data_34494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34494 _Entry.Title ; Rhodospirillum rubrum oxidized CooT solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-05 _Entry.Accession_date 2020-03-05 _Entry.Last_release_date 2020-03-11 _Entry.Original_release_date 2020-03-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34494 stop_ 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 B. Chagot B. . . . 34494 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANAEROBIC METABOLISM' . 34494 'METAL BINDING PROTEIN' . 34494 'NICKEL-BINDING PROTEIN' . 34494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 290 34494 '15N chemical shifts' 77 34494 '1H chemical shifts' 486 34494 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 . . 2020-03-12 . original BMRB . 34494 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y8V . 34494 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34494 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Rhodospirillum rubrum oxidized CooT solution structure ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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 B. Chagot B. . . . 34494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34494 _Assembly.ID 1 _Assembly.Name CooT _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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34494 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34494 _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 ; GPGSMCMAKVVLTKADGGRV EIGDVLEVRAEGGAVRVTTL FDEEHAFPGLAIGRVDLRSG VISLIEEQNR ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7403.457 _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 -3 GLY . 34494 1 2 -2 PRO . 34494 1 3 -1 GLY . 34494 1 4 0 SER . 34494 1 5 1 MET . 34494 1 6 2 CYS . 34494 1 7 3 MET . 34494 1 8 4 ALA . 34494 1 9 5 LYS . 34494 1 10 6 VAL . 34494 1 11 7 VAL . 34494 1 12 8 LEU . 34494 1 13 9 THR . 34494 1 14 10 LYS . 34494 1 15 11 ALA . 34494 1 16 12 ASP . 34494 1 17 13 GLY . 34494 1 18 14 GLY . 34494 1 19 15 ARG . 34494 1 20 16 VAL . 34494 1 21 17 GLU . 34494 1 22 18 ILE . 34494 1 23 19 GLY . 34494 1 24 20 ASP . 34494 1 25 21 VAL . 34494 1 26 22 LEU . 34494 1 27 23 GLU . 34494 1 28 24 VAL . 34494 1 29 25 ARG . 34494 1 30 26 ALA . 34494 1 31 27 GLU . 34494 1 32 28 GLY . 34494 1 33 29 GLY . 34494 1 34 30 ALA . 34494 1 35 31 VAL . 34494 1 36 32 ARG . 34494 1 37 33 VAL . 34494 1 38 34 THR . 34494 1 39 35 THR . 34494 1 40 36 LEU . 34494 1 41 37 PHE . 34494 1 42 38 ASP . 34494 1 43 39 GLU . 34494 1 44 40 GLU . 34494 1 45 41 HIS . 34494 1 46 42 ALA . 34494 1 47 43 PHE . 34494 1 48 44 PRO . 34494 1 49 45 GLY . 34494 1 50 46 LEU . 34494 1 51 47 ALA . 34494 1 52 48 ILE . 34494 1 53 49 GLY . 34494 1 54 50 ARG . 34494 1 55 51 VAL . 34494 1 56 52 ASP . 34494 1 57 53 LEU . 34494 1 58 54 ARG . 34494 1 59 55 SER . 34494 1 60 56 GLY . 34494 1 61 57 VAL . 34494 1 62 58 ILE . 34494 1 63 59 SER . 34494 1 64 60 LEU . 34494 1 65 61 ILE . 34494 1 66 62 GLU . 34494 1 67 63 GLU . 34494 1 68 64 GLN . 34494 1 69 65 ASN . 34494 1 70 66 ARG . 34494 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 . GLY 1 1 34494 1 . PRO 2 2 34494 1 . GLY 3 3 34494 1 . SER 4 4 34494 1 . MET 5 5 34494 1 . CYS 6 6 34494 1 . MET 7 7 34494 1 . ALA 8 8 34494 1 . LYS 9 9 34494 1 . VAL 10 10 34494 1 . VAL 11 11 34494 1 . LEU 12 12 34494 1 . THR 13 13 34494 1 . LYS 14 14 34494 1 . ALA 15 15 34494 1 . ASP 16 16 34494 1 . GLY 17 17 34494 1 . GLY 18 18 34494 1 . ARG 19 19 34494 1 . VAL 20 20 34494 1 . GLU 21 21 34494 1 . ILE 22 22 34494 1 . GLY 23 23 34494 1 . ASP 24 24 34494 1 . VAL 25 25 34494 1 . LEU 26 26 34494 1 . GLU 27 27 34494 1 . VAL 28 28 34494 1 . ARG 29 29 34494 1 . ALA 30 30 34494 1 . GLU 31 31 34494 1 . GLY 32 32 34494 1 . GLY 33 33 34494 1 . ALA 34 34 34494 1 . VAL 35 35 34494 1 . ARG 36 36 34494 1 . VAL 37 37 34494 1 . THR 38 38 34494 1 . THR 39 39 34494 1 . LEU 40 40 34494 1 . PHE 41 41 34494 1 . ASP 42 42 34494 1 . GLU 43 43 34494 1 . GLU 44 44 34494 1 . HIS 45 45 34494 1 . ALA 46 46 34494 1 . PHE 47 47 34494 1 . PRO 48 48 34494 1 . GLY 49 49 34494 1 . LEU 50 50 34494 1 . ALA 51 51 34494 1 . ILE 52 52 34494 1 . GLY 53 53 34494 1 . ARG 54 54 34494 1 . VAL 55 55 34494 1 . ASP 56 56 34494 1 . LEU 57 57 34494 1 . ARG 58 58 34494 1 . SER 59 59 34494 1 . GLY 60 60 34494 1 . VAL 61 61 34494 1 . ILE 62 62 34494 1 . SER 63 63 34494 1 . LEU 64 64 34494 1 . ILE 65 65 34494 1 . GLU 66 66 34494 1 . GLU 67 67 34494 1 . GLN 68 68 34494 1 . ASN 69 69 34494 1 . ARG 70 70 34494 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 34494 _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 . 1085 organism . 'Rhodospirillum rubrum' 'Rhodospirillum rubrum' . . Bacteria . Rhodospirillum rubrum . . . . . . . . . . . cooT . 34494 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 34494 _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' . . 562 Escherichia coli . . . . . . . . . . 34494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34494 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] CooT, 90% H2O/10% D2O' _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 CooT '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . . 1 . . mM 0.1 . . . 34494 1 2 'NaP buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 34494 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 34494 _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 34494 1 pH 6.0 . pH 34494 1 pressure 1 . atm 34494 1 temperature 298 . K 34494 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34494 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34494 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34494 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34494 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34494 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34494 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34494 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34494 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34494 3 . 'peak picking' 34494 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34494 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34494 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34494 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 34494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34494 _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 III' . 600 . . . 34494 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 34494 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34494 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 34494 _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 internal indirect 0.251449530 . . . . . 34494 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34494 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34494 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 34494 _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' . . . 34494 1 2 '2D 1H-13C HSQC aliphatic' . . . 34494 1 3 '2D 1H-13C HSQC aromatic' . . . 34494 1 4 '3D CBCA(CO)NH' . . . 34494 1 5 '3D HNCACB' . . . 34494 1 6 '3D 1H-13C NOESY' . . . 34494 1 7 '3D 1H-15N NOESY' . . . 34494 1 8 '3D HNCO' . . . 34494 1 9 '3D H(CCO)NH' . . . 34494 1 10 '3D HNCA' . . . 34494 1 11 '3D HCCH-TOCSY' . . . 34494 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 GLY HA2 H 1 3.992 0.000 . 2 . . . . A -3 GLY HA2 . 34494 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.992 0.000 . 2 . . . . A -3 GLY HA3 . 34494 1 3 . 1 . 1 1 1 GLY CA C 13 43.449 0.000 . 1 . . . . A -3 GLY CA . 34494 1 4 . 1 . 1 2 2 PRO HA H 1 4.486 0.001 . 1 . . . . A -2 PRO HA . 34494 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.309 0.001 . 2 . . . . A -2 PRO HB2 . 34494 1 6 . 1 . 1 2 2 PRO HB3 H 1 2.309 0.001 . 2 . . . . A -2 PRO HB3 . 34494 1 7 . 1 . 1 2 2 PRO HG2 H 1 2.023 0.006 . 2 . . . . A -2 PRO HG2 . 34494 1 8 . 1 . 1 2 2 PRO HG3 H 1 2.023 0.006 . 2 . . . . A -2 PRO HG3 . 34494 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.588 0.000 . 2 . . . . A -2 PRO HD2 . 34494 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.588 0.000 . 2 . . . . A -2 PRO HD3 . 34494 1 11 . 1 . 1 2 2 PRO C C 13 177.377 0.000 . 1 . . . . A -2 PRO C . 34494 1 12 . 1 . 1 2 2 PRO CA C 13 63.455 0.042 . 1 . . . . A -2 PRO CA . 34494 1 13 . 1 . 1 2 2 PRO CB C 13 32.275 0.035 . 1 . . . . A -2 PRO CB . 34494 1 14 . 1 . 1 2 2 PRO CG C 13 27.148 0.024 . 1 . . . . A -2 PRO CG . 34494 1 15 . 1 . 1 2 2 PRO CD C 13 49.673 0.055 . 1 . . . . A -2 PRO CD . 34494 1 16 . 1 . 1 3 3 GLY H H 1 8.611 0.001 . 1 . . . . A -1 GLY H . 34494 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.985 0.001 . 2 . . . . A -1 GLY HA2 . 34494 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.985 0.001 . 2 . . . . A -1 GLY HA3 . 34494 1 19 . 1 . 1 3 3 GLY C C 13 174.077 0.000 . 1 . . . . A -1 GLY C . 34494 1 20 . 1 . 1 3 3 GLY CA C 13 45.313 0.064 . 1 . . . . A -1 GLY CA . 34494 1 21 . 1 . 1 3 3 GLY N N 15 109.792 0.003 . 1 . . . . A -1 GLY N . 34494 1 22 . 1 . 1 4 4 SER H H 1 8.143 0.000 . 1 . . . . A 0 SER H . 34494 1 23 . 1 . 1 4 4 SER HA H 1 4.496 0.005 . 1 . . . . A 0 SER HA . 34494 1 24 . 