data_25688 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25688 _Entry.Title ; Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-02 _Entry.Accession_date 2015-07-02 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Young-Guen Park . . . . 25688 2 Min-Cheol Jung . . . . 25688 3 'Hee Sang' Song . . . . 25688 4 Ki-Woong Jeong . . . . 25688 5 Yangmee Kim . . . . 25688 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25688 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acyl carrier protein' . 25688 'Enterococcus faecalis' . 25688 'Fatty acid synthase' . 25688 'Nuclear magnetic resonance' . 25688 'Protein structure' . 25688 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25688 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 229 25688 '15N chemical shifts' 78 25688 '1H chemical shifts' 511 25688 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-12-07 . original BMRB . 25688 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25687 'Acyl Carrier Protein' 25688 PDB 2N50 'BMRB Entry Tracking System' 25688 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25688 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26631734 _Citation.Full_citation . _Citation.Title ; Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1692 _Citation.Page_last 1702 _Citation.Year 2016 _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 Young-Guen Park . . . . 25688 1 2 Min-Cheol Jung . . . . 25688 1 3 'Hee Sang' Song . . . . 25688 1 4 Ki-Woong Jeong . . . . 25688 1 5 Eunjung Bang . . . . 25688 1 6 Geum-Sook Hwang . . . . 25688 1 7 Yangmee Kim . . . . 25688 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25688 _Assembly.ID 1 _Assembly.Name 'Acyl Carrier Protein monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 entity 1 $entity A . yes native no no . . . 25688 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25688 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTREEVLQKVAKIISNHFDI EADQVTDQLNIKDDLNADSI SVMEFVLELEDEFGTEISDE DAEKIETVGAAVDYIVSNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _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 . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8707.609 _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 1 MET . 25688 1 2 2 THR . 25688 1 3 3 ARG . 25688 1 4 4 GLU . 25688 1 5 5 GLU . 25688 1 6 6 VAL . 25688 1 7 7 LEU . 25688 1 8 8 GLN . 25688 1 9 9 LYS . 25688 1 10 10 VAL . 25688 1 11 11 ALA . 25688 1 12 12 LYS . 25688 1 13 13 ILE . 25688 1 14 14 ILE . 25688 1 15 15 SER . 25688 1 16 16 ASN . 25688 1 17 17 HIS . 25688 1 18 18 PHE . 25688 1 19 19 ASP . 25688 1 20 20 ILE . 25688 1 21 21 GLU . 25688 1 22 22 ALA . 25688 1 23 23 ASP . 25688 1 24 24 GLN . 25688 1 25 25 VAL . 25688 1 26 26 THR . 25688 1 27 27 ASP . 25688 1 28 28 GLN . 25688 1 29 29 LEU . 25688 1 30 30 ASN . 25688 1 31 31 ILE . 25688 1 32 32 LYS . 25688 1 33 33 ASP . 25688 1 34 34 ASP . 25688 1 35 35 LEU . 25688 1 36 36 ASN . 25688 1 37 37 ALA . 25688 1 38 38 ASP . 25688 1 39 39 SER . 25688 1 40 40 ILE . 25688 1 41 41 SER . 25688 1 42 42 VAL . 25688 1 43 43 MET . 25688 1 44 44 GLU . 25688 1 45 45 PHE . 25688 1 46 46 VAL . 25688 1 47 47 LEU . 25688 1 48 48 GLU . 25688 1 49 49 LEU . 25688 1 50 50 GLU . 25688 1 51 51 ASP . 25688 1 52 52 GLU . 25688 1 53 53 PHE . 25688 1 54 54 GLY . 25688 1 55 55 THR . 25688 1 56 56 GLU . 25688 1 57 57 ILE . 25688 1 58 58 SER . 25688 1 59 59 ASP . 25688 1 60 60 GLU . 25688 1 61 61 ASP . 25688 1 62 62 ALA . 25688 1 63 63 GLU . 25688 1 64 64 LYS . 25688 1 65 65 ILE . 25688 1 66 66 GLU . 25688 1 67 67 THR . 25688 1 68 68 VAL . 25688 1 69 69 GLY . 25688 1 70 70 ALA . 25688 1 71 71 ALA . 25688 1 72 72 VAL . 25688 1 73 73 ASP . 25688 1 74 74 TYR . 25688 1 75 75 ILE . 25688 1 76 76 VAL . 25688 1 77 77 SER . 25688 1 78 78 ASN . 25688 1 79 79 SER . 25688 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25688 1 . THR 2 2 25688 1 . ARG 3 3 25688 1 . GLU 4 4 25688 1 . GLU 5 5 25688 1 . VAL 6 6 25688 1 . LEU 7 7 25688 1 . GLN 8 8 25688 1 . LYS 9 9 25688 1 . VAL 10 10 25688 1 . ALA 11 11 25688 1 . LYS 12 12 25688 1 . ILE 13 13 25688 1 . ILE 14 14 25688 1 . SER 15 15 25688 1 . ASN 16 16 25688 1 . HIS 17 17 25688 1 . PHE 18 18 25688 1 . ASP 19 19 25688 1 . ILE 20 20 25688 1 . GLU 21 21 25688 1 . ALA 22 22 25688 1 . ASP 23 23 25688 1 . GLN 24 24 25688 1 . VAL 25 25 25688 1 . THR 26 26 25688 1 . ASP 27 27 25688 1 . GLN 28 28 25688 1 . LEU 29 29 25688 1 . ASN 30 30 25688 1 . ILE 31 31 25688 1 . LYS 32 32 25688 1 . ASP 33 33 25688 1 . ASP 34 34 25688 1 . LEU 35 35 25688 1 . ASN 36 36 25688 1 . ALA 37 37 25688 1 . ASP 38 38 25688 1 . SER 39 39 25688 1 . ILE 40 40 25688 1 . SER 41 41 25688 1 . VAL 42 42 25688 1 . MET 43 43 25688 1 . GLU 44 44 25688 1 . PHE 45 45 25688 1 . VAL 46 46 25688 1 . LEU 47 47 25688 1 . GLU 48 48 25688 1 . LEU 49 49 25688 1 . GLU 50 50 25688 1 . ASP 51 51 25688 1 . GLU 52 52 25688 1 . PHE 53 53 25688 1 . GLY 54 54 25688 1 . THR 55 55 25688 1 . GLU 56 56 25688 1 . ILE 57 57 25688 1 . SER 58 58 25688 1 . ASP 59 59 25688 1 . GLU 60 60 25688 1 . ASP 61 61 25688 1 . ALA 62 62 25688 1 . GLU 63 63 25688 1 . LYS 64 64 25688 1 . ILE 65 65 25688 1 . GLU 66 66 25688 1 . THR 67 67 25688 1 . VAL 68 68 25688 1 . GLY 69 69 25688 1 . ALA 70 70 25688 1 . ALA 71 71 25688 1 . VAL 72 72 25688 1 . ASP 73 73 25688 1 . TYR 74 74 25688 1 . ILE 75 75 25688 1 . VAL 76 76 25688 1 . SER 77 77 25688 1 . ASN 78 78 25688 1 . SER 79 79 25688 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 25688 _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 1351 . organism . 'Enterococcus faecalis' firmicutes . . Bacteria Eubacteria Enterococcus faecalis . . . . . . . . . . . . . 25688 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 25688 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-11a . . . 25688 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_efACP-holo _Sample.Sf_category sample _Sample.Sf_framecode efACP-holo _Sample.Entry_ID 25688 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ENTITY '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . . . mM . . . . 25688 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 25688 1 3 Cacl2 'natural abundance' . . . . . . 5 . . mM . . . . 25688 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 25688 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25688 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25688 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 25688 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 . pH 25688 1 pressure 1 . atm 25688 1 temperature 25 . K 25688 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25688 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25688 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25688 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25688 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25688 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25688 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 25688 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 4 '3D HNCO' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 5 '3D HNCACB' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $efACP-holo isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25688 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25688 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25688 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25688 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25688 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25688 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25688 1 2 '2D 1H-1H NOESY' . . . 25688 1 3 '3D CBCA(CO)NH' . . . 25688 1 4 '3D HNCO' . . . 25688 1 5 '3D HNCACB' . . . 25688 1 6 '3D HCCH-TOCSY' . . . 25688 1 7 '3D 1H-15N NOESY' . . . 25688 1 8 '3D 1H-13C NOESY' . . . 25688 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 56.067 0.000 . . . . . A 1 MET CA . 25688 1 2 . 1 1 1 1 MET CB C 13 35.110 0.000 . . . . . A 1 MET CB . 25688 1 3 . 1 1 2 2 THR H H 1 9.030 0.011 . . . . . A 2 THR H . 25688 1 4 . 1 1 2 2 THR HA H 1 4.526 0.013 . . . . . A 2 THR HA . 25688 1 5 . 1 1 2 2 THR HB H 1 4.525 0.009 . . . . . A 2 THR HB . 25688 1 6 . 1 1 2 2 THR HG21 H 1 1.339 0.003 . . . . . A 2 THR HG21 . 25688 1 7 . 1 1 2 2 THR HG22 H 1 1.339 0.003 . . . . . A 2 THR HG22 . 25688 1 8 . 1 1 2 2 THR HG23 H 1 1.339 0.003 . . . . . A 2 THR HG23 . 25688 1 9 . 