372 GLY H . 25183 1 459 . 1 1 100 100 GLY C C 13 174.0810 0.16 . 1 . . 39098 . . 372 GLY C . 25183 1 460 . 1 1 100 100 GLY CA C 13 45.5415 0.16 . 1 . . 32867 . . 372 GLY CA . 25183 1 461 . 1 1 100 100 GLY N N 15 109.3497 0.03 . 1 . . 32466 . . 372 GLY N . 25183 1 462 . 1 1 101 101 ASP H H 1 8.2162 0.001 . 1 . . 32704 . . 373 ASP H . 25183 1 463 . 1 1 101 101 ASP C C 13 176.3710 0.16 . 1 . . 43955 . . 373 ASP C . 25183 1 464 . 1 1 101 101 ASP CA C 13 54.4919 0.16 . 1 . . 43934 . . 373 ASP CA . 25183 1 465 . 1 1 101 101 ASP CB C 13 41.2786 0.16 . 1 . . 43949 . . 373 ASP CB . 25183 1 466 . 1 1 101 101 ASP N N 15 120.7686 0.03 . 1 . . 32706 . . 373 ASP N . 25183 1 467 . 1 1 102 102 ALA H H 1 8.2736 0.001 . 1 . . 43933 . . 374 ALA H . 25183 1 468 . 1 1 102 102 ALA C C 13 177.8440 0.16 . 1 . . 39320 . . 374 ALA C . 25183 1 469 . 1 1 102 102 ALA CA C 13 52.8220 0.16 . 1 . . 38279 . . 374 ALA CA . 25183 1 470 . 1 1 102 102 ALA CB C 13 19.0182 0.16 . 1 . . 36536 . . 374 ALA CB . 25183 1 471 . 1 1 102 102 ALA N N 15 124.7398 0.03 . 1 . . 43935 . . 374 ALA N . 25183 1 472 . 1 1 103 103 SER H H 1 8.2496 0.001 . 1 . . 32986 . . 375 SER H . 25183 1 473 . 1 1 103 103 SER C C 13 174.1354 0.16 . 1 . . 39410 . . 375 SER C . 25183 1 474 . 1 1 103 103 SER CA C 13 58.6510 0.16 . 1 . . 53376 . . 375 SER CA . 25183 1 475 . 1 1 103 103 SER CB C 13 63.8110 0.16 . 1 . . 33005 . . 375 SER CB . 25183 1 476 . 1 1 103 103 SER N N 15 114.7241 0.03 . 1 . . 32988 . . 375 SER N . 25183 1 477 . 1 1 104 104 LYS H H 1 8.0346 0.001 . 1 . . 33013 . . 376 LYS H . 25183 1 478 . 1 1 104 104 LYS C C 13 177.6368 0.16 . 1 . . 39125 . . 376 LYS C . 25183 1 479 . 1 1 104 104 LYS CA C 13 54.1841 0.16 . 1 . . 36650 . . 376 LYS CA . 25183 1 480 . 1 1 104 104 LYS CB C 13 32.5392 0.16 . 1 . . 36932 . . 376 LYS CB . 25183 1 481 . 1 1 104 104 LYS N N 15 123.9372 0.03 . 1 . . 33015 . . 376 LYS N . 25183 1 482 . 1 1 105 105 PRO C C 13 176.5740 0.16 . 1 . . . . . 377 PRO C . 25183 1 483 . 1 1 105 105 PRO CA C 13 63.1130 0.16 . 1 . . . . . 377 PRO CA . 25183 1 484 . 1 1 105 105 PRO CB C 13 32.0570 0.16 . 1 . . . . . 377 PRO CB . 25183 1 485 . 1 1 106 106 ALA H H 1 8.3530 0.001 . 1 . . . . . 378 ALA H . 25183 1 486 . 1 1 106 106 ALA C C 13 177.3690 0.16 . 1 . . . . . 378 ALA C . 25183 1 487 . 1 1 106 106 ALA CA C 13 52.4860 0.16 . 1 . . . . . 378 ALA CA . 25183 1 488 . 1 1 106 106 ALA CB C 13 19.2100 0.16 . 1 . . . . . 378 ALA CB . 25183 1 489 . 1 1 106 106 ALA N N 15 124.3350 0.03 . 1 . . . . . 378 ALA N . 25183 1 490 . 1 1 107 107 PHE H H 1 8.0570 0.001 . 1 . . . . . 379 PHE H . 