data_34495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34495 _Entry.Title ; Rhodospirillum rubrum reduced 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' 34495 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. . . . 34495 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANAEROBIC METABOLISM' . 34495 'METAL BINDING PROTEIN' . 34495 'NICKEL-BINDING PROTEIN' . 34495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 34495 '15N chemical shifts' 78 34495 '1H chemical shifts' 487 34495 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 . 34495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y8W . 34495 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34495 _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 reduced 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. . . . 34495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34495 _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 . . . . . . 34495 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34495 _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 free' _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 . 34495 1 2 -2 PRO . 34495 1 3 -1 GLY . 34495 1 4 0 SER . 34495 1 5 1 MET . 34495 1 6 2 CYS . 34495 1 7 3 MET . 34495 1 8 4 ALA . 34495 1 9 5 LYS . 34495 1 10 6 VAL . 34495 1 11 7 VAL . 34495 1 12 8 LEU . 34495 1 13 9 THR . 34495 1 14 10 LYS . 34495 1 15 11 ALA . 34495 1 16 12 ASP . 34495 1 17 13 GLY . 34495 1 18 14 GLY . 34495 1 19 15 ARG . 34495 1 20 16 VAL . 34495 1 21 17 GLU . 34495 1 22 18 ILE . 34495 1 23 19 GLY . 34495 1 24 20 ASP . 34495 1 25 21 VAL . 34495 1 26 22 LEU . 34495 1 27 23 GLU . 34495 1 28 24 VAL . 34495 1 29 25 ARG . 34495 1 30 26 ALA . 34495 1 31 27 GLU . 34495 1 32 28 GLY . 34495 1 33 29 GLY . 34495 1 34 30 ALA . 34495 1 35 31 VAL . 34495 1 36 32 ARG . 34495 1 37 33 VAL . 34495 1 38 34 THR . 34495 1 39 35 THR . 34495 1 40 36 LEU . 34495 1 41 37 PHE . 34495 1 42 38 ASP . 34495 1 43 39 GLU . 34495 1 44 40 GLU . 34495 1 45 41 HIS . 34495 1 46 42 ALA . 34495 1 47 43 PHE . 34495 1 48 44 PRO . 34495 1 49 45 GLY . 34495 1 50 46 LEU . 34495 1 51 47 ALA . 34495 1 52 48 ILE . 34495 1 53 49 GLY . 34495 1 54 50 ARG . 34495 1 55 51 VAL . 34495 1 56 52 ASP . 34495 1 57 53 LEU . 34495 1 58 54 ARG . 34495 1 59 55 SER . 34495 1 60 56 GLY . 34495 1 61 57 VAL . 34495 1 62 58 ILE . 34495 1 63 59 SER . 34495 1 64 60 LEU . 34495 1 65 61 ILE . 34495 1 66 62 GLU . 34495 1 67 63 GLU . 34495 1 68 64 GLN . 34495 1 69 65 ASN . 34495 1 70 66 ARG . 34495 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 34495 1 . PRO 2 2 34495 1 . GLY 3 3 34495 1 . SER 4 4 34495 1 . MET 5 5 34495 1 . CYS 6 6 34495 1 . MET 7 7 34495 1 . ALA 8 8 34495 1 . LYS 9 9 34495 1 . VAL 10 10 34495 1 . VAL 11 11 34495 1 . LEU 12 12 34495 1 . THR 13 13 34495 1 . LYS 14 14 34495 1 . ALA 15 15 34495 1 . ASP 16 16 34495 1 . GLY 17 17 34495 1 . GLY 18 18 34495 1 . ARG 19 19 34495 1 . VAL 20 20 34495 1 . GLU 21 21 34495 1 . ILE 22 22 34495 1 . GLY 23 23 34495 1 . ASP 24 24 34495 1 . VAL 25 25 34495 1 . LEU 26 26 34495 1 . GLU 27 27 34495 1 . VAL 28 28 34495 1 . ARG 29 29 34495 1 . ALA 30 30 34495 1 . GLU 31 31 34495 1 . GLY 32 32 34495 1 . GLY 33 33 34495 1 . ALA 34 34 34495 1 . VAL 35 35 34495 1 . ARG 36 36 34495 1 . VAL 37 37 34495 1 . THR 38 38 34495 1 . THR 39 39 34495 1 . LEU 40 40 34495 1 . PHE 41 41 34495 1 . ASP 42 42 34495 1 . GLU 43 43 34495 1 . GLU 44 44 34495 1 . HIS 45 45 34495 1 . ALA 46 46 34495 1 . PHE 47 47 34495 1 . PRO 48 48 34495 1 . GLY 49 49 34495 1 . LEU 50 50 34495 1 . ALA 51 51 34495 1 . ILE 52 52 34495 1 . GLY 53 53 34495 1 . ARG 54 54 34495 1 . VAL 55 55 34495 1 . ASP 56 56 34495 1 . LEU 57 57 34495 1 . ARG 58 58 34495 1 . SER 59 59 34495 1 . GLY 60 60 34495 1 . VAL 61 61 34495 1 . ILE 62 62 34495 1 . SER 63 63 34495 1 . LEU 64 64 34495 1 . ILE 65 65 34495 1 . GLU 66 66 34495 1 . GLU 67 67 34495 1 . GLN 68 68 34495 1 . ASN 69 69 34495 1 . ARG 70 70 34495 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 34495 _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 . 34495 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 34495 _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 . . . . . . . . . . 34495 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34495 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-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-13C; U-15N]' 1 $assembly 1 $entity_1 . . 1 . . mM 0.1 . . . 34495 1 2 'NaP buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 34495 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 34495 _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' 0.1 . M 34495 1 pH 6.0 . pH 34495 1 pressure 1 . atm 34495 1 temperature 298 . K 34495 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34495 _Software.ID 1 _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 . . 34495 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34495 1 . 'peak picking' 34495 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34495 _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' . . 34495 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34495 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34495 _Software.ID 3 _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' . . 34495 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34495 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34495 _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' . . 