1 1 2 2 THR CA C 13 60.675 0.563 . . . . . A 2 THR CA . 25688 1 10 . 1 1 2 2 THR CB C 13 72.146 0.478 . . . . . A 2 THR CB . 25688 1 11 . 1 1 2 2 THR CG2 C 13 21.809 0.268 . . . . . A 2 THR CG2 . 25688 1 12 . 1 1 2 2 THR N N 15 115.001 0.034 . . . . . A 2 THR N . 25688 1 13 . 1 1 3 3 ARG H H 1 9.059 0.008 . . . . . A 3 ARG H . 25688 1 14 . 1 1 3 3 ARG HA H 1 3.637 0.012 . . . . . A 3 ARG HA . 25688 1 15 . 1 1 3 3 ARG HB2 H 1 1.860 0.005 . . . . . A 3 ARG HB2 . 25688 1 16 . 1 1 3 3 ARG HB3 H 1 1.424 0.008 . . . . . A 3 ARG HB3 . 25688 1 17 . 1 1 3 3 ARG HG2 H 1 1.711 0.007 . . . . . A 3 ARG HG2 . 25688 1 18 . 1 1 3 3 ARG HG3 H 1 1.711 0.007 . . . . . A 3 ARG HG3 . 25688 1 19 . 1 1 3 3 ARG HD2 H 1 3.197 0.009 . . . . . A 3 ARG HD2 . 25688 1 20 . 1 1 3 3 ARG HD3 H 1 3.157 0.008 . . . . . A 3 ARG HD3 . 25688 1 21 . 1 1 3 3 ARG CA C 13 60.732 0.170 . . . . . A 3 ARG CA . 25688 1 22 . 1 1 3 3 ARG CB C 13 29.347 0.215 . . . . . A 3 ARG CB . 25688 1 23 . 1 1 3 3 ARG CG C 13 29.223 0.118 . . . . . A 3 ARG CG . 25688 1 24 . 1 1 3 3 ARG CD C 13 42.874 0.064 . . . . . A 3 ARG CD . 25688 1 25 . 1 1 3 3 ARG N N 15 121.859 0.062 . . . . . A 3 ARG N . 25688 1 26 . 1 1 4 4 GLU H H 1 8.711 0.005 . . . . . A 4 GLU H . 25688 1 27 . 1 1 4 4 GLU HA H 1 3.974 0.012 . . . . . A 4 GLU HA . 25688 1 28 . 1 1 4 4 GLU HB2 H 1 2.085 0.005 . . . . . A 4 GLU HB2 . 25688 1 29 . 1 1 4 4 GLU HB3 H 1 1.931 0.002 . . . . . A 4 GLU HB3 . 25688 1 30 . 1 1 4 4 GLU HG2 H 1 2.542 0.002 . . . . . A 4 GLU HG2 . 25688 1 31 . 1 1 4 4 GLU HG3 H 1 2.542 0.002 . . . . . A 4 GLU HG3 . 25688 1 32 . 1 1 4 4 GLU CA C 13 60.239 0.505 . . . . . A 4 GLU CA . 25688 1 33 . 1 1 4 4 GLU CB C 13 29.380 0.268 . . . . . A 4 GLU CB . 25688 1 34 . 1 1 4 4 GLU CG C 13 36.793 0.000 . . . . . A 4 GLU CG . 25688 1 35 . 1 1 4 4 GLU N N 15 117.138 0.058 . . . . . A 4 GLU N . 25688 1 36 . 1 1 5 5 GLU H H 1 7.701 0.006 . . . . . A 5 GLU H . 25688 1 37 . 1 1 5 5 GLU HA H 1 4.056 0.021 . . . . . A 5 GLU HA . 25688 1 38 . 1 1 5 5 GLU HB2 H 1 2.345 0.007 . . . . . A 5 GLU HB2 . 25688 1 39 . 1 1 5 5 GLU HB3 H 1 2.030 0.005 . . . . . A 5 GLU HB3 . 25688 1 40 . 1 1 5 5 GLU HG2 H 1 2.634 0.024 . . . . . A 5 GLU HG2 . 25688 1 41 . 1 1 5 5 GLU HG3 H 1 2.634 0.024 . . . . . A 5 GLU HG3 . 25688 1 42 . 1 1 5 5 GLU CA C 13 59.592 0.202 . . . . . A 5 GLU CA . 25688 1 43 . 1 1 5 5 GLU CB C 13 30.197 0.246 . . . . . A 5 GLU CB . 25688 1 44 . 1 1 5 5 GLU CG C 13 36.903 0.105 . . . . . A 5 GLU CG . 25688 1 45 . 1 1 5 5 GLU N N 15 120.237 0.084 . . . . . A 5 GLU N . 25688 1 46 . 1 1 6 6 VAL H H 1 8.121 0.008 . . . . . A 6 VAL H . 25688 1 47 . 1 1 6 6 VAL HA H 1 3.734 0.016 . . . . . A 6 VAL HA . 25688 1 48 . 1 1 6 6 VAL HB H 1 2.195 0.011 . . . . . A 6 VAL HB . 25688 1 49 . 1 1 6 6 VAL HG11 H 1 0.830 0.010 . . . . . A 6 VAL HG11 . 25688 1 50 . 1 1 6 6 VAL HG12 H 1 0.830 0.010 . . . . . A 6 VAL HG12 . 25688 1 51 . 1 1 6 6 VAL HG13 H 1 0.830 0.010 . . . . . A 6 VAL HG13 . 25688 1 52 . 1 1 6 6 VAL HG21 H 1 1.010 0.010 . . . . . A 6 VAL HG21 . 25688 1 53 . 1 1 6 6 VAL HG22 H 1 1.010 0.010 . . . . . A 6 VAL HG22 . 25688 1 54 . 1 1 6 6 VAL HG23 H 1 1.010 0.010 . . . . . A 6 VAL HG23 . 25688 1 55 . 1 1 6 6 VAL CA C 13 67.696 0.405 . . . . . A 6 VAL CA . 25688 1 56 . 1 1 6 6 VAL CB C 13 31.300 0.235 . . . . . A 6 VAL CB . 25688 1 57 . 1 1 6 6 VAL CG1 C 13 23.345 0.119 . . . . . A 6 VAL CG1 . 25688 1 58 . 1 1 6 6 VAL CG2 C 13 21.498 0.047 . . . . . A 6 VAL CG2 . 25688 1 59 . 1 1 6 6 VAL N N 15 121.083 0.071 . . . . . A 6 VAL N . 25688 1 60 . 1 1 7 7 LEU H H 1 8.868 0.003 . . . . . A 7 LEU H . 25688 1 61 . 1 1 7 7 LEU HA H 1 3.940 0.011 . . . . . A 7 LEU HA . 25688 1 62 . 1 1 7 7 LEU HB2 H 1 2.014 0.005 . . . . . A 7 LEU HB2 . 25688 1 63 . 1 1 7 7 LEU HB3 H 1 1.550 0.015 . . . . . A 7 LEU HB3 . 25688 1 64 . 1 1 7 7 LEU HG H 1 1.547 0.007 . . . . . A 7 LEU HG . 25688 1 65 . 1 1 7 7 LEU HD11 H 1 0.939 0.007 . . . . . A 7 LEU HD11 . 25688 1 66 . 1 1 7 7 LEU HD12 H 1 0.939 0.007 . . . . . A 7 LEU HD12 . 25688 1 67 . 1 1 7 7 LEU HD13 H 1 0.939 0.007 . . . . . A 7 LEU HD13 . 25688 1 68 . 1 1 7 7 LEU HD21 H 1 0.780 0.005 . . . . . A 7 LEU HD21 . 25688 1 69 . 1 1 7 7 LEU HD22 H 1 0.780 0.005 . . . . . A 7 LEU HD22 . 25688 1 70 . 1 1 7 7 LEU HD23 H 1 0.780 0.005 . . . . . A 7 LEU HD23 . 25688 1 71 . 1 1 7 7 LEU CA C 13 58.970 0.318 . . . . . A 7 LEU CA . 25688 1 72 . 1 1 7 7 LEU CB C 13 41.053 0.257 . . . . . A 7 LEU CB . 25688 1 73 . 1 1 7 7 LEU CG C 13 25.570 0.000 . . . . . A 7 LEU CG . 25688 1 74 . 1 1 7 7 LEU CD1 C 13 23.680 0.194 . . . . . A 7 LEU CD1 . 25688 1 75 . 1 1 7 7 LEU N N 15 121.074 0.057 . . . . . A 7 LEU N . 25688 1 76 . 1 1 8 8 GLN H H 1 7.951 0.004 . . . . . A 8 GLN H . 25688 1 77 . 1 1 8 8 GLN HA H 1 4.045 0.008 . . . . . A 8 GLN HA . 25688 1 78 . 1 1 8 8 GLN HB2 H 1 2.196 0.013 . . . . . A 8 GLN HB2 . 25688 1 79 . 1 1 8 8 GLN HB3 H 1 2.196 0.013 . . . . . A 8 GLN HB3 . 25688 1 80 . 1 1 8 8 GLN HG2 H 1 2.599 0.005 . . . . . A 8 GLN HG2 . 25688 1 81 . 1 1 8 8 GLN HG3 H 1 2.599 0.005 . . . . . A 8 GLN HG3 . 25688 1 82 . 1 1 8 8 GLN CA C 13 59.336 0.159 . . . . . A 8 GLN CA . 25688 1 83 . 1 1 8 8 GLN CB C 13 28.779 0.096 . . . . . A 8 GLN CB . 25688 1 84 . 1 1 8 8 GLN CG C 13 34.155 0.056 . . . . . A 8 GLN CG . 25688 1 85 . 1 1 8 8 GLN N N 15 116.719 0.017 . . . . . A 8 GLN N . 25688 1 86 . 1 1 9 9 LYS H H 1 7.762 0.008 . . . . . A 9 LYS H . 25688 1 87 . 1 1 9 9 LYS HA H 1 4.178 0.011 . . . . . A 9 LYS HA . 25688 1 88 . 1 1 9 9 LYS HB2 H 1 2.214 0.005 . . . . . A 9 LYS HB2 . 25688 1 89 . 1 1 9 9 LYS HB3 H 1 1.945 0.005 . . . . . A 9 LYS HB3 . 25688 1 90 . 1 1 9 9 LYS HG2 H 1 1.451 0.015 . . . . . A 9 LYS HG2 . 25688 1 91 . 1 1 9 9 LYS HG3 H 1 1.451 0.015 . . . . . A 9 LYS HG3 . 25688 1 92 . 1 1 9 9 LYS HD2 H 1 1.733 0.014 . . . . . A 9 LYS HD2 . 25688 1 93 . 1 1 9 9 LYS HD3 H 1 1.733 0.014 . . . . . A 9 LYS HD3 . 25688 1 94 . 1 1 9 9 LYS HE2 H 1 3.707 0.020 . . . . . A 9 LYS HE2 . 25688 1 95 . 1 1 9 9 LYS HE3 H 1 3.707 0.020 . . . . . A 9 LYS HE3 . 25688 1 96 . 1 1 9 9 LYS CA C 13 59.793 0.285 . . . . . A 9 LYS CA . 25688 1 97 . 1 1 9 9 LYS CB C 13 33.575 0.143 . . . . . A 9 LYS CB . 25688 1 98 . 1 1 9 9 LYS CG C 13 25.545 0.258 . . . . . A 9 LYS CG . 25688 1 99 . 1 1 9 9 LYS CD C 13 25.810 0.073 . . . . . A 9 LYS CD . 25688 1 100 . 1 1 9 9 LYS N N 15 119.603 0.039 . . . . . A 9 LYS N . 25688 1 101 . 1 1 10 10 VAL H H 1 9.283 0.006 . . . . . A 10 VAL H . 25688 1 102 . 1 1 10 10 VAL HA H 1 3.716 0.023 . . . . . A 10 VAL HA . 25688 1 103 . 1 1 10 10 VAL HB H 1 2.228 0.008 . . . . . A 10 VAL HB . 25688 1 104 . 1 1 10 10 VAL HG11 H 1 0.827 0.005 . . . . . A 10 VAL HG11 . 25688 1 105 . 1 1 10 10 VAL HG12 H 1 0.827 0.005 . . . . . A 10 VAL HG12 . 25688 1 106 . 1 1 10 10 VAL HG13 H 1 0.827 0.005 . . . . . A 10 VAL HG13 . 25688 1 107 . 1 1 10 10 VAL HG21 H 1 1.073 0.026 . . . . . A 10 VAL HG21 . 25688 1 108 . 1 1 10 10 VAL HG22 H 1 1.073 0.026 . . . . . A 10 VAL HG22 . 25688 1 109 . 1 1 10 10 VAL HG23 H 1 1.073 0.026 . . . . . A 10 VAL HG23 . 25688 1 110 . 1 1 10 10 VAL CA C 13 67.706 0.199 . . . . . A 10 VAL CA . 25688 1 111 . 1 1 10 10 VAL CB C 13 31.544 0.153 . . . . . A 10 VAL CB . 25688 1 112 . 1 1 10 10 VAL CG1 C 13 23.349 0.214 . . . . . A 10 VAL CG1 . 25688 1 113 . 1 1 10 10 VAL CG2 C 13 21.510 0.031 . . . . . A 10 VAL CG2 . 25688 1 114 . 1 1 10 10 VAL N N 15 121.142 0.043 . . . . . A 10 VAL N . 25688 1 115 . 1 1 11 11 ALA H H 1 9.354 0.004 . . . . . A 11 ALA H . 25688 1 116 . 1 1 11 11 ALA HA H 1 3.979 0.011 . . . . . A 11 ALA HA . 25688 1 117 . 1 1 11 11 ALA HB1 H 1 1.617 0.005 . . . . . A 11 ALA HB1 . 25688 1 118 . 1 1 11 11 ALA HB2 H 1 1.617 0.005 . . . . . A 11 ALA HB2 . 25688 1 119 . 1 1 11 11 ALA HB3 H 1 1.617 0.005 . . . . . A 11 ALA HB3 . 25688 1 120 . 1 1 11 11 ALA CA C 13 56.217 0.260 . . . . . A 11 ALA CA . 25688 1 121 . 1 1 11 11 ALA CB C 13 17.867 0.401 . . . . . A 11 ALA CB . 25688 1 122 . 1 1 11 11 ALA N N 15 122.653 0.064 . . . . . A 11 ALA N . 25688 1 123 . 1 1 12 12 LYS H H 1 7.459 0.005 . . . . . A 12 LYS H . 25688 1 124 . 1 1 12 12 LYS HA H 1 4.037 0.013 . . . . . A 12 LYS HA . 25688 1 125 . 1 1 12 12 LYS HB2 H 1 2.105 0.005 . . . . . A 12 LYS HB2 . 25688 1 126 . 1 1 12 12 LYS HB3 H 1 1.997 0.013 . . . . . A 12 LYS HB3 . 25688 1 127 . 1 1 12 12 LYS HG2 H 1 1.592 0.013 . . . . . A 12 LYS HG2 . 25688 1 128 . 1 1 12 12 LYS HG3 H 1 1.452 0.010 . . . . . A 12 LYS HG3 . 25688 1 129 . 