data_34709 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34709 _Entry.Title ; Solution structure of homodimeric Capsid protein (residues 17-95) of Tick-borne encephalitis virus (d16-TBEVC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-14 _Entry.Accession_date 2022-02-14 _Entry.Last_release_date 2022-03-03 _Entry.Original_release_date 2022-03-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Novotny R. . . . 34709 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Capsid protein' . 34709 Homodimer . 34709 'Tick-borne encephalitis virus' . 34709 'VIRAL PROTEIN' . 34709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34709 spectral_peak_list 1 34709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 34709 '15N chemical shifts' 58 34709 '1H chemical shifts' 394 34709 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 . . 2024-02-12 2022-02-14 update BMRB 'update entry citation' 34709 1 . . 2022-10-14 2022-02-14 original author 'original release' 34709 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7YWQ 'BMRB Entry Tracking System' 34709 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34709 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36223838 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Tick-borne encephalitis virus capsid protein induces translational shutoff as revealed by its structural-biological analysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 298 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0353 _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 102585 _Citation.Page_last 102585 _Citation.Year 2022 _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 Martin Selinger M. . . . 34709 1 2 Radim Novotny R. . . . 34709 1 3 Jakub Sys J. . . . 34709 1 4 Justin Roby J. A. . . 34709 1 5 Hana Tykalova H. . . . 34709 1 6 'Ganji Sri' Ranjani G. S. . . 34709 1 7 Marie Vancova M. . . . 34709 1 8 Katerina Jaklova K. . . . 34709 1 9 Filip Kaufman F. . . . 34709 1 10 Marshall Bloom M. E. . . 34709 1 11 Zbynek Zdrahal Z. . . . 34709 1 12 Libor Grubhoffer L. . . . 34709 1 13 Jade Forwood J. K. . . 34709 1 14 Richard Hrabal R. . . . 34709 1 15 Michaela Rumlova M. . . . 34709 1 16 Jan Sterba J. . . . 34709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34709 _Assembly.ID 1 _Assembly.Name 'Genome polyprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34709 1 2 unit_2 1 $entity_1 B B yes . . . . . . 34709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34709 _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 A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VSKETATKTRQPRVQMPNGL VLMRMMGILWHAVAGTARNP VLKAFWNSVPLKQATAALRK IKRTVSALMVGLQKRGKRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8869.752 _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 17 VAL . 34709 1 2 18 SER . 34709 1 3 19 LYS . 34709 1 4 20 GLU . 34709 1 5 21 THR . 34709 1 6 22 ALA . 34709 1 7 23 THR . 34709 1 8 24 LYS . 34709 1 9 25 THR . 34709 1 10 26 ARG . 34709 1 11 27 GLN . 34709 1 12 28 PRO . 34709 1 13 29 ARG . 34709 1 14 30 VAL . 34709 1 15 31 GLN . 34709 1 16 32 MET . 34709 1 17 33 PRO . 34709 1 18 34 ASN . 34709 1 19 35 GLY . 34709 1 20 36 LEU . 34709 1 21 37 VAL . 34709 1 22 38 LEU . 34709 1 23 39 MET . 34709 1 24 40 ARG . 34709 1 25 41 MET . 34709 1 26 42 MET . 34709 1 27 43 GLY . 34709 1 28 44 ILE . 34709 1 29 45 LEU . 34709 1 30 46 TRP . 34709 1 31 47 HIS . 34709 1 32 48 ALA . 34709 1 33 49 VAL . 34709 1 34 50 ALA . 34709 1 35 51 GLY . 34709 1 36 52 THR . 34709 1 37 53 ALA . 34709 1 38 54 ARG . 34709 1 39 55 ASN . 34709 1 40 56 PRO . 34709 1 41 57 VAL . 34709 1 42 58 LEU . 34709 1 43 59 LYS . 34709 1 44 60 ALA . 34709 1 45 61 PHE . 34709 1 46 62 TRP . 34709 1 47 63 ASN . 34709 1 48 64 SER . 34709 1 49 65 VAL . 34709 1 50 66 PRO . 34709 1 51 67 LEU . 34709 1 52 68 LYS . 34709 1 53 69 GLN . 34709 1 54 70 ALA . 34709 1 55 71 THR . 34709 1 56 72 ALA . 34709 1 57 73 ALA . 34709 1 58 74 LEU . 34709 1 59 75 ARG . 34709 1 60 76 LYS . 34709 1 61 77 ILE . 34709 1 62 78 LYS . 34709 1 63 79 ARG . 34709 1 64 80 THR . 34709 1 65 81 VAL . 34709 1 66 82 SER . 34709 1 67 83 ALA . 34709 1 68 84 LEU . 34709 1 69 85 MET . 34709 1 70 86 VAL . 34709 1 71 87 GLY . 34709 1 72 88 LEU . 34709 1 73 89 GLN . 34709 1 74 90 LYS . 34709 1 75 91 ARG . 34709 1 76 92 GLY . 34709 1 77 93 LYS . 34709 1 78 94 ARG . 34709 1 79 95 ARG . 34709 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 . VAL 1 1 34709 1 . SER 2 2 34709 1 . LYS 3 3 34709 1 . GLU 4 4 34709 1 . THR 5 5 34709 1 . ALA 6 6 34709 1 . THR 7 7 34709 1 . LYS 8 8 34709 1 . THR 9 9 34709 1 . ARG 10 10 34709 1 . GLN 11 11 34709 1 . PRO 12 12 34709 1 . ARG 13 13 34709 1 . VAL 14 14 34709 1 . GLN 15 15 34709 1 . MET 16 16 34709 1 . PRO 17 17 34709 1 . ASN 18 18 34709 1 . GLY 19 19 34709 1 . LEU 20 20 34709 1 . VAL 21 21 34709 1 . LEU 22 22 34709 1 . MET 23 23 34709 1 . ARG 24 24 34709 1 . MET 25 25 34709 1 . MET 26 26 34709 1 . GLY 27 27 34709 1 . ILE 28 28 34709 1 . LEU 29 29 34709 1 . TRP 30 30 34709 1 . HIS 31 31 34709 1 . ALA 32 32 34709 1 . VAL 33 33 34709 1 . ALA 34 34 34709 1 . GLY 35 35 34709 1 . THR 36 36 34709 1 . ALA 37 37 34709 1 . ARG 38 38 34709 1 . ASN 39 39 34709 1 . PRO 40 40 34709 1 . VAL 41 41 34709 1 . LEU 42 42 34709 1 . LYS 43 43 34709 1 . ALA 44 44 34709 1 . PHE 45 45 34709 1 . TRP 46 46 34709 1 . ASN 47 47 34709 1 . SER 48 48 34709 1 . VAL 49 49 34709 1 . PRO 50 50 34709 1 . LEU 51 51 34709 1 . LYS 52 52 34709 1 . GLN 53 53 34709 1 . ALA 54 54 34709 1 . THR 55 55 34709 1 . ALA 56 56 34709 1 . ALA 57 57 34709 1 . LEU 58 58 34709 1 . ARG 59 59 34709 1 . LYS 60 60 34709 1 . ILE 61 61 34709 1 . LYS 62 62 34709 1 . ARG 63 63 34709 1 . THR 64 64 34709 1 . VAL 65 65 34709 1 . SER 66 66 34709 1 . ALA 67 67 34709 1 . LEU 68 68 34709 1 . MET 69 69 34709 1 . VAL 70 70 34709 1 . GLY 71 71 34709 1 . LEU 72 72 34709 1 . GLN 73 73 34709 1 . LYS 74 74 34709 1 . ARG 75 75 34709 1 . GLY 76 76 34709 1 . LYS 77 77 34709 1 . ARG 78 78 34709 1 . ARG 79 79 34709 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34709 _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 . 11084 organism . 'Tick-borne encephalitis virus' 'Tick-borne encephalitis virus' . . Viruses . Flavivirus 'Tick-borne encephalitis virus' Neudoerfl . . . . . . . . . . . . 34709 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34709 _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 BL21(DE3)' . . 469008 . . . RIL . Plasmid . . pET22B . . . 34709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34709 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-99% 13C; U-99% 15N] d16-TBEVC, 50 mM NaCl, 50 mM sodium phosphate, 5 % glycerol, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 d16-TBEVC '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34709 1 2 NaCl none . . . . . . 50 . . mM . . . . 34709 1 3 'sodium phosphate' none . . . . . . 50 . . mM . . . . 34709 1 4 glycerol none . . . . . . 5 . . % . . . . 34709 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 34709 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 34709 1 pH 6.0 . pH 34709 1 pressure 1 . atm 34709 1 temperature 298 . K 34709 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34709 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34709 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34709 1 processing . 34709 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34709 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34709 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34709 2 'data analysis' . 34709 2 'peak picking' . 34709 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34709 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34709 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34709 3 'structure calculation' . 34709 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34709 _Software.ID 4 _Software.Type . _Software.Name HADDOCK _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bonvin . . 34709 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34709 4 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 34709 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34709 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 34709 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34709 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 4 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34709 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 34709 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34709 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34709 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34709 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 34709 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 1 '2D 1H-15N HSQC' . . . 34709 1 2 '2D 1H-13C HSQC' . . . 34709 1 3 '3D HNCO' . . . 34709 1 4 '3D HCACO' . . . 34709 1 5 '3D HNCA' . . . 34709 1 6 '3D HNCACB' . . . 34709 1 7 '3D CBCA(CO)NH' . . . 34709 1 8 '3D HCCH-TOCSY' . . . 34709 1 9 '3D 1H-15N NOESY' . . . 34709 1 10 '3D 1H-13C NOESY' . . . 34709 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 VAL HA H 1 4.160 0.012 . 1 . . . . A 17 VAL HA . 34709 1 2 . 1 . 1 1 1 VAL HG11 H 1 0.780 . . 1 . . . . A 17 VAL HG11 . 34709 1 3 . 1 . 1 1 1 VAL HG12 H 1 0.780 . . 1 . . . . A 17 VAL HG12 . 34709 1 4 . 1 . 1 1 1 VAL HG13 H 1 0.780 . . 1 . . . . A 17 VAL HG13 . 34709 1 5 . 1 . 1 1 1 VAL CA C 13 62.390 . . 1 . . . . A 17 VAL CA . 34709 1 6 . 1 . 1 1 1 VAL CB C 13 32.693 . . 1 . . . . A 17 VAL CB . 34709 1 7 . 1 . 1 2 2 SER H H 1 8.480 0.001 . 1 . . . . A 18 SER H . 34709 1 8 . 1 . 1 2 2 SER HA H 1 4.572 0.044 . 1 . . . . A 18 SER HA . 34709 1 9 . 1 . 1 2 2 SER CA C 13 58.300 0.07 . 1 . . . . A 18 SER CA . 34709 1 10 . 1 . 1 2 2 SER CB C 13 64.062 0.058 . 1 . . . . A 18 SER CB . 34709 1 11 . 1 . 1 2 2 SER N N 15 120.413 0.021 . 1 . . . . A 18 SER N . 34709 1 12 . 1 . 1 3 3 LYS H H 1 8.574 0.001 . 1 . . . . A 19 LYS H . 34709 1 13 . 1 . 1 3 3 LYS HA H 1 4.361 0.006 . 1 . . . . A 19 LYS HA . 34709 1 14 . 1 . 1 3 3 LYS HB2 H 1 1.837 0.002 . 2 . . . . A 19 LYS HB2 . 34709 1 15 . 1 . 1 3 3 LYS HB3 H 1 1.749 0.006 . 2 . . . . A 19 LYS HB3 . 34709 1 16 . 1 . 1 3 3 LYS HG2 H 1 1.422 0.011 . 1 . . . . A 19 LYS HG2 . 34709 1 17 . 1 . 1 3 3 LYS HD2 H 1 1.663 0.006 . 2 . . . . A 19 LYS HD2 . 34709 1 18 . 1 . 1 3 3 LYS HD3 H 1 1.410 0.0 . 2 . . . . A 19 LYS HD3 . 34709 1 19 . 1 . 1 3 3 LYS HE2 H 1 2.961 0.016 . 1 . . . . A 19 LYS HE2 . 34709 1 20 . 1 . 1 3 3 LYS C C 13 178.840 . . 1 . . . . A 19 LYS C . 34709 1 21 . 1 . 1 3 3 LYS CA C 13 56.475 0.131 . 1 . . . . A 19 LYS CA . 34709 1 22 . 1 . 1 3 3 LYS CB C 13 33.004 0.06 . 1 . . . . A 19 LYS CB . 34709 1 23 . 1 . 1 3 3 LYS CG C 13 24.795 0.045 . 1 . . . . A 19 LYS CG . 34709 1 24 . 1 . 1 3 3 LYS CD C 13 29.076 0.062 . 1 . . . . A 19 LYS CD . 34709 1 25 . 