data_50218 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50218 _Entry.Title ; UvrD_CTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-29 _Entry.Accession_date 2020-03-29 _Entry.Last_release_date 2020-03-30 _Entry.Original_release_date 2020-03-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ashish Kawale . A. . 0000-0002-5074-680X 50218 2 Bjorn Burmann . M. . 0000-0002-3135-7964 50218 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wallenberg Centre for Molecular and Translational Medicine' . 50218 2 . 'Department of Chemistry and Molecular Biology, University of Gothenburg' . 50218 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50218 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 50218 '15N chemical shifts' 71 50218 '1H chemical shifts' 482 50218 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 2 . . 2020-11-30 2020-03-29 update BMRB 'update entry citation' 50218 1 . . 2020-10-12 2020-03-29 original author 'original release' 50218 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50219 'Mfd RID' 50218 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50218 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33154434 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; UvrD helicase-RNA polymerase interactions are governed by UvrD's carboxy-terminal Tudor domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _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 607 _Citation.Page_last 607 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ashish Kawale . A. . . 50218 1 2 Bjorn Burmann . M. . . 50218 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'UvrD, Tudor, TCR, DNA repair' 50218 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50218 _Assembly.ID 1 _Assembly.Name UvrD_CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 UvrD_CTD 1 $entity_1 . . yes native no no . . . 50218 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50218 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; RLRATVSRPVSHQRMGTPMV ENDSGYKLGQRVRHAKFGEG TIVNMEGSGEHSRLQVAFQG QGIKWLVAAYARLESV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 645 _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 645 ARG . 50218 1 2 646 LEU . 50218 1 3 647 ARG . 50218 1 4 648 ALA . 50218 1 5 649 THR . 50218 1 6 650 VAL . 50218 1 7 651 SER . 50218 1 8 652 ARG . 50218 1 9 653 PRO . 50218 1 10 654 VAL . 50218 1 11 655 SER . 50218 1 12 656 HIS . 50218 1 13 657 GLN . 50218 1 14 658 ARG . 50218 1 15 659 MET . 50218 1 16 660 GLY . 50218 1 17 661 THR . 50218 1 18 662 PRO . 50218 1 19 663 MET . 50218 1 20 664 VAL . 50218 1 21 665 GLU . 50218 1 22 666 ASN . 50218 1 23 667 ASP . 50218 1 24 668 SER . 50218 1 25 669 GLY . 50218 1 26 670 TYR . 50218 1 27 671 LYS . 50218 1 28 672 LEU . 50218 1 29 673 GLY . 50218 1 30 674 GLN . 50218 1 31 675 ARG . 50218 1 32 676 VAL . 50218 1 33 677 ARG . 50218 1 34 678 HIS . 50218 1 35 679 ALA . 50218 1 36 680 LYS . 50218 1 37 681 PHE . 50218 1 38 682 GLY . 50218 1 39 683 GLU . 50218 1 40 684 GLY . 50218 1 41 685 THR . 50218 1 42 686 ILE . 50218 1 43 687 VAL . 50218 1 44 688 ASN . 50218 1 45 689 MET . 50218 1 46 690 GLU . 50218 1 47 691 GLY . 50218 1 48 692 SER . 50218 1 49 693 GLY . 50218 1 50 694 GLU . 50218 1 51 695 HIS . 50218 1 52 696 SER . 50218 1 53 697 ARG . 50218 1 54 698 LEU . 50218 1 55 699 GLN . 50218 1 56 700 VAL . 50218 1 57 701 ALA . 50218 1 58 702 PHE . 50218 1 59 703 GLN . 50218 1 60 704 GLY . 50218 1 61 705 GLN . 50218 1 62 706 GLY . 50218 1 63 707 ILE . 50218 1 64 708 LYS . 50218 1 65 709 TRP . 50218 1 66 710 LEU . 50218 1 67 711 VAL . 50218 1 68 712 ALA . 50218 1 69 713 ALA . 50218 1 70 714 TYR . 50218 1 71 715 ALA . 50218 1 72 716 ARG . 50218 1 73 717 LEU . 50218 1 74 718 GLU . 50218 1 75 719 SER . 50218 1 76 720 VAL . 50218 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 . ARG 1 1 50218 1 . LEU 2 2 50218 1 . ARG 3 3 50218 1 . ALA 4 4 50218 1 . THR 5 5 50218 1 . VAL 6 6 50218 1 . SER 7 7 50218 1 . ARG 8 8 50218 1 . PRO 9 9 50218 1 . VAL 10 10 50218 1 . SER 11 11 50218 1 . HIS 12 12 50218 1 . GLN 13 13 50218 1 . ARG 14 14 50218 1 . MET 15 15 50218 1 . GLY 16 16 50218 1 . THR 17 17 50218 1 . PRO 18 18 50218 1 . MET 19 19 50218 1 . VAL 20 20 50218 1 . GLU 21 21 50218 1 . ASN 22 22 50218 1 . ASP 23 23 50218 1 . SER 24 24 50218 1 . GLY 25 25 50218 1 . TYR 26 26 50218 1 . LYS 27 27 50218 1 . LEU 28 28 50218 1 . GLY 29 29 50218 1 . GLN 30 30 50218 1 . ARG 31 31 50218 1 . VAL 32 32 50218 1 . ARG 33 33 50218 1 . HIS 34 34 50218 1 . ALA 35 35 50218 1 . LYS 36 36 50218 1 . PHE 37 37 50218 1 . GLY 38 38 50218 1 . GLU 39 39 50218 1 . GLY 40 40 50218 1 . THR 41 41 50218 1 . ILE 42 42 50218 1 . VAL 43 43 50218 1 . ASN 44 44 50218 1 . MET 45 45 50218 1 . GLU 46 46 50218 1 . GLY 47 47 50218 1 . SER 48 48 50218 1 . GLY 49 49 50218 1 . GLU 50 50 50218 1 . HIS 51 51 50218 1 . SER 52 52 50218 1 . ARG 53 53 50218 1 . LEU 54 54 50218 1 . GLN 55 55 50218 1 . VAL 56 56 50218 1 . ALA 57 57 50218 1 . PHE 58 58 50218 1 . GLN 59 59 50218 1 . GLY 60 60 50218 1 . GLN 61 61 50218 1 . GLY 62 62 50218 1 . ILE 63 63 50218 1 . LYS 64 64 50218 1 . TRP 65 65 50218 1 . LEU 66 66 50218 1 . VAL 67 67 50218 1 . ALA 68 68 50218 1 . ALA 69 69 50218 1 . TYR 70 70 50218 1 . ALA 71 71 50218 1 . ARG 72 72 50218 1 . LEU 73 73 50218 1 . GLU 74 74 50218 1 . SER 75 75 50218 1 . VAL 76 76 50218 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50218 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . uvrD . 50218 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50218 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pLysS' . . plasmid . . pET28b(+) . . . 50218 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50218 _Sample.ID 1 _Sample.Name UvrD_CTD _Sample.Type solution _Sample.Sub_type . _Sample.Details ; [KH2PO4 ]: 13.3 mM [K2HPO4 ]: 0.7 mM ; _Sample.Aggregate_sample_number 1 _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 UvrD_CTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 650 . . uM . . . . 50218 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 50218 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 50218 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 50218 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'UvrD_CTD sample conditions' _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' 0.070 . M 50218 1 pH 6.5 . pH 50218 1 pressure 1 . atm 50218 1 temperature 310 . K 50218 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50218 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.413 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50218 1 . 'data analysis' 50218 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50218 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50218 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50218 _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-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 9 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 10 '2D HBCBCGCDCEHE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 11 '15N-(1H) NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 12 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50218 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50218 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name UvrD_CTD _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50218 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50218 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50218 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50218 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UvrD_CTD _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 $chem_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 2 '2D 1H-13C HSQC' . . . 50218 1 3 '3D CBCA(CO)NH' . . . 50218 1 4 '3D HNCACB' . . . 50218 1 5 '3D HCCH-TOCSY' . . . 50218 1 12 '3D HCACO' . . . 50218 1 13 '3D 1H-15N NOESY' . . . 50218 1 14 '2D 1H-15N HSQC' . . . 50218 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50218 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ARG H H 1 8.195 0.00 . . . . . . . 645 ARG HN . 50218 1 2 . 1 . 1 1 1 ARG HA H 1 4.318 0.00 . . . . . . . 645 ARG HA . 50218 1 3 . 1 . 1 1 1 ARG HB2 H 1 1.831 0.00 . . . . . . . 645 ARG HB2 . 50218 1 4 . 1 . 1 1 1 ARG HB3 H 1 1.751 0.00 . . . . . . . 645 ARG HB3 . 50218 1 5 . 1 . 1 1 1 ARG HD2 H 1 3.158 0.00 . . . . . . . 645 ARG HD# . 50218 1 6 . 1 . 1 1 1 ARG HD3 H 1 3.158 0.00 . . . . . . . 645 ARG HD# . 50218 1 7 . 1 . 1 1 1 ARG C C 13 176.243 0.01 . . . . . . . 645 ARG CO . 50218 1 8 . 1 . 1 1 1 ARG CA C 13 56.149 0.00 . . . . . . . 645 ARG CA . 50218 1 9 . 1 . 1 1 1 ARG CB C 13 30.557 0.02 . . . . . . . 645 ARG CB . 50218 1 10 . 1 . 1 1 1 ARG CD C 13 43.196 0.00 . . . . . . . 645 ARG CD . 50218 1 11 . 1 . 1 1 1 ARG N N 15 120.668 0.02 . . . . . . . 645 ARG N . 50218 1 12 . 1 . 1 2 2 LEU H H 1 8.185 0.00 . . . . . . . 646 LEU HN . 50218 1 13 . 1 . 1 2 2 LEU HA H 1 4.333 0.02 . . . . . . . 646 LEU HA . 50218 1 14 . 1 . 1 2 2 LEU HB2 H 1 1.631 0.02 . . . . . . . 646 LEU HB2 . 50218 1 15 . 1 . 1 2 2 LEU HB3 H 1 1.572 0.02 . . . . . . . 646 LEU HB3 . 50218 1 16 . 1 . 1 2 2 LEU HG H 1 1.602 0.01 . . . . . . . 646 LEU HG . 50218 1 17 . 1 . 1 2 2 LEU HD11 H 1 0.900 0.02 . . . . . . . 646 LEU HD1# . 50218 1 18 . 1 . 1 2 2 LEU HD12 H 1 0.900 0.02 . . . . . . . 646 LEU HD1# . 50218 1 19 . 1 . 