1 . 1 4 4 SER HB2 H 1 3.876 0.003 . 2 . . . . A 0 SER HB2 . 34494 1 25 . 1 . 1 4 4 SER HB3 H 1 3.832 0.002 . 2 . . . . A 0 SER HB3 . 34494 1 26 . 1 . 1 4 4 SER C C 13 174.320 0.000 . 1 . . . . A 0 SER C . 34494 1 27 . 1 . 1 4 4 SER CA C 13 58.233 0.042 . 1 . . . . A 0 SER CA . 34494 1 28 . 1 . 1 4 4 SER CB C 13 64.098 0.065 . 1 . . . . A 0 SER CB . 34494 1 29 . 1 . 1 4 4 SER N N 15 115.354 0.013 . 1 . . . . A 0 SER N . 34494 1 30 . 1 . 1 5 5 MET H H 1 8.379 0.000 . 1 . . . . A 1 MET H . 34494 1 31 . 1 . 1 5 5 MET HA H 1 4.506 0.017 . 1 . . . . A 1 MET HA . 34494 1 32 . 1 . 1 5 5 MET HB2 H 1 2.548 0.001 . 2 . . . . A 1 MET HB2 . 34494 1 33 . 1 . 1 5 5 MET HB3 H 1 2.548 0.001 . 2 . . . . A 1 MET HB3 . 34494 1 34 . 1 . 1 5 5 MET HG2 H 1 2.061 0.002 . 2 . . . . A 1 MET HG2 . 34494 1 35 . 1 . 1 5 5 MET HG3 H 1 2.061 0.002 . 2 . . . . A 1 MET HG3 . 34494 1 36 . 1 . 1 5 5 MET HE1 H 1 2.063 0.000 . 1 . . . . A 1 MET HE1 . 34494 1 37 . 1 . 1 5 5 MET HE2 H 1 2.063 0.000 . 1 . . . . A 1 MET HE2 . 34494 1 38 . 1 . 1 5 5 MET HE3 H 1 2.063 0.000 . 1 . . . . A 1 MET HE3 . 34494 1 39 . 1 . 1 5 5 MET C C 13 175.828 0.000 . 1 . . . . A 1 MET C . 34494 1 40 . 1 . 1 5 5 MET CA C 13 55.891 0.039 . 1 . . . . A 1 MET CA . 34494 1 41 . 1 . 1 5 5 MET CB C 13 32.021 0.446 . 1 . . . . A 1 MET CB . 34494 1 42 . 1 . 1 5 5 MET CG C 13 33.300 0.050 . 1 . . . . A 1 MET CG . 34494 1 43 . 1 . 1 5 5 MET CE C 13 17.186 0.000 . 1 . . . . A 1 MET CE . 34494 1 44 . 1 . 1 5 5 MET N N 15 121.569 0.015 . 1 . . . . A 1 MET N . 34494 1 45 . 1 . 1 6 6 CYS H H 1 8.411 0.000 . 1 . . . . A 2 CYS H . 34494 1 46 . 1 . 1 6 6 CYS HA H 1 4.701 0.015 . 1 . . . . A 2 CYS HA . 34494 1 47 . 1 . 1 6 6 CYS HB2 H 1 3.201 0.007 . 2 . . . . A 2 CYS HB2 . 34494 1 48 . 1 . 1 6 6 CYS HB3 H 1 3.116 0.007 . 2 . . . . A 2 CYS HB3 . 34494 1 49 . 1 . 1 6 6 CYS C C 13 173.313 0.000 . 1 . . . . A 2 CYS C . 34494 1 50 . 1 . 1 6 6 CYS CA C 13 55.540 0.123 . 1 . . . . A 2 CYS CA . 34494 1 51 . 1 . 1 6 6 CYS CB C 13 42.528 0.059 . 1 . . . . A 2 CYS CB . 34494 1 52 . 1 . 1 6 6 CYS N N 15 119.766 0.000 . 1 . . . . A 2 CYS N . 34494 1 53 . 1 . 1 7 7 MET H H 1 8.129 0.002 . 1 . . . . A 3 MET H . 34494 1 54 . 1 . 1 7 7 MET HA H 1 4.546 0.009 . 1 . . . . A 3 MET HA . 34494 1 55 . 1 . 1 7 7 MET HB2 H 1 2.530 0.004 . 2 . . . . A 3 MET HB2 . 34494 1 56 . 1 . 1 7 7 MET HB3 H 1 2.406 0.003 . 2 . . . . A 3 MET HB3 . 34494 1 57 . 1 . 1 7 7 MET HG2 H 1 2.031 0.004 . 2 . . . . A 3 MET HG2 . 34494 1 58 . 1 . 1 7 7 MET HG3 H 1 1.970 0.029 . 2 . . . . A 3 MET HG3 . 34494 1 59 . 1 . 1 7 7 MET HE1 H 1 2.063 0.000 . 1 . . . . A 3 MET HE1 . 34494 1 60 . 1 . 1 7 7 MET HE2 H 1 2.063 0.000 . 1 . . . . A 3 MET HE2 . 34494 1 61 . 1 . 1 7 7 MET HE3 H 1 2.063 0.000 . 1 . . . . A 3 MET HE3 . 34494 1 62 . 1 . 1 7 7 MET C C 13 174.899 0.000 . 1 . . . . A 3 MET C . 34494 1 63 . 1 . 1 7 7 MET CA C 13 55.470 0.044 . 1 . . . . A 3 MET CA . 34494 1 64 . 1 . 1 7 7 MET CB C 13 32.135 0.070 . 1 . . . . A 3 MET CB . 34494 1 65 . 1 . 1 7 7 MET CG C 13 34.464 0.081 . 1 . . . . A 3 MET CG . 34494 1 66 . 1 . 1 7 7 MET CE C 13 17.178 0.000 . 1 . . . . A 3 MET CE . 34494 1 67 . 1 . 1 7 7 MET N N 15 121.270 0.007 . 1 . . . . A 3 MET N . 34494 1 68 . 1 . 1 8 8 ALA H H 1 8.388 0.002 . 1 . . . . A 4 ALA H . 34494 1 69 . 1 . 1 8 8 ALA HA H 1 4.985 0.002 . 1 . . . . A 4 ALA HA . 34494 1 70 . 1 . 1 8 8 ALA HB1 H 1 1.099 0.001 . 1 . . . . A 4 ALA HB1 . 34494 1 71 . 1 . 1 8 8 ALA HB2 H 1 1.099 0.001 . 1 . . . . A 4 ALA HB2 . 34494 1 72 . 1 . 1 8 8 ALA HB3 H 1 1.099 0.001 . 1 . . . . A 4 ALA HB3 . 34494 1 73 . 1 . 1 8 8 ALA C C 13 175.370 0.000 . 1 . . . . A 4 ALA C . 34494 1 74 . 1 . 1 8 8 ALA CA C 13 50.705 0.046 . 1 . . . . A 4 ALA CA . 34494 1 75 . 1 . 1 8 8 ALA CB C 13 22.310 0.061 . 1 . . . . A 4 ALA CB . 34494 1 76 . 1 . 1 8 8 ALA N N 15 124.057 0.012 . 1 . . . . A 4 ALA N . 34494 1 77 . 1 . 1 9 9 LYS H H 1 8.216 0.000 . 1 . . . . A 5 LYS H . 34494 1 78 . 1 . 1 9 9 LYS HA H 1 5.258 0.003 . 1 . . . . A 5 LYS HA . 34494 1 79 . 1 . 1 9 9 LYS HB2 H 1 1.703 0.006 . 2 . . . . A 5 LYS HB2 . 34494 1 80 . 1 . 1 9 9 LYS HB3 H 1 1.664 0.005 . 2 . . . . A 5 LYS HB3 . 34494 1 81 . 1 . 1 9 9 LYS HG2 H 1 1.394 0.007 . 2 . . . . A 5 LYS HG2 . 34494 1 82 . 1 . 1 9 9 LYS HG3 H 1 1.295 0.002 . 2 . . . . A 5 LYS HG3 . 34494 1 83 . 1 . 1 9 9 LYS HD2 H 1 1.543 0.002 . 2 . . . . A 5 LYS HD2 . 34494 1 84 . 1 . 1 9 9 LYS HD3 H 1 1.543 0.002 . 2 . . . . A 5 LYS HD3 . 34494 1 85 . 1 . 1 9 9 LYS HE2 H 1 2.855 0.003 . 2 . . . . A 5 LYS HE2 . 34494 1 86 . 1 . 1 9 9 LYS HE3 H 1 2.790 0.001 . 2 . . . . A 5 LYS HE3 . 34494 1 87 . 1 . 1 9 9 LYS C C 13 175.308 0.000 . 1 . . . . A 5 LYS C . 34494 1 88 . 1 . 1 9 9 LYS CA C 13 54.194 0.047 . 1 . . . . A 5 LYS CA . 34494 1 89 . 1 . 1 9 9 LYS CB C 13 35.857 0.070 . 1 . . . . A 5 LYS CB . 34494 1 90 . 1 . 1 9 9 LYS CG C 13 24.405 0.023 . 1 . . . . A 5 LYS CG . 34494 1 91 . 1 . 1 9 9 LYS CD C 13 29.668 0.028 . 1 . . . . A 5 LYS CD . 34494 1 92 . 1 . 1 9 9 LYS CE C 13 42.054 0.041 . 1 . . . . A 5 LYS CE . 34494 1 93 . 1 . 1 9 9 LYS N N 15 117.597 0.000 . 1 . . . . A 5 LYS N . 34494 1 94 . 1 . 1 10 10 VAL H H 1 9.071 0.002 . 1 . . . . A 6 VAL H . 34494 1 95 . 1 . 1 10 10 VAL HA H 1 5.270 0.008 . 1 . . . . A 6 VAL HA . 34494 1 96 . 1 . 1 10 10 VAL HB H 1 1.773 0.001 . 1 . . . . A 6 VAL HB . 34494 1 97 . 1 . 1 10 10 VAL HG11 H 1 0.749 0.001 . 2 . . . . A 6 VAL HG11 . 34494 1 98 . 1 . 1 10 10 VAL HG12 H 1 0.749 0.001 . 2 . . . . A 6 VAL HG12 . 34494 1 99 . 1 . 1 10 10 VAL HG13 H 1 0.749 0.001 . 2 . . . . A 6 VAL HG13 . 34494 1 100 . 1 . 1 10 10 VAL HG21 H 1 0.947 0.001 . 2 . . . . A 6 VAL HG21 . 34494 1 101 . 1 . 1 10 10 VAL HG22 H 1 0.947 0.001 . 2 . . . . A 6 VAL HG22 . 34494 1 102 . 1 . 1 10 10 VAL HG23 H 1 0.947 0.001 . 2 . . . . A 6 VAL HG23 . 34494 1 103 . 1 . 1 10 10 VAL C C 13 174.535 0.000 . 1 . . . . A 6 VAL C . 34494 1 104 . 1 . 1 10 10 VAL CA C 13 59.931 0.066 . 1 . . . . A 6 VAL CA . 34494 1 105 . 1 . 1 10 10 VAL CB C 13 33.924 0.042 . 1 . . . . A 6 VAL CB . 34494 1 106 . 1 . 1 10 10 VAL CG1 C 13 21.723 0.157 . 1 . . . . A 6 VAL CG1 . 34494 1 107 . 1 . 1 10 10 VAL CG2 C 13 24.800 0.017 . 1 . . . . A 6 VAL CG2 . 34494 1 108 . 1 . 1 10 10 VAL N N 15 123.018 0.000 . 1 . . . . A 6 VAL N . 34494 1 109 . 1 . 1 11 11 VAL H H 1 8.710 0.002 . 1 . . . . A 7 VAL H . 34494 1 110 . 1 . 1 11 11 VAL HA H 1 5.120 0.018 . 1 . . . . A 7 VAL HA . 34494 1 111 . 1 . 1 11 11 VAL HB H 1 1.866 0.003 . 1 . . . . A 7 VAL HB . 34494 1 112 . 1 . 1 11 11 VAL HG11 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG11 . 34494 1 113 . 1 . 1 11 11 VAL HG12 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG12 . 34494 1 114 . 1 . 1 11 11 VAL HG13 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG13 . 34494 1 115 . 1 . 1 11 11 VAL HG21 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG21 . 34494 1 116 . 1 . 1 11 11 VAL HG22 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG22 . 34494 1 117 . 1 . 1 11 11 VAL HG23 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG23 . 34494 1 118 . 1 . 1 11 11 VAL C C 13 174.204 0.000 . 1 . . . . A 7 VAL C . 34494 1 119 . 1 . 1 11 11 VAL CA C 13 59.985 0.046 . 1 . . . . A 7 VAL CA . 34494 1 120 . 1 . 1 11 11 VAL CB C 13 35.039 0.063 . 1 . . . . A 7 VAL CB . 34494 1 121 . 1 . 1 11 11 VAL CG1 C 13 21.236 0.059 . 1 . . . . A 7 VAL CG1 . 34494 1 122 . 1 . 1 11 11 VAL CG2 C 13 21.155 0.029 . 1 . . . . A 7 VAL CG2 . 34494 1 123 . 1 . 1 11 11 VAL N N 15 123.572 0.004 . 1 . . . . A 7 VAL N . 34494 1 124 . 1 . 1 12 12 LEU H H 1 8.722 0.003 . 1 . . . . A 8 LEU H . 34494 1 125 . 1 . 1 12 12 LEU HA H 1 4.701 0.009 . 1 . . . . A 8 LEU HA . 34494 1 126 . 1 . 1 12 12 LEU HB2 H 1 1.314 0.001 . 2 . . . . A 8 LEU HB2 . 34494 1 127 . 1 . 1 12 12 LEU HB3 H 1 1.479 0.001 . 2 . . . . A 8 LEU HB3 . 34494 1 128 . 1 . 1 12 12 LEU HG H 1 1.284 0.004 . 1 . . . . A 8 LEU HG . 34494 1 129 . 1 . 1 12 12 LEU HD11 H 1 0.364 0.001 . 2 . . . . A 8 LEU HD11 . 34494 1 130 . 1 . 1 12 12 LEU HD12 H 1 0.364 0.001 . 2 . . . . A 8 LEU HD12 . 34494 1 131 . 1 . 1 12 12 LEU HD13 H 1 0.364 0.001 . 2 . . . . A 8 LEU HD13 . 34494 1 132 . 1 . 1 12 12 LEU HD21 H 1 0.162 0.001 . 2 . . . . A 8 LEU HD21 . 34494 1 133 . 1 . 1 12 12 LEU HD22 H 1 0.162 0.001 . 2 . . . . A 8 LEU HD22 . 34494 1 134 . 1 . 1 12 12 LEU HD23 H 1 0.162 0.001 . 2 . . . . A 8 LEU HD23 . 34494 1 135 . 1 . 1 12 12 LEU C C 13 174.598 0.000 . 1 . . . . A 8 LEU C . 34494 1 136 . 1 . 1 12 12 LEU CA C 13 54.376 0.047 . 1 . . . . A 8 LEU CA . 34494 1 137 . 1 . 1 12 12 LEU CB C 13 44.271 0.064 . 1 . . . . A 8 LEU CB . 34494 1 138 . 1 . 1 12 12 LEU CG C 13 26.622 0.055 . 1 . . . . A 8 LEU CG . 34494 1 139 . 1 . 1 12 12 LEU CD1 C 13 25.404 0.056 . 1 . . . . A 8 LEU CD1 . 34494 1 140 . 1 . 1 12 12 LEU CD2 C 13 26.511 0.040 . 1 . . . . A 8 LEU CD2 . 34494 1 141 . 1 . 1 12 12 LEU N N 15 124.469 0.007 . 1 . . . . A 8 LEU N . 34494 1 142 . 1 . 1 13 13 THR H H 1 8.591 0.000 . 1 . . . . A 9 THR H . 34494 1 143 . 1 . 1 13 13 THR HA H 1 4.796 0.020 . 1 . . . . A 9 THR HA . 34494 1 144 . 1 . 1 13 13 THR HB H 1 3.973 0.002 . 1 . . . . A 9 THR HB . 34494 1 145 . 1 . 1 13 13 THR HG21 H 1 1.191 0.001 . 