1 . 1 3 3 LYS CE C 13 42.161 0.03 . 1 . . . . A 19 LYS CE . 34709 1 26 . 1 . 1 3 3 LYS N N 15 124.022 0.0 . 1 . . . . A 19 LYS N . 34709 1 27 . 1 . 1 4 4 GLU H H 1 8.430 0.006 . 1 . . . . A 20 GLU H . 34709 1 28 . 1 . 1 4 4 GLU HB2 H 1 2.073 . . 1 . . . . A 20 GLU HB2 . 34709 1 29 . 1 . 1 4 4 GLU HG2 H 1 2.462 0.039 . 1 . . . . A 20 GLU HG2 . 34709 1 30 . 1 . 1 4 4 GLU C C 13 179.194 . . 1 . . . . A 20 GLU C . 34709 1 31 . 1 . 1 4 4 GLU CA C 13 56.779 0.1 . 1 . . . . A 20 GLU CA . 34709 1 32 . 1 . 1 4 4 GLU CB C 13 30.149 0.091 . 1 . . . . A 20 GLU CB . 34709 1 33 . 1 . 1 4 4 GLU N N 15 123.414 0.015 . 1 . . . . A 20 GLU N . 34709 1 34 . 1 . 1 5 5 THR H H 1 8.148 0.008 . 1 . . . . A 21 THR H . 34709 1 35 . 1 . 1 5 5 THR HA H 1 4.042 . . 1 . . . . A 21 THR HA . 34709 1 36 . 1 . 1 5 5 THR HB H 1 4.219 0.026 . 1 . . . . A 21 THR HB . 34709 1 37 . 1 . 1 5 5 THR HG1 H 1 0.963 . . 1 . . . . A 21 THR HG1 . 34709 1 38 . 1 . 1 5 5 THR HG21 H 1 1.188 0.002 . 1 . . . . A 21 THR HG21 . 34709 1 39 . 1 . 1 5 5 THR HG22 H 1 1.188 0.002 . 1 . . . . A 21 THR HG22 . 34709 1 40 . 1 . 1 5 5 THR HG23 H 1 1.188 0.002 . 1 . . . . A 21 THR HG23 . 34709 1 41 . 1 . 1 5 5 THR C C 13 175.282 . . 1 . . . . A 21 THR C . 34709 1 42 . 1 . 1 5 5 THR CA C 13 62.139 0.051 . 1 . . . . A 21 THR CA . 34709 1 43 . 1 . 1 5 5 THR CB C 13 69.785 0.023 . 1 . . . . A 21 THR CB . 34709 1 44 . 1 . 1 5 5 THR CG2 C 13 21.677 0.079 . 1 . . . . A 21 THR CG2 . 34709 1 45 . 1 . 1 5 5 THR N N 15 115.463 0.0 . 1 . . . . A 21 THR N . 34709 1 46 . 1 . 1 6 6 ALA H H 1 8.304 0.002 . 1 . . . . A 22 ALA H . 34709 1 47 . 1 . 1 6 6 ALA HA H 1 4.358 0.013 . 1 . . . . A 22 ALA HA . 34709 1 48 . 1 . 1 6 6 ALA HB1 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB1 . 34709 1 49 . 1 . 1 6 6 ALA HB2 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB2 . 34709 1 50 . 1 . 1 6 6 ALA HB3 H 1 1.796 0.023 . 1 . . . . A 22 ALA HB3 . 34709 1 51 . 1 . 1 6 6 ALA CA C 13 52.751 0.064 . 1 . . . . A 22 ALA CA . 34709 1 52 . 1 . 1 6 6 ALA CB C 13 19.248 0.05 . 1 . . . . A 22 ALA CB . 34709 1 53 . 1 . 1 6 6 ALA N N 15 126.550 0.0 . 1 . . . . A 22 ALA N . 34709 1 54 . 1 . 1 7 7 THR H H 1 8.087 0.001 . 1 . . . . A 23 THR H . 34709 1 55 . 1 . 1 7 7 THR HB H 1 4.264 . . 1 . . . . A 23 THR HB . 34709 1 56 . 1 . 1 7 7 THR HG21 H 1 1.217 0.02 . 1 . . . . A 23 THR HG21 . 34709 1 57 . 1 . 1 7 7 THR HG22 H 1 1.217 0.02 . 1 . . . . A 23 THR HG22 . 34709 1 58 . 1 . 1 7 7 THR HG23 H 1 1.217 0.02 . 1 . . . . A 23 THR HG23 . 34709 1 59 . 1 . 1 7 7 THR CA C 13 62.209 0.041 . 1 . . . . A 23 THR CA . 34709 1 60 . 1 . 1 7 7 THR CB C 13 69.832 0.058 . 1 . . . . A 23 THR CB . 34709 1 61 . 1 . 1 7 7 THR N N 15 113.655 0.0 . 1 . . . . A 23 THR N . 34709 1 62 . 1 . 1 8 8 LYS H H 1 8.288 0.002 . 1 . . . . A 24 LYS H . 34709 1 63 . 1 . 1 8 8 LYS HB2 H 1 1.997 0.012 . 1 . . . . A 24 LYS HB2 . 34709 1 64 . 1 . 1 8 8 LYS HG2 H 1 1.405 0.028 . 1 . . . . A 24 LYS HG2 . 34709 1 65 . 1 . 1 8 8 LYS HE2 H 1 2.864 0.004 . 1 . . . . A 24 LYS HE2 . 34709 1 66 . 1 . 1 8 8 LYS HZ1 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ1 . 34709 1 67 . 1 . 1 8 8 LYS HZ2 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ2 . 34709 1 68 . 1 . 1 8 8 LYS HZ3 H 1 7.487 0.027 . 1 . . . . A 24 LYS HZ3 . 34709 1 69 . 1 . 1 8 8 LYS CA C 13 56.552 0.018 . 1 . . . . A 24 LYS CA . 34709 1 70 . 1 . 1 8 8 LYS CB C 13 32.922 0.008 . 1 . . . . A 24 LYS CB . 34709 1 71 . 1 . 1 8 8 LYS N N 15 123.795 0.008 . 1 . . . . A 24 LYS N . 34709 1 72 . 1 . 1 9 9 THR H H 1 8.099 0.004 . 1 . . . . A 25 THR H . 34709 1 73 . 1 . 1 9 9 THR HA H 1 4.274 0.007 . 1 . . . . A 25 THR HA . 34709 1 74 . 1 . 1 9 9 THR HB H 1 4.162 0.006 . 1 . . . . A 25 THR HB . 34709 1 75 . 1 . 1 9 9 THR HG1 H 1 1.178 0.005 . 1 . . . . A 25 THR HG1 . 34709 1 76 . 1 . 1 9 9 THR HG21 H 1 1.192 . . 1 . . . . A 25 THR HG21 . 34709 1 77 . 1 . 1 9 9 THR HG22 H 1 1.192 . . 1 . . . . A 25 THR HG22 . 34709 1 78 . 1 . 1 9 9 THR HG23 H 1 1.192 . . 1 . . . . A 25 THR HG23 . 34709 1 79 . 1 . 1 9 9 THR CA C 13 62.118 0.04 . 1 . . . . A 25 THR CA . 34709 1 80 . 1 . 1 9 9 THR CB C 13 69.849 0.023 . 1 . . . . A 25 THR CB . 34709 1 81 . 1 . 1 9 9 THR CG2 C 13 21.610 0.045 . 1 . . . . A 25 THR CG2 . 34709 1 82 . 1 . 1 9 9 THR N N 15 115.610 0.0 . 1 . . . . A 25 THR N . 34709 1 83 . 1 . 1 10 10 ARG H H 1 8.349 0.004 . 1 . . . . A 26 ARG H . 34709 1 84 . 1 . 1 10 10 ARG HA H 1 3.521 . . 1 . . . . A 26 ARG HA . 34709 1 85 . 1 . 1 10 10 ARG HB2 H 1 2.091 . . 2 . . . . A 26 ARG HB2 . 34709 1 86 . 1 . 1 10 10 ARG HB3 H 1 1.893 . . 2 . . . . A 26 ARG HB3 . 34709 1 87 . 1 . 1 10 10 ARG HG2 H 1 1.774 0.026 . 1 . . . . A 26 ARG HG2 . 34709 1 88 . 1 . 1 10 10 ARG HD2 H 1 3.329 0.02 . 1 . . . . A 26 ARG HD2 . 34709 1 89 . 1 . 1 10 10 ARG HE H 1 7.820 0.002 . 1 . . . . A 26 ARG HE . 34709 1 90 . 1 . 1 10 10 ARG C C 13 176.622 . . 1 . . . . A 26 ARG C . 34709 1 91 . 1 . 1 10 10 ARG CA C 13 56.174 0.115 . 1 . . . . A 26 ARG CA . 34709 1 92 . 1 . 1 10 10 ARG CB C 13 30.701 0.013 . 1 . . . . A 26 ARG CB . 34709 1 93 . 1 . 1 10 10 ARG N N 15 123.902 0.0 . 1 . . . . A 26 ARG N . 34709 1 94 . 1 . 1 11 11 GLN H H 1 8.410 0.005 . 1 . . . . A 27 GLN H . 34709 1 95 . 1 . 1 11 11 GLN HA H 1 4.548 . . 1 . . . . A 27 GLN HA . 34709 1 96 . 1 . 1 11 11 GLN HB2 H 1 2.054 0.012 . 2 . . . . A 27 GLN HB2 . 34709 1 97 . 1 . 1 11 11 GLN HB3 H 1 1.903 0.01 . 2 . . . . A 27 GLN HB3 . 34709 1 98 . 1 . 1 11 11 GLN HG2 H 1 2.350 0.011 . 2 . . . . A 27 GLN HG2 . 34709 1 99 . 1 . 1 11 11 GLN HG3 H 1 2.441 . . 2 . . . . A 27 GLN HG3 . 34709 1 100 . 1 . 1 11 11 GLN C C 13 175.340 . . 1 . . . . A 27 GLN C . 34709 1 101 . 1 . 1 11 11 GLN CA C 13 53.577 0.022 . 1 . . . . A 27 GLN CA . 34709 1 102 . 1 . 1 11 11 GLN CB C 13 28.973 0.053 . 1 . . . . A 27 GLN CB . 34709 1 103 . 1 . 1 11 11 GLN CG C 13 33.516 0.036 . 1 . . . . A 27 GLN CG . 34709 1 104 . 1 . 1 11 11 GLN N N 15 123.101 0.177 . 1 . . . . A 27 GLN N . 34709 1 105 . 1 . 1 12 12 PRO HA H 1 4.397 0.013 . 1 . . . . A 28 PRO HA . 34709 1 106 . 1 . 1 12 12 PRO HB2 H 1 2.270 0.006 . 1 . . . . A 28 PRO HB2 . 34709 1 107 . 1 . 1 12 12 PRO HG2 H 1 1.981 0.003 . 2 . . . . A 28 PRO HG2 . 34709 1 108 . 1 . 1 12 12 PRO HG3 H 1 1.869 0.005 . 2 . . . . A 28 PRO HG3 . 34709 1 109 . 1 . 1 12 12 PRO HD2 H 1 3.761 0.004 . 2 . . . . A 28 PRO HD2 . 34709 1 110 . 1 . 1 12 12 PRO HD3 H 1 3.569 0.029 . 2 . . . . A 28 PRO HD3 . 34709 1 111 . 1 . 1 12 12 PRO C C 13 176.769 . . 1 . . . . A 28 PRO C . 34709 1 112 . 1 . 1 12 12 PRO CA C 13 63.069 0.013 . 1 . . . . A 28 PRO CA . 34709 1 113 . 1 . 1 12 12 PRO CB C 13 32.160 0.01 . 1 . . . . A 28 PRO CB . 34709 1 114 . 1 . 1 12 12 PRO CG C 13 27.357 0.001 . 1 . . . . A 28 PRO CG . 34709 1 115 . 1 . 1 12 12 PRO CD C 13 50.769 0.001 . 1 . . . . A 28 PRO CD . 34709 1 116 . 1 . 1 13 13 ARG H H 1 8.427 0.01 . 1 . . . . A 29 ARG H . 34709 1 117 . 1 . 1 13 13 ARG HA H 1 4.326 0.006 . 1 . . . . A 29 ARG HA . 34709 1 118 . 1 . 1 13 13 ARG HB2 H 1 1.759 0.028 . 1 . . . . A 29 ARG HB2 . 34709 1 119 . 1 . 1 13 13 ARG HG2 H 1 1.622 0.013 . 1 . . . . A 29 ARG HG2 . 34709 1 120 . 1 . 1 13 13 ARG HD2 H 1 3.175 0.011 . 1 . . . . A 29 ARG HD2 . 34709 1 121 . 1 . 1 13 13 ARG HE H 1 6.935 0.024 . 1 . . . . A 29 ARG HE . 34709 1 122 . 1 . 1 13 13 ARG C C 13 176.232 0.005 . 1 . . . . A 29 ARG C . 34709 1 123 . 1 . 1 13 13 ARG CA C 13 56.047 0.017 . 1 . . . . A 29 ARG CA . 34709 1 124 . 1 . 1 13 13 ARG CB C 13 30.794 0.033 . 1 . . . . A 29 ARG CB . 34709 1 125 . 1 . 1 13 13 ARG CG C 13 27.039 0.026 . 1 . . . . A 29 ARG CG . 34709 1 126 . 1 . 1 13 13 ARG CD C 13 43.403 0.006 . 1 . . . . A 29 ARG CD . 34709 1 127 . 1 . 1 13 13 ARG N N 15 121.755 0.044 . 1 . . . . A 29 ARG N . 34709 1 128 . 1 . 1 14 14 VAL H H 1 8.168 0.007 . 1 . . . . A 30 VAL H . 34709 1 129 . 1 . 1 14 14 VAL HA H 1 4.182 0.005 . 1 . . . . A 30 VAL HA . 34709 1 130 . 1 . 1 14 14 VAL HB H 1 2.016 0.01 . 1 . . . . A 30 VAL HB . 34709 1 131 . 1 . 1 14 14 VAL HG11 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG11 . 34709 1 132 . 1 . 1 14 14 VAL HG12 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG12 . 34709 1 133 . 1 . 1 14 14 VAL HG13 H 1 0.905 0.003 . 2 . . . . A 30 VAL HG13 . 34709 1 134 . 1 . 1 14 14 VAL HG21 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG21 . 34709 1 135 . 1 . 1 14 14 VAL HG22 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG22 . 34709 1 136 . 1 . 1 14 14 VAL HG23 H 1 0.938 0.007 . 2 . . . . A 30 VAL HG23 . 34709 1 137 . 1 . 1 14 14 VAL C C 13 175.586 . . 1 . . . . A 30 VAL C . 34709 1 138 . 1 . 1 14 14 VAL CB C 13 32.997 0.019 . 1 . . . . A 30 VAL CB . 34709 1 139 . 1 . 1 14 14 VAL CG1 C 13 20.871 0.008 . 2 . . . . A 30 VAL CG1 . 34709 1 140 . 1 . 1 14 14 VAL CG2 C 13 20.829 0.021 . 2 . . . . A 30 VAL CG2 . 34709 1 141 . 1 . 1 14 14 VAL N N 15 122.030 . . 1 . . . . A 30 VAL N . 34709 1 142 . 1 . 1 15 15 GLN H H 1 8.435 0.006 . 1 . . . . A 31 GLN H . 34709 1 143 . 1 . 1 15 15 GLN HA H 1 4.570 . . 1 . . . . A 31 GLN HA . 34709 1 144 . 1 . 1 15 15 GLN HB2 H 1 2.019 0.007 . 2 . . . . A 31 GLN HB2 . 34709 1 145 . 1 . 1 15 15 GLN HB3 H 1 2.272 . . 2 . . . . A 31 GLN HB3 . 34709 1 146 . 1 . 1 15 15 GLN HG2 H 1 2.316 0.018 . 1 . . . . A 31 GLN HG2 . 34709 1 147 . 1 . 1 15 15 GLN HE21 H 1 7.470 0.032 . 1 . . . . A 31 GLN HE21 . 34709 1 148 . 1 . 1 15 15 GLN HE22 H 1 6.580 . . 1 . . . . A 31 GLN HE22 . 34709 1 149 . 1 . 1 15 15 GLN C C 13 175.490 0.198 . 1 . . . . A 31 GLN C . 34709 1 150 . 1 . 1 15 15 GLN CA C 13 55.600 0.034 . 1 . . . . A 31 GLN CA . 34709 1 151 . 1 . 1 15 15 GLN CB C 13 29.711 0.019 . 1 . . . . A 31 GLN CB . 34709 1 152 . 1 . 1 15 15 GLN CG C 13 33.790 0.06 . 1 . . . . A 31 GLN CG . 34709 1 153 . 1 . 1 15 15 GLN N N 15 124.566 0.014 . 1 . . . . A 31 GLN N . 34709 1 154 . 1 . 1 16 16 MET H H 1 8.999 0.005 . 1 . . . . A 32 MET H . 34709 1 155 . 1 . 1 16 16 MET HA H 1 4.129 0.013 . 1 . . . . A 32 MET HA . 34709 1 156 . 1 . 1 16 16 MET HB2 H 1 2.126 0.0 . 1 . . . . A 32 MET HB2 . 34709 1 157 . 1 . 1 16 16 MET HG2 H 1 2.567 0.023 . 1 . . . . A 32 MET HG2 . 34709 1 158 . 1 . 1 16 16 MET C C 13 173.935 . . 1 . . . . A 32 MET C . 34709 1 159 . 1 . 1 16 16 MET CA C 13 55.070 0.366 . 1 . . . . A 32 MET CA . 34709 1 160 . 1 . 1 16 16 MET CB C 13 33.299 0.209 . 1 . . . . A 32 MET CB . 34709 1 161 . 1 . 1 16 16 MET CG C 13 30.829 0.014 . 1 . . . . A 32 MET CG . 34709 1 162 . 1 . 1 16 16 MET CE C 13 18.245 . . 1 . . . . A 32 MET CE . 34709 1 163 . 1 . 1 16 16 MET N N 15 124.169 0.002 . 1 . . . . A 32 MET N . 34709 1 164 . 1 . 1 17 17 PRO HA H 1 4.325 0.009 . 1 . . . . A 33 PRO HA . 34709 1 165 . 1 . 1 17 17 PRO HB2 H 1 2.135 . . 1 . . . . A 33 PRO HB2 . 34709 1 166 . 1 . 1 17 17 PRO HG2 H 1 1.917 0.021 . 1 . . . . A 33 PRO HG2 . 34709 1 167 . 1 . 1 17 17 PRO HD2 H 1 3.954 0.015 . 2 . . . . A 33 PRO HD2 . 34709 1 168 . 1 . 