1 2 2 LEU HD13 H 1 0.900 0.02 . . . . . . . 646 LEU HD1# . 50218 1 20 . 1 . 1 2 2 LEU HD21 H 1 0.855 0.01 . . . . . . . 646 LEU HD2# . 50218 1 21 . 1 . 1 2 2 LEU HD22 H 1 0.855 0.01 . . . . . . . 646 LEU HD2# . 50218 1 22 . 1 . 1 2 2 LEU HD23 H 1 0.855 0.01 . . . . . . . 646 LEU HD2# . 50218 1 23 . 1 . 1 2 2 LEU C C 13 177.085 0.00 . . . . . . . 646 LEU CO . 50218 1 24 . 1 . 1 2 2 LEU CA C 13 55.274 0.09 . . . . . . . 646 LEU CA . 50218 1 25 . 1 . 1 2 2 LEU CB C 13 42.321 0.11 . . . . . . . 646 LEU CB . 50218 1 26 . 1 . 1 2 2 LEU CG C 13 27.029 0.07 . . . . . . . 646 LEU CG . 50218 1 27 . 1 . 1 2 2 LEU CD1 C 13 24.770 0.10 . . . . . . . 646 LEU CD1 . 50218 1 28 . 1 . 1 2 2 LEU CD2 C 13 23.580 0.08 . . . . . . . 646 LEU CD2 . 50218 1 29 . 1 . 1 2 2 LEU N N 15 123.057 0.04 . . . . . . . 646 LEU N . 50218 1 30 . 1 . 1 3 3 ARG H H 1 8.209 0.00 . . . . . . . 647 ARG HN . 50218 1 31 . 1 . 1 3 3 ARG HA H 1 4.323 0.00 . . . . . . . 647 ARG HA . 50218 1 32 . 1 . 1 3 3 ARG HB2 H 1 1.870 0.00 . . . . . . . 647 ARG HB2 . 50218 1 33 . 1 . 1 3 3 ARG HB3 H 1 1.792 0.00 . . . . . . . 647 ARG HB3 . 50218 1 34 . 1 . 1 3 3 ARG HD2 H 1 3.158 0.00 . . . . . . . 647 ARG HD# . 50218 1 35 . 1 . 1 3 3 ARG HD3 H 1 3.158 0.00 . . . . . . . 647 ARG HD# . 50218 1 36 . 1 . 1 3 3 ARG C C 13 175.669 0.02 . . . . . . . 647 ARG CO . 50218 1 37 . 1 . 1 3 3 ARG CA C 13 55.928 0.00 . . . . . . . 647 ARG CA . 50218 1 38 . 1 . 1 3 3 ARG CB C 13 30.802 0.02 . . . . . . . 647 ARG CB . 50218 1 39 . 1 . 1 3 3 ARG CD C 13 43.196 0.00 . . . . . . . 647 ARG CD . 50218 1 40 . 1 . 1 3 3 ARG N N 15 122.012 0.02 . . . . . . . 647 ARG N . 50218 1 41 . 1 . 1 4 4 ALA H H 1 8.224 0.00 . . . . . . . 648 ALA HN . 50218 1 42 . 1 . 1 4 4 ALA HA H 1 4.354 0.00 . . . . . . . 648 ALA HA . 50218 1 43 . 1 . 1 4 4 ALA HB1 H 1 1.401 0.02 . . . . . . . 648 ALA HB# . 50218 1 44 . 1 . 1 4 4 ALA HB2 H 1 1.401 0.02 . . . . . . . 648 ALA HB# . 50218 1 45 . 1 . 1 4 4 ALA HB3 H 1 1.401 0.02 . . . . . . . 648 ALA HB# . 50218 1 46 . 1 . 1 4 4 ALA C C 13 177.596 0.01 . . . . . . . 648 ALA CO . 50218 1 47 . 1 . 1 4 4 ALA CA C 13 52.442 0.10 . . . . . . . 648 ALA CA . 50218 1 48 . 1 . 1 4 4 ALA CB C 13 19.407 0.12 . . . . . . . 648 ALA CB . 50218 1 49 . 1 . 1 4 4 ALA N N 15 125.205 0.03 . . . . . . . 648 ALA N . 50218 1 50 . 1 . 1 5 5 THR H H 1 8.075 0.00 . . . . . . . 649 THR HN . 50218 1 51 . 1 . 1 5 5 THR HA H 1 4.353 0.02 . . . . . . . 649 THR HA . 50218 1 52 . 1 . 1 5 5 THR HB H 1 4.203 0.02 . . . . . . . 649 THR HB . 50218 1 53 . 1 . 1 5 5 THR HG21 H 1 1.205 0.02 . . . . . . . 649 THR HG2# . 50218 1 54 . 1 . 1 5 5 THR HG22 H 1 1.205 0.02 . . . . . . . 649 THR HG2# . 50218 1 55 . 1 . 1 5 5 THR HG23 H 1 1.205 0.02 . . . . . . . 649 THR HG2# . 50218 1 56 . 1 . 1 5 5 THR C C 13 174.344 0.01 . . . . . . . 649 THR CO . 50218 1 57 . 1 . 1 5 5 THR CA C 13 61.831 0.08 . . . . . . . 649 THR CA . 50218 1 58 . 1 . 1 5 5 THR CB C 13 69.880 0.09 . . . . . . . 649 THR CB . 50218 1 59 . 1 . 1 5 5 THR CG2 C 13 21.628 0.11 . . . . . . . 649 THR CG2 . 50218 1 60 . 1 . 1 5 5 THR N N 15 113.920 0.01 . . . . . . . 649 THR N . 50218 1 61 . 1 . 1 6 6 VAL H H 1 8.045 0.00 . . . . . . . 650 VAL HN . 50218 1 62 . 1 . 1 6 6 VAL HA H 1 4.211 0.02 . . . . . . . 650 VAL HA . 50218 1 63 . 1 . 1 6 6 VAL HB H 1 2.070 0.00 . . . . . . . 650 VAL HB . 50218 1 64 . 1 . 1 6 6 VAL HG11 H 1 0.911 0.00 . . . . . . . 650 VAL HG1# . 50218 1 65 . 1 . 1 6 6 VAL HG12 H 1 0.911 0.00 . . . . . . . 650 VAL HG1# . 50218 1 66 . 1 . 1 6 6 VAL HG13 H 1 0.911 0.00 . . . . . . . 650 VAL HG1# . 50218 1 67 . 1 . 1 6 6 VAL HG21 H 1 0.914 0.00 . . . . . . . 650 VAL HG2# . 50218 1 68 . 1 . 1 6 6 VAL HG22 H 1 0.914 0.00 . . . . . . . 650 VAL HG2# . 50218 1 69 . 1 . 1 6 6 VAL HG23 H 1 0.914 0.00 . . . . . . . 650 VAL HG2# . 50218 1 70 . 1 . 1 6 6 VAL C C 13 175.768 0.00 . . . . . . . 650 VAL CO . 50218 1 71 . 1 . 1 6 6 VAL CA C 13 62.072 0.07 . . . . . . . 650 VAL CA . 50218 1 72 . 1 . 1 6 6 VAL CB C 13 32.861 0.10 . . . . . . . 650 VAL CB . 50218 1 73 . 1 . 1 6 6 VAL CG1 C 13 21.014 0.18 . . . . . . . 650 VAL CG1 . 50218 1 74 . 1 . 1 6 6 VAL CG2 C 13 20.327 0.10 . . . . . . . 650 VAL CG2 . 50218 1 75 . 1 . 1 6 6 VAL N N 15 122.064 0.02 . . . . . . . 650 VAL N . 50218 1 76 . 1 . 1 7 7 SER H H 1 8.301 0.00 . . . . . . . 651 SER HN . 50218 1 77 . 1 . 1 7 7 SER HA H 1 4.470 0.02 . . . . . . . 651 SER HA . 50218 1 78 . 1 . 1 7 7 SER HB2 H 1 4.492 0.00 . . . . . . . 651 SER HB# . 50218 1 79 . 1 . 1 7 7 SER HB3 H 1 4.492 0.00 . . . . . . . 651 SER HB# . 50218 1 80 . 1 . 1 7 7 SER CA C 13 58.135 0.08 . . . . . . . 651 SER CA . 50218 1 81 . 1 . 1 7 7 SER CB C 13 63.881 0.04 . . . . . . . 651 SER CB . 50218 1 82 . 1 . 1 7 7 SER N N 15 119.848 0.00 . . . . . . . 651 SER N . 50218 1 83 . 1 . 1 8 8 ARG H H 1 8.211 0.00 . . . . . . . 652 ARG HN . 50218 1 84 . 1 . 1 8 8 ARG HA H 1 4.670 0.00 . . . . . . . 652 ARG HA . 50218 1 85 . 1 . 1 8 8 ARG C C 13 173.860 0.00 . . . . . . . 652 ARG CO . 50218 1 86 . 1 . 1 8 8 ARG CA C 13 53.941 0.02 . . . . . . . 652 ARG CA . 50218 1 87 . 1 . 1 8 8 ARG CB C 13 30.483 0.00 . . . . . . . 652 ARG CB . 50218 1 88 . 1 . 1 8 8 ARG N N 15 123.940 0.02 . . . . . . . 652 ARG N . 50218 1 89 . 1 . 1 9 9 PRO HA H 1 4.476 0.02 . . . . . . . 653 PRO HA . 50218 1 90 . 1 . 1 9 9 PRO HB2 H 1 2.272 0.00 . . . . . . . 653 PRO HB2 . 50218 1 91 . 1 . 1 9 9 PRO HB3 H 1 1.878 0.00 . . . . . . . 653 PRO HB3 . 50218 1 92 . 1 . 1 9 9 PRO HG2 H 1 1.976 0.00 . . . . . . . 653 PRO HG# . 50218 1 93 . 1 . 1 9 9 PRO HG3 H 1 1.976 0.00 . . . . . . . 653 PRO HG# . 50218 1 94 . 1 . 1 9 9 PRO HD2 H 1 3.766 0.00 . . . . . . . 653 PRO HD2 . 50218 1 95 . 1 . 1 9 9 PRO HD3 H 1 3.583 0.00 . . . . . . . 653 PRO HD3 . 50218 1 96 . 1 . 1 9 9 PRO C C 13 176.777 0.00 . . . . . . . 653 PRO CO . 50218 1 97 . 1 . 1 9 9 PRO CA C 13 63.085 0.09 . . . . . . . 653 PRO CA . 50218 1 98 . 1 . 1 9 9 PRO CB C 13 31.897 0.12 . . . . . . . 653 PRO CB . 50218 1 99 . 1 . 1 9 9 PRO CG C 13 27.286 0.12 . . . . . . . 653 PRO CG . 50218 1 100 . 1 . 1 9 9 PRO CD C 13 50.449 0.00 . . . . . . . 653 PRO CD . 50218 1 101 . 1 . 1 10 10 VAL H H 1 8.174 0.00 . . . . . . . 654 VAL HN . 50218 1 102 . 1 . 1 10 10 VAL HA H 1 4.116 0.02 . . . . . . . 654 VAL HA . 50218 1 103 . 1 . 1 10 10 VAL HB H 1 2.032 0.00 . . . . . . . 654 VAL HB . 50218 1 104 . 1 . 1 10 10 VAL HG11 H 1 0.912 0.00 . . . . . . . 654 VAL HG1# . 50218 1 105 . 1 . 1 10 10 VAL HG12 H 1 0.912 0.00 . . . . . . . 654 VAL HG1# . 50218 1 106 . 1 . 1 10 10 VAL HG13 H 1 0.912 0.00 . . . . . . . 654 VAL HG1# . 50218 1 107 . 1 . 1 10 10 VAL HG21 H 1 0.914 0.00 . . . . . . . 654 VAL HG2# . 50218 1 108 . 1 . 1 10 10 VAL HG22 H 1 0.914 0.00 . . . . . . . 654 VAL HG2# . 50218 1 109 . 1 . 1 10 10 VAL HG23 H 1 0.914 0.00 . . . . . . . 654 VAL HG2# . 50218 1 110 . 1 . 1 10 10 VAL C C 13 176.109 0.02 . . . . . . . 654 VAL CO . 50218 1 111 . 1 . 1 10 10 VAL CA C 13 62.355 0.07 . . . . . . . 654 VAL CA . 50218 1 112 . 1 . 1 10 10 VAL CB C 13 32.762 0.08 . . . . . . . 654 VAL CB . 50218 1 113 . 1 . 1 10 10 VAL CG1 C 13 21.097 0.12 . . . . . . . 654 VAL CG1 . 50218 1 114 . 1 . 1 10 10 VAL CG2 C 13 20.389 0.16 . . . . . . . 654 VAL CG2 . 50218 1 115 . 1 . 1 10 10 VAL N N 15 120.195 0.01 . . . . . . . 654 VAL N . 50218 1 116 . 1 . 1 11 11 SER H H 1 8.230 0.00 . . . . . . . 655 SER HN . 50218 1 117 . 1 . 1 11 11 SER HA H 1 4.431 0.00 . . . . . . . 655 SER HA . 50218 1 118 . 1 . 1 11 11 SER HB2 H 1 4.462 0.00 . . . . . . . 655 SER HB# . 50218 1 119 . 1 . 1 11 11 SER HB3 H 1 4.462 0.00 . . . . . . . 655 SER HB# . 50218 1 120 . 1 . 1 11 11 SER C C 13 173.801 0.00 . . . . . . . 655 SER CO . 50218 1 121 . 1 . 1 11 11 SER CA C 13 58.085 0.09 . . . . . . . 655 SER CA . 50218 1 122 . 1 . 1 11 11 SER CB C 13 63.883 0.00 . . . . . . . 655 SER CB . 50218 1 123 . 1 . 1 11 11 SER N N 15 118.665 0.02 . . . . . . . 655 SER N . 50218 1 124 . 1 . 1 13 13 GLN HA H 1 4.291 0.00 . . . . . . . 657 GLN HA . 50218 1 125 . 1 . 1 13 13 GLN HB2 H 1 2.051 0.00 . . . . . . . 657 GLN HB2 . 50218 1 126 . 1 . 1 13 13 GLN HB3 H 1 1.934 0.00 . . . . . . . 657 GLN HB3 . 50218 1 127 . 1 . 1 13 13 GLN HG2 H 1 2.288 0.00 . . . . . . . 657 GLN HG# . 50218 1 128 . 1 . 1 13 13 GLN HG3 H 1 2.288 0.00 . . . . . . . 657 GLN HG# . 50218 1 129 . 1 . 1 13 13 GLN C C 13 175.647 0.00 . . . . . . . 657 GLN CO . 50218 1 130 . 1 . 1 13 13 GLN CA C 13 55.883 0.00 . . . . . . . 657 GLN CA . 50218 1 131 . 1 . 1 13 13 GLN CB C 13 29.273 0.01 . . . . . . . 657 GLN CB . 50218 1 132 . 1 . 1 13 13 GLN CG C 13 33.572 0.00 . . . . . . . 657 GLN CG . 50218 1 133 . 1 . 1 14 14 ARG H H 1 8.383 0.00 . . . . . . . 658 ARG HN . 50218 1 134 . 1 . 1 14 14 ARG HA H 1 4.313 0.00 . . . . . . . 658 ARG HA . 50218 1 135 . 1 . 1 14 14 ARG HB2 H 1 1.853 0.02 . . . . . . . 658 ARG HB2 . 50218 1 136 . 1 . 1 14 14 ARG HB3 H 1 1.772 0.02 . . . . . . . 658 ARG HB3 . 50218 1 137 . 1 . 1 14 14 ARG HG2 H 1 1.619 0.02 . . . . . . . 658 ARG HG# . 50218 1 138 . 1 . 1 14 14 ARG HG3 H 1 1.619 0.02 . . . . . . . 658 ARG HG# . 50218 1 139 . 1 . 1 14 14 ARG HD2 H 1 3.181 0.00 . . . . . . . 658 ARG HD# . 50218 1 140 . 1 . 1 14 14 ARG HD3 H 1 3.181 0.00 . . . . . . . 658 ARG HD# . 50218 1 141 . 1 . 1 14 14 ARG C C 13 176.146 0.05 . . . . . . . 658 ARG CO . 50218 1 142 . 1 . 1 14 14 ARG CA C 13 56.155 0.10 . . . . . . . 658 ARG CA . 50218 1 143 . 1 . 