data_6099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6099 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments for the activation domain of the transcriptional activator VP16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-13 _Entry.Accession_date 2004-02-13 _Entry.Last_release_date 2004-09-28 _Entry.Original_release_date 2004-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Henry Jonker . . . 6099 2 Gert Folkers . . . 6099 3 Rainer Wechselberger . . . 6099 4 Rolf Boelens . . . 6099 5 Rob Kaptein . . . 6099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 6099 '15N chemical shifts' 73 6099 '1H chemical shifts' 294 6099 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-09-28 2004-02-13 original author . 6099 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6099 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural and functional studies on transcriptional activation - Interactions of the cofactor PC4 and activator VP16 ; _Citation.Status published _Citation.Type thesis _Citation.Journal_abbrev . _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 'Utrecht University' _Citation.Thesis_institution_city Utrecht _Citation.Thesis_institution_country 'The Netherlands' _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2003 _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 Henry Jonker . . . 6099 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'PC4 cofactor VP16 activator transcription' 6099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VP16 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VP16 _Assembly.Entry_ID 6099 _Assembly.ID 1 _Assembly.Name VP16ad _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6099 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'VP16 activation domain' 1 $VP16 . . . native . . . . . 6099 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID VP16 abbreviation 6099 1 VP16ad system 6099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VP16 _Entity.Sf_category entity _Entity.Sf_framecode VP16 _Entity.Entry_ID 6099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'herpes simplex virion protein 16' _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 ; STAPPTDVSLGDELHLDGED VAMAHADALDDFDLDMLGDG DSPGPGFTPHDSAPYGALDT ADFEFEQMFTDALGIDEYGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8394 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The amino terminal domain of VP16 contains two strong activation regions.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAL03259 . "XVE fusion protein [Moss transformation vector pPGX6]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 2 no DBJ BAM21067 . "XVE fusion protein [Moss transformation vector pPGX1]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 3 no DBJ BAM21069 . "XVE fusion protein [Moss transformation vector pPGX2]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 4 no DBJ BAM21071 . "XVE fusion protein [Moss transformation vector pPGX8]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 5 no DBJ BAM21075 . "XVE fusion protein [Moss transformation vector pPIG1b-LGXH]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 6 no EMBL CAA26913 . "unnamed protein product [Human herpesvirus 1]" . . . . . 100.00 490 98.75 98.75 2.04e-43 . . . . 6099 1 7 no EMBL CAA32298 . "tegument protein [Human herpesvirus 1]" . . . . . 100.00 490 98.75 98.75 2.04e-43 . . . . 6099 1 8 no EMBL CAI26306 . "tTAV protein [synthetic construct]" . . . . . 100.00 338 98.75 98.75 1.04e-44 . . . . 6099 1 9 no EMBL CAQ68373 . "GAL4-VP16-GR [Cloning vector pDEX00]" . . . . . 100.00 433 97.50 98.75 1.31e-48 . . . . 6099 1 10 no GB AAA45766 . "alpha trans inducing factor [Human herpesvirus 1]" . . . . . 100.00 479 98.75 98.75 1.40e-43 . . . . 6099 1 11 no GB AAB72093 . "chimeric tumour suppressor [synthetic construct]" . . . . . 100.00 363 97.50 98.75 1.18e-44 . . . . 6099 1 12 no GB AAF89185 . "GAL4/SV40/VP16 fusion protein [Cloning Vector pACT]" . . . . . 57.50 89 100.00 100.00 1.88e-10 . . . . 6099 1 13 no GB AAG02187 . "synthetic VP16-glucocorticoid/ecdysone receptor VgEcR [Cloning vector pFB-ERV]" . . . . . 97.50 756 98.72 98.72 1.96e-43 . . . . 6099 1 14 no GB AAG36984 . "XVE fusion protein [plant expression vector pER8]" . . . . . 100.00 483 97.50 98.75 4.72e-44 . . . . 6099 1 15 no REF NP_044650 . "transactivating tegument protein VP16 [Human herpesvirus 1]" . . . . . 100.00 490 98.75 98.75 2.04e-43 . . . . 6099 1 16 no SP P04486 . "RecName: Full=Tegument protein VP16; AltName: Full=Alpha trans-inducing protein; AltName: Full=Alpha-TIF; AltName: Full=ICP25; " . . . . . 100.00 490 98.75 98.75 1.94e-43 . . . . 6099 1 17 no SP P06492 . "RecName: Full=Tegument protein VP16; AltName: Full=Alpha trans-inducing protein; AltName: Full=Alpha-TIF; AltName: Full=ICP25; " . . . . . 100.00 490 98.75 98.75 2.04e-43 . . . . 6099 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'herpes simplex virion protein 16' common 6099 1 VP16 abbreviation 6099 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 1 411 SER . 6099 1 2 412 THR . 6099 1 3 413 ALA . 6099 1 4 414 PRO . 6099 1 5 415 PRO . 6099 1 6 416 THR . 6099 1 7 417 ASP . 6099 1 8 418 VAL . 6099 1 9 419 SER . 6099 1 10 420 LEU . 6099 1 11 421 GLY . 6099 1 12 422 ASP . 6099 1 13 423 GLU . 6099 1 14 424 LEU . 6099 1 15 425 HIS . 6099 1 16 426 LEU . 6099 1 17 427 ASP . 6099 1 18 428 GLY . 6099 1 19 429 GLU . 6099 1 20 430 ASP . 6099 1 21 431 VAL . 6099 1 22 432 ALA . 6099 1 23 433 MET . 6099 1 24 434 ALA . 6099 1 25 435 HIS . 6099 1 26 436 ALA . 6099 1 27 437 ASP . 6099 1 28 438 ALA . 6099 1 29 439 LEU . 6099 1 30 440 ASP . 6099 1 31 441 ASP . 6099 1 32 442 PHE . 6099 1 33 443 ASP . 6099 1 34 444 LEU . 6099 1 35 445 ASP . 6099 1 36 446 MET . 6099 1 37 447 LEU . 6099 1 38 448 GLY . 6099 1 39 449 ASP . 6099 1 40 450 GLY . 6099 1 41 451 ASP . 6099 1 42 452 SER . 6099 1 43 453 PRO . 6099 1 44 454 GLY . 6099 1 45 455 PRO . 6099 1 46 456 GLY . 6099 1 47 457 PHE . 6099 1 48 458 THR . 6099 1 49 459 PRO . 6099 1 50 460 HIS . 6099 1 51 461 ASP . 6099 1 52 462 SER . 6099 1 53 463 ALA . 6099 1 54 464 PRO . 6099 1 55 465 TYR . 