34495 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34495 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 34495 _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 34495 _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 . . . 34495 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 34495 _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 . . . . . . . . . . . . . . . . 34495 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34495 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 34495 _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 . . . . . 34495 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34495 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 34495 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 34495 _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' . . . 34495 1 2 '3D CBCA(CO)NH' . . . 34495 1 3 '3D HNCO' . . . 34495 1 4 '3D HNCACB' . . . 34495 1 5 '3D HCCH-TOCSY' . . . 34495 1 6 '3D 1H-15N NOESY' . . . 34495 1 7 '3D C(CO)NH' . . . 34495 1 8 '3D 1H-15N NOESY' . . . 34495 1 9 '2D 1H-13C HSQC aromatic' . . . 34495 1 10 '2D 1H-13C HSQC aliphatic' . . . 34495 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 H H 1 8.654 0.000 . 1 . . . . A -3 GLY H1 . 34495 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.996 0.000 . 2 . . . . A -3 GLY HA2 . 34495 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.996 0.000 . 2 . . . . A -3 GLY HA3 . 34495 1 4 . 1 . 1 1 1 GLY CA C 13 44.264 0.860 . 1 . . . . A -3 GLY CA . 34495 1 5 . 1 . 1 1 1 GLY N N 15 110.376 0.000 . 1 . . . . A -3 GLY N . 34495 1 6 . 1 . 1 2 2 PRO HA H 1 4.491 0.001 . 1 . . . . A -2 PRO HA . 34495 1 7 . 1 . 1 2 2 PRO HB2 H 1 2.312 0.001 . 2 . . . . A -2 PRO HB2 . 34495 1 8 . 1 . 1 2 2 PRO HB3 H 1 2.312 0.001 . 2 . . . . A -2 PRO HB3 . 34495 1 9 . 1 . 1 2 2 PRO HG2 H 1 2.030 0.004 . 2 . . . . A -2 PRO HG2 . 34495 1 10 . 1 . 1 2 2 PRO HG3 H 1 2.030 0.004 . 2 . . . . A -2 PRO HG3 . 34495 1 11 . 1 . 1 2 2 PRO HD2 H 1 3.571 0.001 . 2 . . . . A -2 PRO HD2 . 34495 1 12 . 1 . 1 2 2 PRO HD3 H 1 3.607 0.001 . 2 . . . . A -2 PRO HD3 . 34495 1 13 . 1 . 1 2 2 PRO C C 13 177.348 0.000 . 1 . . . . A -2 PRO C . 34495 1 14 . 1 . 1 2 2 PRO CA C 13 63.421 0.061 . 1 . . . . A -2 PRO CA . 34495 1 15 . 1 . 1 2 2 PRO CB C 13 32.224 0.030 . 1 . . . . A -2 PRO CB . 34495 1 16 . 1 . 1 2 2 PRO CG C 13 27.084 0.037 . 1 . . . . A -2 PRO CG . 34495 1 17 . 1 . 1 2 2 PRO CD C 13 49.639 0.037 . 1 . . . . A -2 PRO CD . 34495 1 18 . 1 . 1 3 3 GLY H H 1 8.612 0.001 . 1 . . . . A -1 GLY H . 34495 1 19 . 1 . 1 3 3 GLY HA2 H 1 4.002 0.001 . 2 . . . . A -1 GLY HA2 . 34495 1 20 . 1 . 1 3 3 GLY HA3 H 1 4.002 0.001 . 2 . . . . A -1 GLY HA3 . 34495 1 21 . 1 . 1 3 3 GLY C C 13 174.000 0.000 . 1 . . . . A -1 GLY C . 34495 1 22 . 1 . 1 3 3 GLY CA C 13 45.293 0.050 . 1 . . . . A -1 GLY CA . 34495 1 23 . 1 . 1 3 3 GLY N N 15 109.849 0.007 . 1 . . . . A -1 GLY N . 34495 1 24 . 1 . 1 4 4 SER H H 1 8.151 0.001 . 1 . . . . A 0 SER H . 34495 1 25 . 1 . 1 4 4 SER HA H 1 4.514 0.003 . 1 . . . . A 0 SER HA . 34495 1 26 . 1 . 1 4 4 SER HB2 H 1 3.871 0.000 . 2 . . . . A 0 SER HB2 . 34495 1 27 . 1 . 1 4 4 SER HB3 H 1 3.871 0.000 . 2 . . . . A 0 SER HB3 . 34495 1 28 . 1 . 1 4 4 SER C C 13 174.372 0.000 . 1 . . . . A 0 SER C . 34495 1 29 . 1 . 1 4 4 SER CA C 13 58.296 0.089 . 1 . . . . A 0 SER CA . 34495 1 30 . 1 . 1 4 4 SER CB C 13 64.190 0.071 . 1 . . . . A 0 SER CB . 34495 1 31 . 1 . 1 4 4 SER N N 15 115.252 0.006 . 1 . . . . A 0 SER N . 34495 1 32 . 1 . 1 5 5 MET H H 1 8.436 0.001 . 1 . . . . A 1 MET H . 34495 1 33 . 1 . 1 5 5 MET HA H 1 4.520 0.009 . 1 . . . . A 1 MET HA . 34495 1 34 . 1 . 1 5 5 MET HB2 H 1 2.069 0.001 . 2 . . . . A 1 MET HB2 . 34495 1 35 . 1 . 1 5 5 MET HB3 H 1 2.069 0.001 . 2 . . . . A 1 MET HB3 . 34495 1 36 . 1 . 1 5 5 MET HG2 H 1 2.545 0.001 . 2 . . . . A 1 MET HG2 . 34495 1 37 . 1 . 1 5 5 MET HG3 H 1 2.545 0.001 . 2 . . . . A 1 MET HG3 . 34495 1 38 . 1 . 1 5 5 MET HE1 H 1 2.031 0.000 . 1 . . . . A 1 MET HE1 . 34495 1 39 . 1 . 1 5 5 MET HE2 H 1 2.031 0.000 . 1 . . . . A 1 MET HE2 . 34495 1 40 . 1 . 1 5 5 MET HE3 H 1 2.031 0.000 . 1 . . . . A 1 MET HE3 . 34495 1 41 . 1 . 1 5 5 MET C C 13 175.716 0.000 . 1 . . . . A 1 MET C . 34495 1 42 . 1 . 1 5 5 MET CA C 13 55.788 0.058 . 1 . . . . A 1 MET CA . 34495 1 43 . 1 . 1 5 5 MET CB C 13 33.190 0.038 . 1 . . . . A 1 MET CB . 34495 1 44 . 1 . 1 5 5 MET CG C 13 31.911 0.046 . 1 . . . . A 1 MET CG . 34495 1 45 . 1 . 1 5 5 MET CE C 13 17.187 0.000 . 1 . . . . A 1 MET CE . 34495 1 46 . 1 . 1 5 5 MET N N 15 121.710 0.009 . 1 . . . . A 1 MET N . 34495 1 47 . 1 . 1 6 6 CYS H H 1 8.311 0.001 . 1 . . . . A 2 CYS H . 34495 1 48 . 1 . 1 6 6 CYS HA H 1 4.511 0.002 . 1 . . . . A 2 CYS HA . 34495 1 49 . 1 . 1 6 6 CYS HB2 H 1 2.922 0.001 . 2 . . . . A 2 CYS HB2 . 34495 1 50 . 1 . 1 6 6 CYS HB3 H 1 2.922 0.001 . 2 . . . . A 2 CYS HB3 . 34495 1 51 . 1 . 1 6 6 CYS C C 13 173.414 0.000 . 1 . . . . A 2 CYS C . 34495 1 52 . 1 . 1 6 6 CYS CA C 13 58.553 0.114 . 1 . . . . A 2 CYS CA . 34495 1 53 . 1 . 1 6 6 CYS CB C 13 28.427 0.031 . 1 . . . . A 2 CYS CB . 34495 1 54 . 1 . 1 6 6 CYS N N 15 120.335 0.005 . 1 . . . . A 2 CYS N . 34495 1 55 . 1 . 1 7 7 MET H H 1 8.220 0.001 . 1 . . . . A 3 MET H . 34495 1 56 . 1 . 1 7 7 MET HA H 1 4.607 0.002 . 1 . . . . A 3 MET HA . 34495 1 57 . 1 . 1 7 7 MET HB2 H 1 2.038 0.003 . 2 . . . . A 3 MET HB2 . 34495 1 58 . 1 . 1 7 7 MET HB3 H 1 2.038 0.003 . 