1 14 14 ARG CB C 13 30.673 0.12 . . . . . . . 658 ARG CB . 50218 1 144 . 1 . 1 14 14 ARG CG C 13 27.042 0.14 . . . . . . . 658 ARG CG . 50218 1 145 . 1 . 1 14 14 ARG CD C 13 43.237 0.00 . . . . . . . 658 ARG CD . 50218 1 146 . 1 . 1 14 14 ARG N N 15 122.367 0.01 . . . . . . . 658 ARG N . 50218 1 147 . 1 . 1 15 15 MET H H 1 8.351 0.00 . . . . . . . 659 MET HN . 50218 1 148 . 1 . 1 15 15 MET HA H 1 4.485 0.00 . . . . . . . 659 MET HA . 50218 1 149 . 1 . 1 15 15 MET HB2 H 1 2.070 0.00 . . . . . . . 659 MET HB# . 50218 1 150 . 1 . 1 15 15 MET HB3 H 1 2.070 0.00 . . . . . . . 659 MET HB# . 50218 1 151 . 1 . 1 15 15 MET HG2 H 1 2.599 0.00 . . . . . . . 659 MET HG# . 50218 1 152 . 1 . 1 15 15 MET HG3 H 1 2.599 0.00 . . . . . . . 659 MET HG# . 50218 1 153 . 1 . 1 15 15 MET C C 13 176.452 0.02 . . . . . . . 659 MET CO . 50218 1 154 . 1 . 1 15 15 MET CA C 13 55.440 0.00 . . . . . . . 659 MET CA . 50218 1 155 . 1 . 1 15 15 MET CB C 13 32.761 0.00 . . . . . . . 659 MET CB . 50218 1 156 . 1 . 1 15 15 MET CG C 13 31.869 0.00 . . . . . . . 659 MET CG . 50218 1 157 . 1 . 1 15 15 MET N N 15 121.712 0.01 . . . . . . . 659 MET N . 50218 1 158 . 1 . 1 16 16 GLY H H 1 8.372 0.00 . . . . . . . 660 GLY HN . 50218 1 159 . 1 . 1 16 16 GLY HA2 H 1 3.995 0.02 . . . . . . . 660 GLY HA# . 50218 1 160 . 1 . 1 16 16 GLY HA3 H 1 3.995 0.02 . . . . . . . 660 GLY HA# . 50218 1 161 . 1 . 1 16 16 GLY C C 13 173.711 0.00 . . . . . . . 660 GLY CO . 50218 1 162 . 1 . 1 16 16 GLY CA C 13 45.226 0.12 . . . . . . . 660 GLY CA . 50218 1 163 . 1 . 1 16 16 GLY N N 15 110.062 0.04 . . . . . . . 660 GLY N . 50218 1 164 . 1 . 1 17 17 THR H H 1 7.963 0.00 . . . . . . . 661 THR HN . 50218 1 165 . 1 . 1 17 17 THR HA H 1 4.540 0.18 . . . . . . . 661 THR HA . 50218 1 166 . 1 . 1 17 17 THR HB H 1 4.172 0.02 . . . . . . . 661 THR HB . 50218 1 167 . 1 . 1 17 17 THR HG21 H 1 1.252 0.02 . . . . . . . 661 THR HG2# . 50218 1 168 . 1 . 1 17 17 THR HG22 H 1 1.252 0.02 . . . . . . . 661 THR HG2# . 50218 1 169 . 1 . 1 17 17 THR HG23 H 1 1.252 0.02 . . . . . . . 661 THR HG2# . 50218 1 170 . 1 . 1 17 17 THR C C 13 172.710 0.00 . . . . . . . 661 THR CO . 50218 1 171 . 1 . 1 17 17 THR CA C 13 59.776 0.07 . . . . . . . 661 THR CA . 50218 1 172 . 1 . 1 17 17 THR CB C 13 69.846 0.08 . . . . . . . 661 THR CB . 50218 1 173 . 1 . 1 17 17 THR CG2 C 13 21.428 0.13 . . . . . . . 661 THR CG2 . 50218 1 174 . 1 . 1 17 17 THR N N 15 116.091 0.00 . . . . . . . 661 THR N . 50218 1 175 . 1 . 1 18 18 PRO HA H 1 4.449 0.02 . . . . . . . 662 PRO HA . 50218 1 176 . 1 . 1 18 18 PRO HB2 H 1 2.267 0.00 . . . . . . . 662 PRO HB2 . 50218 1 177 . 1 . 1 18 18 PRO HB3 H 1 1.872 0.00 . . . . . . . 662 PRO HB3 . 50218 1 178 . 1 . 1 18 18 PRO HG2 H 1 2.008 0.02 . . . . . . . 662 PRO HG# . 50218 1 179 . 1 . 1 18 18 PRO HG3 H 1 2.008 0.02 . . . . . . . 662 PRO HG# . 50218 1 180 . 1 . 1 18 18 PRO HD2 H 1 3.834 0.00 . . . . . . . 662 PRO HD2 . 50218 1 181 . 1 . 1 18 18 PRO HD3 H 1 3.697 0.00 . . . . . . . 662 PRO HD3 . 50218 1 182 . 1 . 1 18 18 PRO C C 13 176.541 0.00 . . . . . . . 662 PRO CO . 50218 1 183 . 1 . 1 18 18 PRO CA C 13 63.280 0.08 . . . . . . . 662 PRO CA . 50218 1 184 . 1 . 1 18 18 PRO CB C 13 32.000 0.13 . . . . . . . 662 PRO CB . 50218 1 185 . 1 . 1 18 18 PRO CG C 13 27.378 0.09 . . . . . . . 662 PRO CG . 50218 1 186 . 1 . 1 18 18 PRO CD C 13 50.920 0.15 . . . . . . . 662 PRO CD . 50218 1 187 . 1 . 1 19 19 MET H H 1 8.350 0.00 . . . . . . . 663 MET HN . 50218 1 188 . 1 . 1 19 19 MET HA H 1 4.453 0.00 . . . . . . . 663 MET HA . 50218 1 189 . 1 . 1 19 19 MET HB2 H 1 2.026 0.00 . . . . . . . 663 MET HB# . 50218 1 190 . 1 . 1 19 19 MET HB3 H 1 2.026 0.00 . . . . . . . 663 MET HB# . 50218 1 191 . 1 . 1 19 19 MET HG2 H 1 2.531 0.00 . . . . . . . 663 MET HG# . 50218 1 192 . 1 . 1 19 19 MET HG3 H 1 2.531 0.00 . . . . . . . 663 MET HG# . 50218 1 193 . 1 . 1 19 19 MET C C 13 175.864 0.01 . . . . . . . 663 MET CO . 50218 1 194 . 1 . 1 19 19 MET CA C 13 55.463 0.00 . . . . . . . 663 MET CA . 50218 1 195 . 1 . 1 19 19 MET CB C 13 32.924 0.00 . . . . . . . 663 MET CB . 50218 1 196 . 1 . 1 19 19 MET CG C 13 31.872 0.00 . . . . . . . 663 MET CG . 50218 1 197 . 1 . 1 19 19 MET N N 15 121.036 0.01 . . . . . . . 663 MET N . 50218 1 198 . 1 . 1 20 20 VAL H H 1 8.045 0.00 . . . . . . . 664 VAL HN . 50218 1 199 . 1 . 1 20 20 VAL HA H 1 4.172 0.02 . . . . . . . 664 VAL HA . 50218 1 200 . 1 . 1 20 20 VAL HB H 1 2.070 0.00 . . . . . . . 664 VAL HB . 50218 1 201 . 1 . 1 20 20 VAL HG11 H 1 0.915 0.02 . . . . . . . 664 VAL HG1# . 50218 1 202 . 1 . 1 20 20 VAL HG12 H 1 0.915 0.02 . . . . . . . 664 VAL HG1# . 50218 1 203 . 1 . 1 20 20 VAL HG13 H 1 0.915 0.02 . . . . . . . 664 VAL HG1# . 50218 1 204 . 1 . 1 20 20 VAL HG21 H 1 0.943 0.02 . . . . . . . 664 VAL HG2# . 50218 1 205 . 1 . 1 20 20 VAL HG22 H 1 0.943 0.02 . . . . . . . 664 VAL HG2# . 50218 1 206 . 1 . 1 20 20 VAL HG23 H 1 0.943 0.02 . . . . . . . 664 VAL HG2# . 50218 1 207 . 1 . 1 20 20 VAL C C 13 175.681 0.00 . . . . . . . 664 VAL CO . 50218 1 208 . 1 . 1 20 20 VAL CA C 13 62.198 0.11 . . . . . . . 664 VAL CA . 50218 1 209 . 1 . 1 20 20 VAL CB C 13 32.865 0.09 . . . . . . . 664 VAL CB . 50218 1 210 . 1 . 1 20 20 VAL CG1 C 13 21.155 0.10 . . . . . . . 664 VAL CG1 . 50218 1 211 . 1 . 1 20 20 VAL CG2 C 13 20.529 0.18 . . . . . . . 664 VAL CG2 . 50218 1 212 . 1 . 1 20 20 VAL N N 15 121.087 0.00 . . . . . . . 664 VAL N . 50218 1 213 . 1 . 1 21 21 GLU H H 1 8.399 0.00 . . . . . . . 665 GLU HN . 50218 1 214 . 1 . 1 21 21 GLU HA H 1 4.328 0.00 . . . . . . . 665 GLU HA . 50218 1 215 . 1 . 1 21 21 GLU HB2 H 1 2.020 0.00 . . . . . . . 665 GLU HB2 . 50218 1 216 . 1 . 1 21 21 GLU HB3 H 1 1.905 0.00 . . . . . . . 665 GLU HB3 . 50218 1 217 . 1 . 1 21 21 GLU HG2 H 1 2.226 0.00 . . . . . . . 665 GLU HG# . 50218 1 218 . 1 . 1 21 21 GLU HG3 H 1 2.226 0.00 . . . . . . . 665 GLU HG# . 50218 1 219 . 1 . 1 21 21 GLU C C 13 175.891 0.00 . . . . . . . 665 GLU CO . 50218 1 220 . 1 . 1 21 21 GLU CA C 13 56.295 0.00 . . . . . . . 665 GLU CA . 50218 1 221 . 1 . 1 21 21 GLU CB C 13 30.387 0.01 . . . . . . . 665 GLU CB . 50218 1 222 . 1 . 1 21 21 GLU CG C 13 36.068 0.00 . . . . . . . 665 GLU CG . 50218 1 223 . 1 . 1 21 21 GLU N N 15 124.253 0.00 . . . . . . . 665 GLU N . 50218 1 224 . 1 . 1 22 22 ASN H H 1 8.392 0.00 . . . . . . . 666 ASN HN . 50218 1 225 . 1 . 1 22 22 ASN HA H 1 4.719 0.00 . . . . . . . 666 ASN HA . 50218 1 226 . 1 . 1 22 22 ASN HB2 H 1 2.821 0.00 . . . . . . . 666 ASN HB# . 50218 1 227 . 1 . 1 22 22 ASN HB3 H 1 2.821 0.00 . . . . . . . 666 ASN HB# . 50218 1 228 . 1 . 1 22 22 ASN C C 13 174.851 0.00 . . . . . . . 666 ASN CO . 50218 1 229 . 1 . 1 22 22 ASN CA C 13 53.104 0.00 . . . . . . . 666 ASN CA . 50218 1 230 . 1 . 1 22 22 ASN CB C 13 39.170 0.00 . . . . . . . 666 ASN CB . 50218 1 231 . 1 . 1 22 22 ASN N N 15 119.853 0.01 . . . . . . . 666 ASN N . 50218 1 232 . 1 . 1 23 23 ASP H H 1 8.355 0.00 . . . . . . . 667 ASP HN . 50218 1 233 . 1 . 1 23 23 ASP HA H 1 4.593 0.00 . . . . . . . 667 ASP HA . 50218 1 234 . 1 . 1 23 23 ASP HB2 H 1 2.678 0.00 . . . . . . . 667 ASP HB# . 50218 1 235 . 1 . 1 23 23 ASP HB3 H 1 2.678 0.00 . . . . . . . 667 ASP HB# . 50218 1 236 . 1 . 1 23 23 ASP C C 13 176.300 0.04 . . . . . . . 667 ASP CO . 50218 1 237 . 1 . 1 23 23 ASP CA C 13 54.343 0.00 . . . . . . . 667 ASP CA . 50218 1 238 . 1 . 1 23 23 ASP CB C 13 41.049 0.00 . . . . . . . 667 ASP CB . 50218 1 239 . 1 . 1 23 23 ASP N N 15 121.187 0.13 . . . . . . . 667 ASP N . 50218 1 240 . 1 . 1 24 24 SER H H 1 8.201 0.00 . . . . . . . 668 SER HN . 50218 1 241 . 1 . 1 24 24 SER HA H 1 4.334 0.00 . . . . . . . 668 SER HA . 50218 1 242 . 1 . 1 24 24 SER HB2 H 1 3.857 0.00 . . . . . . . 668 SER HB# . 50218 1 243 . 1 . 1 24 24 SER HB3 H 1 3.857 0.00 . . . . . . . 668 SER HB# . 50218 1 244 . 1 . 1 24 24 SER C C 13 174.735 0.00 . . . . . . . 668 SER CO . 50218 1 245 . 1 . 1 24 24 SER CA C 13 58.745 0.00 . . . . . . . 668 SER CA . 50218 1 246 . 1 . 1 24 24 SER CB C 13 63.945 0.00 . . . . . . . 668 SER CB . 50218 1 247 . 1 . 1 24 24 SER N N 15 115.903 0.02 . . . . . . . 668 SER N . 50218 1 248 . 1 . 1 25 25 GLY H H 1 8.130 0.00 . . . . . . . 669 GLY HN . 50218 1 249 . 1 . 1 25 25 GLY HA2 H 1 3.862 0.00 . . . . . . . 669 GLY HA2 . 50218 1 250 . 1 . 1 25 25 GLY HA3 H 1 3.694 0.03 . . . . . . . 669 GLY HA3 . 50218 1 251 . 1 . 1 25 25 GLY C C 13 173.369 0.00 . . . . . . . 669 GLY CO . 50218 1 252 . 1 . 1 25 25 GLY CA C 13 44.967 0.10 . . . . . . . 669 GLY CA . 50218 1 253 . 1 . 1 25 25 GLY N N 15 109.949 0.01 . . . . . . . 669 GLY N . 50218 1 254 . 1 . 1 26 26 TYR H H 1 7.735 0.02 . . . . . . . 670 TYR HN . 50218 1 255 . 1 . 1 26 26 TYR HA H 1 4.947 0.00 . . . . . . . 670 TYR HA . 50218 1 256 . 1 . 1 26 26 TYR HB2 H 1 2.849 0.00 . . . . . . . 670 TYR HB2 . 50218 1 257 . 1 . 1 26 26 TYR HB3 H 1 2.528 0.00 . . . . . . . 670 TYR HB3 . 50218 1 258 . 1 . 1 26 26 TYR HD1 H 1 6.999 0.00 . . . . . . . 670 TYR HD# . 50218 1 259 . 1 . 1 26 26 TYR HD2 H 1 6.999 0.00 . . . . . . . 670 TYR HD# . 50218 1 260 . 1 . 1 26 26 TYR HE1 H 1 6.664 0.00 . . . . . . . 670 TYR HE# . 50218 1 261 . 1 . 1 26 26 TYR HE2 H 1 6.664 0.00 . . . . . . . 670 TYR HE# . 50218 1 262 . 1 . 1 26 26 TYR C C 13 175.006 0.00 . . . . . . . 670 TYR CO . 50218 1 263 . 1 . 1 26 26 TYR CA C 13 57.568 0.00 . . . . . . . 670 TYR CA . 50218 1 264 . 1 . 1 26 26 TYR CB C 13 40.280 0.01 . . . . . . . 