6099 1 56 466 GLY . 6099 1 57 467 ALA . 6099 1 58 468 LEU . 6099 1 59 469 ASP . 6099 1 60 470 THR . 6099 1 61 471 ALA . 6099 1 62 472 ASP . 6099 1 63 473 PHE . 6099 1 64 474 GLU . 6099 1 65 475 PHE . 6099 1 66 476 GLU . 6099 1 67 477 GLN . 6099 1 68 478 MET . 6099 1 69 479 PHE . 6099 1 70 480 THR . 6099 1 71 481 ASP . 6099 1 72 482 ALA . 6099 1 73 483 LEU . 6099 1 74 484 GLY . 6099 1 75 485 ILE . 6099 1 76 486 ASP . 6099 1 77 487 GLU . 6099 1 78 488 TYR . 6099 1 79 489 GLY . 6099 1 80 490 GLY . 6099 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 . SER 1 1 6099 1 . THR 2 2 6099 1 . ALA 3 3 6099 1 . PRO 4 4 6099 1 . PRO 5 5 6099 1 . THR 6 6 6099 1 . ASP 7 7 6099 1 . VAL 8 8 6099 1 . SER 9 9 6099 1 . LEU 10 10 6099 1 . GLY 11 11 6099 1 . ASP 12 12 6099 1 . GLU 13 13 6099 1 . LEU 14 14 6099 1 . HIS 15 15 6099 1 . LEU 16 16 6099 1 . ASP 17 17 6099 1 . GLY 18 18 6099 1 . GLU 19 19 6099 1 . ASP 20 20 6099 1 . VAL 21 21 6099 1 . ALA 22 22 6099 1 . MET 23 23 6099 1 . ALA 24 24 6099 1 . HIS 25 25 6099 1 . ALA 26 26 6099 1 . ASP 27 27 6099 1 . ALA 28 28 6099 1 . LEU 29 29 6099 1 . ASP 30 30 6099 1 . ASP 31 31 6099 1 . PHE 32 32 6099 1 . ASP 33 33 6099 1 . LEU 34 34 6099 1 . ASP 35 35 6099 1 . MET 36 36 6099 1 . LEU 37 37 6099 1 . GLY 38 38 6099 1 . ASP 39 39 6099 1 . GLY 40 40 6099 1 . ASP 41 41 6099 1 . SER 42 42 6099 1 . PRO 43 43 6099 1 . GLY 44 44 6099 1 . PRO 45 45 6099 1 . GLY 46 46 6099 1 . PHE 47 47 6099 1 . THR 48 48 6099 1 . PRO 49 49 6099 1 . HIS 50 50 6099 1 . ASP 51 51 6099 1 . SER 52 52 6099 1 . ALA 53 53 6099 1 . PRO 54 54 6099 1 . TYR 55 55 6099 1 . GLY 56 56 6099 1 . ALA 57 57 6099 1 . LEU 58 58 6099 1 . ASP 59 59 6099 1 . THR 60 60 6099 1 . ALA 61 61 6099 1 . ASP 62 62 6099 1 . PHE 63 63 6099 1 . GLU 64 64 6099 1 . PHE 65 65 6099 1 . GLU 66 66 6099 1 . GLN 67 67 6099 1 . MET 68 68 6099 1 . PHE 69 69 6099 1 . THR 70 70 6099 1 . ASP 71 71 6099 1 . ALA 72 72 6099 1 . LEU 73 73 6099 1 . GLY 74 74 6099 1 . ILE 75 75 6099 1 . ASP 76 76 6099 1 . GLU 77 77 6099 1 . TYR 78 78 6099 1 . GLY 79 79 6099 1 . GLY 80 80 6099 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 6099 _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 $VP16 . 10298 virus . 'Herpes simplex' 'Herpes Simplex Virus' . . Viruses . Herpes simplex . . . . . . . . . . . . . . . . . . . . . 6099 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 6099 _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 $VP16 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . ; Overexpression of a GST fusion protein. The GST moiety was removed by thrombin cleavage. ; . . 6099 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_VP16_298K_LS _Sample.Sf_category sample _Sample.Sf_framecode sample_VP16_298K_LS _Sample.Entry_ID 6099 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'herpes simplex virion protein 16' '[U-13C; U-15N]' . . 1 $VP16 . . . 0.5 1 mM . . . . 6099 1 2 KCl . . . . . . . 50 . . mM . . . . 6099 1 3 KHxPO4 . . . . . . . 50 . . mM . . . . 6099 1 4 D5-Glycin . . . . . . . 2 . . M . . . . 6099 1 5 'Protease Inhibitor cocktail' . . . . . . . . . . mM . . . . 6099 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_VP16_298K_LS _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_VP16_298K_LS _Sample_condition_list.Entry_ID 6099 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.6 0.1 n/a 6099 1 temperature 298 1 K 6099 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6099 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6099 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6099 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analyses 6099 2 assignment 6099 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6099 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6099 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6099 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 6099 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 6099 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6099 _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 . 500 . . . 6099 1 2 spectrometer_2 Bruker Avance . 600 . . . 6099 1 3 spectrometer_3 Bruker Avance . 750 . . . 6099 1 4 spectrometer_4 Varian Inova . 500 . . . 6099 1 5 spectrometer_5 Varian Inova . 750 . . . 6099 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 6099 _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 'Spectrometer was locked on deuterated glycine.' . . . . . . . . . . . 1 $sample_VP16_298K_LS . . . 1 $condition_VP16_298K_LS . . . . . . . . . . . . . . . . . . . . . 6099 1 2 'Triple resonance probes.' . . . . . . . . . . . 1 $sample_VP16_298K_LS . . . 1 $condition_VP16_298K_LS . . . . . . . . . . . . . . . . . . . . . 6099 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6099 _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 H2O protons . . . . ppm 4.7 internal indirect 0.251449530 . . . 1 $entry_citation temperature . 1 $entry_citation 6099 1 H 1 H2O protons . . . . ppm 4.7 internal direct 1.000000000 internal . . 1 $entry_citation temperature . 1 $entry_citation 6099 1 N 15 H2O protons . . . . ppm 4.7 internal indirect 0.101329118 . . . 1 $entry_citation temperature . 1 $entry_citation 6099 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_chemical_shift_VP16_298K_LS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_VP16_298K_LS _Assigned_chem_shift_list.Entry_ID 6099 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_VP16_298K_LS _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_VP16_298K_LS . 6099 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 2 2 THR H H 1 8.12 . . 1 . . . . . . . . 6099 1 2 . 1 1 2 2 THR N N 15 114 . . 1 . . . . . . . . 6099 1 3 . 1 1 2 2 THR CA C 13 61.8 . . 1 . . . . . . . . 6099 1 4 . 1 1 2 2 THR HA H 1 4.25 . . 1 . . . . . . . . 6099 1 5 . 1 1 2 2 THR C C 13 173.9 . . 1 . . . . . . . . 6099 1 6 . 1 1 2 2 THR CB C 13 69.9 . . 1 . . . . . . . . 6099 1 7 . 1 1 2 2 THR HB H 1 4.16 . . 1 . . . . . . . . 6099 1 8 . 1 1 3 3 ALA H H 1 8.1 . . 1 . . . . . . . . 6099 1 9 . 1 1 3 3 ALA N N 15 127.8 . . 1 . . . . . . . . 6099 1 10 . 1 1 3 3 ALA CA C 13 50.5 . . 1 . . . . . . . . 