2 . . . . A 3 MET HB3 . 34495 1 59 . 1 . 1 7 7 MET HG2 H 1 2.418 0.003 . 2 . . . . A 3 MET HG2 . 34495 1 60 . 1 . 1 7 7 MET HG3 H 1 2.533 0.042 . 2 . . . . A 3 MET HG3 . 34495 1 61 . 1 . 1 7 7 MET HE1 H 1 2.051 0.000 . 1 . . . . A 3 MET HE1 . 34495 1 62 . 1 . 1 7 7 MET HE2 H 1 2.051 0.000 . 1 . . . . A 3 MET HE2 . 34495 1 63 . 1 . 1 7 7 MET HE3 H 1 2.051 0.000 . 1 . . . . A 3 MET HE3 . 34495 1 64 . 1 . 1 7 7 MET C C 13 175.017 0.000 . 1 . . . . A 3 MET C . 34495 1 65 . 1 . 1 7 7 MET CA C 13 55.112 0.114 . 1 . . . . A 3 MET CA . 34495 1 66 . 1 . 1 7 7 MET CB C 13 34.291 0.075 . 1 . . . . A 3 MET CB . 34495 1 67 . 1 . 1 7 7 MET CG C 13 32.337 0.090 . 1 . . . . A 3 MET CG . 34495 1 68 . 1 . 1 7 7 MET CE C 13 17.347 0.000 . 1 . . . . A 3 MET CE . 34495 1 69 . 1 . 1 7 7 MET N N 15 121.382 0.007 . 1 . . . . A 3 MET N . 34495 1 70 . 1 . 1 8 8 ALA H H 1 8.368 0.001 . 1 . . . . A 4 ALA H . 34495 1 71 . 1 . 1 8 8 ALA HA H 1 4.878 0.006 . 1 . . . . A 4 ALA HA . 34495 1 72 . 1 . 1 8 8 ALA HB1 H 1 1.160 0.002 . 1 . . . . A 4 ALA HB1 . 34495 1 73 . 1 . 1 8 8 ALA HB2 H 1 1.160 0.002 . 1 . . . . A 4 ALA HB2 . 34495 1 74 . 1 . 1 8 8 ALA HB3 H 1 1.160 0.002 . 1 . . . . A 4 ALA HB3 . 34495 1 75 . 1 . 1 8 8 ALA C C 13 175.539 0.000 . 1 . . . . A 4 ALA C . 34495 1 76 . 1 . 1 8 8 ALA CA C 13 51.045 0.104 . 1 . . . . A 4 ALA CA . 34495 1 77 . 1 . 1 8 8 ALA CB C 13 21.678 0.028 . 1 . . . . A 4 ALA CB . 34495 1 78 . 1 . 1 8 8 ALA N N 15 123.680 0.017 . 1 . . . . A 4 ALA N . 34495 1 79 . 1 . 1 9 9 LYS H H 1 8.202 0.001 . 1 . . . . A 5 LYS H . 34495 1 80 . 1 . 1 9 9 LYS HA H 1 5.239 0.002 . 1 . . . . A 5 LYS HA . 34495 1 81 . 1 . 1 9 9 LYS HB2 H 1 1.666 0.002 . 2 . . . . A 5 LYS HB2 . 34495 1 82 . 1 . 1 9 9 LYS HB3 H 1 1.691 0.000 . 2 . . . . A 5 LYS HB3 . 34495 1 83 . 1 . 1 9 9 LYS HG2 H 1 1.319 0.003 . 2 . . . . A 5 LYS HG2 . 34495 1 84 . 1 . 1 9 9 LYS HG3 H 1 1.393 0.006 . 2 . . . . A 5 LYS HG3 . 34495 1 85 . 1 . 1 9 9 LYS HD2 H 1 1.550 0.001 . 2 . . . . A 5 LYS HD2 . 34495 1 86 . 1 . 1 9 9 LYS HD3 H 1 1.550 0.001 . 2 . . . . A 5 LYS HD3 . 34495 1 87 . 1 . 1 9 9 LYS HE2 H 1 2.813 0.001 . 2 . . . . A 5 LYS HE2 . 34495 1 88 . 1 . 1 9 9 LYS HE3 H 1 2.865 0.003 . 2 . . . . A 5 LYS HE3 . 34495 1 89 . 1 . 1 9 9 LYS C C 13 175.251 0.000 . 1 . . . . A 5 LYS C . 34495 1 90 . 1 . 1 9 9 LYS CA C 13 54.267 0.091 . 1 . . . . A 5 LYS CA . 34495 1 91 . 1 . 1 9 9 LYS CB C 13 35.890 0.049 . 1 . . . . A 5 LYS CB . 34495 1 92 . 1 . 1 9 9 LYS CG C 13 24.419 0.039 . 1 . . . . A 5 LYS CG . 34495 1 93 . 1 . 1 9 9 LYS CD C 13 29.567 0.051 . 1 . . . . A 5 LYS CD . 34495 1 94 . 1 . 1 9 9 LYS CE C 13 42.008 0.033 . 1 . . . . A 5 LYS CE . 34495 1 95 . 1 . 1 9 9 LYS N N 15 117.641 0.009 . 1 . . . . A 5 LYS N . 34495 1 96 . 1 . 1 10 10 VAL H H 1 9.053 0.003 . 1 . . . . A 6 VAL H . 34495 1 97 . 1 . 1 10 10 VAL HA H 1 5.283 0.004 . 1 . . . . A 6 VAL HA . 34495 1 98 . 1 . 1 10 10 VAL HB H 1 1.787 0.002 . 1 . . . . A 6 VAL HB . 34495 1 99 . 1 . 1 10 10 VAL HG11 H 1 0.756 0.001 . 2 . . . . A 6 VAL HG11 . 34495 1 100 . 1 . 1 10 10 VAL HG12 H 1 0.756 0.001 . 2 . . . . A 6 VAL HG12 . 34495 1 101 . 1 . 1 10 10 VAL HG13 H 1 0.756 0.001 . 2 . . . . A 6 VAL HG13 . 34495 1 102 . 1 . 1 10 10 VAL HG21 H 1 0.954 0.003 . 2 . . . . A 6 VAL HG21 . 34495 1 103 . 1 . 1 10 10 VAL HG22 H 1 0.954 0.003 . 2 . . . . A 6 VAL HG22 . 34495 1 104 . 1 . 1 10 10 VAL HG23 H 1 0.954 0.003 . 2 . . . . A 6 VAL HG23 . 34495 1 105 . 1 . 1 10 10 VAL C C 13 174.540 0.000 . 1 . . . . A 6 VAL C . 34495 1 106 . 1 . 1 10 10 VAL CA C 13 59.930 0.091 . 1 . . . . A 6 VAL CA . 34495 1 107 . 1 . 1 10 10 VAL CB C 13 33.871 0.060 . 1 . . . . A 6 VAL CB . 34495 1 108 . 1 . 1 10 10 VAL CG1 C 13 21.654 0.018 . 1 . . . . A 6 VAL CG1 . 34495 1 109 . 1 . 1 10 10 VAL CG2 C 13 24.726 0.041 . 1 . . . . A 6 VAL CG2 . 34495 1 110 . 1 . 1 10 10 VAL N N 15 122.805 0.025 . 1 . . . . A 6 VAL N . 34495 1 111 . 1 . 1 11 11 VAL H H 1 8.707 0.001 . 1 . . . . A 7 VAL H . 34495 1 112 . 1 . 1 11 11 VAL HA H 1 5.126 0.006 . 1 . . . . A 7 VAL HA . 34495 1 113 . 1 . 1 11 11 VAL HB H 1 1.865 0.002 . 1 . . . . A 7 VAL HB . 34495 1 114 . 1 . 1 11 11 VAL HG11 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG11 . 34495 1 115 . 1 . 1 11 11 VAL HG12 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG12 . 34495 1 116 . 1 . 1 11 11 VAL HG13 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG13 . 34495 1 117 . 1 . 1 11 11 VAL HG21 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG21 . 34495 1 118 . 1 . 1 11 11 VAL HG22 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG22 . 34495 1 119 . 1 . 1 11 11 VAL HG23 H 1 0.839 0.000 . 2 . . . . A 7 VAL HG23 . 34495 1 120 . 1 . 1 11 11 VAL C C 13 174.212 0.000 . 1 . . . . A 7 VAL C . 34495 1 121 . 1 . 1 11 11 VAL CA C 13 60.036 0.096 . 1 . . . . A 7 VAL CA . 34495 1 122 . 1 . 1 11 11 VAL CB C 13 35.048 0.073 . 1 . . . . A 7 VAL CB . 34495 1 123 . 1 . 1 11 11 VAL CG1 C 13 21.158 0.045 . 1 . . . . A 7 VAL CG1 . 34495 1 124 . 1 . 1 11 11 VAL CG2 C 13 21.221 0.069 . 1 . . . . A 7 VAL CG2 . 34495 1 125 . 1 . 1 11 11 VAL N N 15 123.654 0.013 . 1 . . . . A 7 VAL N . 34495 1 126 . 1 . 1 12 12 LEU H H 1 8.760 0.002 . 1 . . . . A 8 LEU H . 34495 1 127 . 1 . 1 12 12 LEU HA H 1 4.720 0.003 . 1 . . . . A 8 LEU HA . 34495 1 128 . 1 . 1 12 12 LEU HB2 H 1 1.321 0.002 . 2 . . . . A 8 LEU HB2 . 34495 1 129 . 1 . 1 12 12 LEU HB3 H 1 1.485 0.003 . 2 . . . . A 8 LEU HB3 . 34495 1 130 . 1 . 