data_17916 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17916 _Entry.Title ; Backbone assignments for the C-terminal domain of yeast Tfg2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-06 _Entry.Accession_date 2011-09-06 _Entry.Last_release_date 2011-12-14 _Entry.Original_release_date 2011-12-14 _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 'Structure determination using CS-Rosetta' _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 Adina Kilpatrick . M. . 17916 2 Leonardus Koharudin . M.I. . 17916 3 Angela Gronenborn . M. . 17916 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Pittsburgh' . 17916 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17916 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 17916 '15N chemical shifts' 89 17916 '1H chemical shifts' 176 17916 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 . . 2011-12-14 2011-09-04 original author . 17916 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17917 Tfg1 17916 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17916 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22095626 _Citation.Full_citation . _Citation.Title 'Structural and binding studies of the C-terminal domains of yeast TFIIF subunits Tfg1 and Tfg2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _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 2011 _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 Adina Kilpatrick . M. . 17916 1 2 Leonardus Koharudin . M.I. . 17916 1 3 Guillermo Calero . A. . 17916 1 4 Angela Gronenborn . M. . 17916 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CS-ROSETTA 17916 1 NMR 17916 1 'transcription factor' 17916 1 'winged-helix fold' 17916 1 yeast 17916 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17916 _Assembly.ID 1 _Assembly.Name Tfg2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Tfg2 1 $Tfg2 A . yes native no no . . . 17916 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfg2 _Entity.Sf_category entity _Entity.Sf_framecode Tfg2 _Entity.Entry_ID 17916 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tfg2 _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 ; MASKSNIKSIRMPKKEILDY LFKLFDEYDYWSLKGLKERT RQPEAHLKECLDKVATLVKK GPYAFKYTLRPEYKKLKEEE RKATLGELADEQT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native affinity tag.' _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain' _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 PDB 4V1N . "Architecture Of The Rna Polymerase Ii-mediator Core Transcription Initiation Complex" . . . . . 97.85 331 98.90 100.00 1.04e-55 . . . . 17916 1 2 no PDB 4V1O . "Architecture Of The Rna Polymerase Ii-mediator Core Transcription Initiation Complex" . . . . . 97.85 331 98.90 100.00 1.04e-55 . . . . 17916 1 3 no DBJ GAA23391 . "K7_Tfg2p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 4 no EMBL CAA96988 . "TFG2 [Saccharomyces cerevisiae]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 5 no EMBL CAY79765 . "Tfg2p [Saccharomyces cerevisiae EC1118]" . . . . . 97.85 400 98.90 100.00 7.84e-55 . . . . 17916 1 6 no GB AAA61642 . "transcription initiation factor TFIIF middle subunit [Saccharomyces cerevisiae]" . . . . . 97.85 400 98.90 100.00 9.30e-55 . . . . 17916 1 7 no GB AAT92890 . "YGR005C [Saccharomyces cerevisiae]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 8 no GB AHY79373 . "Tfg2p [Saccharomyces cerevisiae YJM993]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 9 no GB AJP38791 . "Tfg2p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 10 no GB AJR76111 . "Tfg2p [Saccharomyces cerevisiae YJM189]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 11 no REF NP_011519 . "transcription factor IIF subunit TFG2 [Saccharomyces cerevisiae S288c]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 12 no SP P41896 . "RecName: Full=Transcription initiation factor IIF subunit beta; AltName: Full=ATP-dependent helicase TFG2; AltName: Full=TFIIF " . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 1 13 no TPG DAA08103 . "TPA: transcription factor IIF subunit TFG2 [Saccharomyces cerevisiae S288c]" . . . . . 97.85 400 98.90 100.00 8.91e-55 . . . . 17916 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 1 283 MET . 17916 1 2 284 ALA . 17916 1 3 285 SER . 17916 1 4 286 LYS . 17916 1 5 287 SER . 17916 1 6 288 ASN . 17916 1 7 289 ILE . 17916 1 8 290 LYS . 17916 1 9 291 SER . 17916 1 10 292 ILE . 17916 1 11 293 ARG . 17916 1 12 294 MET . 17916 1 13 295 PRO . 17916 1 14 296 LYS . 17916 1 15 297 LYS . 17916 1 16 298 GLU . 17916 1 17 299 ILE . 17916 1 18 300 LEU . 17916 1 19 301 ASP . 17916 1 20 302 TYR . 17916 1 21 303 LEU . 17916 1 22 304 PHE . 17916 1 23 305 LYS . 17916 1 24 306 LEU . 17916 1 25 307 PHE . 17916 1 26 308 ASP . 17916 1 27 309 GLU . 17916 1 28 310 TYR . 17916 1 29 311 ASP . 17916 1 30 312 TYR . 17916 1 31 313 TRP . 17916 1 32 314 SER . 17916 1 33 315 LEU . 17916 1 34 316 LYS . 17916 1 35 317 GLY . 17916 1 36 318 LEU . 17916 1 37 319 LYS . 17916 1 38 320 GLU . 17916 1 39 321 ARG . 17916 1 40 322 THR . 17916 1 41 323 ARG . 17916 1 42 324 GLN . 17916 1 43 325 PRO . 17916 1 44 326 GLU . 17916 1 45 327 ALA . 17916 1 46 328 HIS . 17916 1 47 329 LEU . 17916 1 48 330 LYS . 17916 1 49 331 GLU . 17916 1 50 332 CYS . 17916 1 51 333 LEU . 17916 1 52 334 ASP . 17916 1 53 335 LYS . 17916 1 54 336 VAL . 17916 1 55 337 ALA . 17916 1 56 338 THR . 17916 1 57 339 LEU . 17916 1 58 340 VAL . 17916 1 59 341 LYS . 17916 1 60 342 LYS . 17916 1 61 343 GLY . 17916 1 62 344 PRO . 17916 1 63 345 TYR . 17916 1 64 346 ALA . 17916 1 65 347 PHE . 17916 1 66 348 LYS . 17916 1 67 349 TYR . 17916 1 68 350 THR . 17916 1 69 351 LEU . 17916 1 70 352 ARG . 17916 1 71 353 PRO . 17916 1 72 354 GLU . 17916 1 73 355 TYR . 17916 1 74 356 LYS . 17916 1 75 357 LYS . 17916 1 76 358 LEU . 17916 1 77 359 LYS . 17916 1 78 360 GLU . 17916 1 79 361 GLU . 17916 1 80 362 GLU . 17916 1 81 363 ARG . 17916 1 82 364 LYS . 17916 1 83 365 ALA . 17916 1 84 366 THR . 17916 1 85 367 LEU . 17916 1 86 368 GLY . 17916 1 87 369 GLU . 17916 1 88 370 LEU . 