1 . . . . A 9 THR HG21 . 34494 1 146 . 1 . 1 13 13 THR HG22 H 1 1.191 0.001 . 1 . . . . A 9 THR HG22 . 34494 1 147 . 1 . 1 13 13 THR HG23 H 1 1.191 0.001 . 1 . . . . A 9 THR HG23 . 34494 1 148 . 1 . 1 13 13 THR C C 13 174.568 0.000 . 1 . . . . A 9 THR C . 34494 1 149 . 1 . 1 13 13 THR CA C 13 61.548 0.073 . 1 . . . . A 9 THR CA . 34494 1 150 . 1 . 1 13 13 THR CB C 13 69.757 0.291 . 1 . . . . A 9 THR CB . 34494 1 151 . 1 . 1 13 13 THR CG2 C 13 21.486 0.026 . 1 . . . . A 9 THR CG2 . 34494 1 152 . 1 . 1 13 13 THR N N 15 118.115 0.000 . 1 . . . . A 9 THR N . 34494 1 153 . 1 . 1 14 14 LYS H H 1 8.748 0.002 . 1 . . . . A 10 LYS H . 34494 1 154 . 1 . 1 14 14 LYS HA H 1 4.363 0.004 . 1 . . . . A 10 LYS HA . 34494 1 155 . 1 . 1 14 14 LYS HB2 H 1 1.962 0.003 . 2 . . . . A 10 LYS HB2 . 34494 1 156 . 1 . 1 14 14 LYS HB3 H 1 1.868 0.005 . 2 . . . . A 10 LYS HB3 . 34494 1 157 . 1 . 1 14 14 LYS HG2 H 1 1.373 0.002 . 2 . . . . A 10 LYS HG2 . 34494 1 158 . 1 . 1 14 14 LYS HG3 H 1 1.373 0.002 . 2 . . . . A 10 LYS HG3 . 34494 1 159 . 1 . 1 14 14 LYS HD2 H 1 1.669 0.001 . 2 . . . . A 10 LYS HD2 . 34494 1 160 . 1 . 1 14 14 LYS HD3 H 1 1.669 0.001 . 2 . . . . A 10 LYS HD3 . 34494 1 161 . 1 . 1 14 14 LYS HE2 H 1 3.014 0.001 . 2 . . . . A 10 LYS HE2 . 34494 1 162 . 1 . 1 14 14 LYS HE3 H 1 2.870 0.001 . 2 . . . . A 10 LYS HE3 . 34494 1 163 . 1 . 1 14 14 LYS C C 13 178.400 0.000 . 1 . . . . A 10 LYS C . 34494 1 164 . 1 . 1 14 14 LYS CA C 13 55.744 0.016 . 1 . . . . A 10 LYS CA . 34494 1 165 . 1 . 1 14 14 LYS CB C 13 34.020 0.067 . 1 . . . . A 10 LYS CB . 34494 1 166 . 1 . 1 14 14 LYS CG C 13 25.453 0.021 . 1 . . . . A 10 LYS CG . 34494 1 167 . 1 . 1 14 14 LYS CD C 13 29.109 0.031 . 1 . . . . A 10 LYS CD . 34494 1 168 . 1 . 1 14 14 LYS CE C 13 41.605 0.020 . 1 . . . . A 10 LYS CE . 34494 1 169 . 1 . 1 14 14 LYS N N 15 125.471 0.000 . 1 . . . . A 10 LYS N . 34494 1 170 . 1 . 1 15 15 ALA H H 1 8.971 0.002 . 1 . . . . A 11 ALA H . 34494 1 171 . 1 . 1 15 15 ALA HA H 1 4.109 0.001 . 1 . . . . A 11 ALA HA . 34494 1 172 . 1 . 1 15 15 ALA HB1 H 1 1.462 0.001 . 1 . . . . A 11 ALA HB1 . 34494 1 173 . 1 . 1 15 15 ALA HB2 H 1 1.462 0.001 . 1 . . . . A 11 ALA HB2 . 34494 1 174 . 1 . 1 15 15 ALA HB3 H 1 1.462 0.001 . 1 . . . . A 11 ALA HB3 . 34494 1 175 . 1 . 1 15 15 ALA C C 13 178.408 0.000 . 1 . . . . A 11 ALA C . 34494 1 176 . 1 . 1 15 15 ALA CA C 13 54.977 0.052 . 1 . . . . A 11 ALA CA . 34494 1 177 . 1 . 1 15 15 ALA CB C 13 18.265 0.075 . 1 . . . . A 11 ALA CB . 34494 1 178 . 1 . 1 15 15 ALA N N 15 124.997 0.000 . 1 . . . . A 11 ALA N . 34494 1 179 . 1 . 1 16 16 ASP H H 1 7.778 0.002 . 1 . . . . A 12 ASP H . 34494 1 180 . 1 . 1 16 16 ASP HA H 1 4.497 0.003 . 1 . . . . A 12 ASP HA . 34494 1 181 . 1 . 1 16 16 ASP HB2 H 1 3.031 0.003 . 2 . . . . A 12 ASP HB2 . 34494 1 182 . 1 . 1 16 16 ASP HB3 H 1 2.600 0.003 . 2 . . . . A 12 ASP HB3 . 34494 1 183 . 1 . 1 16 16 ASP C C 13 176.989 0.000 . 1 . . . . A 12 ASP C . 34494 1 184 . 1 . 1 16 16 ASP CA C 13 53.338 0.108 . 1 . . . . A 12 ASP CA . 34494 1 185 . 1 . 1 16 16 ASP CB C 13 39.970 0.070 . 1 . . . . A 12 ASP CB . 34494 1 186 . 1 . 1 16 16 ASP N N 15 113.874 0.000 . 1 . . . . A 12 ASP N . 34494 1 187 . 1 . 1 17 17 GLY H H 1 8.121 0.002 . 1 . . . . A 13 GLY H . 34494 1 188 . 1 . 1 17 17 GLY HA2 H 1 4.341 0.005 . 2 . . . . A 13 GLY HA2 . 34494 1 189 . 1 . 1 17 17 GLY HA3 H 1 3.567 0.000 . 2 . . . . A 13 GLY HA3 . 34494 1 190 . 1 . 1 17 17 GLY C C 13 175.078 0.000 . 1 . . . . A 13 GLY C . 34494 1 191 . 1 . 1 17 17 GLY CA C 13 44.866 0.082 . 1 . . . . A 13 GLY CA . 34494 1 192 . 1 . 1 17 17 GLY N N 15 108.964 0.000 . 1 . . . . A 13 GLY N . 34494 1 193 . 1 . 1 18 18 GLY H H 1 8.487 0.001 . 1 . . . . A 14 GLY H . 34494 1 194 . 1 . 1 18 18 GLY HA2 H 1 4.023 0.003 . 2 . . . . A 14 GLY HA2 . 34494 1 195 . 1 . 1 18 18 GLY HA3 H 1 3.744 0.003 . 2 . . . . A 14 GLY HA3 . 34494 1 196 . 1 . 1 18 18 GLY C C 13 172.215 0.000 . 1 . . . . A 14 GLY C . 34494 1 197 . 1 . 1 18 18 GLY CA C 13 45.478 0.043 . 1 . . . . A 14 GLY CA . 34494 1 198 . 1 . 1 18 18 GLY N N 15 110.032 0.004 . 1 . . . . A 14 GLY N . 34494 1 199 . 1 . 1 19 19 ARG H H 1 8.454 0.002 . 1 . . . . A 15 ARG H . 34494 1 200 . 1 . 1 19 19 ARG HA H 1 5.081 0.010 . 1 . . . . A 15 ARG HA . 34494 1 201 . 1 . 1 19 19 ARG HB2 H 1 1.738 0.001 . 2 . . . . A 15 ARG HB2 . 34494 1 202 . 1 . 1 19 19 ARG HB3 H 1 1.738 0.001 . 2 . . . . A 15 ARG HB3 . 34494 1 203 . 1 . 1 19 19 ARG HG2 H 1 1.594 0.001 . 2 . . . . A 15 ARG HG2 . 34494 1 204 . 1 . 1 19 19 ARG HG3 H 1 1.505 0.003 . 2 . . . . A 15 ARG HG3 . 34494 1 205 . 1 . 1 19 19 ARG HD2 H 1 3.135 0.002 . 2 . . . . A 15 ARG HD2 . 34494 1 206 . 1 . 1 19 19 ARG HD3 H 1 3.135 0.002 . 2 . . . . A 15 ARG HD3 . 34494 1 207 . 1 . 1 19 19 ARG HE H 1 7.329 0.000 . 1 . . . . A 15 ARG HE . 34494 1 208 . 1 . 1 19 19 ARG C C 13 176.189 0.000 . 1 . . . . A 15 ARG C . 34494 1 209 . 1 . 1 19 19 ARG CA C 13 55.305 0.073 . 1 . . . . A 15 ARG CA . 34494 1 210 . 1 . 1 19 19 ARG CB C 13 32.642 0.051 . 1 . . . . A 15 ARG CB . 34494 1 211 . 1 . 1 19 19 ARG CG C 13 27.610 0.033 . 1 . . . . A 15 ARG CG . 34494 1 212 . 1 . 1 19 19 ARG CD C 13 43.572 0.036 . 1 . . . . A 15 ARG CD . 34494 1 213 . 1 . 1 19 19 ARG N N 15 122.673 0.000 . 1 . . . . A 15 ARG N . 34494 1 214 . 1 . 1 19 19 ARG NE N 15 84.796 0.006 . 1 . . . . A 15 ARG NE . 34494 1 215 . 1 . 1 20 20 VAL H H 1 8.865 0.002 . 1 . . . . A 16 VAL H . 34494 1 216 . 1 . 1 20 20 VAL HA H 1 4.238 0.002 . 1 . . . . A 16 VAL HA . 34494 1 217 . 1 . 1 20 20 VAL HB H 1 1.770 0.001 . 1 . . . . A 16 VAL HB . 34494 1 218 . 1 . 1 20 20 VAL HG11 H 1 0.873 0.007 . 2 . . . . A 16 VAL HG11 . 34494 1 219 . 1 . 1 20 20 VAL HG12 H 1 0.873 0.007 . 2 . . . . A 16 VAL HG12 . 34494 1 220 . 1 . 1 20 20 VAL HG13 H 1 0.873 0.007 . 2 . . . . A 16 VAL HG13 . 34494 1 221 . 1 . 1 20 20 VAL HG21 H 1 0.837 0.006 . 2 . . . . A 16 VAL HG21 . 34494 1 222 . 1 . 1 20 20 VAL HG22 H 1 0.837 0.006 . 2 . . . . A 16 VAL HG22 . 34494 1 223 . 1 . 1 20 20 VAL HG23 H 1 0.837 0.006 . 2 . . . . A 16 VAL HG23 . 34494 1 224 . 1 . 1 20 20 VAL C C 13 173.687 0.000 . 1 . . . . A 16 VAL C . 34494 1 225 . 1 . 1 20 20 VAL CA C 13 61.660 0.026 . 1 . . . . A 16 VAL CA . 34494 1 226 . 1 . 1 20 20 VAL CB C 13 34.835 0.066 . 1 . . . . A 16 VAL CB . 34494 1 227 . 1 . 1 20 20 VAL CG1 C 13 21.093 0.083 . 1 . . . . A 16 VAL CG1 . 34494 1 228 . 1 . 1 20 20 VAL CG2 C 13 20.836 0.054 . 1 . . . . A 16 VAL CG2 . 34494 1 229 . 1 . 1 20 20 VAL N N 15 126.310 0.000 . 1 . . . . A 16 VAL N . 34494 1 230 . 1 . 1 21 21 GLU H H 1 8.377 0.002 . 1 . . . . A 17 GLU H . 34494 1 231 . 1 . 1 21 21 GLU HA H 1 5.417 0.002 . 1 . . . . A 17 GLU HA . 34494 1 232 . 1 . 1 21 21 GLU HB2 H 1 1.841 0.002 . 2 . . . . A 17 GLU HB2 . 34494 1 233 . 1 . 1 21 21 GLU HB3 H 1 1.841 0.002 . 2 . . . . A 17 GLU HB3 . 34494 1 234 . 1 . 1 21 21 GLU HG2 H 1 2.153 0.006 . 2 . . . . A 17 GLU HG2 . 34494 1 235 . 1 . 1 21 21 GLU HG3 H 1 2.031 0.005 . 2 . . . . A 17 GLU HG3 . 34494 1 236 . 1 . 1 21 21 GLU C C 13 175.747 0.000 . 1 . . . . A 17 GLU C . 34494 1 237 . 1 . 1 21 21 GLU CA C 13 54.237 0.050 . 1 . . . . A 17 GLU CA . 34494 1 238 . 1 . 1 21 21 GLU CB C 13 32.621 0.089 . 1 . . . . A 17 GLU CB . 34494 1 239 . 1 . 1 21 21 GLU CG C 13 36.732 0.056 . 1 . . . . A 17 GLU CG . 34494 1 240 . 1 . 1 21 21 GLU N N 15 124.221 0.000 . 1 . . . . A 17 GLU N . 34494 1 241 . 1 . 1 22 22 ILE H H 1 9.308 0.002 . 1 . . . . A 18 ILE H . 34494 1 242 . 1 . 1 22 22 ILE HA H 1 4.228 0.002 . 1 . . . . A 18 ILE HA . 34494 1 243 . 1 . 1 22 22 ILE HB H 1 1.507 0.002 . 1 . . . . A 18 ILE HB . 34494 1 244 . 1 . 1 22 22 ILE HG12 H 1 1.245 0.003 . 2 . . . . A 18 ILE HG12 . 34494 1 245 . 1 . 1 22 22 ILE HG13 H 1 0.857 0.004 . 2 . . . . A 18 ILE HG13 . 34494 1 246 . 1 . 1 22 22 ILE HG21 H 1 0.810 0.002 . 1 . . . . A 18 ILE HG21 . 34494 1 247 . 1 . 1 22 22 ILE HG22 H 1 0.810 0.002 . 1 . . . . A 18 ILE HG22 . 34494 1 248 . 1 . 1 22 22 ILE HG23 H 1 0.810 0.002 . 1 . . . . A 18 ILE HG23 . 34494 1 249 . 1 . 1 22 22 ILE HD11 H 1 0.554 0.002 . 1 . . . . A 18 ILE HD11 . 34494 1 250 . 1 . 1 22 22 ILE HD12 H 1 0.554 0.002 . 1 . . . . A 18 ILE HD12 . 34494 1 251 . 1 . 1 22 22 ILE HD13 H 1 0.554 0.002 . 1 . . . . A 18 ILE HD13 . 34494 1 252 . 1 . 1 22 22 ILE C C 13 174.943 0.000 . 1 . . . . A 18 ILE C . 34494 1 253 . 1 . 1 22 22 ILE CA C 13 60.437 0.041 . 1 . . . . A 18 ILE CA . 34494 1 254 . 1 . 1 22 22 ILE CB C 13 40.708 0.072 . 1 . . . . A 18 ILE CB . 34494 1 255 . 1 . 1 22 22 ILE CG1 C 13 27.099 0.020 . 1 . . . . A 18 ILE CG1 . 34494 1 256 . 1 . 1 22 22 ILE CG2 C 13 17.592 0.017 . 1 . . . . A 18 ILE CG2 . 34494 1 257 . 1 . 1 22 22 ILE CD1 C 13 13.622 0.015 . 1 . . . . A 18 ILE CD1 . 34494 1 258 . 1 . 1 22 22 ILE N N 15 126.145 0.000 . 1 . . . . A 18 ILE N . 34494 1 259 . 1 . 1 23 23 GLY H H 1 8.505 0.002 . 1 . . . . A 19 GLY H . 34494 1 260 . 1 . 1 23 23 GLY HA2 H 1 4.581 0.007 . 2 . . . . A 19 GLY HA2 . 34494 1 261 . 1 . 1 23 23 GLY HA3 H 1 3.790 0.002 . 2 . . . . A 19 GLY HA3 . 34494 1 262 . 1 . 1 23 23 GLY C C 13 173.104 0.000 . 1 . . . . A 19 GLY C . 34494 1 263 . 1 . 1 23 23 GLY CA C 13 43.991 0.063 . 1 . . . . A 19 GLY CA . 34494 1 264 . 1 . 1 23 23 GLY N N 15 113.054 0.001 . 