1 12 12 LEU HG H 1 1.307 0.005 . 1 . . . . A 8 LEU HG . 34495 1 131 . 1 . 1 12 12 LEU HD11 H 1 0.192 0.001 . 2 . . . . A 8 LEU HD11 . 34495 1 132 . 1 . 1 12 12 LEU HD12 H 1 0.192 0.001 . 2 . . . . A 8 LEU HD12 . 34495 1 133 . 1 . 1 12 12 LEU HD13 H 1 0.192 0.001 . 2 . . . . A 8 LEU HD13 . 34495 1 134 . 1 . 1 12 12 LEU HD21 H 1 0.385 0.001 . 2 . . . . A 8 LEU HD21 . 34495 1 135 . 1 . 1 12 12 LEU HD22 H 1 0.385 0.001 . 2 . . . . A 8 LEU HD22 . 34495 1 136 . 1 . 1 12 12 LEU HD23 H 1 0.385 0.001 . 2 . . . . A 8 LEU HD23 . 34495 1 137 . 1 . 1 12 12 LEU C C 13 174.623 0.000 . 1 . . . . A 8 LEU C . 34495 1 138 . 1 . 1 12 12 LEU CA C 13 54.340 0.155 . 1 . . . . A 8 LEU CA . 34495 1 139 . 1 . 1 12 12 LEU CB C 13 44.294 0.052 . 1 . . . . A 8 LEU CB . 34495 1 140 . 1 . 1 12 12 LEU CG C 13 26.441 0.055 . 1 . . . . A 8 LEU CG . 34495 1 141 . 1 . 1 12 12 LEU CD1 C 13 26.437 0.045 . 1 . . . . A 8 LEU CD1 . 34495 1 142 . 1 . 1 12 12 LEU CD2 C 13 25.356 0.058 . 1 . . . . A 8 LEU CD2 . 34495 1 143 . 1 . 1 12 12 LEU N N 15 124.777 0.010 . 1 . . . . A 8 LEU N . 34495 1 144 . 1 . 1 13 13 THR H H 1 8.594 0.003 . 1 . . . . A 9 THR H . 34495 1 145 . 1 . 1 13 13 THR HA H 1 4.813 0.008 . 1 . . . . A 9 THR HA . 34495 1 146 . 1 . 1 13 13 THR HB H 1 3.985 0.002 . 1 . . . . A 9 THR HB . 34495 1 147 . 1 . 1 13 13 THR HG21 H 1 1.197 0.001 . 1 . . . . A 9 THR HG21 . 34495 1 148 . 1 . 1 13 13 THR HG22 H 1 1.197 0.001 . 1 . . . . A 9 THR HG22 . 34495 1 149 . 1 . 1 13 13 THR HG23 H 1 1.197 0.001 . 1 . . . . A 9 THR HG23 . 34495 1 150 . 1 . 1 13 13 THR C C 13 174.559 0.000 . 1 . . . . A 9 THR C . 34495 1 151 . 1 . 1 13 13 THR CA C 13 61.551 0.135 . 1 . . . . A 9 THR CA . 34495 1 152 . 1 . 1 13 13 THR CB C 13 69.908 0.076 . 1 . . . . A 9 THR CB . 34495 1 153 . 1 . 1 13 13 THR CG2 C 13 21.457 0.073 . 1 . . . . A 9 THR CG2 . 34495 1 154 . 1 . 1 13 13 THR N N 15 118.140 0.017 . 1 . . . . A 9 THR N . 34495 1 155 . 1 . 1 14 14 LYS H H 1 8.747 0.001 . 1 . . . . A 10 LYS H . 34495 1 156 . 1 . 1 14 14 LYS HA H 1 4.378 0.004 . 1 . . . . A 10 LYS HA . 34495 1 157 . 1 . 1 14 14 LYS HB2 H 1 1.971 0.003 . 2 . . . . A 10 LYS HB2 . 34495 1 158 . 1 . 1 14 14 LYS HB3 H 1 1.873 0.004 . 2 . . . . A 10 LYS HB3 . 34495 1 159 . 1 . 1 14 14 LYS HG2 H 1 1.378 0.002 . 2 . . . . A 10 LYS HG2 . 34495 1 160 . 1 . 1 14 14 LYS HG3 H 1 1.378 0.002 . 2 . . . . A 10 LYS HG3 . 34495 1 161 . 1 . 1 14 14 LYS HD2 H 1 1.674 0.003 . 2 . . . . A 10 LYS HD2 . 34495 1 162 . 1 . 1 14 14 LYS HD3 H 1 1.674 0.003 . 2 . . . . A 10 LYS HD3 . 34495 1 163 . 1 . 1 14 14 LYS HE2 H 1 2.873 0.002 . 2 . . . . A 10 LYS HE2 . 34495 1 164 . 1 . 1 14 14 LYS HE3 H 1 3.017 0.001 . 2 . . . . A 10 LYS HE3 . 34495 1 165 . 1 . 1 14 14 LYS C C 13 178.388 0.000 . 1 . . . . A 10 LYS C . 34495 1 166 . 1 . 1 14 14 LYS CA C 13 55.699 0.062 . 1 . . . . A 10 LYS CA . 34495 1 167 . 1 . 1 14 14 LYS CB C 13 34.013 0.042 . 1 . . . . A 10 LYS CB . 34495 1 168 . 1 . 1 14 14 LYS CG C 13 25.367 0.043 . 1 . . . . A 10 LYS CG . 34495 1 169 . 1 . 1 14 14 LYS CD C 13 29.028 0.036 . 1 . . . . A 10 LYS CD . 34495 1 170 . 1 . 1 14 14 LYS CE C 13 41.543 0.025 . 1 . . . . A 10 LYS CE . 34495 1 171 . 1 . 1 14 14 LYS N N 15 125.416 0.007 . 1 . . . . A 10 LYS N . 34495 1 172 . 1 . 1 15 15 ALA H H 1 8.976 0.001 . 1 . . . . A 11 ALA H . 34495 1 173 . 1 . 1 15 15 ALA HA H 1 4.118 0.001 . 1 . . . . A 11 ALA HA . 34495 1 174 . 1 . 1 15 15 ALA HB1 H 1 1.468 0.001 . 1 . . . . A 11 ALA HB1 . 34495 1 175 . 1 . 1 15 15 ALA HB2 H 1 1.468 0.001 . 1 . . . . A 11 ALA HB2 . 34495 1 176 . 1 . 1 15 15 ALA HB3 H 1 1.468 0.001 . 1 . . . . A 11 ALA HB3 . 34495 1 177 . 1 . 1 15 15 ALA C C 13 178.400 0.000 . 1 . . . . A 11 ALA C . 34495 1 178 . 1 . 1 15 15 ALA CA C 13 55.035 0.121 . 1 . . . . A 11 ALA CA . 34495 1 179 . 1 . 1 15 15 ALA CB C 13 18.256 0.031 . 1 . . . . A 11 ALA CB . 34495 1 180 . 1 . 1 15 15 ALA N N 15 125.012 0.008 . 1 . . . . A 11 ALA N . 34495 1 181 . 1 . 1 16 16 ASP H H 1 7.785 0.001 . 1 . . . . A 12 ASP H . 34495 1 182 . 1 . 1 16 16 ASP HA H 1 4.502 0.007 . 1 . . . . A 12 ASP HA . 34495 1 183 . 1 . 1 16 16 ASP HB2 H 1 2.605 0.001 . 2 . . . . A 12 ASP HB2 . 34495 1 184 . 1 . 1 16 16 ASP HB3 H 1 3.036 0.002 . 2 . . . . A 12 ASP HB3 . 34495 1 185 . 1 . 1 16 16 ASP C C 13 176.996 0.000 . 1 . . . . A 12 ASP C . 34495 1 186 . 1 . 1 16 16 ASP CA C 13 53.362 0.129 . 1 . . . . A 12 ASP CA . 34495 1 187 . 1 . 1 16 16 ASP CB C 13 39.972 0.027 . 1 . . . . A 12 ASP CB . 34495 1 188 . 1 . 1 16 16 ASP N N 15 113.909 0.007 . 1 . . . . A 12 ASP N . 34495 1 189 . 1 . 1 17 17 GLY H H 1 8.128 0.001 . 1 . . . . A 13 GLY H . 34495 1 190 . 1 . 1 17 17 GLY HA2 H 1 3.574 0.008 . 2 . . . . A 13 GLY HA2 . 34495 1 191 . 1 . 1 17 17 GLY HA3 H 1 4.347 0.004 . 2 . . . . A 13 GLY HA3 . 34495 1 192 . 1 . 1 17 17 GLY C C 13 175.083 0.000 . 1 . . . . A 13 GLY C . 34495 1 193 . 1 . 1 17 17 GLY CA C 13 44.837 0.081 . 1 . . . . A 13 GLY CA . 34495 1 194 . 1 . 1 17 17 GLY N N 15 108.973 0.003 . 1 . . . . A 13 GLY N . 34495 1 195 . 1 . 1 18 18 GLY H H 1 8.495 0.001 . 1 . . . . A 14 GLY H . 34495 1 196 . 1 . 1 18 18 GLY HA2 H 1 3.747 0.002 . 2 . . . . A 14 GLY HA2 . 34495 1 197 . 1 . 1 18 18 GLY HA3 H 1 4.028 0.004 . 2 . . . . A 14 GLY HA3 . 34495 1 198 . 1 . 1 18 18 GLY C C 13 172.215 0.000 . 1 . . . . A 14 GLY C . 34495 1 199 . 1 . 1 18 18 GLY CA C 13 45.449 0.069 . 1 . . . . A 14 GLY CA . 34495 1 200 . 1 . 1 18 18 GLY N N 15 110.037 0.003 . 1 . . . . A 14 GLY N . 34495 1 201 . 1 . 