1 17 17 PRO HD3 H 1 3.605 0.046 . 2 . . . . A 33 PRO HD3 . 34709 1 169 . 1 . 1 18 18 ASN H H 1 8.842 . . 1 . . . . A 34 ASN H . 34709 1 170 . 1 . 1 18 18 ASN HA H 1 4.446 0.029 . 1 . . . . A 34 ASN HA . 34709 1 171 . 1 . 1 18 18 ASN HB2 H 1 2.803 0.016 . 1 . . . . A 34 ASN HB2 . 34709 1 172 . 1 . 1 18 18 ASN C C 13 178.015 . . 1 . . . . A 34 ASN C . 34709 1 173 . 1 . 1 18 18 ASN CA C 13 56.312 0.071 . 1 . . . . A 34 ASN CA . 34709 1 174 . 1 . 1 18 18 ASN CB C 13 38.296 0.044 . 1 . . . . A 34 ASN CB . 34709 1 175 . 1 . 1 19 19 GLY H H 1 9.021 0.005 . 1 . . . . A 35 GLY H . 34709 1 176 . 1 . 1 19 19 GLY HA2 H 1 3.771 0.0 . 1 . . . . A 35 GLY HA2 . 34709 1 177 . 1 . 1 19 19 GLY C C 13 175.716 0.0 . 1 . . . . A 35 GLY C . 34709 1 178 . 1 . 1 19 19 GLY CA C 13 47.180 . . 1 . . . . A 35 GLY CA . 34709 1 179 . 1 . 1 19 19 GLY N N 15 108.411 0.0 . 1 . . . . A 35 GLY N . 34709 1 180 . 1 . 1 20 20 LEU H H 1 7.117 0.01 . 1 . . . . A 36 LEU H . 34709 1 181 . 1 . 1 20 20 LEU HA H 1 3.908 . . 1 . . . . A 36 LEU HA . 34709 1 182 . 1 . 1 20 20 LEU HB2 H 1 1.676 0.037 . 2 . . . . A 36 LEU HB2 . 34709 1 183 . 1 . 1 20 20 LEU HB3 H 1 1.571 . . 2 . . . . A 36 LEU HB3 . 34709 1 184 . 1 . 1 20 20 LEU HG H 1 1.924 0.008 . 1 . . . . A 36 LEU HG . 34709 1 185 . 1 . 1 20 20 LEU HD11 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD11 . 34709 1 186 . 1 . 1 20 20 LEU HD12 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD12 . 34709 1 187 . 1 . 1 20 20 LEU HD13 H 1 -0.039 0.014 . 2 . . . . A 36 LEU HD13 . 34709 1 188 . 1 . 1 20 20 LEU HD21 H 1 0.484 . . 2 . . . . A 36 LEU HD21 . 34709 1 189 . 1 . 1 20 20 LEU HD22 H 1 0.484 . . 2 . . . . A 36 LEU HD22 . 34709 1 190 . 1 . 1 20 20 LEU HD23 H 1 0.484 . . 2 . . . . A 36 LEU HD23 . 34709 1 191 . 1 . 1 20 20 LEU C C 13 178.419 0.0 . 1 . . . . A 36 LEU C . 34709 1 192 . 1 . 1 20 20 LEU CA C 13 57.407 0.056 . 1 . . . . A 36 LEU CA . 34709 1 193 . 1 . 1 20 20 LEU CB C 13 42.194 0.044 . 1 . . . . A 36 LEU CB . 34709 1 194 . 1 . 1 20 20 LEU CG C 13 27.216 . . 1 . . . . A 36 LEU CG . 34709 1 195 . 1 . 1 20 20 LEU CD1 C 13 23.216 0.017 . 2 . . . . A 36 LEU CD1 . 34709 1 196 . 1 . 1 20 20 LEU CD2 C 13 25.214 . . 2 . . . . A 36 LEU CD2 . 34709 1 197 . 1 . 1 20 20 LEU N N 15 122.796 0.0 . 1 . . . . A 36 LEU N . 34709 1 198 . 1 . 1 21 21 VAL H H 1 7.745 0.004 . 1 . . . . A 37 VAL H . 34709 1 199 . 1 . 1 21 21 VAL HA H 1 4.227 0.011 . 1 . . . . A 37 VAL HA . 34709 1 200 . 1 . 1 21 21 VAL HB H 1 2.239 0.016 . 1 . . . . A 37 VAL HB . 34709 1 201 . 1 . 1 21 21 VAL HG11 H 1 1.055 . . 2 . . . . A 37 VAL HG11 . 34709 1 202 . 1 . 1 21 21 VAL HG12 H 1 1.055 . . 2 . . . . A 37 VAL HG12 . 34709 1 203 . 1 . 1 21 21 VAL HG13 H 1 1.055 . . 2 . . . . A 37 VAL HG13 . 34709 1 204 . 1 . 1 21 21 VAL HG21 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG21 . 34709 1 205 . 1 . 1 21 21 VAL HG22 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG22 . 34709 1 206 . 1 . 1 21 21 VAL HG23 H 1 0.901 0.0 . 2 . . . . A 37 VAL HG23 . 34709 1 207 . 1 . 1 21 21 VAL C C 13 177.764 0.008 . 1 . . . . A 37 VAL C . 34709 1 208 . 1 . 1 21 21 VAL CA C 13 66.832 0.018 . 1 . . . . A 37 VAL CA . 34709 1 209 . 1 . 1 21 21 VAL CB C 13 31.023 0.019 . 1 . . . . A 37 VAL CB . 34709 1 210 . 1 . 1 21 21 VAL N N 15 118.657 0.0 . 1 . . . . A 37 VAL N . 34709 1 211 . 1 . 1 22 22 LEU H H 1 7.964 0.006 . 1 . . . . A 38 LEU H . 34709 1 212 . 1 . 1 22 22 LEU HA H 1 3.972 0.008 . 1 . . . . A 38 LEU HA . 34709 1 213 . 1 . 1 22 22 LEU HB2 H 1 1.978 0.002 . 1 . . . . A 38 LEU HB2 . 34709 1 214 . 1 . 1 22 22 LEU HG H 1 1.713 . . 1 . . . . A 38 LEU HG . 34709 1 215 . 1 . 1 22 22 LEU HD11 H 1 0.850 . . 1 . . . . A 38 LEU HD11 . 34709 1 216 . 1 . 1 22 22 LEU HD12 H 1 0.850 . . 1 . . . . A 38 LEU HD12 . 34709 1 217 . 1 . 1 22 22 LEU HD13 H 1 0.850 . . 1 . . . . A 38 LEU HD13 . 34709 1 218 . 1 . 1 22 22 LEU C C 13 177.992 . . 1 . . . . A 38 LEU C . 34709 1 219 . 1 . 1 22 22 LEU CA C 13 58.807 . . 1 . . . . A 38 LEU CA . 34709 1 220 . 1 . 1 22 22 LEU N N 15 119.108 0.035 . 1 . . . . A 38 LEU N . 34709 1 221 . 1 . 1 23 23 MET H H 1 8.443 . . 1 . . . . A 39 MET H . 34709 1 222 . 1 . 1 23 23 MET HG2 H 1 2.677 . . 1 . . . . A 39 MET HG2 . 34709 1 223 . 1 . 1 23 23 MET C C 13 180.601 . . 1 . . . . A 39 MET C . 34709 1 224 . 1 . 1 24 24 ARG H H 1 8.531 0.005 . 1 . . . . A 40 ARG H . 34709 1 225 . 1 . 1 24 24 ARG HE H 1 7.358 . . 1 . . . . A 40 ARG HE . 34709 1 226 . 1 . 1 24 24 ARG C C 13 178.830 . . 1 . . . . A 40 ARG C . 34709 1 227 . 1 . 1 24 24 ARG CA C 13 58.714 0.034 . 1 . . . . A 40 ARG CA . 34709 1 228 . 1 . 1 24 24 ARG CB C 13 27.463 0.013 . 1 . . . . A 40 ARG CB . 34709 1 229 . 1 . 1 24 24 ARG N N 15 121.151 0.002 . 1 . . . . A 40 ARG N . 34709 1 230 . 1 . 1 25 25 MET H H 1 8.663 0.0 . 1 . . . . A 41 MET H . 34709 1 231 . 1 . 1 25 25 MET HA H 1 3.808 . . 1 . . . . A 41 MET HA . 34709 1 232 . 1 . 1 25 25 MET HG2 H 1 1.901 0.013 . 1 . . . . A 41 MET HG2 . 34709 1 233 . 1 . 1 25 25 MET C C 13 179.149 0.017 . 1 . . . . A 41 MET C . 34709 1 234 . 1 . 1 25 25 MET CA C 13 56.848 0.056 . 1 . . . . A 41 MET CA . 34709 1 235 . 1 . 1 25 25 MET CB C 13 30.148 0.069 . 1 . . . . A 41 MET CB . 34709 1 236 . 1 . 1 25 25 MET N N 15 118.875 0.0 . 1 . . . . A 41 MET N . 34709 1 237 . 1 . 1 26 26 MET H H 1 8.133 0.005 . 1 . . . . A 42 MET H . 34709 1 238 . 1 . 1 26 26 MET HA H 1 4.155 . . 1 . . . . A 42 MET HA . 34709 1 239 . 1 . 1 26 26 MET HB2 H 1 1.535 0.01 . 2 . . . . A 42 MET HB2 . 34709 1 240 . 1 . 1 26 26 MET HB3 H 1 2.099 . . 2 . . . . A 42 MET HB3 . 34709 1 241 . 1 . 1 26 26 MET HG2 H 1 2.397 0.017 . 1 . . . . A 42 MET HG2 . 34709 1 242 . 1 . 1 26 26 MET C C 13 179.060 0.007 . 1 . . . . A 42 MET C . 34709 1 243 . 1 . 1 26 26 MET CA C 13 56.261 0.017 . 1 . . . . A 42 MET CA . 34709 1 244 . 1 . 1 26 26 MET CB C 13 28.912 . . 1 . . . . A 42 MET CB . 34709 1 245 . 1 . 1 26 26 MET N N 15 119.078 0.032 . 1 . . . . A 42 MET N . 34709 1 246 . 1 . 1 27 27 GLY H H 1 7.807 0.003 . 1 . . . . A 43 GLY H . 34709 1 247 . 1 . 1 27 27 GLY HA2 H 1 3.994 . . 2 . . . . A 43 GLY HA2 . 34709 1 248 . 1 . 1 27 27 GLY HA3 H 1 3.770 0.013 . 2 . . . . A 43 GLY HA3 . 34709 1 249 . 1 . 1 27 27 GLY C C 13 176.266 . . 1 . . . . A 43 GLY C . 34709 1 250 . 1 . 1 27 27 GLY CA C 13 47.682 . . 1 . . . . A 43 GLY CA . 34709 1 251 . 1 . 1 27 27 GLY N N 15 109.379 0.0 . 1 . . . . A 43 GLY N . 34709 1 252 . 1 . 1 28 28 ILE H H 1 8.448 0.027 . 1 . . . . A 44 ILE H . 34709 1 253 . 1 . 1 28 28 ILE HA H 1 4.467 0.009 . 1 . . . . A 44 ILE HA . 34709 1 254 . 1 . 1 28 28 ILE HB H 1 2.736 0.008 . 1 . . . . A 44 ILE HB . 34709 1 255 . 1 . 1 28 28 ILE HG12 H 1 0.928 0.013 . 2 . . . . A 44 ILE HG12 . 34709 1 256 . 1 . 1 28 28 ILE HG13 H 1 1.514 . . 2 . . . . A 44 ILE HG13 . 34709 1 257 . 1 . 1 28 28 ILE HG21 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG21 . 34709 1 258 . 1 . 1 28 28 ILE HG22 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG22 . 34709 1 259 . 1 . 1 28 28 ILE HG23 H 1 0.929 0.006 . 1 . . . . A 44 ILE HG23 . 34709 1 260 . 1 . 1 28 28 ILE HD11 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD11 . 34709 1 261 . 1 . 1 28 28 ILE HD12 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD12 . 34709 1 262 . 1 . 1 28 28 ILE HD13 H 1 1.211 0.008 . 1 . . . . A 44 ILE HD13 . 34709 1 263 . 1 . 1 28 28 ILE C C 13 179.172 . . 1 . . . . A 44 ILE C . 34709 1 264 . 1 . 1 28 28 ILE CA C 13 63.435 0.119 . 1 . . . . A 44 ILE CA . 34709 1 265 . 1 . 1 28 28 ILE CB C 13 35.967 0.049 . 1 . . . . A 44 ILE CB . 34709 1 266 . 1 . 1 28 28 ILE CG1 C 13 28.579 0.007 . 1 . . . . A 44 ILE CG1 . 34709 1 267 . 1 . 1 28 28 ILE CG2 C 13 17.570 0.006 . 1 . . . . A 44 ILE CG2 . 34709 1 268 . 1 . 1 28 28 ILE CD1 C 13 11.988 0.043 . 1 . . . . A 44 ILE CD1 . 34709 1 269 . 1 . 1 29 29 LEU H H 1 8.873 0.005 . 1 . . . . A 45 LEU H . 34709 1 270 . 1 . 1 29 29 LEU HA H 1 4.048 0.019 . 1 . . . . A 45 LEU HA . 34709 1 271 . 1 . 1 29 29 LEU HB2 H 1 1.271 . . 1 . . . . A 45 LEU HB2 . 34709 1 272 . 1 . 1 29 29 LEU HD11 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD11 . 34709 1 273 . 1 . 1 29 29 LEU HD12 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD12 . 34709 1 274 . 1 . 1 29 29 LEU HD13 H 1 0.885 0.002 . 1 . . . . A 45 LEU HD13 . 34709 1 275 . 1 . 1 29 29 LEU C C 13 177.011 0.009 . 1 . . . . A 45 LEU C . 34709 1 276 . 1 . 1 29 29 LEU CA C 13 58.288 0.038 . 1 . . . . A 45 LEU CA . 34709 1 277 . 1 . 1 29 29 LEU CB C 13 41.824 0.023 . 1 . . . . A 45 LEU CB . 34709 1 278 . 1 . 1 29 29 LEU N N 15 122.469 0.0 . 1 . . . . A 45 LEU N . 34709 1 279 . 1 . 1 30 30 TRP H H 1 8.843 0.002 . 1 . . . . A 46 TRP H . 34709 1 280 . 1 . 1 30 30 TRP HA H 1 4.758 0.021 . 1 . . . . A 46 TRP HA . 34709 1 281 . 1 . 1 30 30 TRP HB2 H 1 3.423 0.01 . 2 . . . . A 46 TRP HB2 . 34709 1 282 . 1 . 1 30 30 TRP HB3 H 1 3.428 . . 2 . . . . A 46 TRP HB3 . 34709 1 283 . 1 . 1 30 30 TRP HE3 H 1 7.349 0.027 . 1 . . . . A 46 TRP HE3 . 34709 1 284 . 1 . 1 30 30 TRP C C 13 177.872 0.004 . 1 . . . . A 46 TRP C . 34709 1 285 . 1 . 1 30 30 TRP CA C 13 61.264 0.031 . 1 . . . . A 46 TRP CA . 34709 1 286 . 1 . 1 30 30 TRP CB C 13 28.333 0.072 . 1 . . . . A 46 TRP CB . 34709 1 287 . 1 . 1 30 30 TRP N N 15 120.024 0.0 . 1 . . . . A 46 TRP N . 34709 1 288 . 1 . 1 31 31 HIS H H 1 7.926 0.002 . 1 . . . . A 47 HIS H . 34709 1 289 . 1 . 1 31 31 HIS HA H 1 4.076 0.006 . 1 . . . . A 47 HIS HA . 34709 1 290 . 1 . 1 31 31 HIS HB2 H 1 2.949 0.033 . 1 . . . . A 47 HIS HB2 . 34709 1 291 . 1 . 1 31 31 HIS HD2 H 1 6.703 0.025 . 1 . . . . A 47 HIS HD2 . 34709 1 292 . 1 . 1 31 31 HIS HE2 H 1 10.147 0.019 . 1 . . . . A 47 HIS HE2 . 34709 1 293 . 1 . 1 31 31 HIS C C 13 177.386 . . 1 . . . . A 47 HIS C . 34709 1 294 . 1 . 1 31 31 HIS CA C 13 60.600 . . 1 . . . . A 47 HIS CA . 34709 1 295 . 1 . 1 31 31 HIS N N 15 114.963 0.001 . 1 . . . . A 47 HIS N . 34709 1 296 . 1 . 1 32 32 ALA H H 1 8.109 . . 1 . . . . A 48 ALA H . 34709 1 297 . 1 . 1 32 32 ALA HA H 1 4.174 0.016 . 1 . . . . A 48 ALA HA . 34709 1 298 . 1 . 1 32 32 ALA HB1 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB1 . 34709 1 299 . 1 . 1 32 32 ALA HB2 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB2 . 34709 1 300 . 1 . 1 32 32 ALA HB3 H 1 1.448 0.021 . 1 . . . . A 48 ALA HB3 . 34709 1 301 . 1 . 1 32 32 ALA C C 13 180.465 . . 1 . . . . A 48 ALA C . 34709 1 302 . 1 . 1 32 32 ALA CA C 13 54.807 0.01 . 1 . . . . A 48 ALA CA . 34709 1 303 . 1 . 1 32 32 ALA CB C 13 18.484 0.005 . 1 . . . . A 48 ALA CB . 34709 1 304 . 1 . 1 33 33 VAL H H 1 8.642 0.007 . 1 . . . . A 49 VAL H . 34709 1 305 . 1 . 1 33 33 VAL HA H 1 3.759 0.011 . 1 . . . . A 49 VAL HA . 34709 1 306 . 1 . 1 33 33 VAL HB H 1 2.005 0.005 . 1 . . . . A 49 VAL HB . 34709 1 307 . 1 . 1 33 33 VAL HG11 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG11 . 34709 1 308 . 1 . 1 33 33 VAL HG12 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG12 . 