data_17917 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17917 _Entry.Title ; Backbone chemical shift assignments for the C-terminal domain of yeast Tfg1. ; _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 . _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. . 17917 2 Leonardus Koharudin . M.I. . 17917 3 Angela Gronenborn . M. . 17917 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' . 17917 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17917 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 17917 '15N chemical shifts' 61 17917 '1H chemical shifts' 124 17917 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 . 17917 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17916 Tfg2 17917 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17917 _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. . 17917 1 2 Leonardus Koharudin . M.I. . 17917 1 3 Guillermo Calero . A. . 17917 1 4 Angela Gronenborn . M. . 17917 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CS-ROSETTA 17917 1 NMR 17917 1 'transcription factor' 17917 1 'winged-helix fold' 17917 1 yeast 17917 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17917 _Assembly.ID 1 _Assembly.Name 'Tfg1 C-terminal domain' _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 Tfg1 1 $Tfg1_C-terminal_domain A . yes native no no . . . 17917 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tfg1_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode Tfg1_C-terminal_domain _Entity.Entry_ID 17917 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tfg1_C-terminal_domain _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 ; MASTITEKDIIEAIGDGKVN IKEFGKFIRRKYPGAENKKL MFAIVKKLCRKVGNDHMELK KE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-3 represent a non-native affinity tag.' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ GAA23558 . "K7_Tfg1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.39 735 98.36 98.36 3.82e-31 . . . . 17917 1 2 no EMBL CAA67530 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 3 no EMBL CAA97212 . "TFG1 [Saccharomyces cerevisiae]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 4 no EMBL CAY79945 . "Tfg1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.39 735 98.36 98.36 3.64e-31 . . . . 17917 1 5 no GB AAA61640 . "transcription initiation factor TFIIF large subunit [Saccharomyces cerevisiae]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 6 no GB AAA68478 . "Ssu71p [Saccharomyces cerevisiae]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 7 no GB AHY79527 . "Tfg1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 8 no GB AJP38957 . "Tfg1p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 9 no GB AJR76277 . "Tfg1p [Saccharomyces cerevisiae YJM189]" . . . . . 98.39 735 98.36 98.36 3.64e-31 . . . . 17917 1 10 no REF NP_011702 . "transcription factor IIF subunit TFG1 [Saccharomyces cerevisiae S288c]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 11 no SP P41895 . "RecName: Full=Transcription initiation factor IIF subunit alpha; Short=TFIIF-alpha; AltName: Full=TFIIF large subunit; AltName:" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 1 12 no TPG DAA08280 . "TPA: transcription factor IIF subunit TFG1 [Saccharomyces cerevisiae S288c]" . . . . . 98.39 735 98.36 98.36 3.53e-31 . . . . 17917 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 1 674 MET . 17917 1 2 675 ALA . 17917 1 3 676 SER . 17917 1 4 677 THR . 17917 1 5 678 ILE . 17917 1 6 679 THR . 17917 1 7 680 GLU . 17917 1 8 681 LYS . 17917 1 9 682 ASP . 17917 1 10 683 ILE . 17917 1 11 684 ILE . 17917 1 12 685 GLU . 17917 1 13 686 ALA . 17917 1 14 687 ILE . 17917 1 15 688 GLY . 17917 1 16 689 ASP . 17917 1 17 690 GLY . 17917 1 18 691 LYS . 17917 1 19 692 VAL . 17917 1 20 693 ASN . 17917 1 21 694 ILE . 17917 1 22 695 LYS . 17917 1 23 696 GLU . 17917 1 24 697 PHE . 17917 1 25 698 GLY . 17917 1 26 699 LYS . 17917 1 27 700 PHE . 17917 1 28 701 ILE . 17917 1 29 702 ARG . 17917 1 30 703 ARG . 17917 1 31 704 LYS . 17917 1 32 705 TYR . 17917 1 33 706 PRO . 17917 1 34 707 GLY . 17917 1 35 708 ALA . 17917 1 36 709 GLU . 17917 1 37 710 ASN . 17917 1 38 711 LYS . 17917 1 39 712 LYS . 17917 1 40 713 LEU . 17917 1 41 714 MET . 17917 1 42 715 PHE . 17917 1 43 716 ALA . 