1 1 12 12 LYS HE2 H 1 2.993 0.013 . . . . . A 12 LYS HE2 . 25688 1 130 . 1 1 12 12 LYS HE3 H 1 2.993 0.013 . . . . . A 12 LYS HE3 . 25688 1 131 . 1 1 12 12 LYS CA C 13 59.282 0.128 . . . . . A 12 LYS CA . 25688 1 132 . 1 1 12 12 LYS CB C 13 32.022 0.136 . . . . . A 12 LYS CB . 25688 1 133 . 1 1 12 12 LYS CG C 13 25.246 0.130 . . . . . A 12 LYS CG . 25688 1 134 . 1 1 12 12 LYS CD C 13 29.169 0.000 . . . . . A 12 LYS CD . 25688 1 135 . 1 1 12 12 LYS N N 15 117.599 0.016 . . . . . A 12 LYS N . 25688 1 136 . 1 1 13 13 ILE H H 1 7.908 0.008 . . . . . A 13 ILE H . 25688 1 137 . 1 1 13 13 ILE HA H 1 3.929 0.015 . . . . . A 13 ILE HA . 25688 1 138 . 1 1 13 13 ILE HB H 1 2.232 0.012 . . . . . A 13 ILE HB . 25688 1 139 . 1 1 13 13 ILE HG12 H 1 1.982 0.005 . . . . . A 13 ILE HG12 . 25688 1 140 . 1 1 13 13 ILE HG13 H 1 1.212 0.013 . . . . . A 13 ILE HG13 . 25688 1 141 . 1 1 13 13 ILE HG21 H 1 1.188 0.005 . . . . . A 13 ILE HG21 . 25688 1 142 . 1 1 13 13 ILE HG22 H 1 1.188 0.005 . . . . . A 13 ILE HG22 . 25688 1 143 . 1 1 13 13 ILE HG23 H 1 1.188 0.005 . . . . . A 13 ILE HG23 . 25688 1 144 . 1 1 13 13 ILE HD11 H 1 0.844 0.006 . . . . . A 13 ILE HD11 . 25688 1 145 . 1 1 13 13 ILE HD12 H 1 0.844 0.006 . . . . . A 13 ILE HD12 . 25688 1 146 . 1 1 13 13 ILE HD13 H 1 0.844 0.006 . . . . . A 13 ILE HD13 . 25688 1 147 . 1 1 13 13 ILE CA C 13 66.132 0.246 . . . . . A 13 ILE CA . 25688 1 148 . 1 1 13 13 ILE CB C 13 38.785 0.178 . . . . . A 13 ILE CB . 25688 1 149 . 1 1 13 13 ILE CG1 C 13 28.887 0.082 . . . . . A 13 ILE CG1 . 25688 1 150 . 1 1 13 13 ILE CG2 C 13 18.325 0.082 . . . . . A 13 ILE CG2 . 25688 1 151 . 1 1 13 13 ILE CD1 C 13 14.694 0.022 . . . . . A 13 ILE CD1 . 25688 1 152 . 1 1 13 13 ILE N N 15 121.205 0.086 . . . . . A 13 ILE N . 25688 1 153 . 1 1 14 14 ILE H H 1 9.178 0.006 . . . . . A 14 ILE H . 25688 1 154 . 1 1 14 14 ILE HA H 1 3.885 0.021 . . . . . A 14 ILE HA . 25688 1 155 . 1 1 14 14 ILE HB H 1 2.373 0.013 . . . . . A 14 ILE HB . 25688 1 156 . 1 1 14 14 ILE HG12 H 1 1.514 0.016 . . . . . A 14 ILE HG12 . 25688 1 157 . 1 1 14 14 ILE HG13 H 1 1.361 0.020 . . . . . A 14 ILE HG13 . 25688 1 158 . 1 1 14 14 ILE HG21 H 1 0.737 0.010 . . . . . A 14 ILE HG21 . 25688 1 159 . 1 1 14 14 ILE HG22 H 1 0.737 0.010 . . . . . A 14 ILE HG22 . 25688 1 160 . 1 1 14 14 ILE HG23 H 1 0.737 0.010 . . . . . A 14 ILE HG23 . 25688 1 161 . 1 1 14 14 ILE HD11 H 1 0.334 0.012 . . . . . A 14 ILE HD11 . 25688 1 162 . 1 1 14 14 ILE HD12 H 1 0.334 0.012 . . . . . A 14 ILE HD12 . 25688 1 163 . 1 1 14 14 ILE HD13 H 1 0.334 0.012 . . . . . A 14 ILE HD13 . 25688 1 164 . 1 1 14 14 ILE CA C 13 64.169 0.239 . . . . . A 14 ILE CA . 25688 1 165 . 1 1 14 14 ILE CB C 13 36.055 0.147 . . . . . A 14 ILE CB . 25688 1 166 . 1 1 14 14 ILE CG1 C 13 29.061 0.058 . . . . . A 14 ILE CG1 . 25688 1 167 . 1 1 14 14 ILE CG2 C 13 18.079 0.047 . . . . . A 14 ILE CG2 . 25688 1 168 . 1 1 14 14 ILE CD1 C 13 12.584 0.047 . . . . . A 14 ILE CD1 . 25688 1 169 . 1 1 14 14 ILE N N 15 121.498 0.094 . . . . . A 14 ILE N . 25688 1 170 . 1 1 15 15 SER H H 1 8.297 0.009 . . . . . A 15 SER H . 25688 1 171 . 1 1 15 15 SER HA H 1 4.658 0.008 . . . . . A 15 SER HA . 25688 1 172 . 1 1 15 15 SER HB2 H 1 4.207 0.008 . . . . . A 15 SER HB2 . 25688 1 173 . 1 1 15 15 SER HB3 H 1 3.936 0.009 . . . . . A 15 SER HB3 . 25688 1 174 . 1 1 15 15 SER CA C 13 61.294 0.143 . . . . . A 15 SER CA . 25688 1 175 . 1 1 15 15 SER CB C 13 63.906 0.114 . . . . . A 15 SER CB . 25688 1 176 . 1 1 15 15 SER N N 15 115.799 0.022 . . . . . A 15 SER N . 25688 1 177 . 1 1 16 16 ASN H H 1 7.401 0.009 . . . . . A 16 ASN H . 25688 1 178 . 1 1 16 16 ASN HA H 1 4.805 0.007 . . . . . A 16 ASN HA . 25688 1 179 . 1 1 16 16 ASN HB2 H 1 2.695 0.010 . . . . . A 16 ASN HB2 . 25688 1 180 . 1 1 16 16 ASN HB3 H 1 2.099 0.006 . . . . . A 16 ASN HB3 . 25688 1 181 . 1 1 16 16 ASN HD21 H 1 6.658 0.007 . . . . . A 16 ASN HD21 . 25688 1 182 . 1 1 16 16 ASN HD22 H 1 6.530 0.046 . . . . . A 16 ASN HD22 . 25688 1 183 . 1 1 16 16 ASN CA C 13 54.562 0.000 . . . . . A 16 ASN CA . 25688 1 184 . 1 1 16 16 ASN CB C 13 39.930 0.126 . . . . . A 16 ASN CB . 25688 1 185 . 1 1 16 16 ASN N N 15 118.370 0.025 . . . . . A 16 ASN N . 25688 1 186 . 1 1 17 17 HIS H H 1 7.849 0.009 . . . . . A 17 HIS H . 25688 1 187 . 1 1 17 17 HIS HA H 1 4.354 0.010 . . . . . A 17 HIS HA . 25688 1 188 . 1 1 17 17 HIS HB2 H 1 2.560 0.007 . . . . . A 17 HIS HB2 . 25688 1 189 . 1 1 17 17 HIS HB3 H 1 2.560 0.007 . . . . . A 17 HIS HB3 . 25688 1 190 . 1 1 17 17 HIS HD2 H 1 7.427 0.000 . . . . . A 17 HIS HD2 . 25688 1 191 . 1 1 17 17 HIS HE1 H 1 8.478 0.002 . . . . . A 17 HIS HE1 . 25688 1 192 . 1 1 17 17 HIS CA C 13 57.164 0.262 . . . . . A 17 HIS CA . 25688 1 193 . 1 1 17 17 HIS CB C 13 31.465 0.194 . . . . . A 17 HIS CB . 25688 1 194 . 1 1 17 17 HIS CD2 C 13 7.424 0.002 . . . . . A 17 HIS CD2 . 25688 1 195 . 1 1 17 17 HIS N N 15 115.522 0.032 . . . . . A 17 HIS N . 25688 1 196 . 1 1 18 18 PHE H H 1 8.434 0.007 . . . . . A 18 PHE H . 25688 1 197 . 1 1 18 18 PHE HA H 1 4.960 0.004 . . . . . A 18 PHE HA . 25688 1 198 . 1 1 18 18 PHE HB2 H 1 3.279 0.009 . . . . . A 18 PHE HB2 . 25688 1 199 . 1 1 18 18 PHE HB3 H 1 2.595 0.007 . . . . . A 18 PHE HB3 . 25688 1 200 . 1 1 18 18 PHE HD1 H 1 7.477 0.003 . . . . . A 18 PHE HD1 . 25688 1 201 . 1 1 18 18 PHE HD2 H 1 7.477 0.003 . . . . . A 18 PHE HD2 . 25688 1 202 . 1 1 18 18 PHE HE1 H 1 6.803 0.003 . . . . . A 18 PHE HE1 . 25688 1 203 . 1 1 18 18 PHE HE2 H 1 6.803 0.003 . . . . . A 18 PHE HE2 . 25688 1 204 . 1 1 18 18 PHE HZ H 1 6.682 0.025 . . . . . A 18 PHE HZ . 25688 1 205 . 1 1 18 18 PHE CA C 13 56.635 0.211 . . . . . A 18 PHE CA . 25688 1 206 . 1 1 18 18 PHE CB C 13 41.815 0.137 . . . . . A 18 PHE CB . 25688 1 207 . 1 1 18 18 PHE N N 15 117.284 0.045 . . . . . A 18 PHE N . 25688 1 208 . 1 1 19 19 ASP H H 1 8.615 0.009 . . . . . A 19 ASP H . 25688 1 209 . 1 1 19 19 ASP HA H 1 4.732 0.009 . . . . . A 19 ASP HA . 25688 1 210 . 1 1 19 19 ASP HB2 H 1 2.893 0.009 . . . . . A 19 ASP HB2 . 25688 1 211 . 1 1 19 19 ASP HB3 H 1 2.575 0.007 . . . . . A 19 ASP HB3 . 25688 1 212 . 1 1 19 19 ASP CA C 13 54.196 0.286 . . . . . A 19 ASP CA . 25688 1 213 . 1 1 19 19 ASP CB C 13 38.993 0.204 . . . . . A 19 ASP CB . 25688 1 214 . 1 1 19 19 ASP N N 15 120.589 0.029 . . . . . A 19 ASP N . 25688 1 215 . 1 1 20 20 ILE H H 1 7.937 0.009 . . . . . A 20 ILE H . 25688 1 216 . 1 1 20 20 ILE HA H 1 4.411 0.014 . . . . . A 20 ILE HA . 25688 1 217 . 1 1 20 20 ILE HB H 1 1.684 0.011 . . . . . A 20 ILE HB . 25688 1 218 . 1 1 20 20 ILE HG12 H 1 1.472 0.004 . . . . . A 20 ILE HG12 . 25688 1 219 . 1 1 20 20 ILE HG13 H 1 1.227 0.010 . . . . . A 20 ILE HG13 . 25688 1 220 . 1 1 20 20 ILE HG21 H 1 0.556 0.015 . . . . . A 20 ILE HG21 . 25688 1 221 . 1 1 20 20 ILE HG22 H 1 0.556 0.015 . . . . . A 20 ILE HG22 . 25688 1 222 . 1 1 20 20 ILE HG23 H 1 0.556 0.015 . . . . . A 20 ILE HG23 . 25688 1 223 . 1 1 20 20 ILE HD11 H 1 0.708 0.021 . . . . . A 20 ILE HD11 . 25688 1 224 . 1 1 20 20 ILE HD12 H 1 0.708 0.021 . . . . . A 20 ILE HD12 . 25688 1 225 . 1 1 20 20 ILE HD13 H 1 0.708 0.021 . . . . . A 20 ILE HD13 . 25688 1 226 . 1 1 20 20 ILE CA C 13 60.044 0.171 . . . . . A 20 ILE CA . 25688 1 227 . 1 1 20 20 ILE CB C 13 40.521 0.123 . . . . . A 20 ILE CB . 25688 1 228 . 1 1 20 20 ILE CG1 C 13 28.057 0.063 . . . . . A 20 ILE CG1 . 25688 1 229 . 1 1 20 20 ILE CG2 C 13 16.447 0.099 . . . . . A 20 ILE CG2 . 25688 1 230 . 1 1 20 20 ILE CD1 C 13 14.694 0.044 . . . . . A 20 ILE CD1 . 25688 1 231 . 1 1 20 20 ILE N N 15 121.099 0.089 . . . . . A 20 ILE N . 25688 1 232 . 1 1 21 21 GLU H H 1 8.191 0.011 . . . . . A 21 GLU H . 25688 1 233 . 1 1 21 21 GLU HA H 1 4.388 0.015 . . . . . A 21 GLU HA . 25688 1 234 . 1 1 21 21 GLU HB2 H 1 1.855 0.037 . . . . . A 21 GLU HB2 . 25688 1 235 . 1 1 21 21 GLU HB3 H 1 1.855 0.037 . . . . . A 21 GLU HB3 . 25688 1 236 . 1 1 21 21 GLU HG2 H 1 2.306 0.007 . . . . . A 21 GLU HG2 . 25688 1 237 . 1 1 21 21 GLU HG3 H 1 2.306 0.007 . . . . . A 21 GLU HG3 . 25688 1 238 . 1 1 21 21 GLU CA C 13 56.847 0.116 . . . . . A 21 GLU CA . 25688 1 239 . 1 1 21 21 GLU CB C 13 30.645 0.419 . . . . . A 21 GLU CB . 25688 1 240 . 1 1 21 21 GLU CG C 13 36.527 0.051 . . . . . A 21 GLU CG . 25688 1 241 . 1 1 21 21 GLU N N 15 125.091 0.061 . . . . . A 21 GLU N . 25688 1 242 . 1 1 22 22 ALA H H 1 9.011 0.004 . . . . . A 22 ALA H . 25688 1 243 . 1 1 22 22 ALA HA H 1 3.891 0.011 . . . . . A 22 ALA HA . 