17916 1 89 371 ALA . 17916 1 90 372 ASP . 17916 1 91 373 GLU . 17916 1 92 374 GLN . 17916 1 93 375 THR . 17916 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 17916 1 . ALA 2 2 17916 1 . SER 3 3 17916 1 . LYS 4 4 17916 1 . SER 5 5 17916 1 . ASN 6 6 17916 1 . ILE 7 7 17916 1 . LYS 8 8 17916 1 . SER 9 9 17916 1 . ILE 10 10 17916 1 . ARG 11 11 17916 1 . MET 12 12 17916 1 . PRO 13 13 17916 1 . LYS 14 14 17916 1 . LYS 15 15 17916 1 . GLU 16 16 17916 1 . ILE 17 17 17916 1 . LEU 18 18 17916 1 . ASP 19 19 17916 1 . TYR 20 20 17916 1 . LEU 21 21 17916 1 . PHE 22 22 17916 1 . LYS 23 23 17916 1 . LEU 24 24 17916 1 . PHE 25 25 17916 1 . ASP 26 26 17916 1 . GLU 27 27 17916 1 . TYR 28 28 17916 1 . ASP 29 29 17916 1 . TYR 30 30 17916 1 . TRP 31 31 17916 1 . SER 32 32 17916 1 . LEU 33 33 17916 1 . LYS 34 34 17916 1 . GLY 35 35 17916 1 . LEU 36 36 17916 1 . LYS 37 37 17916 1 . GLU 38 38 17916 1 . ARG 39 39 17916 1 . THR 40 40 17916 1 . ARG 41 41 17916 1 . GLN 42 42 17916 1 . PRO 43 43 17916 1 . GLU 44 44 17916 1 . ALA 45 45 17916 1 . HIS 46 46 17916 1 . LEU 47 47 17916 1 . LYS 48 48 17916 1 . GLU 49 49 17916 1 . CYS 50 50 17916 1 . LEU 51 51 17916 1 . ASP 52 52 17916 1 . LYS 53 53 17916 1 . VAL 54 54 17916 1 . ALA 55 55 17916 1 . THR 56 56 17916 1 . LEU 57 57 17916 1 . VAL 58 58 17916 1 . LYS 59 59 17916 1 . LYS 60 60 17916 1 . GLY 61 61 17916 1 . PRO 62 62 17916 1 . TYR 63 63 17916 1 . ALA 64 64 17916 1 . PHE 65 65 17916 1 . LYS 66 66 17916 1 . TYR 67 67 17916 1 . THR 68 68 17916 1 . LEU 69 69 17916 1 . ARG 70 70 17916 1 . PRO 71 71 17916 1 . GLU 72 72 17916 1 . TYR 73 73 17916 1 . LYS 74 74 17916 1 . LYS 75 75 17916 1 . LEU 76 76 17916 1 . LYS 77 77 17916 1 . GLU 78 78 17916 1 . GLU 79 79 17916 1 . GLU 80 80 17916 1 . ARG 81 81 17916 1 . LYS 82 82 17916 1 . ALA 83 83 17916 1 . THR 84 84 17916 1 . LEU 85 85 17916 1 . GLY 86 86 17916 1 . GLU 87 87 17916 1 . LEU 88 88 17916 1 . ALA 89 89 17916 1 . ASP 90 90 17916 1 . GLU 91 91 17916 1 . GLN 92 92 17916 1 . THR 93 93 17916 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 17916 _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 $Tfg2 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17916 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 17916 _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 $Tfg2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-18 . . . . . . 17916 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17916 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tfg2 '[U-98% 13C; U-98% 15N]' . . 1 $Tfg2 . . . 1 1.5 mM . . . . 17916 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17916 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17916 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 17916 _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' 0.1 . M 17916 1 pH 6.2 . pH 17916 1 pressure 1 . atm 17916 1 temperature 298 . K 17916 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17916 _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 . . 17916 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17916 1 'peak picking' 17916 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 17916 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17916 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17916 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17916 _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 . . . 17916 1 2 spectrometer_2 Bruker Avance . 700 . . . 17916 1 3 spectrometer_3 Bruker Avance . 800 . . . 17916 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 17916 _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 . . . . . . . . . . . . . . . . . . . . . 17916 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17916 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17916 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17916 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17916 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17916 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 17916 _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 . . . . . . . . . 17916 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17916 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17916 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 17916 _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' . . . 17916 1 2 '3D HNCACB' . . . 17916 1 3 '3D CBCA(CO)NH' . . . 17916 1 4 '3D HNCO' . . . 17916 1 5 '3D H(CCO)NH' . . . 17916 1 6 '3D HCCH-TOCSY' . . . 17916 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 1 1 MET H H 1 8.36 0.02 . 1 . . . . 283 MET H . 17916 1 2 . 1 1 1 1 MET HA H 1 4.43 0.02 . 1 . . . . 283 MET HA . 17916 1 3 . 1 1 1 1 MET C C 13 175.83 0.05 . 1 . . . . 283 MET C . 17916 1 4 . 1 1 1 1 MET CA C 13 55.65 0.05 . 1 . . . . 283 MET CA . 17916 1 5 . 1 1 1 1 MET CB C 13 32.98 0.05 . 1 . . . . 283 MET CB . 17916 1 6 . 1 1 1 1 MET N N 15 122.15 0.05 . 1 . . . . 283 MET N . 17916 1 7 . 1 1 2 2 ALA H H 1 8.40 0.02 . 1 . . . . 284 ALA H . 17916 1 8 . 1 1 2 2 ALA HA H 1 4.33 0.02 . 1 . . . . 284 ALA HA . 17916 1 9 . 1 1 2 2 ALA C C 13 177.77 0.05 . 1 . . . . 284 ALA C . 17916 1 10 . 1 1 2 2 ALA CA C 13 52.72 0.05 . 1 . . . . 284 ALA CA . 17916 1 11 . 1 1 2 2 ALA CB C 13 19.24 0.05 . 1 . . . . 284 ALA CB . 17916 1 12 . 1 1 2 2 ALA N N 15 125.79 0.05 . 1 . . . . 284 ALA N . 17916 1 13 . 1 1 3 3 SER H H 1 8.29 0.02 . 1 . . . . 285 SER H . 17916 1 14 . 1 1 3 3 SER C C 13 174.76 0.05 . 1 . . . . 285 SER C . 17916 1 15 . 1 1 3 3 SER CA C 13 58.37 0.05 . 1 . . . . 285 SER CA . 17916 1 16 . 1 1 3 3 SER CB C 13 63.91 0.05 . 1 . . . . 285 SER CB . 17916 1 17 . 1 1 3 3 SER N N 15 115.30 0.05 . 1 . . . . 285 SER N . 17916 1 18 . 1 1 4 4 LYS H H 1 8.39 0.02 . 1 . . . . 286 LYS H . 17916 1 19 . 1 1 4 4 LYS HA H 1 4.38 0.02 . 1 . . . . 286 LYS HA . 17916 1 20 . 1 1 4 4 LYS C C 13 176.64 0.05 . 1 . . . . 286 LYS C . 17916 1 21 . 1 1 4 4 LYS CA C 13 56.57 0.05 . 1 . . . . 286 LYS CA . 17916 1 22 . 1 1 4 4 LYS CB C 13 32.99 0.05 . 1 . . . . 286 LYS CB . 17916 1 23 . 