1 . . . . A 19 GLY N . 34494 1 265 . 1 . 1 24 24 ASP H H 1 8.599 0.001 . 1 . . . . A 20 ASP H . 34494 1 266 . 1 . 1 24 24 ASP HA H 1 4.328 0.005 . 1 . . . . A 20 ASP HA . 34494 1 267 . 1 . 1 24 24 ASP HB2 H 1 3.000 0.002 . 2 . . . . A 20 ASP HB2 . 34494 1 268 . 1 . 1 24 24 ASP HB3 H 1 2.761 0.003 . 2 . . . . A 20 ASP HB3 . 34494 1 269 . 1 . 1 24 24 ASP C C 13 174.899 0.000 . 1 . . . . A 20 ASP C . 34494 1 270 . 1 . 1 24 24 ASP CA C 13 55.323 0.037 . 1 . . . . A 20 ASP CA . 34494 1 271 . 1 . 1 24 24 ASP CB C 13 39.560 0.050 . 1 . . . . A 20 ASP CB . 34494 1 272 . 1 . 1 24 24 ASP N N 15 114.138 0.000 . 1 . . . . A 20 ASP N . 34494 1 273 . 1 . 1 25 25 VAL H H 1 8.199 0.000 . 1 . . . . A 21 VAL H . 34494 1 274 . 1 . 1 25 25 VAL HA H 1 3.620 0.003 . 1 . . . . A 21 VAL HA . 34494 1 275 . 1 . 1 25 25 VAL HB H 1 1.709 0.004 . 1 . . . . A 21 VAL HB . 34494 1 276 . 1 . 1 25 25 VAL HG11 H 1 0.763 0.002 . 2 . . . . A 21 VAL HG11 . 34494 1 277 . 1 . 1 25 25 VAL HG12 H 1 0.763 0.002 . 2 . . . . A 21 VAL HG12 . 34494 1 278 . 1 . 1 25 25 VAL HG13 H 1 0.763 0.002 . 2 . . . . A 21 VAL HG13 . 34494 1 279 . 1 . 1 25 25 VAL HG21 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG21 . 34494 1 280 . 1 . 1 25 25 VAL HG22 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG22 . 34494 1 281 . 1 . 1 25 25 VAL HG23 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG23 . 34494 1 282 . 1 . 1 25 25 VAL C C 13 174.990 0.000 . 1 . . . . A 21 VAL C . 34494 1 283 . 1 . 1 25 25 VAL CA C 13 64.668 0.074 . 1 . . . . A 21 VAL CA . 34494 1 284 . 1 . 1 25 25 VAL CB C 13 32.496 0.081 . 1 . . . . A 21 VAL CB . 34494 1 285 . 1 . 1 25 25 VAL CG1 C 13 23.406 0.066 . 1 . . . . A 21 VAL CG1 . 34494 1 286 . 1 . 1 25 25 VAL CG2 C 13 22.556 0.051 . 1 . . . . A 21 VAL CG2 . 34494 1 287 . 1 . 1 25 25 VAL N N 15 117.014 0.000 . 1 . . . . A 21 VAL N . 34494 1 288 . 1 . 1 26 26 LEU H H 1 8.669 0.000 . 1 . . . . A 22 LEU H . 34494 1 289 . 1 . 1 26 26 LEU HA H 1 4.607 0.004 . 1 . . . . A 22 LEU HA . 34494 1 290 . 1 . 1 26 26 LEU HB2 H 1 1.436 0.006 . 2 . . . . A 22 LEU HB2 . 34494 1 291 . 1 . 1 26 26 LEU HB3 H 1 1.285 0.001 . 2 . . . . A 22 LEU HB3 . 34494 1 292 . 1 . 1 26 26 LEU HG H 1 1.471 0.004 . 1 . . . . A 22 LEU HG . 34494 1 293 . 1 . 1 26 26 LEU HD11 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD11 . 34494 1 294 . 1 . 1 26 26 LEU HD12 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD12 . 34494 1 295 . 1 . 1 26 26 LEU HD13 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD13 . 34494 1 296 . 1 . 1 26 26 LEU HD21 H 1 0.853 0.001 . 2 . . . . A 22 LEU HD21 . 34494 1 297 . 1 . 1 26 26 LEU HD22 H 1 0.853 0.001 . 2 . . . . A 22 LEU HD22 . 34494 1 298 . 1 . 1 26 26 LEU HD23 H 1 0.853 0.001 . 2 . . . . A 22 LEU HD23 . 34494 1 299 . 1 . 1 26 26 LEU C C 13 175.776 0.000 . 1 . . . . A 22 LEU C . 34494 1 300 . 1 . 1 26 26 LEU CA C 13 55.202 0.031 . 1 . . . . A 22 LEU CA . 34494 1 301 . 1 . 1 26 26 LEU CB C 13 45.223 0.044 . 1 . . . . A 22 LEU CB . 34494 1 302 . 1 . 1 26 26 LEU CG C 13 27.106 0.036 . 1 . . . . A 22 LEU CG . 34494 1 303 . 1 . 1 26 26 LEU CD1 C 13 24.403 0.447 . 1 . . . . A 22 LEU CD1 . 34494 1 304 . 1 . 1 26 26 LEU CD2 C 13 25.439 0.056 . 1 . . . . A 22 LEU CD2 . 34494 1 305 . 1 . 1 26 26 LEU N N 15 124.076 0.000 . 1 . . . . A 22 LEU N . 34494 1 306 . 1 . 1 27 27 GLU H H 1 7.730 0.000 . 1 . . . . A 23 GLU H . 34494 1 307 . 1 . 1 27 27 GLU HA H 1 5.291 0.003 . 1 . . . . A 23 GLU HA . 34494 1 308 . 1 . 1 27 27 GLU HB2 H 1 2.122 0.002 . 2 . . . . A 23 GLU HB2 . 34494 1 309 . 1 . 1 27 27 GLU HB3 H 1 1.933 0.001 . 2 . . . . A 23 GLU HB3 . 34494 1 310 . 1 . 1 27 27 GLU HG2 H 1 2.240 0.002 . 2 . . . . A 23 GLU HG2 . 34494 1 311 . 1 . 1 27 27 GLU HG3 H 1 2.130 0.005 . 2 . . . . A 23 GLU HG3 . 34494 1 312 . 1 . 1 27 27 GLU C C 13 174.051 0.000 . 1 . . . . A 23 GLU C . 34494 1 313 . 1 . 1 27 27 GLU CA C 13 55.163 0.027 . 1 . . . . A 23 GLU CA . 34494 1 314 . 1 . 1 27 27 GLU CB C 13 33.653 0.099 . 1 . . . . A 23 GLU CB . 34494 1 315 . 1 . 1 27 27 GLU CG C 13 37.235 0.024 . 1 . . . . A 23 GLU CG . 34494 1 316 . 1 . 1 27 27 GLU N N 15 117.558 0.000 . 1 . . . . A 23 GLU N . 34494 1 317 . 1 . 1 28 28 VAL H H 1 8.668 0.001 . 1 . . . . A 24 VAL H . 34494 1 318 . 1 . 1 28 28 VAL HA H 1 5.057 0.017 . 1 . . . . A 24 VAL HA . 34494 1 319 . 1 . 1 28 28 VAL HB H 1 1.772 0.002 . 1 . . . . A 24 VAL HB . 34494 1 320 . 1 . 1 28 28 VAL HG11 H 1 0.882 0.002 . 2 . . . . A 24 VAL HG11 . 34494 1 321 . 1 . 1 28 28 VAL HG12 H 1 0.882 0.002 . 2 . . . . A 24 VAL HG12 . 34494 1 322 . 1 . 1 28 28 VAL HG13 H 1 0.882 0.002 . 2 . . . . A 24 VAL HG13 . 34494 1 323 . 1 . 1 28 28 VAL HG21 H 1 0.866 0.005 . 2 . . . . A 24 VAL HG21 . 34494 1 324 . 1 . 1 28 28 VAL HG22 H 1 0.866 0.005 . 2 . . . . A 24 VAL HG22 . 34494 1 325 . 1 . 1 28 28 VAL HG23 H 1 0.866 0.005 . 2 . . . . A 24 VAL HG23 . 34494 1 326 . 1 . 1 28 28 VAL C C 13 174.167 0.000 . 1 . . . . A 24 VAL C . 34494 1 327 . 1 . 1 28 28 VAL CA C 13 60.715 0.103 . 1 . . . . A 24 VAL CA . 34494 1 328 . 1 . 1 28 28 VAL CB C 13 35.010 0.060 . 1 . . . . A 24 VAL CB . 34494 1 329 . 1 . 1 28 28 VAL CG1 C 13 23.291 0.040 . 1 . . . . A 24 VAL CG1 . 34494 1 330 . 1 . 1 28 28 VAL CG2 C 13 23.200 0.051 . 1 . . . . A 24 VAL CG2 . 34494 1 331 . 1 . 1 28 28 VAL N N 15 123.263 0.018 . 1 . . . . A 24 VAL N . 34494 1 332 . 1 . 1 29 29 ARG H H 1 9.272 0.001 . 1 . . . . A 25 ARG H . 34494 1 333 . 1 . 1 29 29 ARG HA H 1 5.160 0.006 . 1 . . . . A 25 ARG HA . 34494 1 334 . 1 . 1 29 29 ARG HB2 H 1 1.814 0.001 . 2 . . . . A 25 ARG HB2 . 34494 1 335 . 1 . 1 29 29 ARG HB3 H 1 1.814 0.001 . 2 . . . . A 25 ARG HB3 . 34494 1 336 . 1 . 1 29 29 ARG HG2 H 1 1.593 0.000 . 2 . . . . A 25 ARG HG2 . 34494 1 337 . 1 . 1 29 29 ARG HG3 H 1 1.510 0.003 . 2 . . . . A 25 ARG HG3 . 34494 1 338 . 1 . 1 29 29 ARG HD2 H 1 3.186 0.003 . 2 . . . . A 25 ARG HD2 . 34494 1 339 . 1 . 1 29 29 ARG HD3 H 1 3.088 0.003 . 2 . . . . A 25 ARG HD3 . 34494 1 340 . 1 . 1 29 29 ARG HE H 1 7.476 0.001 . 1 . . . . A 25 ARG HE . 34494 1 341 . 1 . 1 29 29 ARG C C 13 173.369 0.000 . 1 . . . . A 25 ARG C . 34494 1 342 . 1 . 1 29 29 ARG CA C 13 54.877 0.013 . 1 . . . . A 25 ARG CA . 34494 1 343 . 1 . 1 29 29 ARG CB C 13 34.431 0.053 . 1 . . . . A 25 ARG CB . 34494 1 344 . 1 . 1 29 29 ARG CG C 13 27.460 0.017 . 1 . . . . A 25 ARG CG . 34494 1 345 . 1 . 1 29 29 ARG CD C 13 43.560 0.102 . 1 . . . . A 25 ARG CD . 34494 1 346 . 1 . 1 29 29 ARG N N 15 125.462 0.000 . 1 . . . . A 25 ARG N . 34494 1 347 . 1 . 1 29 29 ARG NE N 15 84.141 0.001 . 1 . . . . A 25 ARG NE . 34494 1 348 . 1 . 1 30 30 ALA H H 1 9.048 0.000 . 1 . . . . A 26 ALA H . 34494 1 349 . 1 . 1 30 30 ALA HA H 1 5.246 0.004 . 1 . . . . A 26 ALA HA . 34494 1 350 . 1 . 1 30 30 ALA HB1 H 1 1.493 0.001 . 1 . . . . A 26 ALA HB1 . 34494 1 351 . 1 . 1 30 30 ALA HB2 H 1 1.493 0.001 . 1 . . . . A 26 ALA HB2 . 34494 1 352 . 1 . 1 30 30 ALA HB3 H 1 1.493 0.001 . 1 . . . . A 26 ALA HB3 . 34494 1 353 . 1 . 1 30 30 ALA C C 13 175.823 0.000 . 1 . . . . A 26 ALA C . 34494 1 354 . 1 . 1 30 30 ALA CA C 13 51.092 0.061 . 1 . . . . A 26 ALA CA . 34494 1 355 . 1 . 1 30 30 ALA CB C 13 19.523 0.083 . 1 . . . . A 26 ALA CB . 34494 1 356 . 1 . 1 30 30 ALA N N 15 129.416 0.000 . 1 . . . . A 26 ALA N . 34494 1 357 . 1 . 1 31 31 GLU H H 1 8.580 0.001 . 1 . . . . A 27 GLU H . 34494 1 358 . 1 . 1 31 31 GLU HA H 1 4.610 0.002 . 1 . . . . A 27 GLU HA . 34494 1 359 . 1 . 1 31 31 GLU HB2 H 1 1.992 0.001 . 2 . . . . A 27 GLU HB2 . 34494 1 360 . 1 . 1 31 31 GLU HB3 H 1 1.942 0.001 . 2 . . . . A 27 GLU HB3 . 34494 1 361 . 1 . 1 31 31 GLU HG2 H 1 2.130 0.003 . 2 . . . . A 27 GLU HG2 . 34494 1 362 . 1 . 1 31 31 GLU HG3 H 1 2.130 0.003 . 2 . . . . A 27 GLU HG3 . 34494 1 363 . 1 . 1 31 31 GLU C C 13 176.911 0.000 . 1 . . . . A 27 GLU C . 34494 1 364 . 1 . 1 31 31 GLU CA C 13 55.725 0.040 . 1 . . . . A 27 GLU CA . 34494 1 365 . 1 . 1 31 31 GLU CB C 13 32.575 0.093 . 1 . . . . A 27 GLU CB . 34494 1 366 . 1 . 1 31 31 GLU CG C 13 35.845 0.026 . 1 . . . . A 27 GLU CG . 34494 1 367 . 1 . 1 31 31 GLU N N 15 122.736 0.000 . 1 . . . . A 27 GLU N . 34494 1 368 . 1 . 1 32 32 GLY H H 1 9.240 0.002 . 1 . . . . A 28 GLY H . 34494 1 369 . 1 . 1 32 32 GLY HA2 H 1 3.897 0.011 . 2 . . . . A 28 GLY HA2 . 34494 1 370 . 1 . 1 32 32 GLY HA3 H 1 3.897 0.011 . 2 . . . . A 28 GLY HA3 . 34494 1 371 . 1 . 1 32 32 GLY C C 13 175.498 0.000 . 1 . . . . A 28 GLY C . 34494 1 372 . 1 . 1 32 32 GLY CA C 13 47.195 0.042 . 1 . . . . A 28 GLY CA . 34494 1 373 . 1 . 1 32 32 GLY N N 15 114.046 0.005 . 1 . . . . A 28 GLY N . 34494 1 374 . 1 . 1 33 33 GLY H H 1 9.025 0.001 . 1 . . . . A 29 GLY H . 34494 1 375 . 1 . 1 33 33 GLY HA2 H 1 4.123 0.003 . 2 . . . . A 29 GLY HA2 . 34494 1 376 . 1 . 1 33 33 GLY HA3 H 1 3.852 0.003 . 2 . . . . A 29 GLY HA3 . 34494 1 377 . 1 . 1 33 33 GLY C C 13 173.593 0.000 . 1 . . . . A 29 GLY C . 34494 1 378 . 1 . 1 33 33 GLY CA C 13 45.499 0.047 . 1 . . . . A 29 GLY CA . 34494 1 379 . 1 . 1 33 33 GLY N N 15 108.727 0.002 . 1 . . . . A 29 GLY N . 34494 1 380 . 1 . 1 34 34 ALA H H 1 7.675 0.000 . 1 . . . . A 30 ALA H . 34494 1 381 . 1 . 1 34 34 ALA HA H 1 5.068 0.007 . 1 . . . . A 30 ALA HA . 