1 19 19 ARG H H 1 8.453 0.003 . 1 . . . . A 15 ARG H . 34495 1 202 . 1 . 1 19 19 ARG HA H 1 5.093 0.001 . 1 . . . . A 15 ARG HA . 34495 1 203 . 1 . 1 19 19 ARG HB2 H 1 1.742 0.001 . 2 . . . . A 15 ARG HB2 . 34495 1 204 . 1 . 1 19 19 ARG HB3 H 1 1.742 0.001 . 2 . . . . A 15 ARG HB3 . 34495 1 205 . 1 . 1 19 19 ARG HG2 H 1 1.597 0.001 . 2 . . . . A 15 ARG HG2 . 34495 1 206 . 1 . 1 19 19 ARG HG3 H 1 1.508 0.004 . 2 . . . . A 15 ARG HG3 . 34495 1 207 . 1 . 1 19 19 ARG HD2 H 1 3.142 0.002 . 2 . . . . A 15 ARG HD2 . 34495 1 208 . 1 . 1 19 19 ARG HD3 H 1 3.142 0.002 . 2 . . . . A 15 ARG HD3 . 34495 1 209 . 1 . 1 19 19 ARG HE H 1 7.338 0.002 . 1 . . . . A 15 ARG HE . 34495 1 210 . 1 . 1 19 19 ARG C C 13 176.174 0.000 . 1 . . . . A 15 ARG C . 34495 1 211 . 1 . 1 19 19 ARG CA C 13 55.363 0.139 . 1 . . . . A 15 ARG CA . 34495 1 212 . 1 . 1 19 19 ARG CB C 13 32.631 0.041 . 1 . . . . A 15 ARG CB . 34495 1 213 . 1 . 1 19 19 ARG CG C 13 27.601 0.043 . 1 . . . . A 15 ARG CG . 34495 1 214 . 1 . 1 19 19 ARG CD C 13 43.513 0.027 . 1 . . . . A 15 ARG CD . 34495 1 215 . 1 . 1 19 19 ARG N N 15 122.646 0.027 . 1 . . . . A 15 ARG N . 34495 1 216 . 1 . 1 19 19 ARG NE N 15 84.833 0.003 . 1 . . . . A 15 ARG NE . 34495 1 217 . 1 . 1 20 20 VAL H H 1 8.877 0.001 . 1 . . . . A 16 VAL H . 34495 1 218 . 1 . 1 20 20 VAL HA H 1 4.245 0.001 . 1 . . . . A 16 VAL HA . 34495 1 219 . 1 . 1 20 20 VAL HB H 1 1.786 0.001 . 1 . . . . A 16 VAL HB . 34495 1 220 . 1 . 1 20 20 VAL HG11 H 1 0.887 0.004 . 2 . . . . A 16 VAL HG11 . 34495 1 221 . 1 . 1 20 20 VAL HG12 H 1 0.887 0.004 . 2 . . . . A 16 VAL HG12 . 34495 1 222 . 1 . 1 20 20 VAL HG13 H 1 0.887 0.004 . 2 . . . . A 16 VAL HG13 . 34495 1 223 . 1 . 1 20 20 VAL HG21 H 1 0.845 0.000 . 2 . . . . A 16 VAL HG21 . 34495 1 224 . 1 . 1 20 20 VAL HG22 H 1 0.845 0.000 . 2 . . . . A 16 VAL HG22 . 34495 1 225 . 1 . 1 20 20 VAL HG23 H 1 0.845 0.000 . 2 . . . . A 16 VAL HG23 . 34495 1 226 . 1 . 1 20 20 VAL C C 13 173.690 0.000 . 1 . . . . A 16 VAL C . 34495 1 227 . 1 . 1 20 20 VAL CA C 13 61.686 0.076 . 1 . . . . A 16 VAL CA . 34495 1 228 . 1 . 1 20 20 VAL CB C 13 34.795 0.035 . 1 . . . . A 16 VAL CB . 34495 1 229 . 1 . 1 20 20 VAL CG1 C 13 21.055 0.118 . 1 . . . . A 16 VAL CG1 . 34495 1 230 . 1 . 1 20 20 VAL CG2 C 13 20.829 0.101 . 1 . . . . A 16 VAL CG2 . 34495 1 231 . 1 . 1 20 20 VAL N N 15 126.301 0.007 . 1 . . . . A 16 VAL N . 34495 1 232 . 1 . 1 21 21 GLU H H 1 8.402 0.002 . 1 . . . . A 17 GLU H . 34495 1 233 . 1 . 1 21 21 GLU HA H 1 5.399 0.006 . 1 . . . . A 17 GLU HA . 34495 1 234 . 1 . 1 21 21 GLU HB2 H 1 1.821 0.001 . 2 . . . . A 17 GLU HB2 . 34495 1 235 . 1 . 1 21 21 GLU HB3 H 1 1.892 0.002 . 2 . . . . A 17 GLU HB3 . 34495 1 236 . 1 . 1 21 21 GLU HG2 H 1 2.167 0.006 . 2 . . . . A 17 GLU HG2 . 34495 1 237 . 1 . 1 21 21 GLU HG3 H 1 2.033 0.002 . 2 . . . . A 17 GLU HG3 . 34495 1 238 . 1 . 1 21 21 GLU C C 13 175.726 0.000 . 1 . . . . A 17 GLU C . 34495 1 239 . 1 . 1 21 21 GLU CA C 13 54.270 0.071 . 1 . . . . A 17 GLU CA . 34495 1 240 . 1 . 1 21 21 GLU CB C 13 32.777 0.057 . 1 . . . . A 17 GLU CB . 34495 1 241 . 1 . 1 21 21 GLU CG C 13 36.709 0.026 . 1 . . . . A 17 GLU CG . 34495 1 242 . 1 . 1 21 21 GLU N N 15 124.363 0.008 . 1 . . . . A 17 GLU N . 34495 1 243 . 1 . 1 22 22 ILE H H 1 9.325 0.002 . 1 . . . . A 18 ILE H . 34495 1 244 . 1 . 1 22 22 ILE HA H 1 4.234 0.004 . 1 . . . . A 18 ILE HA . 34495 1 245 . 1 . 1 22 22 ILE HB H 1 1.511 0.000 . 1 . . . . A 18 ILE HB . 34495 1 246 . 1 . 1 22 22 ILE HG12 H 1 0.875 0.004 . 2 . . . . A 18 ILE HG12 . 34495 1 247 . 1 . 1 22 22 ILE HG13 H 1 1.264 0.003 . 2 . . . . A 18 ILE HG13 . 34495 1 248 . 1 . 1 22 22 ILE HG21 H 1 0.822 0.001 . 1 . . . . A 18 ILE HG21 . 34495 1 249 . 1 . 1 22 22 ILE HG22 H 1 0.822 0.001 . 1 . . . . A 18 ILE HG22 . 34495 1 250 . 1 . 1 22 22 ILE HG23 H 1 0.822 0.001 . 1 . . . . A 18 ILE HG23 . 34495 1 251 . 1 . 1 22 22 ILE HD11 H 1 0.573 0.001 . 1 . . . . A 18 ILE HD11 . 34495 1 252 . 1 . 1 22 22 ILE HD12 H 1 0.573 0.001 . 1 . . . . A 18 ILE HD12 . 34495 1 253 . 1 . 1 22 22 ILE HD13 H 1 0.573 0.001 . 1 . . . . A 18 ILE HD13 . 34495 1 254 . 1 . 1 22 22 ILE C C 13 174.902 0.000 . 1 . . . . A 18 ILE C . 34495 1 255 . 1 . 1 22 22 ILE CA C 13 60.499 0.098 . 1 . . . . A 18 ILE CA . 34495 1 256 . 1 . 1 22 22 ILE CB C 13 40.696 0.055 . 1 . . . . A 18 ILE CB . 34495 1 257 . 1 . 1 22 22 ILE CG1 C 13 27.044 0.036 . 1 . . . . A 18 ILE CG1 . 34495 1 258 . 1 . 1 22 22 ILE CG2 C 13 17.545 0.036 . 1 . . . . A 18 ILE CG2 . 34495 1 259 . 1 . 1 22 22 ILE CD1 C 13 13.574 0.025 . 1 . . . . A 18 ILE CD1 . 34495 1 260 . 1 . 1 22 22 ILE N N 15 126.246 0.021 . 1 . . . . A 18 ILE N . 34495 1 261 . 1 . 1 23 23 GLY H H 1 8.485 0.001 . 1 . . . . A 19 GLY H . 34495 1 262 . 1 . 1 23 23 GLY HA2 H 1 4.621 0.004 . 2 . . . . A 19 GLY HA2 . 34495 1 263 . 1 . 1 23 23 GLY HA3 H 1 3.789 0.001 . 2 . . . . A 19 GLY HA3 . 34495 1 264 . 1 . 1 23 23 GLY C C 13 173.073 0.000 . 1 . . . . A 19 GLY C . 34495 1 265 . 1 . 1 23 23 GLY CA C 13 43.908 0.084 . 1 . . . . A 19 GLY CA . 34495 1 266 . 1 . 1 23 23 GLY N N 15 113.039 0.007 . 1 . . . . A 19 GLY N . 34495 1 267 . 1 . 1 24 24 ASP H H 1 8.612 0.001 . 1 . . . . A 20 ASP H . 34495 1 268 . 1 . 1 24 24 ASP HA H 1 4.324 0.003 . 1 . . . . A 20 ASP HA . 34495 1 269 . 1 . 1 24 24 ASP HB2 H 1 2.774 0.002 . 2 . . . . A 20 ASP HB2 . 34495 1 270 . 1 . 1 24 24 ASP HB3 H 1 3.006 0.003 . 2 . . . . A 20 ASP HB3 . 34495 1 271 . 1 . 1 24 24 ASP C C 13 174.886 0.000 . 