1 1 4 4 LYS N N 15 123.29 0.05 . 1 . . . . 286 LYS N . 17916 1 24 . 1 1 5 5 SER H H 1 8.28 0.02 . 1 . . . . 287 SER H . 17916 1 25 . 1 1 5 5 SER C C 13 174.22 0.05 . 1 . . . . 287 SER C . 17916 1 26 . 1 1 5 5 SER CA C 13 58.34 0.05 . 1 . . . . 287 SER CA . 17916 1 27 . 1 1 5 5 SER CB C 13 63.93 0.05 . 1 . . . . 287 SER CB . 17916 1 28 . 1 1 5 5 SER N N 15 116.27 0.05 . 1 . . . . 287 SER N . 17916 1 29 . 1 1 6 6 ASN H H 1 8.48 0.02 . 1 . . . . 288 ASN H . 17916 1 30 . 1 1 6 6 ASN HA H 1 4.75 0.02 . 1 . . . . 288 ASN HA . 17916 1 31 . 1 1 6 6 ASN C C 13 175.05 0.05 . 1 . . . . 288 ASN C . 17916 1 32 . 1 1 6 6 ASN CA C 13 53.27 0.05 . 1 . . . . 288 ASN CA . 17916 1 33 . 1 1 6 6 ASN CB C 13 38.79 0.05 . 1 . . . . 288 ASN CB . 17916 1 34 . 1 1 6 6 ASN N N 15 121.09 0.05 . 1 . . . . 288 ASN N . 17916 1 35 . 1 1 7 7 ILE H H 1 8.02 0.02 . 1 . . . . 289 ILE H . 17916 1 36 . 1 1 7 7 ILE HA H 1 4.14 0.02 . 1 . . . . 289 ILE HA . 17916 1 37 . 1 1 7 7 ILE C C 13 176.10 0.05 . 1 . . . . 289 ILE C . 17916 1 38 . 1 1 7 7 ILE CA C 13 61.44 0.05 . 1 . . . . 289 ILE CA . 17916 1 39 . 1 1 7 7 ILE CB C 13 38.68 0.05 . 1 . . . . 289 ILE CB . 17916 1 40 . 1 1 7 7 ILE N N 15 120.98 0.05 . 1 . . . . 289 ILE N . 17916 1 41 . 1 1 8 8 LYS H H 1 8.38 0.02 . 1 . . . . 290 LYS H . 17916 1 42 . 1 1 8 8 LYS HA H 1 4.34 0.02 . 1 . . . . 290 LYS HA . 17916 1 43 . 1 1 8 8 LYS C C 13 176.42 0.05 . 1 . . . . 290 LYS C . 17916 1 44 . 1 1 8 8 LYS CA C 13 56.44 0.05 . 1 . . . . 290 LYS CA . 17916 1 45 . 1 1 8 8 LYS CB C 13 33.04 0.05 . 1 . . . . 290 LYS CB . 17916 1 46 . 1 1 8 8 LYS N N 15 125.36 0.05 . 1 . . . . 290 LYS N . 17916 1 47 . 1 1 9 9 SER H H 1 8.26 0.02 . 1 . . . . 291 SER H . 17916 1 48 . 1 1 9 9 SER C C 13 174.24 0.05 . 1 . . . . 291 SER C . 17916 1 49 . 1 1 9 9 SER CA C 13 58.04 0.05 . 1 . . . . 291 SER CA . 17916 1 50 . 1 1 9 9 SER CB C 13 63.93 0.05 . 1 . . . . 291 SER CB . 17916 1 51 . 1 1 9 9 SER N N 15 117.25 0.05 . 1 . . . . 291 SER N . 17916 1 52 . 1 1 10 10 ILE H H 1 8.17 0.02 . 1 . . . . 292 ILE H . 17916 1 53 . 1 1 10 10 ILE HA H 1 4.21 0.02 . 1 . . . . 292 ILE HA . 17916 1 54 . 1 1 10 10 ILE C C 13 176.01 0.05 . 1 . . . . 292 ILE C . 17916 1 55 . 1 1 10 10 ILE CA C 13 61.06 0.05 . 1 . . . . 292 ILE CA . 17916 1 56 . 1 1 10 10 ILE CB C 13 39.00 0.05 . 1 . . . . 292 ILE CB . 17916 1 57 . 1 1 10 10 ILE N N 15 122.63 0.05 . 1 . . . . 292 ILE N . 17916 1 58 . 1 1 11 11 ARG H H 1 8.33 0.02 . 1 . . . . 293 ARG H . 17916 1 59 . 1 1 11 11 ARG HA H 1 4.46 0.02 . 1 . . . . 293 ARG HA . 17916 1 60 . 1 1 11 11 ARG C C 13 175.65 0.05 . 1 . . . . 293 ARG C . 17916 1 61 . 1 1 11 11 ARG CA C 13 55.63 0.05 . 1 . . . . 293 ARG CA . 17916 1 62 . 1 1 11 11 ARG CB C 13 30.69 0.05 . 1 . . . . 293 ARG CB . 17916 1 63 . 1 1 11 11 ARG N N 15 125.00 0.05 . 1 . . . . 293 ARG N . 17916 1 64 . 1 1 12 12 MET H H 1 8.75 0.02 . 1 . . . . 294 MET H . 17916 1 65 . 1 1 12 12 MET CA C 13 54.15 0.05 . 1 . . . . 294 MET CA . 17916 1 66 . 1 1 12 12 MET CB C 13 34.10 0.05 . 1 . . . . 294 MET CB . 17916 1 67 . 1 1 12 12 MET N N 15 125.86 0.05 . 1 . . . . 294 MET N . 17916 1 68 . 1 1 13 13 PRO HA H 1 4.52 0.02 . 1 . . . . 295 PRO HA . 17916 1 69 . 1 1 13 13 PRO C C 13 177.12 0.05 . 1 . . . . 295 PRO C . 17916 1 70 . 1 1 13 13 PRO CA C 13 62.71 0.05 . 1 . . . . 295 PRO CA . 17916 1 71 . 1 1 13 13 PRO CB C 13 32.20 0.05 . 1 . . . . 295 PRO CB . 17916 1 72 . 1 1 14 14 LYS H H 1 8.84 0.02 . 1 . . . . 296 LYS H . 17916 1 73 . 1 1 14 14 LYS HA H 1 3.79 0.02 . 1 . . . . 296 LYS HA . 17916 1 74 . 1 1 14 14 LYS C C 13 177.87 0.05 . 1 . . . . 296 LYS C . 17916 1 75 . 1 1 14 14 LYS CA C 13 60.37 0.05 . 1 . . . . 296 LYS CA . 17916 1 76 . 1 1 14 14 LYS CB C 13 32.58 0.05 . 1 . . . . 296 LYS CB . 17916 1 77 . 1 1 14 14 LYS N N 15 123.61 0.05 . 1 . . . . 296 LYS N . 17916 1 78 . 1 1 15 15 LYS H H 1 8.93 0.02 . 1 . . . . 297 LYS H . 17916 1 79 . 1 1 15 15 LYS HA H 1 3.78 0.02 . 1 . . . . 297 LYS HA . 17916 1 80 . 1 1 15 15 LYS C C 13 177.69 0.05 . 1 . . . . 297 LYS C . 17916 1 81 . 1 1 15 15 LYS CA C 13 60.35 0.05 . 1 . . . . 297 LYS CA . 17916 1 82 . 1 1 15 15 LYS CB C 13 32.51 0.05 . 1 . . . . 297 LYS CB . 17916 1 83 . 1 1 15 15 LYS N N 15 117.61 0.05 . 1 . . . . 297 LYS N . 17916 1 84 . 1 1 16 16 GLU H H 1 7.37 0.02 . 1 . . . . 298 GLU H . 17916 1 85 . 1 1 16 16 GLU HA H 1 4.14 0.02 . 1 . . . . 298 GLU HA . 17916 1 86 . 1 1 16 16 GLU C C 13 179.38 0.05 . 1 . . . . 298 GLU C . 17916 1 87 . 1 1 16 16 GLU CA C 13 58.98 0.05 . 1 . . . . 298 GLU CA . 17916 1 88 . 1 1 16 16 GLU CB C 13 29.73 0.05 . 1 . . . . 298 GLU CB . 17916 1 89 . 1 1 16 16 GLU N N 15 117.03 0.05 . 1 . . . . 298 GLU N . 17916 1 90 . 1 1 17 17 ILE H H 1 7.94 0.02 . 1 . . . . 299 ILE H . 17916 1 91 . 1 1 17 17 ILE HA H 1 3.79 0.02 . 1 . . . . 299 ILE HA . 17916 1 92 . 1 1 17 17 ILE C C 13 177.54 0.05 . 1 . . . . 299 ILE C . 17916 1 93 . 1 1 17 17 ILE CA C 13 64.97 0.05 . 1 . . . . 299 ILE CA . 17916 1 94 . 1 1 17 17 ILE CB C 13 37.09 0.05 . 1 . . . . 299 ILE CB . 17916 1 95 . 1 1 17 17 ILE N N 15 120.45 0.05 . 1 . . . . 299 ILE N . 17916 1 96 . 1 1 18 18 LEU H H 1 8.32 0.02 . 1 . . . . 300 LEU H . 17916 1 97 . 1 1 18 18 LEU HA H 1 3.68 0.02 . 1 . . . . 300 LEU HA . 17916 1 98 . 1 1 18 18 LEU C C 13 177.33 0.05 . 1 . . . . 300 LEU C . 17916 1 99 . 1 1 18 18 LEU CA C 13 58.84 0.05 . 1 . . . . 300 LEU CA . 17916 1 100 . 1 1 18 18 LEU CB C 13 41.81 0.05 . 1 . . . . 300 LEU CB . 17916 1 101 . 1 1 18 18 LEU N N 15 120.61 0.05 . 1 . . . . 300 LEU N . 17916 1 102 . 1 1 19 19 ASP H H 1 7.78 0.02 . 1 . . . . 301 ASP H . 17916 1 103 . 1 1 19 19 ASP C C 13 178.44 0.05 . 1 . . . . 301 ASP C . 17916 1 104 . 1 1 19 19 ASP CA C 13 57.87 0.05 . 1 . . . . 301 ASP CA . 17916 1 105 . 1 1 19 19 ASP CB C 13 41.78 0.05 . 1 . . . . 301 ASP CB . 17916 1 106 . 1 1 19 19 ASP N N 15 117.35 0.05 . 1 . . . . 301 ASP N . 17916 1 107 . 1 1 20 20 TYR H H 1 7.90 0.02 . 1 . . . . 302 TYR H . 17916 1 108 . 1 1 20 20 TYR HA H 1 4.34 0.02 . 1 . . . . 302 TYR HA . 17916 1 109 . 1 1 20 20 TYR C C 13 178.72 0.05 . 1 . . . . 302 TYR C . 17916 1 110 . 