6099 1 11 . 1 1 3 3 ALA HA H 1 4.58 . . 1 . . . . . . . . 6099 1 12 . 1 1 3 3 ALA C C 13 174.8 . . 1 . . . . . . . . 6099 1 13 . 1 1 3 3 ALA CB C 13 18.6 . . 1 . . . . . . . . 6099 1 14 . 1 1 3 3 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 6099 1 15 . 1 1 3 3 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 6099 1 16 . 1 1 3 3 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 6099 1 17 . 1 1 5 5 PRO CA C 13 63.1 . . 1 . . . . . . . . 6099 1 18 . 1 1 5 5 PRO HA H 1 4.46 . . 1 . . . . . . . . 6099 1 19 . 1 1 5 5 PRO C C 13 177.1 . . 1 . . . . . . . . 6099 1 20 . 1 1 5 5 PRO CB C 13 32.1 . . 1 . . . . . . . . 6099 1 21 . 1 1 5 5 PRO HB2 H 1 1.91 . . 1 . . . . . . . . 6099 1 22 . 1 1 5 5 PRO HB3 H 1 1.91 . . 1 . . . . . . . . 6099 1 23 . 1 1 6 6 THR H H 1 8.11 . . 1 . . . . . . . . 6099 1 24 . 1 1 6 6 THR N N 15 113.5 . . 1 . . . . . . . . 6099 1 25 . 1 1 6 6 THR CA C 13 61.9 . . 1 . . . . . . . . 6099 1 26 . 1 1 6 6 THR HA H 1 4.26 . . 1 . . . . . . . . 6099 1 27 . 1 1 6 6 THR C C 13 174.3 . . 1 . . . . . . . . 6099 1 28 . 1 1 6 6 THR CB C 13 70 . . 1 . . . . . . . . 6099 1 29 . 1 1 6 6 THR HB H 1 4.18 . . 1 . . . . . . . . 6099 1 30 . 1 1 7 7 ASP H H 1 8.28 . . 1 . . . . . . . . 6099 1 31 . 1 1 7 7 ASP N N 15 122.4 . . 1 . . . . . . . . 6099 1 32 . 1 1 7 7 ASP CA C 13 54.3 . . 1 . . . . . . . . 6099 1 33 . 1 1 7 7 ASP HA H 1 4.6 . . 1 . . . . . . . . 6099 1 34 . 1 1 7 7 ASP C C 13 176.1 . . 1 . . . . . . . . 6099 1 35 . 1 1 7 7 ASP CB C 13 41.1 . . 1 . . . . . . . . 6099 1 36 . 1 1 7 7 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 6099 1 37 . 1 1 7 7 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 6099 1 38 . 1 1 8 8 VAL H H 1 7.94 . . 1 . . . . . . . . 6099 1 39 . 1 1 8 8 VAL N N 15 119.7 . . 1 . . . . . . . . 6099 1 40 . 1 1 8 8 VAL CA C 13 62.3 . . 1 . . . . . . . . 6099 1 41 . 1 1 8 8 VAL HA H 1 4.11 . . 1 . . . . . . . . 6099 1 42 . 1 1 8 8 VAL C C 13 176.2 . . 1 . . . . . . . . 6099 1 43 . 1 1 8 8 VAL CB C 13 32.9 . . 1 . . . . . . . . 6099 1 44 . 1 1 8 8 VAL HB H 1 2.07 . . 1 . . . . . . . . 6099 1 45 . 1 1 9 9 SER H H 1 8.37 . . 1 . . . . . . . . 6099 1 46 . 1 1 9 9 SER N N 15 119.4 . . 1 . . . . . . . . 6099 1 47 . 1 1 9 9 SER CA C 13 58.5 . . 1 . . . . . . . . 6099 1 48 . 1 1 9 9 SER HA H 1 4.42 . . 1 . . . . . . . . 6099 1 49 . 1 1 9 9 SER C C 13 174.7 . . 1 . . . . . . . . 6099 1 50 . 1 1 9 9 SER CB C 13 63.8 . . 1 . . . . . . . . 6099 1 51 . 1 1 9 9 SER HB2 H 1 3.82 . . 1 . . . . . . . . 6099 1 52 . 1 1 9 9 SER HB3 H 1 3.82 . . 1 . . . . . . . . 6099 1 53 . 1 1 10 10 LEU H H 1 8.22 . . 1 . . . . . . . . 6099 1 54 . 1 1 10 10 LEU N N 15 124.4 . . 1 . . . . . . . . 6099 1 55 . 1 1 10 10 LEU CA C 13 55.6 . . 1 . . . . . . . . 6099 1 56 . 1 1 10 10 LEU HA H 1 4.3 . . 1 . . . . . . . . 6099 1 57 . 1 1 10 10 LEU C C 13 177.9 . . 1 . . . . . . . . 6099 1 58 . 1 1 10 10 LEU CB C 13 42.4 . . 1 . . . . . . . . 6099 1 59 . 1 1 10 10 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 6099 1 60 . 1 1 10 10 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 6099 1 61 . 1 1 11 11 GLY H H 1 8.28 . . 1 . . . . . . . . 6099 1 62 . 1 1 11 11 GLY N N 15 109.1 . . 1 . . . . . . . . 6099 1 63 . 1 1 11 11 GLY CA C 13 45.6 . . 1 . . . . . . . . 6099 1 64 . 1 1 11 11 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 6099 1 65 . 1 1 11 11 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 6099 1 66 . 1 1 11 11 GLY C C 13 174.1 . . 1 . . . . . . . . 6099 1 67 . 1 1 12 12 ASP H H 1 8.13 . . 1 . . . . . . . . 6099 1 68 . 1 1 12 12 ASP N N 15 120.4 . . 1 . . . . . . . . 6099 1 69 . 1 1 12 12 ASP CA C 13 54.4 . . 1 . . . . . . . . 6099 1 70 . 1 1 12 12 ASP HA H 1 4.57 . . 1 . . . . . . . . 6099 1 71 . 1 1 12 12 ASP C C 13 176.3 . . 1 . . . . . . . . 6099 1 72 . 1 1 12 12 ASP CB C 13 41.2 . . 1 . . . . . . . . 6099 1 73 . 1 1 12 12 ASP HB2 H 1 2.61 . . 1 . . . . . . . . 6099 1 74 . 1 1 12 12 ASP HB3 H 1 2.61 . . 1 . . . . . . . . 6099 1 75 . 1 1 13 13 GLU H H 1 8.31 . . 1 . . . . . . . . 6099 1 76 . 1 1 13 13 GLU N N 15 120.4 . . 1 . . . . . . . . 6099 1 77 . 1 1 13 13 GLU CA C 13 56.8 . . 1 . . . . . . . . 6099 1 78 . 1 1 13 13 GLU HA H 1 4.18 . . 1 . . . . . . . . 6099 1 79 . 1 1 13 13 GLU C C 13 176.1 . . 1 . . . . . . . . 6099 1 80 . 1 1 13 13 GLU CB C 13 30 . . 1 . . . . . . . . 6099 1 81 . 1 1 13 13 GLU HB2 H 1 1.89 . . 2 . . . . . . . . 6099 1 82 . 1 1 13 13 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 6099 1 83 . 1 1 14 14 LEU H H 1 8.05 . . 1 . . . . . . . . 6099 1 84 . 1 1 14 14 LEU N N 15 121.9 . . 1 . . . . . . . . 6099 1 85 . 1 1 14 14 LEU CA C 13 55.2 . . 1 . . . . . . . . 6099 1 86 . 1 1 14 14 LEU HA H 1 4.22 . . 1 . . . . . . . . 6099 1 87 . 1 1 14 14 LEU C C 13 176.9 . . 1 . . . . . . . . 6099 1 88 . 1 1 14 14 LEU CB C 13 42.5 . . 1 . . . . . . . . 6099 1 89 . 1 1 14 14 LEU HB2 H 1 1.42 . . 2 . . . . . . . . 6099 1 90 . 1 1 14 14 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 6099 1 91 . 1 1 15 15 HIS H H 1 8.39 . . 1 . . . . . . . . 6099 1 92 . 1 1 15 15 HIS N N 15 119.5 . . 1 . . . . . . . . 6099 1 93 . 1 1 15 15 HIS CA C 13 55.1 . . 1 . . . . . . . . 6099 1 94 . 1 1 15 15 HIS HA H 1 4.68 . . 1 . . . . . . . . 6099 1 95 . 1 1 15 15 HIS C C 13 174.2 . . 1 . . . . . . . . 6099 1 96 . 1 1 15 15 HIS CB C 13 28.8 . . 1 . . . . . . . . 6099 1 97 . 1 1 15 15 HIS HB2 H 1 3.11 . . 2 . . . . . . . . 6099 1 98 . 1 1 15 15 HIS HB3 H 1 3.22 . . 2 . . . . . . . . 6099 1 99 . 1 1 16 16 LEU H H 1 8.29 . . 1 . . . . . . . . 6099 1 100 . 1 1 16 16 LEU N N 15 123.7 . . 1 . . . . . . . . 6099 1 101 . 1 1 16 16 LEU CA C 13 55.1 . . 1 . . . . . . . . 6099 1 102 . 1 1 16 16 LEU HA H 1 4.33 . . 1 . . . . . . . . 6099 1 103 . 1 1 16 16 LEU C C 13 177 . . 1 . . . . . . . . 6099 1 104 . 1 1 16 16 LEU CB C 13 42.5 . . 1 . . . . . . . . 6099 1 105 . 1 1 16 16 LEU HB2 H 1 1.53 . . 1 . . . . . . . . 6099 1 106 . 1 1 16 16 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 6099 1 107 . 1 1 17 17 ASP H H 1 8.42 . . 1 . . . . . . . . 6099 1 108 . 1 1 17 17 ASP N N 15 121 . . 1 . . . . . . . . 6099 1 109 . 1 1 17 17 ASP CA C 13 54.5 . . 1 . . . . . . . . 6099 1 110 . 