17917 1 44 717 ILE . 17917 1 45 718 VAL . 17917 1 46 719 LYS . 17917 1 47 720 LYS . 17917 1 48 721 LEU . 17917 1 49 722 CYS . 17917 1 50 723 ARG . 17917 1 51 724 LYS . 17917 1 52 725 VAL . 17917 1 53 726 GLY . 17917 1 54 727 ASN . 17917 1 55 728 ASP . 17917 1 56 729 HIS . 17917 1 57 730 MET . 17917 1 58 731 GLU . 17917 1 59 732 LEU . 17917 1 60 733 LYS . 17917 1 61 734 LYS . 17917 1 62 735 GLU . 17917 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 17917 1 . ALA 2 2 17917 1 . SER 3 3 17917 1 . THR 4 4 17917 1 . ILE 5 5 17917 1 . THR 6 6 17917 1 . GLU 7 7 17917 1 . LYS 8 8 17917 1 . ASP 9 9 17917 1 . ILE 10 10 17917 1 . ILE 11 11 17917 1 . GLU 12 12 17917 1 . ALA 13 13 17917 1 . ILE 14 14 17917 1 . GLY 15 15 17917 1 . ASP 16 16 17917 1 . GLY 17 17 17917 1 . LYS 18 18 17917 1 . VAL 19 19 17917 1 . ASN 20 20 17917 1 . ILE 21 21 17917 1 . LYS 22 22 17917 1 . GLU 23 23 17917 1 . PHE 24 24 17917 1 . GLY 25 25 17917 1 . LYS 26 26 17917 1 . PHE 27 27 17917 1 . ILE 28 28 17917 1 . ARG 29 29 17917 1 . ARG 30 30 17917 1 . LYS 31 31 17917 1 . TYR 32 32 17917 1 . PRO 33 33 17917 1 . GLY 34 34 17917 1 . ALA 35 35 17917 1 . GLU 36 36 17917 1 . ASN 37 37 17917 1 . LYS 38 38 17917 1 . LYS 39 39 17917 1 . LEU 40 40 17917 1 . MET 41 41 17917 1 . PHE 42 42 17917 1 . ALA 43 43 17917 1 . ILE 44 44 17917 1 . VAL 45 45 17917 1 . LYS 46 46 17917 1 . LYS 47 47 17917 1 . LEU 48 48 17917 1 . CYS 49 49 17917 1 . ARG 50 50 17917 1 . LYS 51 51 17917 1 . VAL 52 52 17917 1 . GLY 53 53 17917 1 . ASN 54 54 17917 1 . ASP 55 55 17917 1 . HIS 56 56 17917 1 . MET 57 57 17917 1 . GLU 58 58 17917 1 . LEU 59 59 17917 1 . LYS 60 60 17917 1 . LYS 61 61 17917 1 . GLU 62 62 17917 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 17917 _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 $Tfg1_C-terminal_domain . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17917 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 17917 _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 $Tfg1_C-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-18 . . . . . . 17917 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17917 _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 'Tfg1 C-terminal domain' '[U-98% 13C; U-98% 15N]' . . 1 $Tfg1_C-terminal_domain . . . 1 1.5 mM . . . . 17917 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17917 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17917 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17917 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17917 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 17917 _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 17917 1 pH 6.2 . pH 17917 1 pressure 1 . atm 17917 1 temperature 298 . K 17917 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17917 _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 . . 17917 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17917 1 'peak picking' 17917 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 17917 _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 17917 _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 17917 _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 17917 _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 . . . 17917 1 2 spectrometer_2 Bruker Avance . 700 . . . 17917 1 3 spectrometer_3 Bruker Avance . 800 . . . 17917 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 17917 _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 . . . . . . . . . . . . . . . . . . . . . 17917 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17917 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17917 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17917 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17917 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 17917 _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 . . . . . . . . . 17917 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17917 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17917 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 17917 _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' . . . 17917 1 2 '3D HNCACB' . . . 17917 1 3 '3D CBCA(CO)NH' . . . 17917 1 4 '3D HNCO' . . . 17917 1 5 '3D H(CCO)NH' . . . 