670 TYR CB . 50218 1 265 . 1 . 1 26 26 TYR CD1 C 13 133.184 0.00 . . . . . . . 670 TYR CD# . 50218 1 266 . 1 . 1 26 26 TYR CD2 C 13 133.184 0.00 . . . . . . . 670 TYR CD# . 50218 1 267 . 1 . 1 26 26 TYR CE1 C 13 117.869 0.00 . . . . . . . 670 TYR CE# . 50218 1 268 . 1 . 1 26 26 TYR CE2 C 13 117.869 0.00 . . . . . . . 670 TYR CE# . 50218 1 269 . 1 . 1 26 26 TYR N N 15 119.199 0.05 . . . . . . . 670 TYR N . 50218 1 270 . 1 . 1 27 27 LYS H H 1 8.065 0.01 . . . . . . . 671 LYS HN . 50218 1 271 . 1 . 1 27 27 LYS HA H 1 4.644 0.01 . . . . . . . 671 LYS HA . 50218 1 272 . 1 . 1 27 27 LYS HB2 H 1 1.804 0.00 . . . . . . . 671 LYS HB2 . 50218 1 273 . 1 . 1 27 27 LYS HB3 H 1 1.575 0.00 . . . . . . . 671 LYS HB3 . 50218 1 274 . 1 . 1 27 27 LYS HG2 H 1 1.396 0.01 . . . . . . . 671 LYS HG# . 50218 1 275 . 1 . 1 27 27 LYS HG3 H 1 1.396 0.01 . . . . . . . 671 LYS HG# . 50218 1 276 . 1 . 1 27 27 LYS HD2 H 1 1.646 0.00 . . . . . . . 671 LYS HD2 . 50218 1 277 . 1 . 1 27 27 LYS HD3 H 1 1.604 0.00 . . . . . . . 671 LYS HD3 . 50218 1 278 . 1 . 1 27 27 LYS HE2 H 1 2.935 0.00 . . . . . . . 671 LYS HE# . 50218 1 279 . 1 . 1 27 27 LYS HE3 H 1 2.935 0.00 . . . . . . . 671 LYS HE# . 50218 1 280 . 1 . 1 27 27 LYS C C 13 175.504 0.00 . . . . . . . 671 LYS CO . 50218 1 281 . 1 . 1 27 27 LYS CA C 13 53.974 0.21 . . . . . . . 671 LYS CA . 50218 1 282 . 1 . 1 27 27 LYS CB C 13 35.977 0.12 . . . . . . . 671 LYS CB . 50218 1 283 . 1 . 1 27 27 LYS CG C 13 24.432 0.09 . . . . . . . 671 LYS CG . 50218 1 284 . 1 . 1 27 27 LYS CD C 13 28.986 0.12 . . . . . . . 671 LYS CD . 50218 1 285 . 1 . 1 27 27 LYS CE C 13 42.155 0.13 . . . . . . . 671 LYS CE . 50218 1 286 . 1 . 1 27 27 LYS N N 15 118.292 0.08 . . . . . . . 671 LYS N . 50218 1 287 . 1 . 1 28 28 LEU H H 1 8.349 0.00 . . . . . . . 672 LEU HN . 50218 1 288 . 1 . 1 28 28 LEU HA H 1 3.691 0.00 . . . . . . . 672 LEU HA . 50218 1 289 . 1 . 1 28 28 LEU HB2 H 1 1.625 0.00 . . . . . . . 672 LEU HB2 . 50218 1 290 . 1 . 1 28 28 LEU HB3 H 1 1.453 0.00 . . . . . . . 672 LEU HB3 . 50218 1 291 . 1 . 1 28 28 LEU HG H 1 1.457 0.00 . . . . . . . 672 LEU HG . 50218 1 292 . 1 . 1 28 28 LEU HD11 H 1 0.940 0.01 . . . . . . . 672 LEU HD1# . 50218 1 293 . 1 . 1 28 28 LEU HD12 H 1 0.940 0.01 . . . . . . . 672 LEU HD1# . 50218 1 294 . 1 . 1 28 28 LEU HD13 H 1 0.940 0.01 . . . . . . . 672 LEU HD1# . 50218 1 295 . 1 . 1 28 28 LEU HD21 H 1 0.806 0.02 . . . . . . . 672 LEU HD2# . 50218 1 296 . 1 . 1 28 28 LEU HD22 H 1 0.806 0.02 . . . . . . . 672 LEU HD2# . 50218 1 297 . 1 . 1 28 28 LEU HD23 H 1 0.806 0.02 . . . . . . . 672 LEU HD2# . 50218 1 298 . 1 . 1 28 28 LEU C C 13 178.461 0.00 . . . . . . . 672 LEU CO . 50218 1 299 . 1 . 1 28 28 LEU CA C 13 56.722 0.10 . . . . . . . 672 LEU CA . 50218 1 300 . 1 . 1 28 28 LEU CB C 13 41.237 0.14 . . . . . . . 672 LEU CB . 50218 1 301 . 1 . 1 28 28 LEU CG C 13 27.058 0.16 . . . . . . . 672 LEU CG . 50218 1 302 . 1 . 1 28 28 LEU CD1 C 13 24.815 0.08 . . . . . . . 672 LEU CD1 . 50218 1 303 . 1 . 1 28 28 LEU CD2 C 13 23.707 0.11 . . . . . . . 672 LEU CD2 . 50218 1 304 . 1 . 1 28 28 LEU N N 15 120.573 0.03 . . . . . . . 672 LEU N . 50218 1 305 . 1 . 1 29 29 GLY H H 1 8.858 0.01 . . . . . . . 673 GLY HN . 50218 1 306 . 1 . 1 29 29 GLY HA2 H 1 4.225 0.00 . . . . . . . 673 GLY HA2 . 50218 1 307 . 1 . 1 29 29 GLY HA3 H 1 3.483 0.02 . . . . . . . 673 GLY HA3 . 50218 1 308 . 1 . 1 29 29 GLY C C 13 173.571 0.00 . . . . . . . 673 GLY CO . 50218 1 309 . 1 . 1 29 29 GLY CA C 13 44.966 0.12 . . . . . . . 673 GLY CA . 50218 1 310 . 1 . 1 29 29 GLY N N 15 112.160 0.02 . . . . . . . 673 GLY N . 50218 1 311 . 1 . 1 30 30 GLN H H 1 7.660 0.01 . . . . . . . 674 GLN HN . 50218 1 312 . 1 . 1 30 30 GLN HA H 1 4.182 0.00 . . . . . . . 674 GLN HA . 50218 1 313 . 1 . 1 30 30 GLN HB2 H 1 2.285 0.00 . . . . . . . 674 GLN HB2 . 50218 1 314 . 1 . 1 30 30 GLN HB3 H 1 2.167 0.00 . . . . . . . 674 GLN HB3 . 50218 1 315 . 1 . 1 30 30 GLN HG2 H 1 2.478 0.00 . . . . . . . 674 GLN HG# . 50218 1 316 . 1 . 1 30 30 GLN HG3 H 1 2.478 0.00 . . . . . . . 674 GLN HG# . 50218 1 317 . 1 . 1 30 30 GLN C C 13 175.056 0.00 . . . . . . . 674 GLN CO . 50218 1 318 . 1 . 1 30 30 GLN CA C 13 56.342 0.00 . . . . . . . 674 GLN CA . 50218 1 319 . 1 . 1 30 30 GLN CB C 13 30.414 0.01 . . . . . . . 674 GLN CB . 50218 1 320 . 1 . 1 30 30 GLN CG C 13 33.427 0.00 . . . . . . . 674 GLN CG . 50218 1 321 . 1 . 1 30 30 GLN N N 15 121.459 0.01 . . . . . . . 674 GLN N . 50218 1 322 . 1 . 1 31 31 ARG H H 1 8.614 0.00 . . . . . . . 675 ARG HN . 50218 1 323 . 1 . 1 31 31 ARG HA H 1 5.126 0.03 . . . . . . . 675 ARG HA . 50218 1 324 . 1 . 1 31 31 ARG HB2 H 1 1.850 0.02 . . . . . . . 675 ARG HB2 . 50218 1 325 . 1 . 1 31 31 ARG HB3 H 1 1.771 0.02 . . . . . . . 675 ARG HB3 . 50218 1 326 . 1 . 1 31 31 ARG HD2 H 1 3.228 0.00 . . . . . . . 675 ARG HD# . 50218 1 327 . 1 . 1 31 31 ARG HD3 H 1 3.228 0.00 . . . . . . . 675 ARG HD# . 50218 1 328 . 1 . 1 31 31 ARG C C 13 176.313 0.00 . . . . . . . 675 ARG CO . 50218 1 329 . 1 . 1 31 31 ARG CA C 13 55.200 0.02 . . . . . . . 675 ARG CA . 50218 1 330 . 1 . 1 31 31 ARG CB C 13 30.672 0.12 . . . . . . . 675 ARG CB . 50218 1 331 . 1 . 1 31 31 ARG CD C 13 43.369 0.12 . . . . . . . 675 ARG CD . 50218 1 332 . 1 . 1 31 31 ARG N N 15 125.575 0.01 . . . . . . . 675 ARG N . 50218 1 333 . 1 . 1 32 32 VAL H H 1 8.855 0.00 . . . . . . . 676 VAL HN . 50218 1 334 . 1 . 1 32 32 VAL HA H 1 5.361 0.02 . . . . . . . 676 VAL HA . 50218 1 335 . 1 . 1 32 32 VAL HB H 1 2.080 0.00 . . . . . . . 676 VAL HB . 50218 1 336 . 1 . 1 32 32 VAL HG11 H 1 0.840 0.01 . . . . . . . 676 VAL HG1# . 50218 1 337 . 1 . 1 32 32 VAL HG12 H 1 0.840 0.01 . . . . . . . 676 VAL HG1# . 50218 1 338 . 1 . 1 32 32 VAL HG13 H 1 0.840 0.01 . . . . . . . 676 VAL HG1# . 50218 1 339 . 1 . 1 32 32 VAL HG21 H 1 0.510 0.02 . . . . . . . 676 VAL HG2# . 50218 1 340 . 1 . 1 32 32 VAL HG22 H 1 0.510 0.02 . . . . . . . 676 VAL HG2# . 50218 1 341 . 1 . 1 32 32 VAL HG23 H 1 0.510 0.02 . . . . . . . 676 VAL HG2# . 50218 1 342 . 1 . 1 32 32 VAL C C 13 173.909 0.00 . . . . . . . 676 VAL CO . 50218 1 343 . 1 . 1 32 32 VAL CA C 13 58.606 0.11 . . . . . . . 676 VAL CA . 50218 1 344 . 1 . 1 32 32 VAL CB C 13 36.961 0.09 . . . . . . . 676 VAL CB . 50218 1 345 . 1 . 1 32 32 VAL CG1 C 13 22.208 0.09 . . . . . . . 676 VAL CG1 . 50218 1 346 . 1 . 1 32 32 VAL CG2 C 13 18.203 0.07 . . . . . . . 676 VAL CG2 . 50218 1 347 . 1 . 1 32 32 VAL N N 15 116.684 0.01 . . . . . . . 676 VAL N . 50218 1 348 . 1 . 1 33 33 ARG H H 1 9.103 0.01 . . . . . . . 677 ARG HN . 50218 1 349 . 1 . 1 33 33 ARG HA H 1 5.158 0.02 . . . . . . . 677 ARG HA . 50218 1 350 . 1 . 1 33 33 ARG HB2 H 1 1.693 0.00 . . . . . . . 677 ARG HB2 . 50218 1 351 . 1 . 1 33 33 ARG HB3 H 1 1.588 0.00 . . . . . . . 677 ARG HB3 . 50218 1 352 . 1 . 1 33 33 ARG HG2 H 1 1.398 0.00 . . . . . . . 677 ARG HG# . 50218 1 353 . 1 . 1 33 33 ARG HG3 H 1 1.398 0.00 . . . . . . . 677 ARG HG# . 50218 1 354 . 1 . 1 33 33 ARG HD2 H 1 3.181 0.00 . . . . . . . 677 ARG HD# . 50218 1 355 . 1 . 1 33 33 ARG HD3 H 1 3.181 0.00 . . . . . . . 677 ARG HD# . 50218 1 356 . 1 . 1 33 33 ARG C C 13 173.981 0.01 . . . . . . . 677 ARG CO . 50218 1 357 . 1 . 1 33 33 ARG CA C 13 55.068 0.08 . . . . . . . 677 ARG CA . 50218 1 358 . 1 . 1 33 33 ARG CB C 13 33.673 0.00 . . . . . . . 677 ARG CB . 50218 1 359 . 1 . 1 33 33 ARG CG C 13 27.911 0.00 . . . . . . . 677 ARG CG . 50218 1 360 . 1 . 1 33 33 ARG CD C 13 43.237 0.00 . . . . . . . 677 ARG CD . 50218 1 361 . 1 . 1 33 33 ARG N N 15 119.314 0.02 . . . . . . . 677 ARG N . 50218 1 362 . 1 . 1 34 34 HIS H H 1 9.247 0.01 . . . . . . . 678 HIS HN . 50218 1 363 . 1 . 1 34 34 HIS HA H 1 4.876 0.01 . . . . . . . 678 HIS HA . 50218 1 364 . 1 . 1 34 34 HIS HB2 H 1 3.008 0.00 . . . . . . . 678 HIS HB# . 50218 1 365 . 1 . 1 34 34 HIS HB3 H 1 3.008 0.00 . . . . . . . 678 HIS HB# . 50218 1 366 . 1 . 1 34 34 HIS C C 13 176.042 0.01 . . . . . . . 678 HIS CO . 50218 1 367 . 1 . 1 34 34 HIS CA C 13 55.614 0.00 . . . . . . . 678 HIS CA . 50218 1 368 . 1 . 1 34 34 HIS CB C 13 36.521 0.00 . . . . . . . 678 HIS CB . 50218 1 369 . 1 . 1 34 34 HIS N N 15 127.618 0.01 . . . . . . . 678 HIS N . 50218 1 370 . 1 . 1 35 35 ALA H H 1 8.601 0.00 . . . . . . . 679 ALA HN . 50218 1 371 . 1 . 1 35 35 ALA HA H 1 3.918 0.01 . . . . . . . 679 ALA HA . 50218 1 372 . 1 . 1 35 35 ALA HB1 H 1 1.255 0.02 . . . . . . . 679 ALA HB# . 50218 1 373 . 1 . 1 35 35 ALA HB2 H 1 1.255 0.02 . . . . . . . 679 ALA HB# . 50218 1 374 . 1 . 1 35 35 ALA HB3 H 1 1.255 0.02 . . . . . . . 679 ALA HB# . 50218 1 375 . 1 . 1 35 35 ALA C C 13 177.619 0.00 . . . . . . . 679 ALA CO . 50218 1 376 . 1 . 1 35 35 ALA CA C 13 55.378 0.09 . . . . . . . 679 ALA CA . 50218 1 377 . 1 . 1 35 35 ALA CB C 13 18.978 0.11 . . . . . . . 679 ALA CB . 50218 1 378 . 1 . 1 35 35 ALA N N 15 130.564 0.02 . . . . . . . 679 ALA N . 50218 1 379 . 1 . 1 36 36 LYS H H 1 9.202 0.01 . . . . . . . 680 LYS HN . 50218 1 380 . 1 . 1 36 36 LYS HA H 1 4.378 0.00 . . . . . . . 680 LYS HA . 50218 1 381 . 1 . 1 36 36 LYS HB2 H 1 1.257 0.02 . . . . . . . 680 LYS HB2 . 50218 1 382 . 1 . 1 36 36 LYS HB3 H 1 1.216 0.02 . . . . . . . 680 LYS HB3 . 50218 1 383 . 1 . 1 36 36 LYS HG2 H 1 1.228 0.01 . . . . . . . 680 LYS HG2 . 50218 1 384 . 1 . 1 36 36 LYS HG3 H 1 0.989 0.02 . . . . . . . 680 LYS HG3 . 50218 1 385 . 1 . 1 36 36 LYS HD2 H 1 1.479 0.02 . . . . . . . 