34709 1 309 . 1 . 1 33 33 VAL HG13 H 1 0.853 0.007 . 2 . . . . A 49 VAL HG13 . 34709 1 310 . 1 . 1 33 33 VAL HG21 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG21 . 34709 1 311 . 1 . 1 33 33 VAL HG22 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG22 . 34709 1 312 . 1 . 1 33 33 VAL HG23 H 1 1.075 0.005 . 2 . . . . A 49 VAL HG23 . 34709 1 313 . 1 . 1 33 33 VAL C C 13 176.778 0.011 . 1 . . . . A 49 VAL C . 34709 1 314 . 1 . 1 33 33 VAL CA C 13 65.249 0.032 . 1 . . . . A 49 VAL CA . 34709 1 315 . 1 . 1 33 33 VAL CB C 13 31.991 0.109 . 1 . . . . A 49 VAL CB . 34709 1 316 . 1 . 1 33 33 VAL CG1 C 13 22.064 0.014 . 1 . . . . A 49 VAL CG1 . 34709 1 317 . 1 . 1 33 33 VAL CG2 C 13 22.833 0.003 . 1 . . . . A 49 VAL CG2 . 34709 1 318 . 1 . 1 33 33 VAL N N 15 117.598 0.0 . 1 . . . . A 49 VAL N . 34709 1 319 . 1 . 1 34 34 ALA H H 1 8.159 0.007 . 1 . . . . A 50 ALA H . 34709 1 320 . 1 . 1 34 34 ALA HA H 1 4.010 . . 1 . . . . A 50 ALA HA . 34709 1 321 . 1 . 1 34 34 ALA HB1 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB1 . 34709 1 322 . 1 . 1 34 34 ALA HB2 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB2 . 34709 1 323 . 1 . 1 34 34 ALA HB3 H 1 1.030 0.006 . 1 . . . . A 50 ALA HB3 . 34709 1 324 . 1 . 1 34 34 ALA C C 13 178.223 0.001 . 1 . . . . A 50 ALA C . 34709 1 325 . 1 . 1 34 34 ALA CA C 13 52.974 . . 1 . . . . A 50 ALA CA . 34709 1 326 . 1 . 1 34 34 ALA N N 15 120.238 0.0 . 1 . . . . A 50 ALA N . 34709 1 327 . 1 . 1 35 35 GLY H H 1 7.850 0.012 . 1 . . . . A 51 GLY H . 34709 1 328 . 1 . 1 35 35 GLY HA2 H 1 3.984 . . 2 . . . . A 51 GLY HA2 . 34709 1 329 . 1 . 1 35 35 GLY HA3 H 1 3.833 . . 2 . . . . A 51 GLY HA3 . 34709 1 330 . 1 . 1 35 35 GLY C C 13 175.095 0.014 . 1 . . . . A 51 GLY C . 34709 1 331 . 1 . 1 35 35 GLY CA C 13 46.027 0.007 . 1 . . . . A 51 GLY CA . 34709 1 332 . 1 . 1 35 35 GLY N N 15 106.654 0.0 . 1 . . . . A 51 GLY N . 34709 1 333 . 1 . 1 36 36 THR H H 1 8.133 0.003 . 1 . . . . A 52 THR H . 34709 1 334 . 1 . 1 36 36 THR HA H 1 4.506 0.012 . 1 . . . . A 52 THR HA . 34709 1 335 . 1 . 1 36 36 THR HB H 1 4.457 0.004 . 1 . . . . A 52 THR HB . 34709 1 336 . 1 . 1 36 36 THR HG1 H 1 4.750 0.018 . 1 . . . . A 52 THR HG1 . 34709 1 337 . 1 . 1 36 36 THR HG21 H 1 1.069 0.013 . 1 . . . . A 52 THR HG21 . 34709 1 338 . 1 . 1 36 36 THR HG22 H 1 1.069 0.013 . 1 . . . . A 52 THR HG22 . 34709 1 339 . 1 . 1 36 36 THR HG23 H 1 1.069 0.013 . 1 . . . . A 52 THR HG23 . 34709 1 340 . 1 . 1 36 36 THR C C 13 174.072 0.022 . 1 . . . . A 52 THR C . 34709 1 341 . 1 . 1 36 36 THR CA C 13 59.466 0.066 . 1 . . . . A 52 THR CA . 34709 1 342 . 1 . 1 36 36 THR CB C 13 70.969 0.042 . 1 . . . . A 52 THR CB . 34709 1 343 . 1 . 1 36 36 THR CG2 C 13 22.206 0.02 . 1 . . . . A 52 THR CG2 . 34709 1 344 . 1 . 1 36 36 THR N N 15 110.999 0.0 . 1 . . . . A 52 THR N . 34709 1 345 . 1 . 1 37 37 ALA H H 1 8.286 0.003 . 1 . . . . A 53 ALA H . 34709 1 346 . 1 . 1 37 37 ALA HA H 1 4.113 0.003 . 1 . . . . A 53 ALA HA . 34709 1 347 . 1 . 1 37 37 ALA HB1 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB1 . 34709 1 348 . 1 . 1 37 37 ALA HB2 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB2 . 34709 1 349 . 1 . 1 37 37 ALA HB3 H 1 1.260 0.002 . 1 . . . . A 53 ALA HB3 . 34709 1 350 . 1 . 1 37 37 ALA C C 13 177.766 0.0 . 1 . . . . A 53 ALA C . 34709 1 351 . 1 . 1 37 37 ALA CA C 13 52.127 0.027 . 1 . . . . A 53 ALA CA . 34709 1 352 . 1 . 1 37 37 ALA CB C 13 19.094 0.007 . 1 . . . . A 53 ALA CB . 34709 1 353 . 1 . 1 37 37 ALA N N 15 123.390 0.0 . 1 . . . . A 53 ALA N . 34709 1 354 . 1 . 1 38 38 ARG H H 1 8.330 0.01 . 1 . . . . A 54 ARG H . 34709 1 355 . 1 . 1 38 38 ARG HA H 1 3.064 0.001 . 1 . . . . A 54 ARG HA . 34709 1 356 . 1 . 1 38 38 ARG HB2 H 1 1.360 . . 1 . . . . A 54 ARG HB2 . 34709 1 357 . 1 . 1 38 38 ARG HG2 H 1 1.249 0.003 . 1 . . . . A 54 ARG HG2 . 34709 1 358 . 1 . 1 38 38 ARG HD2 H 1 3.020 . . 1 . . . . A 54 ARG HD2 . 34709 1 359 . 1 . 1 38 38 ARG C C 13 175.540 0.034 . 1 . . . . A 54 ARG C . 34709 1 360 . 1 . 1 38 38 ARG CA C 13 56.325 0.031 . 1 . . . . A 54 ARG CA . 34709 1 361 . 1 . 1 38 38 ARG CB C 13 31.109 0.216 . 1 . . . . A 54 ARG CB . 34709 1 362 . 1 . 1 38 38 ARG CG C 13 27.595 . . 1 . . . . A 54 ARG CG . 34709 1 363 . 1 . 1 38 38 ARG CD C 13 43.654 . . 1 . . . . A 54 ARG CD . 34709 1 364 . 1 . 1 38 38 ARG N N 15 119.998 0.0 . 1 . . . . A 54 ARG N . 34709 1 365 . 1 . 1 39 39 ASN H H 1 6.762 0.015 . 1 . . . . A 55 ASN H . 34709 1 366 . 1 . 1 39 39 ASN HA H 1 4.744 0.018 . 1 . . . . A 55 ASN HA . 34709 1 367 . 1 . 1 39 39 ASN HB2 H 1 2.861 0.023 . 2 . . . . A 55 ASN HB2 . 34709 1 368 . 1 . 1 39 39 ASN HB3 H 1 2.757 . . 2 . . . . A 55 ASN HB3 . 34709 1 369 . 1 . 1 39 39 ASN HD21 H 1 7.393 0.007 . 1 . . . . A 55 ASN HD21 . 34709 1 370 . 1 . 1 39 39 ASN HD22 H 1 6.953 . . 1 . . . . A 55 ASN HD22 . 34709 1 371 . 1 . 1 39 39 ASN C C 13 173.433 . . 1 . . . . A 55 ASN C . 34709 1 372 . 1 . 1 39 39 ASN N N 15 120.293 0.0 . 1 . . . . A 55 ASN N . 34709 1 373 . 1 . 1 40 40 PRO HA H 1 4.126 0.008 . 1 . . . . A 56 PRO HA . 34709 1 374 . 1 . 1 40 40 PRO HG2 H 1 1.587 0.013 . 1 . . . . A 56 PRO HG2 . 34709 1 375 . 1 . 1 40 40 PRO HD2 H 1 3.792 . . 1 . . . . A 56 PRO HD2 . 34709 1 376 . 1 . 1 40 40 PRO C C 13 179.533 . . 1 . . . . A 56 PRO C . 34709 1 377 . 1 . 1 40 40 PRO CA C 13 66.705 0.005 . 1 . . . . A 56 PRO CA . 34709 1 378 . 1 . 1 40 40 PRO CB C 13 32.250 0.02 . 1 . . . . A 56 PRO CB . 34709 1 379 . 1 . 1 40 40 PRO CG C 13 28.195 . . 1 . . . . A 56 PRO CG . 34709 1 380 . 1 . 1 41 41 VAL H H 1 7.844 0.009 . 1 . . . . A 57 VAL H . 34709 1 381 . 1 . 1 41 41 VAL HA H 1 3.813 0.015 . 1 . . . . A 57 VAL HA . 34709 1 382 . 1 . 1 41 41 VAL HB H 1 2.118 0.01 . 1 . . . . A 57 VAL HB . 34709 1 383 . 1 . 1 41 41 VAL HG11 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG11 . 34709 1 384 . 1 . 1 41 41 VAL HG12 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG12 . 34709 1 385 . 1 . 1 41 41 VAL HG13 H 1 0.872 0.012 . 2 . . . . A 57 VAL HG13 . 34709 1 386 . 1 . 1 41 41 VAL HG21 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG21 . 34709 1 387 . 1 . 1 41 41 VAL HG22 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG22 . 34709 1 388 . 1 . 1 41 41 VAL HG23 H 1 1.017 0.013 . 2 . . . . A 57 VAL HG23 . 34709 1 389 . 1 . 1 41 41 VAL C C 13 179.201 0.001 . 1 . . . . A 57 VAL C . 34709 1 390 . 1 . 1 41 41 VAL CA C 13 66.158 0.047 . 1 . . . . A 57 VAL CA . 34709 1 391 . 1 . 1 41 41 VAL CB C 13 31.612 0.025 . 1 . . . . A 57 VAL CB . 34709 1 392 . 1 . 1 41 41 VAL CG1 C 13 20.403 0.021 . 1 . . . . A 57 VAL CG1 . 34709 1 393 . 1 . 1 41 41 VAL CG2 C 13 22.533 0.012 . 1 . . . . A 57 VAL CG2 . 34709 1 394 . 1 . 1 41 41 VAL N N 15 118.813 0.076 . 1 . . . . A 57 VAL N . 34709 1 395 . 1 . 1 42 42 LEU H H 1 8.037 0.013 . 1 . . . . A 58 LEU H . 34709 1 396 . 1 . 1 42 42 LEU HA H 1 4.105 0.002 . 1 . . . . A 58 LEU HA . 34709 1 397 . 1 . 1 42 42 LEU HB2 H 1 1.898 0.014 . 1 . . . . A 58 LEU HB2 . 34709 1 398 . 1 . 1 42 42 LEU HD11 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD11 . 34709 1 399 . 1 . 1 42 42 LEU HD12 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD12 . 34709 1 400 . 1 . 1 42 42 LEU HD13 H 1 0.929 0.011 . 1 . . . . A 58 LEU HD13 . 34709 1 401 . 1 . 1 42 42 LEU C C 13 179.207 . . 1 . . . . A 58 LEU C . 34709 1 402 . 1 . 1 42 42 LEU CA C 13 57.320 0.018 . 1 . . . . A 58 LEU CA . 34709 1 403 . 1 . 1 42 42 LEU CB C 13 41.357 . . 1 . . . . A 58 LEU CB . 34709 1 404 . 1 . 1 42 42 LEU N N 15 121.150 0.0 . 1 . . . . A 58 LEU N . 34709 1 405 . 1 . 1 43 43 LYS H H 1 8.531 0.008 . 1 . . . . A 59 LYS H . 34709 1 406 . 1 . 1 43 43 LYS HA H 1 4.035 0.008 . 1 . . . . A 59 LYS HA . 34709 1 407 . 1 . 1 43 43 LYS HB2 H 1 1.807 0.008 . 1 . . . . A 59 LYS HB2 . 34709 1 408 . 1 . 1 43 43 LYS HG2 H 1 1.519 0.006 . 1 . . . . A 59 LYS HG2 . 34709 1 409 . 1 . 1 43 43 LYS HD2 H 1 1.605 0.001 . 1 . . . . A 59 LYS HD2 . 34709 1 410 . 1 . 1 43 43 LYS C C 13 178.514 0.001 . 1 . . . . A 59 LYS C . 34709 1 411 . 1 . 1 43 43 LYS CA C 13 60.405 0.023 . 1 . . . . A 59 LYS CA . 34709 1 412 . 1 . 1 43 43 LYS CB C 13 32.634 0.072 . 1 . . . . A 59 LYS CB . 34709 1 413 . 1 . 1 43 43 LYS CG C 13 25.460 . . 1 . . . . A 59 LYS CG . 34709 1 414 . 1 . 1 43 43 LYS CD C 13 29.604 0.004 . 1 . . . . A 59 LYS CD . 34709 1 415 . 1 . 1 43 43 LYS CE C 13 41.946 . . 1 . . . . A 59 LYS CE . 34709 1 416 . 1 . 1 43 43 LYS N N 15 121.149 0.0 . 1 . . . . A 59 LYS N . 34709 1 417 . 1 . 1 44 44 ALA H H 1 7.832 0.007 . 1 . . . . A 60 ALA H . 34709 1 418 . 1 . 1 44 44 ALA HA H 1 4.243 0.006 . 1 . . . . A 60 ALA HA . 34709 1 419 . 1 . 1 44 44 ALA HB1 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB1 . 34709 1 420 . 1 . 1 44 44 ALA HB2 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB2 . 34709 1 421 . 1 . 1 44 44 ALA HB3 H 1 1.531 0.022 . 1 . . . . A 60 ALA HB3 . 34709 1 422 . 1 . 1 44 44 ALA C C 13 180.951 0.003 . 1 . . . . A 60 ALA C . 34709 1 423 . 1 . 1 44 44 ALA CA C 13 55.063 0.05 . 1 . . . . A 60 ALA CA . 34709 1 424 . 1 . 1 44 44 ALA CB C 13 17.716 0.074 . 1 . . . . A 60 ALA CB . 34709 1 425 . 1 . 1 44 44 ALA N N 15 120.589 0.0 . 1 . . . . A 60 ALA N . 34709 1 426 . 1 . 1 45 45 PHE H H 1 8.114 0.008 . 1 . . . . A 61 PHE H . 34709 1 427 . 1 . 1 45 45 PHE HB2 H 1 3.375 . . 1 . . . . A 61 PHE HB2 . 34709 1 428 . 1 . 1 45 45 PHE HD1 H 1 7.296 . . 1 . . . . A 61 PHE HD1 . 34709 1 429 . 1 . 1 45 45 PHE HD2 H 1 7.296 . . 1 . . . . A 61 PHE HD2 . 34709 1 430 . 1 . 1 45 45 PHE HE1 H 1 7.229 0.044 . 1 . . . . A 61 PHE HE1 . 34709 1 431 . 1 . 1 45 45 PHE HE2 H 1 7.229 0.044 . 1 . . . . A 61 PHE HE2 . 34709 1 432 . 1 . 1 45 45 PHE C C 13 175.810 0.011 . 1 . . . . A 61 PHE C . 34709 1 433 . 1 . 1 45 45 PHE CA C 13 61.113 0.0 . 1 . . . . A 61 PHE CA . 34709 1 434 . 1 . 1 45 45 PHE CB C 13 38.979 0.003 . 1 . . . . A 61 PHE CB . 34709 1 435 . 1 . 1 45 45 PHE N N 15 120.198 0.002 . 1 . . . . A 61 PHE N . 34709 1 436 . 1 . 1 46 46 TRP H H 1 8.709 0.011 . 1 . . . . A 62 TRP H . 34709 1 437 . 1 . 1 46 46 TRP HA H 1 3.742 0.011 . 1 . . . . A 62 TRP HA . 34709 1 438 . 1 . 1 46 46 TRP HB2 H 1 3.362 0.027 . 1 . . . . A 62 TRP HB2 . 34709 1 439 . 1 . 1 46 46 TRP HD1 H 1 7.352 0.007 . 1 . . . . A 62 TRP HD1 . 34709 1 440 . 1 . 1 46 46 TRP C C 13 175.525 0.024 . 1 . . . . A 62 TRP C . 34709 1 441 . 1 . 1 46 46 TRP CA C 13 59.869 0.03 . 1 . . . . A 62 TRP CA . 34709 1 442 . 1 . 1 46 46 TRP CB C 13 29.015 0.085 . 1 . . . . A 62 TRP CB . 34709 1 443 . 1 . 1 46 46 TRP N N 15 120.776 0.0 . 1 . . . . A 62 TRP N . 34709 1 444 . 1 . 1 47 47 ASN H H 1 7.558 0.008 . 1 . . . . A 63 ASN H . 34709 1 445 . 1 . 1 47 47 ASN HA H 1 4.376 0.011 . 1 . . . . A 63 ASN HA . 34709 1 446 . 1 . 1 47 47 ASN HB2 H 1 2.819 0.008 . 1 . . . . A 63 ASN HB2 . 34709 1 447 . 1 . 1 47 47 ASN HD21 H 1 7.026 . . 1 . . . . A 63 ASN HD21 . 34709 1 448 . 