17917 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 8.42 0.02 . 1 . . . . 674 MET H . 17917 1 2 . 1 1 1 1 MET HA H 1 4.46 0.02 . 1 . . . . 674 MET HA . 17917 1 3 . 1 1 1 1 MET C C 13 176.04 0.05 . 1 . . . . 674 MET C . 17917 1 4 . 1 1 1 1 MET CA C 13 55.52 0.05 . 1 . . . . 674 MET CA . 17917 1 5 . 1 1 1 1 MET CB C 13 33.05 0.05 . 1 . . . . 674 MET CB . 17917 1 6 . 1 1 1 1 MET N N 15 122.36 0.05 . 1 . . . . 674 MET N . 17917 1 7 . 1 1 2 2 ALA H H 1 8.42 0.02 . 1 . . . . 675 ALA H . 17917 1 8 . 1 1 2 2 ALA HA H 1 4.40 0.02 . 1 . . . . 675 ALA HA . 17917 1 9 . 1 1 2 2 ALA C C 13 177.94 0.05 . 1 . . . . 675 ALA C . 17917 1 10 . 1 1 2 2 ALA CA C 13 52.44 0.05 . 1 . . . . 675 ALA CA . 17917 1 11 . 1 1 2 2 ALA CB C 13 19.53 0.05 . 1 . . . . 675 ALA CB . 17917 1 12 . 1 1 2 2 ALA N N 15 125.74 0.05 . 1 . . . . 675 ALA N . 17917 1 13 . 1 1 3 3 SER H H 1 8.35 0.02 . 1 . . . . 676 SER H . 17917 1 14 . 1 1 3 3 SER C C 13 174.65 0.05 . 1 . . . . 676 SER C . 17917 1 15 . 1 1 3 3 SER CA C 13 58.41 0.05 . 1 . . . . 676 SER CA . 17917 1 16 . 1 1 3 3 SER CB C 13 64.14 0.05 . 1 . . . . 676 SER CB . 17917 1 17 . 1 1 3 3 SER N N 15 115.61 0.05 . 1 . . . . 676 SER N . 17917 1 18 . 1 1 4 4 THR H H 1 8.31 0.02 . 1 . . . . 677 THR H . 17917 1 19 . 1 1 4 4 THR HA H 1 4.89 0.02 . 1 . . . . 677 THR HA . 17917 1 20 . 1 1 4 4 THR C C 13 174.52 0.05 . 1 . . . . 677 THR C . 17917 1 21 . 1 1 4 4 THR CA C 13 61.45 0.05 . 1 . . . . 677 THR CA . 17917 1 22 . 1 1 4 4 THR CB C 13 70.78 0.05 . 1 . . . . 677 THR CB . 17917 1 23 . 1 1 4 4 THR N N 15 117.33 0.05 . 1 . . . . 677 THR N . 17917 1 24 . 1 1 5 5 ILE H H 1 8.02 0.02 . 1 . . . . 678 ILE H . 17917 1 25 . 1 1 5 5 ILE HA H 1 3.53 0.02 . 1 . . . . 678 ILE HA . 17917 1 26 . 1 1 5 5 ILE C C 13 172.76 0.05 . 1 . . . . 678 ILE C . 17917 1 27 . 1 1 5 5 ILE CA C 13 61.74 0.05 . 1 . . . . 678 ILE CA . 17917 1 28 . 1 1 5 5 ILE CB C 13 39.48 0.05 . 1 . . . . 678 ILE CB . 17917 1 29 . 1 1 5 5 ILE N N 15 126.81 0.05 . 1 . . . . 678 ILE N . 17917 1 30 . 1 1 6 6 THR H H 1 8.25 0.02 . 1 . . . . 679 THR H . 17917 1 31 . 1 1 6 6 THR HA H 1 4.70 0.02 . 1 . . . . 679 THR HA . 17917 1 32 . 1 1 6 6 THR C C 13 175.97 0.05 . 1 . . . . 679 THR C . 17917 1 33 . 1 1 6 6 THR CA C 13 59.67 0.05 . 1 . . . . 679 THR CA . 17917 1 34 . 1 1 6 6 THR CB C 13 73.76 0.05 . 1 . . . . 679 THR CB . 17917 1 35 . 1 1 6 6 THR N N 15 114.34 0.05 . 1 . . . . 679 THR N . 17917 1 36 . 1 1 7 7 GLU H H 1 8.99 0.02 . 1 . . . . 680 GLU H . 17917 1 37 . 1 1 7 7 GLU HA H 1 3.81 0.02 . 1 . . . . 680 GLU HA . 17917 1 38 . 1 1 7 7 GLU C C 13 178.40 0.05 . 1 . . . . 680 GLU C . 17917 1 39 . 1 1 7 7 GLU CA C 13 61.00 0.05 . 1 . . . . 680 GLU CA . 17917 1 40 . 1 1 7 7 GLU CB C 13 29.35 0.05 . 1 . . . . 680 GLU CB . 17917 1 41 . 1 1 7 7 GLU N N 15 120.11 0.05 . 1 . . . . 680 GLU N . 17917 1 42 . 1 1 8 8 LYS H H 1 8.05 0.02 . 1 . . . . 681 LYS H . 17917 1 43 . 1 1 8 8 LYS HA H 1 3.92 0.02 . 1 . . . . 681 LYS HA . 17917 1 44 . 1 1 8 8 LYS C C 13 178.13 0.05 . 1 . . . . 681 LYS C . 17917 1 45 . 1 1 8 8 LYS CA C 13 59.57 0.05 . 1 . . . . 681 LYS CA . 17917 1 46 . 1 1 8 8 LYS CB C 13 32.37 0.05 . 1 . . . . 681 LYS CB . 17917 1 47 . 1 1 8 8 LYS N N 15 117.63 0.05 . 1 . . . . 681 LYS N . 17917 1 48 . 1 1 9 9 ASP H H 1 7.36 0.02 . 1 . . . . 682 ASP H . 17917 1 49 . 1 1 9 9 ASP HA H 1 4.39 0.02 . 1 . . . . 682 ASP HA . 17917 1 50 . 1 1 9 9 ASP C C 13 179.57 0.05 . 1 . . . . 682 ASP C . 17917 1 51 . 1 1 9 9 ASP CA C 13 57.68 0.05 . 1 . . . . 682 ASP CA . 17917 1 52 . 1 1 9 9 ASP CB C 13 41.47 0.05 . 1 . . . . 682 ASP CB . 17917 1 53 . 1 1 9 9 ASP N N 15 116.73 0.05 . 1 . . . . 682 ASP N . 17917 1 54 . 1 1 10 10 ILE H H 1 7.28 0.02 . 1 . . . . 683 ILE H . 17917 1 55 . 1 1 10 10 ILE HA H 1 3.90 0.02 . 1 . . . . 683 ILE HA . 17917 1 56 . 1 1 10 10 ILE C C 13 177.00 0.05 . 1 . . . . 683 ILE C . 17917 1 57 . 1 1 10 10 ILE CA C 13 63.53 0.05 . 1 . . . . 683 ILE CA . 17917 1 58 . 1 1 10 10 ILE CB C 13 36.36 0.05 . 1 . . . . 683 ILE CB . 17917 1 59 . 1 1 10 10 ILE N N 15 119.78 0.05 . 1 . . . . 683 ILE N . 17917 1 60 . 1 1 11 11 ILE H H 1 8.34 0.02 . 1 . . . . 684 ILE H . 17917 1 61 . 1 1 11 11 ILE HA H 1 3.65 0.02 . 1 . . . . 684 ILE HA . 17917 1 62 . 1 1 11 11 ILE C C 13 179.89 0.05 . 1 . . . . 684 ILE C . 17917 1 63 . 1 1 11 11 ILE CA C 13 65.87 0.05 . 1 . . . . 