34494 1 382 . 1 . 1 34 34 ALA HB1 H 1 1.254 0.001 . 1 . . . . A 30 ALA HB1 . 34494 1 383 . 1 . 1 34 34 ALA HB2 H 1 1.254 0.001 . 1 . . . . A 30 ALA HB2 . 34494 1 384 . 1 . 1 34 34 ALA HB3 H 1 1.254 0.001 . 1 . . . . A 30 ALA HB3 . 34494 1 385 . 1 . 1 34 34 ALA C C 13 175.998 0.000 . 1 . . . . A 30 ALA C . 34494 1 386 . 1 . 1 34 34 ALA CA C 13 50.850 0.043 . 1 . . . . A 30 ALA CA . 34494 1 387 . 1 . 1 34 34 ALA CB C 13 22.604 0.073 . 1 . . . . A 30 ALA CB . 34494 1 388 . 1 . 1 34 34 ALA N N 15 121.428 0.000 . 1 . . . . A 30 ALA N . 34494 1 389 . 1 . 1 35 35 VAL H H 1 7.773 0.000 . 1 . . . . A 31 VAL H . 34494 1 390 . 1 . 1 35 35 VAL HA H 1 4.969 0.007 . 1 . . . . A 31 VAL HA . 34494 1 391 . 1 . 1 35 35 VAL HB H 1 1.833 0.003 . 1 . . . . A 31 VAL HB . 34494 1 392 . 1 . 1 35 35 VAL HG11 H 1 0.813 0.001 . 2 . . . . A 31 VAL HG11 . 34494 1 393 . 1 . 1 35 35 VAL HG12 H 1 0.813 0.001 . 2 . . . . A 31 VAL HG12 . 34494 1 394 . 1 . 1 35 35 VAL HG13 H 1 0.813 0.001 . 2 . . . . A 31 VAL HG13 . 34494 1 395 . 1 . 1 35 35 VAL HG21 H 1 0.809 0.002 . 2 . . . . A 31 VAL HG21 . 34494 1 396 . 1 . 1 35 35 VAL HG22 H 1 0.809 0.002 . 2 . . . . A 31 VAL HG22 . 34494 1 397 . 1 . 1 35 35 VAL HG23 H 1 0.809 0.002 . 2 . . . . A 31 VAL HG23 . 34494 1 398 . 1 . 1 35 35 VAL C C 13 175.062 0.000 . 1 . . . . A 31 VAL C . 34494 1 399 . 1 . 1 35 35 VAL CA C 13 61.132 0.075 . 1 . . . . A 31 VAL CA . 34494 1 400 . 1 . 1 35 35 VAL CB C 13 33.797 0.103 . 1 . . . . A 31 VAL CB . 34494 1 401 . 1 . 1 35 35 VAL CG1 C 13 22.149 0.026 . 1 . . . . A 31 VAL CG1 . 34494 1 402 . 1 . 1 35 35 VAL CG2 C 13 23.237 0.075 . 1 . . . . A 31 VAL CG2 . 34494 1 403 . 1 . 1 35 35 VAL N N 15 117.986 0.000 . 1 . . . . A 31 VAL N . 34494 1 404 . 1 . 1 36 36 ARG H H 1 9.530 0.000 . 1 . . . . A 32 ARG H . 34494 1 405 . 1 . 1 36 36 ARG HA H 1 5.326 0.005 . 1 . . . . A 32 ARG HA . 34494 1 406 . 1 . 1 36 36 ARG HB2 H 1 1.778 0.003 . 2 . . . . A 32 ARG HB2 . 34494 1 407 . 1 . 1 36 36 ARG HB3 H 1 1.658 0.002 . 2 . . . . A 32 ARG HB3 . 34494 1 408 . 1 . 1 36 36 ARG HG2 H 1 1.569 0.004 . 2 . . . . A 32 ARG HG2 . 34494 1 409 . 1 . 1 36 36 ARG HG3 H 1 1.427 0.002 . 2 . . . . A 32 ARG HG3 . 34494 1 410 . 1 . 1 36 36 ARG HD2 H 1 3.090 0.002 . 2 . . . . A 32 ARG HD2 . 34494 1 411 . 1 . 1 36 36 ARG HD3 H 1 3.090 0.002 . 2 . . . . A 32 ARG HD3 . 34494 1 412 . 1 . 1 36 36 ARG HE H 1 7.448 0.000 . 1 . . . . A 32 ARG HE . 34494 1 413 . 1 . 1 36 36 ARG C C 13 175.914 0.000 . 1 . . . . A 32 ARG C . 34494 1 414 . 1 . 1 36 36 ARG CA C 13 54.693 0.031 . 1 . . . . A 32 ARG CA . 34494 1 415 . 1 . 1 36 36 ARG CB C 13 32.509 0.057 . 1 . . . . A 32 ARG CB . 34494 1 416 . 1 . 1 36 36 ARG CG C 13 27.960 0.024 . 1 . . . . A 32 ARG CG . 34494 1 417 . 1 . 1 36 36 ARG CD C 13 43.268 0.038 . 1 . . . . A 32 ARG CD . 34494 1 418 . 1 . 1 36 36 ARG N N 15 127.104 0.000 . 1 . . . . A 32 ARG N . 34494 1 419 . 1 . 1 36 36 ARG NE N 15 84.143 0.002 . 1 . . . . A 32 ARG NE . 34494 1 420 . 1 . 1 37 37 VAL H H 1 9.437 0.000 . 1 . . . . A 33 VAL H . 34494 1 421 . 1 . 1 37 37 VAL HA H 1 4.844 0.008 . 1 . . . . A 33 VAL HA . 34494 1 422 . 1 . 1 37 37 VAL HB H 1 2.266 0.001 . 1 . . . . A 33 VAL HB . 34494 1 423 . 1 . 1 37 37 VAL HG11 H 1 1.041 0.001 . 2 . . . . A 33 VAL HG11 . 34494 1 424 . 1 . 1 37 37 VAL HG12 H 1 1.041 0.001 . 2 . . . . A 33 VAL HG12 . 34494 1 425 . 1 . 1 37 37 VAL HG13 H 1 1.041 0.001 . 2 . . . . A 33 VAL HG13 . 34494 1 426 . 1 . 1 37 37 VAL HG21 H 1 1.131 0.001 . 2 . . . . A 33 VAL HG21 . 34494 1 427 . 1 . 1 37 37 VAL HG22 H 1 1.131 0.001 . 2 . . . . A 33 VAL HG22 . 34494 1 428 . 1 . 1 37 37 VAL HG23 H 1 1.131 0.001 . 2 . . . . A 33 VAL HG23 . 34494 1 429 . 1 . 1 37 37 VAL C C 13 174.525 0.000 . 1 . . . . A 33 VAL C . 34494 1 430 . 1 . 1 37 37 VAL CA C 13 61.315 0.057 . 1 . . . . A 33 VAL CA . 34494 1 431 . 1 . 1 37 37 VAL CB C 13 35.338 0.059 . 1 . . . . A 33 VAL CB . 34494 1 432 . 1 . 1 37 37 VAL CG1 C 13 22.865 0.040 . 1 . . . . A 33 VAL CG1 . 34494 1 433 . 1 . 1 37 37 VAL CG2 C 13 22.080 0.035 . 1 . . . . A 33 VAL CG2 . 34494 1 434 . 1 . 1 37 37 VAL N N 15 126.583 0.008 . 1 . . . . A 33 VAL N . 34494 1 435 . 1 . 1 38 38 THR H H 1 9.244 0.000 . 1 . . . . A 34 THR H . 34494 1 436 . 1 . 1 38 38 THR HA H 1 5.403 0.006 . 1 . . . . A 34 THR HA . 34494 1 437 . 1 . 1 38 38 THR HB H 1 4.025 0.002 . 1 . . . . A 34 THR HB . 34494 1 438 . 1 . 1 38 38 THR HG21 H 1 1.364 0.001 . 1 . . . . A 34 THR HG21 . 34494 1 439 . 1 . 1 38 38 THR HG22 H 1 1.364 0.001 . 1 . . . . A 34 THR HG22 . 34494 1 440 . 1 . 1 38 38 THR HG23 H 1 1.364 0.001 . 1 . . . . A 34 THR HG23 . 34494 1 441 . 1 . 1 38 38 THR C C 13 175.540 0.000 . 1 . . . . A 34 THR C . 34494 1 442 . 1 . 1 38 38 THR CA C 13 61.804 0.050 . 1 . . . . A 34 THR CA . 34494 1 443 . 1 . 1 38 38 THR CB C 13 70.584 0.078 . 1 . . . . A 34 THR CB . 34494 1 444 . 1 . 1 38 38 THR CG2 C 13 21.797 0.028 . 1 . . . . A 34 THR CG2 . 34494 1 445 . 1 . 1 38 38 THR N N 15 124.197 0.000 . 1 . . . . A 34 THR N . 34494 1 446 . 1 . 1 39 39 THR H H 1 9.049 0.000 . 1 . . . . A 35 THR H . 34494 1 447 . 1 . 1 39 39 THR HA H 1 5.270 0.004 . 1 . . . . A 35 THR HA . 34494 1 448 . 1 . 1 39 39 THR HB H 1 4.778 0.004 . 1 . . . . A 35 THR HB . 34494 1 449 . 1 . 1 39 39 THR HG21 H 1 1.316 0.001 . 1 . . . . A 35 THR HG21 . 34494 1 450 . 1 . 1 39 39 THR HG22 H 1 1.316 0.001 . 1 . . . . A 35 THR HG22 . 34494 1 451 . 1 . 1 39 39 THR HG23 H 1 1.316 0.001 . 1 . . . . A 35 THR HG23 . 34494 1 452 . 1 . 1 39 39 THR C C 13 175.582 0.000 . 1 . . . . A 35 THR C . 34494 1 453 . 1 . 1 39 39 THR CA C 13 60.101 0.027 . 1 . . . . A 35 THR CA . 34494 1 454 . 1 . 1 39 39 THR CB C 13 72.701 0.213 . 1 . . . . A 35 THR CB . 34494 1 455 . 1 . 1 39 39 THR CG2 C 13 21.721 0.032 . 1 . . . . A 35 THR CG2 . 34494 1 456 . 1 . 1 39 39 THR N N 15 117.735 0.033 . 1 . . . . A 35 THR N . 34494 1 457 . 1 . 1 40 40 LEU H H 1 8.748 0.010 . 1 . . . . A 36 LEU H . 34494 1 458 . 1 . 1 40 40 LEU HA H 1 3.929 0.002 . 1 . . . . A 36 LEU HA . 34494 1 459 . 1 . 1 40 40 LEU HB2 H 1 1.276 0.001 . 2 . . . . A 36 LEU HB2 . 34494 1 460 . 1 . 1 40 40 LEU HB3 H 1 1.067 0.001 . 2 . . . . A 36 LEU HB3 . 34494 1 461 . 1 . 1 40 40 LEU HG H 1 1.047 0.005 . 1 . . . . A 36 LEU HG . 34494 1 462 . 1 . 1 40 40 LEU HD11 H 1 0.754 0.002 . 2 . . . . A 36 LEU HD11 . 34494 1 463 . 1 . 1 40 40 LEU HD12 H 1 0.754 0.002 . 2 . . . . A 36 LEU HD12 . 34494 1 464 . 1 . 1 40 40 LEU HD13 H 1 0.754 0.002 . 2 . . . . A 36 LEU HD13 . 34494 1 465 . 1 . 1 40 40 LEU HD21 H 1 0.684 0.002 . 2 . . . . A 36 LEU HD21 . 34494 1 466 . 1 . 1 40 40 LEU HD22 H 1 0.684 0.002 . 2 . . . . A 36 LEU HD22 . 34494 1 467 . 1 . 1 40 40 LEU HD23 H 1 0.684 0.002 . 2 . . . . A 36 LEU HD23 . 34494 1 468 . 1 . 1 40 40 LEU C C 13 176.248 0.000 . 1 . . . . A 36 LEU C . 34494 1 469 . 1 . 1 40 40 LEU CA C 13 56.849 0.022 . 1 . . . . A 36 LEU CA . 34494 1 470 . 1 . 1 40 40 LEU CB C 13 43.469 0.049 . 1 . . . . A 36 LEU CB . 34494 1 471 . 1 . 1 40 40 LEU CG C 13 26.730 0.048 . 1 . . . . A 36 LEU CG . 34494 1 472 . 1 . 1 40 40 LEU CD1 C 13 24.072 0.041 . 1 . . . . A 36 LEU CD1 . 34494 1 473 . 1 . 1 40 40 LEU CD2 C 13 25.008 0.052 . 1 . . . . A 36 LEU CD2 . 34494 1 474 . 1 . 1 40 40 LEU N N 15 119.413 0.040 . 1 . . . . A 36 LEU N . 34494 1 475 . 1 . 1 41 41 PHE H H 1 7.648 0.001 . 1 . . . . A 37 PHE H . 34494 1 476 . 1 . 1 41 41 PHE HA H 1 4.747 0.011 . 1 . . . . A 37 PHE HA . 34494 1 477 . 1 . 1 41 41 PHE HB2 H 1 3.507 0.002 . 2 . . . . A 37 PHE HB2 . 34494 1 478 . 1 . 1 41 41 PHE HB3 H 1 2.818 0.003 . 2 . . . . A 37 PHE HB3 . 34494 1 479 . 1 . 1 41 41 PHE HD1 H 1 7.293 0.004 . 1 . . . . A 37 PHE HD1 . 34494 1 480 . 1 . 1 41 41 PHE HD2 H 1 7.293 0.004 . 1 . . . . A 37 PHE HD2 . 34494 1 481 . 1 . 1 41 41 PHE HE1 H 1 7.390 0.004 . 1 . . . . A 37 PHE HE1 . 34494 1 482 . 1 . 1 41 41 PHE HE2 H 1 7.390 0.004 . 1 . . . . A 37 PHE HE2 . 34494 1 483 . 1 . 1 41 41 PHE HZ H 1 7.294 0.001 . 1 . . . . A 37 PHE HZ . 34494 1 484 . 1 . 1 41 41 PHE C C 13 174.663 0.000 . 1 . . . . A 37 PHE C . 34494 1 485 . 1 . 1 41 41 PHE CA C 13 56.831 0.093 . 1 . . . . A 37 PHE CA . 34494 1 486 . 1 . 1 41 41 PHE CB C 13 38.060 0.074 . 1 . . . . A 37 PHE CB . 34494 1 487 . 1 . 1 41 41 PHE CD1 C 13 131.642 0.020 . 1 . . . . A 37 PHE CD1 . 34494 1 488 . 1 . 1 41 41 PHE CE1 C 13 131.627 0.000 . 1 . . . . A 37 PHE CE1 . 34494 1 489 . 1 . 1 41 41 PHE CZ C 13 129.906 0.060 . 1 . . . . A 37 PHE CZ . 34494 1 490 . 1 . 1 41 41 PHE N N 15 115.155 0.009 . 1 . . . . A 37 PHE N . 34494 1 491 . 1 . 1 42 42 ASP H H 1 7.998 0.000 . 1 . . . . A 38 ASP H . 34494 1 492 . 1 . 1 42 42 ASP HA H 1 4.381 0.002 . 1 . . . . A 38 ASP HA . 34494 1 493 . 1 . 1 42 42 ASP HB2 H 1 2.965 0.002 . 2 . . . . A 38 ASP HB2 . 34494 1 494 . 1 . 1 42 42 ASP HB3 H 1 2.788 0.002 . 2 . . . . A 38 ASP HB3 . 34494 1 495 . 1 . 1 42 42 ASP C C 13 175.047 0.000 . 1 . . . . A 38 ASP C . 34494 1 496 . 1 . 1 42 42 ASP CA C 13 55.353 0.064 . 1 . . . . A 38 ASP CA . 34494 1 497 . 1 . 1 42 42 ASP CB C 13 39.472 0.072 . 1 . . . . A 38 ASP CB . 34494 1 498 . 1 . 1 42 42 ASP N N 15 115.765 0.000 . 1 . . . . A 38 ASP N . 34494 1 499 . 1 . 1 43 43 GLU H H 1 7.383 0.000 . 1 . . . . A 39 GLU H . 34494 1 500 . 1 . 