1 . . . . A 20 ASP C . 34495 1 272 . 1 . 1 24 24 ASP CA C 13 55.386 0.069 . 1 . . . . A 20 ASP CA . 34495 1 273 . 1 . 1 24 24 ASP CB C 13 39.582 0.041 . 1 . . . . A 20 ASP CB . 34495 1 274 . 1 . 1 24 24 ASP N N 15 114.218 0.015 . 1 . . . . A 20 ASP N . 34495 1 275 . 1 . 1 25 25 VAL H H 1 8.152 0.001 . 1 . . . . A 21 VAL H . 34495 1 276 . 1 . 1 25 25 VAL HA H 1 3.634 0.002 . 1 . . . . A 21 VAL HA . 34495 1 277 . 1 . 1 25 25 VAL HB H 1 1.685 0.002 . 1 . . . . A 21 VAL HB . 34495 1 278 . 1 . 1 25 25 VAL HG11 H 1 0.759 0.000 . 2 . . . . A 21 VAL HG11 . 34495 1 279 . 1 . 1 25 25 VAL HG12 H 1 0.759 0.000 . 2 . . . . A 21 VAL HG12 . 34495 1 280 . 1 . 1 25 25 VAL HG13 H 1 0.759 0.000 . 2 . . . . A 21 VAL HG13 . 34495 1 281 . 1 . 1 25 25 VAL HG21 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG21 . 34495 1 282 . 1 . 1 25 25 VAL HG22 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG22 . 34495 1 283 . 1 . 1 25 25 VAL HG23 H 1 0.737 0.001 . 2 . . . . A 21 VAL HG23 . 34495 1 284 . 1 . 1 25 25 VAL C C 13 174.915 0.000 . 1 . . . . A 21 VAL C . 34495 1 285 . 1 . 1 25 25 VAL CA C 13 64.564 0.117 . 1 . . . . A 21 VAL CA . 34495 1 286 . 1 . 1 25 25 VAL CB C 13 32.562 0.031 . 1 . . . . A 21 VAL CB . 34495 1 287 . 1 . 1 25 25 VAL CG1 C 13 23.285 0.022 . 1 . . . . A 21 VAL CG1 . 34495 1 288 . 1 . 1 25 25 VAL CG2 C 13 22.605 0.319 . 1 . . . . A 21 VAL CG2 . 34495 1 289 . 1 . 1 25 25 VAL N N 15 117.036 0.007 . 1 . . . . A 21 VAL N . 34495 1 290 . 1 . 1 26 26 LEU H H 1 8.707 0.010 . 1 . . . . A 22 LEU H . 34495 1 291 . 1 . 1 26 26 LEU HA H 1 4.597 0.004 . 1 . . . . A 22 LEU HA . 34495 1 292 . 1 . 1 26 26 LEU HB2 H 1 1.412 0.005 . 2 . . . . A 22 LEU HB2 . 34495 1 293 . 1 . 1 26 26 LEU HB3 H 1 1.305 0.007 . 2 . . . . A 22 LEU HB3 . 34495 1 294 . 1 . 1 26 26 LEU HG H 1 1.472 0.002 . 1 . . . . A 22 LEU HG . 34495 1 295 . 1 . 1 26 26 LEU HD11 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD11 . 34495 1 296 . 1 . 1 26 26 LEU HD12 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD12 . 34495 1 297 . 1 . 1 26 26 LEU HD13 H 1 0.815 0.001 . 2 . . . . A 22 LEU HD13 . 34495 1 298 . 1 . 1 26 26 LEU HD21 H 1 0.847 0.001 . 2 . . . . A 22 LEU HD21 . 34495 1 299 . 1 . 1 26 26 LEU HD22 H 1 0.847 0.001 . 2 . . . . A 22 LEU HD22 . 34495 1 300 . 1 . 1 26 26 LEU HD23 H 1 0.847 0.001 . 2 . . . . A 22 LEU HD23 . 34495 1 301 . 1 . 1 26 26 LEU C C 13 175.862 0.000 . 1 . . . . A 22 LEU C . 34495 1 302 . 1 . 1 26 26 LEU CA C 13 55.293 0.090 . 1 . . . . A 22 LEU CA . 34495 1 303 . 1 . 1 26 26 LEU CB C 13 45.152 0.038 . 1 . . . . A 22 LEU CB . 34495 1 304 . 1 . 1 26 26 LEU CG C 13 27.081 0.079 . 1 . . . . A 22 LEU CG . 34495 1 305 . 1 . 1 26 26 LEU CD1 C 13 24.104 0.028 . 1 . . . . A 22 LEU CD1 . 34495 1 306 . 1 . 1 26 26 LEU CD2 C 13 25.393 0.050 . 1 . . . . A 22 LEU CD2 . 34495 1 307 . 1 . 1 26 26 LEU N N 15 124.236 0.069 . 1 . . . . A 22 LEU N . 34495 1 308 . 1 . 1 27 27 GLU H H 1 7.723 0.001 . 1 . . . . A 23 GLU H . 34495 1 309 . 1 . 1 27 27 GLU HA H 1 5.281 0.003 . 1 . . . . A 23 GLU HA . 34495 1 310 . 1 . 1 27 27 GLU HB2 H 1 1.934 0.001 . 2 . . . . A 23 GLU HB2 . 34495 1 311 . 1 . 1 27 27 GLU HB3 H 1 2.138 0.004 . 2 . . . . A 23 GLU HB3 . 34495 1 312 . 1 . 1 27 27 GLU HG2 H 1 2.143 0.001 . 2 . . . . A 23 GLU HG2 . 34495 1 313 . 1 . 1 27 27 GLU HG3 H 1 2.250 0.001 . 2 . . . . A 23 GLU HG3 . 34495 1 314 . 1 . 1 27 27 GLU C C 13 173.987 0.000 . 1 . . . . A 23 GLU C . 34495 1 315 . 1 . 1 27 27 GLU CA C 13 55.222 0.117 . 1 . . . . A 23 GLU CA . 34495 1 316 . 1 . 1 27 27 GLU CB C 13 33.687 0.054 . 1 . . . . A 23 GLU CB . 34495 1 317 . 1 . 1 27 27 GLU CG C 13 37.189 0.047 . 1 . . . . A 23 GLU CG . 34495 1 318 . 1 . 1 27 27 GLU N N 15 117.406 0.009 . 1 . . . . A 23 GLU N . 34495 1 319 . 1 . 1 28 28 VAL H H 1 8.655 0.002 . 1 . . . . A 24 VAL H . 34495 1 320 . 1 . 1 28 28 VAL HA H 1 5.052 0.002 . 1 . . . . A 24 VAL HA . 34495 1 321 . 1 . 1 28 28 VAL HB H 1 1.775 0.003 . 1 . . . . A 24 VAL HB . 34495 1 322 . 1 . 1 28 28 VAL HG11 H 1 0.876 0.000 . 2 . . . . A 24 VAL HG11 . 34495 1 323 . 1 . 1 28 28 VAL HG12 H 1 0.876 0.000 . 2 . . . . A 24 VAL HG12 . 34495 1 324 . 1 . 1 28 28 VAL HG13 H 1 0.876 0.000 . 2 . . . . A 24 VAL HG13 . 34495 1 325 . 1 . 1 28 28 VAL HG21 H 1 0.888 0.002 . 2 . . . . A 24 VAL HG21 . 34495 1 326 . 1 . 1 28 28 VAL HG22 H 1 0.888 0.002 . 2 . . . . A 24 VAL HG22 . 34495 1 327 . 1 . 1 28 28 VAL HG23 H 1 0.888 0.002 . 2 . . . . A 24 VAL HG23 . 34495 1 328 . 1 . 1 28 28 VAL C C 13 174.136 0.000 . 1 . . . . A 24 VAL C . 34495 1 329 . 1 . 1 28 28 VAL CA C 13 60.753 0.113 . 1 . . . . A 24 VAL CA . 34495 1 330 . 1 . 1 28 28 VAL CB C 13 35.068 0.064 . 1 . . . . A 24 VAL CB . 34495 1 331 . 1 . 1 28 28 VAL CG1 C 13 23.143 0.021 . 1 . . . . A 24 VAL CG1 . 34495 1 332 . 1 . 1 28 28 VAL CG2 C 13 23.222 0.077 . 1 . . . . A 24 VAL CG2 . 34495 1 333 . 1 . 1 28 28 VAL N N 15 123.133 0.030 . 1 . . . . A 24 VAL N . 34495 1 334 . 1 . 1 29 29 ARG H H 1 9.259 0.001 . 1 . . . . A 25 ARG H . 34495 1 335 . 1 . 1 29 29 ARG HA H 1 5.180 0.001 . 1 . . . . A 25 ARG HA . 34495 1 336 . 1 . 1 29 29 ARG HB2 H 1 1.815 0.002 . 2 . . . . A 25 ARG HB2 . 34495 1 337 . 1 . 1 29 29 ARG HB3 H 1 1.815 0.002 . 2 . . . . A 25 ARG HB3 . 34495 1 338 . 1 . 1 29 29 ARG HG2 H 1 1.508 0.002 . 2 . . . . A 25 ARG HG2 . 34495 1 339 . 1 . 1 29 29 ARG HG3 H 1 1.602 0.002 . 2 . . . . A 25 ARG HG3 . 34495 1 340 . 1 . 1 29 29 ARG HD2 H 1 3.092 0.002 . 2 . . . . A 25 ARG HD2 . 34495 1 341 . 1 . 