1 1 20 20 TYR CA C 13 59.42 0.05 . 1 . . . . 302 TYR CA . 17916 1 111 . 1 1 20 20 TYR CB C 13 38.09 0.05 . 1 . . . . 302 TYR CB . 17916 1 112 . 1 1 20 20 TYR N N 15 119.88 0.05 . 1 . . . . 302 TYR N . 17916 1 113 . 1 1 21 21 LEU H H 1 8.81 0.02 . 1 . . . . 303 LEU H . 17916 1 114 . 1 1 21 21 LEU HA H 1 3.62 0.02 . 1 . . . . 303 LEU HA . 17916 1 115 . 1 1 21 21 LEU C C 13 178.86 0.05 . 1 . . . . 303 LEU C . 17916 1 116 . 1 1 21 21 LEU CA C 13 58.20 0.05 . 1 . . . . 303 LEU CA . 17916 1 117 . 1 1 21 21 LEU CB C 13 41.14 0.05 . 1 . . . . 303 LEU CB . 17916 1 118 . 1 1 21 21 LEU N N 15 118.05 0.05 . 1 . . . . 303 LEU N . 17916 1 119 . 1 1 22 22 PHE H H 1 8.45 0.02 . 1 . . . . 304 PHE H . 17916 1 120 . 1 1 22 22 PHE HA H 1 4.34 0.02 . 1 . . . . 304 PHE HA . 17916 1 121 . 1 1 22 22 PHE C C 13 178.44 0.05 . 1 . . . . 304 PHE C . 17916 1 122 . 1 1 22 22 PHE CA C 13 62.32 0.05 . 1 . . . . 304 PHE CA . 17916 1 123 . 1 1 22 22 PHE CB C 13 37.79 0.05 . 1 . . . . 304 PHE CB . 17916 1 124 . 1 1 22 22 PHE N N 15 117.18 0.05 . 1 . . . . 304 PHE N . 17916 1 125 . 1 1 23 23 LYS H H 1 7.69 0.02 . 1 . . . . 305 LYS H . 17916 1 126 . 1 1 23 23 LYS C C 13 180.65 0.05 . 1 . . . . 305 LYS C . 17916 1 127 . 1 1 23 23 LYS CA C 13 59.69 0.05 . 1 . . . . 305 LYS CA . 17916 1 128 . 1 1 23 23 LYS CB C 13 32.08 0.05 . 1 . . . . 305 LYS CB . 17916 1 129 . 1 1 23 23 LYS N N 15 118.56 0.05 . 1 . . . . 305 LYS N . 17916 1 130 . 1 1 24 24 LEU H H 1 8.37 0.02 . 1 . . . . 306 LEU H . 17916 1 131 . 1 1 24 24 LEU HA H 1 4.14 0.02 . 1 . . . . 306 LEU HA . 17916 1 132 . 1 1 24 24 LEU C C 13 181.31 0.05 . 1 . . . . 306 LEU C . 17916 1 133 . 1 1 24 24 LEU CA C 13 58.26 0.05 . 1 . . . . 306 LEU CA . 17916 1 134 . 1 1 24 24 LEU CB C 13 38.52 0.05 . 1 . . . . 306 LEU CB . 17916 1 135 . 1 1 24 24 LEU N N 15 122.58 0.05 . 1 . . . . 306 LEU N . 17916 1 136 . 1 1 25 25 PHE H H 1 8.65 0.02 . 1 . . . . 307 PHE H . 17916 1 137 . 1 1 25 25 PHE HA H 1 5.44 0.02 . 1 . . . . 307 PHE HA . 17916 1 138 . 1 1 25 25 PHE C C 13 177.25 0.05 . 1 . . . . 307 PHE C . 17916 1 139 . 1 1 25 25 PHE CA C 13 61.28 0.05 . 1 . . . . 307 PHE CA . 17916 1 140 . 1 1 25 25 PHE CB C 13 38.78 0.05 . 1 . . . . 307 PHE CB . 17916 1 141 . 1 1 25 25 PHE N N 15 120.45 0.05 . 1 . . . . 307 PHE N . 17916 1 142 . 1 1 26 26 ASP H H 1 7.81 0.02 . 1 . . . . 308 ASP H . 17916 1 143 . 1 1 26 26 ASP HA H 1 4.74 0.02 . 1 . . . . 308 ASP HA . 17916 1 144 . 1 1 26 26 ASP C C 13 177.41 0.05 . 1 . . . . 308 ASP C . 17916 1 145 . 1 1 26 26 ASP CA C 13 56.16 0.05 . 1 . . . . 308 ASP CA . 17916 1 146 . 1 1 26 26 ASP CB C 13 40.79 0.05 . 1 . . . . 308 ASP CB . 17916 1 147 . 1 1 26 26 ASP N N 15 119.88 0.05 . 1 . . . . 308 ASP N . 17916 1 148 . 1 1 27 27 GLU H H 1 7.69 0.02 . 1 . . . . 309 GLU H . 17916 1 149 . 1 1 27 27 GLU HA H 1 4.13 0.02 . 1 . . . . 309 GLU HA . 17916 1 150 . 1 1 27 27 GLU C C 13 176.76 0.05 . 1 . . . . 309 GLU C . 17916 1 151 . 1 1 27 27 GLU CA C 13 58.83 0.05 . 1 . . . . 309 GLU CA . 17916 1 152 . 1 1 27 27 GLU CB C 13 31.16 0.05 . 1 . . . . 309 GLU CB . 17916 1 153 . 1 1 27 27 GLU N N 15 121.10 0.05 . 1 . . . . 309 GLU N . 17916 1 154 . 1 1 28 28 TYR H H 1 7.97 0.02 . 1 . . . . 310 TYR H . 17916 1 155 . 1 1 28 28 TYR HA H 1 4.63 0.02 . 1 . . . . 310 TYR HA . 17916 1 156 . 1 1 28 28 TYR C C 13 174.40 0.05 . 1 . . . . 310 TYR C . 17916 1 157 . 1 1 28 28 TYR CA C 13 58.26 0.05 . 1 . . . . 310 TYR CA . 17916 1 158 . 1 1 28 28 TYR CB C 13 41.84 0.05 . 1 . . . . 310 TYR CB . 17916 1 159 . 1 1 28 28 TYR N N 15 115.83 0.05 . 1 . . . . 310 TYR N . 17916 1 160 . 1 1 29 29 ASP H H 1 7.95 0.02 . 1 . . . . 311 ASP H . 17916 1 161 . 1 1 29 29 ASP HA H 1 4.64 0.02 . 1 . . . . 311 ASP HA . 17916 1 162 . 1 1 29 29 ASP C C 13 175.99 0.05 . 1 . . . . 311 ASP C . 17916 1 163 . 1 1 29 29 ASP CA C 13 56.68 0.05 . 1 . . . . 311 ASP CA . 17916 1 164 . 1 1 29 29 ASP CB C 13 42.09 0.05 . 1 . . . . 311 ASP CB . 17916 1 165 . 1 1 29 29 ASP N N 15 117.77 0.05 . 1 . . . . 311 ASP N . 17916 1 166 . 1 1 30 30 TYR H H 1 7.10 0.02 . 1 . . . . 312 TYR H . 17916 1 167 . 1 1 30 30 TYR HA H 1 5.84 0.02 . 1 . . . . 312 TYR HA . 17916 1 168 . 1 1 30 30 TYR C C 13 174.99 0.05 . 1 . . . . 312 TYR C . 17916 1 169 . 1 1 30 30 TYR CA C 13 56.64 0.05 . 1 . . . . 312 TYR CA . 17916 1 170 . 1 1 30 30 TYR CB C 13 41.92 0.05 . 1 . . . . 312 TYR CB . 17916 1 171 . 1 1 30 30 TYR N N 15 115.61 0.05 . 1 . . . . 312 TYR N . 17916 1 172 . 1 1 31 31 TRP H H 1 9.21 0.02 . 1 . . . . 313 TRP H . 17916 1 173 . 1 1 31 31 TRP HA H 1 4.81 0.02 . 1 . . . . 313 TRP HA . 17916 1 174 . 1 1 31 31 TRP C C 13 176.05 0.05 . 1 . . . . 313 TRP C . 17916 1 175 . 1 1 31 31 TRP CA C 13 56.65 0.05 . 1 . . . . 313 TRP CA . 17916 1 176 . 1 1 31 31 TRP CB C 13 34.08 0.05 . 1 . . . . 313 TRP CB . 17916 1 177 . 1 1 31 31 TRP N N 15 121.25 0.05 . 1 . . . . 313 TRP N . 17916 1 178 . 1 1 32 32 SER H H 1 9.58 0.02 . 1 . . . . 314 SER H . 17916 1 179 . 1 1 32 32 SER HA H 1 5.07 0.02 . 1 . . . . 314 SER HA . 17916 1 180 . 1 1 32 32 SER C C 13 174.62 0.05 . 1 . . . . 314 SER C . 17916 1 181 . 1 1 32 32 SER CA C 13 56.65 0.05 . 1 . . . . 314 SER CA . 17916 1 182 . 1 1 32 32 SER CB C 13 65.53 0.05 . 1 . . . . 314 SER CB . 17916 1 183 . 1 1 32 32 SER N N 15 118.86 0.05 . 1 . . . . 314 SER N . 17916 1 184 . 1 1 33 33 LEU H H 1 9.50 0.02 . 1 . . . . 315 LEU H . 17916 1 185 . 1 1 33 33 LEU HA H 1 4.15 0.02 . 1 . . . . 315 LEU HA . 17916 1 186 . 1 1 33 33 LEU C C 13 178.60 0.05 . 1 . . . . 315 LEU C . 17916 1 187 . 1 1 33 33 LEU CA C 13 58.61 0.05 . 1 . . . . 315 LEU CA . 17916 1 188 . 1 1 33 33 LEU CB C 13 41.62 0.05 . 1 . . . . 315 LEU CB . 17916 1 189 . 1 1 33 33 LEU N N 15 124.19 0.05 . 1 . . . . 315 LEU N . 17916 1 190 . 1 1 34 34 LYS H H 1 8.60 0.02 . 1 . . . . 316 LYS H . 17916 1 191 . 1 1 34 34 LYS HA H 1 3.98 0.02 . 1 . . . . 316 LYS HA . 17916 1 192 . 1 1 34 34 LYS C C 13 178.90 0.05 . 1 . . . . 316 LYS C . 17916 1 193 . 1 1 34 34 LYS CA C 13 60.16 0.05 . 1 . . . . 316 LYS CA . 17916 1 194 . 1 1 34 34 LYS CB C 13 32.77 0.05 . 1 . . . . 316 LYS CB . 17916 1 195 . 1 1 34 34 LYS N N 15 118.67 0.05 . 