684 ILE CA . 17917 1 64 . 1 1 11 11 ILE CB C 13 38.82 0.05 . 1 . . . . 684 ILE CB . 17917 1 65 . 1 1 11 11 ILE N N 15 120.87 0.05 . 1 . . . . 684 ILE N . 17917 1 66 . 1 1 12 12 GLU H H 1 8.39 0.02 . 1 . . . . 685 GLU H . 17917 1 67 . 1 1 12 12 GLU HA H 1 4.01 0.02 . 1 . . . . 685 GLU HA . 17917 1 68 . 1 1 12 12 GLU C C 13 178.47 0.05 . 1 . . . . 685 GLU C . 17917 1 69 . 1 1 12 12 GLU CA C 13 58.79 0.05 . 1 . . . . 685 GLU CA . 17917 1 70 . 1 1 12 12 GLU CB C 13 29.66 0.05 . 1 . . . . 685 GLU CB . 17917 1 71 . 1 1 12 12 GLU N N 15 117.76 0.05 . 1 . . . . 685 GLU N . 17917 1 72 . 1 1 13 13 ALA H H 1 7.55 0.02 . 1 . . . . 686 ALA H . 17917 1 73 . 1 1 13 13 ALA HA H 1 4.30 0.02 . 1 . . . . 686 ALA HA . 17917 1 74 . 1 1 13 13 ALA C C 13 178.99 0.05 . 1 . . . . 686 ALA C . 17917 1 75 . 1 1 13 13 ALA CA C 13 54.24 0.05 . 1 . . . . 686 ALA CA . 17917 1 76 . 1 1 13 13 ALA CB C 13 19.35 0.05 . 1 . . . . 686 ALA CB . 17917 1 77 . 1 1 13 13 ALA N N 15 119.50 0.05 . 1 . . . . 686 ALA N . 17917 1 78 . 1 1 14 14 ILE H H 1 7.93 0.02 . 1 . . . . 687 ILE H . 17917 1 79 . 1 1 14 14 ILE HA H 1 3.72 0.02 . 1 . . . . 687 ILE HA . 17917 1 80 . 1 1 14 14 ILE C C 13 177.30 0.05 . 1 . . . . 687 ILE C . 17917 1 81 . 1 1 14 14 ILE CA C 13 64.03 0.05 . 1 . . . . 687 ILE CA . 17917 1 82 . 1 1 14 14 ILE CB C 13 39.07 0.05 . 1 . . . . 687 ILE CB . 17917 1 83 . 1 1 14 14 ILE N N 15 117.09 0.05 . 1 . . . . 687 ILE N . 17917 1 84 . 1 1 15 15 GLY H H 1 7.95 0.02 . 1 . . . . 688 GLY H . 17917 1 85 . 1 1 15 15 GLY HA2 H 1 3.89 0.02 . 2 . . . . 688 GLY HA2 . 17917 1 86 . 1 1 15 15 GLY HA3 H 1 3.89 0.02 . 2 . . . . 688 GLY HA3 . 17917 1 87 . 1 1 15 15 GLY C C 13 174.52 0.05 . 1 . . . . 688 GLY C . 17917 1 88 . 1 1 15 15 GLY CA C 13 46.05 0.05 . 1 . . . . 688 GLY CA . 17917 1 89 . 1 1 15 15 GLY N N 15 107.28 0.05 . 1 . . . . 688 GLY N . 17917 1 90 . 1 1 16 16 ASP H H 1 8.46 0.02 . 1 . . . . 689 ASP H . 17917 1 91 . 1 1 16 16 ASP HA H 1 4.69 0.02 . 1 . . . . 689 ASP HA . 17917 1 92 . 1 1 16 16 ASP C C 13 177.11 0.05 . 1 . . . . 689 ASP C . 17917 1 93 . 1 1 16 16 ASP CA C 13 54.54 0.05 . 1 . . . . 689 ASP CA . 17917 1 94 . 1 1 16 16 ASP CB C 13 41.20 0.05 . 1 . . . . 689 ASP CB . 17917 1 95 . 1 1 16 16 ASP N N 15 121.50 0.05 . 1 . . . . 689 ASP N . 17917 1 96 . 1 1 17 17 GLY H H 1 7.98 0.02 . 1 . . . . 690 GLY H . 17917 1 97 . 1 1 17 17 GLY HA2 H 1 4.47 0.02 . 2 . . . . 690 GLY HA2 . 17917 1 98 . 1 1 17 17 GLY HA3 H 1 3.80 0.02 . 2 . . . . 690 GLY HA3 . 17917 1 99 . 1 1 17 17 GLY C C 13 173.01 0.05 . 1 . . . . 690 GLY C . 17917 1 100 . 1 1 17 17 GLY CA C 13 44.55 0.05 . 1 . . . . 690 GLY CA . 17917 1 101 . 1 1 17 17 GLY N N 15 108.49 0.05 . 1 . . . . 690 GLY N . 17917 1 102 . 1 1 18 18 LYS H H 1 8.24 0.02 . 1 . . . . 691 LYS H . 17917 1 103 . 1 1 18 18 LYS HA H 1 5.15 0.02 . 1 . . . . 691 LYS HA . 17917 1 104 . 1 1 18 18 LYS C C 13 177.22 0.05 . 1 . . . . 691 LYS C . 17917 1 105 . 1 1 18 18 LYS CA C 13 54.55 0.05 . 1 . . . . 691 LYS CA . 17917 1 106 . 1 1 18 18 LYS CB C 13 34.81 0.05 . 1 . . . . 691 LYS CB . 17917 1 107 . 1 1 18 18 LYS N N 15 118.35 0.05 . 1 . . . . 691 LYS N . 17917 1 108 . 1 1 19 19 VAL H H 1 8.91 0.02 . 1 . . . . 692 VAL H . 17917 1 109 . 1 1 19 19 VAL HA H 1 4.87 0.02 . 1 . . . . 692 VAL HA . 17917 1 110 . 1 1 19 19 VAL C C 13 175.31 0.05 . 1 . . . . 692 VAL C . 17917 1 111 . 1 1 19 19 VAL CA C 13 58.95 0.05 . 1 . . . . 692 VAL CA . 17917 1 112 . 1 1 19 19 VAL CB C 13 34.90 0.05 . 1 . . . . 692 VAL CB . 17917 1 113 . 1 1 19 19 VAL N N 15 114.47 0.05 . 1 . . . . 692 VAL N . 17917 1 114 . 1 1 20 20 ASN H H 1 9.17 0.02 . 1 . . . . 693 ASN H . 17917 1 115 . 1 1 20 20 ASN C C 13 175.84 0.05 . 1 . . . . 693 ASN C . 17917 1 116 . 1 1 20 20 ASN CA C 13 53.89 0.05 . 1 . . . . 693 ASN CA . 17917 1 117 . 1 1 20 20 ASN CB C 13 39.80 0.05 . 1 . . . . 693 ASN CB . 17917 1 118 . 1 1 20 20 ASN N N 15 124.87 0.05 . 1 . . . . 693 ASN N . 17917 1 119 . 1 1 21 21 ILE H H 1 8.42 0.02 . 1 . . . . 694 ILE H . 17917 1 120 . 1 1 21 21 ILE HA H 1 3.42 0.02 . 1 . . . . 694 ILE HA . 17917 1 121 . 1 1 21 21 ILE C C 13 178.27 0.05 . 1 . . . . 694 ILE C . 17917 1 122 . 1 1 21 21 ILE CA C 13 66.94 0.05 . 1 . . . . 694 ILE CA . 17917 1 123 . 1 1 21 21 ILE CB C 13 38.85 0.05 . 1 . . . . 694 ILE CB . 17917 1 124 . 