1 1 17 17 ASP HA H 1 4.56 . . 1 . . . . . . . . 6099 1 111 . 1 1 17 17 ASP C C 13 176.6 . . 1 . . . . . . . . 6099 1 112 . 1 1 17 17 ASP CB C 13 41.3 . . 1 . . . . . . . . 6099 1 113 . 1 1 17 17 ASP HB2 H 1 2.6 . . 2 . . . . . . . . 6099 1 114 . 1 1 17 17 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 6099 1 115 . 1 1 18 18 GLY H H 1 8.28 . . 1 . . . . . . . . 6099 1 116 . 1 1 18 18 GLY N N 15 109.2 . . 1 . . . . . . . . 6099 1 117 . 1 1 18 18 GLY CA C 13 45.7 . . 1 . . . . . . . . 6099 1 118 . 1 1 18 18 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 6099 1 119 . 1 1 18 18 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 6099 1 120 . 1 1 18 18 GLY C C 13 174.4 . . 1 . . . . . . . . 6099 1 121 . 1 1 19 19 GLU H H 1 8.19 . . 1 . . . . . . . . 6099 1 122 . 1 1 19 19 GLU N N 15 120.3 . . 1 . . . . . . . . 6099 1 123 . 1 1 19 19 GLU CA C 13 56.7 . . 1 . . . . . . . . 6099 1 124 . 1 1 19 19 GLU HA H 1 4.25 . . 1 . . . . . . . . 6099 1 125 . 1 1 19 19 GLU C C 13 176.2 . . 1 . . . . . . . . 6099 1 126 . 1 1 19 19 GLU CB C 13 30.2 . . 1 . . . . . . . . 6099 1 127 . 1 1 19 19 GLU HB2 H 1 1.9 . . 2 . . . . . . . . 6099 1 128 . 1 1 19 19 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 6099 1 129 . 1 1 20 20 ASP H H 1 8.37 . . 1 . . . . . . . . 6099 1 130 . 1 1 20 20 ASP N N 15 121.1 . . 1 . . . . . . . . 6099 1 131 . 1 1 20 20 ASP CA C 13 54.5 . . 1 . . . . . . . . 6099 1 132 . 1 1 20 20 ASP HA H 1 4.56 . . 1 . . . . . . . . 6099 1 133 . 1 1 20 20 ASP C C 13 176.4 . . 1 . . . . . . . . 6099 1 134 . 1 1 20 20 ASP CB C 13 41 . . 1 . . . . . . . . 6099 1 135 . 1 1 20 20 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 6099 1 136 . 1 1 20 20 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 6099 1 137 . 1 1 21 21 VAL H H 1 7.9 . . 1 . . . . . . . . 6099 1 138 . 1 1 21 21 VAL N N 15 120.2 . . 1 . . . . . . . . 6099 1 139 . 1 1 21 21 VAL CA C 13 62.7 . . 1 . . . . . . . . 6099 1 140 . 1 1 21 21 VAL HA H 1 4.01 . . 1 . . . . . . . . 6099 1 141 . 1 1 21 21 VAL C C 13 176.1 . . 1 . . . . . . . . 6099 1 142 . 1 1 21 21 VAL CB C 13 32.7 . . 1 . . . . . . . . 6099 1 143 . 1 1 21 21 VAL HB H 1 2.05 . . 1 . . . . . . . . 6099 1 144 . 1 1 22 22 ALA H H 1 8.21 . . 1 . . . . . . . . 6099 1 145 . 1 1 22 22 ALA N N 15 126.4 . . 1 . . . . . . . . 6099 1 146 . 1 1 22 22 ALA CA C 13 53 . . 1 . . . . . . . . 6099 1 147 . 1 1 22 22 ALA HA H 1 4.23 . . 1 . . . . . . . . 6099 1 148 . 1 1 22 22 ALA C C 13 178 . . 1 . . . . . . . . 6099 1 149 . 1 1 22 22 ALA CB C 13 19.1 . . 1 . . . . . . . . 6099 1 150 . 1 1 22 22 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 6099 1 151 . 1 1 22 22 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 6099 1 152 . 1 1 22 22 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 6099 1 153 . 1 1 23 23 MET H H 1 8.08 . . 1 . . . . . . . . 6099 1 154 . 1 1 23 23 MET N N 15 119 . . 1 . . . . . . . . 6099 1 155 . 1 1 23 23 MET CA C 13 55.6 . . 1 . . . . . . . . 6099 1 156 . 1 1 23 23 MET HA H 1 4.34 . . 1 . . . . . . . . 6099 1 157 . 1 1 23 23 MET C C 13 176 . . 1 . . . . . . . . 6099 1 158 . 1 1 23 23 MET CB C 13 33 . . 1 . . . . . . . . 6099 1 159 . 1 1 23 23 MET HB2 H 1 1.97 . . 1 . . . . . . . . 6099 1 160 . 1 1 23 23 MET HB3 H 1 1.97 . . 1 . . . . . . . . 6099 1 161 . 1 1 24 24 ALA H H 1 8.08 . . 1 . . . . . . . . 6099 1 162 . 1 1 24 24 ALA N N 15 124.5 . . 1 . . . . . . . . 6099 1 163 . 1 1 24 24 ALA CA C 13 52.8 . . 1 . . . . . . . . 6099 1 164 . 1 1 24 24 ALA HA H 1 4.2 . . 1 . . . . . . . . 6099 1 165 . 1 1 24 24 ALA C C 13 177.5 . . 1 . . . . . . . . 6099 1 166 . 1 1 24 24 ALA CB C 13 19.3 . . 1 . . . . . . . . 6099 1 167 . 1 1 24 24 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 6099 1 168 . 1 1 24 24 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 6099 1 169 . 1 1 24 24 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 6099 1 170 . 1 1 25 25 HIS H H 1 8.32 . . 1 . . . . . . . . 6099 1 171 . 1 1 25 25 HIS N N 15 117.3 . . 1 . . . . . . . . 6099 1 172 . 1 1 25 25 HIS CA C 13 55.2 . . 1 . . . . . . . . 6099 1 173 . 1 1 25 25 HIS HA H 1 4.63 . . 1 . . . . . . . . 6099 1 174 . 1 1 25 25 HIS C C 13 174.3 . . 1 . . . . . . . . 6099 1 175 . 1 1 25 25 HIS CB C 13 29.2 . . 1 . . . . . . . . 6099 1 176 . 1 1 25 25 HIS HB2 H 1 3.12 . . 2 . . . . . . . . 6099 1 177 . 1 1 25 25 HIS HB3 H 1 3.24 . . 2 . . . . . . . . 6099 1 178 . 1 1 26 26 ALA H H 1 8.24 . . 1 . . . . . . . . 6099 1 179 . 1 1 26 26 ALA N N 15 125.2 . . 1 . . . . . . . . 6099 1 180 . 1 1 26 26 ALA CA C 13 52.9 . . 1 . . . . . . . . 6099 1 181 . 1 1 26 26 ALA HA H 1 4.25 . . 1 . . . . . . . . 6099 1 182 . 1 1 26 26 ALA C C 13 177.3 . . 1 . . . . . . . . 6099 1 183 . 1 1 26 26 ALA CB C 13 19.5 . . 1 . . . . . . . . 6099 1 184 . 1 1 26 26 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 6099 1 185 . 1 1 26 26 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 6099 1 186 . 1 1 26 26 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 6099 1 187 . 1 1 27 27 ASP H H 1 8.31 . . 1 . . . . . . . . 6099 1 188 . 1 1 27 27 ASP N N 15 119.5 . . 1 . . . . . . . . 6099 1 189 . 1 1 27 27 ASP CA C 13 54.4 . . 1 . . . . . . . . 6099 1 190 . 1 1 27 27 ASP HA H 1 4.52 . . 1 . . . . . . . . 6099 1 191 . 1 1 27 27 ASP C C 13 175.8 . . 1 . . . . . . . . 6099 1 192 . 1 1 27 27 ASP CB C 13 41.2 . . 1 . . . . . . . . 6099 1 193 . 1 1 27 27 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 6099 1 194 . 1 1 27 27 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 6099 1 195 . 1 1 28 28 ALA H H 1 8.07 . . 1 . . . . . . . . 6099 1 196 . 1 1 28 28 ALA N N 15 123.8 . . 1 . . . . . . . . 6099 1 197 . 1 1 28 28 ALA CA C 13 52.6 . . 1 . . . . . . . . 6099 1 198 . 1 1 28 28 ALA HA H 1 4.27 . . 1 . . . . . . . . 6099 1 199 . 1 1 28 28 ALA C C 13 177.5 . . 1 . . . . . . . . 6099 1 200 . 1 1 28 28 ALA CB C 13 19.5 . . 1 . . . . . . . . 6099 1 201 . 1 1 28 28 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 6099 1 202 . 1 1 28 28 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 6099 1 203 . 1 1 28 28 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 6099 1 204 . 1 1 29 29 LEU H H 1 8.09 . . 