1 . . . . 316 LYS N . 17916 1 196 . 1 1 35 35 GLY H H 1 8.64 0.02 . 1 . . . . 317 GLY H . 17916 1 197 . 1 1 35 35 GLY HA2 H 1 4.18 0.02 . 2 . . . . 317 GLY HA2 . 17916 1 198 . 1 1 35 35 GLY HA3 H 1 4.08 0.02 . 2 . . . . 317 GLY HA3 . 17916 1 199 . 1 1 35 35 GLY C C 13 177.20 0.05 . 1 . . . . 317 GLY C . 17916 1 200 . 1 1 35 35 GLY CA C 13 47.14 0.05 . 1 . . . . 317 GLY CA . 17916 1 201 . 1 1 35 35 GLY N N 15 108.61 0.05 . 1 . . . . 317 GLY N . 17916 1 202 . 1 1 36 36 LEU H H 1 8.40 0.02 . 1 . . . . 318 LEU H . 17916 1 203 . 1 1 36 36 LEU HA H 1 3.75 0.02 . 1 . . . . 318 LEU HA . 17916 1 204 . 1 1 36 36 LEU C C 13 180.78 0.05 . 1 . . . . 318 LEU C . 17916 1 205 . 1 1 36 36 LEU CA C 13 57.82 0.05 . 1 . . . . 318 LEU CA . 17916 1 206 . 1 1 36 36 LEU CB C 13 43.16 0.05 . 1 . . . . 318 LEU CB . 17916 1 207 . 1 1 36 36 LEU N N 15 122.30 0.05 . 1 . . . . 318 LEU N . 17916 1 208 . 1 1 37 37 LYS H H 1 9.04 0.02 . 1 . . . . 319 LYS H . 17916 1 209 . 1 1 37 37 LYS HA H 1 3.76 0.02 . 1 . . . . 319 LYS HA . 17916 1 210 . 1 1 37 37 LYS C C 13 179.05 0.05 . 1 . . . . 319 LYS C . 17916 1 211 . 1 1 37 37 LYS CA C 13 60.68 0.05 . 1 . . . . 319 LYS CA . 17916 1 212 . 1 1 37 37 LYS CB C 13 32.20 0.05 . 1 . . . . 319 LYS CB . 17916 1 213 . 1 1 37 37 LYS N N 15 125.13 0.05 . 1 . . . . 319 LYS N . 17916 1 214 . 1 1 38 38 GLU H H 1 8.23 0.02 . 1 . . . . 320 GLU H . 17916 1 215 . 1 1 38 38 GLU HA H 1 4.03 0.02 . 1 . . . . 320 GLU HA . 17916 1 216 . 1 1 38 38 GLU C C 13 178.52 0.05 . 1 . . . . 320 GLU C . 17916 1 217 . 1 1 38 38 GLU CA C 13 59.22 0.05 . 1 . . . . 320 GLU CA . 17916 1 218 . 1 1 38 38 GLU CB C 13 29.48 0.05 . 1 . . . . 320 GLU CB . 17916 1 219 . 1 1 38 38 GLU N N 15 119.59 0.05 . 1 . . . . 320 GLU N . 17916 1 220 . 1 1 39 39 ARG H H 1 7.78 0.02 . 1 . . . . 321 ARG H . 17916 1 221 . 1 1 39 39 ARG HA H 1 4.33 0.02 . 1 . . . . 321 ARG HA . 17916 1 222 . 1 1 39 39 ARG C C 13 177.68 0.05 . 1 . . . . 321 ARG C . 17916 1 223 . 1 1 39 39 ARG CA C 13 56.63 0.05 . 1 . . . . 321 ARG CA . 17916 1 224 . 1 1 39 39 ARG CB C 13 30.62 0.05 . 1 . . . . 321 ARG CB . 17916 1 225 . 1 1 39 39 ARG N N 15 114.87 0.05 . 1 . . . . 321 ARG N . 17916 1 226 . 1 1 40 40 THR H H 1 7.94 0.02 . 1 . . . . 322 THR H . 17916 1 227 . 1 1 40 40 THR HA H 1 4.06 0.02 . 1 . . . . 322 THR HA . 17916 1 228 . 1 1 40 40 THR C C 13 175.56 0.05 . 1 . . . . 322 THR C . 17916 1 229 . 1 1 40 40 THR CA C 13 63.37 0.05 . 1 . . . . 322 THR CA . 17916 1 230 . 1 1 40 40 THR CB C 13 71.16 0.05 . 1 . . . . 322 THR CB . 17916 1 231 . 1 1 40 40 THR N N 15 105.09 0.05 . 1 . . . . 322 THR N . 17916 1 232 . 1 1 41 41 ARG H H 1 8.20 0.02 . 1 . . . . 323 ARG H . 17916 1 233 . 1 1 41 41 ARG HA H 1 4.01 0.02 . 1 . . . . 323 ARG HA . 17916 1 234 . 1 1 41 41 ARG C C 13 175.37 0.05 . 1 . . . . 323 ARG C . 17916 1 235 . 1 1 41 41 ARG CA C 13 57.18 0.05 . 1 . . . . 323 ARG CA . 17916 1 236 . 1 1 41 41 ARG CB C 13 26.97 0.05 . 1 . . . . 323 ARG CB . 17916 1 237 . 1 1 41 41 ARG N N 15 116.80 0.05 . 1 . . . . 323 ARG N . 17916 1 238 . 1 1 42 42 GLN H H 1 7.27 0.02 . 1 . . . . 324 GLN H . 17916 1 239 . 1 1 42 42 GLN CA C 13 52.50 0.05 . 1 . . . . 324 GLN CA . 17916 1 240 . 1 1 42 42 GLN CB C 13 29.03 0.05 . 1 . . . . 324 GLN CB . 17916 1 241 . 1 1 42 42 GLN N N 15 116.33 0.05 . 1 . . . . 324 GLN N . 17916 1 242 . 1 1 43 43 PRO HA H 1 4.33 0.02 . 1 . . . . 325 PRO HA . 17916 1 243 . 1 1 43 43 PRO C C 13 177.91 0.05 . 1 . . . . 325 PRO C . 17916 1 244 . 1 1 43 43 PRO CA C 13 62.53 0.05 . 1 . . . . 325 PRO CA . 17916 1 245 . 1 1 43 43 PRO CB C 13 32.31 0.05 . 1 . . . . 325 PRO CB . 17916 1 246 . 1 1 44 44 GLU H H 1 9.16 0.02 . 1 . . . . 326 GLU H . 17916 1 247 . 1 1 44 44 GLU HA H 1 3.63 0.02 . 1 . . . . 326 GLU HA . 17916 1 248 . 1 1 44 44 GLU C C 13 177.74 0.05 . 1 . . . . 326 GLU C . 17916 1 249 . 1 1 44 44 GLU CA C 13 61.25 0.05 . 1 . . . . 326 GLU CA . 17916 1 250 . 1 1 44 44 GLU CB C 13 30.25 0.05 . 1 . . . . 326 GLU CB . 17916 1 251 . 1 1 44 44 GLU N N 15 124.41 0.05 . 1 . . . . 326 GLU N . 17916 1 252 . 1 1 45 45 ALA H H 1 9.04 0.02 . 1 . . . . 327 ALA H . 17916 1 253 . 1 1 45 45 ALA HA H 1 4.10 0.02 . 1 . . . . 327 ALA HA . 17916 1 254 . 1 1 45 45 ALA C C 13 180.36 0.05 . 1 . . . . 327 ALA C . 17916 1 255 . 1 1 45 45 ALA CA C 13 55.58 0.05 . 1 . . . . 327 ALA CA . 17916 1 256 . 1 1 45 45 ALA CB C 13 18.21 0.05 . 1 . . . . 327 ALA CB . 17916 1 257 . 1 1 45 45 ALA N N 15 118.83 0.05 . 1 . . . . 327 ALA N . 17916 1 258 . 1 1 46 46 HIS H H 1 7.00 0.02 . 1 . . . . 328 HIS H . 17916 1 259 . 1 1 46 46 HIS HA H 1 4.65 0.02 . 1 . . . . 328 HIS HA . 17916 1 260 . 1 1 46 46 HIS C C 13 178.05 0.05 . 1 . . . . 328 HIS C . 17916 1 261 . 1 1 46 46 HIS CA C 13 57.26 0.05 . 1 . . . . 328 HIS CA . 17916 1 262 . 1 1 46 46 HIS CB C 13 31.25 0.05 . 1 . . . . 328 HIS CB . 17916 1 263 . 1 1 46 46 HIS N N 15 116.35 0.05 . 1 . . . . 328 HIS N . 17916 1 264 . 1 1 47 47 LEU H H 1 7.86 0.02 . 1 . . . . 329 LEU H . 17916 1 265 . 1 1 47 47 LEU HA H 1 3.77 0.02 . 1 . . . . 329 LEU HA . 17916 1 266 . 1 1 47 47 LEU C C 13 178.71 0.05 . 1 . . . . 329 LEU C . 17916 1 267 . 1 1 47 47 LEU CA C 13 58.04 0.05 . 1 . . . . 329 LEU CA . 17916 1 268 . 1 1 47 47 LEU CB C 13 42.65 0.05 . 1 . . . . 329 LEU CB . 17916 1 269 . 1 1 47 47 LEU N N 15 118.50 0.05 . 1 . . . . 329 LEU N . 17916 1 270 . 1 1 48 48 LYS H H 1 8.83 0.02 . 1 . . . . 330 LYS H . 17916 1 271 . 1 1 48 48 LYS HA H 1 3.68 0.02 . 1 . . . . 330 LYS HA . 17916 1 272 . 1 1 48 48 LYS C C 13 177.21 0.05 . 1 . . . . 330 LYS C . 17916 1 273 . 1 1 48 48 LYS CA C 13 60.55 0.05 . 1 . . . . 330 LYS CA . 17916 1 274 . 1 1 48 48 LYS CB C 13 32.33 0.05 . 1 . . . . 330 LYS CB . 17916 1 275 . 1 1 48 48 LYS N N 15 118.83 0.05 . 1 . . . . 330 LYS N . 17916 1 276 . 1 1 49 49 GLU H H 1 7.50 0.02 . 1 . . . . 331 GLU H . 17916 1 277 . 1 1 49 49 GLU HA H 1 4.12 0.02 . 1 . . . . 331 GLU HA . 17916 1 278 . 1 1 49 49 GLU C C 13 179.19 0.05 . 1 . . . . 331 GLU C . 17916 1 279 . 1 1 49 49 GLU CA C 13 59.35 0.05 . 1 . . . . 331 GLU CA . 17916 1 280 . 1 1 49 49 GLU CB C 13 29.67 0.05 . 