1 . 1 47 47 ASN C C 13 176.112 0.003 . 1 . . . . A 63 ASN C . 34709 1 449 . 1 . 1 47 47 ASN CA C 13 55.113 0.022 . 1 . . . . A 63 ASN CA . 34709 1 450 . 1 . 1 47 47 ASN CB C 13 39.305 0.027 . 1 . . . . A 63 ASN CB . 34709 1 451 . 1 . 1 47 47 ASN N N 15 110.433 0.0 . 1 . . . . A 63 ASN N . 34709 1 452 . 1 . 1 48 48 SER H H 1 7.609 0.001 . 1 . . . . A 64 SER H . 34709 1 453 . 1 . 1 48 48 SER HA H 1 4.469 0.004 . 1 . . . . A 64 SER HA . 34709 1 454 . 1 . 1 48 48 SER HB2 H 1 3.791 0.001 . 1 . . . . A 64 SER HB2 . 34709 1 455 . 1 . 1 48 48 SER HG H 1 7.331 . . 1 . . . . A 64 SER HG . 34709 1 456 . 1 . 1 48 48 SER C C 13 175.384 0.028 . 1 . . . . A 64 SER C . 34709 1 457 . 1 . 1 48 48 SER CA C 13 59.124 0.006 . 1 . . . . A 64 SER CA . 34709 1 458 . 1 . 1 48 48 SER CB C 13 65.665 0.067 . 1 . . . . A 64 SER CB . 34709 1 459 . 1 . 1 48 48 SER N N 15 111.754 0.0 . 1 . . . . A 64 SER N . 34709 1 460 . 1 . 1 49 49 VAL H H 1 7.953 0.009 . 1 . . . . A 65 VAL H . 34709 1 461 . 1 . 1 49 49 VAL HA H 1 4.147 0.013 . 1 . . . . A 65 VAL HA . 34709 1 462 . 1 . 1 49 49 VAL HB H 1 1.167 0.018 . 1 . . . . A 65 VAL HB . 34709 1 463 . 1 . 1 49 49 VAL HG11 H 1 0.917 . . 1 . . . . A 65 VAL HG11 . 34709 1 464 . 1 . 1 49 49 VAL HG12 H 1 0.917 . . 1 . . . . A 65 VAL HG12 . 34709 1 465 . 1 . 1 49 49 VAL HG13 H 1 0.917 . . 1 . . . . A 65 VAL HG13 . 34709 1 466 . 1 . 1 49 49 VAL C C 13 172.837 . . 1 . . . . A 65 VAL C . 34709 1 467 . 1 . 1 49 49 VAL CA C 13 58.850 0.067 . 1 . . . . A 65 VAL CA . 34709 1 468 . 1 . 1 49 49 VAL CB C 13 31.416 0.1 . 1 . . . . A 65 VAL CB . 34709 1 469 . 1 . 1 49 49 VAL CG1 C 13 18.618 0.025 . 2 . . . . A 65 VAL CG1 . 34709 1 470 . 1 . 1 49 49 VAL CG2 C 13 21.643 . . 2 . . . . A 65 VAL CG2 . 34709 1 471 . 1 . 1 49 49 VAL N N 15 125.692 0.006 . 1 . . . . A 65 VAL N . 34709 1 472 . 1 . 1 50 50 PRO HA H 1 4.497 . . 1 . . . . A 66 PRO HA . 34709 1 473 . 1 . 1 50 50 PRO HB2 H 1 2.434 0.008 . 1 . . . . A 66 PRO HB2 . 34709 1 474 . 1 . 1 50 50 PRO C C 13 177.877 . . 1 . . . . A 66 PRO C . 34709 1 475 . 1 . 1 50 50 PRO CA C 13 62.729 0.015 . 1 . . . . A 66 PRO CA . 34709 1 476 . 1 . 1 50 50 PRO CB C 13 32.211 0.035 . 1 . . . . A 66 PRO CB . 34709 1 477 . 1 . 1 50 50 PRO CG C 13 27.751 . . 1 . . . . A 66 PRO CG . 34709 1 478 . 1 . 1 50 50 PRO CD C 13 50.869 . . 1 . . . . A 66 PRO CD . 34709 1 479 . 1 . 1 51 51 LEU H H 1 9.001 0.001 . 1 . . . . A 67 LEU H . 34709 1 480 . 1 . 1 51 51 LEU C C 13 177.941 . . 1 . . . . A 67 LEU C . 34709 1 481 . 1 . 1 51 51 LEU CA C 13 56.318 . . 1 . . . . A 67 LEU CA . 34709 1 482 . 1 . 1 51 51 LEU CB C 13 46.964 . . 1 . . . . A 67 LEU CB . 34709 1 483 . 1 . 1 51 51 LEU N N 15 122.220 0.0 . 1 . . . . A 67 LEU N . 34709 1 484 . 1 . 1 52 52 LYS HB2 H 1 1.904 0.018 . 1 . . . . A 68 LYS HB2 . 34709 1 485 . 1 . 1 52 52 LYS C C 13 179.519 . . 1 . . . . A 68 LYS C . 34709 1 486 . 1 . 1 52 52 LYS CA C 13 60.414 . . 1 . . . . A 68 LYS CA . 34709 1 487 . 1 . 1 52 52 LYS CB C 13 31.974 . . 1 . . . . A 68 LYS CB . 34709 1 488 . 1 . 1 53 53 GLN H H 1 7.010 0.002 . 1 . . . . A 69 GLN H . 34709 1 489 . 1 . 1 53 53 GLN HB2 H 1 2.261 . . 1 . . . . A 69 GLN HB2 . 34709 1 490 . 1 . 1 53 53 GLN C C 13 178.862 . . 1 . . . . A 69 GLN C . 34709 1 491 . 1 . 1 53 53 GLN CA C 13 59.020 . . 1 . . . . A 69 GLN CA . 34709 1 492 . 1 . 1 53 53 GLN CB C 13 30.048 . . 1 . . . . A 69 GLN CB . 34709 1 493 . 1 . 1 53 53 GLN N N 15 117.270 0.0 . 1 . . . . A 69 GLN N . 34709 1 494 . 1 . 1 54 54 ALA H H 1 8.425 0.003 . 1 . . . . A 70 ALA H . 34709 1 495 . 1 . 1 54 54 ALA HA H 1 3.787 0.014 . 1 . . . . A 70 ALA HA . 34709 1 496 . 1 . 1 54 54 ALA HB1 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB1 . 34709 1 497 . 1 . 1 54 54 ALA HB2 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB2 . 34709 1 498 . 1 . 1 54 54 ALA HB3 H 1 1.328 0.005 . 1 . . . . A 70 ALA HB3 . 34709 1 499 . 1 . 1 54 54 ALA C C 13 179.124 . . 1 . . . . A 70 ALA C . 34709 1 500 . 1 . 1 54 54 ALA CA C 13 55.241 0.013 . 1 . . . . A 70 ALA CA . 34709 1 501 . 1 . 1 54 54 ALA CB C 13 20.521 0.032 . 1 . . . . A 70 ALA CB . 34709 1 502 . 1 . 1 55 55 THR H H 1 8.670 0.01 . 1 . . . . A 71 THR H . 34709 1 503 . 1 . 1 55 55 THR HA H 1 4.209 0.009 . 1 . . . . A 71 THR HA . 34709 1 504 . 1 . 1 55 55 THR HB H 1 4.195 . . 1 . . . . A 71 THR HB . 34709 1 505 . 1 . 1 55 55 THR HG21 H 1 1.253 0.02 . 1 . . . . A 71 THR HG21 . 34709 1 506 . 1 . 1 55 55 THR HG22 H 1 1.253 0.02 . 1 . . . . A 71 THR HG22 . 34709 1 507 . 1 . 1 55 55 THR HG23 H 1 1.253 0.02 . 1 . . . . A 71 THR HG23 . 34709 1 508 . 1 . 1 55 55 THR C C 13 171.979 . . 1 . . . . A 71 THR C . 34709 1 509 . 1 . 1 55 55 THR CA C 13 67.265 0.025 . 1 . . . . A 71 THR CA . 34709 1 510 . 1 . 1 55 55 THR CB C 13 68.707 0.001 . 1 . . . . A 71 THR CB . 34709 1 511 . 1 . 1 55 55 THR N N 15 113.611 0.001 . 1 . . . . A 71 THR N . 34709 1 512 . 1 . 1 56 56 ALA H H 1 7.603 0.009 . 1 . . . . A 72 ALA H . 34709 1 513 . 1 . 1 56 56 ALA HA H 1 4.075 0.008 . 1 . . . . A 72 ALA HA . 34709 1 514 . 1 . 1 56 56 ALA HB1 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB1 . 34709 1 515 . 1 . 1 56 56 ALA HB2 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB2 . 34709 1 516 . 1 . 1 56 56 ALA HB3 H 1 1.568 0.012 . 1 . . . . A 72 ALA HB3 . 34709 1 517 . 1 . 1 56 56 ALA C C 13 180.770 0.003 . 1 . . . . A 72 ALA C . 34709 1 518 . 1 . 1 56 56 ALA CA C 13 55.458 0.047 . 1 . . . . A 72 ALA CA . 34709 1 519 . 1 . 1 56 56 ALA CB C 13 17.920 0.022 . 1 . . . . A 72 ALA CB . 34709 1 520 . 1 . 1 56 56 ALA N N 15 123.582 0.0 . 1 . . . . A 72 ALA N . 34709 1 521 . 1 . 1 57 57 ALA H H 1 7.709 0.004 . 1 . . . . A 73 ALA H . 34709 1 522 . 1 . 1 57 57 ALA HA H 1 4.202 0.015 . 1 . . . . A 73 ALA HA . 34709 1 523 . 1 . 1 57 57 ALA HB1 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB1 . 34709 1 524 . 1 . 1 57 57 ALA HB2 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB2 . 34709 1 525 . 1 . 1 57 57 ALA HB3 H 1 1.516 0.006 . 1 . . . . A 73 ALA HB3 . 34709 1 526 . 1 . 1 57 57 ALA C C 13 179.301 . . 1 . . . . A 73 ALA C . 34709 1 527 . 1 . 1 57 57 ALA CA C 13 54.952 0.071 . 1 . . . . A 73 ALA CA . 34709 1 528 . 1 . 1 57 57 ALA CB C 13 18.297 0.024 . 1 . . . . A 73 ALA CB . 34709 1 529 . 1 . 1 57 57 ALA N N 15 120.669 0.0 . 1 . . . . A 73 ALA N . 34709 1 530 . 1 . 1 58 58 LEU H H 1 8.071 0.008 . 1 . . . . A 74 LEU H . 34709 1 531 . 1 . 1 58 58 LEU HA H 1 3.877 0.0 . 1 . . . . A 74 LEU HA . 34709 1 532 . 1 . 1 58 58 LEU HB2 H 1 1.897 . . 1 . . . . A 74 LEU HB2 . 34709 1 533 . 1 . 1 58 58 LEU HG H 1 1.124 0.0 . 1 . . . . A 74 LEU HG . 34709 1 534 . 1 . 1 58 58 LEU C C 13 178.802 . . 1 . . . . A 74 LEU C . 34709 1 535 . 1 . 1 58 58 LEU CA C 13 58.691 0.043 . 1 . . . . A 74 LEU CA . 34709 1 536 . 1 . 1 58 58 LEU CB C 13 41.988 0.038 . 1 . . . . A 74 LEU CB . 34709 1 537 . 1 . 1 58 58 LEU CG C 13 27.342 . . 1 . . . . A 74 LEU CG . 34709 1 538 . 1 . 1 58 58 LEU CD1 C 13 25.375 . . 2 . . . . A 74 LEU CD1 . 34709 1 539 . 1 . 1 58 58 LEU CD2 C 13 23.740 . . 2 . . . . A 74 LEU CD2 . 34709 1 540 . 1 . 1 58 58 LEU N N 15 117.174 0.0 . 1 . . . . A 74 LEU N . 34709 1 541 . 1 . 1 59 59 ARG H H 1 7.673 0.001 . 1 . . . . A 75 ARG H . 34709 1 542 . 1 . 1 59 59 ARG HA H 1 4.052 0.012 . 1 . . . . A 75 ARG HA . 34709 1 543 . 1 . 1 59 59 ARG HB2 H 1 2.144 . . 1 . . . . A 75 ARG HB2 . 34709 1 544 . 1 . 1 59 59 ARG HG2 H 1 1.726 . . 1 . . . . A 75 ARG HG2 . 34709 1 545 . 1 . 1 59 59 ARG HD2 H 1 3.137 . . 1 . . . . A 75 ARG HD2 . 34709 1 546 . 1 . 1 59 59 ARG C C 13 180.606 . . 1 . . . . A 75 ARG C . 34709 1 547 . 1 . 1 59 59 ARG CA C 13 58.022 0.024 . 1 . . . . A 75 ARG CA . 34709 1 548 . 1 . 1 59 59 ARG CB C 13 31.810 0.006 . 1 . . . . A 75 ARG CB . 34709 1 549 . 1 . 1 59 59 ARG CG C 13 27.154 . . 1 . . . . A 75 ARG CG . 34709 1 550 . 1 . 1 59 59 ARG N N 15 115.748 0.0 . 1 . . . . A 75 ARG N . 34709 1 551 . 1 . 1 60 60 LYS H H 1 8.534 0.001 . 1 . . . . A 76 LYS H . 34709 1 552 . 1 . 1 61 61 ILE H H 1 8.382 0.001 . 1 . . . . A 77 ILE H . 34709 1 553 . 1 . 1 61 61 ILE HA H 1 3.422 0.007 . 1 . . . . A 77 ILE HA . 34709 1 554 . 1 . 1 61 61 ILE HB H 1 1.974 0.008 . 1 . . . . A 77 ILE HB . 34709 1 555 . 1 . 1 61 61 ILE HG21 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG21 . 34709 1 556 . 1 . 1 61 61 ILE HG22 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG22 . 34709 1 557 . 1 . 1 61 61 ILE HG23 H 1 0.875 0.004 . 1 . . . . A 77 ILE HG23 . 34709 1 558 . 1 . 1 61 61 ILE HD11 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD11 . 34709 1 559 . 1 . 1 61 61 ILE HD12 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD12 . 34709 1 560 . 1 . 1 61 61 ILE HD13 H 1 0.770 0.008 . 1 . . . . A 77 ILE HD13 . 34709 1 561 . 1 . 1 61 61 ILE CA C 13 66.963 0.056 . 1 . . . . A 77 ILE CA . 34709 1 562 . 1 . 1 61 61 ILE CB C 13 38.254 0.038 . 1 . . . . A 77 ILE CB . 34709 1 563 . 1 . 1 61 61 ILE CG1 C 13 29.612 0.044 . 1 . . . . A 77 ILE CG1 . 34709 1 564 . 1 . 1 61 61 ILE CG2 C 13 18.569 0.024 . 1 . . . . A 77 ILE CG2 . 34709 1 565 . 1 . 1 61 61 ILE CD1 C 13 13.812 0.03 . 1 . . . . A 77 ILE CD1 . 34709 1 566 . 1 . 1 62 62 LYS H H 1 8.959 0.0 . 1 . . . . A 78 LYS H . 34709 1 567 . 1 . 1 62 62 LYS HA H 1 4.023 0.001 . 1 . . . . A 78 LYS HA . 34709 1 568 . 1 . 1 62 62 LYS HB2 H 1 2.200 0.001 . 1 . . . . A 78 LYS HB2 . 34709 1 569 . 1 . 1 62 62 LYS HG2 H 1 1.007 0.001 . 1 . . . . A 78 LYS HG2 . 34709 1 570 . 1 . 1 62 62 LYS C C 13 178.543 . . 1 . . . . A 78 LYS C . 34709 1 571 . 1 . 1 62 62 LYS CA C 13 60.351 0.244 . 1 . . . . A 78 LYS CA . 34709 1 572 . 1 . 1 62 62 LYS CB C 13 32.669 0.2 . 1 . . . . A 78 LYS CB . 34709 1 573 . 1 . 1 62 62 LYS CG C 13 25.443 . . 1 . . . . A 78 LYS CG . 34709 1 574 . 1 . 1 62 62 LYS CD C 13 29.510 . . 1 . . . . A 78 LYS CD . 34709 1 575 . 1 . 1 62 62 LYS CE C 13 41.924 . . 1 . . . . A 78 LYS CE . 34709 1 576 . 1 . 1 62 62 LYS N N 15 121.432 0.002 . 1 . . . . A 78 LYS N . 34709 1 577 . 1 . 1 63 63 ARG H H 1 8.371 0.001 . 1 . . . . A 79 ARG H . 34709 1 578 . 1 . 1 63 63 ARG C C 13 179.613 . . 1 . . . . A 79 ARG C . 34709 1 579 . 1 . 1 63 63 ARG CA C 13 59.464 . . 1 . . . . A 79 ARG CA . 34709 1 580 . 1 . 1 63 63 ARG N N 15 117.890 0.026 . 1 . . . . A 79 ARG N . 34709 1 581 . 1 . 1 64 64 THR HA H 1 4.485 . . 1 . . . . A 80 THR HA . 34709 1 582 . 1 . 1 64 64 THR HG21 H 1 1.115 0.003 . 1 . . . . A 80 THR HG21 . 34709 1 583 . 1 . 1 64 64 THR HG22 H 1 1.115 0.003 . 1 . . . . A 80 THR HG22 . 34709 1 584 . 1 . 1 64 64 THR HG23 H 1 1.115 0.003 . 1 . . . . A 80 THR HG23 . 34709 1 585 . 1 . 1 64 64 THR CA C 13 59.536 . . 1 . . . . A 80 THR CA . 34709 1 586 . 1 . 1 64 64 THR CB C 13 71.947 . . 1 . . . . A 80 THR CB . 34709 1 587 . 1 . 1 64 64 THR CG2 C 13 22.394 0.007 . 1 . . . . A 80 THR CG2 . 34709 1 588 . 1 . 1 67 67 ALA H H 1 7.899 0.005 . 1 . . . . A 83 ALA H . 34709 1 589 . 1 . 1 67 67 ALA HA H 1 4.255 0.012 . 