1 1 21 21 ILE N N 15 128.46 0.05 . 1 . . . . 694 ILE N . 17917 1 125 . 1 1 22 22 LYS H H 1 8.43 0.02 . 1 . . . . 695 LYS H . 17917 1 126 . 1 1 22 22 LYS HA H 1 4.15 0.02 . 1 . . . . 695 LYS HA . 17917 1 127 . 1 1 22 22 LYS C C 13 180.72 0.05 . 1 . . . . 695 LYS C . 17917 1 128 . 1 1 22 22 LYS CA C 13 59.80 0.05 . 1 . . . . 695 LYS CA . 17917 1 129 . 1 1 22 22 LYS CB C 13 32.14 0.05 . 1 . . . . 695 LYS CB . 17917 1 130 . 1 1 22 22 LYS N N 15 121.89 0.05 . 1 . . . . 695 LYS N . 17917 1 131 . 1 1 23 23 GLU H H 1 8.63 0.02 . 1 . . . . 696 GLU H . 17917 1 132 . 1 1 23 23 GLU HA H 1 4.05 0.02 . 1 . . . . 696 GLU HA . 17917 1 133 . 1 1 23 23 GLU C C 13 179.89 0.05 . 1 . . . . 696 GLU C . 17917 1 134 . 1 1 23 23 GLU CA C 13 59.21 0.05 . 1 . . . . 696 GLU CA . 17917 1 135 . 1 1 23 23 GLU CB C 13 29.72 0.05 . 1 . . . . 696 GLU CB . 17917 1 136 . 1 1 23 23 GLU N N 15 120.56 0.05 . 1 . . . . 696 GLU N . 17917 1 137 . 1 1 24 24 PHE H H 1 9.07 0.02 . 1 . . . . 697 PHE H . 17917 1 138 . 1 1 24 24 PHE HA H 1 4.42 0.02 . 1 . . . . 697 PHE HA . 17917 1 139 . 1 1 24 24 PHE C C 13 177.64 0.05 . 1 . . . . 697 PHE C . 17917 1 140 . 1 1 24 24 PHE CA C 13 61.79 0.05 . 1 . . . . 697 PHE CA . 17917 1 141 . 1 1 24 24 PHE CB C 13 39.49 0.05 . 1 . . . . 697 PHE CB . 17917 1 142 . 1 1 24 24 PHE N N 15 122.62 0.05 . 1 . . . . 697 PHE N . 17917 1 143 . 1 1 25 25 GLY H H 1 8.40 0.02 . 1 . . . . 698 GLY H . 17917 1 144 . 1 1 25 25 GLY HA2 H 1 4.00 0.02 . 2 . . . . 698 GLY HA2 . 17917 1 145 . 1 1 25 25 GLY HA3 H 1 3.61 0.02 . 2 . . . . 698 GLY HA3 . 17917 1 146 . 1 1 25 25 GLY C C 13 176.12 0.05 . 1 . . . . 698 GLY C . 17917 1 147 . 1 1 25 25 GLY CA C 13 47.47 0.05 . 1 . . . . 698 GLY CA . 17917 1 148 . 1 1 25 25 GLY N N 15 105.64 0.05 . 1 . . . . 698 GLY N . 17917 1 149 . 1 1 26 26 LYS H H 1 7.51 0.02 . 1 . . . . 699 LYS H . 17917 1 150 . 1 1 26 26 LYS HA H 1 3.95 0.02 . 1 . . . . 699 LYS HA . 17917 1 151 . 1 1 26 26 LYS C C 13 178.94 0.05 . 1 . . . . 699 LYS C . 17917 1 152 . 1 1 26 26 LYS CA C 13 59.63 0.05 . 1 . . . . 699 LYS CA . 17917 1 153 . 1 1 26 26 LYS CB C 13 32.69 0.05 . 1 . . . . 699 LYS CB . 17917 1 154 . 1 1 26 26 LYS N N 15 120.41 0.05 . 1 . . . . 699 LYS N . 17917 1 155 . 1 1 27 27 PHE H H 1 7.78 0.02 . 1 . . . . 700 PHE H . 17917 1 156 . 1 1 27 27 PHE HA H 1 4.21 0.02 . 1 . . . . 700 PHE HA . 17917 1 157 . 1 1 27 27 PHE C C 13 177.88 0.05 . 1 . . . . 700 PHE C . 17917 1 158 . 1 1 27 27 PHE CA C 13 60.58 0.05 . 1 . . . . 700 PHE CA . 17917 1 159 . 1 1 27 27 PHE CB C 13 39.05 0.05 . 1 . . . . 700 PHE CB . 17917 1 160 . 1 1 27 27 PHE N N 15 120.40 0.05 . 1 . . . . 700 PHE N . 17917 1 161 . 1 1 28 28 ILE H H 1 8.51 0.02 . 1 . . . . 701 ILE H . 17917 1 162 . 1 1 28 28 ILE HA H 1 3.51 0.02 . 1 . . . . 701 ILE HA . 17917 1 163 . 1 1 28 28 ILE C C 13 177.81 0.05 . 1 . . . . 701 ILE C . 17917 1 164 . 1 1 28 28 ILE CA C 13 60.93 0.05 . 1 . . . . 701 ILE CA . 17917 1 165 . 1 1 28 28 ILE CB C 13 36.22 0.05 . 1 . . . . 701 ILE CB . 17917 1 166 . 1 1 28 28 ILE N N 15 120.02 0.05 . 1 . . . . 701 ILE N . 17917 1 167 . 1 1 29 29 ARG H H 1 7.82 0.02 . 1 . . . . 702 ARG H . 17917 1 168 . 1 1 29 29 ARG HA H 1 3.91 0.02 . 1 . . . . 702 ARG HA . 17917 1 169 . 1 1 29 29 ARG C C 13 178.06 0.05 . 1 . . . . 702 ARG C . 17917 1 170 . 1 1 29 29 ARG CA C 13 58.67 0.05 . 1 . . . . 702 ARG CA . 17917 1 171 . 1 1 29 29 ARG CB C 13 29.81 0.05 . 1 . . . . 702 ARG CB . 17917 1 172 . 1 1 29 29 ARG N N 15 118.75 0.05 . 1 . . . . 702 ARG N . 17917 1 173 . 1 1 30 30 ARG H H 1 7.15 0.02 . 1 . . . . 703 ARG H . 17917 1 174 . 1 1 30 30 ARG HA H 1 4.01 0.02 . 1 . . . . 703 ARG HA . 17917 1 175 . 1 1 30 30 ARG C C 13 177.91 0.05 . 1 . . . . 703 ARG C . 17917 1 176 . 1 1 30 30 ARG CA C 13 58.27 0.05 . 1 . . . . 703 ARG CA . 17917 1 177 . 1 1 30 30 ARG CB C 13 30.15 0.05 . 1 . . . . 703 ARG CB . 17917 1 178 . 1 1 30 30 ARG N N 15 116.75 0.05 . 1 . . . . 703 ARG N . 17917 1 179 . 1 1 31 31 LYS H H 1 7.26 0.02 . 1 . . . . 704 LYS H . 17917 1 180 . 1 1 31 31 LYS HA H 1 3.75 0.02 . 1 . . . . 704 LYS HA . 17917 1 181 . 1 1 31 31 LYS C C 13 176.01 0.05 . 1 . . . . 704 LYS C . 17917 1 182 . 1 1 31 31 LYS CA C 13 57.84 0.05 . 1 . . . . 704 LYS CA . 17917 1 183 . 1 1 31 31 LYS CB C 13 33.51 0.05 . 1 . . . . 704 LYS CB . 17917 1 184 . 1 1 31 31 LYS N N 15 118.33 0.05 . 