25688 1 244 . 1 1 22 22 ALA HB1 H 1 1.418 0.008 . . . . . A 22 ALA HB1 . 25688 1 245 . 1 1 22 22 ALA HB2 H 1 1.418 0.008 . . . . . A 22 ALA HB2 . 25688 1 246 . 1 1 22 22 ALA HB3 H 1 1.418 0.008 . . . . . A 22 ALA HB3 . 25688 1 247 . 1 1 22 22 ALA CA C 13 56.073 0.300 . . . . . A 22 ALA CA . 25688 1 248 . 1 1 22 22 ALA CB C 13 18.004 0.190 . . . . . A 22 ALA CB . 25688 1 249 . 1 1 22 22 ALA N N 15 125.431 0.157 . . . . . A 22 ALA N . 25688 1 250 . 1 1 23 23 ASP H H 1 8.452 0.003 . . . . . A 23 ASP H . 25688 1 251 . 1 1 23 23 ASP HA H 1 4.388 0.016 . . . . . A 23 ASP HA . 25688 1 252 . 1 1 23 23 ASP HB2 H 1 2.767 0.025 . . . . . A 23 ASP HB2 . 25688 1 253 . 1 1 23 23 ASP HB3 H 1 2.244 0.019 . . . . . A 23 ASP HB3 . 25688 1 254 . 1 1 23 23 ASP CA C 13 55.718 0.266 . . . . . A 23 ASP CA . 25688 1 255 . 1 1 23 23 ASP CB C 13 40.072 0.185 . . . . . A 23 ASP CB . 25688 1 256 . 1 1 23 23 ASP N N 15 113.394 0.056 . . . . . A 23 ASP N . 25688 1 257 . 1 1 24 24 GLN H H 1 7.805 0.006 . . . . . A 24 GLN H . 25688 1 258 . 1 1 24 24 GLN HA H 1 4.319 0.012 . . . . . A 24 GLN HA . 25688 1 259 . 1 1 24 24 GLN HB2 H 1 2.312 0.008 . . . . . A 24 GLN HB2 . 25688 1 260 . 1 1 24 24 GLN HB3 H 1 2.096 0.004 . . . . . A 24 GLN HB3 . 25688 1 261 . 1 1 24 24 GLN HG2 H 1 2.368 0.011 . . . . . A 24 GLN HG2 . 25688 1 262 . 1 1 24 24 GLN HG3 H 1 2.368 0.011 . . . . . A 24 GLN HG3 . 25688 1 263 . 1 1 24 24 GLN CA C 13 55.293 0.128 . . . . . A 24 GLN CA . 25688 1 264 . 1 1 24 24 GLN CB C 13 29.495 0.146 . . . . . A 24 GLN CB . 25688 1 265 . 1 1 24 24 GLN CG C 13 34.274 0.085 . . . . . A 24 GLN CG . 25688 1 266 . 1 1 24 24 GLN N N 15 116.571 0.026 . . . . . A 24 GLN N . 25688 1 267 . 1 1 25 25 VAL H H 1 7.416 0.007 . . . . . A 25 VAL H . 25688 1 268 . 1 1 25 25 VAL HA H 1 3.603 0.011 . . . . . A 25 VAL HA . 25688 1 269 . 1 1 25 25 VAL HB H 1 2.312 0.013 . . . . . A 25 VAL HB . 25688 1 270 . 1 1 25 25 VAL HG11 H 1 1.023 0.021 . . . . . A 25 VAL HG11 . 25688 1 271 . 1 1 25 25 VAL HG12 H 1 0.881 0.007 . . . . . A 25 VAL HG12 . 25688 1 272 . 1 1 25 25 VAL HG13 H 1 1.023 0.021 . . . . . A 25 VAL HG13 . 25688 1 273 . 1 1 25 25 VAL HG21 H 1 0.930 0.003 . . . . . A 25 VAL HG21 . 25688 1 274 . 1 1 25 25 VAL HG22 H 1 0.930 0.003 . . . . . A 25 VAL HG22 . 25688 1 275 . 1 1 25 25 VAL HG23 H 1 0.930 0.003 . . . . . A 25 VAL HG23 . 25688 1 276 . 1 1 25 25 VAL CA C 13 64.923 0.245 . . . . . A 25 VAL CA . 25688 1 277 . 1 1 25 25 VAL CB C 13 31.708 0.150 . . . . . A 25 VAL CB . 25688 1 278 . 1 1 25 25 VAL CG1 C 13 22.839 0.122 . . . . . A 25 VAL CG1 . 25688 1 279 . 1 1 25 25 VAL CG2 C 13 21.285 0.020 . . . . . A 25 VAL CG2 . 25688 1 280 . 1 1 25 25 VAL N N 15 121.068 0.051 . . . . . A 25 VAL N . 25688 1 281 . 1 1 26 26 THR H H 1 6.819 0.007 . . . . . A 26 THR H . 25688 1 282 . 1 1 26 26 THR HA H 1 4.740 0.010 . . . . . A 26 THR HA . 25688 1 283 . 1 1 26 26 THR HB H 1 4.508 0.008 . . . . . A 26 THR HB . 25688 1 284 . 1 1 26 26 THR HG21 H 1 1.146 0.007 . . . . . A 26 THR HG21 . 25688 1 285 . 1 1 26 26 THR HG22 H 1 1.146 0.007 . . . . . A 26 THR HG22 . 25688 1 286 . 1 1 26 26 THR HG23 H 1 1.146 0.007 . . . . . A 26 THR HG23 . 25688 1 287 . 1 1 26 26 THR CA C 13 58.834 0.724 . . . . . A 26 THR CA . 25688 1 288 . 1 1 26 26 THR CB C 13 72.672 0.193 . . . . . A 26 THR CB . 25688 1 289 . 1 1 26 26 THR CG2 C 13 21.349 0.234 . . . . . A 26 THR CG2 . 25688 1 290 . 1 1 26 26 THR N N 15 116.219 0.032 . . . . . A 26 THR N . 25688 1 291 . 1 1 27 27 ASP H H 1 8.717 0.006 . . . . . A 27 ASP H . 25688 1 292 . 1 1 27 27 ASP HA H 1 4.018 0.010 . . . . . A 27 ASP HA . 25688 1 293 . 1 1 27 27 ASP HB2 H 1 2.545 0.010 . . . . . A 27 ASP HB2 . 25688 1 294 . 1 1 27 27 ASP HB3 H 1 2.545 0.010 . . . . . A 27 ASP HB3 . 25688 1 295 . 1 1 27 27 ASP CA C 13 56.643 0.185 . . . . . A 27 ASP CA . 25688 1 296 . 1 1 27 27 ASP CB C 13 41.696 0.206 . . . . . A 27 ASP CB . 25688 1 297 . 1 1 27 27 ASP N N 15 117.482 0.038 . . . . . A 27 ASP N . 25688 1 298 . 1 1 28 28 GLN H H 1 7.781 0.004 . . . . . A 28 GLN H . 25688 1 299 . 1 1 28 28 GLN HA H 1 4.164 0.012 . . . . . A 28 GLN HA . 25688 1 300 . 1 1 28 28 GLN HB2 H 1 2.173 0.006 . . . . . A 28 GLN HB2 . 25688 1 301 . 1 1 28 28 GLN HB3 H 1 1.949 0.006 . . . . . A 28 GLN HB3 . 25688 1 302 . 1 1 28 28 GLN HG2 H 1 2.377 0.020 . . . . . A 28 GLN HG2 . 25688 1 303 . 1 1 28 28 GLN HG3 H 1 2.377 0.020 . . . . . A 28 GLN HG3 . 25688 1 304 . 1 1 28 28 GLN CA C 13 56.556 0.176 . . . . . A 28 GLN CA . 25688 1 305 . 1 1 28 28 GLN CB C 13 28.919 0.258 . . . . . A 28 GLN CB . 25688 1 306 . 1 1 28 28 GLN CG C 13 34.212 0.005 . . . . . A 28 GLN CG . 25688 1 307 . 1 1 28 28 GLN N N 15 114.554 0.046 . . . . . A 28 GLN N . 25688 1 308 . 1 1 29 29 LEU H H 1 7.133 0.008 . . . . . A 29 LEU H . 25688 1 309 . 1 1 29 29 LEU HA H 1 3.992 0.009 . . . . . A 29 LEU HA . 25688 1 310 . 1 1 29 29 LEU HB2 H 1 1.724 0.025 . . . . . A 29 LEU HB2 . 25688 1 311 . 1 1 29 29 LEU HB3 H 1 1.638 0.007 . . . . . A 29 LEU HB3 . 25688 1 312 . 1 1 29 29 LEU CA C 13 56.911 0.186 . . . . . A 29 LEU CA . 25688 1 313 . 1 1 29 29 LEU CB C 13 42.095 0.171 . . . . . A 29 LEU CB . 25688 1 314 . 1 1 29 29 LEU N N 15 121.505 0.027 . . . . . A 29 LEU N . 25688 1 315 . 1 1 30 30 ASN H H 1 9.634 0.004 . . . . . A 30 ASN H . 25688 1 316 . 1 1 30 30 ASN HA H 1 4.972 0.010 . . . . . A 30 ASN HA . 25688 1 317 . 1 1 30 30 ASN HB2 H 1 2.766 0.007 . . . . . A 30 ASN HB2 . 25688 1 318 . 1 1 30 30 ASN HB3 H 1 2.579 0.005 . . . . . A 30 ASN HB3 . 25688 1 319 . 1 1 30 30 ASN HD21 H 1 7.799 0.007 . . . . . A 30 ASN HD21 . 25688 1 320 . 1 1 30 30 ASN CA C 13 52.906 0.184 . . . . . A 30 ASN CA . 25688 1 321 . 1 1 30 30 ASN CB C 13 40.703 0.173 . . . . . A 30 ASN CB . 25688 1 322 . 1 1 30 30 ASN N N 15 127.369 0.132 . . . . . A 30 ASN N . 25688 1 323 . 1 1 31 31 ILE H H 1 8.245 0.010 . . . . . A 31 ILE H . 25688 1 324 . 1 1 31 31 ILE HA H 1 3.123 0.016 . . . . . A 31 ILE HA . 25688 1 325 . 1 1 31 31 ILE HB H 1 1.403 0.014 . . . . . A 31 ILE HB . 25688 1 326 . 1 1 31 31 ILE HG12 H 1 1.155 0.007 . . . . . A 31 ILE HG12 . 25688 1 327 . 1 1 31 31 ILE HG13 H 1 0.641 0.009 . . . . . A 31 ILE HG13 . 25688 1 328 . 1 1 31 31 ILE HG21 H 1 0.292 0.008 . . . . . A 31 ILE HG21 . 25688 1 329 . 1 1 31 31 ILE HG22 H 1 0.292 0.008 . . . . . A 31 ILE HG22 . 25688 1 330 . 1 1 31 31 ILE HG23 H 1 0.292 0.008 . . . . . A 31 ILE HG23 . 25688 1 331 . 1 1 31 31 ILE CA C 13 65.078 0.161 . . . . . A 31 ILE CA . 25688 1 332 . 1 1 31 31 ILE CB C 13 37.818 0.131 . . . . . A 31 ILE CB . 25688 1 333 . 1 1 31 31 ILE CG1 C 13 27.953 0.092 . . . . . A 31 ILE CG1 . 25688 1 334 . 1 1 31 31 ILE CG2 C 13 17.502 0.066 . . . . . A 31 ILE CG2 . 25688 1 335 . 1 1 31 31 ILE CD1 C 13 13.267 0.106 . . . . . A 31 ILE CD1 . 25688 1 336 . 1 1 31 31 ILE N N 15 125.769 0.115 . . . . . A 31 ILE N . 25688 1 337 . 1 1 32 32 LYS H H 1 8.087 0.008 . . . . . A 32 LYS H . 25688 1 338 . 1 1 32 32 LYS HA H 1 4.083 0.021 . . . . . A 32 LYS HA . 25688 1 339 . 1 1 32 32 LYS HB2 H 1 1.832 0.010 . . . . . A 32 LYS HB2 . 25688 1 340 . 1 1 32 32 LYS HB3 H 1 1.781 0.013 . . . . . A 32 LYS HB3 . 25688 1 341 . 1 1 32 32 LYS HG2 H 1 1.458 0.021 . . . . . A 32 LYS HG2 . 25688 1 342 . 1 1 32 32 LYS HG3 H 1 1.458 0.021 . . . . . A 32 LYS HG3 . 25688 1 343 . 1 1 32 32 LYS HD2 H 1 1.311 0.012 . . . . . A 32 LYS HD2 . 25688 1 344 . 1 1 32 32 LYS HD3 H 1 1.311 0.012 . . . . . A 32 LYS HD3 . 25688 1 345 . 1 1 32 32 LYS HE2 H 1 2.985 0.009 . . . . . A 32 LYS HE2 . 25688 1 346 . 1 1 32 32 LYS HE3 H 1 2.985 0.009 . . . . . A 32 LYS HE3 . 25688 1 347 . 1 1 32 32 LYS CA C 13 59.430 0.156 . . . . . A 32 LYS CA . 25688 1 348 . 1 1 32 32 LYS CB C 13 32.632 0.124 . . . . . A 32 LYS CB . 25688 1 349 . 1 1 32 32 LYS CG C 13 29.482 0.188 . . . . . A 32 LYS CG . 25688 1 350 . 1 1 32 32 LYS CD C 13 25.446 0.059 . . . . . A 32 LYS CD . 25688 1 351 . 1 1 32 32 LYS N N 15 117.526 0.025 . . . . . A 32 LYS N . 25688 1 352 . 1 1 33 33 ASP H H 1 8.411 0.004 . . . . . A 33 ASP H . 25688 1 353 . 1 1 33 33 ASP HA H 1 4.485 0.008 . . . . . A 33 ASP HA . 25688 1 354 . 1 1 33 33 ASP HB2 H 1 2.649 0.008 . . . . . A 33 ASP HB2 . 25688 1 355 . 1 1 33 33 ASP HB3 H 1 2.203 0.008 . . . . . A 33 ASP HB3 . 25688 1 356 . 1 1 33 33 ASP CA C 13 56.442 0.224 . . . . . A 33 ASP CA . 25688 1 357 . 1 1 33 33 ASP CB C 13 41.081 0.197 . . . . . A 33 ASP CB . 25688 1 358 . 1 1 33 33 ASP N N 15 117.165 0.036 . . . . . A 33 ASP N . 