25183 1 491 . 1 1 107 107 PHE C C 13 175.4770 0.16 . 1 . . . . . 379 PHE C . 25183 1 492 . 1 1 107 107 PHE CA C 13 57.5290 0.16 . 1 . . . . . 379 PHE CA . 25183 1 493 . 1 1 107 107 PHE CB C 13 39.7390 0.16 . 1 . . . . . 379 PHE CB . 25183 1 494 . 1 1 107 107 PHE N N 15 118.8410 0.03 . 1 . . . . . 379 PHE N . 25183 1 495 . 1 1 108 108 SER H H 1 8.0270 0.001 . 1 . . . . . 380 SER H . 25183 1 496 . 1 1 108 108 SER C C 13 173.8510 0.16 . 1 . . . . . 380 SER C . 25183 1 497 . 1 1 108 108 SER CA C 13 57.8470 0.16 . 1 . . . . . 380 SER CA . 25183 1 498 . 1 1 108 108 SER CB C 13 63.9310 0.16 . 1 . . . . . 380 SER CB . 25183 1 499 . 1 1 108 108 SER N N 15 117.4310 0.03 . 1 . . . . . 380 SER N . 25183 1 500 . 1 1 109 109 PHE H H 1 8.1730 0.001 . 1 . . . . . 381 PHE H . 25183 1 501 . 1 1 109 109 PHE C C 13 176.2020 0.16 . 1 . . . . . 381 PHE C . 25183 1 502 . 1 1 109 109 PHE CA C 13 58.2020 0.16 . 1 . . . . . 381 PHE CA . 25183 1 503 . 1 1 109 109 PHE CB C 13 39.4290 0.16 . 1 . . . . . 381 PHE CB . 25183 1 504 . 1 1 109 109 PHE N N 15 122.4070 0.03 . 1 . . . . . 381 PHE N . 25183 1 505 . 1 1 110 110 GLY H H 1 8.2930 0.001 . 1 . . . . . 382 GLY H . 25183 1 506 . 1 1 110 110 GLY C C 13 173.4771 0.16 . 1 . . . . . 382 GLY C . 25183 1 507 . 1 1 110 110 GLY CA C 13 45.1448 0.16 . 1 . . . . . 382 GLY CA . 25183 1 508 . 1 1 110 110 GLY N N 15 110.6130 0.03 . 1 . . . . . 382 GLY N . 25183 1 509 . 1 1 111 111 ALA H H 1 8.0051 0.001 . 1 . . . . . 383 ALA H . 25183 1 510 . 1 1 111 111 ALA C C 13 177.3958 0.16 . 1 . . . . . 383 ALA C . 25183 1 511 . 1 1 111 111 ALA CA C 13 52.2290 0.16 . 1 . . . . . 383 ALA CA . 25183 1 512 . 1 1 111 111 ALA CB C 13 19.4776 0.16 . 1 . . . . . 383 ALA CB . 25183 1 513 . 1 1 111 111 ALA N N 15 123.7470 0.03 . 1 . . . . . 383 ALA N . 25183 1 514 . 1 1 112 112 LYS H H 1 8.2872 0.001 . 1 . . . . . 384 LYS H . 25183 1 515 . 1 1 112 112 LYS C C 13 174.5234 0.16 . 1 . . . . . 384 LYS C . 25183 1 516 . 1 1 112 112 LYS CA C 13 54.1776 0.16 . 1 . . . . . 384 LYS CA . 25183 1 517 . 1 1 112 112 LYS CB C 13 32.5041 0.16 . 1 . . . . . 384 LYS CB . 25183 1 518 . 1 1 112 112 LYS N N 15 122.2055 0.03 . 1 . . . . . 384 LYS N . 25183 1 519 . 1 1 113 113 PRO C C 13 176.6607 0.16 . 1 . . 38834 . . 385 PRO C . 25183 1 520 . 1 1 113 113 PRO CA C 13 63.4212 0.16 . 1 . . 32045 . . 385 PRO CA . 25183 1 521 . 1 1 113 113 PRO CB C 13 32.0336 0.16 . 1 . . 32564 . . 385 PRO CB . 25183 1 522 . 1 1 114 114 ASP H H 1 8.3903 0.001 . 1 . . 34207 . . 386 ASP H . 25183 1 523 . 1 1 114 114 ASP C C 13 176.4802 0.16 . 1 . . 42575 . . 386 ASP C . 25183 1 524 . 