1 . . . . 704 LYS N . 17917 1 185 . 1 1 32 32 TYR H H 1 8.12 0.02 . 1 . . . . 705 TYR H . 17917 1 186 . 1 1 32 32 TYR CA C 13 55.06 0.05 . 1 . . . . 705 TYR CA . 17917 1 187 . 1 1 32 32 TYR CB C 13 38.02 0.05 . 1 . . . . 705 TYR CB . 17917 1 188 . 1 1 32 32 TYR N N 15 116.58 0.05 . 1 . . . . 705 TYR N . 17917 1 189 . 1 1 33 33 PRO HA H 1 4.74 0.02 . 1 . . . . 706 PRO HA . 17917 1 190 . 1 1 33 33 PRO C C 13 179.26 0.05 . 1 . . . . 706 PRO C . 17917 1 191 . 1 1 33 33 PRO CA C 13 63.28 0.05 . 1 . . . . 706 PRO CA . 17917 1 192 . 1 1 33 33 PRO CB C 13 33.50 0.05 . 1 . . . . 706 PRO CB . 17917 1 193 . 1 1 34 34 GLY H H 1 8.53 0.02 . 1 . . . . 707 GLY H . 17917 1 194 . 1 1 34 34 GLY HA2 H 1 4.70 0.02 . 2 . . . . 707 GLY HA2 . 17917 1 195 . 1 1 34 34 GLY HA3 H 1 3.93 0.02 . 2 . . . . 707 GLY HA3 . 17917 1 196 . 1 1 34 34 GLY C C 13 176.08 0.05 . 1 . . . . 707 GLY C . 17917 1 197 . 1 1 34 34 GLY CA C 13 44.87 0.05 . 1 . . . . 707 GLY CA . 17917 1 198 . 1 1 34 34 GLY N N 15 108.11 0.05 . 1 . . . . 707 GLY N . 17917 1 199 . 1 1 35 35 ALA H H 1 8.69 0.02 . 1 . . . . 708 ALA H . 17917 1 200 . 1 1 35 35 ALA HA H 1 4.13 0.02 . 1 . . . . 708 ALA HA . 17917 1 201 . 1 1 35 35 ALA C C 13 181.21 0.05 . 1 . . . . 708 ALA C . 17917 1 202 . 1 1 35 35 ALA CA C 13 55.58 0.05 . 1 . . . . 708 ALA CA . 17917 1 203 . 1 1 35 35 ALA CB C 13 19.14 0.05 . 1 . . . . 708 ALA CB . 17917 1 204 . 1 1 35 35 ALA N N 15 124.13 0.05 . 1 . . . . 708 ALA N . 17917 1 205 . 1 1 36 36 GLU H H 1 8.74 0.02 . 1 . . . . 709 GLU H . 17917 1 206 . 1 1 36 36 GLU HA H 1 4.13 0.02 . 1 . . . . 709 GLU HA . 17917 1 207 . 1 1 36 36 GLU C C 13 179.55 0.05 . 1 . . . . 709 GLU C . 17917 1 208 . 1 1 36 36 GLU CA C 13 59.68 0.05 . 1 . . . . 709 GLU CA . 17917 1 209 . 1 1 36 36 GLU CB C 13 28.56 0.05 . 1 . . . . 709 GLU CB . 17917 1 210 . 1 1 36 36 GLU N N 15 120.28 0.05 . 1 . . . . 709 GLU N . 17917 1 211 . 1 1 37 37 ASN H H 1 8.50 0.02 . 1 . . . . 710 ASN H . 17917 1 212 . 1 1 37 37 ASN HA H 1 4.63 0.02 . 1 . . . . 710 ASN HA . 17917 1 213 . 1 1 37 37 ASN C C 13 177.57 0.05 . 1 . . . . 710 ASN C . 17917 1 214 . 1 1 37 37 ASN CA C 13 55.39 0.05 . 1 . . . . 710 ASN CA . 17917 1 215 . 1 1 37 37 ASN CB C 13 39.10 0.05 . 1 . . . . 710 ASN CB . 17917 1 216 . 1 1 37 37 ASN N N 15 118.17 0.05 . 1 . . . . 710 ASN N . 17917 1 217 . 1 1 38 38 LYS H H 1 7.80 0.02 . 1 . . . . 711 LYS H . 17917 1 218 . 1 1 38 38 LYS HA H 1 3.83 0.02 . 1 . . . . 711 LYS HA . 17917 1 219 . 1 1 38 38 LYS C C 13 177.93 0.05 . 1 . . . . 711 LYS C . 17917 1 220 . 1 1 38 38 LYS CA C 13 60.43 0.05 . 1 . . . . 711 LYS CA . 17917 1 221 . 1 1 38 38 LYS CB C 13 32.36 0.05 . 1 . . . . 711 LYS CB . 17917 1 222 . 1 1 38 38 LYS N N 15 121.91 0.05 . 1 . . . . 711 LYS N . 17917 1 223 . 1 1 39 39 LYS H H 1 7.59 0.02 . 1 . . . . 712 LYS H . 17917 1 224 . 1 1 39 39 LYS HA H 1 4.11 0.02 . 1 . . . . 712 LYS HA . 17917 1 225 . 1 1 39 39 LYS C C 13 180.64 0.05 . 1 . . . . 712 LYS C . 17917 1 226 . 1 1 39 39 LYS CA C 13 59.73 0.05 . 1 . . . . 712 LYS CA . 17917 1 227 . 1 1 39 39 LYS CB C 13 32.54 0.05 . 1 . . . . 712 LYS CB . 17917 1 228 . 1 1 39 39 LYS N N 15 118.11 0.05 . 1 . . . . 712 LYS N . 17917 1 229 . 1 1 40 40 LEU H H 1 8.15 0.02 . 1 . . . . 713 LEU H . 17917 1 230 . 1 1 40 40 LEU HA H 1 4.15 0.02 . 1 . . . . 713 LEU HA . 17917 1 231 . 1 1 40 40 LEU C C 13 179.13 0.05 . 1 . . . . 713 LEU C . 17917 1 232 . 1 1 40 40 LEU CA C 13 57.79 0.05 . 1 . . . . 713 LEU CA . 17917 1 233 . 1 1 40 40 LEU CB C 13 42.50 0.05 . 1 . . . . 713 LEU CB . 17917 1 234 . 1 1 40 40 LEU N N 15 120.63 0.05 . 1 . . . . 713 LEU N . 17917 1 235 . 1 1 41 41 MET H H 1 8.70 0.02 . 1 . . . . 714 MET H . 17917 1 236 . 1 1 41 41 MET HA H 1 3.74 0.02 . 1 . . . . 714 MET HA . 17917 1 237 . 1 1 41 41 MET C C 13 177.84 0.05 . 1 . . . . 714 MET C . 17917 1 238 . 1 1 41 41 MET CA C 13 60.09 0.05 . 1 . . . . 714 MET CA . 17917 1 239 . 1 1 41 41 MET CB C 13 31.23 0.05 . 1 . . . . 714 MET CB . 17917 1 240 . 1 1 41 41 MET N N 15 118.59 0.05 . 1 . . . . 714 MET N . 17917 1 241 . 1 1 42 42 PHE H H 1 8.06 0.02 . 1 . . . . 715 PHE H . 17917 1 242 . 1 1 42 42 PHE HA H 1 4.28 0.02 . 1 . . . . 715 PHE HA . 17917 1 243 . 1 1 42 42 PHE C C 13 178.75 0.05 . 1 . . . . 715 PHE C . 17917 1 244 . 1 1 42 42 PHE CA C 13 61.24 0.05 . 1 . . . . 