680 LYS HD2 . 50218 1 386 . 1 . 1 36 36 LYS HD3 H 1 1.429 0.02 . . . . . . . 680 LYS HD3 . 50218 1 387 . 1 . 1 36 36 LYS HE2 H 1 2.883 0.02 . . . . . . . 680 LYS HE# . 50218 1 388 . 1 . 1 36 36 LYS HE3 H 1 2.883 0.02 . . . . . . . 680 LYS HE# . 50218 1 389 . 1 . 1 36 36 LYS C C 13 178.364 0.00 . . . . . . . 680 LYS CO . 50218 1 390 . 1 . 1 36 36 LYS CA C 13 56.630 0.07 . . . . . . . 680 LYS CA . 50218 1 391 . 1 . 1 36 36 LYS CB C 13 34.225 0.12 . . . . . . . 680 LYS CB . 50218 1 392 . 1 . 1 36 36 LYS CG C 13 24.672 0.09 . . . . . . . 680 LYS CG . 50218 1 393 . 1 . 1 36 36 LYS CD C 13 28.668 0.11 . . . . . . . 680 LYS CD . 50218 1 394 . 1 . 1 36 36 LYS CE C 13 41.990 0.09 . . . . . . . 680 LYS CE . 50218 1 395 . 1 . 1 36 36 LYS N N 15 116.945 0.00 . . . . . . . 680 LYS N . 50218 1 396 . 1 . 1 37 37 PHE H H 1 8.349 0.00 . . . . . . . 681 PHE HN . 50218 1 397 . 1 . 1 37 37 PHE HA H 1 4.384 0.01 . . . . . . . 681 PHE HA . 50218 1 398 . 1 . 1 37 37 PHE HB2 H 1 1.801 0.00 . . . . . . . 681 PHE HB2 . 50218 1 399 . 1 . 1 37 37 PHE HB3 H 1 0.970 0.00 . . . . . . . 681 PHE HB3 . 50218 1 400 . 1 . 1 37 37 PHE HD1 H 1 7.167 0.00 . . . . . . . 681 PHE HD# . 50218 1 401 . 1 . 1 37 37 PHE HD2 H 1 7.167 0.00 . . . . . . . 681 PHE HD# . 50218 1 402 . 1 . 1 37 37 PHE HE1 H 1 7.021 0.00 . . . . . . . 681 PHE HE# . 50218 1 403 . 1 . 1 37 37 PHE HE2 H 1 7.021 0.00 . . . . . . . 681 PHE HE# . 50218 1 404 . 1 . 1 37 37 PHE HZ H 1 6.993 0.00 . . . . . . . 681 PHE HZ . 50218 1 405 . 1 . 1 37 37 PHE C C 13 174.939 0.00 . . . . . . . 681 PHE CO . 50218 1 406 . 1 . 1 37 37 PHE CA C 13 56.456 0.01 . . . . . . . 681 PHE CA . 50218 1 407 . 1 . 1 37 37 PHE CB C 13 36.629 0.01 . . . . . . . 681 PHE CB . 50218 1 408 . 1 . 1 37 37 PHE CD1 C 13 132.548 0.00 . . . . . . . 681 PHE CD# . 50218 1 409 . 1 . 1 37 37 PHE CD2 C 13 132.548 0.00 . . . . . . . 681 PHE CD# . 50218 1 410 . 1 . 1 37 37 PHE CE1 C 13 130.812 0.00 . . . . . . . 681 PHE CE# . 50218 1 411 . 1 . 1 37 37 PHE CE2 C 13 130.812 0.00 . . . . . . . 681 PHE CE# . 50218 1 412 . 1 . 1 37 37 PHE CZ C 13 125.020 0.00 . . . . . . . 681 PHE CZ . 50218 1 413 . 1 . 1 37 37 PHE N N 15 118.018 0.03 . . . . . . . 681 PHE N . 50218 1 414 . 1 . 1 38 38 GLY H H 1 7.990 0.00 . . . . . . . 682 GLY HN . 50218 1 415 . 1 . 1 38 38 GLY HA2 H 1 4.366 0.02 . . . . . . . 682 GLY HA2 . 50218 1 416 . 1 . 1 38 38 GLY HA3 H 1 3.869 0.00 . . . . . . . 682 GLY HA3 . 50218 1 417 . 1 . 1 38 38 GLY C C 13 173.882 0.00 . . . . . . . 682 GLY CO . 50218 1 418 . 1 . 1 38 38 GLY CA C 13 44.937 0.11 . . . . . . . 682 GLY CA . 50218 1 419 . 1 . 1 38 38 GLY N N 15 106.926 0.04 . . . . . . . 682 GLY N . 50218 1 420 . 1 . 1 39 39 GLU H H 1 8.769 0.00 . . . . . . . 683 GLU HN . 50218 1 421 . 1 . 1 39 39 GLU HA H 1 5.209 0.02 . . . . . . . 683 GLU HA . 50218 1 422 . 1 . 1 39 39 GLU HB2 H 1 2.086 0.00 . . . . . . . 683 GLU HB# . 50218 1 423 . 1 . 1 39 39 GLU HB3 H 1 2.086 0.00 . . . . . . . 683 GLU HB# . 50218 1 424 . 1 . 1 39 39 GLU HG2 H 1 2.402 0.00 . . . . . . . 683 GLU HG2 . 50218 1 425 . 1 . 1 39 39 GLU HG3 H 1 2.218 0.00 . . . . . . . 683 GLU HG3 . 50218 1 426 . 1 . 1 39 39 GLU C C 13 176.946 0.00 . . . . . . . 683 GLU CO . 50218 1 427 . 1 . 1 39 39 GLU CA C 13 56.201 0.01 . . . . . . . 683 GLU CA . 50218 1 428 . 1 . 1 39 39 GLU CB C 13 31.155 0.00 . . . . . . . 683 GLU CB . 50218 1 429 . 1 . 1 39 39 GLU CG C 13 37.256 0.03 . . . . . . . 683 GLU CG . 50218 1 430 . 1 . 1 39 39 GLU N N 15 123.019 0.01 . . . . . . . 683 GLU N . 50218 1 431 . 1 . 1 40 40 GLY H H 1 9.210 0.01 . . . . . . . 684 GLY HN . 50218 1 432 . 1 . 1 40 40 GLY HA2 H 1 4.816 0.02 . . . . . . . 684 GLY HA2 . 50218 1 433 . 1 . 1 40 40 GLY HA3 H 1 3.103 0.02 . . . . . . . 684 GLY HA3 . 50218 1 434 . 1 . 1 40 40 GLY C C 13 171.529 0.00 . . . . . . . 684 GLY CO . 50218 1 435 . 1 . 1 40 40 GLY CA C 13 46.022 0.11 . . . . . . . 684 GLY CA . 50218 1 436 . 1 . 1 40 40 GLY N N 15 111.189 0.01 . . . . . . . 684 GLY N . 50218 1 437 . 1 . 1 41 41 THR H H 1 7.510 0.00 . . . . . . . 685 THR HN . 50218 1 438 . 1 . 1 41 41 THR HA H 1 5.049 0.02 . . . . . . . 685 THR HA . 50218 1 439 . 1 . 1 41 41 THR HB H 1 3.671 0.02 . . . . . . . 685 THR HB . 50218 1 440 . 1 . 1 41 41 THR HG21 H 1 0.977 0.02 . . . . . . . 685 THR HG2# . 50218 1 441 . 1 . 1 41 41 THR HG22 H 1 0.977 0.02 . . . . . . . 685 THR HG2# . 50218 1 442 . 1 . 1 41 41 THR HG23 H 1 0.977 0.02 . . . . . . . 685 THR HG2# . 50218 1 443 . 1 . 1 41 41 THR C C 13 173.750 0.00 . . . . . . . 685 THR CO . 50218 1 444 . 1 . 1 41 41 THR CA C 13 60.545 0.19 . . . . . . . 685 THR CA . 50218 1 445 . 1 . 1 41 41 THR CB C 13 71.811 0.08 . . . . . . . 685 THR CB . 50218 1 446 . 1 . 1 41 41 THR CG2 C 13 21.332 0.10 . . . . . . . 685 THR CG2 . 50218 1 447 . 1 . 1 41 41 THR N N 15 113.981 0.01 . . . . . . . 685 THR N . 50218 1 448 . 1 . 1 42 42 ILE H H 1 8.548 0.02 . . . . . . . 686 ILE HN . 50218 1 449 . 1 . 1 42 42 ILE HA H 1 3.959 0.02 . . . . . . . 686 ILE HA . 50218 1 450 . 1 . 1 42 42 ILE HB H 1 2.133 0.00 . . . . . . . 686 ILE HB . 50218 1 451 . 1 . 1 42 42 ILE HG12 H 1 1.723 0.00 . . . . . . . 686 ILE HG1# . 50218 1 452 . 1 . 1 42 42 ILE HG13 H 1 1.723 0.00 . . . . . . . 686 ILE HG1# . 50218 1 453 . 1 . 1 42 42 ILE HG21 H 1 0.802 0.01 . . . . . . . 686 ILE HG2# . 50218 1 454 . 1 . 1 42 42 ILE HG22 H 1 0.802 0.01 . . . . . . . 686 ILE HG2# . 50218 1 455 . 1 . 1 42 42 ILE HG23 H 1 0.802 0.01 . . . . . . . 686 ILE HG2# . 50218 1 456 . 1 . 1 42 42 ILE HD11 H 1 0.810 0.01 . . . . . . . 686 ILE HD1# . 50218 1 457 . 1 . 1 42 42 ILE HD12 H 1 0.810 0.01 . . . . . . . 686 ILE HD1# . 50218 1 458 . 1 . 1 42 42 ILE HD13 H 1 0.810 0.01 . . . . . . . 686 ILE HD1# . 50218 1 459 . 1 . 1 42 42 ILE C C 13 176.029 0.01 . . . . . . . 686 ILE CO . 50218 1 460 . 1 . 1 42 42 ILE CA C 13 63.357 0.11 . . . . . . . 686 ILE CA . 50218 1 461 . 1 . 1 42 42 ILE CB C 13 37.268 0.11 . . . . . . . 686 ILE CB . 50218 1 462 . 1 . 1 42 42 ILE CG1 C 13 28.176 0.11 . . . . . . . 686 ILE CG1 . 50218 1 463 . 1 . 1 42 42 ILE CG2 C 13 17.993 0.08 . . . . . . . 686 ILE CG2 . 50218 1 464 . 1 . 1 42 42 ILE CD1 C 13 14.663 1.12 . . . . . . . 686 ILE CD1 . 50218 1 465 . 1 . 1 42 42 ILE N N 15 125.959 0.02 . . . . . . . 686 ILE N . 50218 1 466 . 1 . 1 43 43 VAL H H 1 8.883 0.01 . . . . . . . 687 VAL HN . 50218 1 467 . 1 . 1 43 43 VAL HA H 1 4.480 0.02 . . . . . . . 687 VAL HA . 50218 1 468 . 1 . 1 43 43 VAL HB H 1 2.116 0.01 . . . . . . . 687 VAL HB . 50218 1 469 . 1 . 1 43 43 VAL HG11 H 1 0.780 0.02 . . . . . . . 687 VAL HG1# . 50218 1 470 . 1 . 1 43 43 VAL HG12 H 1 0.780 0.02 . . . . . . . 687 VAL HG1# . 50218 1 471 . 1 . 1 43 43 VAL HG13 H 1 0.780 0.02 . . . . . . . 687 VAL HG1# . 50218 1 472 . 1 . 1 43 43 VAL HG21 H 1 0.503 0.02 . . . . . . . 687 VAL HG2# . 50218 1 473 . 1 . 1 43 43 VAL HG22 H 1 0.503 0.02 . . . . . . . 687 VAL HG2# . 50218 1 474 . 1 . 1 43 43 VAL HG23 H 1 0.503 0.02 . . . . . . . 687 VAL HG2# . 50218 1 475 . 1 . 1 43 43 VAL C C 13 175.206 0.00 . . . . . . . 687 VAL CO . 50218 1 476 . 1 . 1 43 43 VAL CA C 13 61.390 0.14 . . . . . . . 687 VAL CA . 50218 1 477 . 1 . 1 43 43 VAL CB C 13 32.995 0.15 . . . . . . . 687 VAL CB . 50218 1 478 . 1 . 1 43 43 VAL CG1 C 13 21.622 0.12 . . . . . . . 687 VAL CG1 . 50218 1 479 . 1 . 1 43 43 VAL CG2 C 13 18.241 0.11 . . . . . . . 687 VAL CG2 . 50218 1 480 . 1 . 1 43 43 VAL N N 15 123.626 0.01 . . . . . . . 687 VAL N . 50218 1 481 . 1 . 1 44 44 ASN H H 1 7.792 0.00 . . . . . . . 688 ASN HN . 50218 1 482 . 1 . 1 44 44 ASN HA H 1 4.727 0.01 . . . . . . . 688 ASN HA . 50218 1 483 . 1 . 1 44 44 ASN HB2 H 1 2.881 0.01 . . . . . . . 688 ASN HB2 . 50218 1 484 . 1 . 1 44 44 ASN HB3 H 1 2.520 0.02 . . . . . . . 688 ASN HB3 . 50218 1 485 . 1 . 1 44 44 ASN C C 13 173.011 0.01 . . . . . . . 688 ASN CO . 50218 1 486 . 1 . 1 44 44 ASN CA C 13 52.744 0.07 . . . . . . . 688 ASN CA . 50218 1 487 . 1 . 1 44 44 ASN CB C 13 41.363 0.11 . . . . . . . 688 ASN CB . 50218 1 488 . 1 . 1 44 44 ASN N N 15 117.199 0.02 . . . . . . . 688 ASN N . 50218 1 489 . 1 . 1 45 45 MET H H 1 8.704 0.01 . . . . . . . 689 MET HN . 50218 1 490 . 1 . 1 45 45 MET HA H 1 5.257 0.00 . . . . . . . 689 MET HA . 50218 1 491 . 1 . 1 45 45 MET HB2 H 1 2.207 0.00 . . . . . . . 689 MET HB2 . 50218 1 492 . 1 . 1 45 45 MET HB3 H 1 2.006 0.00 . . . . . . . 689 MET HB3 . 50218 1 493 . 1 . 1 45 45 MET HG2 H 1 2.427 0.00 . . . . . . . 689 MET HG2 . 50218 1 494 . 1 . 1 45 45 MET HG3 H 1 2.278 0.00 . . . . . . . 689 MET HG3 . 50218 1 495 . 1 . 1 45 45 MET C C 13 173.488 0.00 . . . . . . . 689 MET CO . 50218 1 496 . 1 . 1 45 45 MET CA C 13 55.765 0.02 . . . . . . . 689 MET CA . 50218 1 497 . 1 . 1 45 45 MET CB C 13 36.976 0.02 . . . . . . . 689 MET CB . 50218 1 498 . 1 . 1 45 45 MET CG C 13 31.360 0.00 . . . . . . . 689 MET CG . 50218 1 499 . 1 . 1 45 45 MET N N 15 119.378 0.03 . . . . . . . 689 MET N . 50218 1 500 . 1 . 1 46 46 GLU H H 1 8.952 0.00 . . . . . . . 690 GLU HN . 50218 1 501 . 1 . 1 46 46 GLU HA H 1 4.777 0.00 . . . . . . . 690 GLU HA . 50218 1 502 . 1 . 1 46 46 GLU HB2 H 1 2.046 0.00 . . . . . . . 690 GLU HB2 . 50218 1 503 . 1 . 1 46 46 GLU HB3 H 1 1.931 0.00 . . . . . . . 690 GLU HB3 . 50218 1 504 . 1 . 1 46 46 GLU HG2 H 1 2.191 0.00 . . . . . . . 690 GLU HG# . 50218 1 505 . 1 . 1 46 46 GLU HG3 H 1 2.191 0.00 . . . . . . . 690 GLU HG# . 50218 1 506 . 1 . 1 46 46 GLU C C 13 175.338 0.01 . . . . . . . 