1 1 114 114 ASP CA C 13 54.4116 0.16 . 1 . . 47651 . . 386 ASP CA . 25183 1 525 . 1 1 114 114 ASP CB C 13 41.1672 0.16 . 1 . . 47728 . . 386 ASP CB . 25183 1 526 . 1 1 114 114 ASP N N 15 120.0272 0.03 . 1 . . 34209 . . 386 ASP N . 25183 1 527 . 1 1 115 115 GLU H H 1 8.3129 0.001 . 1 . . 32305 . . 387 GLU H . 25183 1 528 . 1 1 115 115 GLU C C 13 176.4577 0.16 . 1 . . 38825 . . 387 GLU C . 25183 1 529 . 1 1 115 115 GLU CA C 13 57.1569 0.16 . 1 . . 32126 . . 387 GLU CA . 25183 1 530 . 1 1 115 115 GLU CB C 13 30.1224 0.16 . 1 . . 35336 . . 387 GLU CB . 25183 1 531 . 1 1 115 115 GLU N N 15 121.1570 0.03 . 1 . . 32307 . . 387 GLU N . 25183 1 532 . 1 1 116 116 ASN H H 1 8.4158 0.001 . 1 . . 34855 . . 388 ASN H . 25183 1 533 . 1 1 116 116 ASN C C 13 175.3708 0.16 . 1 . . 56039 . . 388 ASN C . 25183 1 534 . 1 1 116 116 ASN CA C 13 53.4640 0.16 . 1 . . 56037 . . 388 ASN CA . 25183 1 535 . 1 1 116 116 ASN CB C 13 38.6825 0.16 . 1 . . 56038 . . 388 ASN CB . 25183 1 536 . 1 1 116 116 ASN N N 15 119.2506 0.03 . 1 . . 34857 . . 388 ASN N . 25183 1 537 . 1 1 117 117 LYS H H 1 8.1620 0.001 . 1 . . . . . 389 LYS H . 25183 1 538 . 1 1 117 117 LYS N N 15 121.8990 0.03 . 1 . . . . . 389 LYS N . 25183 1 539 . 1 1 118 118 ALA C C 13 177.9160 0.16 . 1 . . 43952 . . 390 ALA C . 25183 1 540 . 1 1 118 118 ALA CA C 13 52.7542 0.16 . 1 . . 32852 . . 390 ALA CA . 25183 1 541 . 1 1 118 118 ALA CB C 13 19.0856 0.16 . 1 . . 44002 . . 390 ALA CB . 25183 1 542 . 1 1 119 119 SER H H 1 8.1909 0.001 . 1 . . 32989 . . 391 SER H . 25183 1 543 . 1 1 119 119 SER C C 13 174.5797 0.16 . 1 . . 39011 . . 391 SER C . 25183 1 544 . 1 1 119 119 SER CA C 13 58.3526 0.16 . 1 . . 37949 . . 391 SER CA . 25183 1 545 . 1 1 119 119 SER CB C 13 63.8605 0.16 . 1 . . 32021 . . 391 SER CB . 25183 1 546 . 1 1 119 119 SER N N 15 114.9101 0.03 . 1 . . 32991 . . 391 SER N . 25183 1 547 . 1 1 120 120 ALA H H 1 8.3165 0.001 . 1 . . 33403 . . 392 ALA H . 25183 1 548 . 1 1 120 120 ALA C C 13 177.9851 0.16 . 1 . . 39119 . . 392 ALA C . 25183 1 549 . 1 1 120 120 ALA CA C 13 52.8750 0.16 . 1 . . 33053 . . 392 ALA CA . 25183 1 550 . 1 1 120 120 ALA CB C 13 19.2824 0.16 . 1 . . 36995 . . 392 ALA CB . 25183 1 551 . 1 1 120 120 ALA N N 15 125.9717 0.03 . 1 . . 33405 . . 392 ALA N . 25183 1 552 . 1 1 121 121 THR H H 1 8.0534 0.001 . 1 . . 33139 . . 393 THR H . 25183 1 553 . 1 1 121 121 THR C C 13 174.5573 0.16 . 1 . . 50450 . . 393 THR C . 25183 1 554 . 1 1 121 121 THR CA C 13 61.7461 0.16 . 1 . . 37577 . . 393 THR CA . 25183 1 555 . 1 1 121 121 THR CB C 13 69.7605 0.16 . 1 . . 32663 . . 393 THR CB . 