1 . . . . 331 GLU CB . 17916 1 281 . 1 1 49 49 GLU N N 15 116.89 0.05 . 1 . . . . 331 GLU N . 17916 1 282 . 1 1 50 50 CYS H H 1 7.13 0.02 . 1 . . . . 332 CYS H . 17916 1 283 . 1 1 50 50 CYS HA H 1 4.06 0.02 . 1 . . . . 332 CYS HA . 17916 1 284 . 1 1 50 50 CYS C C 13 176.58 0.05 . 1 . . . . 332 CYS C . 17916 1 285 . 1 1 50 50 CYS CA C 13 63.44 0.05 . 1 . . . . 332 CYS CA . 17916 1 286 . 1 1 50 50 CYS CB C 13 27.83 0.05 . 1 . . . . 332 CYS CB . 17916 1 287 . 1 1 50 50 CYS N N 15 114.86 0.05 . 1 . . . . 332 CYS N . 17916 1 288 . 1 1 51 51 LEU H H 1 8.72 0.02 . 1 . . . . 333 LEU H . 17916 1 289 . 1 1 51 51 LEU HA H 1 3.62 0.02 . 1 . . . . 333 LEU HA . 17916 1 290 . 1 1 51 51 LEU C C 13 178.34 0.05 . 1 . . . . 333 LEU C . 17916 1 291 . 1 1 51 51 LEU CA C 13 57.81 0.05 . 1 . . . . 333 LEU CA . 17916 1 292 . 1 1 51 51 LEU CB C 13 41.74 0.05 . 1 . . . . 333 LEU CB . 17916 1 293 . 1 1 51 51 LEU N N 15 121.55 0.05 . 1 . . . . 333 LEU N . 17916 1 294 . 1 1 52 52 ASP H H 1 8.36 0.02 . 1 . . . . 334 ASP H . 17916 1 295 . 1 1 52 52 ASP HA H 1 4.54 0.02 . 1 . . . . 334 ASP HA . 17916 1 296 . 1 1 52 52 ASP C C 13 177.86 0.05 . 1 . . . . 334 ASP C . 17916 1 297 . 1 1 52 52 ASP CA C 13 56.78 0.05 . 1 . . . . 334 ASP CA . 17916 1 298 . 1 1 52 52 ASP CB C 13 40.41 0.05 . 1 . . . . 334 ASP CB . 17916 1 299 . 1 1 52 52 ASP N N 15 116.60 0.05 . 1 . . . . 334 ASP N . 17916 1 300 . 1 1 53 53 LYS H H 1 7.30 0.02 . 1 . . . . 335 LYS H . 17916 1 301 . 1 1 53 53 LYS HA H 1 4.39 0.02 . 1 . . . . 335 LYS HA . 17916 1 302 . 1 1 53 53 LYS C C 13 177.83 0.05 . 1 . . . . 335 LYS C . 17916 1 303 . 1 1 53 53 LYS CA C 13 57.87 0.05 . 1 . . . . 335 LYS CA . 17916 1 304 . 1 1 53 53 LYS CB C 13 33.53 0.05 . 1 . . . . 335 LYS CB . 17916 1 305 . 1 1 53 53 LYS N N 15 116.03 0.05 . 1 . . . . 335 LYS N . 17916 1 306 . 1 1 54 54 VAL H H 1 6.97 0.02 . 1 . . . . 336 VAL H . 17916 1 307 . 1 1 54 54 VAL HA H 1 4.63 0.02 . 1 . . . . 336 VAL HA . 17916 1 308 . 1 1 54 54 VAL C C 13 174.02 0.05 . 1 . . . . 336 VAL C . 17916 1 309 . 1 1 54 54 VAL CA C 13 60.46 0.05 . 1 . . . . 336 VAL CA . 17916 1 310 . 1 1 54 54 VAL CB C 13 33.75 0.05 . 1 . . . . 336 VAL CB . 17916 1 311 . 1 1 54 54 VAL N N 15 104.47 0.05 . 1 . . . . 336 VAL N . 17916 1 312 . 1 1 55 55 ALA H H 1 8.82 0.02 . 1 . . . . 337 ALA H . 17916 1 313 . 1 1 55 55 ALA HA H 1 5.36 0.02 . 1 . . . . 337 ALA HA . 17916 1 314 . 1 1 55 55 ALA C C 13 175.62 0.05 . 1 . . . . 337 ALA C . 17916 1 315 . 1 1 55 55 ALA CA C 13 51.10 0.05 . 1 . . . . 337 ALA CA . 17916 1 316 . 1 1 55 55 ALA CB C 13 25.07 0.05 . 1 . . . . 337 ALA CB . 17916 1 317 . 1 1 55 55 ALA N N 15 124.05 0.05 . 1 . . . . 337 ALA N . 17916 1 318 . 1 1 56 56 THR H H 1 9.21 0.02 . 1 . . . . 338 THR H . 17916 1 319 . 1 1 56 56 THR HA H 1 4.69 0.02 . 1 . . . . 338 THR HA . 17916 1 320 . 1 1 56 56 THR C C 13 171.88 0.05 . 1 . . . . 338 THR C . 17916 1 321 . 1 1 56 56 THR CA C 13 60.27 0.05 . 1 . . . . 338 THR CA . 17916 1 322 . 1 1 56 56 THR CB C 13 71.46 0.05 . 1 . . . . 338 THR CB . 17916 1 323 . 1 1 56 56 THR N N 15 114.11 0.05 . 1 . . . . 338 THR N . 17916 1 324 . 1 1 57 57 LEU H H 1 8.35 0.02 . 1 . . . . 339 LEU H . 17916 1 325 . 1 1 57 57 LEU HA H 1 4.04 0.02 . 1 . . . . 339 LEU HA . 17916 1 326 . 1 1 57 57 LEU C C 13 176.10 0.05 . 1 . . . . 339 LEU C . 17916 1 327 . 1 1 57 57 LEU CA C 13 54.12 0.05 . 1 . . . . 339 LEU CA . 17916 1 328 . 1 1 57 57 LEU CB C 13 42.74 0.05 . 1 . . . . 339 LEU CB . 17916 1 329 . 1 1 57 57 LEU N N 15 127.37 0.05 . 1 . . . . 339 LEU N . 17916 1 330 . 1 1 58 58 VAL H H 1 8.93 0.02 . 1 . . . . 340 VAL H . 17916 1 331 . 1 1 58 58 VAL HA H 1 3.82 0.02 . 1 . . . . 340 VAL HA . 17916 1 332 . 1 1 58 58 VAL C C 13 177.48 0.05 . 1 . . . . 340 VAL C . 17916 1 333 . 1 1 58 58 VAL CA C 13 63.56 0.05 . 1 . . . . 340 VAL CA . 17916 1 334 . 1 1 58 58 VAL CB C 13 31.44 0.05 . 1 . . . . 340 VAL CB . 17916 1 335 . 1 1 58 58 VAL N N 15 131.00 0.05 . 1 . . . . 340 VAL N . 17916 1 336 . 1 1 59 59 LYS H H 1 8.76 0.02 . 1 . . . . 341 LYS H . 17916 1 337 . 1 1 59 59 LYS HA H 1 4.04 0.02 . 1 . . . . 341 LYS HA . 17916 1 338 . 1 1 59 59 LYS C C 13 175.37 0.05 . 1 . . . . 341 LYS C . 17916 1 339 . 1 1 59 59 LYS CA C 13 56.74 0.05 . 1 . . . . 341 LYS CA . 17916 1 340 . 1 1 59 59 LYS CB C 13 34.00 0.05 . 1 . . . . 341 LYS CB . 17916 1 341 . 1 1 59 59 LYS N N 15 125.27 0.05 . 1 . . . . 341 LYS N . 17916 1 342 . 1 1 60 60 LYS H H 1 7.35 0.02 . 1 . . . . 342 LYS H . 17916 1 343 . 1 1 60 60 LYS HA H 1 4.59 0.02 . 1 . . . . 342 LYS HA . 17916 1 344 . 1 1 60 60 LYS C C 13 175.41 0.05 . 1 . . . . 342 LYS C . 17916 1 345 . 1 1 60 60 LYS CA C 13 54.96 0.05 . 1 . . . . 342 LYS CA . 17916 1 346 . 1 1 60 60 LYS CB C 13 36.18 0.05 . 1 . . . . 342 LYS CB . 17916 1 347 . 1 1 60 60 LYS N N 15 116.68 0.05 . 1 . . . . 342 LYS N . 17916 1 348 . 1 1 61 61 GLY H H 1 8.69 0.02 . 1 . . . . 343 GLY H . 17916 1 349 . 1 1 61 61 GLY HA2 H 1 4.40 0.02 . 2 . . . . 343 GLY HA2 . 17916 1 350 . 1 1 61 61 GLY HA3 H 1 3.77 0.02 . 2 . . . . 343 GLY HA3 . 17916 1 351 . 1 1 61 61 GLY CA C 13 44.92 0.05 . 1 . . . . 343 GLY CA . 17916 1 352 . 1 1 61 61 GLY N N 15 109.79 0.05 . 1 . . . . 343 GLY N . 17916 1 353 . 1 1 62 62 PRO HA H 1 4.05 0.02 . 1 . . . . 344 PRO HA . 17916 1 354 . 1 1 62 62 PRO C C 13 177.50 0.05 . 1 . . . . 344 PRO C . 17916 1 355 . 1 1 62 62 PRO CA C 13 64.28 0.05 . 1 . . . . 344 PRO CA . 17916 1 356 . 1 1 62 62 PRO CB C 13 31.46 0.05 . 1 . . . . 344 PRO CB . 17916 1 357 . 1 1 63 63 TYR H H 1 8.62 0.02 . 1 . . . . 345 TYR H . 17916 1 358 . 1 1 63 63 TYR HA H 1 4.31 0.02 . 1 . . . . 345 TYR HA . 17916 1 359 . 1 1 63 63 TYR C C 13 172.96 0.05 . 1 . . . . 345 TYR C . 17916 1 360 . 1 1 63 63 TYR CA C 13 56.22 0.05 . 1 . . . . 345 TYR CA . 17916 1 361 . 1 1 63 63 TYR CB C 13 37.18 0.05 . 1 . . . . 345 TYR CB . 17916 1 362 . 1 1 63 63 TYR N N 15 117.83 0.05 . 1 . . . . 345 TYR N . 17916 1 363 . 1 1 64 64 ALA H H 1 6.94 0.02 . 1 . . . . 346 ALA H . 17916 1 364 . 1 1 64 64 ALA HA H 1 3.21 0.02 . 1 . . . . 346 ALA HA . 17916 1 365 . 1 1 64 64 ALA C C 13 177.53 0.05 . 1 . . . . 346 ALA C . 