25688 1 359 . 1 1 34 34 ASP H H 1 8.419 0.007 . . . . . A 34 ASP H . 25688 1 360 . 1 1 34 34 ASP HA H 1 4.779 0.007 . . . . . A 34 ASP HA . 25688 1 361 . 1 1 34 34 ASP HB2 H 1 2.855 0.017 . . . . . A 34 ASP HB2 . 25688 1 362 . 1 1 34 34 ASP HB3 H 1 2.592 0.005 . . . . . A 34 ASP HB3 . 25688 1 363 . 1 1 34 34 ASP CA C 13 56.825 0.002 . . . . . A 34 ASP CA . 25688 1 364 . 1 1 34 34 ASP CB C 13 41.631 0.166 . . . . . A 34 ASP CB . 25688 1 365 . 1 1 34 34 ASP N N 15 115.976 0.035 . . . . . A 34 ASP N . 25688 1 366 . 1 1 35 35 LEU H H 1 6.650 0.012 . . . . . A 35 LEU H . 25688 1 367 . 1 1 35 35 LEU HA H 1 4.455 0.008 . . . . . A 35 LEU HA . 25688 1 368 . 1 1 35 35 LEU HB2 H 1 1.765 0.004 . . . . . A 35 LEU HB2 . 25688 1 369 . 1 1 35 35 LEU HB3 H 1 1.166 0.008 . . . . . A 35 LEU HB3 . 25688 1 370 . 1 1 35 35 LEU HG H 1 0.160 0.008 . . . . . A 35 LEU HG . 25688 1 371 . 1 1 35 35 LEU HD11 H 1 0.621 0.010 . . . . . A 35 LEU HD11 . 25688 1 372 . 1 1 35 35 LEU HD12 H 1 0.621 0.010 . . . . . A 35 LEU HD12 . 25688 1 373 . 1 1 35 35 LEU HD13 H 1 0.621 0.010 . . . . . A 35 LEU HD13 . 25688 1 374 . 1 1 35 35 LEU CA C 13 53.991 0.285 . . . . . A 35 LEU CA . 25688 1 375 . 1 1 35 35 LEU CB C 13 40.522 0.155 . . . . . A 35 LEU CB . 25688 1 376 . 1 1 35 35 LEU CG C 13 25.443 0.039 . . . . . A 35 LEU CG . 25688 1 377 . 1 1 35 35 LEU CD1 C 13 22.765 0.091 . . . . . A 35 LEU CD1 . 25688 1 378 . 1 1 35 35 LEU N N 15 114.532 0.035 . . . . . A 35 LEU N . 25688 1 379 . 1 1 36 36 ASN H H 1 7.237 0.005 . . . . . A 36 ASN H . 25688 1 380 . 1 1 36 36 ASN HA H 1 4.533 0.015 . . . . . A 36 ASN HA . 25688 1 381 . 1 1 36 36 ASN HB2 H 1 3.038 0.008 . . . . . A 36 ASN HB2 . 25688 1 382 . 1 1 36 36 ASN HB3 H 1 2.732 0.009 . . . . . A 36 ASN HB3 . 25688 1 383 . 1 1 36 36 ASN HD21 H 1 7.586 0.012 . . . . . A 36 ASN HD21 . 25688 1 384 . 1 1 36 36 ASN HD22 H 1 7.586 0.012 . . . . . A 36 ASN HD22 . 25688 1 385 . 1 1 36 36 ASN CA C 13 54.018 0.236 . . . . . A 36 ASN CA . 25688 1 386 . 1 1 36 36 ASN CB C 13 37.197 0.175 . . . . . A 36 ASN CB . 25688 1 387 . 1 1 36 36 ASN N N 15 114.878 0.056 . . . . . A 36 ASN N . 25688 1 388 . 1 1 37 37 ALA H H 1 7.625 0.009 . . . . . A 37 ALA H . 25688 1 389 . 1 1 37 37 ALA HA H 1 4.389 0.008 . . . . . A 37 ALA HA . 25688 1 390 . 1 1 37 37 ALA HB1 H 1 1.192 0.005 . . . . . A 37 ALA HB1 . 25688 1 391 . 1 1 37 37 ALA HB2 H 1 1.192 0.005 . . . . . A 37 ALA HB2 . 25688 1 392 . 1 1 37 37 ALA HB3 H 1 1.192 0.005 . . . . . A 37 ALA HB3 . 25688 1 393 . 1 1 37 37 ALA CA C 13 53.633 0.235 . . . . . A 37 ALA CA . 25688 1 394 . 1 1 37 37 ALA CB C 13 21.874 0.145 . . . . . A 37 ALA CB . 25688 1 395 . 1 1 37 37 ALA N N 15 119.952 0.063 . . . . . A 37 ALA N . 25688 1 396 . 1 1 38 38 ASP H H 1 8.186 0.011 . . . . . A 38 ASP H . 25688 1 397 . 1 1 38 38 ASP HA H 1 4.784 0.007 . . . . . A 38 ASP HA . 25688 1 398 . 1 1 38 38 ASP HB2 H 1 3.202 0.025 . . . . . A 38 ASP HB2 . 25688 1 399 . 1 1 38 38 ASP HB3 H 1 2.867 0.012 . . . . . A 38 ASP HB3 . 25688 1 400 . 1 1 38 38 ASP CA C 13 52.822 0.000 . . . . . A 38 ASP CA . 25688 1 401 . 1 1 38 38 ASP CB C 13 41.926 0.142 . . . . . A 38 ASP CB . 25688 1 402 . 1 1 38 38 ASP N N 15 121.225 0.023 . . . . . A 38 ASP N . 25688 1 403 . 1 1 39 39 SER H H 1 8.919 0.073 . . . . . A 39 SER H . 25688 1 404 . 1 1 39 39 SER HA H 1 4.138 0.055 . . . . . A 39 SER HA . 25688 1 405 . 1 1 39 39 SER HB2 H 1 4.097 0.037 . . . . . A 39 SER HB2 . 25688 1 406 . 1 1 39 39 SER HB3 H 1 4.097 0.037 . . . . . A 39 SER HB3 . 25688 1 407 . 1 1 39 39 SER CA C 13 63.220 0.000 . . . . . A 39 SER CA . 25688 1 408 . 1 1 39 39 SER N N 15 113.722 0.016 . . . . . A 39 SER N . 25688 1 409 . 1 1 40 40 ILE H H 1 7.844 0.037 . . . . . A 40 ILE H . 25688 1 410 . 1 1 40 40 ILE HA H 1 3.904 0.014 . . . . . A 40 ILE HA . 25688 1 411 . 1 1 40 40 ILE HB H 1 2.053 0.010 . . . . . A 40 ILE HB . 25688 1 412 . 1 1 40 40 ILE HG12 H 1 1.613 0.032 . . . . . A 40 ILE HG12 . 25688 1 413 . 1 1 40 40 ILE HG13 H 1 1.247 0.013 . . . . . A 40 ILE HG13 . 25688 1 414 . 1 1 40 40 ILE HG21 H 1 0.912 0.005 . . . . . A 40 ILE HG21 . 25688 1 415 . 1 1 40 40 ILE HG22 H 1 0.912 0.005 . . . . . A 40 ILE HG22 . 25688 1 416 . 1 1 40 40 ILE HG23 H 1 0.912 0.005 . . . . . A 40 ILE HG23 . 25688 1 417 . 1 1 40 40 ILE HD11 H 1 0.909 0.003 . . . . . A 40 ILE HD11 . 25688 1 418 . 1 1 40 40 ILE HD12 H 1 0.909 0.003 . . . . . A 40 ILE HD12 . 25688 1 419 . 1 1 40 40 ILE HD13 H 1 0.909 0.003 . . . . . A 40 ILE HD13 . 25688 1 420 . 1 1 40 40 ILE CA C 13 64.350 0.289 . . . . . A 40 ILE CA . 25688 1 421 . 1 1 40 40 ILE CB C 13 37.141 0.316 . . . . . A 40 ILE CB . 25688 1 422 . 1 1 40 40 ILE CG1 C 13 28.903 0.148 . . . . . A 40 ILE CG1 . 25688 1 423 . 1 1 40 40 ILE CG2 C 13 17.465 0.195 . . . . . A 40 ILE CG2 . 25688 1 424 . 1 1 40 40 ILE CD1 C 13 12.595 0.015 . . . . . A 40 ILE CD1 . 25688 1 425 . 1 1 40 40 ILE N N 15 123.493 0.532 . . . . . A 40 ILE N . 25688 1 426 . 1 1 41 41 SER H H 1 8.381 0.018 . . . . . A 41 SER H . 25688 1 427 . 1 1 41 41 SER HA H 1 4.398 0.017 . . . . . A 41 SER HA . 25688 1 428 . 1 1 41 41 SER HB2 H 1 4.050 0.044 . . . . . A 41 SER HB2 . 25688 1 429 . 1 1 41 41 SER HB3 H 1 4.050 0.044 . . . . . A 41 SER HB3 . 25688 1 430 . 1 1 41 41 SER CA C 13 62.204 0.401 . . . . . A 41 SER CA . 25688 1 431 . 1 1 41 41 SER CB C 13 63.445 0.481 . . . . . A 41 SER CB . 25688 1 432 . 1 1 41 41 SER N N 15 117.881 0.031 . . . . . A 41 SER N . 25688 1 433 . 1 1 42 42 VAL H H 1 8.336 0.021 . . . . . A 42 VAL H . 25688 1 434 . 1 1 42 42 VAL HA H 1 3.737 0.013 . . . . . A 42 VAL HA . 25688 1 435 . 1 1 42 42 VAL HB H 1 2.146 0.020 . . . . . A 42 VAL HB . 25688 1 436 . 1 1 42 42 VAL HG11 H 1 0.992 0.013 . . . . . A 42 VAL HG11 . 25688 1 437 . 1 1 42 42 VAL HG12 H 1 0.992 0.013 . . . . . A 42 VAL HG12 . 25688 1 438 . 1 1 42 42 VAL HG13 H 1 0.992 0.013 . . . . . A 42 VAL HG13 . 25688 1 439 . 1 1 42 42 VAL CA C 13 67.910 0.187 . . . . . A 42 VAL CA . 25688 1 440 . 1 1 42 42 VAL CB C 13 31.642 0.170 . . . . . A 42 VAL CB . 25688 1 441 . 1 1 42 42 VAL CG1 C 13 23.234 0.162 . . . . . A 42 VAL CG1 . 25688 1 442 . 1 1 42 42 VAL N N 15 121.117 0.066 . . . . . A 42 VAL N . 25688 1 443 . 1 1 43 43 MET H H 1 7.739 0.035 . . . . . A 43 MET H . 25688 1 444 . 1 1 43 43 MET HA H 1 4.187 0.010 . . . . . A 43 MET HA . 25688 1 445 . 1 1 43 43 MET HB2 H 1 2.605 0.015 . . . . . A 43 MET HB2 . 25688 1 446 . 1 1 43 43 MET HB3 H 1 2.271 0.018 . . . . . A 43 MET HB3 . 25688 1 447 . 1 1 43 43 MET HG2 H 1 2.714 0.018 . . . . . A 43 MET HG2 . 25688 1 448 . 1 1 43 43 MET HG3 H 1 2.714 0.018 . . . . . A 43 MET HG3 . 25688 1 449 . 1 1 43 43 MET CA C 13 58.827 0.206 . . . . . A 43 MET CA . 25688 1 450 . 1 1 43 43 MET CB C 13 31.892 0.102 . . . . . A 43 MET CB . 25688 1 451 . 1 1 43 43 MET CG C 13 31.944 0.038 . . . . . A 43 MET CG . 25688 1 452 . 1 1 43 43 MET N N 15 119.377 0.155 . . . . . A 43 MET N . 25688 1 453 . 1 1 44 44 GLU H H 1 8.448 0.034 . . . . . A 44 GLU H . 25688 1 454 . 1 1 44 44 GLU HA H 1 3.946 0.033 . . . . . A 44 GLU HA . 25688 1 455 . 1 1 44 44 GLU HB2 H 1 1.958 0.017 . . . . . A 44 GLU HB2 . 25688 1 456 . 1 1 44 44 GLU HB3 H 1 1.958 0.017 . . . . . A 44 GLU HB3 . 25688 1 457 . 1 1 44 44 GLU HG2 H 1 2.639 0.010 . . . . . A 44 GLU HG2 . 25688 1 458 . 1 1 44 44 GLU HG3 H 1 2.639 0.010 . . . . . A 44 GLU HG3 . 25688 1 459 . 1 1 44 44 GLU CA C 13 59.754 0.240 . . . . . A 44 GLU CA . 25688 1 460 . 1 1 44 44 GLU CB C 13 29.654 0.174 . . . . . A 44 GLU CB . 25688 1 461 . 1 1 44 44 GLU CG C 13 36.740 0.038 . . . . . A 44 GLU CG . 25688 1 462 . 1 1 44 44 GLU N N 15 118.457 0.083 . . . . . A 44 GLU N . 25688 1 463 . 1 1 45 45 PHE H H 1 8.044 0.013 . . . . . A 45 PHE H . 25688 1 464 . 1 1 45 45 PHE HA H 1 3.920 0.014 . . . . . A 45 PHE HA . 25688 1 465 . 1 1 45 45 PHE HB2 H 1 3.590 0.006 . . . . . A 45 PHE HB2 . 25688 1 466 . 1 1 45 45 PHE HB3 H 1 2.959 0.008 . . . . . A 45 PHE HB3 . 25688 1 467 . 1 1 45 45 PHE HD1 H 1 6.887 0.003 . . . . . A 45 PHE HD1 . 25688 1 468 . 1 1 45 45 PHE HD2 H 1 6.887 0.003 . . . . . A 45 PHE HD2 . 25688 1 469 . 1 1 45 45 PHE HE1 H 1 7.160 0.002 . . . . . A 45 PHE HE1 . 25688 1 470 . 1 1 45 45 PHE HE2 H 1 7.104 0.003 . . . . . A 45 PHE HE2 . 25688 1 471 . 1 1 45 45 PHE HZ H 1 7.476 0.002 . . . . . A 45 PHE HZ . 25688 1 472 . 1 1 45 45 PHE CA C 13 61.060 0.257 . . . . . A 45 PHE CA . 25688 1 473 . 1 1 45 45 PHE CB C 13 38.863 0.135 . . . . . A 45 PHE CB . 25688 1 474 . 