690 GLU CO . 50218 1 507 . 1 . 1 46 46 GLU CA C 13 55.401 0.08 . . . . . . . 690 GLU CA . 50218 1 508 . 1 . 1 46 46 GLU CB C 13 33.747 0.00 . . . . . . . 690 GLU CB . 50218 1 509 . 1 . 1 46 46 GLU CG C 13 35.964 0.00 . . . . . . . 690 GLU CG . 50218 1 510 . 1 . 1 46 46 GLU N N 15 120.911 0.02 . . . . . . . 690 GLU N . 50218 1 511 . 1 . 1 47 47 GLY H H 1 8.588 0.00 . . . . . . . 691 GLY HN . 50218 1 512 . 1 . 1 47 47 GLY HA2 H 1 4.347 0.01 . . . . . . . 691 GLY HA2 . 50218 1 513 . 1 . 1 47 47 GLY HA3 H 1 3.852 0.01 . . . . . . . 691 GLY HA3 . 50218 1 514 . 1 . 1 47 47 GLY C C 13 172.662 0.01 . . . . . . . 691 GLY CO . 50218 1 515 . 1 . 1 47 47 GLY CA C 13 44.443 0.07 . . . . . . . 691 GLY CA . 50218 1 516 . 1 . 1 47 47 GLY N N 15 110.354 0.02 . . . . . . . 691 GLY N . 50218 1 517 . 1 . 1 48 48 SER H H 1 7.872 0.01 . . . . . . . 692 SER HN . 50218 1 518 . 1 . 1 48 48 SER HA H 1 4.790 0.01 . . . . . . . 692 SER HA . 50218 1 519 . 1 . 1 48 48 SER HB2 H 1 3.811 0.02 . . . . . . . 692 SER HB# . 50218 1 520 . 1 . 1 48 48 SER HB3 H 1 3.811 0.02 . . . . . . . 692 SER HB# . 50218 1 521 . 1 . 1 48 48 SER C C 13 174.502 0.01 . . . . . . . 692 SER CO . 50218 1 522 . 1 . 1 48 48 SER CA C 13 57.178 0.09 . . . . . . . 692 SER CA . 50218 1 523 . 1 . 1 48 48 SER CB C 13 65.428 0.17 . . . . . . . 692 SER CB . 50218 1 524 . 1 . 1 48 48 SER N N 15 111.606 0.02 . . . . . . . 692 SER N . 50218 1 525 . 1 . 1 49 49 GLY H H 1 8.918 0.00 . . . . . . . 693 GLY HN . 50218 1 526 . 1 . 1 49 49 GLY HA2 H 1 4.047 0.03 . . . . . . . 693 GLY HA2 . 50218 1 527 . 1 . 1 49 49 GLY HA3 H 1 3.872 0.02 . . . . . . . 693 GLY HA3 . 50218 1 528 . 1 . 1 49 49 GLY C C 13 176.524 0.00 . . . . . . . 693 GLY CO . 50218 1 529 . 1 . 1 49 49 GLY CA C 13 46.173 0.10 . . . . . . . 693 GLY CA . 50218 1 530 . 1 . 1 49 49 GLY N N 15 111.118 0.02 . . . . . . . 693 GLY N . 50218 1 531 . 1 . 1 50 50 GLU HA H 1 4.116 0.02 . . . . . . . 694 GLU HA . 50218 1 532 . 1 . 1 50 50 GLU HB2 H 1 1.867 0.00 . . . . . . . 694 GLU HB# . 50218 1 533 . 1 . 1 50 50 GLU HB3 H 1 1.867 0.00 . . . . . . . 694 GLU HB# . 50218 1 534 . 1 . 1 50 50 GLU HG2 H 1 1.963 0.00 . . . . . . . 694 GLU HG# . 50218 1 535 . 1 . 1 50 50 GLU HG3 H 1 1.963 0.00 . . . . . . . 694 GLU HG# . 50218 1 536 . 1 . 1 50 50 GLU C C 13 176.720 0.00 . . . . . . . 694 GLU CO . 50218 1 537 . 1 . 1 50 50 GLU CA C 13 58.518 0.08 . . . . . . . 694 GLU CA . 50218 1 538 . 1 . 1 50 50 GLU CB C 13 29.021 0.08 . . . . . . . 694 GLU CB . 50218 1 539 . 1 . 1 50 50 GLU CG C 13 35.625 0.14 . . . . . . . 694 GLU CG . 50218 1 540 . 1 . 1 51 51 HIS H H 1 8.004 0.01 . . . . . . . 695 HIS HN . 50218 1 541 . 1 . 1 51 51 HIS HA H 1 4.771 0.00 . . . . . . . 695 HIS HA . 50218 1 542 . 1 . 1 51 51 HIS HB2 H 1 3.420 0.00 . . . . . . . 695 HIS HB2 . 50218 1 543 . 1 . 1 51 51 HIS HB3 H 1 3.168 0.00 . . . . . . . 695 HIS HB3 . 50218 1 544 . 1 . 1 51 51 HIS HD2 H 1 7.082 0.00 . . . . . . . 695 HIS HD2 . 50218 1 545 . 1 . 1 51 51 HIS C C 13 174.903 0.00 . . . . . . . 695 HIS CO . 50218 1 546 . 1 . 1 51 51 HIS CA C 13 55.190 0.00 . . . . . . . 695 HIS CA . 50218 1 547 . 1 . 1 51 51 HIS CB C 13 29.664 0.00 . . . . . . . 695 HIS CB . 50218 1 548 . 1 . 1 51 51 HIS CD2 C 13 119.302 0.00 . . . . . . . 695 HIS CD2 . 50218 1 549 . 1 . 1 51 51 HIS N N 15 117.491 0.03 . . . . . . . 695 HIS N . 50218 1 550 . 1 . 1 52 52 SER H H 1 7.364 0.00 . . . . . . . 696 SER HN . 50218 1 551 . 1 . 1 52 52 SER HA H 1 4.475 0.02 . . . . . . . 696 SER HA . 50218 1 552 . 1 . 1 52 52 SER HB2 H 1 3.853 0.00 . . . . . . . 696 SER HB2 . 50218 1 553 . 1 . 1 52 52 SER HB3 H 1 3.739 0.02 . . . . . . . 696 SER HB3 . 50218 1 554 . 1 . 1 52 52 SER C C 13 174.159 0.00 . . . . . . . 696 SER CO . 50218 1 555 . 1 . 1 52 52 SER CA C 13 59.794 0.23 . . . . . . . 696 SER CA . 50218 1 556 . 1 . 1 52 52 SER CB C 13 63.915 0.11 . . . . . . . 696 SER CB . 50218 1 557 . 1 . 1 52 52 SER N N 15 115.824 0.02 . . . . . . . 696 SER N . 50218 1 558 . 1 . 1 53 53 ARG H H 1 9.295 0.01 . . . . . . . 697 ARG HN . 50218 1 559 . 1 . 1 53 53 ARG HA H 1 5.275 0.00 . . . . . . . 697 ARG HA . 50218 1 560 . 1 . 1 53 53 ARG HB2 H 1 1.963 0.00 . . . . . . . 697 ARG HB2 . 50218 1 561 . 1 . 1 53 53 ARG HB3 H 1 1.839 0.00 . . . . . . . 697 ARG HB3 . 50218 1 562 . 1 . 1 53 53 ARG HG2 H 1 1.824 0.02 . . . . . . . 697 ARG HG2 . 50218 1 563 . 1 . 1 53 53 ARG HG3 H 1 1.624 0.02 . . . . . . . 697 ARG HG3 . 50218 1 564 . 1 . 1 53 53 ARG HD2 H 1 3.063 0.00 . . . . . . . 697 ARG HD2 . 50218 1 565 . 1 . 1 53 53 ARG HD3 H 1 2.926 0.00 . . . . . . . 697 ARG HD3 . 50218 1 566 . 1 . 1 53 53 ARG C C 13 174.674 0.00 . . . . . . . 697 ARG CO . 50218 1 567 . 1 . 1 53 53 ARG CA C 13 55.060 0.05 . . . . . . . 697 ARG CA . 50218 1 568 . 1 . 1 53 53 ARG CB C 13 34.575 0.12 . . . . . . . 697 ARG CB . 50218 1 569 . 1 . 1 53 53 ARG CG C 13 27.396 0.12 . . . . . . . 697 ARG CG . 50218 1 570 . 1 . 1 53 53 ARG CD C 13 43.557 0.03 . . . . . . . 697 ARG CD . 50218 1 571 . 1 . 1 53 53 ARG N N 15 124.461 0.02 . . . . . . . 697 ARG N . 50218 1 572 . 1 . 1 54 54 LEU H H 1 9.362 0.00 . . . . . . . 698 LEU HN . 50218 1 573 . 1 . 1 54 54 LEU HA H 1 4.847 0.02 . . . . . . . 698 LEU HA . 50218 1 574 . 1 . 1 54 54 LEU HB2 H 1 1.552 0.02 . . . . . . . 698 LEU HB2 . 50218 1 575 . 1 . 1 54 54 LEU HB3 H 1 1.080 0.02 . . . . . . . 698 LEU HB3 . 50218 1 576 . 1 . 1 54 54 LEU HG H 1 1.458 0.01 . . . . . . . 698 LEU HG . 50218 1 577 . 1 . 1 54 54 LEU HD11 H 1 0.277 0.02 . . . . . . . 698 LEU HD1# . 50218 1 578 . 1 . 1 54 54 LEU HD12 H 1 0.277 0.02 . . . . . . . 698 LEU HD1# . 50218 1 579 . 1 . 1 54 54 LEU HD13 H 1 0.277 0.02 . . . . . . . 698 LEU HD1# . 50218 1 580 . 1 . 1 54 54 LEU HD21 H 1 0.682 0.02 . . . . . . . 698 LEU HD2# . 50218 1 581 . 1 . 1 54 54 LEU HD22 H 1 0.682 0.02 . . . . . . . 698 LEU HD2# . 50218 1 582 . 1 . 1 54 54 LEU HD23 H 1 0.682 0.02 . . . . . . . 698 LEU HD2# . 50218 1 583 . 1 . 1 54 54 LEU C C 13 173.719 0.00 . . . . . . . 698 LEU CO . 50218 1 584 . 1 . 1 54 54 LEU CA C 13 53.112 0.12 . . . . . . . 698 LEU CA . 50218 1 585 . 1 . 1 54 54 LEU CB C 13 45.540 0.08 . . . . . . . 698 LEU CB . 50218 1 586 . 1 . 1 54 54 LEU CG C 13 26.947 0.08 . . . . . . . 698 LEU CG . 50218 1 587 . 1 . 1 54 54 LEU CD1 C 13 25.315 0.08 . . . . . . . 698 LEU CD1 . 50218 1 588 . 1 . 1 54 54 LEU CD2 C 13 23.828 0.08 . . . . . . . 698 LEU CD2 . 50218 1 589 . 1 . 1 54 54 LEU N N 15 121.420 0.01 . . . . . . . 698 LEU N . 50218 1 590 . 1 . 1 55 55 GLN H H 1 8.456 0.01 . . . . . . . 699 GLN HN . 50218 1 591 . 1 . 1 55 55 GLN HA H 1 4.208 0.00 . . . . . . . 699 GLN HA . 50218 1 592 . 1 . 1 55 55 GLN HB2 H 1 1.220 0.00 . . . . . . . 699 GLN HB2 . 50218 1 593 . 1 . 1 55 55 GLN HB3 H 1 -0.899 0.02 . . . . . . . 699 GLN HB3 . 50218 1 594 . 1 . 1 55 55 GLN HG2 H 1 1.151 0.15 . . . . . . . 699 GLN HG2 . 50218 1 595 . 1 . 1 55 55 GLN HG3 H 1 0.224 0.00 . . . . . . . 699 GLN HG3 . 50218 1 596 . 1 . 1 55 55 GLN C C 13 174.427 0.00 . . . . . . . 699 GLN CO . 50218 1 597 . 1 . 1 55 55 GLN CA C 13 53.833 0.12 . . . . . . . 699 GLN CA . 50218 1 598 . 1 . 1 55 55 GLN CB C 13 28.118 0.11 . . . . . . . 699 GLN CB . 50218 1 599 . 1 . 1 55 55 GLN CG C 13 33.988 0.13 . . . . . . . 699 GLN CG . 50218 1 600 . 1 . 1 55 55 GLN N N 15 126.498 0.01 . . . . . . . 699 GLN N . 50218 1 601 . 1 . 1 56 56 VAL H H 1 8.798 0.01 . . . . . . . 700 VAL HN . 50218 1 602 . 1 . 1 56 56 VAL HA H 1 4.259 0.02 . . . . . . . 700 VAL HA . 50218 1 603 . 1 . 1 56 56 VAL HB H 1 1.309 0.00 . . . . . . . 700 VAL HB . 50218 1 604 . 1 . 1 56 56 VAL HG11 H 1 0.478 0.02 . . . . . . . 700 VAL HG1# . 50218 1 605 . 1 . 1 56 56 VAL HG12 H 1 0.478 0.02 . . . . . . . 700 VAL HG1# . 50218 1 606 . 1 . 1 56 56 VAL HG13 H 1 0.478 0.02 . . . . . . . 700 VAL HG1# . 50218 1 607 . 1 . 1 56 56 VAL HG21 H 1 -0.532 0.02 . . . . . . . 700 VAL HG2# . 50218 1 608 . 1 . 1 56 56 VAL HG22 H 1 -0.532 0.02 . . . . . . . 700 VAL HG2# . 50218 1 609 . 1 . 1 56 56 VAL HG23 H 1 -0.532 0.02 . . . . . . . 700 VAL HG2# . 50218 1 610 . 1 . 1 56 56 VAL C C 13 173.026 0.00 . . . . . . . 700 VAL CO . 50218 1 611 . 1 . 1 56 56 VAL CA C 13 60.020 0.12 . . . . . . . 700 VAL CA . 50218 1 612 . 1 . 1 56 56 VAL CB C 13 34.117 0.10 . . . . . . . 700 VAL CB . 50218 1 613 . 1 . 1 56 56 VAL CG1 C 13 21.476 0.09 . . . . . . . 700 VAL CG1 . 50218 1 614 . 1 . 1 56 56 VAL CG2 C 13 20.676 0.10 . . . . . . . 700 VAL CG2 . 50218 1 615 . 1 . 1 56 56 VAL N N 15 128.069 0.03 . . . . . . . 700 VAL N . 50218 1 616 . 1 . 1 57 57 ALA H H 1 8.430 0.00 . . . . . . . 701 ALA HN . 50218 1 617 . 1 . 1 57 57 ALA HA H 1 4.389 0.01 . . . . . . . 701 ALA HA . 50218 1 618 . 1 . 1 57 57 ALA HB1 H 1 1.157 0.02 . . . . . . . 701 ALA HB# . 50218 1 619 . 1 . 1 57 57 ALA HB2 H 1 1.157 0.02 . . . . . . . 701 ALA HB# . 50218 1 620 . 1 . 1 57 57 ALA HB3 H 1 1.157 0.02 . . . . . . . 701 ALA HB# . 50218 1 621 . 1 . 1 57 57 ALA C C 13 176.274 0.00 . . . . . . . 701 ALA CO . 50218 1 622 . 1 . 1 57 57 ALA CA C 13 50.372 0.09 . . . . . . . 701 ALA CA . 50218 1 623 . 1 . 1 57 57 ALA CB C 13 18.813 0.10 . . . . . . . 701 ALA CB . 50218 1 624 . 1 . 1 57 57 ALA N N 15 128.828 0.01 . . . . . . . 701 ALA N . 50218 1 625 . 1 . 1 58 58 PHE H H 1 8.439 0.00 . . . . . . . 702 PHE HN . 50218 1 626 . 1 . 1 58 58 PHE HA H 1 4.924 0.03 . . . . . . . 702 PHE HA . 50218 1 627 . 1 . 1 58 58 PHE HB2 H 1 3.127 0.00 . . . . . . . 