1 43 43 GLU HA H 1 4.405 0.003 . 1 . . . . A 39 GLU HA . 34494 1 501 . 1 . 1 43 43 GLU HB2 H 1 1.972 0.003 . 2 . . . . A 39 GLU HB2 . 34494 1 502 . 1 . 1 43 43 GLU HB3 H 1 1.896 0.001 . 2 . . . . A 39 GLU HB3 . 34494 1 503 . 1 . 1 43 43 GLU HG2 H 1 2.214 0.001 . 2 . . . . A 39 GLU HG2 . 34494 1 504 . 1 . 1 43 43 GLU HG3 H 1 2.100 0.005 . 2 . . . . A 39 GLU HG3 . 34494 1 505 . 1 . 1 43 43 GLU C C 13 175.234 0.000 . 1 . . . . A 39 GLU C . 34494 1 506 . 1 . 1 43 43 GLU CA C 13 55.728 0.052 . 1 . . . . A 39 GLU CA . 34494 1 507 . 1 . 1 43 43 GLU CB C 13 31.093 0.075 . 1 . . . . A 39 GLU CB . 34494 1 508 . 1 . 1 43 43 GLU CG C 13 36.351 0.064 . 1 . . . . A 39 GLU CG . 34494 1 509 . 1 . 1 43 43 GLU N N 15 117.612 0.003 . 1 . . . . A 39 GLU N . 34494 1 510 . 1 . 1 44 44 GLU H H 1 8.417 0.000 . 1 . . . . A 40 GLU H . 34494 1 511 . 1 . 1 44 44 GLU HA H 1 5.232 0.013 . 1 . . . . A 40 GLU HA . 34494 1 512 . 1 . 1 44 44 GLU HB2 H 1 1.842 0.001 . 2 . . . . A 40 GLU HB2 . 34494 1 513 . 1 . 1 44 44 GLU HB3 H 1 1.842 0.001 . 2 . . . . A 40 GLU HB3 . 34494 1 514 . 1 . 1 44 44 GLU HG2 H 1 2.134 0.002 . 2 . . . . A 40 GLU HG2 . 34494 1 515 . 1 . 1 44 44 GLU HG3 H 1 2.039 0.002 . 2 . . . . A 40 GLU HG3 . 34494 1 516 . 1 . 1 44 44 GLU C C 13 175.728 0.000 . 1 . . . . A 40 GLU C . 34494 1 517 . 1 . 1 44 44 GLU CA C 13 55.069 0.067 . 1 . . . . A 40 GLU CA . 34494 1 518 . 1 . 1 44 44 GLU CB C 13 32.488 0.064 . 1 . . . . A 40 GLU CB . 34494 1 519 . 1 . 1 44 44 GLU CG C 13 36.860 0.048 . 1 . . . . A 40 GLU CG . 34494 1 520 . 1 . 1 44 44 GLU N N 15 122.668 0.000 . 1 . . . . A 40 GLU N . 34494 1 521 . 1 . 1 45 45 HIS H H 1 8.894 0.000 . 1 . . . . A 41 HIS H . 34494 1 522 . 1 . 1 45 45 HIS HA H 1 4.652 0.006 . 1 . . . . A 41 HIS HA . 34494 1 523 . 1 . 1 45 45 HIS HB2 H 1 2.818 0.003 . 2 . . . . A 41 HIS HB2 . 34494 1 524 . 1 . 1 45 45 HIS HB3 H 1 2.782 0.003 . 2 . . . . A 41 HIS HB3 . 34494 1 525 . 1 . 1 45 45 HIS HD2 H 1 6.696 0.002 . 1 . . . . A 41 HIS HD2 . 34494 1 526 . 1 . 1 45 45 HIS HE1 H 1 8.202 0.001 . 1 . . . . A 41 HIS HE1 . 34494 1 527 . 1 . 1 45 45 HIS C C 13 173.226 0.000 . 1 . . . . A 41 HIS C . 34494 1 528 . 1 . 1 45 45 HIS CA C 13 54.309 0.082 . 1 . . . . A 41 HIS CA . 34494 1 529 . 1 . 1 45 45 HIS CB C 13 33.510 0.069 . 1 . . . . A 41 HIS CB . 34494 1 530 . 1 . 1 45 45 HIS CD2 C 13 118.402 0.011 . 1 . . . . A 41 HIS CD2 . 34494 1 531 . 1 . 1 45 45 HIS CE1 C 13 138.218 0.022 . 1 . . . . A 41 HIS CE1 . 34494 1 532 . 1 . 1 45 45 HIS N N 15 122.779 0.000 . 1 . . . . A 41 HIS N . 34494 1 533 . 1 . 1 45 45 HIS ND1 N 15 207.969 0.000 . 1 . . . . A 41 HIS ND1 . 34494 1 534 . 1 . 1 45 45 HIS NE2 N 15 174.684 0.004 . 1 . . . . A 41 HIS NE2 . 34494 1 535 . 1 . 1 46 46 ALA H H 1 8.605 0.002 . 1 . . . . A 42 ALA H . 34494 1 536 . 1 . 1 46 46 ALA HA H 1 5.187 0.003 . 1 . . . . A 42 ALA HA . 34494 1 537 . 1 . 1 46 46 ALA HB1 H 1 1.186 0.001 . 1 . . . . A 42 ALA HB1 . 34494 1 538 . 1 . 1 46 46 ALA HB2 H 1 1.186 0.001 . 1 . . . . A 42 ALA HB2 . 34494 1 539 . 1 . 1 46 46 ALA HB3 H 1 1.186 0.001 . 1 . . . . A 42 ALA HB3 . 34494 1 540 . 1 . 1 46 46 ALA C C 13 176.344 0.000 . 1 . . . . A 42 ALA C . 34494 1 541 . 1 . 1 46 46 ALA CA C 13 50.895 0.044 . 1 . . . . A 42 ALA CA . 34494 1 542 . 1 . 1 46 46 ALA CB C 13 21.294 0.080 . 1 . . . . A 42 ALA CB . 34494 1 543 . 1 . 1 46 46 ALA N N 15 126.201 0.022 . 1 . . . . A 42 ALA N . 34494 1 544 . 1 . 1 47 47 PHE H H 1 9.165 0.000 . 1 . . . . A 43 PHE H . 34494 1 545 . 1 . 1 47 47 PHE HA H 1 5.066 0.002 . 1 . . . . A 43 PHE HA . 34494 1 546 . 1 . 1 47 47 PHE HB2 H 1 3.052 0.004 . 2 . . . . A 43 PHE HB2 . 34494 1 547 . 1 . 1 47 47 PHE HB3 H 1 2.794 0.002 . 2 . . . . A 43 PHE HB3 . 34494 1 548 . 1 . 1 47 47 PHE HD1 H 1 7.103 0.003 . 1 . . . . A 43 PHE HD1 . 34494 1 549 . 1 . 1 47 47 PHE HD2 H 1 7.103 0.003 . 1 . . . . A 43 PHE HD2 . 34494 1 550 . 1 . 1 47 47 PHE HE1 H 1 7.010 0.002 . 1 . . . . A 43 PHE HE1 . 34494 1 551 . 1 . 1 47 47 PHE HE2 H 1 7.010 0.002 . 1 . . . . A 43 PHE HE2 . 34494 1 552 . 1 . 1 47 47 PHE HZ H 1 7.004 0.000 . 1 . . . . A 43 PHE HZ . 34494 1 553 . 1 . 1 47 47 PHE CA C 13 54.860 0.021 . 1 . . . . A 43 PHE CA . 34494 1 554 . 1 . 1 47 47 PHE CB C 13 41.080 0.066 . 1 . . . . A 43 PHE CB . 34494 1 555 . 1 . 1 47 47 PHE CD1 C 13 132.184 0.030 . 1 . . . . A 43 PHE CD1 . 34494 1 556 . 1 . 1 47 47 PHE CE1 C 13 130.658 0.000 . 1 . . . . A 43 PHE CE1 . 34494 1 557 . 1 . 1 47 47 PHE CZ C 13 128.953 0.000 . 1 . . . . A 43 PHE CZ . 34494 1 558 . 1 . 1 47 47 PHE N N 15 119.895 0.000 . 1 . . . . A 43 PHE N . 34494 1 559 . 1 . 1 48 48 PRO HA H 1 4.655 0.001 . 1 . . . . A 44 PRO HA . 34494 1 560 . 1 . 1 48 48 PRO HB2 H 1 2.407 0.002 . 2 . . . . A 44 PRO HB2 . 34494 1 561 . 1 . 1 48 48 PRO HB3 H 1 2.020 0.007 . 2 . . . . A 44 PRO HB3 . 34494 1 562 . 1 . 1 48 48 PRO HG2 H 1 2.175 0.002 . 2 . . . . A 44 PRO HG2 . 34494 1 563 . 1 . 1 48 48 PRO HG3 H 1 1.983 0.004 . 2 . . . . A 44 PRO HG3 . 34494 1 564 . 1 . 1 48 48 PRO HD2 H 1 3.914 0.002 . 2 . . . . A 44 PRO HD2 . 34494 1 565 . 1 . 1 48 48 PRO HD3 H 1 3.651 0.003 . 2 . . . . A 44 PRO HD3 . 34494 1 566 . 1 . 1 48 48 PRO C C 13 178.196 0.000 . 1 . . . . A 44 PRO C . 34494 1 567 . 1 . 1 48 48 PRO CA C 13 63.019 0.083 . 1 . . . . A 44 PRO CA . 34494 1 568 . 1 . 1 48 48 PRO CB C 13 32.392 0.047 . 1 . . . . A 44 PRO CB . 34494 1 569 . 1 . 1 48 48 PRO CG C 13 27.510 0.049 . 1 . . . . A 44 PRO CG . 34494 1 570 . 1 . 1 48 48 PRO CD C 13 51.309 0.070 . 1 . . . . A 44 PRO CD . 34494 1 571 . 1 . 1 49 49 GLY H H 1 8.854 0.000 . 1 . . . . A 45 GLY H . 34494 1 572 . 1 . 1 49 49 GLY HA2 H 1 4.164 0.005 . 2 . . . . A 45 GLY HA2 . 34494 1 573 . 1 . 1 49 49 GLY HA3 H 1 3.899 0.004 . 2 . . . . A 45 GLY HA3 . 34494 1 574 . 1 . 1 49 49 GLY C C 13 173.602 0.000 . 1 . . . . A 45 GLY C . 34494 1 575 . 1 . 1 49 49 GLY CA C 13 46.411 0.112 . 1 . . . . A 45 GLY CA . 34494 1 576 . 1 . 1 49 49 GLY N N 15 110.240 0.003 . 1 . . . . A 45 GLY N . 34494 1 577 . 1 . 1 50 50 LEU H H 1 6.863 0.000 . 1 . . . . A 46 LEU H . 34494 1 578 . 1 . 1 50 50 LEU HA H 1 5.174 0.004 . 1 . . . . A 46 LEU HA . 34494 1 579 . 1 . 1 50 50 LEU HB2 H 1 1.616 0.009 . 2 . . . . A 46 LEU HB2 . 34494 1 580 . 1 . 1 50 50 LEU HB3 H 1 1.449 0.006 . 2 . . . . A 46 LEU HB3 . 34494 1 581 . 1 . 1 50 50 LEU HG H 1 1.575 0.009 . 1 . . . . A 46 LEU HG . 34494 1 582 . 1 . 1 50 50 LEU HD11 H 1 0.734 0.001 . 2 . . . . A 46 LEU HD11 . 34494 1 583 . 1 . 1 50 50 LEU HD12 H 1 0.734 0.001 . 2 . . . . A 46 LEU HD12 . 34494 1 584 . 1 . 1 50 50 LEU HD13 H 1 0.734 0.001 . 2 . . . . A 46 LEU HD13 . 34494 1 585 . 1 . 1 50 50 LEU HD21 H 1 0.690 0.000 . 2 . . . . A 46 LEU HD21 . 34494 1 586 . 1 . 1 50 50 LEU HD22 H 1 0.690 0.000 . 2 . . . . A 46 LEU HD22 . 34494 1 587 . 1 . 1 50 50 LEU HD23 H 1 0.690 0.000 . 2 . . . . A 46 LEU HD23 . 34494 1 588 . 1 . 1 50 50 LEU C C 13 174.065 0.000 . 1 . . . . A 46 LEU C . 34494 1 589 . 1 . 1 50 50 LEU CA C 13 53.108 0.041 . 1 . . . . A 46 LEU CA . 34494 1 590 . 1 . 1 50 50 LEU CB C 13 43.948 0.069 . 1 . . . . A 46 LEU CB . 34494 1 591 . 1 . 1 50 50 LEU CG C 13 27.427 0.097 . 1 . . . . A 46 LEU CG . 34494 1 592 . 1 . 1 50 50 LEU CD1 C 13 22.691 0.035 . 1 . . . . A 46 LEU CD1 . 34494 1 593 . 1 . 1 50 50 LEU CD2 C 13 28.223 0.043 . 1 . . . . A 46 LEU CD2 . 34494 1 594 . 1 . 1 50 50 LEU N N 15 117.193 0.020 . 1 . . . . A 46 LEU N . 34494 1 595 . 1 . 1 51 51 ALA H H 1 9.094 0.000 . 1 . . . . A 47 ALA H . 34494 1 596 . 1 . 1 51 51 ALA HA H 1 4.345 0.002 . 1 . . . . A 47 ALA HA . 34494 1 597 . 1 . 1 51 51 ALA HB1 H 1 1.178 0.001 . 1 . . . . A 47 ALA HB1 . 34494 1 598 . 1 . 1 51 51 ALA HB2 H 1 1.178 0.001 . 1 . . . . A 47 ALA HB2 . 34494 1 599 . 1 . 1 51 51 ALA HB3 H 1 1.178 0.001 . 1 . . . . A 47 ALA HB3 . 34494 1 600 . 1 . 1 51 51 ALA C C 13 176.046 0.000 . 1 . . . . A 47 ALA C . 34494 1 601 . 1 . 1 51 51 ALA CA C 13 49.968 0.061 . 1 . . . . A 47 ALA CA . 34494 1 602 . 1 . 1 51 51 ALA CB C 13 22.395 0.072 . 1 . . . . A 47 ALA CB . 34494 1 603 . 1 . 1 51 51 ALA N N 15 120.282 0.005 . 1 . . . . A 47 ALA N . 34494 1 604 . 1 . 1 52 52 ILE H H 1 8.768 0.000 . 1 . . . . A 48 ILE H . 34494 1 605 . 1 . 1 52 52 ILE HA H 1 3.930 0.007 . 1 . . . . A 48 ILE HA . 34494 1 606 . 1 . 1 52 52 ILE HB H 1 1.756 0.004 . 1 . . . . A 48 ILE HB . 34494 1 607 . 1 . 1 52 52 ILE HG12 H 1 1.617 0.002 . 2 . . . . A 48 ILE HG12 . 34494 1 608 . 1 . 1 52 52 ILE HG13 H 1 0.461 0.005 . 2 . . . . A 48 ILE HG13 . 34494 1 609 . 1 . 1 52 52 ILE HG21 H 1 0.557 0.002 . 1 . . . . A 48 ILE HG21 . 34494 1 610 . 1 . 1 52 52 ILE HG22 H 1 0.557 0.002 . 1 . . . . A 48 ILE HG22 . 34494 1 611 . 1 . 1 52 52 ILE HG23 H 1 0.557 0.002 . 1 . . . . A 48 ILE HG23 . 34494 1 612 . 1 . 1 52 52 ILE HD11 H 1 0.603 0.001 . 1 . . . . A 48 ILE HD11 . 34494 1 613 . 1 . 1 52 52 ILE HD12 H 1 0.603 0.001 . 1 . . . . A 48 ILE HD12 . 34494 1 614 . 1 . 1 52 52 ILE HD13 H 1 0.603 0.001 . 1 . . . . A 48 ILE HD13 . 34494 1 615 . 1 . 1 52 52 ILE C C 13 174.772 0.000 . 1 . . . . A 48 ILE C . 34494 1 616 . 1 . 1 52 52 ILE CA C 13 62.567 0.076 . 1 . . . . A 48 ILE CA . 34494 1 617 . 1 . 1 52 52 ILE CB C 13 37.430 0.086 . 1 . . . . A 48 ILE CB . 34494 1 618 . 1 . 1 52 52 ILE CG1 C 13 27.816 0.048 . 