1 29 29 ARG HD3 H 1 3.191 0.002 . 2 . . . . A 25 ARG HD3 . 34495 1 342 . 1 . 1 29 29 ARG HE H 1 7.494 0.002 . 1 . . . . A 25 ARG HE . 34495 1 343 . 1 . 1 29 29 ARG C C 13 173.326 0.000 . 1 . . . . A 25 ARG C . 34495 1 344 . 1 . 1 29 29 ARG CA C 13 54.877 0.094 . 1 . . . . A 25 ARG CA . 34495 1 345 . 1 . 1 29 29 ARG CB C 13 34.422 0.087 . 1 . . . . A 25 ARG CB . 34495 1 346 . 1 . 1 29 29 ARG CG C 13 27.494 0.086 . 1 . . . . A 25 ARG CG . 34495 1 347 . 1 . 1 29 29 ARG CD C 13 43.576 0.068 . 1 . . . . A 25 ARG CD . 34495 1 348 . 1 . 1 29 29 ARG N N 15 125.350 0.007 . 1 . . . . A 25 ARG N . 34495 1 349 . 1 . 1 29 29 ARG NE N 15 84.187 0.009 . 1 . . . . A 25 ARG NE . 34495 1 350 . 1 . 1 30 30 ALA H H 1 9.059 0.001 . 1 . . . . A 26 ALA H . 34495 1 351 . 1 . 1 30 30 ALA HA H 1 5.253 0.004 . 1 . . . . A 26 ALA HA . 34495 1 352 . 1 . 1 30 30 ALA HB1 H 1 1.498 0.001 . 1 . . . . A 26 ALA HB1 . 34495 1 353 . 1 . 1 30 30 ALA HB2 H 1 1.498 0.001 . 1 . . . . A 26 ALA HB2 . 34495 1 354 . 1 . 1 30 30 ALA HB3 H 1 1.498 0.001 . 1 . . . . A 26 ALA HB3 . 34495 1 355 . 1 . 1 30 30 ALA C C 13 175.832 0.000 . 1 . . . . A 26 ALA C . 34495 1 356 . 1 . 1 30 30 ALA CA C 13 51.127 0.078 . 1 . . . . A 26 ALA CA . 34495 1 357 . 1 . 1 30 30 ALA CB C 13 19.585 0.024 . 1 . . . . A 26 ALA CB . 34495 1 358 . 1 . 1 30 30 ALA N N 15 129.317 0.008 . 1 . . . . A 26 ALA N . 34495 1 359 . 1 . 1 31 31 GLU H H 1 8.591 0.001 . 1 . . . . A 27 GLU H . 34495 1 360 . 1 . 1 31 31 GLU HA H 1 4.616 0.002 . 1 . . . . A 27 GLU HA . 34495 1 361 . 1 . 1 31 31 GLU HB2 H 1 1.973 0.002 . 2 . . . . A 27 GLU HB2 . 34495 1 362 . 1 . 1 31 31 GLU HB3 H 1 1.973 0.002 . 2 . . . . A 27 GLU HB3 . 34495 1 363 . 1 . 1 31 31 GLU HG2 H 1 2.136 0.003 . 2 . . . . A 27 GLU HG2 . 34495 1 364 . 1 . 1 31 31 GLU HG3 H 1 2.136 0.003 . 2 . . . . A 27 GLU HG3 . 34495 1 365 . 1 . 1 31 31 GLU C C 13 176.903 0.000 . 1 . . . . A 27 GLU C . 34495 1 366 . 1 . 1 31 31 GLU CA C 13 55.818 0.040 . 1 . . . . A 27 GLU CA . 34495 1 367 . 1 . 1 31 31 GLU CB C 13 32.575 0.030 . 1 . . . . A 27 GLU CB . 34495 1 368 . 1 . 1 31 31 GLU CG C 13 35.789 0.033 . 1 . . . . A 27 GLU CG . 34495 1 369 . 1 . 1 31 31 GLU N N 15 122.729 0.005 . 1 . . . . A 27 GLU N . 34495 1 370 . 1 . 1 32 32 GLY H H 1 9.252 0.001 . 1 . . . . A 28 GLY H . 34495 1 371 . 1 . 1 32 32 GLY HA2 H 1 3.897 0.001 . 2 . . . . A 28 GLY HA2 . 34495 1 372 . 1 . 1 32 32 GLY HA3 H 1 3.897 0.001 . 2 . . . . A 28 GLY HA3 . 34495 1 373 . 1 . 1 32 32 GLY C C 13 175.490 0.000 . 1 . . . . A 28 GLY C . 34495 1 374 . 1 . 1 32 32 GLY CA C 13 47.221 0.069 . 1 . . . . A 28 GLY CA . 34495 1 375 . 1 . 1 32 32 GLY N N 15 114.120 0.003 . 1 . . . . A 28 GLY N . 34495 1 376 . 1 . 1 33 33 GLY H H 1 9.043 0.001 . 1 . . . . A 29 GLY H . 34495 1 377 . 1 . 1 33 33 GLY HA2 H 1 3.857 0.004 . 2 . . . . A 29 GLY HA2 . 34495 1 378 . 1 . 1 33 33 GLY HA3 H 1 4.129 0.000 . 2 . . . . A 29 GLY HA3 . 34495 1 379 . 1 . 1 33 33 GLY C C 13 173.583 0.000 . 1 . . . . A 29 GLY C . 34495 1 380 . 1 . 1 33 33 GLY CA C 13 45.501 0.050 . 1 . . . . A 29 GLY CA . 34495 1 381 . 1 . 1 33 33 GLY N N 15 108.748 0.009 . 1 . . . . A 29 GLY N . 34495 1 382 . 1 . 1 34 34 ALA H H 1 7.679 0.001 . 1 . . . . A 30 ALA H . 34495 1 383 . 1 . 1 34 34 ALA HA H 1 5.070 0.001 . 1 . . . . A 30 ALA HA . 34495 1 384 . 1 . 1 34 34 ALA HB1 H 1 1.260 0.000 . 1 . . . . A 30 ALA HB1 . 34495 1 385 . 1 . 1 34 34 ALA HB2 H 1 1.260 0.000 . 1 . . . . A 30 ALA HB2 . 34495 1 386 . 1 . 1 34 34 ALA HB3 H 1 1.260 0.000 . 1 . . . . A 30 ALA HB3 . 34495 1 387 . 1 . 1 34 34 ALA C C 13 176.009 0.000 . 1 . . . . A 30 ALA C . 34495 1 388 . 1 . 1 34 34 ALA CA C 13 50.878 0.070 . 1 . . . . A 30 ALA CA . 34495 1 389 . 1 . 1 34 34 ALA CB C 13 22.608 0.026 . 1 . . . . A 30 ALA CB . 34495 1 390 . 1 . 1 34 34 ALA N N 15 121.388 0.004 . 1 . . . . A 30 ALA N . 34495 1 391 . 1 . 1 35 35 VAL H H 1 7.766 0.002 . 1 . . . . A 31 VAL H . 34495 1 392 . 1 . 1 35 35 VAL HA H 1 4.966 0.007 . 1 . . . . A 31 VAL HA . 34495 1 393 . 1 . 1 35 35 VAL HB H 1 1.835 0.001 . 1 . . . . A 31 VAL HB . 34495 1 394 . 1 . 1 35 35 VAL HG11 H 1 0.816 0.003 . 2 . . . . A 31 VAL HG11 . 34495 1 395 . 1 . 1 35 35 VAL HG12 H 1 0.816 0.003 . 2 . . . . A 31 VAL HG12 . 34495 1 396 . 1 . 1 35 35 VAL HG13 H 1 0.816 0.003 . 2 . . . . A 31 VAL HG13 . 34495 1 397 . 1 . 1 35 35 VAL HG21 H 1 0.819 0.001 . 2 . . . . A 31 VAL HG21 . 34495 1 398 . 1 . 1 35 35 VAL HG22 H 1 0.819 0.001 . 2 . . . . A 31 VAL HG22 . 34495 1 399 . 1 . 1 35 35 VAL HG23 H 1 0.819 0.001 . 2 . . . . A 31 VAL HG23 . 34495 1 400 . 1 . 1 35 35 VAL C C 13 175.064 0.000 . 1 . . . . A 31 VAL C . 34495 1 401 . 1 . 1 35 35 VAL CA C 13 61.189 0.111 . 1 . . . . A 31 VAL CA . 34495 1 402 . 1 . 1 35 35 VAL CB C 13 33.787 0.041 . 1 . . . . A 31 VAL CB . 34495 1 403 . 1 . 1 35 35 VAL CG1 C 13 23.131 0.057 . 1 . . . . A 31 VAL CG1 . 34495 1 404 . 1 . 1 35 35 VAL CG2 C 13 22.187 0.050 . 1 . . . . A 31 VAL CG2 . 34495 1 405 . 1 . 1 35 35 VAL N N 15 117.995 0.010 . 1 . . . . A 31 VAL N . 34495 1 406 . 1 . 1 36 36 ARG H H 1 9.550 0.001 . 1 . . . . A 32 ARG H . 34495 1 407 . 1 . 1 36 36 ARG HA H 1 5.332 0.003 . 1 . . . . A 32 ARG HA . 34495 1 408 . 1 . 1 36 36 ARG HB2 H 1 1.660 0.001 . 2 . . . . A 32 ARG HB2 . 34495 1 409 . 1 . 1 36 36 ARG HB3 H 1 1.769 0.001 . 2 . . . . A 32 ARG HB3 . 34495 1 410 . 1 . 1 36 36 ARG HG2 H 1 1.430 0.005 . 2 . . . . A 32 ARG HG2 . 34495 1 411 . 1 . 1 36 36 ARG HG3 H 1 1.570 0.002 . 2 . . . . A 32 ARG HG3 . 