702 PHE HB2 . 50218 1 628 . 1 . 1 58 58 PHE HB3 H 1 2.843 0.00 . . . . . . . 702 PHE HB3 . 50218 1 629 . 1 . 1 58 58 PHE HD1 H 1 6.837 0.00 . . . . . . . 702 PHE HD# . 50218 1 630 . 1 . 1 58 58 PHE HD2 H 1 6.837 0.00 . . . . . . . 702 PHE HD# . 50218 1 631 . 1 . 1 58 58 PHE HE1 H 1 6.971 0.00 . . . . . . . 702 PHE HE# . 50218 1 632 . 1 . 1 58 58 PHE HE2 H 1 6.971 0.00 . . . . . . . 702 PHE HE# . 50218 1 633 . 1 . 1 58 58 PHE HZ H 1 6.759 0.00 . . . . . . . 702 PHE HZ . 50218 1 634 . 1 . 1 58 58 PHE C C 13 176.704 0.01 . . . . . . . 702 PHE CO . 50218 1 635 . 1 . 1 58 58 PHE CA C 13 58.417 0.10 . . . . . . . 702 PHE CA . 50218 1 636 . 1 . 1 58 58 PHE CB C 13 40.037 0.10 . . . . . . . 702 PHE CB . 50218 1 637 . 1 . 1 58 58 PHE CD1 C 13 132.799 0.00 . . . . . . . 702 PHE CD# . 50218 1 638 . 1 . 1 58 58 PHE CD2 C 13 132.799 0.00 . . . . . . . 702 PHE CD# . 50218 1 639 . 1 . 1 58 58 PHE CE1 C 13 130.913 0.00 . . . . . . . 702 PHE CE# . 50218 1 640 . 1 . 1 58 58 PHE CE2 C 13 130.913 0.00 . . . . . . . 702 PHE CE# . 50218 1 641 . 1 . 1 58 58 PHE CZ C 13 128.262 0.00 . . . . . . . 702 PHE CZ . 50218 1 642 . 1 . 1 58 58 PHE N N 15 125.208 0.02 . . . . . . . 702 PHE N . 50218 1 643 . 1 . 1 59 59 GLN H H 1 8.991 0.00 . . . . . . . 703 GLN HN . 50218 1 644 . 1 . 1 59 59 GLN HA H 1 4.153 0.00 . . . . . . . 703 GLN HA . 50218 1 645 . 1 . 1 59 59 GLN HB2 H 1 2.211 0.00 . . . . . . . 703 GLN HB# . 50218 1 646 . 1 . 1 59 59 GLN HB3 H 1 2.211 0.00 . . . . . . . 703 GLN HB# . 50218 1 647 . 1 . 1 59 59 GLN HG2 H 1 2.505 0.02 . . . . . . . 703 GLN HG# . 50218 1 648 . 1 . 1 59 59 GLN HG3 H 1 2.505 0.02 . . . . . . . 703 GLN HG# . 50218 1 649 . 1 . 1 59 59 GLN C C 13 177.380 0.00 . . . . . . . 703 GLN CO . 50218 1 650 . 1 . 1 59 59 GLN CA C 13 57.968 0.00 . . . . . . . 703 GLN CA . 50218 1 651 . 1 . 1 59 59 GLN CB C 13 28.170 0.13 . . . . . . . 703 GLN CB . 50218 1 652 . 1 . 1 59 59 GLN CG C 13 33.631 0.13 . . . . . . . 703 GLN CG . 50218 1 653 . 1 . 1 59 59 GLN N N 15 124.967 0.01 . . . . . . . 703 GLN N . 50218 1 654 . 1 . 1 60 60 GLY HA2 H 1 4.193 0.00 . . . . . . . 704 GLY HA2 . 50218 1 655 . 1 . 1 60 60 GLY HA3 H 1 3.970 0.00 . . . . . . . 704 GLY HA3 . 50218 1 656 . 1 . 1 60 60 GLY C C 13 174.812 0.00 . . . . . . . 704 GLY CO . 50218 1 657 . 1 . 1 60 60 GLY CA C 13 45.810 0.00 . . . . . . . 704 GLY CA . 50218 1 658 . 1 . 1 61 61 GLN H H 1 7.486 0.00 . . . . . . . 705 GLN HN . 50218 1 659 . 1 . 1 61 61 GLN HA H 1 4.521 0.00 . . . . . . . 705 GLN HA . 50218 1 660 . 1 . 1 61 61 GLN HB2 H 1 2.257 0.00 . . . . . . . 705 GLN HB2 . 50218 1 661 . 1 . 1 61 61 GLN HB3 H 1 1.561 0.00 . . . . . . . 705 GLN HB3 . 50218 1 662 . 1 . 1 61 61 GLN HG2 H 1 2.377 0.00 . . . . . . . 705 GLN HG2 . 50218 1 663 . 1 . 1 61 61 GLN HG3 H 1 2.260 0.00 . . . . . . . 705 GLN HG3 . 50218 1 664 . 1 . 1 61 61 GLN C C 13 175.143 0.00 . . . . . . . 705 GLN CO . 50218 1 665 . 1 . 1 61 61 GLN CA C 13 55.291 0.00 . . . . . . . 705 GLN CA . 50218 1 666 . 1 . 1 61 61 GLN CB C 13 30.341 0.00 . . . . . . . 705 GLN CB . 50218 1 667 . 1 . 1 61 61 GLN CG C 13 33.586 0.05 . . . . . . . 705 GLN CG . 50218 1 668 . 1 . 1 61 61 GLN N N 15 117.189 0.02 . . . . . . . 705 GLN N . 50218 1 669 . 1 . 1 62 62 GLY H H 1 7.925 0.00 . . . . . . . 706 GLY HN . 50218 1 670 . 1 . 1 62 62 GLY HA2 H 1 4.168 0.00 . . . . . . . 706 GLY HA2 . 50218 1 671 . 1 . 1 62 62 GLY HA3 H 1 3.820 0.00 . . . . . . . 706 GLY HA3 . 50218 1 672 . 1 . 1 62 62 GLY C C 13 172.401 0.00 . . . . . . . 706 GLY CO . 50218 1 673 . 1 . 1 62 62 GLY CA C 13 44.583 0.00 . . . . . . . 706 GLY CA . 50218 1 674 . 1 . 1 62 62 GLY N N 15 107.904 0.04 . . . . . . . 706 GLY N . 50218 1 675 . 1 . 1 63 63 ILE H H 1 8.149 0.00 . . . . . . . 707 ILE HN . 50218 1 676 . 1 . 1 63 63 ILE HA H 1 4.787 0.02 . . . . . . . 707 ILE HA . 50218 1 677 . 1 . 1 63 63 ILE HB H 1 1.570 0.00 . . . . . . . 707 ILE HB . 50218 1 678 . 1 . 1 63 63 ILE HG12 H 1 1.522 0.01 . . . . . . . 707 ILE HG12 . 50218 1 679 . 1 . 1 63 63 ILE HG13 H 1 0.814 0.01 . . . . . . . 707 ILE HG13 . 50218 1 680 . 1 . 1 63 63 ILE HG21 H 1 0.494 0.01 . . . . . . . 707 ILE HG2# . 50218 1 681 . 1 . 1 63 63 ILE HG22 H 1 0.494 0.01 . . . . . . . 707 ILE HG2# . 50218 1 682 . 1 . 1 63 63 ILE HG23 H 1 0.494 0.01 . . . . . . . 707 ILE HG2# . 50218 1 683 . 1 . 1 63 63 ILE HD11 H 1 0.728 0.01 . . . . . . . 707 ILE HD1# . 50218 1 684 . 1 . 1 63 63 ILE HD12 H 1 0.728 0.01 . . . . . . . 707 ILE HD1# . 50218 1 685 . 1 . 1 63 63 ILE HD13 H 1 0.728 0.01 . . . . . . . 707 ILE HD1# . 50218 1 686 . 1 . 1 63 63 ILE C C 13 176.723 0.00 . . . . . . . 707 ILE CO . 50218 1 687 . 1 . 1 63 63 ILE CA C 13 60.460 0.12 . . . . . . . 707 ILE CA . 50218 1 688 . 1 . 1 63 63 ILE CB C 13 38.432 0.08 . . . . . . . 707 ILE CB . 50218 1 689 . 1 . 1 63 63 ILE CG1 C 13 27.912 0.08 . . . . . . . 707 ILE CG1 . 50218 1 690 . 1 . 1 63 63 ILE CG2 C 13 18.177 0.08 . . . . . . . 707 ILE CG2 . 50218 1 691 . 1 . 1 63 63 ILE CD1 C 13 12.982 0.06 . . . . . . . 707 ILE CD1 . 50218 1 692 . 1 . 1 63 63 ILE N N 15 119.938 0.01 . . . . . . . 707 ILE N . 50218 1 693 . 1 . 1 64 64 LYS H H 1 8.692 0.01 . . . . . . . 708 LYS HN . 50218 1 694 . 1 . 1 64 64 LYS HA H 1 4.739 0.00 . . . . . . . 708 LYS HA . 50218 1 695 . 1 . 1 64 64 LYS HB2 H 1 1.719 0.02 . . . . . . . 708 LYS HB2 . 50218 1 696 . 1 . 1 64 64 LYS HB3 H 1 1.476 0.01 . . . . . . . 708 LYS HB3 . 50218 1 697 . 1 . 1 64 64 LYS HG2 H 1 1.204 0.00 . . . . . . . 708 LYS HG2 . 50218 1 698 . 1 . 1 64 64 LYS HG3 H 1 0.818 0.02 . . . . . . . 708 LYS HG3 . 50218 1 699 . 1 . 1 64 64 LYS HD2 H 1 1.215 0.02 . . . . . . . 708 LYS HD2 . 50218 1 700 . 1 . 1 64 64 LYS HD3 H 1 0.937 0.02 . . . . . . . 708 LYS HD3 . 50218 1 701 . 1 . 1 64 64 LYS HE2 H 1 2.271 0.02 . . . . . . . 708 LYS HE2 . 50218 1 702 . 1 . 1 64 64 LYS HE3 H 1 1.955 0.02 . . . . . . . 708 LYS HE3 . 50218 1 703 . 1 . 1 64 64 LYS C C 13 175.239 0.00 . . . . . . . 708 LYS CO . 50218 1 704 . 1 . 1 64 64 LYS CA C 13 54.167 0.12 . . . . . . . 708 LYS CA . 50218 1 705 . 1 . 1 64 64 LYS CB C 13 37.005 0.08 . . . . . . . 708 LYS CB . 50218 1 706 . 1 . 1 64 64 LYS CG C 13 24.539 0.08 . . . . . . . 708 LYS CG . 50218 1 707 . 1 . 1 64 64 LYS CD C 13 28.506 0.11 . . . . . . . 708 LYS CD . 50218 1 708 . 1 . 1 64 64 LYS CE C 13 41.791 0.09 . . . . . . . 708 LYS CE . 50218 1 709 . 1 . 1 64 64 LYS N N 15 126.674 0.00 . . . . . . . 708 LYS N . 50218 1 710 . 1 . 1 65 65 TRP H H 1 8.643 0.00 . . . . . . . 709 TRP HN . 50218 1 711 . 1 . 1 65 65 TRP HA H 1 5.347 0.00 . . . . . . . 709 TRP HA . 50218 1 712 . 1 . 1 65 65 TRP HB2 H 1 3.062 0.00 . . . . . . . 709 TRP HB2 . 50218 1 713 . 1 . 1 65 65 TRP HB3 H 1 2.885 0.00 . . . . . . . 709 TRP HB3 . 50218 1 714 . 1 . 1 65 65 TRP HD1 H 1 7.248 0.00 . . . . . . . 709 TRP HD1 . 50218 1 715 . 1 . 1 65 65 TRP HE1 H 1 10.006 0.00 . . . . . . . 709 TRP HE1 . 50218 1 716 . 1 . 1 65 65 TRP HE3 H 1 7.157 0.00 . . . . . . . 709 TRP HE3 . 50218 1 717 . 1 . 1 65 65 TRP HZ2 H 1 7.283 0.00 . . . . . . . 709 TRP HZ2 . 50218 1 718 . 1 . 1 65 65 TRP HZ3 H 1 6.610 0.00 . . . . . . . 709 TRP HZ3 . 50218 1 719 . 1 . 1 65 65 TRP HH2 H 1 6.784 0.00 . . . . . . . 709 TRP HH2 . 50218 1 720 . 1 . 1 65 65 TRP C C 13 176.641 0.00 . . . . . . . 709 TRP CO . 50218 1 721 . 1 . 1 65 65 TRP CA C 13 56.704 0.04 . . . . . . . 709 TRP CA . 50218 1 722 . 1 . 1 65 65 TRP CB C 13 30.645 0.03 . . . . . . . 709 TRP CB . 50218 1 723 . 1 . 1 65 65 TRP CD1 C 13 127.398 0.00 . . . . . . . 709 TRP CD1 . 50218 1 724 . 1 . 1 65 65 TRP CE3 C 13 120.157 0.00 . . . . . . . 709 TRP CE3 . 50218 1 725 . 1 . 1 65 65 TRP CZ2 C 13 115.025 0.00 . . . . . . . 709 TRP CZ2 . 50218 1 726 . 1 . 1 65 65 TRP CZ3 C 13 121.425 0.00 . . . . . . . 709 TRP CZ3 . 50218 1 727 . 1 . 1 65 65 TRP CH2 C 13 123.675 0.00 . . . . . . . 709 TRP CH2 . 50218 1 728 . 1 . 1 65 65 TRP N N 15 121.472 0.01 . . . . . . . 709 TRP N . 50218 1 729 . 1 . 1 65 65 TRP NE1 N 15 129.490 0.00 . . . . . . . 709 TRP NE1 . 50218 1 730 . 1 . 1 66 66 LEU H H 1 9.685 0.00 . . . . . . . 710 LEU HN . 50218 1 731 . 1 . 1 66 66 LEU HA H 1 4.955 0.00 . . . . . . . 710 LEU HA . 50218 1 732 . 1 . 1 66 66 LEU HB2 H 1 1.572 0.01 . . . . . . . 710 LEU HB# . 50218 1 733 . 1 . 1 66 66 LEU HB3 H 1 1.572 0.01 . . . . . . . 710 LEU HB# . 50218 1 734 . 1 . 1 66 66 LEU HG H 1 1.030 0.02 . . . . . . . 710 LEU HG . 50218 1 735 . 1 . 1 66 66 LEU HD11 H 1 1.054 0.00 . . . . . . . 710 LEU HD1# . 50218 1 736 . 1 . 1 66 66 LEU HD12 H 1 1.054 0.00 . . . . . . . 710 LEU HD1# . 50218 1 737 . 1 . 1 66 66 LEU HD13 H 1 1.054 0.00 . . . . . . . 710 LEU HD1# . 50218 1 738 . 1 . 1 66 66 LEU HD21 H 1 1.054 0.00 . . . . . . . 710 LEU HD2# . 50218 1 739 . 1 . 1 66 66 LEU HD22 H 1 1.054 0.00 . . . . . . . 710 LEU HD2# . 50218 1 740 . 1 . 1 66 66 LEU HD23 H 1 1.054 0.00 . . . . . . . 710 LEU HD2# . 50218 1 741 . 1 . 1 66 66 LEU C C 13 176.014 0.01 . . . . . . . 710 LEU CO . 50218 1 742 . 1 . 1 66 66 LEU CA C 13 53.227 0.09 . . . . . . . 710 LEU CA . 50218 1 743 . 1 . 1 66 66 LEU CB C 13 45.658 0.12 . . . . . . . 710 LEU CB . 50218 1 744 . 1 . 1 66 66 LEU CG C 13 27.108 0.09 . . . . . . . 710 LEU CG . 50218 1 745 . 1 . 1 66 66 LEU CD1 C 13 24.191 0.11 . . . . . . . 710 LEU CD# . 50218 1 746 . 1 . 1 66 66 LEU CD2 C 13 24.191 0.11 . . . . . . . 710 LEU CD# . 50218 1 747 . 1 . 1 66 66 LEU N N 15 122.973 0.02 . . . . . . . 710 LEU N . 50218 1 748 . 1 . 