1 1 45 45 PHE N N 15 121.629 0.054 . . . . . A 45 PHE N . 25688 1 475 . 1 1 46 46 VAL H H 1 8.351 0.012 . . . . . A 46 VAL H . 25688 1 476 . 1 1 46 46 VAL HA H 1 2.997 0.017 . . . . . A 46 VAL HA . 25688 1 477 . 1 1 46 46 VAL HB H 1 2.162 0.014 . . . . . A 46 VAL HB . 25688 1 478 . 1 1 46 46 VAL HG11 H 1 0.983 0.007 . . . . . A 46 VAL HG11 . 25688 1 479 . 1 1 46 46 VAL HG12 H 1 0.983 0.007 . . . . . A 46 VAL HG12 . 25688 1 480 . 1 1 46 46 VAL HG13 H 1 0.983 0.007 . . . . . A 46 VAL HG13 . 25688 1 481 . 1 1 46 46 VAL HG21 H 1 0.774 0.007 . . . . . A 46 VAL HG21 . 25688 1 482 . 1 1 46 46 VAL HG22 H 1 0.774 0.007 . . . . . A 46 VAL HG22 . 25688 1 483 . 1 1 46 46 VAL HG23 H 1 0.774 0.007 . . . . . A 46 VAL HG23 . 25688 1 484 . 1 1 46 46 VAL CA C 13 67.527 0.207 . . . . . A 46 VAL CA . 25688 1 485 . 1 1 46 46 VAL CB C 13 31.529 0.245 . . . . . A 46 VAL CB . 25688 1 486 . 1 1 46 46 VAL CG1 C 13 23.557 0.169 . . . . . A 46 VAL CG1 . 25688 1 487 . 1 1 46 46 VAL CG2 C 13 21.966 0.141 . . . . . A 46 VAL CG2 . 25688 1 488 . 1 1 46 46 VAL N N 15 120.564 0.080 . . . . . A 46 VAL N . 25688 1 489 . 1 1 47 47 LEU H H 1 8.093 0.027 . . . . . A 47 LEU H . 25688 1 490 . 1 1 47 47 LEU HA H 1 4.196 0.013 . . . . . A 47 LEU HA . 25688 1 491 . 1 1 47 47 LEU HB2 H 1 1.847 0.016 . . . . . A 47 LEU HB2 . 25688 1 492 . 1 1 47 47 LEU HB3 H 1 1.556 0.012 . . . . . A 47 LEU HB3 . 25688 1 493 . 1 1 47 47 LEU HD11 H 1 0.903 0.008 . . . . . A 47 LEU HD11 . 25688 1 494 . 1 1 47 47 LEU HD12 H 1 0.903 0.008 . . . . . A 47 LEU HD12 . 25688 1 495 . 1 1 47 47 LEU HD13 H 1 0.903 0.008 . . . . . A 47 LEU HD13 . 25688 1 496 . 1 1 47 47 LEU CA C 13 58.312 0.270 . . . . . A 47 LEU CA . 25688 1 497 . 1 1 47 47 LEU CB C 13 41.665 0.184 . . . . . A 47 LEU CB . 25688 1 498 . 1 1 47 47 LEU CG C 13 25.570 0.000 . . . . . A 47 LEU CG . 25688 1 499 . 1 1 47 47 LEU CD1 C 13 23.506 0.155 . . . . . A 47 LEU CD1 . 25688 1 500 . 1 1 47 47 LEU N N 15 118.809 0.071 . . . . . A 47 LEU N . 25688 1 501 . 1 1 48 48 GLU H H 1 7.700 0.011 . . . . . A 48 GLU H . 25688 1 502 . 1 1 48 48 GLU HA H 1 4.231 0.012 . . . . . A 48 GLU HA . 25688 1 503 . 1 1 48 48 GLU HB2 H 1 2.294 0.008 . . . . . A 48 GLU HB2 . 25688 1 504 . 1 1 48 48 GLU HB3 H 1 2.033 0.011 . . . . . A 48 GLU HB3 . 25688 1 505 . 1 1 48 48 GLU HG2 H 1 2.612 0.017 . . . . . A 48 GLU HG2 . 25688 1 506 . 1 1 48 48 GLU HG3 H 1 2.359 0.018 . . . . . A 48 GLU HG3 . 25688 1 507 . 1 1 48 48 GLU CA C 13 59.855 0.210 . . . . . A 48 GLU CA . 25688 1 508 . 1 1 48 48 GLU CB C 13 28.790 0.256 . . . . . A 48 GLU CB . 25688 1 509 . 1 1 48 48 GLU CG C 13 36.980 0.276 . . . . . A 48 GLU CG . 25688 1 510 . 1 1 48 48 GLU N N 15 119.870 0.096 . . . . . A 48 GLU N . 25688 1 511 . 1 1 49 49 LEU H H 1 8.131 0.013 . . . . . A 49 LEU H . 25688 1 512 . 1 1 49 49 LEU HA H 1 3.991 0.007 . . . . . A 49 LEU HA . 25688 1 513 . 1 1 49 49 LEU HB2 H 1 1.962 0.009 . . . . . A 49 LEU HB2 . 25688 1 514 . 1 1 49 49 LEU HB3 H 1 1.257 0.024 . . . . . A 49 LEU HB3 . 25688 1 515 . 1 1 49 49 LEU HG H 1 0.451 0.012 . . . . . A 49 LEU HG . 25688 1 516 . 1 1 49 49 LEU HD11 H 1 0.765 0.011 . . . . . A 49 LEU HD11 . 25688 1 517 . 1 1 49 49 LEU HD12 H 1 0.765 0.011 . . . . . A 49 LEU HD12 . 25688 1 518 . 1 1 49 49 LEU HD13 H 1 0.765 0.011 . . . . . A 49 LEU HD13 . 25688 1 519 . 1 1 49 49 LEU CA C 13 58.728 0.197 . . . . . A 49 LEU CA . 25688 1 520 . 1 1 49 49 LEU CB C 13 42.362 0.159 . . . . . A 49 LEU CB . 25688 1 521 . 1 1 49 49 LEU CG C 13 25.529 0.042 . . . . . A 49 LEU CG . 25688 1 522 . 1 1 49 49 LEU CD1 C 13 23.616 0.213 . . . . . A 49 LEU CD1 . 25688 1 523 . 1 1 49 49 LEU N N 15 120.332 0.134 . . . . . A 49 LEU N . 25688 1 524 . 1 1 50 50 GLU H H 1 8.326 0.015 . . . . . A 50 GLU H . 25688 1 525 . 1 1 50 50 GLU HA H 1 3.965 0.006 . . . . . A 50 GLU HA . 25688 1 526 . 1 1 50 50 GLU HB2 H 1 2.015 0.017 . . . . . A 50 GLU HB2 . 25688 1 527 . 1 1 50 50 GLU HB3 H 1 2.015 0.017 . . . . . A 50 GLU HB3 . 25688 1 528 . 1 1 50 50 GLU HG2 H 1 2.367 0.004 . . . . . A 50 GLU HG2 . 25688 1 529 . 1 1 50 50 GLU HG3 H 1 2.367 0.004 . . . . . A 50 GLU HG3 . 25688 1 530 . 1 1 50 50 GLU CA C 13 59.885 0.216 . . . . . A 50 GLU CA . 25688 1 531 . 1 1 50 50 GLU CB C 13 29.781 0.232 . . . . . A 50 GLU CB . 25688 1 532 . 1 1 50 50 GLU N N 15 117.635 0.067 . . . . . A 50 GLU N . 25688 1 533 . 1 1 51 51 ASP H H 1 7.958 0.006 . . . . . A 51 ASP H . 25688 1 534 . 1 1 51 51 ASP HA H 1 4.408 0.009 . . . . . A 51 ASP HA . 25688 1 535 . 1 1 51 51 ASP HB2 H 1 2.832 0.005 . . . . . A 51 ASP HB2 . 25688 1 536 . 1 1 51 51 ASP HB3 H 1 2.764 0.011 . . . . . A 51 ASP HB3 . 25688 1 537 . 1 1 51 51 ASP CA C 13 56.975 0.163 . . . . . A 51 ASP CA . 25688 1 538 . 1 1 51 51 ASP CB C 13 41.617 0.173 . . . . . A 51 ASP CB . 25688 1 539 . 1 1 51 51 ASP N N 15 118.717 0.045 . . . . . A 51 ASP N . 25688 1 540 . 1 1 52 52 GLU H H 1 8.619 0.036 . . . . . A 52 GLU H . 25688 1 541 . 1 1 52 52 GLU HA H 1 3.987 0.032 . . . . . A 52 GLU HA . 25688 1 542 . 1 1 52 52 GLU HB2 H 1 1.978 0.008 . . . . . A 52 GLU HB2 . 25688 1 543 . 1 1 52 52 GLU HB3 H 1 1.474 0.008 . . . . . A 52 GLU HB3 . 25688 1 544 . 1 1 52 52 GLU HG2 H 1 2.621 0.002 . . . . . A 52 GLU HG2 . 25688 1 545 . 1 1 52 52 GLU HG3 H 1 2.621 0.002 . . . . . A 52 GLU HG3 . 25688 1 546 . 1 1 52 52 GLU CA C 13 59.346 0.075 . . . . . A 52 GLU CA . 25688 1 547 . 1 1 52 52 GLU CB C 13 29.832 0.072 . . . . . A 52 GLU CB . 25688 1 548 . 1 1 52 52 GLU CG C 13 33.900 0.065 . . . . . A 52 GLU CG . 25688 1 549 . 1 1 52 52 GLU N N 15 118.793 0.101 . . . . . A 52 GLU N . 25688 1 550 . 1 1 53 53 PHE H H 1 8.040 0.012 . . . . . A 53 PHE H . 25688 1 551 . 1 1 53 53 PHE HA H 1 4.620 0.008 . . . . . A 53 PHE HA . 25688 1 552 . 1 1 53 53 PHE HB2 H 1 3.333 0.006 . . . . . A 53 PHE HB2 . 25688 1 553 . 1 1 53 53 PHE HB3 H 1 2.849 0.005 . . . . . A 53 PHE HB3 . 25688 1 554 . 1 1 53 53 PHE HD1 H 1 7.169 0.003 . . . . . A 53 PHE HD1 . 25688 1 555 . 1 1 53 53 PHE HD2 H 1 7.169 0.003 . . . . . A 53 PHE HD2 . 25688 1 556 . 1 1 53 53 PHE HE1 H 1 7.585 0.003 . . . . . A 53 PHE HE1 . 25688 1 557 . 1 1 53 53 PHE HE2 H 1 7.585 0.003 . . . . . A 53 PHE HE2 . 25688 1 558 . 1 1 53 53 PHE HZ H 1 7.323 0.001 . . . . . A 53 PHE HZ . 25688 1 559 . 1 1 53 53 PHE CA C 13 59.090 0.117 . . . . . A 53 PHE CA . 25688 1 560 . 1 1 53 53 PHE CB C 13 39.471 0.173 . . . . . A 53 PHE CB . 25688 1 561 . 1 1 53 53 PHE N N 15 112.017 0.058 . . . . . A 53 PHE N . 25688 1 562 . 1 1 54 54 GLY H H 1 7.902 0.007 . . . . . A 54 GLY H . 25688 1 563 . 1 1 54 54 GLY HA2 H 1 4.021 0.013 . . . . . A 54 GLY HA2 . 25688 1 564 . 1 1 54 54 GLY HA3 H 1 3.946 0.012 . . . . . A 54 GLY HA3 . 25688 1 565 . 1 1 54 54 GLY CA C 13 47.380 0.157 . . . . . A 54 GLY CA . 25688 1 566 . 1 1 54 54 GLY N N 15 111.599 0.033 . . . . . A 54 GLY N . 25688 1 567 . 1 1 55 55 THR H H 1 7.652 0.005 . . . . . A 55 THR H . 25688 1 568 . 1 1 55 55 THR HA H 1 4.631 0.010 . . . . . A 55 THR HA . 25688 1 569 . 1 1 55 55 THR HB H 1 3.829 0.012 . . . . . A 55 THR HB . 25688 1 570 . 1 1 55 55 THR HG21 H 1 1.031 0.008 . . . . . A 55 THR HG21 . 25688 1 571 . 1 1 55 55 THR HG22 H 1 1.031 0.008 . . . . . A 55 THR HG22 . 25688 1 572 . 1 1 55 55 THR HG23 H 1 1.031 0.008 . . . . . A 55 THR HG23 . 25688 1 573 . 1 1 55 55 THR CA C 13 59.672 0.262 . . . . . A 55 THR CA . 25688 1 574 . 1 1 55 55 THR CB C 13 70.866 0.149 . . . . . A 55 THR CB . 25688 1 575 . 1 1 55 55 THR CG2 C 13 19.902 0.069 . . . . . A 55 THR CG2 . 25688 1 576 . 1 1 55 55 THR N N 15 113.034 0.034 . . . . . A 55 THR N . 25688 1 577 . 1 1 56 56 GLU H H 1 8.237 0.006 . . . . . A 56 GLU H . 25688 1 578 . 1 1 56 56 GLU HA H 1 4.368 0.012 . . . . . A 56 GLU HA . 25688 1 579 . 1 1 56 56 GLU HB2 H 1 1.896 0.005 . . . . . A 56 GLU HB2 . 25688 1 580 . 1 1 56 56 GLU HB3 H 1 1.896 0.005 . . . . . A 56 GLU HB3 . 25688 1 581 . 1 1 56 56 GLU HG2 H 1 2.149 0.016 . . . . . A 56 GLU HG2 . 25688 1 582 . 1 1 56 56 GLU HG3 H 1 2.149 0.016 . . . . . A 56 GLU HG3 . 25688 1 583 . 1 1 56 56 GLU CA C 13 56.035 0.244 . . . . . A 56 GLU CA . 25688 1 584 . 1 1 56 56 GLU CB C 13 31.008 0.179 . . . . . A 56 GLU CB . 25688 1 585 . 1 1 56 56 GLU CG C 13 36.188 0.167 . . . . . A 56 GLU CG . 25688 1 586 . 1 1 56 56 GLU N N 15 124.034 0.049 . . . . . A 56 GLU N . 25688 1 587 . 1 1 57 57 ILE H H 1 9.623 0.721 . . . . . A 57 ILE H . 25688 1 588 . 1 1 57 57 ILE HA H 1 4.214 0.013 . . . . . A 57 ILE HA . 25688 1 589 . 