1 . . . . . . . . 6099 1 205 . 1 1 29 29 LEU N N 15 120.8 . . 1 . . . . . . . . 6099 1 206 . 1 1 29 29 LEU CA C 13 55.3 . . 1 . . . . . . . . 6099 1 207 . 1 1 29 29 LEU HA H 1 4.27 . . 1 . . . . . . . . 6099 1 208 . 1 1 29 29 LEU C C 13 177.2 . . 1 . . . . . . . . 6099 1 209 . 1 1 29 29 LEU CB C 13 42.3 . . 1 . . . . . . . . 6099 1 210 . 1 1 29 29 LEU HB2 H 1 1.56 . . 1 . . . . . . . . 6099 1 211 . 1 1 29 29 LEU HB3 H 1 1.56 . . 1 . . . . . . . . 6099 1 212 . 1 1 30 30 ASP H H 1 8.15 . . 1 . . . . . . . . 6099 1 213 . 1 1 30 30 ASP N N 15 120.3 . . 1 . . . . . . . . 6099 1 214 . 1 1 30 30 ASP CA C 13 54.3 . . 1 . . . . . . . . 6099 1 215 . 1 1 30 30 ASP HA H 1 4.51 . . 1 . . . . . . . . 6099 1 216 . 1 1 30 30 ASP C C 13 175.7 . . 1 . . . . . . . . 6099 1 217 . 1 1 30 30 ASP CB C 13 41.1 . . 1 . . . . . . . . 6099 1 218 . 1 1 30 30 ASP HB2 H 1 2.56 . . 1 . . . . . . . . 6099 1 219 . 1 1 30 30 ASP HB3 H 1 2.56 . . 1 . . . . . . . . 6099 1 220 . 1 1 31 31 ASP H H 1 8.07 . . 1 . . . . . . . . 6099 1 221 . 1 1 31 31 ASP N N 15 119.8 . . 1 . . . . . . . . 6099 1 222 . 1 1 31 31 ASP CA C 13 54.3 . . 1 . . . . . . . . 6099 1 223 . 1 1 31 31 ASP HA H 1 4.51 . . 1 . . . . . . . . 6099 1 224 . 1 1 31 31 ASP C C 13 175.8 . . 1 . . . . . . . . 6099 1 225 . 1 1 31 31 ASP CB C 13 40.8 . . 1 . . . . . . . . 6099 1 226 . 1 1 31 31 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 6099 1 227 . 1 1 31 31 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 6099 1 228 . 1 1 32 32 PHE H H 1 7.96 . . 1 . . . . . . . . 6099 1 229 . 1 1 32 32 PHE N N 15 120.1 . . 1 . . . . . . . . 6099 1 230 . 1 1 32 32 PHE CA C 13 58 . . 1 . . . . . . . . 6099 1 231 . 1 1 32 32 PHE HA H 1 4.49 . . 1 . . . . . . . . 6099 1 232 . 1 1 32 32 PHE C C 13 175.4 . . 1 . . . . . . . . 6099 1 233 . 1 1 32 32 PHE CB C 13 39.8 . . 1 . . . . . . . . 6099 1 234 . 1 1 32 32 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 6099 1 235 . 1 1 32 32 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 6099 1 236 . 1 1 33 33 ASP H H 1 8.14 . . 1 . . . . . . . . 6099 1 237 . 1 1 33 33 ASP N N 15 121.5 . . 1 . . . . . . . . 6099 1 238 . 1 1 33 33 ASP CA C 13 54.2 . . 1 . . . . . . . . 6099 1 239 . 1 1 33 33 ASP HA H 1 4.54 . . 1 . . . . . . . . 6099 1 240 . 1 1 33 33 ASP C C 13 176.1 . . 1 . . . . . . . . 6099 1 241 . 1 1 33 33 ASP CB C 13 40.9 . . 1 . . . . . . . . 6099 1 242 . 1 1 33 33 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 6099 1 243 . 1 1 33 33 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 6099 1 244 . 1 1 34 34 LEU H H 1 8.02 . . 1 . . . . . . . . 6099 1 245 . 1 1 34 34 LEU N N 15 122.5 . . 1 . . . . . . . . 6099 1 246 . 1 1 34 34 LEU CA C 13 56 . . 1 . . . . . . . . 6099 1 247 . 1 1 34 34 LEU HA H 1 4.14 . . 1 . . . . . . . . 6099 1 248 . 1 1 34 34 LEU C C 13 177.6 . . 1 . . . . . . . . 6099 1 249 . 1 1 34 34 LEU CB C 13 42.3 . . 1 . . . . . . . . 6099 1 250 . 1 1 34 34 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 6099 1 251 . 1 1 34 34 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 6099 1 252 . 1 1 35 35 ASP H H 1 8.26 . . 1 . . . . . . . . 6099 1 253 . 1 1 35 35 ASP N N 15 119.9 . . 1 . . . . . . . . 6099 1 254 . 1 1 35 35 ASP CA C 13 54.9 . . 1 . . . . . . . . 6099 1 255 . 1 1 35 35 ASP HA H 1 4.51 . . 1 . . . . . . . . 6099 1 256 . 1 1 35 35 ASP C C 13 176.4 . . 1 . . . . . . . . 6099 1 257 . 1 1 35 35 ASP CB C 13 40.6 . . 1 . . . . . . . . 6099 1 258 . 1 1 35 35 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 6099 1 259 . 1 1 35 35 ASP HB3 H 1 2.64 . . 1 . . . . . . . . 6099 1 260 . 1 1 36 36 MET H H 1 7.98 . . 1 . . . . . . . . 6099 1 261 . 1 1 36 36 MET N N 15 119.4 . . 1 . . . . . . . . 6099 1 262 . 1 1 36 36 MET CA C 13 55.8 . . 1 . . . . . . . . 6099 1 263 . 1 1 36 36 MET HA H 1 4.38 . . 1 . . . . . . . . 6099 1 264 . 1 1 36 36 MET C C 13 176.4 . . 1 . . . . . . . . 6099 1 265 . 1 1 36 36 MET CB C 13 32.7 . . 1 . . . . . . . . 6099 1 266 . 1 1 36 36 MET HB2 H 1 1.95 . . 2 . . . . . . . . 6099 1 267 . 1 1 36 36 MET HB3 H 1 2.06 . . 2 . . . . . . . . 6099 1 268 . 1 1 37 37 LEU H H 1 7.99 . . 1 . . . . . . . . 6099 1 269 . 1 1 37 37 LEU N N 15 121.8 . . 1 . . . . . . . . 6099 1 270 . 1 1 37 37 LEU CA C 13 55.6 . . 1 . . . . . . . . 6099 1 271 . 1 1 37 37 LEU HA H 1 4.29 . . 1 . . . . . . . . 6099 1 272 . 1 1 37 37 LEU C C 13 177.9 . . 1 . . . . . . . . 6099 1 273 . 1 1 37 37 LEU CB C 13 42.4 . . 1 . . . . . . . . 6099 1 274 . 1 1 37 37 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 6099 1 275 . 1 1 37 37 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 6099 1 276 . 1 1 38 38 GLY H H 1 8.24 . . 1 . . . . . . . . 6099 1 277 . 1 1 38 38 GLY N N 15 109.3 . . 1 . . . . . . . . 6099 1 278 . 1 1 38 38 GLY CA C 13 45.5 . . 1 . . . . . . . . 6099 1 279 . 1 1 38 38 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 6099 1 280 . 1 1 38 38 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 6099 1 281 . 1 1 38 38 GLY C C 13 174 . . 1 . . . . . . . . 6099 1 282 . 1 1 39 39 ASP H H 1 8.21 . . 1 . . . . . . . . 6099 1 283 . 1 1 39 39 ASP N N 15 120.4 . . 1 . . . . . . . . 6099 1 284 . 1 1 39 39 ASP CA C 13 54.3 . . 1 . . . . . . . . 6099 1 285 . 1 1 39 39 ASP HA H 1 4.59 . . 1 . . . . . . . . 6099 1 286 . 1 1 39 39 ASP C C 13 176.8 . . 1 . . . . . . . . 6099 1 287 . 1 1 39 39 ASP CB C 13 41.2 . . 1 . . . . . . . . 6099 1 288 . 1 1 39 39 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 6099 1 289 . 1 1 39 39 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 6099 1 290 . 1 1 40 40 GLY H H 1 8.35 . . 1 . . . . . . . . 6099 1 291 . 1 1 40 40 GLY N N 15 109.4 . . 1 . . . . . . . . 6099 1 292 . 1 1 40 40 GLY CA C 13 45.7 . . 1 . . . . . . . . 6099 1 293 . 1 1 40 40 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 6099 1 294 . 1 1 40 40 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 6099 1 295 . 1 1 40 40 GLY C C 13 174 . . 1 . . . . . . . . 6099 1 296 . 1 1 41 41 ASP H H 1 8.16 . . 1 . . . . . . . . 6099 1 297 . 1 1 41 41 ASP N N 15 120.2 . . 1 . . . . . . . . 6099 1 298 . 1 1 41 41 ASP CA C 13 54.2 . . 1 . . . . . . . . 6099 1 299 . 1 1 41 41 ASP HA H 1 4.63 . . 1 . . . . . . . . 