1 . . . . A 83 ALA HA . 34709 1 590 . 1 . 1 67 67 ALA HB1 H 1 1.530 . . 1 . . . . A 83 ALA HB1 . 34709 1 591 . 1 . 1 67 67 ALA HB2 H 1 1.530 . . 1 . . . . A 83 ALA HB2 . 34709 1 592 . 1 . 1 67 67 ALA HB3 H 1 1.530 . . 1 . . . . A 83 ALA HB3 . 34709 1 593 . 1 . 1 68 68 LEU H H 1 8.469 0.0 . 1 . . . . A 84 LEU H . 34709 1 594 . 1 . 1 68 68 LEU HA H 1 4.234 0.01 . 1 . . . . A 84 LEU HA . 34709 1 595 . 1 . 1 68 68 LEU HB2 H 1 1.545 0.005 . 1 . . . . A 84 LEU HB2 . 34709 1 596 . 1 . 1 68 68 LEU HG H 1 0.842 0.005 . 1 . . . . A 84 LEU HG . 34709 1 597 . 1 . 1 68 68 LEU HD11 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD11 . 34709 1 598 . 1 . 1 68 68 LEU HD12 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD12 . 34709 1 599 . 1 . 1 68 68 LEU HD13 H 1 0.646 0.001 . 2 . . . . A 84 LEU HD13 . 34709 1 600 . 1 . 1 68 68 LEU HD21 H 1 0.873 . . 2 . . . . A 84 LEU HD21 . 34709 1 601 . 1 . 1 68 68 LEU HD22 H 1 0.873 . . 2 . . . . A 84 LEU HD22 . 34709 1 602 . 1 . 1 68 68 LEU HD23 H 1 0.873 . . 2 . . . . A 84 LEU HD23 . 34709 1 603 . 1 . 1 68 68 LEU C C 13 178.743 . . 1 . . . . A 84 LEU C . 34709 1 604 . 1 . 1 68 68 LEU CA C 13 57.904 0.036 . 1 . . . . A 84 LEU CA . 34709 1 605 . 1 . 1 68 68 LEU CB C 13 42.338 0.014 . 1 . . . . A 84 LEU CB . 34709 1 606 . 1 . 1 68 68 LEU CG C 13 26.954 0.053 . 1 . . . . A 84 LEU CG . 34709 1 607 . 1 . 1 68 68 LEU CD2 C 13 22.410 0.013 . 1 . . . . A 84 LEU CD2 . 34709 1 608 . 1 . 1 69 69 MET H H 1 8.165 0.006 . 1 . . . . A 85 MET H . 34709 1 609 . 1 . 1 69 69 MET HA H 1 3.972 0.016 . 1 . . . . A 85 MET HA . 34709 1 610 . 1 . 1 69 69 MET HB2 H 1 2.366 0.008 . 1 . . . . A 85 MET HB2 . 34709 1 611 . 1 . 1 69 69 MET HG2 H 1 2.554 0.003 . 1 . . . . A 85 MET HG2 . 34709 1 612 . 1 . 1 69 69 MET C C 13 178.962 0.004 . 1 . . . . A 85 MET C . 34709 1 613 . 1 . 1 69 69 MET CA C 13 60.117 0.04 . 1 . . . . A 85 MET CA . 34709 1 614 . 1 . 1 69 69 MET CB C 13 33.059 . . 1 . . . . A 85 MET CB . 34709 1 615 . 1 . 1 69 69 MET N N 15 118.831 0.018 . 1 . . . . A 85 MET N . 34709 1 616 . 1 . 1 70 70 VAL H H 1 7.605 0.004 . 1 . . . . A 86 VAL H . 34709 1 617 . 1 . 1 70 70 VAL HA H 1 3.751 0.022 . 1 . . . . A 86 VAL HA . 34709 1 618 . 1 . 1 70 70 VAL HB H 1 2.171 0.008 . 1 . . . . A 86 VAL HB . 34709 1 619 . 1 . 1 70 70 VAL HG11 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG11 . 34709 1 620 . 1 . 1 70 70 VAL HG12 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG12 . 34709 1 621 . 1 . 1 70 70 VAL HG13 H 1 1.088 0.004 . 2 . . . . A 86 VAL HG13 . 34709 1 622 . 1 . 1 70 70 VAL HG21 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG21 . 34709 1 623 . 1 . 1 70 70 VAL HG22 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG22 . 34709 1 624 . 1 . 1 70 70 VAL HG23 H 1 0.970 0.001 . 2 . . . . A 86 VAL HG23 . 34709 1 625 . 1 . 1 70 70 VAL C C 13 179.039 0.013 . 1 . . . . A 86 VAL C . 34709 1 626 . 1 . 1 70 70 VAL CA C 13 66.187 0.037 . 1 . . . . A 86 VAL CA . 34709 1 627 . 1 . 1 70 70 VAL CB C 13 31.890 0.097 . 1 . . . . A 86 VAL CB . 34709 1 628 . 1 . 1 70 70 VAL CG1 C 13 22.538 0.003 . 1 . . . . A 86 VAL CG1 . 34709 1 629 . 1 . 1 70 70 VAL CG2 C 13 21.291 0.009 . 1 . . . . A 86 VAL CG2 . 34709 1 630 . 1 . 1 70 70 VAL N N 15 119.337 0.0 . 1 . . . . A 86 VAL N . 34709 1 631 . 1 . 1 71 71 GLY H H 1 8.435 0.004 . 1 . . . . A 87 GLY H . 34709 1 632 . 1 . 1 71 71 GLY HA2 H 1 3.919 0.006 . 1 . . . . A 87 GLY HA2 . 34709 1 633 . 1 . 1 71 71 GLY C C 13 177.654 . . 1 . . . . A 87 GLY C . 34709 1 634 . 1 . 1 71 71 GLY CA C 13 47.425 0.04 . 1 . . . . A 87 GLY CA . 34709 1 635 . 1 . 1 71 71 GLY N N 15 108.264 0.016 . 1 . . . . A 87 GLY N . 34709 1 636 . 1 . 1 72 72 LEU H H 1 8.434 0.008 . 1 . . . . A 88 LEU H . 34709 1 637 . 1 . 1 72 72 LEU HA H 1 4.285 0.013 . 1 . . . . A 88 LEU HA . 34709 1 638 . 1 . 1 72 72 LEU HB2 H 1 1.568 0.0 . 2 . . . . A 88 LEU HB2 . 34709 1 639 . 1 . 1 72 72 LEU HB3 H 1 1.791 0.002 . 2 . . . . A 88 LEU HB3 . 34709 1 640 . 1 . 1 72 72 LEU HG H 1 0.503 0.003 . 1 . . . . A 88 LEU HG . 34709 1 641 . 1 . 1 72 72 LEU HD11 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD11 . 34709 1 642 . 1 . 1 72 72 LEU HD12 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD12 . 34709 1 643 . 1 . 1 72 72 LEU HD13 H 1 1.005 0.001 . 2 . . . . A 88 LEU HD13 . 34709 1 644 . 1 . 1 72 72 LEU HD21 H 1 0.697 . . 2 . . . . A 88 LEU HD21 . 34709 1 645 . 1 . 1 72 72 LEU HD22 H 1 0.697 . . 2 . . . . A 88 LEU HD22 . 34709 1 646 . 1 . 1 72 72 LEU HD23 H 1 0.697 . . 2 . . . . A 88 LEU HD23 . 34709 1 647 . 1 . 1 72 72 LEU C C 13 179.183 . . 1 . . . . A 88 LEU C . 34709 1 648 . 1 . 1 72 72 LEU CA C 13 57.593 0.016 . 1 . . . . A 88 LEU CA . 34709 1 649 . 1 . 1 72 72 LEU CB C 13 42.527 0.044 . 1 . . . . A 88 LEU CB . 34709 1 650 . 1 . 1 72 72 LEU CG C 13 26.323 0.027 . 1 . . . . A 88 LEU CG . 34709 1 651 . 1 . 1 72 72 LEU CD2 C 13 23.111 . . 1 . . . . A 88 LEU CD2 . 34709 1 652 . 1 . 1 73 73 GLN H H 1 7.545 0.004 . 1 . . . . A 89 GLN H . 34709 1 653 . 1 . 1 73 73 GLN HA H 1 4.002 0.01 . 1 . . . . A 89 GLN HA . 34709 1 654 . 1 . 1 73 73 GLN HB2 H 1 2.265 0.009 . 1 . . . . A 89 GLN HB2 . 34709 1 655 . 1 . 1 73 73 GLN HG2 H 1 2.434 0.019 . 2 . . . . A 89 GLN HG2 . 34709 1 656 . 1 . 1 73 73 GLN HG3 H 1 2.550 0.013 . 2 . . . . A 89 GLN HG3 . 34709 1 657 . 1 . 1 73 73 GLN HE21 H 1 7.389 . . 1 . . . . A 89 GLN HE21 . 34709 1 658 . 1 . 1 73 73 GLN HE22 H 1 6.863 . . 1 . . . . A 89 GLN HE22 . 34709 1 659 . 1 . 1 73 73 GLN C C 13 177.651 0.006 . 1 . . . . A 89 GLN C . 34709 1 660 . 1 . 1 73 73 GLN CA C 13 57.919 0.036 . 1 . . . . A 89 GLN CA . 34709 1 661 . 1 . 1 73 73 GLN CB C 13 28.343 0.051 . 1 . . . . A 89 GLN CB . 34709 1 662 . 1 . 1 73 73 GLN CG C 13 34.017 0.009 . 1 . . . . A 89 GLN CG . 34709 1 663 . 1 . 1 73 73 GLN N N 15 116.379 0.0 . 1 . . . . A 89 GLN N . 34709 1 664 . 1 . 1 74 74 LYS H H 1 7.618 0.003 . 1 . . . . A 90 LYS H . 34709 1 665 . 1 . 1 74 74 LYS HA H 1 4.323 . . 1 . . . . A 90 LYS HA . 34709 1 666 . 1 . 1 74 74 LYS HB2 H 1 1.851 0.015 . 1 . . . . A 90 LYS HB2 . 34709 1 667 . 1 . 1 74 74 LYS HE2 H 1 2.915 . . 1 . . . . A 90 LYS HE2 . 34709 1 668 . 1 . 1 74 74 LYS C C 13 176.776 0.01 . 1 . . . . A 90 LYS C . 34709 1 669 . 1 . 1 74 74 LYS CA C 13 56.375 0.005 . 1 . . . . A 90 LYS CA . 34709 1 670 . 1 . 1 74 74 LYS CB C 13 32.464 0.02 . 1 . . . . A 90 LYS CB . 34709 1 671 . 1 . 1 74 74 LYS N N 15 117.150 0.0 . 1 . . . . A 90 LYS N . 34709 1 672 . 1 . 1 75 75 ARG H H 1 7.265 0.012 . 1 . . . . A 91 ARG H . 34709 1 673 . 1 . 1 75 75 ARG HA H 1 4.143 0.017 . 1 . . . . A 91 ARG HA . 34709 1 674 . 1 . 1 75 75 ARG HB2 H 1 1.885 0.005 . 1 . . . . A 91 ARG HB2 . 34709 1 675 . 1 . 1 75 75 ARG HG2 H 1 1.594 0.015 . 1 . . . . A 91 ARG HG2 . 34709 1 676 . 1 . 1 75 75 ARG C C 13 177.550 0.004 . 1 . . . . A 91 ARG C . 34709 1 677 . 1 . 1 75 75 ARG CA C 13 58.237 0.003 . 1 . . . . A 91 ARG CA . 34709 1 678 . 1 . 1 75 75 ARG CB C 13 30.743 0.042 . 1 . . . . A 91 ARG CB . 34709 1 679 . 1 . 1 75 75 ARG N N 15 120.383 0.0 . 1 . . . . A 91 ARG N . 34709 1 680 . 1 . 1 76 76 GLY H H 1 8.427 0.005 . 1 . . . . A 92 GLY H . 34709 1 681 . 1 . 1 76 76 GLY HA2 H 1 4.000 0.001 . 2 . . . . A 92 GLY HA2 . 34709 1 682 . 1 . 1 76 76 GLY HA3 H 1 3.893 0.006 . 2 . . . . A 92 GLY HA3 . 34709 1 683 . 1 . 1 76 76 GLY C C 13 173.992 0.013 . 1 . . . . A 92 GLY C . 34709 1 684 . 1 . 1 76 76 GLY CA C 13 45.212 0.019 . 1 . . . . A 92 GLY CA . 34709 1 685 . 1 . 1 76 76 GLY N N 15 108.224 0.015 . 1 . . . . A 92 GLY N . 34709 1 686 . 1 . 1 77 77 LYS H H 1 8.115 0.012 . 1 . . . . A 93 LYS H . 34709 1 687 . 1 . 1 77 77 LYS HA H 1 4.771 0.009 . 1 . . . . A 93 LYS HA . 34709 1 688 . 1 . 1 77 77 LYS HB2 H 1 1.778 . . 1 . . . . A 93 LYS HB2 . 34709 1 689 . 1 . 1 77 77 LYS HD2 H 1 1.319 0.0 . 1 . . . . A 93 LYS HD2 . 34709 1 690 . 1 . 1 77 77 LYS HE2 H 1 2.935 0.0 . 1 . . . . A 93 LYS HE2 . 34709 1 691 . 1 . 1 77 77 LYS HZ1 H 1 7.802 . . 1 . . . . A 93 LYS HZ1 . 34709 1 692 . 1 . 1 77 77 LYS HZ2 H 1 7.802 . . 1 . . . . A 93 LYS HZ2 . 34709 1 693 . 1 . 1 77 77 LYS HZ3 H 1 7.802 . . 1 . . . . A 93 LYS HZ3 . 34709 1 694 . 1 . 1 77 77 LYS C C 13 180.488 . . 1 . . . . A 93 LYS C . 34709 1 695 . 1 . 1 77 77 LYS CB C 13 33.076 . . 1 . . . . A 93 LYS CB . 34709 1 696 . 1 . 1 77 77 LYS N N 15 120.891 0.003 . 1 . . . . A 93 LYS N . 34709 1 697 . 1 . 1 78 78 ARG H H 1 8.620 . . 1 . . . . A 94 ARG H . 34709 1 698 . 1 . 1 78 78 ARG HA H 1 4.290 . . 1 . . . . A 94 ARG HA . 34709 1 699 . 1 . 1 78 78 ARG HH21 H 1 6.809 . . 1 . . . . A 94 ARG HH21 . 34709 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34709 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HCACO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 12.517 ppm . . . 6.607 . . 34709 1 2 . . N 15 N . 'not observed' 34.999 ppm . . . 118.081 . . 34709 1 3 . . C 13 CO . 'not observed' 14.002 ppm . . . 178.752 . . 34709 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Type _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . . 34709 1 2 1.0 . . . 34709 1 3 1.0 . . . 34709 1 4 1.0 . . . 34709 1 5 1.0 . . . 34709 1 6 1.0 . . . 34709 1 7 1.0 . . . 34709 1 8 1.0 . . . 34709 1 9 1.0 . . . 34709 1 10 1.0 . . . 34709 1 11 1.0 . . . 34709 1 12 1.0 . . . 34709 1 13 1.0 . . . 34709 1 14 1.0 . . . 34709 1 15 1.0 . . . 34709 1 16 1.0 . . . 34709 1 17 1.0 . . . 34709 1 18 1.0 . . . 34709 1 19 1.0 . . . 34709 1 20 1.0 . . . 34709 1 21 1.0 . . . 34709 1 22 1.0 . . . 34709 1 23 1.0 . . . 34709 1 24 1.0 . . . 34709 1 25 1.0 . . . 34709 1 26 1.0 . . . 34709 1 27 1.0 . . . 34709 1 28 1.0 . . . 34709 1 29 1.0 . . . 34709 1 30 1.0 . . . 34709 1 31 1.0 . . . 34709 1 32 1.0 . . . 34709 1 33 1.0 . . . 34709 1 34 1.0 . . . 34709 1 35 1.0 . . . 34709 1 36 1.0 . . . 34709 1 37 1.0 . . . 34709 1 38 1.0 . . . 34709 1 39 1.0 . . . 34709 1 40 1.0 . . . 34709 1 41 1.0 . . . 34709 1 42 1.0 . . . 34709 1 43 1.0 . . . 34709 1 44 1.0 . . . 34709 1 45 1.0 . . . 34709 1 46 1.0 . . . 34709 1 47 1.0 . . . 34709 1 48 1.0 . . . 34709 1 49 1.0 . . . 34709 1 50 1.0 . . . 