1 1 57 57 ILE HB H 1 1.536 0.014 . . . . . A 57 ILE HB . 25688 1 590 . 1 1 57 57 ILE HG12 H 1 0.776 0.009 . . . . . A 57 ILE HG12 . 25688 1 591 . 1 1 57 57 ILE HG13 H 1 0.776 0.009 . . . . . A 57 ILE HG13 . 25688 1 592 . 1 1 57 57 ILE HG21 H 1 0.493 0.007 . . . . . A 57 ILE HG21 . 25688 1 593 . 1 1 57 57 ILE HG22 H 1 0.493 0.007 . . . . . A 57 ILE HG22 . 25688 1 594 . 1 1 57 57 ILE HG23 H 1 0.493 0.007 . . . . . A 57 ILE HG23 . 25688 1 595 . 1 1 57 57 ILE HD11 H 1 0.506 0.008 . . . . . A 57 ILE HD11 . 25688 1 596 . 1 1 57 57 ILE HD12 H 1 0.506 0.008 . . . . . A 57 ILE HD12 . 25688 1 597 . 1 1 57 57 ILE HD13 H 1 0.506 0.008 . . . . . A 57 ILE HD13 . 25688 1 598 . 1 1 57 57 ILE CA C 13 60.964 0.206 . . . . . A 57 ILE CA . 25688 1 599 . 1 1 57 57 ILE CB C 13 38.672 0.151 . . . . . A 57 ILE CB . 25688 1 600 . 1 1 57 57 ILE CG1 C 13 27.448 0.148 . . . . . A 57 ILE CG1 . 25688 1 601 . 1 1 57 57 ILE CG2 C 13 16.201 0.036 . . . . . A 57 ILE CG2 . 25688 1 602 . 1 1 57 57 ILE CD1 C 13 13.073 0.051 . . . . . A 57 ILE CD1 . 25688 1 603 . 1 1 57 57 ILE N N 15 128.249 0.142 . . . . . A 57 ILE N . 25688 1 604 . 1 1 58 58 SER H H 1 9.295 0.016 . . . . . A 58 SER H . 25688 1 605 . 1 1 58 58 SER HA H 1 4.432 0.013 . . . . . A 58 SER HA . 25688 1 606 . 1 1 58 58 SER HB2 H 1 4.298 0.008 . . . . . A 58 SER HB2 . 25688 1 607 . 1 1 58 58 SER HB3 H 1 4.066 0.015 . . . . . A 58 SER HB3 . 25688 1 608 . 1 1 58 58 SER CA C 13 58.130 0.288 . . . . . A 58 SER CA . 25688 1 609 . 1 1 58 58 SER CB C 13 64.660 0.172 . . . . . A 58 SER CB . 25688 1 610 . 1 1 58 58 SER N N 15 126.591 0.096 . . . . . A 58 SER N . 25688 1 611 . 1 1 59 59 ASP H H 1 8.899 0.008 . . . . . A 59 ASP H . 25688 1 612 . 1 1 59 59 ASP HA H 1 4.246 0.013 . . . . . A 59 ASP HA . 25688 1 613 . 1 1 59 59 ASP HB2 H 1 2.680 0.015 . . . . . A 59 ASP HB2 . 25688 1 614 . 1 1 59 59 ASP HB3 H 1 2.583 0.010 . . . . . A 59 ASP HB3 . 25688 1 615 . 1 1 59 59 ASP CA C 13 58.093 0.349 . . . . . A 59 ASP CA . 25688 1 616 . 1 1 59 59 ASP CB C 13 39.810 0.135 . . . . . A 59 ASP CB . 25688 1 617 . 1 1 59 59 ASP N N 15 122.348 0.107 . . . . . A 59 ASP N . 25688 1 618 . 1 1 60 60 GLU H H 1 8.554 0.019 . . . . . A 60 GLU H . 25688 1 619 . 1 1 60 60 GLU HA H 1 4.020 0.021 . . . . . A 60 GLU HA . 25688 1 620 . 1 1 60 60 GLU HB2 H 1 1.973 0.025 . . . . . A 60 GLU HB2 . 25688 1 621 . 1 1 60 60 GLU HB3 H 1 1.973 0.025 . . . . . A 60 GLU HB3 . 25688 1 622 . 1 1 60 60 GLU HG2 H 1 2.258 0.004 . . . . . A 60 GLU HG2 . 25688 1 623 . 1 1 60 60 GLU HG3 H 1 2.258 0.004 . . . . . A 60 GLU HG3 . 25688 1 624 . 1 1 60 60 GLU CA C 13 59.385 0.111 . . . . . A 60 GLU CA . 25688 1 625 . 1 1 60 60 GLU CB C 13 29.555 0.184 . . . . . A 60 GLU CB . 25688 1 626 . 1 1 60 60 GLU CG C 13 31.942 0.000 . . . . . A 60 GLU CG . 25688 1 627 . 1 1 60 60 GLU N N 15 118.382 0.081 . . . . . A 60 GLU N . 25688 1 628 . 1 1 61 61 ASP H H 1 7.746 0.006 . . . . . A 61 ASP H . 25688 1 629 . 1 1 61 61 ASP HA H 1 4.419 0.009 . . . . . A 61 ASP HA . 25688 1 630 . 1 1 61 61 ASP HB2 H 1 2.632 0.004 . . . . . A 61 ASP HB2 . 25688 1 631 . 1 1 61 61 ASP HB3 H 1 2.253 0.010 . . . . . A 61 ASP HB3 . 25688 1 632 . 1 1 61 61 ASP CA C 13 56.888 0.160 . . . . . A 61 ASP CA . 25688 1 633 . 1 1 61 61 ASP CB C 13 41.119 0.252 . . . . . A 61 ASP CB . 25688 1 634 . 1 1 61 61 ASP N N 15 119.970 0.039 . . . . . A 61 ASP N . 25688 1 635 . 1 1 62 62 ALA H H 1 8.465 0.006 . . . . . A 62 ALA H . 25688 1 636 . 1 1 62 62 ALA HA H 1 3.653 0.013 . . . . . A 62 ALA HA . 25688 1 637 . 1 1 62 62 ALA HB1 H 1 1.372 0.008 . . . . . A 62 ALA HB1 . 25688 1 638 . 1 1 62 62 ALA HB2 H 1 1.372 0.008 . . . . . A 62 ALA HB2 . 25688 1 639 . 1 1 62 62 ALA HB3 H 1 1.372 0.008 . . . . . A 62 ALA HB3 . 25688 1 640 . 1 1 62 62 ALA CA C 13 55.165 0.186 . . . . . A 62 ALA CA . 25688 1 641 . 1 1 62 62 ALA CB C 13 18.429 0.135 . . . . . A 62 ALA CB . 25688 1 642 . 1 1 62 62 ALA N N 15 122.725 0.084 . . . . . A 62 ALA N . 25688 1 643 . 1 1 63 63 GLU H H 1 7.447 0.024 . . . . . A 63 GLU H . 25688 1 644 . 1 1 63 63 GLU HA H 1 3.989 0.030 . . . . . A 63 GLU HA . 25688 1 645 . 1 1 63 63 GLU HB2 H 1 2.047 0.010 . . . . . A 63 GLU HB2 . 25688 1 646 . 1 1 63 63 GLU HB3 H 1 2.047 0.010 . . . . . A 63 GLU HB3 . 25688 1 647 . 1 1 63 63 GLU HG2 H 1 2.320 0.014 . . . . . A 63 GLU HG2 . 25688 1 648 . 1 1 63 63 GLU HG3 H 1 2.320 0.014 . . . . . A 63 GLU HG3 . 25688 1 649 . 1 1 63 63 GLU CA C 13 58.852 0.233 . . . . . A 63 GLU CA . 25688 1 650 . 1 1 63 63 GLU CB C 13 29.829 0.178 . . . . . A 63 GLU CB . 25688 1 651 . 1 1 63 63 GLU CG C 13 35.679 0.337 . . . . . A 63 GLU CG . 25688 1 652 . 1 1 63 63 GLU N N 15 114.767 0.036 . . . . . A 63 GLU N . 25688 1 653 . 1 1 64 64 LYS H H 1 7.212 0.011 . . . . . A 64 LYS H . 25688 1 654 . 1 1 64 64 LYS HA H 1 4.303 0.015 . . . . . A 64 LYS HA . 25688 1 655 . 1 1 64 64 LYS HB2 H 1 2.036 0.015 . . . . . A 64 LYS HB2 . 25688 1 656 . 1 1 64 64 LYS HB3 H 1 1.879 0.005 . . . . . A 64 LYS HB3 . 25688 1 657 . 1 1 64 64 LYS HG2 H 1 1.590 0.005 . . . . . A 64 LYS HG2 . 25688 1 658 . 1 1 64 64 LYS HG3 H 1 1.458 0.013 . . . . . A 64 LYS HG3 . 25688 1 659 . 1 1 64 64 LYS HD2 H 1 2.054 0.005 . . . . . A 64 LYS HD2 . 25688 1 660 . 1 1 64 64 LYS HD3 H 1 2.054 0.005 . . . . . A 64 LYS HD3 . 25688 1 661 . 1 1 64 64 LYS HE2 H 1 2.974 0.030 . . . . . A 64 LYS HE2 . 25688 1 662 . 1 1 64 64 LYS HE3 H 1 2.974 0.030 . . . . . A 64 LYS HE3 . 25688 1 663 . 1 1 64 64 LYS CA C 13 56.480 0.205 . . . . . A 64 LYS CA . 25688 1 664 . 1 1 64 64 LYS CB C 13 32.944 0.194 . . . . . A 64 LYS CB . 25688 1 665 . 1 1 64 64 LYS CG C 13 25.248 0.079 . . . . . A 64 LYS CG . 25688 1 666 . 1 1 64 64 LYS CD C 13 29.729 0.076 . . . . . A 64 LYS CD . 25688 1 667 . 1 1 64 64 LYS N N 15 115.365 0.034 . . . . . A 64 LYS N . 25688 1 668 . 1 1 65 65 ILE H H 1 7.278 0.016 . . . . . A 65 ILE H . 25688 1 669 . 1 1 65 65 ILE HA H 1 3.941 0.015 . . . . . A 65 ILE HA . 25688 1 670 . 1 1 65 65 ILE HB H 1 1.917 0.009 . . . . . A 65 ILE HB . 25688 1 671 . 1 1 65 65 ILE HG12 H 1 1.648 0.013 . . . . . A 65 ILE HG12 . 25688 1 672 . 1 1 65 65 ILE HG13 H 1 0.768 0.009 . . . . . A 65 ILE HG13 . 25688 1 673 . 1 1 65 65 ILE HG21 H 1 0.763 0.008 . . . . . A 65 ILE HG21 . 25688 1 674 . 1 1 65 65 ILE HG22 H 1 0.763 0.008 . . . . . A 65 ILE HG22 . 25688 1 675 . 1 1 65 65 ILE HG23 H 1 0.763 0.008 . . . . . A 65 ILE HG23 . 25688 1 676 . 1 1 65 65 ILE HD11 H 1 0.419 0.017 . . . . . A 65 ILE HD11 . 25688 1 677 . 1 1 65 65 ILE HD12 H 1 0.419 0.017 . . . . . A 65 ILE HD12 . 25688 1 678 . 1 1 65 65 ILE HD13 H 1 0.419 0.017 . . . . . A 65 ILE HD13 . 25688 1 679 . 1 1 65 65 ILE CA C 13 61.376 0.237 . . . . . A 65 ILE CA . 25688 1 680 . 1 1 65 65 ILE CB C 13 36.920 0.144 . . . . . A 65 ILE CB . 25688 1 681 . 1 1 65 65 ILE CG1 C 13 27.234 0.096 . . . . . A 65 ILE CG1 . 25688 1 682 . 1 1 65 65 ILE CG2 C 13 17.647 0.070 . . . . . A 65 ILE CG2 . 25688 1 683 . 1 1 65 65 ILE CD1 C 13 12.750 0.088 . . . . . A 65 ILE CD1 . 25688 1 684 . 1 1 65 65 ILE N N 15 119.443 0.048 . . . . . A 65 ILE N . 25688 1 685 . 1 1 66 66 GLU H H 1 7.991 0.019 . . . . . A 66 GLU H . 25688 1 686 . 1 1 66 66 GLU HA H 1 4.362 0.012 . . . . . A 66 GLU HA . 25688 1 687 . 1 1 66 66 GLU HB2 H 1 2.148 0.008 . . . . . A 66 GLU HB2 . 25688 1 688 . 1 1 66 66 GLU HB3 H 1 2.038 0.006 . . . . . A 66 GLU HB3 . 25688 1 689 . 1 1 66 66 GLU HG2 H 1 2.259 0.007 . . . . . A 66 GLU HG2 . 25688 1 690 . 1 1 66 66 GLU HG3 H 1 2.259 0.007 . . . . . A 66 GLU HG3 . 25688 1 691 . 1 1 66 66 GLU CA C 13 57.157 0.270 . . . . . A 66 GLU CA . 25688 1 692 . 1 1 66 66 GLU CB C 13 31.560 0.276 . . . . . A 66 GLU CB . 25688 1 693 . 1 1 66 66 GLU CG C 13 36.659 0.002 . . . . . A 66 GLU CG . 25688 1 694 . 1 1 66 66 GLU N N 15 121.135 0.153 . . . . . A 66 GLU N . 25688 1 695 . 1 1 67 67 THR H H 1 7.221 0.016 . . . . . A 67 THR H . 25688 1 696 . 1 1 67 67 THR HA H 1 5.437 0.004 . . . . . A 67 THR HA . 25688 1 697 . 1 1 67 67 THR HB H 1 4.461 0.014 . . . . . A 67 THR HB . 25688 1 698 . 1 1 67 67 THR HG21 H 1 1.167 0.007 . . . . . A 67 THR HG21 . 25688 1 699 . 1 1 67 67 THR HG22 H 1 1.167 0.007 . . . . . A 67 THR HG22 . 25688 1 700 . 1 1 67 67 THR HG23 H 1 1.167 0.007 . . . . . A 67 THR HG23 . 25688 1 701 . 1 1 67 67 THR CA C 13 58.353 0.264 . . . . . A 67 THR CA . 25688 1 702 . 1 1 67 67 THR CB C 13 72.869 0.115 . . . . . A 67 THR CB . 25688 1 703 . 1 1 67 67 THR CG2 C 13 21.929 0.041 . . . . . A 67 THR CG2 . 25688 1 704 . 