715 PHE CA . 17917 1 245 . 1 1 42 42 PHE CB C 13 38.53 0.05 . 1 . . . . 715 PHE CB . 17917 1 246 . 1 1 42 42 PHE N N 15 117.63 0.05 . 1 . . . . 715 PHE N . 17917 1 247 . 1 1 43 43 ALA H H 1 7.69 0.02 . 1 . . . . 716 ALA H . 17917 1 248 . 1 1 43 43 ALA HA H 1 4.13 0.02 . 1 . . . . 716 ALA HA . 17917 1 249 . 1 1 43 43 ALA C C 13 180.64 0.05 . 1 . . . . 716 ALA C . 17917 1 250 . 1 1 43 43 ALA CA C 13 55.17 0.05 . 1 . . . . 716 ALA CA . 17917 1 251 . 1 1 43 43 ALA CB C 13 18.47 0.05 . 1 . . . . 716 ALA CB . 17917 1 252 . 1 1 43 43 ALA N N 15 121.58 0.05 . 1 . . . . 716 ALA N . 17917 1 253 . 1 1 44 44 ILE H H 1 8.74 0.02 . 1 . . . . 717 ILE H . 17917 1 254 . 1 1 44 44 ILE HA H 1 3.71 0.02 . 1 . . . . 717 ILE HA . 17917 1 255 . 1 1 44 44 ILE C C 13 178.57 0.05 . 1 . . . . 717 ILE C . 17917 1 256 . 1 1 44 44 ILE CA C 13 65.82 0.05 . 1 . . . . 717 ILE CA . 17917 1 257 . 1 1 44 44 ILE CB C 13 38.48 0.05 . 1 . . . . 717 ILE CB . 17917 1 258 . 1 1 44 44 ILE N N 15 120.28 0.05 . 1 . . . . 717 ILE N . 17917 1 259 . 1 1 45 45 VAL H H 1 8.71 0.02 . 1 . . . . 718 VAL H . 17917 1 260 . 1 1 45 45 VAL HA H 1 3.67 0.02 . 1 . . . . 718 VAL HA . 17917 1 261 . 1 1 45 45 VAL C C 13 178.37 0.05 . 1 . . . . 718 VAL C . 17917 1 262 . 1 1 45 45 VAL CA C 13 66.95 0.05 . 1 . . . . 718 VAL CA . 17917 1 263 . 1 1 45 45 VAL CB C 13 31.65 0.05 . 1 . . . . 718 VAL CB . 17917 1 264 . 1 1 45 45 VAL N N 15 119.67 0.05 . 1 . . . . 718 VAL N . 17917 1 265 . 1 1 46 46 LYS H H 1 7.66 0.02 . 1 . . . . 719 LYS H . 17917 1 266 . 1 1 46 46 LYS HA H 1 4.04 0.02 . 1 . . . . 719 LYS HA . 17917 1 267 . 1 1 46 46 LYS C C 13 178.24 0.05 . 1 . . . . 719 LYS C . 17917 1 268 . 1 1 46 46 LYS CA C 13 59.02 0.05 . 1 . . . . 719 LYS CA . 17917 1 269 . 1 1 46 46 LYS CB C 13 32.26 0.05 . 1 . . . . 719 LYS CB . 17917 1 270 . 1 1 46 46 LYS N N 15 118.80 0.05 . 1 . . . . 719 LYS N . 17917 1 271 . 1 1 47 47 LYS H H 1 7.37 0.02 . 1 . . . . 720 LYS H . 17917 1 272 . 1 1 47 47 LYS HA H 1 4.22 0.02 . 1 . . . . 720 LYS HA . 17917 1 273 . 1 1 47 47 LYS C C 13 179.06 0.05 . 1 . . . . 720 LYS C . 17917 1 274 . 1 1 47 47 LYS CA C 13 58.82 0.05 . 1 . . . . 720 LYS CA . 17917 1 275 . 1 1 47 47 LYS CB C 13 33.79 0.05 . 1 . . . . 720 LYS CB . 17917 1 276 . 1 1 47 47 LYS N N 15 117.16 0.05 . 1 . . . . 720 LYS N . 17917 1 277 . 1 1 48 48 LEU H H 1 8.48 0.02 . 1 . . . . 721 LEU H . 17917 1 278 . 1 1 48 48 LEU HA H 1 4.46 0.02 . 1 . . . . 721 LEU HA . 17917 1 279 . 1 1 48 48 LEU C C 13 178.97 0.05 . 1 . . . . 721 LEU C . 17917 1 280 . 1 1 48 48 LEU CA C 13 56.49 0.05 . 1 . . . . 721 LEU CA . 17917 1 281 . 1 1 48 48 LEU CB C 13 45.19 0.05 . 1 . . . . 721 LEU CB . 17917 1 282 . 1 1 48 48 LEU N N 15 114.57 0.05 . 1 . . . . 721 LEU N . 17917 1 283 . 1 1 49 49 CYS H H 1 8.28 0.02 . 1 . . . . 722 CYS H . 17917 1 284 . 1 1 49 49 CYS HA H 1 5.30 0.02 . 1 . . . . 722 CYS HA . 17917 1 285 . 1 1 49 49 CYS C C 13 173.40 0.05 . 1 . . . . 722 CYS C . 17917 1 286 . 1 1 49 49 CYS CA C 13 58.46 0.05 . 1 . . . . 722 CYS CA . 17917 1 287 . 1 1 49 49 CYS CB C 13 31.68 0.05 . 1 . . . . 722 CYS CB . 17917 1 288 . 1 1 49 49 CYS N N 15 115.58 0.05 . 1 . . . . 722 CYS N . 17917 1 289 . 1 1 50 50 ARG H H 1 9.10 0.02 . 1 . . . . 723 ARG H . 17917 1 290 . 1 1 50 50 ARG HA H 1 4.81 0.02 . 1 . . . . 723 ARG HA . 17917 1 291 . 1 1 50 50 ARG C C 13 175.12 0.05 . 1 . . . . 723 ARG C . 17917 1 292 . 1 1 50 50 ARG CA C 13 53.65 0.05 . 1 . . . . 723 ARG CA . 17917 1 293 . 1 1 50 50 ARG CB C 13 33.79 0.05 . 1 . . . . 723 ARG CB . 17917 1 294 . 1 1 50 50 ARG N N 15 118.21 0.05 . 1 . . . . 723 ARG N . 17917 1 295 . 1 1 51 51 LYS H H 1 8.71 0.02 . 1 . . . . 724 LYS H . 17917 1 296 . 1 1 51 51 LYS HA H 1 4.44 0.02 . 1 . . . . 724 LYS HA . 17917 1 297 . 1 1 51 51 LYS C C 13 176.76 0.05 . 1 . . . . 724 LYS C . 17917 1 298 . 1 1 51 51 LYS CA C 13 57.63 0.05 . 1 . . . . 724 LYS CA . 17917 1 299 . 1 1 51 51 LYS CB C 13 33.01 0.05 . 1 . . . . 724 LYS CB . 17917 1 300 . 1 1 51 51 LYS N N 15 123.60 0.05 . 1 . . . . 724 LYS N . 17917 1 301 . 1 1 52 52 VAL H H 1 8.34 0.02 . 1 . . . . 725 VAL H . 17917 1 302 . 1 1 52 52 VAL HA H 1 4.17 0.02 . 1 . . . . 725 VAL HA . 17917 1 303 . 1 1 52 52 VAL C C 13 176.09 0.05 . 1 . . . . 725 VAL C . 17917 1 304 . 1 1 52 52 VAL CA C 13 61.48 0.05 . 1 . . . . 725 VAL CA . 