34709 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 29816.5 . height 34709 1 1 303189.0 . volume 34709 1 2 92373.0 . height 34709 1 2 1600230.5 . volume 34709 1 3 193169.0 . height 34709 1 3 2223962.5 . volume 34709 1 4 300470.5 . height 34709 1 4 3469229.5 . volume 34709 1 5 195248.0 . height 34709 1 5 2033252.5 . volume 34709 1 6 281184.0 . height 34709 1 6 3400127.0 . volume 34709 1 7 250474.5 . height 34709 1 7 2709865.5 . volume 34709 1 8 224508.0 . height 34709 1 8 2189014.0 . volume 34709 1 9 22895.0 . height 34709 1 9 339660.5 . volume 34709 1 10 27563.0 . height 34709 1 10 292204.0 . volume 34709 1 11 311523.0 . height 34709 1 11 3657585.5 . volume 34709 1 12 206818.0 . height 34709 1 12 2033043.0 . volume 34709 1 13 157153.0 . height 34709 1 13 1680047.0 . volume 34709 1 14 27050.5 . height 34709 1 14 256246.0 . volume 34709 1 15 160904.5 . height 34709 1 15 2013967.5 . volume 34709 1 16 144842.0 . height 34709 1 16 1869236.0 . volume 34709 1 17 343000.5 . height 34709 1 17 3882592.5 . volume 34709 1 18 170127.0 . height 34709 1 18 1576651.0 . volume 34709 1 19 410015.0 . height 34709 1 19 5197710.5 . volume 34709 1 20 286638.5 . height 34709 1 20 3756941.5 . volume 34709 1 21 56396.5 . height 34709 1 21 463420.0 . volume 34709 1 22 51932.0 . height 34709 1 22 869013.0 . volume 34709 1 23 893426.0 . height 34709 1 23 8499776.5 . volume 34709 1 24 85604.0 . height 34709 1 24 707878.5 . volume 34709 1 25 670466.5 . height 34709 1 25 7024789.0 . volume 34709 1 26 502334.0 . height 34709 1 26 5614683.0 . volume 34709 1 27 100299.0 . height 34709 1 27 898768.5 . volume 34709 1 28 566307.5 . height 34709 1 28 7553072.5 . volume 34709 1 29 320392.5 . height 34709 1 29 4510857.0 . volume 34709 1 30 137409.0 . height 34709 1 30 1437842.0 . volume 34709 1 31 139977.0 . height 34709 1 31 1225735.5 . volume 34709 1 32 180094.5 . height 34709 1 32 1695711.5 . volume 34709 1 33 249433.5 . height 34709 1 33 3704781.0 . volume 34709 1 34 809475.0 . height 34709 1 34 8123648.5 . volume 34709 1 35 609346.0 . height 34709 1 35 6329828.5 . volume 34709 1 36 361166.5 . height 34709 1 36 4019241.5 . volume 34709 1 37 543034.5 . height 34709 1 37 7125907.0 . volume 34709 1 38 65359.5 . height 34709 1 38 846587.5 . volume 34709 1 39 599871.0 . height 34709 1 39 6430800.0 . volume 34709 1 40 112592.0 . height 34709 1 40 1100018.0 . volume 34709 1 41 296208.0 . height 34709 1 41 2839760.0 . volume 34709 1 42 211785.5 . height 34709 1 42 1066262.5 . volume 34709 1 43 471856.0 . height 34709 1 43 4778490.5 . volume 34709 1 44 104865.5 . height 34709 1 44 1270911.0 . volume 34709 1 45 166783.5 . height 34709 1 45 2879423.0 . volume 34709 1 46 584196.0 . height 34709 1 46 6664804.0 . volume 34709 1 47 617248.5 . height 34709 1 47 6335515.0 . volume 34709 1 48 447855.5 . height 34709 1 48 4796856.0 . volume 34709 1 49 1325592.0 . height 34709 1 49 10481092.5 . volume 34709 1 50 152123.0 . height 34709 1 50 1654503.0 . volume 34709 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.998 . 31.8797440537 . . . . . . . . . . . 34709 1 1 2 124.166 . 53.4935214241 . . . . . . . . . . . 34709 1 1 3 173.935 . 24.1138060665 . . . . . . . . . . . 34709 1 2 1 9.001 . 31.8793142125 . . . . . . . . . . . 34709 1 2 2 122.220 . 45.8971641657 . . . . . . . . . . . 34709 1 2 3 177.941 . 46.1100854337 . . . . . . . . . . . 34709 1 3 1 8.873 . 21.8289110797 . . . . . . . . . . . 34709 1 3 2 122.469 . 37.5596184265 . . . . . . . . . . . 34709 1 3 3 177.020 . 33.5306340980 . . . . . . . . . . . 34709 1 4 1 8.959 . 25.1924182939 . . . . . . . . . . . 34709 1 4 2 121.432 . 36.4262039633 . . . . . . . . . . . 34709 1 4 3 178.543 . 31.3017580678 . . . . . . . . . . . 34709 1 5 1 8.843 . 28.2748093781 . . . . . . . . . . . 34709 1 5 2 120.024 . 44.8153233276 . . . . . . . . . . . 34709 1 5 3 177.875 . 24.9450212642 . . . . . . . . . . . 34709 1 6 1 8.709 . 25.2723687530 . . . . . . . . . . . 34709 1 6 2 120.776 . 41.4181248753 . . . . . . . . . . . 34709 1 6 3 175.549 . 32.2139660481 . . . . . . . . . . . 34709 1 7 1 8.663 . 23.7553159570 . . . . . . . . . . . 34709 1 7 2 118.875 . 38.0049405024 . . . . . . . . . . . 34709 1 7 3 179.166 . 35.5373153095 . . . . . . . . . . . 34709 1 8 1 8.641 . 25.7497790208 . . . . . . . . . . . 34709 1 8 2 117.598 . 37.3346102493 . . . . . . . . . . . 34709 1 8 3 176.789 . 25.0226131056 . . . . . . . . . . . 34709 1 9 1 9.021 . 48.2383530276 . . . . . . . . . . . 34709 1 9 2 108.411 . 57.9677395638 . . . . . . . . . . . 34709 1 9 3 175.716 . 31.3658721056 . . . . . . . . . . . 34709 1 10 1 8.669 . 12.0934382496 . . . . . . . . . . . 34709 1 10 2 113.611 . 37.1727210844 . . . . . . . . . . . 34709 1 10 3 171.979 . 30.5645096132 . . . . . . . . . . . 34709 1 11 1 7.849 . 27.7651610219 . . . . . . . . . . . 34709 1 11 2 106.654 . 39.4121455753 . . . . . . . . . . . 34709 1 11 3 175.109 . 31.9043544469 . . . . . . . . . . . 34709 1 12 1 8.132 . 28.6173927966 . . . . . . . . . . . 34709 1 12 2 110.999 . 37.5486439650 . . . . . . . . . . . 34709 1 12 3 174.094 . 25.8322890097 . . . . . . . . . . . 34709 1 13 1 7.808 . 25.4070523219 . . . . . . . . . . . 34709 1 13 2 109.379 . 38.7498717187 . . . . . . . . . . . 34709 1 13 3 176.266 . 27.2827274097 . . . . . . . . . . . 34709 1 14 1 8.168 . 13.3898392411 . . . . . . . . . . . 34709 1 14 2 115.898 . 40.6076640715 . . . . . . . . . . . 34709 1 14 3 175.282 . 27.3913056034 . . . . . . . . . . . 34709 1 15 1 7.926 . 21.4817426886 . . . . . . . . . . . 34709 1 15 2 114.963 . 36.5307468096 . . . . . . . . . . . 34709 1 15 3 177.386 . 34.9063777545 . . . . . . . . . . . 34709 1 16 1 8.072 . 23.1529651869 . . . . . . . . . . . 34709 1 16 2 117.174 . 38.7082575760 . . . . . . . . . . . 34709 1 16 3 178.802 . 38.1673764290 . . . . . . . . . . . 34709 1 17 1 8.371 . 26.2286220926 . . . . . . . . . . . 34709 1 17 2 117.904 . 39.7403010025 . . . . . . . . . . . 34709 1 17 3 179.613 . 30.7053967474 . . . . . . . . . . . 34709 1 18 1 8.331 . 24.2118072876 . . . . . . . . . . . 34709 1 18 2 119.998 . 37.9304029755 . . . . . . . . . . . 34709 1 18 3 175.575 . 26.1759100218 . . . . . . . . . . . 34709 1 19 1 8.532 . 25.4291175024 . . . . . . . . . . . 34709 1 19 2 121.149 . 35.4272107934 . . . . . . . . . . . 34709 1 19 3 178.515 . 38.8162004150 . . . . . . . . . . . 34709 1 20 1 8.527 . 24.3057992251 . . . . . . . . . . . 34709 1 20 2 121.149 . 40.5462578366 . . . . . . . . . . . 34709 1 20 3 178.830 . 89.7790509201 . . . . . . . . . . . 34709 1 21 1 8.433 . 17.6355238320 . . . . . . . . . . . 34709 1 21 2 121.624 . 43.6682700829 . . . . . . . . . . . 34709 1 21 3 176.237 . 20.4252964992 . . . . . . . . . . . 34709 1 22 1 8.424 . 25.1775171331 . . . . . . . . . . . 34709 1 22 2 124.645 . 128.5195705090 . . . . . . . . . . . 34709 1 22 3 175.291 . 36.6171770900 . . . . . . . . . . . 34709 1 23 1 8.286 . 21.4330273552 . . . . . . . . . . . 34709 1 23 2 123.390 . 37.0884778199 . . . . . . . . . . . 34709 1 23 3 177.767 . 24.7124976614 . . . . . . . . . . . 34709 1 24 1 8.108 . 15.7986692000 . . . . . . . . . . . 34709 1 24 2 121.496 . 42.7913281487 . . . . . . . . . . . 34709 1 24 3 175.586 . 25.0321861250 . . . . . . . . . . . 34709 1 25 1 8.108 . 27.5141337742 . . . . . . . . . . . 34709 1 25 2 120.889 . 35.6445431912 . . . . . . . . . . . 34709 1 25 3 180.488 . 29.9413186463 . . . . . . . . . . . 34709 1 26 1 8.161 . 29.5088833988 . . . . . . . . . . . 34709 1 26 2 120.238 . 37.7853244017 . . . . . . . . . . . 34709 1 26 3 178.222 . 30.0150686839 . . . . . . . . . . . 34709 1 27 1 8.115 . 26.3349361438 . . . . . . . . . . . 34709 1 27 2 120.198 . 40.5631953001 . . . . . . . . . . . 34709 1 27 3 175.820 . 23.4117006699 . . . . . . . . . . . 34709 1 28 1 8.164 . 28.7724221813 . . . . . . . . . . . 34709 1 28 2 118.901 . 37.8469209453 . . . . . . . . . . . 34709 1 28 3 178.966 . 44.4473401363 . . . . . . . . . . . 34709 1 29 1 8.136 . 35.0475302517 . . . . . . . . . . . 34709 1 29 2 119.174 . 42.0185484436 . . . . . . . . . . . 34709 1 29 3 179.066 . 42.9251040908 . . . . . . . . . . . 34709 1 30 1 7.965 . 24.2610957426 . . . . . . . . . . . 34709 1 30 2 119.170 . 38.3058818028 . . . . . . . . . . . 34709 1 30 3 177.992 . 23.0936496964 . . . . . . . . . . . 34709 1 31 1 7.832 . 21.2404585077 . . . . . . . . . . . 34709 1 31 2 118.892 . 39.7509582829 . . . . . . . . . . . 34709 1 31 3 179.202 . 20.8757322542 . . . . . . . . . . . 34709 1 32 1 7.745 . 22.6629462445 . . . . . . . . . . . 34709 1 32 2 118.657 . 39.6144435953 . . . . . . . . . . . 34709 1 32 3 177.772 . 22.1988243040 . . . . . . . . . . . 34709 1 33 1 7.604 . 25.1437029605 . . . . . . . . . . . 34709 1 33 2 119.337 . 40.3841149269 . . . . . . . . . . . 34709 1 33 3 179.026 . 36.7323052444 . . . . . . . . . . . 34709 1 34 1 7.830 . 27.2109524637 . . . . . . . . . . . 34709 1 34 2 120.589 . 34.3405488046 . . . . . . . . . . . 34709 1 34 3 180.955 . 28.6948737320 . . . . . . . . . . . 34709 1 35 1 7.707 . 22.9156928569 . . . . . . . . . . . 34709 1 35 2 120.669 . 39.7153705786 . . . . . . . . . . . 34709 1 35 3 179.301 . 24.9450842446 . . . . . . . . . . . 34709 1 36 1 7.968 . 23.5154645800 . . . . . . . . . . . 34709 1 36 2 125.675 . 40.1259930569 . . . . . . . . . . . 34709 1 36 3 172.837 . 31.9781674649 . . . . . . . . . . . 34709 1 37 1 7.605 . 22.7374520486 . . . . . . . . . . . 34709 1 37 2 123.582 . 38.6316900908 . . . . . . . . . . . 34709 1 37 3 180.773 . 34.0374373027 . . . . . . . . . . . 34709 1 38 1 7.119 . 59.8015105446 . . . . . . . . . . . 34709 1 38 2 122.796 . 43.5061271732 . . . . . . . . . . . 34709 1 38 3 178.420 . 30.6072103181 . . . . . . . . . . . 34709 1 39 1 7.264 . 27.2909029227 . . . . . . . . . . . 34709 1 39 2 120.383 . 38.7526629112 . . . . . . . . . . . 34709 1 39 3 177.554 . 26.4134720559 . . . . . . . . . . . 34709 1 40 1 6.763 . 23.2105639047 . . . . . . . . . . . 34709 1 40 2 120.293 . 37.8958936864 . . . . . . . . . . . 34709 1 40 3 173.433 . 27.3079195660 . . . . . . . . . . . 34709 1 41 1 7.010 . 25.8646898956 . . . . . . . . . . . 34709 1 41 2 117.270 . 36.9178344603 . . . . . . . . . . . 34709 1 41 3 178.862 . 25.2432334146 . . . . . . . . . . . 34709 1 42 1 7.619 . 20.5246296667 . . . . . . . . . . . 34709 1 42 2 117.150 . 38.6401271045 . . . . . . . . . . . 34709 1 42 3 176.786 . 15.4586628812 . . . . . . . . . . . 34709 1 43 1 7.545 . 25.1543057095 . . . . . . . . . . . 34709 1 43 2 116.379 . 39.8092561445 . . . . . . . . . . . 34709 1 43 3 177.657 . 23.0847064809 . . . . . . . . . . . 34709 1 44 1 7.674 . 26.7126232585 . . . . . . . . . . . 34709 1 44 2 115.748 . 50.6626813044 . . . . . . . . . . . 34709 1 44 3 180.606 . 23.4314765126 . . . . . . . . . . . 34709 1 45 1 7.609 . 31.8374763379 . . . . . . . . . . . 34709 1 45 2 111.754 . 40.4720374906 . . . . . . . . . . . 34709 1 45 3 175.412 . 46.6412620496 . . . . . . . . . . . 34709 1 46 1 7.555 . 22.2422750121 . . . . . . . . . . . 34709 1 46 2 110.433 . 34.5599111606 . . . . . . . . . . . 34709 1 46 3 176.110 . 37.5882087553 . . . . . . . . . . . 34709 1 47 1 8.412 . 24.6341978847 . . . . . . . . . . . 34709 1 47 2 108.284 . 36.4243008775 . . . . . . . . . . . 34709 1 47 3 174.005 . 30.5898277303 . . . . . . . . . . . 34709 1 48 1 8.435 . 31.8185633261 . . . . . . . . . . . 34709 1 48 2 108.284 . 35.5274399786 . . . . . . . . . . . 34709 1 48 3 177.654 . 27.4307313280 . . . . . . . . . . . 34709 1 49 1 8.421 . 18.7711642231 . . . . . . . . . . . 34709 1 49 2 123.378 . 37.5062685880 . . . . . . . . . . . 34709 1 49 3 175.340 . 22.5755730017 . . . . . . . . . . . 34709 1 50 1 8.444 . 20.4810724273 . . . . . . . . . . . 