1 . . . . A 48 ILE CG1 . 34494 1 619 . 1 . 1 52 52 ILE CG2 C 13 18.198 0.028 . 1 . . . . A 48 ILE CG2 . 34494 1 620 . 1 . 1 52 52 ILE CD1 C 13 13.835 0.024 . 1 . . . . A 48 ILE CD1 . 34494 1 621 . 1 . 1 52 52 ILE N N 15 119.887 0.000 . 1 . . . . A 48 ILE N . 34494 1 622 . 1 . 1 53 53 GLY H H 1 8.888 0.000 . 1 . . . . A 49 GLY H . 34494 1 623 . 1 . 1 53 53 GLY HA2 H 1 4.336 0.003 . 2 . . . . A 49 GLY HA2 . 34494 1 624 . 1 . 1 53 53 GLY HA3 H 1 3.638 0.002 . 2 . . . . A 49 GLY HA3 . 34494 1 625 . 1 . 1 53 53 GLY C C 13 173.363 0.000 . 1 . . . . A 49 GLY C . 34494 1 626 . 1 . 1 53 53 GLY CA C 13 47.012 0.027 . 1 . . . . A 49 GLY CA . 34494 1 627 . 1 . 1 53 53 GLY N N 15 116.200 0.002 . 1 . . . . A 49 GLY N . 34494 1 628 . 1 . 1 54 54 ARG H H 1 7.774 0.000 . 1 . . . . A 50 ARG H . 34494 1 629 . 1 . 1 54 54 ARG HA H 1 5.113 0.028 . 1 . . . . A 50 ARG HA . 34494 1 630 . 1 . 1 54 54 ARG HB2 H 1 1.927 0.003 . 2 . . . . A 50 ARG HB2 . 34494 1 631 . 1 . 1 54 54 ARG HB3 H 1 1.798 0.004 . 2 . . . . A 50 ARG HB3 . 34494 1 632 . 1 . 1 54 54 ARG HG2 H 1 1.555 0.001 . 2 . . . . A 50 ARG HG2 . 34494 1 633 . 1 . 1 54 54 ARG HG3 H 1 1.482 0.000 . 2 . . . . A 50 ARG HG3 . 34494 1 634 . 1 . 1 54 54 ARG HD2 H 1 3.188 0.004 . 2 . . . . A 50 ARG HD2 . 34494 1 635 . 1 . 1 54 54 ARG HD3 H 1 3.080 0.008 . 2 . . . . A 50 ARG HD3 . 34494 1 636 . 1 . 1 54 54 ARG HE H 1 7.572 0.000 . 1 . . . . A 50 ARG HE . 34494 1 637 . 1 . 1 54 54 ARG C C 13 173.818 0.000 . 1 . . . . A 50 ARG C . 34494 1 638 . 1 . 1 54 54 ARG CA C 13 55.799 0.051 . 1 . . . . A 50 ARG CA . 34494 1 639 . 1 . 1 54 54 ARG CB C 13 34.046 0.093 . 1 . . . . A 50 ARG CB . 34494 1 640 . 1 . 1 54 54 ARG CG C 13 28.008 0.058 . 1 . . . . A 50 ARG CG . 34494 1 641 . 1 . 1 54 54 ARG CD C 13 43.748 0.026 . 1 . . . . A 50 ARG CD . 34494 1 642 . 1 . 1 54 54 ARG N N 15 119.211 0.000 . 1 . . . . A 50 ARG N . 34494 1 643 . 1 . 1 54 54 ARG NE N 15 84.426 0.005 . 1 . . . . A 50 ARG NE . 34494 1 644 . 1 . 1 55 55 VAL H H 1 9.434 0.000 . 1 . . . . A 51 VAL H . 34494 1 645 . 1 . 1 55 55 VAL HA H 1 4.297 0.004 . 1 . . . . A 51 VAL HA . 34494 1 646 . 1 . 1 55 55 VAL HB H 1 2.024 0.004 . 1 . . . . A 51 VAL HB . 34494 1 647 . 1 . 1 55 55 VAL HG11 H 1 0.766 0.001 . 2 . . . . A 51 VAL HG11 . 34494 1 648 . 1 . 1 55 55 VAL HG12 H 1 0.766 0.001 . 2 . . . . A 51 VAL HG12 . 34494 1 649 . 1 . 1 55 55 VAL HG13 H 1 0.766 0.001 . 2 . . . . A 51 VAL HG13 . 34494 1 650 . 1 . 1 55 55 VAL HG21 H 1 0.824 0.001 . 2 . . . . A 51 VAL HG21 . 34494 1 651 . 1 . 1 55 55 VAL HG22 H 1 0.824 0.001 . 2 . . . . A 51 VAL HG22 . 34494 1 652 . 1 . 1 55 55 VAL HG23 H 1 0.824 0.001 . 2 . . . . A 51 VAL HG23 . 34494 1 653 . 1 . 1 55 55 VAL C C 13 173.222 0.000 . 1 . . . . A 51 VAL C . 34494 1 654 . 1 . 1 55 55 VAL CA C 13 61.571 0.060 . 1 . . . . A 51 VAL CA . 34494 1 655 . 1 . 1 55 55 VAL CB C 13 33.852 0.076 . 1 . . . . A 51 VAL CB . 34494 1 656 . 1 . 1 55 55 VAL CG1 C 13 20.881 0.121 . 1 . . . . A 51 VAL CG1 . 34494 1 657 . 1 . 1 55 55 VAL CG2 C 13 20.907 0.108 . 1 . . . . A 51 VAL CG2 . 34494 1 658 . 1 . 1 55 55 VAL N N 15 125.069 0.000 . 1 . . . . A 51 VAL N . 34494 1 659 . 1 . 1 56 56 ASP H H 1 8.538 0.000 . 1 . . . . A 52 ASP H . 34494 1 660 . 1 . 1 56 56 ASP HA H 1 5.123 0.002 . 1 . . . . A 52 ASP HA . 34494 1 661 . 1 . 1 56 56 ASP HB2 H 1 3.209 0.005 . 2 . . . . A 52 ASP HB2 . 34494 1 662 . 1 . 1 56 56 ASP HB3 H 1 2.416 0.003 . 2 . . . . A 52 ASP HB3 . 34494 1 663 . 1 . 1 56 56 ASP C C 13 176.643 0.000 . 1 . . . . A 52 ASP C . 34494 1 664 . 1 . 1 56 56 ASP CA C 13 52.708 0.116 . 1 . . . . A 52 ASP CA . 34494 1 665 . 1 . 1 56 56 ASP CB C 13 41.743 0.054 . 1 . . . . A 52 ASP CB . 34494 1 666 . 1 . 1 56 56 ASP N N 15 126.497 0.000 . 1 . . . . A 52 ASP N . 34494 1 667 . 1 . 1 57 57 LEU H H 1 8.646 0.002 . 1 . . . . A 53 LEU H . 34494 1 668 . 1 . 1 57 57 LEU HA H 1 4.194 0.003 . 1 . . . . A 53 LEU HA . 34494 1 669 . 1 . 1 57 57 LEU HB2 H 1 1.933 0.002 . 2 . . . . A 53 LEU HB2 . 34494 1 670 . 1 . 1 57 57 LEU HB3 H 1 1.933 0.002 . 2 . . . . A 53 LEU HB3 . 34494 1 671 . 1 . 1 57 57 LEU HG H 1 1.614 0.003 . 1 . . . . A 53 LEU HG . 34494 1 672 . 1 . 1 57 57 LEU HD11 H 1 0.597 0.001 . 2 . . . . A 53 LEU HD11 . 34494 1 673 . 1 . 1 57 57 LEU HD12 H 1 0.597 0.001 . 2 . . . . A 53 LEU HD12 . 34494 1 674 . 1 . 1 57 57 LEU HD13 H 1 0.597 0.001 . 2 . . . . A 53 LEU HD13 . 34494 1 675 . 1 . 1 57 57 LEU HD21 H 1 0.711 0.001 . 2 . . . . A 53 LEU HD21 . 34494 1 676 . 1 . 1 57 57 LEU HD22 H 1 0.711 0.001 . 2 . . . . A 53 LEU HD22 . 34494 1 677 . 1 . 1 57 57 LEU HD23 H 1 0.711 0.001 . 2 . . . . A 53 LEU HD23 . 34494 1 678 . 1 . 1 57 57 LEU C C 13 178.028 0.000 . 1 . . . . A 53 LEU C . 34494 1 679 . 1 . 1 57 57 LEU CA C 13 55.738 0.040 . 1 . . . . A 53 LEU CA . 34494 1 680 . 1 . 1 57 57 LEU CB C 13 38.745 0.047 . 1 . . . . A 53 LEU CB . 34494 1 681 . 1 . 1 57 57 LEU CG C 13 27.784 0.036 . 1 . . . . A 53 LEU CG . 34494 1 682 . 1 . 1 57 57 LEU CD1 C 13 23.162 0.039 . 1 . . . . A 53 LEU CD1 . 34494 1 683 . 1 . 1 57 57 LEU CD2 C 13 24.355 0.028 . 1 . . . . A 53 LEU CD2 . 34494 1 684 . 1 . 1 57 57 LEU N N 15 124.544 0.046 . 1 . . . . A 53 LEU N . 34494 1 685 . 1 . 1 58 58 ARG H H 1 8.554 0.000 . 1 . . . . A 54 ARG H . 34494 1 686 . 1 . 1 58 58 ARG HA H 1 4.253 0.009 . 1 . . . . A 54 ARG HA . 34494 1 687 . 1 . 1 58 58 ARG HB2 H 1 2.082 0.003 . 2 . . . . A 54 ARG HB2 . 34494 1 688 . 1 . 1 58 58 ARG HB3 H 1 1.962 0.004 . 2 . . . . A 54 ARG HB3 . 34494 1 689 . 1 . 1 58 58 ARG HG2 H 1 1.696 0.002 . 2 . . . . A 54 ARG HG2 . 34494 1 690 . 1 . 1 58 58 ARG HG3 H 1 1.696 0.002 . 2 . . . . A 54 ARG HG3 . 34494 1 691 . 1 . 1 58 58 ARG HD2 H 1 3.249 0.005 . 2 . . . . A 54 ARG HD2 . 34494 1 692 . 1 . 1 58 58 ARG HD3 H 1 3.186 0.001 . 2 . . . . A 54 ARG HD3 . 34494 1 693 . 1 . 1 58 58 ARG HE H 1 7.537 0.001 . 1 . . . . A 54 ARG HE . 34494 1 694 . 1 . 1 58 58 ARG C C 13 178.105 0.000 . 1 . . . . A 54 ARG C . 34494 1 695 . 1 . 1 58 58 ARG CA C 13 58.892 0.049 . 1 . . . . A 54 ARG CA . 34494 1 696 . 1 . 1 58 58 ARG CB C 13 29.880 0.092 . 1 . . . . A 54 ARG CB . 34494 1 697 . 1 . 1 58 58 ARG CG C 13 27.630 0.074 . 1 . . . . A 54 ARG CG . 34494 1 698 . 1 . 1 58 58 ARG CD C 13 43.586 0.038 . 1 . . . . A 54 ARG CD . 34494 1 699 . 1 . 1 58 58 ARG N N 15 119.721 0.000 . 1 . . . . A 54 ARG N . 34494 1 700 . 1 . 1 58 58 ARG NE N 15 84.575 0.002 . 1 . . . . A 54 ARG NE . 34494 1 701 . 1 . 1 59 59 SER H H 1 7.536 0.002 . 1 . . . . A 55 SER H . 34494 1 702 . 1 . 1 59 59 SER HA H 1 4.474 0.016 . 1 . . . . A 55 SER HA . 34494 1 703 . 1 . 1 59 59 SER HB2 H 1 3.782 0.011 . 2 . . . . A 55 SER HB2 . 34494 1 704 . 1 . 1 59 59 SER HB3 H 1 3.782 0.011 . 2 . . . . A 55 SER HB3 . 34494 1 705 . 1 . 1 59 59 SER C C 13 175.726 0.000 . 1 . . . . A 55 SER C . 34494 1 706 . 1 . 1 59 59 SER CA C 13 58.014 0.135 . 1 . . . . A 55 SER CA . 34494 1 707 . 1 . 1 59 59 SER CB C 13 64.299 0.104 . 1 . . . . A 55 SER CB . 34494 1 708 . 1 . 1 59 59 SER N N 15 110.314 0.009 . 1 . . . . A 55 SER N . 34494 1 709 . 1 . 1 60 60 GLY H H 1 8.059 0.000 . 1 . . . . A 56 GLY H . 34494 1 710 . 1 . 1 60 60 GLY HA2 H 1 4.169 0.005 . 2 . . . . A 56 GLY HA2 . 34494 1 711 . 1 . 1 60 60 GLY HA3 H 1 3.725 0.005 . 2 . . . . A 56 GLY HA3 . 34494 1 712 . 1 . 1 60 60 GLY C C 13 173.640 0.000 . 1 . . . . A 56 GLY C . 34494 1 713 . 1 . 1 60 60 GLY CA C 13 46.890 0.046 . 1 . . . . A 56 GLY CA . 34494 1 714 . 1 . 1 60 60 GLY N N 15 112.281 0.000 . 1 . . . . A 56 GLY N . 34494 1 715 . 1 . 1 61 61 VAL H H 1 7.835 0.000 . 1 . . . . A 57 VAL H . 34494 1 716 . 1 . 1 61 61 VAL HA H 1 4.721 0.006 . 1 . . . . A 57 VAL HA . 34494 1 717 . 1 . 1 61 61 VAL HB H 1 1.839 0.003 . 1 . . . . A 57 VAL HB . 34494 1 718 . 1 . 1 61 61 VAL HG11 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG11 . 34494 1 719 . 1 . 1 61 61 VAL HG12 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG12 . 34494 1 720 . 1 . 1 61 61 VAL HG13 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG13 . 34494 1 721 . 1 . 1 61 61 VAL HG21 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG21 . 34494 1 722 . 1 . 1 61 61 VAL HG22 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG22 . 34494 1 723 . 1 . 1 61 61 VAL HG23 H 1 0.797 0.002 . 2 . . . . A 57 VAL HG23 . 34494 1 724 . 1 . 1 61 61 VAL C C 13 175.718 0.000 . 1 . . . . A 57 VAL C . 34494 1 725 . 1 . 1 61 61 VAL CA C 13 62.188 0.063 . 1 . . . . A 57 VAL CA . 34494 1 726 . 1 . 1 61 61 VAL CB C 13 34.899 0.048 . 1 . . . . A 57 VAL CB . 34494 1 727 . 1 . 1 61 61 VAL CG1 C 13 21.850 0.000 . 1 . . . . A 57 VAL CG1 . 34494 1 728 . 1 . 1 61 61 VAL CG2 C 13 21.827 0.044 . 1 . . . . A 57 VAL CG2 . 34494 1 729 . 1 . 1 61 61 VAL N N 15 119.088 0.007 . 1 . . . . A 57 VAL N . 34494 1 730 . 1 . 1 62 62 ILE H H 1 9.354 0.005 . 1 . . . . A 58 ILE H . 34494 1 731 . 1 . 1 62 62 ILE HA H 1 4.949 0.012 . 1 . . . . A 58 ILE HA . 34494 1 732 . 1 . 1 62 62 ILE HB H 1 1.838 0.005 . 1 . . . . A 58 ILE HB . 34494 1 733 . 1 . 1 62 62 ILE HG12 H 1 1.630 0.002 . 2 . . . . A 58 ILE HG12 . 34494 1 734 . 1 . 1 62 62 ILE HG13 H 1 0.972 0.001 . 2 . . . . A 58 ILE HG13 . 34494 1 735 . 1 . 1 62 62 ILE HG21 H 1 0.840 0.002 . 1 . . . . A 58 ILE HG21 . 34494 1 736 . 