25183 1 556 . 1 1 121 121 THR N N 15 112.2414 0.03 . 1 . . 33141 . . 393 THR N . 25183 1 557 . 1 1 122 122 SER H H 1 8.1670 0.001 . 1 . . 32662 . . 394 SER H . 25183 1 558 . 1 1 122 122 SER C C 13 173.9173 0.16 . 1 . . 50456 . . 394 SER C . 25183 1 559 . 1 1 122 122 SER CA C 13 58.2754 0.16 . 1 . . 33566 . . 394 SER CA . 25183 1 560 . 1 1 122 122 SER CB C 13 63.9183 0.16 . 1 . . 33434 . . 394 SER CB . 25183 1 561 . 1 1 122 122 SER N N 15 118.3499 0.03 . 1 . . 32664 . . 394 SER N . 25183 1 562 . 1 1 123 123 LYS H H 1 8.2767 0.001 . 1 . . 34315 . . 395 LYS H . 25183 1 563 . 1 1 123 123 LYS C C 13 174.3090 0.16 . 1 . . 38969 . . 395 LYS C . 25183 1 564 . 1 1 123 123 LYS CA C 13 54.3230 0.16 . 1 . . 33989 . . 395 LYS CA . 25183 1 565 . 1 1 123 123 LYS CB C 13 32.5059 0.16 . 1 . . 35147 . . 395 LYS CB . 25183 1 566 . 1 1 123 123 LYS N N 15 124.2822 0.03 . 1 . . 34317 . . 395 LYS N . 25183 1 567 . 1 1 125 125 ALA C C 13 177.6757 0.16 . 1 . . 39326 . . 397 ALA C . 25183 1 568 . 1 1 125 125 ALA CA C 13 52.3918 0.16 . 1 . . 32837 . . 397 ALA CA . 25183 1 569 . 1 1 125 125 ALA CB C 13 19.1002 0.16 . 1 . . 32975 . . 397 ALA CB . 25183 1 570 . 1 1 126 126 LEU H H 1 8.1303 0.001 . 1 . . 35890 . . . LEU H . 25183 1 571 . 1 1 126 126 LEU C C 13 177.2479 0.16 . 1 . . 38768 . . . LEU C . 25183 1 572 . 1 1 126 126 LEU CA C 13 55.1350 0.16 . 1 . . 32231 . . . LEU CA . 25183 1 573 . 1 1 126 126 LEU CB C 13 42.4096 0.16 . 1 . . 34829 . . . LEU CB . 25183 1 574 . 1 1 126 126 LEU N N 15 121.3218 0.03 . 1 . . 35892 . . . LEU N . 25183 1 575 . 1 1 127 127 GLU H H 1 8.2880 0.001 . 1 . . 35317 . . . GLU H . 25183 1 576 . 1 1 127 127 GLU C C 13 176.0844 0.16 . 1 . . 38903 . . . GLU C . 25183 1 577 . 1 1 127 127 GLU CA C 13 56.4863 0.16 . 1 . . 33917 . . . GLU CA . 25183 1 578 . 1 1 127 127 GLU CB C 13 30.3822 0.16 . 1 . . 54884 . . . GLU CB . 25183 1 579 . 1 1 127 127 GLU N N 15 121.3909 0.03 . 1 . . 35319 . . . GLU N . 25183 1 580 . 1 1 128 128 HIS H H 1 8.2621 0.001 . 1 . . 39283 . . . HIS H . 25183 1 581 . 1 1 128 128 HIS C C 13 173.9364 0.16 . 1 . . . . . . HIS C . 25183 1 582 . 1 1 128 128 HIS CA C 13 55.9865 0.16 . 1 . . 37670 . . . HIS CA . 25183 1 583 . 1 1 128 128 HIS CB C 13 30.2465 0.16 . 1 . . 32963 . . . HIS CB . 25183 1 584 . 1 1 128 128 HIS N N 15 120.1073 0.03 . 1 . . 39285 . . . HIS N . 25183 1 585 . 1 1 129 129 HIS H H 1 8.0650 0.001 . 1 . . 39406 . . . HIS H . 25183 1 586 . 1 1 129 129 HIS CA C 13 57.3347 0.16 . 1 . . 35711 . . . HIS CA . 25183 1 587 . 1 1 129 129 HIS N N 15 125.4488 0.03 . 1 . . 39408 . . . HIS N . 25183 1 stop_ save_