17917 1 305 . 1 1 52 52 VAL CB C 13 33.15 0.05 . 1 . . . . 725 VAL CB . 17917 1 306 . 1 1 52 52 VAL N N 15 124.52 0.05 . 1 . . . . 725 VAL N . 17917 1 307 . 1 1 53 53 GLY H H 1 8.59 0.02 . 1 . . . . 726 GLY H . 17917 1 308 . 1 1 53 53 GLY HA2 H 1 4.16 0.02 . 2 . . . . 726 GLY HA2 . 17917 1 309 . 1 1 53 53 GLY HA3 H 1 3.79 0.02 . 2 . . . . 726 GLY HA3 . 17917 1 310 . 1 1 53 53 GLY C C 13 174.10 0.05 . 1 . . . . 726 GLY C . 17917 1 311 . 1 1 53 53 GLY CA C 13 45.43 0.05 . 1 . . . . 726 GLY CA . 17917 1 312 . 1 1 53 53 GLY N N 15 114.53 0.05 . 1 . . . . 726 GLY N . 17917 1 313 . 1 1 54 54 ASN H H 1 8.94 0.02 . 1 . . . . 727 ASN H . 17917 1 314 . 1 1 54 54 ASN HA H 1 4.74 0.02 . 1 . . . . 727 ASN HA . 17917 1 315 . 1 1 54 54 ASN C C 13 177.42 0.05 . 1 . . . . 727 ASN C . 17917 1 316 . 1 1 54 54 ASN CA C 13 54.96 0.05 . 1 . . . . 727 ASN CA . 17917 1 317 . 1 1 54 54 ASN CB C 13 39.64 0.05 . 1 . . . . 727 ASN CB . 17917 1 318 . 1 1 54 54 ASN N N 15 117.95 0.05 . 1 . . . . 727 ASN N . 17917 1 319 . 1 1 55 55 ASP H H 1 8.75 0.02 . 1 . . . . 728 ASP H . 17917 1 320 . 1 1 55 55 ASP HA H 1 4.95 0.02 . 1 . . . . 728 ASP HA . 17917 1 321 . 1 1 55 55 ASP C C 13 176.24 0.05 . 1 . . . . 728 ASP C . 17917 1 322 . 1 1 55 55 ASP CA C 13 54.59 0.05 . 1 . . . . 728 ASP CA . 17917 1 323 . 1 1 55 55 ASP CB C 13 43.05 0.05 . 1 . . . . 728 ASP CB . 17917 1 324 . 1 1 55 55 ASP N N 15 114.69 0.05 . 1 . . . . 728 ASP N . 17917 1 325 . 1 1 56 56 HIS H H 1 7.61 0.02 . 1 . . . . 729 HIS H . 17917 1 326 . 1 1 56 56 HIS HA H 1 5.77 0.02 . 1 . . . . 729 HIS HA . 17917 1 327 . 1 1 56 56 HIS C C 13 174.13 0.05 . 1 . . . . 729 HIS C . 17917 1 328 . 1 1 56 56 HIS CA C 13 56.47 0.05 . 1 . . . . 729 HIS CA . 17917 1 329 . 1 1 56 56 HIS CB C 13 34.34 0.05 . 1 . . . . 729 HIS CB . 17917 1 330 . 1 1 56 56 HIS N N 15 118.00 0.05 . 1 . . . . 729 HIS N . 17917 1 331 . 1 1 57 57 MET H H 1 9.15 0.02 . 1 . . . . 730 MET H . 17917 1 332 . 1 1 57 57 MET HA H 1 5.33 0.02 . 1 . . . . 730 MET HA . 17917 1 333 . 1 1 57 57 MET C C 13 172.14 0.05 . 1 . . . . 730 MET C . 17917 1 334 . 1 1 57 57 MET CA C 13 55.04 0.05 . 1 . . . . 730 MET CA . 17917 1 335 . 1 1 57 57 MET CB C 13 35.95 0.05 . 1 . . . . 730 MET CB . 17917 1 336 . 1 1 57 57 MET N N 15 115.15 0.05 . 1 . . . . 730 MET N . 17917 1 337 . 1 1 58 58 GLU H H 1 8.78 0.02 . 1 . . . . 731 GLU H . 17917 1 338 . 1 1 58 58 GLU HA H 1 4.91 0.02 . 1 . . . . 731 GLU HA . 17917 1 339 . 1 1 58 58 GLU C C 13 175.45 0.05 . 1 . . . . 731 GLU C . 17917 1 340 . 1 1 58 58 GLU CA C 13 53.43 0.05 . 1 . . . . 731 GLU CA . 17917 1 341 . 1 1 58 58 GLU CB C 13 33.66 0.05 . 1 . . . . 731 GLU CB . 17917 1 342 . 1 1 58 58 GLU N N 15 116.41 0.05 . 1 . . . . 731 GLU N . 17917 1 343 . 1 1 59 59 LEU H H 1 9.13 0.02 . 1 . . . . 732 LEU H . 17917 1 344 . 1 1 59 59 LEU HA H 1 4.50 0.02 . 1 . . . . 732 LEU HA . 17917 1 345 . 1 1 59 59 LEU C C 13 178.47 0.05 . 1 . . . . 732 LEU C . 17917 1 346 . 1 1 59 59 LEU CA C 13 55.62 0.05 . 1 . . . . 732 LEU CA . 17917 1 347 . 1 1 59 59 LEU CB C 13 41.90 0.05 . 1 . . . . 732 LEU CB . 17917 1 348 . 1 1 59 59 LEU N N 15 120.86 0.05 . 1 . . . . 732 LEU N . 17917 1 349 . 1 1 60 60 LYS H H 1 8.72 0.02 . 1 . . . . 733 LYS H . 17917 1 350 . 1 1 60 60 LYS HA H 1 3.98 0.02 . 1 . . . . 733 LYS HA . 17917 1 351 . 1 1 60 60 LYS C C 13 176.72 0.05 . 1 . . . . 733 LYS C . 17917 1 352 . 1 1 60 60 LYS CA C 13 57.76 0.05 . 1 . . . . 733 LYS CA . 17917 1 353 . 1 1 60 60 LYS CB C 13 33.13 0.05 . 1 . . . . 733 LYS CB . 17917 1 354 . 1 1 60 60 LYS N N 15 122.12 0.05 . 1 . . . . 733 LYS N . 17917 1 355 . 1 1 61 61 LYS H H 1 8.23 0.02 . 1 . . . . 734 LYS H . 17917 1 356 . 1 1 61 61 LYS HA H 1 4.38 0.02 . 1 . . . . 734 LYS HA . 17917 1 357 . 1 1 61 61 LYS C C 13 175.66 0.05 . 1 . . . . 734 LYS C . 17917 1 358 . 1 1 61 61 LYS CA C 13 56.00 0.05 . 1 . . . . 734 LYS CA . 17917 1 359 . 1 1 61 61 LYS CB C 13 33.18 0.05 . 1 . . . . 734 LYS CB . 17917 1 360 . 1 1 61 61 LYS N N 15 122.97 0.05 . 1 . . . . 734 LYS N . 17917 1 361 . 1 1 62 62 GLU H H 1 7.97 0.02 . 1 . . . . 735 GLU H . 17917 1 362 . 1 1 62 62 GLU CA C 13 57.95 0.05 . 1 . . . . 735 GLU CA . 17917 1 363 . 1 1 62 62 GLU CB C 13 31.07 0.05 . 1 . . . . 735 GLU CB . 17917 1 364 . 1 1 62 62 GLU N N 15 126.24 0.05 . 1 . . . . 735 GLU N . 17917 1 stop_ save_