6099 1 300 . 1 1 41 41 ASP C C 13 175.9 . . 1 . . . . . . . . 6099 1 301 . 1 1 41 41 ASP CB C 13 41.3 . . 1 . . . . . . . . 6099 1 302 . 1 1 41 41 ASP HB2 H 1 2.58 . . 2 . . . . . . . . 6099 1 303 . 1 1 41 41 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 6099 1 304 . 1 1 42 42 SER H H 1 8.12 . . 1 . . . . . . . . 6099 1 305 . 1 1 42 42 SER N N 15 116.6 . . 1 . . . . . . . . 6099 1 306 . 1 1 42 42 SER CA C 13 56.4 . . 1 . . . . . . . . 6099 1 307 . 1 1 42 42 SER HA H 1 4.68 . . 1 . . . . . . . . 6099 1 308 . 1 1 42 42 SER C C 13 172.7 . . 1 . . . . . . . . 6099 1 309 . 1 1 42 42 SER CB C 13 63.5 . . 1 . . . . . . . . 6099 1 310 . 1 1 42 42 SER HB2 H 1 3.78 . . 1 . . . . . . . . 6099 1 311 . 1 1 42 42 SER HB3 H 1 3.78 . . 1 . . . . . . . . 6099 1 312 . 1 1 43 43 PRO CA C 13 63.4 . . 1 . . . . . . . . 6099 1 313 . 1 1 43 43 PRO HA H 1 4.36 . . 1 . . . . . . . . 6099 1 314 . 1 1 43 43 PRO C C 13 177.1 . . 1 . . . . . . . . 6099 1 315 . 1 1 43 43 PRO CB C 13 32.3 . . 1 . . . . . . . . 6099 1 316 . 1 1 43 43 PRO HB2 H 1 1.87 . . 1 . . . . . . . . 6099 1 317 . 1 1 43 43 PRO HB3 H 1 1.87 . . 1 . . . . . . . . 6099 1 318 . 1 1 44 44 GLY H H 1 8.12 . . 1 . . . . . . . . 6099 1 319 . 1 1 44 44 GLY N N 15 108.8 . . 1 . . . . . . . . 6099 1 320 . 1 1 44 44 GLY CA C 13 44.6 . . 1 . . . . . . . . 6099 1 321 . 1 1 44 44 GLY HA2 H 1 4.04 . . 1 . . . . . . . . 6099 1 322 . 1 1 44 44 GLY HA3 H 1 4.04 . . 1 . . . . . . . . 6099 1 323 . 1 1 44 44 GLY C C 13 171.9 . . 1 . . . . . . . . 6099 1 324 . 1 1 45 45 PRO CA C 13 63.6 . . 1 . . . . . . . . 6099 1 325 . 1 1 45 45 PRO HA H 1 4.37 . . 1 . . . . . . . . 6099 1 326 . 1 1 45 45 PRO C C 13 177.6 . . 1 . . . . . . . . 6099 1 327 . 1 1 45 45 PRO CB C 13 32.2 . . 1 . . . . . . . . 6099 1 328 . 1 1 46 46 GLY H H 1 8.44 . . 1 . . . . . . . . 6099 1 329 . 1 1 46 46 GLY N N 15 109.2 . . 1 . . . . . . . . 6099 1 330 . 1 1 46 46 GLY CA C 13 45.3 . . 1 . . . . . . . . 6099 1 331 . 1 1 46 46 GLY HA2 H 1 3.84 . . 1 . . . . . . . . 6099 1 332 . 1 1 46 46 GLY HA3 H 1 3.84 . . 1 . . . . . . . . 6099 1 333 . 1 1 46 46 GLY C C 13 173.7 . . 1 . . . . . . . . 6099 1 334 . 1 1 47 47 PHE H H 1 7.91 . . 1 . . . . . . . . 6099 1 335 . 1 1 47 47 PHE N N 15 120.2 . . 1 . . . . . . . . 6099 1 336 . 1 1 47 47 PHE CA C 13 57.8 . . 1 . . . . . . . . 6099 1 337 . 1 1 47 47 PHE HA H 1 4.61 . . 1 . . . . . . . . 6099 1 338 . 1 1 47 47 PHE C C 13 175.2 . . 1 . . . . . . . . 6099 1 339 . 1 1 47 47 PHE CB C 13 40.1 . . 1 . . . . . . . . 6099 1 340 . 1 1 47 47 PHE HB2 H 1 3 . . 1 . . . . . . . . 6099 1 341 . 1 1 47 47 PHE HB3 H 1 3 . . 1 . . . . . . . . 6099 1 342 . 1 1 48 48 THR H H 1 8.06 . . 1 . . . . . . . . 6099 1 343 . 1 1 48 48 THR N N 15 119.9 . . 1 . . . . . . . . 6099 1 344 . 1 1 48 48 THR CA C 13 59.3 . . 1 . . . . . . . . 6099 1 345 . 1 1 48 48 THR HA H 1 4.51 . . 1 . . . . . . . . 6099 1 346 . 1 1 48 48 THR C C 13 172.1 . . 1 . . . . . . . . 6099 1 347 . 1 1 48 48 THR CB C 13 70.1 . . 1 . . . . . . . . 6099 1 348 . 1 1 48 48 THR HB H 1 3.98 . . 1 . . . . . . . . 6099 1 349 . 1 1 49 49 PRO CA C 13 63.1 . . 1 . . . . . . . . 6099 1 350 . 1 1 49 49 PRO HA H 1 4.26 . . 1 . . . . . . . . 6099 1 351 . 1 1 49 49 PRO C C 13 176.6 . . 1 . . . . . . . . 6099 1 352 . 1 1 49 49 PRO CB C 13 32.2 . . 1 . . . . . . . . 6099 1 353 . 1 1 49 49 PRO HB2 H 1 1.82 . . 1 . . . . . . . . 6099 1 354 . 1 1 49 49 PRO HB3 H 1 1.82 . . 1 . . . . . . . . 6099 1 355 . 1 1 50 50 HIS H H 1 8.51 . . 1 . . . . . . . . 6099 1 356 . 1 1 50 50 HIS N N 15 118.6 . . 1 . . . . . . . . 6099 1 357 . 1 1 50 50 HIS CA C 13 55.5 . . 1 . . . . . . . . 6099 1 358 . 1 1 50 50 HIS HA H 1 4.61 . . 1 . . . . . . . . 6099 1 359 . 1 1 50 50 HIS C C 13 174.3 . . 1 . . . . . . . . 6099 1 360 . 1 1 50 50 HIS CB C 13 29.3 . . 1 . . . . . . . . 6099 1 361 . 1 1 50 50 HIS HB2 H 1 3.13 . . 2 . . . . . . . . 6099 1 362 . 1 1 50 50 HIS HB3 H 1 3.2 . . 2 . . . . . . . . 6099 1 363 . 1 1 51 51 ASP H H 1 8.33 . . 1 . . . . . . . . 6099 1 364 . 1 1 51 51 ASP N N 15 121.4 . . 1 . . . . . . . . 6099 1 365 . 1 1 51 51 ASP CA C 13 54.5 . . 1 . . . . . . . . 6099 1 366 . 1 1 51 51 ASP HA H 1 4.57 . . 1 . . . . . . . . 6099 1 367 . 1 1 51 51 ASP C C 13 175.9 . . 1 . . . . . . . . 6099 1 368 . 1 1 51 51 ASP CB C 13 41.3 . . 1 . . . . . . . . 6099 1 369 . 1 1 51 51 ASP HB2 H 1 2.6 . . 1 . . . . . . . . 6099 1 370 . 1 1 51 51 ASP HB3 H 1 2.6 . . 1 . . . . . . . . 6099 1 371 . 1 1 52 52 SER H H 1 8.19 . . 1 . . . . . . . . 6099 1 372 . 1 1 52 52 SER N N 15 115.9 . . 1 . . . . . . . . 6099 1 373 . 1 1 52 52 SER CA C 13 58.3 . . 1 . . . . . . . . 6099 1 374 . 1 1 52 52 SER HA H 1 4.39 . . 1 . . . . . . . . 6099 1 375 . 1 1 52 52 SER C C 13 173.8 . . 1 . . . . . . . . 6099 1 376 . 1 1 52 52 SER CB C 13 64.1 . . 1 . . . . . . . . 6099 1 377 . 1 1 52 52 SER HB2 H 1 3.81 . . 1 . . . . . . . . 6099 1 378 . 1 1 52 52 SER HB3 H 1 3.81 . . 1 . . . . . . . . 6099 1 379 . 1 1 53 53 ALA H H 1 8.18 . . 1 . . . . . . . . 6099 1 380 . 1 1 53 53 ALA N N 15 126.6 . . 1 . . . . . . . . 6099 1 381 . 1 1 53 53 ALA CA C 13 50.8 . . 1 . . . . . . . . 6099 1 382 . 1 1 53 53 ALA HA H 1 4.5 . . 1 . . . . . . . . 6099 1 383 . 1 1 53 53 ALA C C 13 175.5 . . 1 . . . . . . . . 6099 1 384 . 1 1 53 53 ALA CB C 13 18.6 . . 1 . . . . . . . . 6099 1 385 . 1 1 53 53 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 6099 1 386 . 1 1 53 53 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 6099 1 387 . 1 1 53 53 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 6099 1 388 . 1 1 54 54 PRO CA C 13 63.3 . . 1 . . . . . . . . 6099 1 389 . 1 1 54 54 PRO HA H 1 4.32 . . 1 . . . . . . . . 6099 1 390 . 1 1 54 54 PRO C C 13 176.6 . . 1 . . . . . . . . 6099 1 391 . 1 1 54 54 PRO CB C 13 31.9 . . 1 . . . . . . . . 6099 1 392 . 1 1 55 55 TYR H H 1 8.03 . . 1 . . . . . . . . 6099 1 393 . 1 1 55 55 TYR N N 15 119.6 . . 1 . . . . . . . . 6099 1 394 . 1 1 55 55 TYR CA C 13 58 . . 1 . . . . . . . . 6099 1 395 . 1 1 55 55 TYR HA H 1 4.47 . . 1 . . . . . . . . 6099 1 396 . 1 1 55 55 TYR C C 13 176.4 . . 1 . . . . . . . . 6099 1 397 . 1 1 55 55 TYR CB C 13 38.7 . . 1 . . . . . . . . 6099 1 398 . 