1 1 67 67 THR N N 15 106.492 0.089 . . . . . A 67 THR N . 25688 1 705 . 1 1 68 68 VAL H H 1 8.426 0.007 . . . . . A 68 VAL H . 25688 1 706 . 1 1 68 68 VAL HA H 1 3.394 0.012 . . . . . A 68 VAL HA . 25688 1 707 . 1 1 68 68 VAL HB H 1 2.345 0.006 . . . . . A 68 VAL HB . 25688 1 708 . 1 1 68 68 VAL HG11 H 1 0.905 0.011 . . . . . A 68 VAL HG11 . 25688 1 709 . 1 1 68 68 VAL HG12 H 1 0.905 0.011 . . . . . A 68 VAL HG12 . 25688 1 710 . 1 1 68 68 VAL HG13 H 1 0.905 0.011 . . . . . A 68 VAL HG13 . 25688 1 711 . 1 1 68 68 VAL HG21 H 1 0.646 0.007 . . . . . A 68 VAL HG21 . 25688 1 712 . 1 1 68 68 VAL HG22 H 1 0.646 0.007 . . . . . A 68 VAL HG22 . 25688 1 713 . 1 1 68 68 VAL HG23 H 1 0.646 0.007 . . . . . A 68 VAL HG23 . 25688 1 714 . 1 1 68 68 VAL CA C 13 67.329 0.211 . . . . . A 68 VAL CA . 25688 1 715 . 1 1 68 68 VAL CB C 13 31.346 0.156 . . . . . A 68 VAL CB . 25688 1 716 . 1 1 68 68 VAL CG1 C 13 24.891 0.111 . . . . . A 68 VAL CG1 . 25688 1 717 . 1 1 68 68 VAL CG2 C 13 21.121 0.044 . . . . . A 68 VAL CG2 . 25688 1 718 . 1 1 68 68 VAL N N 15 121.769 0.084 . . . . . A 68 VAL N . 25688 1 719 . 1 1 69 69 GLY H H 1 9.303 0.003 . . . . . A 69 GLY H . 25688 1 720 . 1 1 69 69 GLY HA2 H 1 3.944 0.013 . . . . . A 69 GLY HA2 . 25688 1 721 . 1 1 69 69 GLY HA3 H 1 3.653 0.004 . . . . . A 69 GLY HA3 . 25688 1 722 . 1 1 69 69 GLY CA C 13 47.471 0.178 . . . . . A 69 GLY CA . 25688 1 723 . 1 1 69 69 GLY N N 15 107.148 0.049 . . . . . A 69 GLY N . 25688 1 724 . 1 1 70 70 ALA H H 1 7.755 0.018 . . . . . A 70 ALA H . 25688 1 725 . 1 1 70 70 ALA HA H 1 4.298 0.015 . . . . . A 70 ALA HA . 25688 1 726 . 1 1 70 70 ALA HB1 H 1 1.648 0.006 . . . . . A 70 ALA HB1 . 25688 1 727 . 1 1 70 70 ALA HB2 H 1 1.648 0.006 . . . . . A 70 ALA HB2 . 25688 1 728 . 1 1 70 70 ALA HB3 H 1 1.648 0.006 . . . . . A 70 ALA HB3 . 25688 1 729 . 1 1 70 70 ALA CA C 13 55.008 0.169 . . . . . A 70 ALA CA . 25688 1 730 . 1 1 70 70 ALA CB C 13 19.073 0.518 . . . . . A 70 ALA CB . 25688 1 731 . 1 1 70 70 ALA N N 15 122.039 0.043 . . . . . A 70 ALA N . 25688 1 732 . 1 1 71 71 ALA H H 1 7.917 0.011 . . . . . A 71 ALA H . 25688 1 733 . 1 1 71 71 ALA HA H 1 3.983 0.010 . . . . . A 71 ALA HA . 25688 1 734 . 1 1 71 71 ALA HB1 H 1 1.606 0.020 . . . . . A 71 ALA HB1 . 25688 1 735 . 1 1 71 71 ALA HB2 H 1 1.606 0.020 . . . . . A 71 ALA HB2 . 25688 1 736 . 1 1 71 71 ALA HB3 H 1 1.606 0.020 . . . . . A 71 ALA HB3 . 25688 1 737 . 1 1 71 71 ALA CA C 13 56.013 0.177 . . . . . A 71 ALA CA . 25688 1 738 . 1 1 71 71 ALA CB C 13 17.879 0.216 . . . . . A 71 ALA CB . 25688 1 739 . 1 1 71 71 ALA N N 15 122.840 0.135 . . . . . A 71 ALA N . 25688 1 740 . 1 1 72 72 VAL H H 1 8.392 0.015 . . . . . A 72 VAL H . 25688 1 741 . 1 1 72 72 VAL HA H 1 3.301 0.011 . . . . . A 72 VAL HA . 25688 1 742 . 1 1 72 72 VAL HB H 1 2.264 0.009 . . . . . A 72 VAL HB . 25688 1 743 . 1 1 72 72 VAL HG11 H 1 1.003 0.007 . . . . . A 72 VAL HG11 . 25688 1 744 . 1 1 72 72 VAL HG12 H 1 0.834 0.013 . . . . . A 72 VAL HG12 . 25688 1 745 . 1 1 72 72 VAL HG13 H 1 1.003 0.007 . . . . . A 72 VAL HG13 . 25688 1 746 . 1 1 72 72 VAL HG21 H 1 0.877 0.006 . . . . . A 72 VAL HG21 . 25688 1 747 . 1 1 72 72 VAL HG22 H 1 0.877 0.006 . . . . . A 72 VAL HG22 . 25688 1 748 . 1 1 72 72 VAL HG23 H 1 0.877 0.006 . . . . . A 72 VAL HG23 . 25688 1 749 . 1 1 72 72 VAL CA C 13 66.486 0.167 . . . . . A 72 VAL CA . 25688 1 750 . 1 1 72 72 VAL CB C 13 31.930 0.169 . . . . . A 72 VAL CB . 25688 1 751 . 1 1 72 72 VAL CG1 C 13 23.296 0.108 . . . . . A 72 VAL CG1 . 25688 1 752 . 1 1 72 72 VAL CG2 C 13 21.935 0.086 . . . . . A 72 VAL CG2 . 25688 1 753 . 1 1 72 72 VAL N N 15 117.746 0.066 . . . . . A 72 VAL N . 25688 1 754 . 1 1 73 73 ASP H H 1 8.645 0.008 . . . . . A 73 ASP H . 25688 1 755 . 1 1 73 73 ASP HA H 1 4.314 0.008 . . . . . A 73 ASP HA . 25688 1 756 . 1 1 73 73 ASP HB2 H 1 2.690 0.008 . . . . . A 73 ASP HB2 . 25688 1 757 . 1 1 73 73 ASP HB3 H 1 2.652 0.012 . . . . . A 73 ASP HB3 . 25688 1 758 . 1 1 73 73 ASP CA C 13 57.597 0.206 . . . . . A 73 ASP CA . 25688 1 759 . 1 1 73 73 ASP CB C 13 40.059 0.172 . . . . . A 73 ASP CB . 25688 1 760 . 1 1 73 73 ASP N N 15 118.392 0.057 . . . . . A 73 ASP N . 25688 1 761 . 1 1 74 74 TYR H H 1 8.072 0.004 . . . . . A 74 TYR H . 25688 1 762 . 1 1 74 74 TYR HA H 1 3.899 0.010 . . . . . A 74 TYR HA . 25688 1 763 . 1 1 74 74 TYR HB2 H 1 3.137 0.012 . . . . . A 74 TYR HB2 . 25688 1 764 . 1 1 74 74 TYR HB3 H 1 3.037 0.013 . . . . . A 74 TYR HB3 . 25688 1 765 . 1 1 74 74 TYR HD1 H 1 6.634 0.007 . . . . . A 74 TYR HD1 . 25688 1 766 . 1 1 74 74 TYR HD2 H 1 6.829 0.007 . . . . . A 74 TYR HD2 . 25688 1 767 . 1 1 74 74 TYR HE1 H 1 6.499 0.111 . . . . . A 74 TYR HE1 . 25688 1 768 . 1 1 74 74 TYR HE2 H 1 6.580 0.132 . . . . . A 74 TYR HE2 . 25688 1 769 . 1 1 74 74 TYR CA C 13 62.369 0.224 . . . . . A 74 TYR CA . 25688 1 770 . 1 1 74 74 TYR CB C 13 38.290 0.172 . . . . . A 74 TYR CB . 25688 1 771 . 1 1 74 74 TYR N N 15 121.820 0.098 . . . . . A 74 TYR N . 25688 1 772 . 1 1 75 75 ILE H H 1 8.067 0.007 . . . . . A 75 ILE H . 25688 1 773 . 1 1 75 75 ILE HA H 1 3.418 0.016 . . . . . A 75 ILE HA . 25688 1 774 . 1 1 75 75 ILE HB H 1 1.761 0.008 . . . . . A 75 ILE HB . 25688 1 775 . 1 1 75 75 ILE HG12 H 1 1.279 0.017 . . . . . A 75 ILE HG12 . 25688 1 776 . 1 1 75 75 ILE HG13 H 1 1.045 0.020 . . . . . A 75 ILE HG13 . 25688 1 777 . 1 1 75 75 ILE HG21 H 1 0.052 0.006 . . . . . A 75 ILE HG21 . 25688 1 778 . 1 1 75 75 ILE HG22 H 1 0.052 0.006 . . . . . A 75 ILE HG22 . 25688 1 779 . 1 1 75 75 ILE HG23 H 1 0.052 0.006 . . . . . A 75 ILE HG23 . 25688 1 780 . 1 1 75 75 ILE HD11 H 1 0.296 0.012 . . . . . A 75 ILE HD11 . 25688 1 781 . 1 1 75 75 ILE HD12 H 1 0.296 0.012 . . . . . A 75 ILE HD12 . 25688 1 782 . 1 1 75 75 ILE HD13 H 1 0.296 0.012 . . . . . A 75 ILE HD13 . 25688 1 783 . 1 1 75 75 ILE CA C 13 63.464 0.131 . . . . . A 75 ILE CA . 25688 1 784 . 1 1 75 75 ILE CB C 13 36.323 0.124 . . . . . A 75 ILE CB . 25688 1 785 . 1 1 75 75 ILE CG1 C 13 27.224 0.117 . . . . . A 75 ILE CG1 . 25688 1 786 . 1 1 75 75 ILE CG2 C 13 17.123 0.037 . . . . . A 75 ILE CG2 . 25688 1 787 . 1 1 75 75 ILE CD1 C 13 11.301 0.039 . . . . . A 75 ILE CD1 . 25688 1 788 . 1 1 75 75 ILE N N 15 120.879 0.101 . . . . . A 75 ILE N . 25688 1 789 . 1 1 76 76 VAL H H 1 8.681 0.006 . . . . . A 76 VAL H . 25688 1 790 . 1 1 76 76 VAL HA H 1 3.598 0.017 . . . . . A 76 VAL HA . 25688 1 791 . 1 1 76 76 VAL HB H 1 2.133 0.013 . . . . . A 76 VAL HB . 25688 1 792 . 1 1 76 76 VAL HG11 H 1 0.981 0.010 . . . . . A 76 VAL HG11 . 25688 1 793 . 1 1 76 76 VAL HG12 H 1 0.981 0.010 . . . . . A 76 VAL HG12 . 25688 1 794 . 1 1 76 76 VAL HG13 H 1 0.981 0.010 . . . . . A 76 VAL HG13 . 25688 1 795 . 1 1 76 76 VAL HG21 H 1 0.925 0.006 . . . . . A 76 VAL HG21 . 25688 1 796 . 1 1 76 76 VAL HG22 H 1 0.925 0.006 . . . . . A 76 VAL HG22 . 25688 1 797 . 1 1 76 76 VAL HG23 H 1 0.925 0.006 . . . . . A 76 VAL HG23 . 25688 1 798 . 1 1 76 76 VAL CA C 13 66.145 0.333 . . . . . A 76 VAL CA . 25688 1 799 . 1 1 76 76 VAL CB C 13 31.861 0.176 . . . . . A 76 VAL CB . 25688 1 800 . 1 1 76 76 VAL CG1 C 13 22.941 0.098 . . . . . A 76 VAL CG1 . 25688 1 801 . 1 1 76 76 VAL CG2 C 13 21.296 0.021 . . . . . A 76 VAL CG2 . 25688 1 802 . 1 1 76 76 VAL N N 15 119.356 0.081 . . . . . A 76 VAL N . 25688 1 803 . 1 1 77 77 SER H H 1 7.846 0.004 . . . . . A 77 SER H . 25688 1 804 . 1 1 77 77 SER HA H 1 4.280 0.008 . . . . . A 77 SER HA . 25688 1 805 . 1 1 77 77 SER HB2 H 1 3.815 0.007 . . . . . A 77 SER HB2 . 25688 1 806 . 1 1 77 77 SER HB3 H 1 3.815 0.007 . . . . . A 77 SER HB3 . 25688 1 807 . 1 1 77 77 SER CA C 13 60.976 0.223 . . . . . A 77 SER CA . 25688 1 808 . 1 1 77 77 SER CB C 13 63.696 0.169 . . . . . A 77 SER CB . 25688 1 809 . 1 1 77 77 SER N N 15 113.582 0.028 . . . . . A 77 SER N . 25688 1 810 . 1 1 78 78 ASN H H 1 7.801 0.011 . . . . . A 78 ASN H . 25688 1 811 . 1 1 78 78 ASN HA H 1 4.728 0.023 . . . . . A 78 ASN HA . 25688 1 812 . 1 1 78 78 ASN HB2 H 1 3.012 0.004 . . . . . A 78 ASN HB2 . 25688 1 813 . 1 1 78 78 ASN HB3 H 1 2.706 0.009 . . . . . A 78 ASN HB3 . 25688 1 814 . 1 1 78 78 ASN CA C 13 54.727 0.008 . . . . . A 78 ASN CA . 25688 1 815 . 1 1 78 78 ASN CB C 13 39.142 0.232 . . . . . A 78 ASN CB . 25688 1 816 . 1 1 78 78 ASN N N 15 118.061 0.028 . . . . . A 78 ASN N . 25688 1 817 . 1 1 79 79 SER H H 1 7.399 0.003 . . . . . A 79 SER H . 25688 1 818 . 1 1 79 79 SER N N 15 121.089 0.023 . . . . . A 79 SER N . 25688 1 stop_ save_