34709 1 50 2 123.378 . 44.5655750351 . . . . . . . . . . . 34709 1 50 3 179.194 . 22.3241552817 . . . . . . . . . . . 34709 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.998 . . . . 1 1 32 MET H . . . . . . . . . . 1 . 34709 1 1 2 1 . . 124.166 . . . . 1 1 32 MET N . . . . . . . . . . 2 . 34709 1 1 3 1 . . 173.935 . . . . 1 1 32 MET C . . . . . . . . . . 332 . 34709 1 2 1 1 . . 9.001 . . . . 1 1 67 LEU H . . . . . . . . . . 3 . 34709 1 2 2 1 . . 122.220 . . . . 1 1 67 LEU N . . . . . . . . . . 4 . 34709 1 2 3 1 . . 177.941 . . . . 1 1 67 LEU C . . . . . . . . . . 334 . 34709 1 3 1 1 . . 8.873 . . . . 1 1 45 LEU H . . . . . . . . . . 5 . 34709 1 3 2 1 . . 122.469 . . . . 1 1 45 LEU N . . . . . . . . . . 6 . 34709 1 3 3 1 . . 177.020 . . . . 1 1 45 LEU C . . . . . . . . . . 336 . 34709 1 4 1 1 . . 8.959 . . . . 1 1 78 LYS H . . . . . . . . . . 7 . 34709 1 4 2 1 . . 121.432 . . . . 1 1 78 LYS N . . . . . . . . . . 8 . 34709 1 4 3 1 . . 178.543 . . . . 1 1 78 LYS C . . . . . . . . . . 337 . 34709 1 5 1 1 . . 8.843 . . . . 1 1 46 TRP H . . . . . . . . . . 9 . 34709 1 5 2 1 . . 120.024 . . . . 1 1 46 TRP N . . . . . . . . . . 10 . 34709 1 5 3 1 . . 177.875 . . . . 1 1 46 TRP C . . . . . . . . . . 338 . 34709 1 6 1 1 . . 8.709 . . . . 1 1 62 TRP H . . . . . . . . . . 11 . 34709 1 6 2 1 . . 120.776 . . . . 1 1 62 TRP N . . . . . . . . . . 12 . 34709 1 6 3 1 . . 175.549 . . . . 1 1 62 TRP C . . . . . . . . . . 339 . 34709 1 7 1 1 . . 8.663 . . . . 1 1 41 MET H . . . . . . . . . . 13 . 34709 1 7 2 1 . . 118.875 . . . . 1 1 41 MET N . . . . . . . . . . 14 . 34709 1 7 3 1 . . 179.166 . . . . 1 1 41 MET C . . . . . . . . . . 341 . 34709 1 8 1 1 . . 8.641 . . . . 1 1 49 VAL H . . . . . . . . . . 15 . 34709 1 8 2 1 . . 117.598 . . . . 1 1 49 VAL N . . . . . . . . . . 16 . 34709 1 8 3 1 . . 176.789 . . . . 1 1 49 VAL C . . . . . . . . . . 343 . 34709 1 9 1 1 . . 9.021 . . . . 1 1 35 GLY H . . . . . . . . . . 17 . 34709 1 9 2 1 . . 108.411 . . . . 1 1 35 GLY N . . . . . . . . . . 18 . 34709 1 9 3 1 . . 175.716 . . . . 1 1 35 GLY C . . . . . . . . . . 345 . 34709 1 10 1 1 . . 8.669 . . . . 1 1 71 THR H . . . . . . . . . . 19 . 34709 1 10 2 1 . . 113.611 . . . . 1 1 71 THR N . . . . . . . . . . 20 . 34709 1 10 3 1 . . 171.979 . . . . 1 1 71 THR C . . . . . . . . . . 347 . 34709 1 11 1 1 . . 7.849 . . . . 1 1 51 GLY H . . . . . . . . . . 23 . 34709 1 11 2 1 . . 106.654 . . . . 1 1 51 GLY N . . . . . . . . . . 24 . 34709 1 11 3 1 . . 175.109 . . . . 1 1 51 GLY C . . . . . . . . . . 348 . 34709 1 12 1 1 . . 8.132 . . . . 1 1 52 THR H . . . . . . . . . . 25 . 34709 1 12 2 1 . . 110.999 . . . . 1 1 52 THR N . . . . . . . . . . 26 . 34709 1 12 3 1 . . 174.094 . . . . 1 1 52 THR C . . . . . . . . . . 349 . 34709 1 13 1 1 . . 7.808 . . . . 1 1 43 GLY H . . . . . . . . . . 27 . 34709 1 13 2 1 . . 109.379 . . . . 1 1 43 GLY N . . . . . . . . . . 28 . 34709 1 13 3 1 . . 176.266 . . . . 1 1 43 GLY C . . . . . . . . . . 351 . 34709 1 14 3 1 . . 175.282 . . . . 1 1 21 THR C . . . . . . . . . . 352 . 34709 1 15 1 1 . . 7.926 . . . . 1 1 47 HIS H . . . . . . . . . . 31 . 34709 1 15 2 1 . . 114.963 . . . . 1 1 47 HIS N . . . . . . . . . . 32 . 34709 1 15 3 1 . . 177.386 . . . . 1 1 47 HIS C . . . . . . . . . . 353 . 34709 1 16 1 1 . . 8.072 . . . . 1 1 74 LEU H . . . . . . . . . . 33 . 34709 1 16 2 1 . . 117.174 . . . . 1 1 74 LEU N . . . . . . . . . . 34 . 34709 1 16 3 1 . . 178.802 . . . . 1 1 74 LEU C . . . . . . . . . . 354 . 34709 1 17 1 1 . . 8.371 . . . . 1 1 79 ARG H . . . . . . . . . . 35 . 34709 1 17 2 1 . . 117.904 . . . . 1 1 79 ARG N . . . . . . . . . . 36 . 34709 1 17 3 1 . . 179.613 . . . . 1 1 79 ARG C . . . . . . . . . . 355 . 34709 1 18 1 1 . . 8.331 . . . . 1 1 54 ARG H . . . . . . . . . . 37 . 34709 1 18 2 1 . . 119.998 . . . . 1 1 54 ARG N . . . . . . . . . . 38 . 34709 1 18 3 1 . . 175.575 . . . . 1 1 54 ARG C . . . . . . . . . . 356 . 34709 1 19 1 1 . . 8.532 . . . . 1 1 59 LYS H . . . . . . . . . . 41 . 34709 1 19 2 1 . . 121.149 . . . . 1 1 59 LYS N . . . . . . . . . . 42 . 34709 1 19 3 1 . . 178.515 . . . . 1 1 59 LYS C . . . . . . . . . . 358 . 34709 1 20 1 1 . . 8.527 . . . . 1 1 40 ARG H . . . . . . . . . . 438 . 34709 1 20 2 1 . . 121.149 . . . . 1 1 40 ARG N . . . . . . . . . . 439 . 34709 1 20 3 1 . . 178.830 . . . . 1 1 40 ARG C . . . . . . . . . . 359 . 34709 1 21 1 1 . . 8.433 . . . . 1 1 29 ARG H . . . . . . . . . . 43 . 34709 1 21 2 1 . . 121.624 . . . . 1 1 29 ARG N . . . . . . . . . . 44 . 34709 1 21 3 1 . . 176.237 . . . . 1 1 29 ARG C . . . . . . . . . . 362 . 34709 1 22 1 1 . . 8.424 . . . . 1 1 31 GLN H . . . . . . . . . . 47 . 34709 1 22 2 1 . . 124.645 . . . . 1 1 31 GLN N . . . . . . . . . . 48 . 34709 1 22 3 1 . . 175.291 . . . . 1 1 31 GLN C . . . . . . . . . . 363 . 34709 1 23 1 1 . . 8.286 . . . . 1 1 53 ALA H . . . . . . . . . . 51 . 34709 1 23 2 1 . . 123.390 . . . . 1 1 53 ALA N . . . . . . . . . . 52 . 34709 1 23 3 1 . . 177.767 . . . . 1 1 53 ALA C . . . . . . . . . . 364 . 34709 1 24 3 1 . . 175.586 . . . . 1 1 30 VAL C . . . . . . . . . . 365 . 34709 1 25 1 1 . . 8.108 . . . . 1 1 93 LYS H . . . . . . . . . . 184 . 34709 1 25 2 1 . . 120.889 . . . . 1 1 93 LYS N . . . . . . . . . . 185 . 34709 1 25 3 1 . . 180.488 . . . . 1 1 93 LYS C . . . . . . . . . . 366 . 34709 1 26 1 1 . . 8.161 . . . . 1 1 50 ALA H . . . . . . . . . . 59 . 34709 1 26 2 1 . . 120.238 . . . . 1 1 50 ALA N . . . . . . . . . . 60 . 34709 1 26 3 1 . . 178.222 . . . . 1 1 50 ALA C . . . . . . . . . . 367 . 34709 1 27 1 1 . . 8.115 . . . . 1 1 61 PHE H . . . . . . . . . . 61 . 34709 1 27 2 1 . . 120.198 . . . . 1 1 61 PHE N . . . . . . . . . . 62 . 34709 1 27 3 1 . . 175.820 . . . . 1 1 61 PHE C . . . . . . . . . . 368 . 34709 1 28 1 1 . . 8.164 . . . . 1 1 85 MET H . . . . . . . . . . 63 . 34709 1 28 2 1 . . 118.901 . . . . 1 1 85 MET N . . . . . . . . . . 64 . 34709 1 28 3 1 . . 178.966 . . . . 1 1 85 MET C . . . . . . . . . . 370 . 34709 1 29 1 1 . . 8.136 . . . . 1 1 42 MET H . . . . . . . . . . 65 . 34709 1 29 2 1 . . 119.174 . . . . 1 1 42 MET N . . . . . . . . . . 66 . 34709 1 29 3 1 . . 179.066 . . . . 1 1 42 MET C . . . . . . . . . . 350 . 34709 1 30 1 1 . . 7.965 . . . . 1 1 38 LEU H . . . . . . . . . . 67 . 34709 1 30 2 1 . . 119.170 . . . . 1 1 38 LEU N . . . . . . . . . . 68 . 34709 1 30 3 1 . . 177.992 . . . . 1 1 38 LEU C . . . . . . . . . . 371 . 34709 1 31 1 1 . . 7.832 . . . . 1 1 57 VAL H . . . . . . . . . . 69 . 34709 1 31 2 1 . . 118.892 . . . . 1 1 57 VAL N . . . . . . . . . . 70 . 34709 1 31 3 1 . . 179.202 . . . . 1 1 57 VAL C . . . . . . . . . . 373 . 34709 1 32 1 1 . . 7.745 . . . . 1 1 37 VAL H . . . . . . . . . . 71 . 34709 1 32 2 1 . . 118.657 . . . . 1 1 37 VAL N . . . . . . . . . . 72 . 34709 1 32 3 1 . . 177.772 . . . . 1 1 37 VAL C . . . . . . . . . . 374 . 34709 1 33 1 1 . . 7.604 . . . . 1 1 86 VAL H . . . . . . . . . . 73 . 34709 1 33 2 1 . . 119.337 . . . . 1 1 86 VAL N . . . . . . . . . . 74 . 34709 1 33 3 1 . . 179.026 . . . . 1 1 86 VAL C . . . . . . . . . . 375 . 34709 1 34 1 1 . . 7.830 . . . . 1 1 60 ALA H . . . . . . . . . . 75 . 34709 1 34 2 1 . . 120.589 . . . . 1 1 60 ALA N . . . . . . . . . . 76 . 34709 1 34 3 1 . . 180.955 . . . . 1 1 60 ALA C . . . . . . . . . . 376 . 34709 1 35 1 1 . . 7.707 . . . . 1 1 73 ALA H . . . . . . . . . . 77 . 34709 1 35 2 1 . . 120.669 . . . . 1 1 73 ALA N . . . . . . . . . . 78 . 34709 1 35 3 1 . . 179.301 . . . . 1 1 73 ALA C . . . . . . . . . . 377 . 34709 1 36 1 1 . . 7.968 . . . . 1 1 65 VAL H . . . . . . . . . . 79 . 34709 1 36 2 1 . . 125.675 . . . . 1 1 65 VAL N . . . . . . . . . . 80 . 34709 1 36 3 1 . . 172.837 . . . . 1 1 65 VAL C . . . . . . . . . . 378 . 34709 1 37 1 1 . . 7.605 . . . . 1 1 72 ALA H . . . . . . . . . . 81 . 34709 1 37 2 1 . . 123.582 . . . . 1 1 72 ALA N . . . . . . . . . . 82 . 34709 1 37 3 1 . . 180.773 . . . . 1 1 72 ALA C . . . . . . . . . . 379 . 34709 1 38 1 1 . . 7.119 . . . . 1 1 36 LEU H . . . . . . . . . . 83 . 34709 1 38 2 1 . . 122.796 . . . . 1 1 36 LEU N . . . . . . . . . . 84 . 34709 1 38 3 1 . . 178.420 . . . . 1 1 36 LEU C . . . . . . . . . . 380 . 34709 1 39 1 1 . . 7.264 . . . . 1 1 91 ARG H . . . . . . . . . . 85 . 34709 1 39 2 1 . . 120.383 . . . . 1 1 91 ARG N . . . . . . . . . . 86 . 34709 1 39 3 1 . . 177.554 . . . . 1 1 91 ARG C . . . . . . . . . . 381 . 34709 1 40 1 1 . . 6.763 . . . . 1 1 55 ASN H . . . . . . . . . . 87 . 34709 1 40 2 1 . . 120.293 . . . . 1 1 55 ASN N . . . . . . . . . . 88 . 34709 1 40 3 1 . . 173.433 . . . . 1 1 55 ASN C . . . . . . . . . . 382 . 34709 1 41 1 1 . . 7.010 . . . . 1 1 69 GLN H . . . . . . . . . . 89 . 34709 1 41 2 1 . . 117.270 . . . . 1 1 69 GLN N . . . . . . . . . . 90 . 34709 1 41 3 1 . . 178.862 . . . . 1 1 69 GLN C . . . . . . . . . . 384 . 34709 1 42 1 1 . . 7.619 . . . . 1 1 90 LYS H . . . . . . . . . . 91 . 34709 1 42 2 1 . . 117.150 . . . . 1 1 90 LYS N . . . . . . . . . . 92 . 34709 1 42 3 1 . . 176.786 . . . . 1 1 90 LYS C . . . . . . . . . . 385 . 34709 1 43 1 1 . . 7.545 . . . . 1 1 89 GLN H . . . . . . . . . . 93 . 34709 1 43 2 1 . . 116.379 . . . . 1 1 89 GLN N . . . . . . . . . . 94 . 34709 1 43 3 1 . . 177.657 . . . . 1 1 89 GLN C . . . . . . . . . . 387 . 34709 1 44 1 1 . . 7.674 . . . . 1 1 75 ARG H . . . . . . . . . . 95 . 34709 1 44 2 1 . . 115.748 . . . . 1 1 75 ARG N . . . . . . . . . . 96 . 34709 1 44 3 1 . . 180.606 . . . . 1 1 75 ARG C . . . . . . . . . . 388 . 34709 1 45 1 1 . . 7.609 . . . . 1 1 64 SER H . . . . . . . . . . 97 . 34709 1 45 2 1 . . 111.754 . . . . 1 1 64 SER N . . . . . . . . . . 98 . 34709 1 45 3 1 . . 175.412 . . . . 1 1 64 SER C . . . . . . . . . . 389 . 34709 1 46 1 1 . . 7.555 . . . . 1 1 63 ASN H . . . . . . . . . . 99 . 34709 1 46 2 1 . . 110.433 . . . . 1 1 63 ASN N . . . . . . . . . . 100 . 34709 1 46 3 1 . . 176.110 . . . . 1 1 63 ASN C . . . . . . . . . . 390 . 34709 1 47 1 1 . . 8.412 . . . . 1 1 92 GLY H . . . . . . . . . . 21 . 34709 1 47 2 1 . . 108.284 . . . . 1 1 92 GLY N . . . . . . . . . . 22 . 34709 1 47 3 1 . . 174.005 . . . . 1 1 92 GLY C . . . . . . . . . . 391 . 34709 1 48 1 1 . . 8.435 . . . . 1 1 87 GLY H . . . . . . . . . . 175 . 34709 1 48 2 1 . . 108.284 . . . . 1 1 87 GLY N . . . . . . . . . . 176 . 34709 1 48 3 1 . . 177.654 . . . . 1 1 87 GLY C . . . . . . . . . . 392 . 34709 1 49 1 1 . . 8.421 . . . . 1 1 27 GLN H . . . . . . . . . . 161 . 34709 1 49 2 1 . . 123.378 . . . . 1 1 27 GLN N . . . . . . . . . . 162 . 34709 1 49 3 1 . . 175.340 . . . . 1 1 27 GLN C . . . . . . . . . . 440 . 34709 1 50 1 1 . . 8.444 . . . . 1 1 20 GLU H . . . . . . . . . . 165 . 34709 1 50 2 1 . . 123.378 . . . . 1 1 20 GLU N . . . . . . . . . . 166 . 34709 1 50 3 1 . . 179.194 . . . . 1 1 20 GLU C . . . . . . . . . . 442 . 34709 1 stop_ save_