1 1 55 55 TYR HB2 H 1 2.97 . . 1 . . . . . . . . 6099 1 399 . 1 1 55 55 TYR HB3 H 1 2.97 . . 1 . . . . . . . . 6099 1 400 . 1 1 56 56 GLY H H 1 8.16 . . 1 . . . . . . . . 6099 1 401 . 1 1 56 56 GLY N N 15 110.8 . . 1 . . . . . . . . 6099 1 402 . 1 1 56 56 GLY CA C 13 45.4 . . 1 . . . . . . . . 6099 1 403 . 1 1 56 56 GLY HA2 H 1 3.81 . . 1 . . . . . . . . 6099 1 404 . 1 1 56 56 GLY HA3 H 1 3.81 . . 1 . . . . . . . . 6099 1 405 . 1 1 56 56 GLY C C 13 173.7 . . 1 . . . . . . . . 6099 1 406 . 1 1 57 57 ALA H H 1 7.94 . . 1 . . . . . . . . 6099 1 407 . 1 1 57 57 ALA N N 15 123.6 . . 1 . . . . . . . . 6099 1 408 . 1 1 57 57 ALA CA C 13 52.5 . . 1 . . . . . . . . 6099 1 409 . 1 1 57 57 ALA HA H 1 4.25 . . 1 . . . . . . . . 6099 1 410 . 1 1 57 57 ALA C C 13 177.6 . . 1 . . . . . . . . 6099 1 411 . 1 1 57 57 ALA CB C 13 19.5 . . 1 . . . . . . . . 6099 1 412 . 1 1 57 57 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 6099 1 413 . 1 1 57 57 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 6099 1 414 . 1 1 57 57 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 6099 1 415 . 1 1 58 58 LEU H H 1 8.09 . . 1 . . . . . . . . 6099 1 416 . 1 1 58 58 LEU N N 15 120.7 . . 1 . . . . . . . . 6099 1 417 . 1 1 58 58 LEU CA C 13 55.2 . . 1 . . . . . . . . 6099 1 418 . 1 1 58 58 LEU HA H 1 4.27 . . 1 . . . . . . . . 6099 1 419 . 1 1 58 58 LEU C C 13 177.1 . . 1 . . . . . . . . 6099 1 420 . 1 1 58 58 LEU CB C 13 42.6 . . 1 . . . . . . . . 6099 1 421 . 1 1 58 58 LEU HB2 H 1 1.57 . . 1 . . . . . . . . 6099 1 422 . 1 1 58 58 LEU HB3 H 1 1.57 . . 1 . . . . . . . . 6099 1 423 . 1 1 59 59 ASP H H 1 8.28 . . 1 . . . . . . . . 6099 1 424 . 1 1 59 59 ASP N N 15 120.9 . . 1 . . . . . . . . 6099 1 425 . 1 1 59 59 ASP CA C 13 54.2 . . 1 . . . . . . . . 6099 1 426 . 1 1 59 59 ASP HA H 1 4.61 . . 1 . . . . . . . . 6099 1 427 . 1 1 59 59 ASP C C 13 176.3 . . 1 . . . . . . . . 6099 1 428 . 1 1 59 59 ASP CB C 13 41 . . 1 . . . . . . . . 6099 1 429 . 1 1 59 59 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 6099 1 430 . 1 1 59 59 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 6099 1 431 . 1 1 60 60 THR H H 1 7.91 . . 1 . . . . . . . . 6099 1 432 . 1 1 60 60 THR N N 15 113.8 . . 1 . . . . . . . . 6099 1 433 . 1 1 60 60 THR CA C 13 62.1 . . 1 . . . . . . . . 6099 1 434 . 1 1 60 60 THR HA H 1 4.25 . . 1 . . . . . . . . 6099 1 435 . 1 1 60 60 THR C C 13 174.5 . . 1 . . . . . . . . 6099 1 436 . 1 1 60 60 THR CB C 13 69.7 . . 1 . . . . . . . . 6099 1 437 . 1 1 60 60 THR HB H 1 4.19 . . 1 . . . . . . . . 6099 1 438 . 1 1 61 61 ALA H H 1 8.18 . . 1 . . . . . . . . 6099 1 439 . 1 1 61 61 ALA N N 15 125.6 . . 1 . . . . . . . . 6099 1 440 . 1 1 61 61 ALA CA C 13 53 . . 1 . . . . . . . . 6099 1 441 . 1 1 61 61 ALA HA H 1 4.22 . . 1 . . . . . . . . 6099 1 442 . 1 1 61 61 ALA C C 13 177.5 . . 1 . . . . . . . . 6099 1 443 . 1 1 61 61 ALA CB C 13 19.4 . . 1 . . . . . . . . 6099 1 444 . 1 1 61 61 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 6099 1 445 . 1 1 61 61 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 6099 1 446 . 1 1 61 61 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 6099 1 447 . 1 1 62 62 ASP H H 1 8.07 . . 1 . . . . . . . . 6099 1 448 . 1 1 62 62 ASP N N 15 118.7 . . 1 . . . . . . . . 6099 1 449 . 1 1 62 62 ASP CA C 13 54.5 . . 1 . . . . . . . . 6099 1 450 . 1 1 62 62 ASP HA H 1 4.51 . . 1 . . . . . . . . 6099 1 451 . 1 1 62 62 ASP C C 13 176 . . 1 . . . . . . . . 6099 1 452 . 1 1 62 62 ASP CB C 13 41 . . 1 . . . . . . . . 6099 1 453 . 1 1 62 62 ASP HB2 H 1 2.53 . . 2 . . . . . . . . 6099 1 454 . 1 1 62 62 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 6099 1 455 . 1 1 63 63 PHE H H 1 7.92 . . 1 . . . . . . . . 6099 1 456 . 1 1 63 63 PHE N N 15 120.1 . . 1 . . . . . . . . 6099 1 457 . 1 1 63 63 PHE CA C 13 58.2 . . 1 . . . . . . . . 6099 1 458 . 1 1 63 63 PHE HA H 1 4.49 . . 1 . . . . . . . . 6099 1 459 . 1 1 63 63 PHE C C 13 175.8 . . 1 . . . . . . . . 6099 1 460 . 1 1 63 63 PHE CB C 13 39.6 . . 1 . . . . . . . . 6099 1 461 . 1 1 63 63 PHE HB2 H 1 2.99 . . 1 . . . . . . . . 6099 1 462 . 1 1 63 63 PHE HB3 H 1 2.99 . . 1 . . . . . . . . 6099 1 463 . 1 1 64 64 GLU H H 1 8.11 . . 1 . . . . . . . . 6099 1 464 . 1 1 64 64 GLU N N 15 121.4 . . 1 . . . . . . . . 6099 1 465 . 1 1 64 64 GLU CA C 13 56.8 . . 1 . . . . . . . . 6099 1 466 . 1 1 64 64 GLU HA H 1 4.12 . . 1 . . . . . . . . 6099 1 467 . 1 1 64 64 GLU C C 13 176.2 . . 1 . . . . . . . . 6099 1 468 . 1 1 64 64 GLU CB C 13 29.8 . . 1 . . . . . . . . 6099 1 469 . 1 1 64 64 GLU HB2 H 1 1.83 . . 1 . . . . . . . . 6099 1 470 . 1 1 64 64 GLU HB3 H 1 1.83 . . 1 . . . . . . . . 6099 1 471 . 1 1 65 65 PHE H H 1 7.98 . . 1 . . . . . . . . 6099 1 472 . 1 1 65 65 PHE N N 15 120.4 . . 1 . . . . . . . . 6099 1 473 . 1 1 65 65 PHE CA C 13 58.5 . . 1 . . . . . . . . 6099 1 474 . 1 1 65 65 PHE HA H 1 4.48 . . 1 . . . . . . . . 6099 1 475 . 1 1 65 65 PHE C C 13 176 . . 1 . . . . . . . . 6099 1 476 . 1 1 65 65 PHE CB C 13 39.6 . . 1 . . . . . . . . 6099 1 477 . 1 1 65 65 PHE HB2 H 1 3 . . 2 . . . . . . . . 6099 1 478 . 1 1 65 65 PHE HB3 H 1 3.12 . . 2 . . . . . . . . 6099 1 479 . 1 1 66 66 GLU H H 1 8.19 . . 1 . . . . . . . . 6099 1 480 . 1 1 66 66 GLU N N 15 121 . . 1 . . . . . . . . 6099 1 481 . 1 1 66 66 GLU CA C 13 57.1 . . 1 . . . . . . . . 6099 1 482 . 1 1 66 66 GLU HA H 1 4.12 . . 1 . . . . . . . . 6099 1 483 . 1 1 66 66 GLU C C 13 176.5 . . 1 . . . . . . . . 6099 1 484 . 1 1 66 66 GLU CB C 13 29.9 . . 1 . . . . . . . . 6099 1 485 . 1 1 66 66 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 6099 1 486 . 1 1 66 66 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 6099 1 487 . 1 1 67 67 GLN H H 1 8.11 . . 1 . . . . . . . . 6099 1 488 . 1 1 67 67 GLN N N 15 120.1 . . 1 . . . . . . . . 6099 1 489 . 1 1 67 67 GLN CA C 13 56.3 . . 1 . . . . . . . . 6099 1 490 . 1 1 67 67 GLN HA H 1 4.13 . . 1 . . . . . . . . 6099 1 491 . 1 1 67 67 GLN C C 13 175.9 . . 1 . . . . . . . . 6099 1 492 . 1 1 67 67 GLN CB C 13 29.3 . . 1 . . . . . . . . 6099 1 493 . 1 1 67 67 GLN HB2 H 1 1.95 . . 1 . . . . . . . . 6099 1 494 . 1 1 67 67 GLN HB3 H 1 1.95 . . 1 . . . . . . . . 