17916 1 366 . 1 1 64 64 ALA CA C 13 53.58 0.05 . 1 . . . . 346 ALA CA . 17916 1 367 . 1 1 64 64 ALA CB C 13 18.07 0.05 . 1 . . . . 346 ALA CB . 17916 1 368 . 1 1 64 64 ALA N N 15 118.98 0.05 . 1 . . . . 346 ALA N . 17916 1 369 . 1 1 65 65 PHE H H 1 8.75 0.02 . 1 . . . . 347 PHE H . 17916 1 370 . 1 1 65 65 PHE HA H 1 3.81 0.02 . 1 . . . . 347 PHE HA . 17916 1 371 . 1 1 65 65 PHE C C 13 174.41 0.05 . 1 . . . . 347 PHE C . 17916 1 372 . 1 1 65 65 PHE CA C 13 60.48 0.05 . 1 . . . . 347 PHE CA . 17916 1 373 . 1 1 65 65 PHE CB C 13 35.66 0.05 . 1 . . . . 347 PHE CB . 17916 1 374 . 1 1 65 65 PHE N N 15 113.63 0.05 . 1 . . . . 347 PHE N . 17916 1 375 . 1 1 66 66 LYS H H 1 8.00 0.02 . 1 . . . . 348 LYS H . 17916 1 376 . 1 1 66 66 LYS HA H 1 4.68 0.02 . 1 . . . . 348 LYS HA . 17916 1 377 . 1 1 66 66 LYS C C 13 174.10 0.05 . 1 . . . . 348 LYS C . 17916 1 378 . 1 1 66 66 LYS CA C 13 55.26 0.05 . 1 . . . . 348 LYS CA . 17916 1 379 . 1 1 66 66 LYS CB C 13 35.44 0.05 . 1 . . . . 348 LYS CB . 17916 1 380 . 1 1 66 66 LYS N N 15 118.03 0.05 . 1 . . . . 348 LYS N . 17916 1 381 . 1 1 67 67 TYR H H 1 9.53 0.02 . 1 . . . . 349 TYR H . 17916 1 382 . 1 1 67 67 TYR HA H 1 5.44 0.02 . 1 . . . . 349 TYR HA . 17916 1 383 . 1 1 67 67 TYR C C 13 176.27 0.05 . 1 . . . . 349 TYR C . 17916 1 384 . 1 1 67 67 TYR CA C 13 58.35 0.05 . 1 . . . . 349 TYR CA . 17916 1 385 . 1 1 67 67 TYR CB C 13 41.85 0.05 . 1 . . . . 349 TYR CB . 17916 1 386 . 1 1 67 67 TYR N N 15 118.55 0.05 . 1 . . . . 349 TYR N . 17916 1 387 . 1 1 68 68 THR H H 1 8.84 0.02 . 1 . . . . 350 THR H . 17916 1 388 . 1 1 68 68 THR HA H 1 5.02 0.02 . 1 . . . . 350 THR HA . 17916 1 389 . 1 1 68 68 THR C C 13 172.27 0.05 . 1 . . . . 350 THR C . 17916 1 390 . 1 1 68 68 THR CA C 13 59.73 0.05 . 1 . . . . 350 THR CA . 17916 1 391 . 1 1 68 68 THR CB C 13 72.15 0.05 . 1 . . . . 350 THR CB . 17916 1 392 . 1 1 68 68 THR N N 15 113.85 0.05 . 1 . . . . 350 THR N . 17916 1 393 . 1 1 69 69 LEU H H 1 7.91 0.02 . 1 . . . . 351 LEU H . 17916 1 394 . 1 1 69 69 LEU HA H 1 3.99 0.02 . 1 . . . . 351 LEU HA . 17916 1 395 . 1 1 69 69 LEU C C 13 177.81 0.05 . 1 . . . . 351 LEU C . 17916 1 396 . 1 1 69 69 LEU CA C 13 55.71 0.05 . 1 . . . . 351 LEU CA . 17916 1 397 . 1 1 69 69 LEU CB C 13 42.46 0.05 . 1 . . . . 351 LEU CB . 17916 1 398 . 1 1 69 69 LEU N N 15 125.01 0.05 . 1 . . . . 351 LEU N . 17916 1 399 . 1 1 70 70 ARG H H 1 8.75 0.02 . 1 . . . . 352 ARG H . 17916 1 400 . 1 1 70 70 ARG HA H 1 3.97 0.02 . 1 . . . . 352 ARG HA . 17916 1 401 . 1 1 70 70 ARG CA C 13 55.84 0.05 . 1 . . . . 352 ARG CA . 17916 1 402 . 1 1 70 70 ARG CB C 13 29.34 0.05 . 1 . . . . 352 ARG CB . 17916 1 403 . 1 1 70 70 ARG N N 15 122.05 0.05 . 1 . . . . 352 ARG N . 17916 1 404 . 1 1 71 71 PRO HA H 1 4.02 0.02 . 1 . . . . 353 PRO HA . 17916 1 405 . 1 1 71 71 PRO C C 13 178.54 0.05 . 1 . . . . 353 PRO C . 17916 1 406 . 1 1 71 71 PRO CA C 13 65.90 0.05 . 1 . . . . 353 PRO CA . 17916 1 407 . 1 1 71 71 PRO CB C 13 31.88 0.05 . 1 . . . . 353 PRO CB . 17916 1 408 . 1 1 72 72 GLU H H 1 10.19 0.02 . 1 . . . . 354 GLU H . 17916 1 409 . 1 1 72 72 GLU HA H 1 4.01 0.02 . 1 . . . . 354 GLU HA . 17916 1 410 . 1 1 72 72 GLU C C 13 176.69 0.05 . 1 . . . . 354 GLU C . 17916 1 411 . 1 1 72 72 GLU CA C 13 58.61 0.05 . 1 . . . . 354 GLU CA . 17916 1 412 . 1 1 72 72 GLU CB C 13 27.56 0.05 . 1 . . . . 354 GLU CB . 17916 1 413 . 1 1 72 72 GLU N N 15 116.61 0.05 . 1 . . . . 354 GLU N . 17916 1 414 . 1 1 73 73 TYR H H 1 7.72 0.02 . 1 . . . . 355 TYR H . 17916 1 415 . 1 1 73 73 TYR HA H 1 4.81 0.02 . 1 . . . . 355 TYR HA . 17916 1 416 . 1 1 73 73 TYR C C 13 175.59 0.05 . 1 . . . . 355 TYR C . 17916 1 417 . 1 1 73 73 TYR CA C 13 57.88 0.05 . 1 . . . . 355 TYR CA . 17916 1 418 . 1 1 73 73 TYR CB C 13 39.67 0.05 . 1 . . . . 355 TYR CB . 17916 1 419 . 1 1 73 73 TYR N N 15 117.36 0.05 . 1 . . . . 355 TYR N . 17916 1 420 . 1 1 74 74 LYS H H 1 7.61 0.02 . 1 . . . . 356 LYS H . 17916 1 421 . 1 1 74 74 LYS HA H 1 4.01 0.02 . 1 . . . . 356 LYS HA . 17916 1 422 . 1 1 74 74 LYS CA C 13 57.97 0.05 . 1 . . . . 356 LYS CA . 17916 1 423 . 1 1 74 74 LYS CB C 13 33.37 0.05 . 1 . . . . 356 LYS CB . 17916 1 424 . 1 1 74 74 LYS N N 15 120.92 0.05 . 1 . . . . 356 LYS N . 17916 1 425 . 1 1 75 75 LYS H H 1 8.22 0.02 . 1 . . . . 357 LYS H . 17916 1 426 . 1 1 75 75 LYS HA H 1 4.11 0.02 . 1 . . . . 357 LYS HA . 17916 1 427 . 1 1 75 75 LYS C C 13 176.31 0.05 . 1 . . . . 357 LYS C . 17916 1 428 . 1 1 75 75 LYS CA C 13 56.42 0.05 . 1 . . . . 357 LYS CA . 17916 1 429 . 1 1 75 75 LYS CB C 13 31.54 0.05 . 1 . . . . 357 LYS CB . 17916 1 430 . 1 1 75 75 LYS N N 15 117.00 0.05 . 1 . . . . 357 LYS N . 17916 1 431 . 1 1 76 76 LEU H H 1 7.65 0.02 . 1 . . . . 358 LEU H . 17916 1 432 . 1 1 76 76 LEU HA H 1 4.29 0.02 . 1 . . . . 358 LEU HA . 17916 1 433 . 1 1 76 76 LEU C C 13 178.30 0.05 . 1 . . . . 358 LEU C . 17916 1 434 . 1 1 76 76 LEU CA C 13 55.17 0.05 . 1 . . . . 358 LEU CA . 17916 1 435 . 1 1 76 76 LEU CB C 13 42.74 0.05 . 1 . . . . 358 LEU CB . 17916 1 436 . 1 1 76 76 LEU N N 15 119.90 0.05 . 1 . . . . 358 LEU N . 17916 1 437 . 1 1 77 77 LYS H H 1 8.86 0.02 . 1 . . . . 359 LYS H . 17916 1 438 . 1 1 77 77 LYS HA H 1 4.33 0.02 . 1 . . . . 359 LYS HA . 17916 1 439 . 1 1 77 77 LYS C C 13 177.66 0.05 . 1 . . . . 359 LYS C . 17916 1 440 . 1 1 77 77 LYS CA C 13 56.01 0.05 . 1 . . . . 359 LYS CA . 17916 1 441 . 1 1 77 77 LYS CB C 13 32.83 0.05 . 1 . . . . 359 LYS CB . 17916 1 442 . 1 1 77 77 LYS N N 15 123.37 0.05 . 1 . . . . 359 LYS N . 17916 1 443 . 1 1 78 78 GLU H H 1 8.81 0.02 . 1 . . . . 360 GLU H . 17916 1 444 . 1 1 78 78 GLU HA H 1 3.85 0.02 . 1 . . . . 360 GLU HA . 17916 1 445 . 1 1 78 78 GLU C C 13 178.60 0.05 . 1 . . . . 360 GLU C . 17916 1 446 . 1 1 78 78 GLU CA C 13 60.43 0.05 . 1 . . . . 360 GLU CA . 17916 1 447 . 1 1 78 78 GLU CB C 13 29.61 0.05 . 1 . . . . 360 GLU CB . 17916 1 448 . 1 1 78 78 GLU N N 15 122.36 0.05 . 1 . . . . 360 GLU N . 17916 1 449 . 1 1 79 79 GLU H H 1 9.21 0.02 . 1 . . . . 361 GLU H . 17916 1 450 . 1 1 79 79 GLU HA H 1 4.08 0.02 . 1 . . . . 361 GLU HA . 17916 1 451 . 