1 . 1 62 62 ILE HG22 H 1 0.840 0.002 . 1 . . . . A 58 ILE HG22 . 34494 1 737 . 1 . 1 62 62 ILE HG23 H 1 0.840 0.002 . 1 . . . . A 58 ILE HG23 . 34494 1 738 . 1 . 1 62 62 ILE HD11 H 1 0.688 0.001 . 1 . . . . A 58 ILE HD11 . 34494 1 739 . 1 . 1 62 62 ILE HD12 H 1 0.688 0.001 . 1 . . . . A 58 ILE HD12 . 34494 1 740 . 1 . 1 62 62 ILE HD13 H 1 0.688 0.001 . 1 . . . . A 58 ILE HD13 . 34494 1 741 . 1 . 1 62 62 ILE C C 13 174.425 0.000 . 1 . . . . A 58 ILE C . 34494 1 742 . 1 . 1 62 62 ILE CA C 13 59.925 0.051 . 1 . . . . A 58 ILE CA . 34494 1 743 . 1 . 1 62 62 ILE CB C 13 39.950 0.061 . 1 . . . . A 58 ILE CB . 34494 1 744 . 1 . 1 62 62 ILE CG1 C 13 28.466 0.038 . 1 . . . . A 58 ILE CG1 . 34494 1 745 . 1 . 1 62 62 ILE CG2 C 13 17.533 0.025 . 1 . . . . A 58 ILE CG2 . 34494 1 746 . 1 . 1 62 62 ILE CD1 C 13 15.310 0.032 . 1 . . . . A 58 ILE CD1 . 34494 1 747 . 1 . 1 62 62 ILE N N 15 131.138 0.000 . 1 . . . . A 58 ILE N . 34494 1 748 . 1 . 1 63 63 SER H H 1 9.313 0.000 . 1 . . . . A 59 SER H . 34494 1 749 . 1 . 1 63 63 SER HA H 1 5.289 0.002 . 1 . . . . A 59 SER HA . 34494 1 750 . 1 . 1 63 63 SER HB2 H 1 3.811 0.003 . 2 . . . . A 59 SER HB2 . 34494 1 751 . 1 . 1 63 63 SER HB3 H 1 3.752 0.004 . 2 . . . . A 59 SER HB3 . 34494 1 752 . 1 . 1 63 63 SER C C 13 174.709 0.000 . 1 . . . . A 59 SER C . 34494 1 753 . 1 . 1 63 63 SER CA C 13 57.181 0.041 . 1 . . . . A 59 SER CA . 34494 1 754 . 1 . 1 63 63 SER CB C 13 64.191 0.036 . 1 . . . . A 59 SER CB . 34494 1 755 . 1 . 1 63 63 SER N N 15 122.583 0.000 . 1 . . . . A 59 SER N . 34494 1 756 . 1 . 1 64 64 LEU H H 1 8.637 0.003 . 1 . . . . A 60 LEU H . 34494 1 757 . 1 . 1 64 64 LEU HA H 1 5.168 0.002 . 1 . . . . A 60 LEU HA . 34494 1 758 . 1 . 1 64 64 LEU HB2 H 1 1.769 0.003 . 2 . . . . A 60 LEU HB2 . 34494 1 759 . 1 . 1 64 64 LEU HB3 H 1 1.405 0.002 . 2 . . . . A 60 LEU HB3 . 34494 1 760 . 1 . 1 64 64 LEU HG H 1 1.640 0.002 . 1 . . . . A 60 LEU HG . 34494 1 761 . 1 . 1 64 64 LEU HD11 H 1 0.688 0.001 . 2 . . . . A 60 LEU HD11 . 34494 1 762 . 1 . 1 64 64 LEU HD12 H 1 0.688 0.001 . 2 . . . . A 60 LEU HD12 . 34494 1 763 . 1 . 1 64 64 LEU HD13 H 1 0.688 0.001 . 2 . . . . A 60 LEU HD13 . 34494 1 764 . 1 . 1 64 64 LEU HD21 H 1 0.451 0.001 . 2 . . . . A 60 LEU HD21 . 34494 1 765 . 1 . 1 64 64 LEU HD22 H 1 0.451 0.001 . 2 . . . . A 60 LEU HD22 . 34494 1 766 . 1 . 1 64 64 LEU HD23 H 1 0.451 0.001 . 2 . . . . A 60 LEU HD23 . 34494 1 767 . 1 . 1 64 64 LEU C C 13 175.883 0.000 . 1 . . . . A 60 LEU C . 34494 1 768 . 1 . 1 64 64 LEU CA C 13 53.113 0.031 . 1 . . . . A 60 LEU CA . 34494 1 769 . 1 . 1 64 64 LEU CB C 13 42.333 0.072 . 1 . . . . A 60 LEU CB . 34494 1 770 . 1 . 1 64 64 LEU CG C 13 27.176 0.003 . 1 . . . . A 60 LEU CG . 34494 1 771 . 1 . 1 64 64 LEU CD1 C 13 23.846 0.045 . 1 . . . . A 60 LEU CD1 . 34494 1 772 . 1 . 1 64 64 LEU CD2 C 13 26.052 0.047 . 1 . . . . A 60 LEU CD2 . 34494 1 773 . 1 . 1 64 64 LEU N N 15 123.990 0.009 . 1 . . . . A 60 LEU N . 34494 1 774 . 1 . 1 65 65 ILE H H 1 8.735 0.000 . 1 . . . . A 61 ILE H . 34494 1 775 . 1 . 1 65 65 ILE HA H 1 4.747 0.010 . 1 . . . . A 61 ILE HA . 34494 1 776 . 1 . 1 65 65 ILE HB H 1 1.908 0.001 . 1 . . . . A 61 ILE HB . 34494 1 777 . 1 . 1 65 65 ILE HG12 H 1 1.278 0.000 . 2 . . . . A 61 ILE HG12 . 34494 1 778 . 1 . 1 65 65 ILE HG13 H 1 0.774 0.002 . 2 . . . . A 61 ILE HG13 . 34494 1 779 . 1 . 1 65 65 ILE HG21 H 1 0.854 0.001 . 1 . . . . A 61 ILE HG21 . 34494 1 780 . 1 . 1 65 65 ILE HG22 H 1 0.854 0.001 . 1 . . . . A 61 ILE HG22 . 34494 1 781 . 1 . 1 65 65 ILE HG23 H 1 0.854 0.001 . 1 . . . . A 61 ILE HG23 . 34494 1 782 . 1 . 1 65 65 ILE HD11 H 1 0.869 0.001 . 1 . . . . A 61 ILE HD11 . 34494 1 783 . 1 . 1 65 65 ILE HD12 H 1 0.869 0.001 . 1 . . . . A 61 ILE HD12 . 34494 1 784 . 1 . 1 65 65 ILE HD13 H 1 0.869 0.001 . 1 . . . . A 61 ILE HD13 . 34494 1 785 . 1 . 1 65 65 ILE C C 13 174.224 0.000 . 1 . . . . A 61 ILE C . 34494 1 786 . 1 . 1 65 65 ILE CA C 13 59.066 0.082 . 1 . . . . A 61 ILE CA . 34494 1 787 . 1 . 1 65 65 ILE CB C 13 42.487 0.111 . 1 . . . . A 61 ILE CB . 34494 1 788 . 1 . 1 65 65 ILE CG1 C 13 25.931 0.040 . 1 . . . . A 61 ILE CG1 . 34494 1 789 . 1 . 1 65 65 ILE CG2 C 13 18.007 0.028 . 1 . . . . A 61 ILE CG2 . 34494 1 790 . 1 . 1 65 65 ILE CD1 C 13 13.745 0.039 . 1 . . . . A 61 ILE CD1 . 34494 1 791 . 1 . 1 65 65 ILE N N 15 116.744 0.006 . 1 . . . . A 61 ILE N . 34494 1 792 . 1 . 1 66 66 GLU H H 1 8.667 0.000 . 1 . . . . A 62 GLU H . 34494 1 793 . 1 . 1 66 66 GLU HA H 1 4.346 0.006 . 1 . . . . A 62 GLU HA . 34494 1 794 . 1 . 1 66 66 GLU HB2 H 1 2.070 0.003 . 2 . . . . A 62 GLU HB2 . 34494 1 795 . 1 . 1 66 66 GLU HB3 H 1 1.914 0.002 . 2 . . . . A 62 GLU HB3 . 34494 1 796 . 1 . 1 66 66 GLU HG2 H 1 2.308 0.001 . 2 . . . . A 62 GLU HG2 . 34494 1 797 . 1 . 1 66 66 GLU HG3 H 1 2.261 0.001 . 2 . . . . A 62 GLU HG3 . 34494 1 798 . 1 . 1 66 66 GLU C C 13 176.875 0.000 . 1 . . . . A 62 GLU C . 34494 1 799 . 1 . 1 66 66 GLU CA C 13 57.136 0.030 . 1 . . . . A 62 GLU CA . 34494 1 800 . 1 . 1 66 66 GLU CB C 13 30.189 0.096 . 1 . . . . A 62 GLU CB . 34494 1 801 . 1 . 1 66 66 GLU CG C 13 36.776 0.017 . 1 . . . . A 62 GLU CG . 34494 1 802 . 1 . 1 66 66 GLU N N 15 122.279 0.000 . 1 . . . . A 62 GLU N . 34494 1 803 . 1 . 1 67 67 GLU H H 1 8.285 0.001 . 1 . . . . A 63 GLU H . 34494 1 804 . 1 . 1 67 67 GLU HA H 1 4.093 0.004 . 1 . . . . A 63 GLU HA . 34494 1 805 . 1 . 1 67 67 GLU HB2 H 1 1.814 0.002 . 2 . . . . A 63 GLU HB2 . 34494 1 806 . 1 . 1 67 67 GLU HB3 H 1 1.814 0.002 . 2 . . . . A 63 GLU HB3 . 34494 1 807 . 1 . 1 67 67 GLU HG2 H 1 2.110 0.001 . 2 . . . . A 63 GLU HG2 . 34494 1 808 . 1 . 1 67 67 GLU HG3 H 1 2.110 0.001 . 2 . . . . A 63 GLU HG3 . 34494 1 809 . 1 . 1 67 67 GLU C C 13 176.397 0.000 . 1 . . . . A 63 GLU C . 34494 1 810 . 1 . 1 67 67 GLU CA C 13 57.157 0.050 . 1 . . . . A 63 GLU CA . 34494 1 811 . 1 . 1 67 67 GLU CB C 13 30.226 0.106 . 1 . . . . A 63 GLU CB . 34494 1 812 . 1 . 1 67 67 GLU CG C 13 36.008 0.013 . 1 . . . . A 63 GLU CG . 34494 1 813 . 1 . 1 67 67 GLU N N 15 123.610 0.000 . 1 . . . . A 63 GLU N . 34494 1 814 . 1 . 1 68 68 GLN H H 1 8.584 0.002 . 1 . . . . A 64 GLN H . 34494 1 815 . 1 . 1 68 68 GLN HA H 1 4.319 0.002 . 1 . . . . A 64 GLN HA . 34494 1 816 . 1 . 1 68 68 GLN HB2 H 1 2.083 0.002 . 2 . . . . A 64 GLN HB2 . 34494 1 817 . 1 . 1 68 68 GLN HB3 H 1 1.958 0.002 . 2 . . . . A 64 GLN HB3 . 34494 1 818 . 1 . 1 68 68 GLN HG2 H 1 2.356 0.001 . 2 . . . . A 64 GLN HG2 . 34494 1 819 . 1 . 1 68 68 GLN HG3 H 1 2.356 0.001 . 2 . . . . A 64 GLN HG3 . 34494 1 820 . 1 . 1 68 68 GLN HE21 H 1 7.595 0.000 . 2 . . . . A 64 GLN HE21 . 34494 1 821 . 1 . 1 68 68 GLN HE22 H 1 6.877 0.000 . 2 . . . . A 64 GLN HE22 . 34494 1 822 . 1 . 1 68 68 GLN C C 13 175.690 0.000 . 1 . . . . A 64 GLN C . 34494 1 823 . 1 . 1 68 68 GLN CA C 13 55.864 0.045 . 1 . . . . A 64 GLN CA . 34494 1 824 . 1 . 1 68 68 GLN CB C 13 29.561 0.054 . 1 . . . . A 64 GLN CB . 34494 1 825 . 1 . 1 68 68 GLN CG C 13 33.761 0.026 . 1 . . . . A 64 GLN CG . 34494 1 826 . 1 . 1 68 68 GLN N N 15 121.432 0.005 . 1 . . . . A 64 GLN N . 34494 1 827 . 1 . 1 68 68 GLN NE2 N 15 112.826 0.001 . 1 . . . . A 64 GLN NE2 . 34494 1 828 . 1 . 1 69 69 ASN H H 1 8.515 0.000 . 1 . . . . A 65 ASN H . 34494 1 829 . 1 . 1 69 69 ASN HA H 1 4.723 0.001 . 1 . . . . A 65 ASN HA . 34494 1 830 . 1 . 1 69 69 ASN HB2 H 1 2.715 0.001 . 2 . . . . A 65 ASN HB2 . 34494 1 831 . 1 . 1 69 69 ASN HB3 H 1 2.856 0.001 . 2 . . . . A 65 ASN HB3 . 34494 1 832 . 1 . 1 69 69 ASN HD21 H 1 7.623 0.000 . 2 . . . . A 65 ASN HD21 . 34494 1 833 . 1 . 1 69 69 ASN HD22 H 1 6.917 0.000 . 2 . . . . A 65 ASN HD22 . 34494 1 834 . 1 . 1 69 69 ASN C C 13 174.161 0.000 . 1 . . . . A 65 ASN C . 34494 1 835 . 1 . 1 69 69 ASN CA C 13 53.341 0.046 . 1 . . . . A 65 ASN CA . 34494 1 836 . 1 . 1 69 69 ASN CB C 13 38.819 0.070 . 1 . . . . A 65 ASN CB . 34494 1 837 . 1 . 1 69 69 ASN N N 15 120.298 0.005 . 1 . . . . A 65 ASN N . 34494 1 838 . 1 . 1 69 69 ASN ND2 N 15 113.117 0.001 . 1 . . . . A 65 ASN ND2 . 34494 1 839 . 1 . 1 70 70 ARG H H 1 7.873 0.000 . 1 . . . . A 66 ARG H . 34494 1 840 . 1 . 1 70 70 ARG HA H 1 4.135 0.000 . 1 . . . . A 66 ARG HA . 34494 1 841 . 1 . 1 70 70 ARG HB2 H 1 1.812 0.002 . 2 . . . . A 66 ARG HB2 . 34494 1 842 . 1 . 1 70 70 ARG HB3 H 1 1.693 0.002 . 2 . . . . A 66 ARG HB3 . 34494 1 843 . 1 . 1 70 70 ARG HG2 H 1 1.555 0.001 . 2 . . . . A 66 ARG HG2 . 34494 1 844 . 1 . 1 70 70 ARG HG3 H 1 1.555 0.001 . 2 . . . . A 66 ARG HG3 . 34494 1 845 . 1 . 1 70 70 ARG HD2 H 1 3.147 0.001 . 2 . . . . A 66 ARG HD2 . 34494 1 846 . 1 . 1 70 70 ARG HD3 H 1 3.147 0.001 . 2 . . . . A 66 ARG HD3 . 34494 1 847 . 1 . 1 70 70 ARG HE H 1 7.254 0.000 . 1 . . . . A 66 ARG HE . 34494 1 848 . 1 . 1 70 70 ARG CA C 13 57.547 0.051 . 1 . . . . A 66 ARG CA . 34494 1 849 . 1 . 1 70 70 ARG CB C 13 31.467 0.072 . 1 . . . . A 66 ARG CB . 34494 1 850 . 1 . 1 70 70 ARG CG C 13 27.230 0.022 . 1 . . . . A 66 ARG CG . 34494 1 851 . 1 . 1 70 70 ARG CD C 13 43.544 0.021 . 1 . . . . A 66 ARG CD . 34494 1 852 . 1 . 1 70 70 ARG N N 15 126.321 0.008 . 1 . . . . A 66 ARG N . 34494 1 853 . 1 . 1 70 70 ARG NE N 15 85.099 0.008 . 1 . . . . A 66 ARG NE . 34494 1 stop_ save_