6099 1 495 . 1 1 68 68 MET H H 1 8.04 . . 1 . . . . . . . . 6099 1 496 . 1 1 68 68 MET N N 15 120.3 . . 1 . . . . . . . . 6099 1 497 . 1 1 68 68 MET CA C 13 56 . . 1 . . . . . . . . 6099 1 498 . 1 1 68 68 MET HA H 1 4.3 . . 1 . . . . . . . . 6099 1 499 . 1 1 68 68 MET C C 13 175.9 . . 1 . . . . . . . . 6099 1 500 . 1 1 68 68 MET CB C 13 33.1 . . 1 . . . . . . . . 6099 1 501 . 1 1 68 68 MET HB2 H 1 1.82 . . 1 . . . . . . . . 6099 1 502 . 1 1 68 68 MET HB3 H 1 1.82 . . 1 . . . . . . . . 6099 1 503 . 1 1 69 69 PHE H H 1 8.09 . . 1 . . . . . . . . 6099 1 504 . 1 1 69 69 PHE N N 15 120.5 . . 1 . . . . . . . . 6099 1 505 . 1 1 69 69 PHE CA C 13 57.8 . . 1 . . . . . . . . 6099 1 506 . 1 1 69 69 PHE HA H 1 4.64 . . 1 . . . . . . . . 6099 1 507 . 1 1 69 69 PHE C C 13 175.9 . . 1 . . . . . . . . 6099 1 508 . 1 1 69 69 PHE CB C 13 39.5 . . 1 . . . . . . . . 6099 1 509 . 1 1 69 69 PHE HB2 H 1 2.91 . . 2 . . . . . . . . 6099 1 510 . 1 1 69 69 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 6099 1 511 . 1 1 70 70 THR H H 1 7.97 . . 1 . . . . . . . . 6099 1 512 . 1 1 70 70 THR N N 15 115.1 . . 1 . . . . . . . . 6099 1 513 . 1 1 70 70 THR CA C 13 62.2 . . 1 . . . . . . . . 6099 1 514 . 1 1 70 70 THR HA H 1 4.25 . . 1 . . . . . . . . 6099 1 515 . 1 1 70 70 THR C C 13 174.3 . . 1 . . . . . . . . 6099 1 516 . 1 1 70 70 THR CB C 13 69.9 . . 1 . . . . . . . . 6099 1 517 . 1 1 70 70 THR HB H 1 4.16 . . 1 . . . . . . . . 6099 1 518 . 1 1 71 71 ASP H H 1 8.22 . . 1 . . . . . . . . 6099 1 519 . 1 1 71 71 ASP N N 15 122.5 . . 1 . . . . . . . . 6099 1 520 . 1 1 71 71 ASP CA C 13 54.5 . . 1 . . . . . . . . 6099 1 521 . 1 1 71 71 ASP HA H 1 4.53 . . 1 . . . . . . . . 6099 1 522 . 1 1 71 71 ASP C C 13 176 . . 1 . . . . . . . . 6099 1 523 . 1 1 71 71 ASP CB C 13 41.1 . . 1 . . . . . . . . 6099 1 524 . 1 1 71 71 ASP HB2 H 1 2.65 . . 1 . . . . . . . . 6099 1 525 . 1 1 71 71 ASP HB3 H 1 2.65 . . 1 . . . . . . . . 6099 1 526 . 1 1 72 72 ALA H H 1 8.06 . . 1 . . . . . . . . 6099 1 527 . 1 1 72 72 ALA N N 15 123.7 . . 1 . . . . . . . . 6099 1 528 . 1 1 72 72 ALA CA C 13 52.8 . . 1 . . . . . . . . 6099 1 529 . 1 1 72 72 ALA HA H 1 4.25 . . 1 . . . . . . . . 6099 1 530 . 1 1 72 72 ALA C C 13 177.7 . . 1 . . . . . . . . 6099 1 531 . 1 1 72 72 ALA CB C 13 19.4 . . 1 . . . . . . . . 6099 1 532 . 1 1 72 72 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 6099 1 533 . 1 1 72 72 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 6099 1 534 . 1 1 72 72 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 6099 1 535 . 1 1 73 73 LEU H H 1 8.02 . . 1 . . . . . . . . 6099 1 536 . 1 1 73 73 LEU N N 15 120.3 . . 1 . . . . . . . . 6099 1 537 . 1 1 73 73 LEU CA C 13 55.4 . . 1 . . . . . . . . 6099 1 538 . 1 1 73 73 LEU HA H 1 4.26 . . 1 . . . . . . . . 6099 1 539 . 1 1 73 73 LEU C C 13 178 . . 1 . . . . . . . . 6099 1 540 . 1 1 73 73 LEU CB C 13 42.6 . . 1 . . . . . . . . 6099 1 541 . 1 1 73 73 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 6099 1 542 . 1 1 73 73 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 6099 1 543 . 1 1 74 74 GLY H H 1 8.26 . . 1 . . . . . . . . 6099 1 544 . 1 1 74 74 GLY N N 15 109.3 . . 1 . . . . . . . . 6099 1 545 . 1 1 74 74 GLY CA C 13 45.6 . . 1 . . . . . . . . 6099 1 546 . 1 1 74 74 GLY HA2 H 1 3.89 . . 1 . . . . . . . . 6099 1 547 . 1 1 74 74 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 6099 1 548 . 1 1 74 74 GLY C C 13 174.2 . . 1 . . . . . . . . 6099 1 549 . 1 1 75 75 ILE H H 1 7.83 . . 1 . . . . . . . . 6099 1 550 . 1 1 75 75 ILE N N 15 119.4 . . 1 . . . . . . . . 6099 1 551 . 1 1 75 75 ILE CA C 13 61.3 . . 1 . . . . . . . . 6099 1 552 . 1 1 75 75 ILE HA H 1 4.1 . . 1 . . . . . . . . 6099 1 553 . 1 1 75 75 ILE C C 13 176 . . 1 . . . . . . . . 6099 1 554 . 1 1 75 75 ILE CB C 13 39 . . 1 . . . . . . . . 6099 1 555 . 1 1 75 75 ILE HB H 1 1.81 . . 1 . . . . . . . . 6099 1 556 . 1 1 76 76 ASP H H 1 8.36 . . 1 . . . . . . . . 6099 1 557 . 1 1 76 76 ASP N N 15 123.5 . . 1 . . . . . . . . 6099 1 558 . 1 1 76 76 ASP CA C 13 54.4 . . 1 . . . . . . . . 6099 1 559 . 1 1 76 76 ASP HA H 1 4.55 . . 1 . . . . . . . . 6099 1 560 . 1 1 76 76 ASP C C 13 176 . . 1 . . . . . . . . 6099 1 561 . 1 1 76 76 ASP CB C 13 41 . . 1 . . . . . . . . 6099 1 562 . 1 1 76 76 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 6099 1 563 . 1 1 76 76 ASP HB3 H 1 2.65 . . 2 . . . . . . . . 6099 1 564 . 1 1 77 77 GLU H H 1 8.14 . . 1 . . . . . . . . 6099 1 565 . 1 1 77 77 GLU N N 15 120.9 . . 1 . . . . . . . . 6099 1 566 . 1 1 77 77 GLU CA C 13 56.6 . . 1 . . . . . . . . 6099 1 567 . 1 1 77 77 GLU HA H 1 4.18 . . 1 . . . . . . . . 6099 1 568 . 1 1 77 77 GLU C C 13 176 . . 1 . . . . . . . . 6099 1 569 . 1 1 77 77 GLU CB C 13 30.1 . . 1 . . . . . . . . 6099 1 570 . 1 1 77 77 GLU HB2 H 1 1.8 . . 2 . . . . . . . . 6099 1 571 . 1 1 77 77 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 6099 1 572 . 1 1 78 78 TYR H H 1 8.16 . . 1 . . . . . . . . 6099 1 573 . 1 1 78 78 TYR N N 15 120.6 . . 1 . . . . . . . . 6099 1 574 . 1 1 78 78 TYR CA C 13 58.1 . . 1 . . . . . . . . 6099 1 575 . 1 1 78 78 TYR HA H 1 4.54 . . 1 . . . . . . . . 6099 1 576 . 1 1 78 78 TYR C C 13 176.4 . . 1 . . . . . . . . 6099 1 577 . 1 1 78 78 TYR CB C 13 38.8 . . 1 . . . . . . . . 6099 1 578 . 1 1 78 78 TYR HB2 H 1 2.89 . . 2 . . . . . . . . 6099 1 579 . 1 1 78 78 TYR HB3 H 1 3.06 . . 2 . . . . . . . . 6099 1 580 . 1 1 79 79 GLY H H 1 8.2 . . 1 . . . . . . . . 6099 1 581 . 1 1 79 79 GLY N N 15 111.3 . . 1 . . . . . . . . 6099 1 582 . 1 1 79 79 GLY CA C 13 45.5 . . 1 . . . . . . . . 6099 1 583 . 1 1 79 79 GLY HA2 H 1 3.88 . . 1 . . . . . . . . 6099 1 584 . 1 1 79 79 GLY HA3 H 1 3.88 . . 1 . . . . . . . . 6099 1 585 . 1 1 79 79 GLY C C 13 173.7 . . 1 . . . . . . . . 6099 1 586 . 1 1 80 80 GLY H H 1 7.56 . . 1 . . . . . . . . 6099 1 587 . 1 1 80 80 GLY N N 15 114.8 . . 1 . . . . . . . . 6099 1 588 . 1 1 80 80 GLY CA C 13 46.1 . . 1 . . . . . . . . 6099 1 589 . 1 1 80 80 GLY HA2 H 1 3.7 . . 1 . . . . . . . . 6099 1 590 . 1 1 80 80 GLY HA3 H 1 3.7 . . 1 . . . . . . . . 6099 1 591 . 1 1 80 80 GLY C C 13 179 . . 1 . . . . . . . . 6099 1 stop_ save_