1 1 79 79 GLU C C 13 178.74 0.05 . 1 . . . . 361 GLU C . 17916 1 452 . 1 1 79 79 GLU CA C 13 59.30 0.05 . 1 . . . . 361 GLU CA . 17916 1 453 . 1 1 79 79 GLU CB C 13 29.11 0.05 . 1 . . . . 361 GLU CB . 17916 1 454 . 1 1 79 79 GLU N N 15 118.02 0.05 . 1 . . . . 361 GLU N . 17916 1 455 . 1 1 80 80 GLU H H 1 7.63 0.02 . 1 . . . . 362 GLU H . 17916 1 456 . 1 1 80 80 GLU C C 13 178.86 0.05 . 1 . . . . 362 GLU C . 17916 1 457 . 1 1 80 80 GLU CA C 13 58.06 0.05 . 1 . . . . 362 GLU CA . 17916 1 458 . 1 1 80 80 GLU CB C 13 30.37 0.05 . 1 . . . . 362 GLU CB . 17916 1 459 . 1 1 80 80 GLU N N 15 119.66 0.05 . 1 . . . . 362 GLU N . 17916 1 460 . 1 1 81 81 ARG H H 1 8.39 0.02 . 1 . . . . 363 ARG H . 17916 1 461 . 1 1 81 81 ARG HA H 1 3.79 0.02 . 1 . . . . 363 ARG HA . 17916 1 462 . 1 1 81 81 ARG C C 13 177.47 0.05 . 1 . . . . 363 ARG C . 17916 1 463 . 1 1 81 81 ARG CA C 13 59.47 0.05 . 1 . . . . 363 ARG CA . 17916 1 464 . 1 1 81 81 ARG CB C 13 30.16 0.05 . 1 . . . . 363 ARG CB . 17916 1 465 . 1 1 81 81 ARG N N 15 121.61 0.05 . 1 . . . . 363 ARG N . 17916 1 466 . 1 1 82 82 LYS H H 1 7.98 0.02 . 1 . . . . 364 LYS H . 17916 1 467 . 1 1 82 82 LYS HA H 1 3.96 0.02 . 1 . . . . 364 LYS HA . 17916 1 468 . 1 1 82 82 LYS C C 13 178.92 0.05 . 1 . . . . 364 LYS C . 17916 1 469 . 1 1 82 82 LYS CA C 13 59.38 0.05 . 1 . . . . 364 LYS CA . 17916 1 470 . 1 1 82 82 LYS CB C 13 32.34 0.05 . 1 . . . . 364 LYS CB . 17916 1 471 . 1 1 82 82 LYS N N 15 118.77 0.05 . 1 . . . . 364 LYS N . 17916 1 472 . 1 1 83 83 ALA H H 1 7.81 0.02 . 1 . . . . 365 ALA H . 17916 1 473 . 1 1 83 83 ALA HA H 1 4.23 0.02 . 1 . . . . 365 ALA HA . 17916 1 474 . 1 1 83 83 ALA C C 13 179.85 0.05 . 1 . . . . 365 ALA C . 17916 1 475 . 1 1 83 83 ALA CA C 13 54.44 0.05 . 1 . . . . 365 ALA CA . 17916 1 476 . 1 1 83 83 ALA CB C 13 18.50 0.05 . 1 . . . . 365 ALA CB . 17916 1 477 . 1 1 83 83 ALA N N 15 121.65 0.05 . 1 . . . . 365 ALA N . 17916 1 478 . 1 1 84 84 THR H H 1 8.01 0.02 . 1 . . . . 366 THR H . 17916 1 479 . 1 1 84 84 THR HA H 1 4.14 0.02 . 1 . . . . 366 THR HA . 17916 1 480 . 1 1 84 84 THR C C 13 175.78 0.05 . 1 . . . . 366 THR C . 17916 1 481 . 1 1 84 84 THR CA C 13 65.38 0.05 . 1 . . . . 366 THR CA . 17916 1 482 . 1 1 84 84 THR CB C 13 69.32 0.05 . 1 . . . . 366 THR CB . 17916 1 483 . 1 1 84 84 THR N N 15 115.00 0.05 . 1 . . . . 366 THR N . 17916 1 484 . 1 1 85 85 LEU H H 1 8.25 0.02 . 1 . . . . 367 LEU H . 17916 1 485 . 1 1 85 85 LEU HA H 1 4.02 0.02 . 1 . . . . 367 LEU HA . 17916 1 486 . 1 1 85 85 LEU C C 13 178.54 0.05 . 1 . . . . 367 LEU C . 17916 1 487 . 1 1 85 85 LEU CA C 13 57.79 0.05 . 1 . . . . 367 LEU CA . 17916 1 488 . 1 1 85 85 LEU CB C 13 41.73 0.05 . 1 . . . . 367 LEU CB . 17916 1 489 . 1 1 85 85 LEU N N 15 121.54 0.05 . 1 . . . . 367 LEU N . 17916 1 490 . 1 1 86 86 GLY H H 1 7.89 0.02 . 1 . . . . 368 GLY H . 17916 1 491 . 1 1 86 86 GLY HA2 H 1 3.92 0.02 . 2 . . . . 368 GLY HA2 . 17916 1 492 . 1 1 86 86 GLY HA3 H 1 3.81 0.02 . 2 . . . . 368 GLY HA3 . 17916 1 493 . 1 1 86 86 GLY C C 13 175.20 0.05 . 1 . . . . 368 GLY C . 17916 1 494 . 1 1 86 86 GLY CA C 13 46.65 0.05 . 1 . . . . 368 GLY CA . 17916 1 495 . 1 1 86 86 GLY N N 15 105.53 0.05 . 1 . . . . 368 GLY N . 17916 1 496 . 1 1 87 87 GLU H H 1 7.84 0.02 . 1 . . . . 369 GLU H . 17916 1 497 . 1 1 87 87 GLU HA H 1 4.22 0.02 . 1 . . . . 369 GLU HA . 17916 1 498 . 1 1 87 87 GLU C C 13 178.39 0.05 . 1 . . . . 369 GLU C . 17916 1 499 . 1 1 87 87 GLU CA C 13 57.96 0.05 . 1 . . . . 369 GLU CA . 17916 1 500 . 1 1 87 87 GLU CB C 13 29.94 0.05 . 1 . . . . 369 GLU CB . 17916 1 501 . 1 1 87 87 GLU N N 15 120.45 0.05 . 1 . . . . 369 GLU N . 17916 1 502 . 1 1 88 88 LEU H H 1 8.07 0.02 . 1 . . . . 370 LEU H . 17916 1 503 . 1 1 88 88 LEU HA H 1 4.23 0.02 . 1 . . . . 370 LEU HA . 17916 1 504 . 1 1 88 88 LEU C C 13 177.63 0.05 . 1 . . . . 370 LEU C . 17916 1 505 . 1 1 88 88 LEU CA C 13 56.01 0.05 . 1 . . . . 370 LEU CA . 17916 1 506 . 1 1 88 88 LEU CB C 13 43.15 0.05 . 1 . . . . 370 LEU CB . 17916 1 507 . 1 1 88 88 LEU N N 15 119.59 0.05 . 1 . . . . 370 LEU N . 17916 1 508 . 1 1 89 89 ALA H H 1 7.96 0.02 . 1 . . . . 371 ALA H . 17916 1 509 . 1 1 89 89 ALA HA H 1 4.18 0.02 . 1 . . . . 371 ALA HA . 17916 1 510 . 1 1 89 89 ALA C C 13 176.93 0.05 . 1 . . . . 371 ALA C . 17916 1 511 . 1 1 89 89 ALA CA C 13 52.79 0.05 . 1 . . . . 371 ALA CA . 17916 1 512 . 1 1 89 89 ALA CB C 13 19.24 0.05 . 1 . . . . 371 ALA CB . 17916 1 513 . 1 1 89 89 ALA N N 15 121.12 0.05 . 1 . . . . 371 ALA N . 17916 1 514 . 1 1 90 90 ASP H H 1 7.93 0.02 . 1 . . . . 372 ASP H . 17916 1 515 . 1 1 90 90 ASP HA H 1 4.58 0.02 . 1 . . . . 372 ASP HA . 17916 1 516 . 1 1 90 90 ASP C C 13 176.13 0.05 . 1 . . . . 372 ASP C . 17916 1 517 . 1 1 90 90 ASP CA C 13 54.62 0.05 . 1 . . . . 372 ASP CA . 17916 1 518 . 1 1 90 90 ASP CB C 13 41.10 0.05 . 1 . . . . 372 ASP CB . 17916 1 519 . 1 1 90 90 ASP N N 15 118.57 0.05 . 1 . . . . 372 ASP N . 17916 1 520 . 1 1 91 91 GLU H H 1 8.22 0.02 . 1 . . . . 373 GLU H . 17916 1 521 . 1 1 91 91 GLU HA H 1 4.32 0.02 . 1 . . . . 373 GLU HA . 17916 1 522 . 1 1 91 91 GLU C C 13 176.38 0.05 . 1 . . . . 373 GLU C . 17916 1 523 . 1 1 91 91 GLU CA C 13 56.67 0.05 . 1 . . . . 373 GLU CA . 17916 1 524 . 1 1 91 91 GLU CB C 13 30.50 0.05 . 1 . . . . 373 GLU CB . 17916 1 525 . 1 1 91 91 GLU N N 15 120.60 0.05 . 1 . . . . 373 GLU N . 17916 1 526 . 1 1 92 92 GLN H H 1 8.51 0.02 . 1 . . . . 374 GLN H . 17916 1 527 . 1 1 92 92 GLN HA H 1 4.41 0.02 . 1 . . . . 374 GLN HA . 17916 1 528 . 1 1 92 92 GLN C C 13 175.42 0.05 . 1 . . . . 374 GLN C . 17916 1 529 . 1 1 92 92 GLN CA C 13 56.08 0.05 . 1 . . . . 374 GLN CA . 17916 1 530 . 1 1 92 92 GLN CB C 13 29.49 0.05 . 1 . . . . 374 GLN CB . 17916 1 531 . 1 1 92 92 GLN N N 15 122.06 0.05 . 1 . . . . 374 GLN N . 17916 1 532 . 1 1 93 93 THR H H 1 7.88 0.02 . 1 . . . . 375 THR H . 17916 1 533 . 1 1 93 93 THR CA C 13 63.30 0.05 . 1 . . . . 375 THR CA . 17916 1 534 . 1 1 93 93 THR CB C 13 70.74 0.05 . 1 . . . . 375 THR CB . 17916 1 535 . 1 1 93 93 THR N N 15 120.93 0.05 . 1 . . . . 375 THR N . 17916 1 stop_ save_