1 67 67 VAL H H 1 8.845 0.00 . . . . . . . 711 VAL HN . 50218 1 749 . 1 . 1 67 67 VAL HA H 1 4.225 0.02 . . . . . . . 711 VAL HA . 50218 1 750 . 1 . 1 67 67 VAL HB H 1 2.159 0.00 . . . . . . . 711 VAL HB . 50218 1 751 . 1 . 1 67 67 VAL HG11 H 1 1.094 0.00 . . . . . . . 711 VAL HG1# . 50218 1 752 . 1 . 1 67 67 VAL HG12 H 1 1.094 0.00 . . . . . . . 711 VAL HG1# . 50218 1 753 . 1 . 1 67 67 VAL HG13 H 1 1.094 0.00 . . . . . . . 711 VAL HG1# . 50218 1 754 . 1 . 1 67 67 VAL HG21 H 1 1.058 0.00 . . . . . . . 711 VAL HG2# . 50218 1 755 . 1 . 1 67 67 VAL HG22 H 1 1.058 0.00 . . . . . . . 711 VAL HG2# . 50218 1 756 . 1 . 1 67 67 VAL HG23 H 1 1.058 0.00 . . . . . . . 711 VAL HG2# . 50218 1 757 . 1 . 1 67 67 VAL C C 13 177.516 0.00 . . . . . . . 711 VAL CO . 50218 1 758 . 1 . 1 67 67 VAL CA C 13 63.235 0.08 . . . . . . . 711 VAL CA . 50218 1 759 . 1 . 1 67 67 VAL CB C 13 31.896 0.10 . . . . . . . 711 VAL CB . 50218 1 760 . 1 . 1 67 67 VAL CG1 C 13 21.420 0.00 . . . . . . . 711 VAL CG1 . 50218 1 761 . 1 . 1 67 67 VAL CG2 C 13 21.964 0.00 . . . . . . . 711 VAL CG2 . 50218 1 762 . 1 . 1 67 67 VAL N N 15 124.141 0.02 . . . . . . . 711 VAL N . 50218 1 763 . 1 . 1 68 68 ALA H H 1 8.429 0.01 . . . . . . . 712 ALA HN . 50218 1 764 . 1 . 1 68 68 ALA HA H 1 3.807 0.00 . . . . . . . 712 ALA HA . 50218 1 765 . 1 . 1 68 68 ALA HB1 H 1 1.429 0.02 . . . . . . . 712 ALA HB# . 50218 1 766 . 1 . 1 68 68 ALA HB2 H 1 1.429 0.02 . . . . . . . 712 ALA HB# . 50218 1 767 . 1 . 1 68 68 ALA HB3 H 1 1.429 0.02 . . . . . . . 712 ALA HB# . 50218 1 768 . 1 . 1 68 68 ALA C C 13 179.098 0.01 . . . . . . . 712 ALA CO . 50218 1 769 . 1 . 1 68 68 ALA CA C 13 56.367 0.11 . . . . . . . 712 ALA CA . 50218 1 770 . 1 . 1 68 68 ALA CB C 13 18.238 0.11 . . . . . . . 712 ALA CB . 50218 1 771 . 1 . 1 68 68 ALA N N 15 132.151 0.01 . . . . . . . 712 ALA N . 50218 1 772 . 1 . 1 69 69 ALA H H 1 8.703 0.01 . . . . . . . 713 ALA HN . 50218 1 773 . 1 . 1 69 69 ALA HA H 1 4.071 0.00 . . . . . . . 713 ALA HA . 50218 1 774 . 1 . 1 69 69 ALA HB1 H 1 1.090 0.02 . . . . . . . 713 ALA HB# . 50218 1 775 . 1 . 1 69 69 ALA HB2 H 1 1.090 0.02 . . . . . . . 713 ALA HB# . 50218 1 776 . 1 . 1 69 69 ALA HB3 H 1 1.090 0.02 . . . . . . . 713 ALA HB# . 50218 1 777 . 1 . 1 69 69 ALA C C 13 177.826 0.01 . . . . . . . 713 ALA CO . 50218 1 778 . 1 . 1 69 69 ALA CA C 13 54.328 0.11 . . . . . . . 713 ALA CA . 50218 1 779 . 1 . 1 69 69 ALA CB C 13 18.385 0.11 . . . . . . . 713 ALA CB . 50218 1 780 . 1 . 1 69 69 ALA N N 15 117.499 0.02 . . . . . . . 713 ALA N . 50218 1 781 . 1 . 1 70 70 TYR H H 1 7.134 0.01 . . . . . . . 714 TYR HN . 50218 1 782 . 1 . 1 70 70 TYR HA H 1 4.874 0.00 . . . . . . . 714 TYR HA . 50218 1 783 . 1 . 1 70 70 TYR HB2 H 1 3.445 0.00 . . . . . . . 714 TYR HB2 . 50218 1 784 . 1 . 1 70 70 TYR HB3 H 1 2.821 0.00 . . . . . . . 714 TYR HB3 . 50218 1 785 . 1 . 1 70 70 TYR HD1 H 1 7.085 0.00 . . . . . . . 714 TYR HD# . 50218 1 786 . 1 . 1 70 70 TYR HD2 H 1 7.085 0.00 . . . . . . . 714 TYR HD# . 50218 1 787 . 1 . 1 70 70 TYR HE1 H 1 6.879 0.00 . . . . . . . 714 TYR HE# . 50218 1 788 . 1 . 1 70 70 TYR HE2 H 1 6.879 0.00 . . . . . . . 714 TYR HE# . 50218 1 789 . 1 . 1 70 70 TYR C C 13 176.073 0.01 . . . . . . . 714 TYR CO . 50218 1 790 . 1 . 1 70 70 TYR CA C 13 55.971 0.00 . . . . . . . 714 TYR CA . 50218 1 791 . 1 . 1 70 70 TYR CB C 13 39.022 0.01 . . . . . . . 714 TYR CB . 50218 1 792 . 1 . 1 70 70 TYR CD1 C 13 132.770 0.00 . . . . . . . 714 TYR CD# . 50218 1 793 . 1 . 1 70 70 TYR CD2 C 13 132.770 0.00 . . . . . . . 714 TYR CD# . 50218 1 794 . 1 . 1 70 70 TYR CE1 C 13 118.328 0.00 . . . . . . . 714 TYR CE# . 50218 1 795 . 1 . 1 70 70 TYR CE2 C 13 118.328 0.00 . . . . . . . 714 TYR CE# . 50218 1 796 . 1 . 1 70 70 TYR N N 15 112.982 0.03 . . . . . . . 714 TYR N . 50218 1 797 . 1 . 1 71 71 ALA H H 1 7.700 0.00 . . . . . . . 715 ALA HN . 50218 1 798 . 1 . 1 71 71 ALA HA H 1 4.371 0.00 . . . . . . . 715 ALA HA . 50218 1 799 . 1 . 1 71 71 ALA HB1 H 1 1.492 0.02 . . . . . . . 715 ALA HB# . 50218 1 800 . 1 . 1 71 71 ALA HB2 H 1 1.492 0.02 . . . . . . . 715 ALA HB# . 50218 1 801 . 1 . 1 71 71 ALA HB3 H 1 1.492 0.02 . . . . . . . 715 ALA HB# . 50218 1 802 . 1 . 1 71 71 ALA C C 13 175.913 0.01 . . . . . . . 715 ALA CO . 50218 1 803 . 1 . 1 71 71 ALA CA C 13 53.665 0.10 . . . . . . . 715 ALA CA . 50218 1 804 . 1 . 1 71 71 ALA CB C 13 20.217 0.11 . . . . . . . 715 ALA CB . 50218 1 805 . 1 . 1 71 71 ALA N N 15 122.948 0.02 . . . . . . . 715 ALA N . 50218 1 806 . 1 . 1 72 72 ARG H H 1 8.342 0.00 . . . . . . . 716 ARG HN . 50218 1 807 . 1 . 1 72 72 ARG HA H 1 4.082 0.00 . . . . . . . 716 ARG HA . 50218 1 808 . 1 . 1 72 72 ARG HB2 H 1 1.843 0.02 . . . . . . . 716 ARG HB2 . 50218 1 809 . 1 . 1 72 72 ARG HB3 H 1 1.791 0.02 . . . . . . . 716 ARG HB3 . 50218 1 810 . 1 . 1 72 72 ARG HD2 H 1 3.181 0.00 . . . . . . . 716 ARG HD# . 50218 1 811 . 1 . 1 72 72 ARG HD3 H 1 3.181 0.00 . . . . . . . 716 ARG HD# . 50218 1 812 . 1 . 1 72 72 ARG C C 13 175.452 0.00 . . . . . . . 716 ARG CO . 50218 1 813 . 1 . 1 72 72 ARG CA C 13 55.887 0.08 . . . . . . . 716 ARG CA . 50218 1 814 . 1 . 1 72 72 ARG CB C 13 28.052 0.13 . . . . . . . 716 ARG CB . 50218 1 815 . 1 . 1 72 72 ARG CD C 13 43.237 0.00 . . . . . . . 716 ARG CD . 50218 1 816 . 1 . 1 72 72 ARG N N 15 115.825 0.03 . . . . . . . 716 ARG N . 50218 1 817 . 1 . 1 73 73 LEU H H 1 7.991 0.00 . . . . . . . 717 LEU HN . 50218 1 818 . 1 . 1 73 73 LEU HA H 1 4.734 0.00 . . . . . . . 717 LEU HA . 50218 1 819 . 1 . 1 73 73 LEU HB2 H 1 1.869 0.02 . . . . . . . 717 LEU HB2 . 50218 1 820 . 1 . 1 73 73 LEU HB3 H 1 1.256 0.02 . . . . . . . 717 LEU HB3 . 50218 1 821 . 1 . 1 73 73 LEU HG H 1 0.614 0.02 . . . . . . . 717 LEU HG . 50218 1 822 . 1 . 1 73 73 LEU HD11 H 1 0.962 0.00 . . . . . . . 717 LEU HD1# . 50218 1 823 . 1 . 1 73 73 LEU HD12 H 1 0.962 0.00 . . . . . . . 717 LEU HD1# . 50218 1 824 . 1 . 1 73 73 LEU HD13 H 1 0.962 0.00 . . . . . . . 717 LEU HD1# . 50218 1 825 . 1 . 1 73 73 LEU HD21 H 1 0.962 0.00 . . . . . . . 717 LEU HD2# . 50218 1 826 . 1 . 1 73 73 LEU HD22 H 1 0.962 0.00 . . . . . . . 717 LEU HD2# . 50218 1 827 . 1 . 1 73 73 LEU HD23 H 1 0.962 0.00 . . . . . . . 717 LEU HD2# . 50218 1 828 . 1 . 1 73 73 LEU C C 13 177.081 0.00 . . . . . . . 717 LEU CO . 50218 1 829 . 1 . 1 73 73 LEU CA C 13 54.127 0.08 . . . . . . . 717 LEU CA . 50218 1 830 . 1 . 1 73 73 LEU CB C 13 43.523 0.10 . . . . . . . 717 LEU CB . 50218 1 831 . 1 . 1 73 73 LEU CG C 13 25.617 0.09 . . . . . . . 717 LEU CG . 50218 1 832 . 1 . 1 73 73 LEU CD1 C 13 23.573 0.11 . . . . . . . 717 LEU CD# . 50218 1 833 . 1 . 1 73 73 LEU CD2 C 13 23.573 0.11 . . . . . . . 717 LEU CD# . 50218 1 834 . 1 . 1 73 73 LEU N N 15 119.405 0.06 . . . . . . . 717 LEU N . 50218 1 835 . 1 . 1 74 74 GLU H H 1 8.630 0.01 . . . . . . . 718 GLU HN . 50218 1 836 . 1 . 1 74 74 GLU HA H 1 4.719 0.00 . . . . . . . 718 GLU HA . 50218 1 837 . 1 . 1 74 74 GLU HB2 H 1 2.100 0.00 . . . . . . . 718 GLU HB2 . 50218 1 838 . 1 . 1 74 74 GLU HB3 H 1 1.884 0.00 . . . . . . . 718 GLU HB3 . 50218 1 839 . 1 . 1 74 74 GLU HG2 H 1 2.100 0.00 . . . . . . . 718 GLU HG# . 50218 1 840 . 1 . 1 74 74 GLU HG3 H 1 2.100 0.00 . . . . . . . 718 GLU HG# . 50218 1 841 . 1 . 1 74 74 GLU C C 13 176.199 0.00 . . . . . . . 718 GLU CO . 50218 1 842 . 1 . 1 74 74 GLU CA C 13 54.452 0.00 . . . . . . . 718 GLU CA . 50218 1 843 . 1 . 1 74 74 GLU CB C 13 32.269 0.00 . . . . . . . 718 GLU CB . 50218 1 844 . 1 . 1 74 74 GLU CG C 13 35.938 0.00 . . . . . . . 718 GLU CG . 50218 1 845 . 1 . 1 74 74 GLU N N 15 121.690 0.13 . . . . . . . 718 GLU N . 50218 1 846 . 1 . 1 75 75 SER H H 1 8.720 0.00 . . . . . . . 719 SER HN . 50218 1 847 . 1 . 1 75 75 SER HA H 1 4.692 0.01 . . . . . . . 719 SER HA . 50218 1 848 . 1 . 1 75 75 SER HB2 H 1 3.886 0.00 . . . . . . . 719 SER HB# . 50218 1 849 . 1 . 1 75 75 SER HB3 H 1 3.886 0.00 . . . . . . . 719 SER HB# . 50218 1 850 . 1 . 1 75 75 SER C C 13 173.631 0.01 . . . . . . . 719 SER CO . 50218 1 851 . 1 . 1 75 75 SER CA C 13 59.137 0.00 . . . . . . . 719 SER CA . 50218 1 852 . 1 . 1 75 75 SER CB C 13 63.600 0.00 . . . . . . . 719 SER CB . 50218 1 853 . 1 . 1 75 75 SER N N 15 119.119 0.03 . . . . . . . 719 SER N . 50218 1 854 . 1 . 1 76 76 VAL H H 1 7.616 0.01 . . . . . . . 720 VAL HN . 50218 1 855 . 1 . 1 76 76 VAL HA H 1 4.027 0.03 . . . . . . . 720 VAL HA . 50218 1 856 . 1 . 1 76 76 VAL HB H 1 1.956 0.02 . . . . . . . 720 VAL HB . 50218 1 857 . 1 . 1 76 76 VAL HG11 H 1 0.874 0.02 . . . . . . . 720 VAL HG1# . 50218 1 858 . 1 . 1 76 76 VAL HG12 H 1 0.874 0.02 . . . . . . . 720 VAL HG1# . 50218 1 859 . 1 . 1 76 76 VAL HG13 H 1 0.874 0.02 . . . . . . . 720 VAL HG1# . 50218 1 860 . 1 . 1 76 76 VAL HG21 H 1 0.780 0.01 . . . . . . . 720 VAL HG2# . 50218 1 861 . 1 . 1 76 76 VAL HG22 H 1 0.780 0.01 . . . . . . . 720 VAL HG2# . 50218 1 862 . 1 . 1 76 76 VAL HG23 H 1 0.780 0.01 . . . . . . . 720 VAL HG2# . 50218 1 863 . 1 . 1 76 76 VAL C C 13 180.695 0.00 . . . . . . . 720 VAL CO . 50218 1 864 . 1 . 1 76 76 VAL CA C 13 64.077 0.08 . . . . . . . 720 VAL CA . 50218 1 865 . 1 . 1 76 76 VAL CB C 13 33.091 0.08 . . . . . . . 720 VAL CB . 50218 1 866 . 1 . 1 76 76 VAL CG1 C 13 21.769 0.08 . . . . . . . 720 VAL CG1 . 50218 1 867 . 1 . 1 76 76 VAL CG2 C 13 20.915 0.08 . . . . . . . 720 VAL CG2 . 50218 1 868 . 1 . 1 76 76 VAL N N 15 127.107 0.01 . . . . . . . 720 VAL N . 50218 1 stop_ save_