34495 1 412 . 1 . 1 36 36 ARG HD2 H 1 3.092 0.003 . 2 . . . . A 32 ARG HD2 . 34495 1 413 . 1 . 1 36 36 ARG HD3 H 1 3.092 0.003 . 2 . . . . A 32 ARG HD3 . 34495 1 414 . 1 . 1 36 36 ARG HE H 1 7.449 0.002 . 1 . . . . A 32 ARG HE . 34495 1 415 . 1 . 1 36 36 ARG C C 13 175.920 0.000 . 1 . . . . A 32 ARG C . 34495 1 416 . 1 . 1 36 36 ARG CA C 13 54.683 0.094 . 1 . . . . A 32 ARG CA . 34495 1 417 . 1 . 1 36 36 ARG CB C 13 32.443 0.041 . 1 . . . . A 32 ARG CB . 34495 1 418 . 1 . 1 36 36 ARG CG C 13 27.951 0.040 . 1 . . . . A 32 ARG CG . 34495 1 419 . 1 . 1 36 36 ARG CD C 13 43.192 0.023 . 1 . . . . A 32 ARG CD . 34495 1 420 . 1 . 1 36 36 ARG N N 15 127.052 0.010 . 1 . . . . A 32 ARG N . 34495 1 421 . 1 . 1 36 36 ARG NE N 15 84.172 0.003 . 1 . . . . A 32 ARG NE . 34495 1 422 . 1 . 1 37 37 VAL H H 1 9.432 0.001 . 1 . . . . A 33 VAL H . 34495 1 423 . 1 . 1 37 37 VAL HA H 1 4.834 0.000 . 1 . . . . A 33 VAL HA . 34495 1 424 . 1 . 1 37 37 VAL HB H 1 2.276 0.003 . 1 . . . . A 33 VAL HB . 34495 1 425 . 1 . 1 37 37 VAL HG11 H 1 1.133 0.001 . 2 . . . . A 33 VAL HG11 . 34495 1 426 . 1 . 1 37 37 VAL HG12 H 1 1.133 0.001 . 2 . . . . A 33 VAL HG12 . 34495 1 427 . 1 . 1 37 37 VAL HG13 H 1 1.133 0.001 . 2 . . . . A 33 VAL HG13 . 34495 1 428 . 1 . 1 37 37 VAL HG21 H 1 1.044 0.001 . 2 . . . . A 33 VAL HG21 . 34495 1 429 . 1 . 1 37 37 VAL HG22 H 1 1.044 0.001 . 2 . . . . A 33 VAL HG22 . 34495 1 430 . 1 . 1 37 37 VAL HG23 H 1 1.044 0.001 . 2 . . . . A 33 VAL HG23 . 34495 1 431 . 1 . 1 37 37 VAL C C 13 174.546 0.000 . 1 . . . . A 33 VAL C . 34495 1 432 . 1 . 1 37 37 VAL CA C 13 61.428 0.179 . 1 . . . . A 33 VAL CA . 34495 1 433 . 1 . 1 37 37 VAL CB C 13 35.251 0.054 . 1 . . . . A 33 VAL CB . 34495 1 434 . 1 . 1 37 37 VAL CG1 C 13 22.053 0.047 . 1 . . . . A 33 VAL CG1 . 34495 1 435 . 1 . 1 37 37 VAL CG2 C 13 22.790 0.051 . 1 . . . . A 33 VAL CG2 . 34495 1 436 . 1 . 1 37 37 VAL N N 15 126.531 0.009 . 1 . . . . A 33 VAL N . 34495 1 437 . 1 . 1 38 38 THR H H 1 9.255 0.002 . 1 . . . . A 34 THR H . 34495 1 438 . 1 . 1 38 38 THR HA H 1 5.347 0.002 . 1 . . . . A 34 THR HA . 34495 1 439 . 1 . 1 38 38 THR HB H 1 4.038 0.002 . 1 . . . . A 34 THR HB . 34495 1 440 . 1 . 1 38 38 THR HG21 H 1 1.368 0.000 . 1 . . . . A 34 THR HG21 . 34495 1 441 . 1 . 1 38 38 THR HG22 H 1 1.368 0.000 . 1 . . . . A 34 THR HG22 . 34495 1 442 . 1 . 1 38 38 THR HG23 H 1 1.368 0.000 . 1 . . . . A 34 THR HG23 . 34495 1 443 . 1 . 1 38 38 THR C C 13 175.423 0.000 . 1 . . . . A 34 THR C . 34495 1 444 . 1 . 1 38 38 THR CA C 13 61.933 0.098 . 1 . . . . A 34 THR CA . 34495 1 445 . 1 . 1 38 38 THR CB C 13 70.421 0.071 . 1 . . . . A 34 THR CB . 34495 1 446 . 1 . 1 38 38 THR CG2 C 13 21.753 0.059 . 1 . . . . A 34 THR CG2 . 34495 1 447 . 1 . 1 38 38 THR N N 15 124.692 0.016 . 1 . . . . A 34 THR N . 34495 1 448 . 1 . 1 39 39 THR H H 1 9.092 0.002 . 1 . . . . A 35 THR H . 34495 1 449 . 1 . 1 39 39 THR HA H 1 5.289 0.001 . 1 . . . . A 35 THR HA . 34495 1 450 . 1 . 1 39 39 THR HB H 1 4.760 0.000 . 1 . . . . A 35 THR HB . 34495 1 451 . 1 . 1 39 39 THR HG21 H 1 1.303 0.001 . 1 . . . . A 35 THR HG21 . 34495 1 452 . 1 . 1 39 39 THR HG22 H 1 1.303 0.001 . 1 . . . . A 35 THR HG22 . 34495 1 453 . 1 . 1 39 39 THR HG23 H 1 1.303 0.001 . 1 . . . . A 35 THR HG23 . 34495 1 454 . 1 . 1 39 39 THR C C 13 175.405 0.000 . 1 . . . . A 35 THR C . 34495 1 455 . 1 . 1 39 39 THR CA C 13 60.050 0.105 . 1 . . . . A 35 THR CA . 34495 1 456 . 1 . 1 39 39 THR CB C 13 72.465 0.132 . 1 . . . . A 35 THR CB . 34495 1 457 . 1 . 1 39 39 THR CG2 C 13 21.798 0.040 . 1 . . . . A 35 THR CG2 . 34495 1 458 . 1 . 1 39 39 THR N N 15 118.130 0.006 . 1 . . . . A 35 THR N . 34495 1 459 . 1 . 1 40 40 LEU H H 1 8.604 0.002 . 1 . . . . A 36 LEU H . 34495 1 460 . 1 . 1 40 40 LEU HA H 1 3.930 0.001 . 1 . . . . A 36 LEU HA . 34495 1 461 . 1 . 1 40 40 LEU HB2 H 1 1.067 0.001 . 2 . . . . A 36 LEU HB2 . 34495 1 462 . 1 . 1 40 40 LEU HB3 H 1 1.274 0.000 . 2 . . . . A 36 LEU HB3 . 34495 1 463 . 1 . 1 40 40 LEU HG H 1 1.050 0.003 . 1 . . . . A 36 LEU HG . 34495 1 464 . 1 . 1 40 40 LEU HD11 H 1 0.764 0.000 . 2 . . . . A 36 LEU HD11 . 34495 1 465 . 1 . 1 40 40 LEU HD12 H 1 0.764 0.000 . 2 . . . . A 36 LEU HD12 . 34495 1 466 . 1 . 1 40 40 LEU HD13 H 1 0.764 0.000 . 2 . . . . A 36 LEU HD13 . 34495 1 467 . 1 . 1 40 40 LEU HD21 H 1 0.692 0.000 . 2 . . . . A 36 LEU HD21 . 34495 1 468 . 1 . 1 40 40 LEU HD22 H 1 0.692 0.000 . 2 . . . . A 36 LEU HD22 . 34495 1 469 . 1 . 1 40 40 LEU HD23 H 1 0.692 0.000 . 2 . . . . A 36 LEU HD23 . 34495 1 470 . 1 . 1 40 40 LEU C C 13 176.382 0.000 . 1 . . . . A 36 LEU C . 34495 1 471 . 1 . 1 40 40 LEU CA C 13 56.902 0.082 . 1 . . . . A 36 LEU CA . 34495 1 472 . 1 . 1 40 40 LEU CB C 13 43.396 0.081 . 1 . . . . A 36 LEU CB . 34495 1 473 . 1 . 1 40 40 LEU CG C 13 26.640 0.066 . 1 . . . . A 36 LEU CG . 34495 1 474 . 1 . 1 40 40 LEU CD1 C 13 23.990 0.017 . 1 . . . . A 36 LEU CD1 . 34495 1 475 . 1 . 1 40 40 LEU CD2 C 13 24.993 0.049 . 1 . . . . A 36 LEU CD2 . 34495 1 476 . 1 . 1 40 40 LEU N N 15 119.107 0.025 . 1 . . . . A 36 LEU N . 34495 1 477 . 1 . 1 41 41 PHE H H 1 7.749 0.003 . 1 . . . . A 37 PHE H . 34495 1 478 . 1 . 1 41 41 PHE HA H 1 4.755 0.003 . 1 . . . . A 37 PHE HA . 34495 1 479 . 1 . 1 41 41 PHE HB2 H 1 3.499 0.002 . 2 . . . . A 37 PHE HB2 . 34495 1 480 . 1 . 1 41 41 PHE HB3 H 1 2.859 0.004 . 2 . . . . A 37 PHE HB3 . 34495 1 481 . 1 . 1 41 41 PHE HD1 H 1 7.296 0.000 . 1 . . . . A 37 PHE HD1 . 34495 1 482 . 1 . 1 41 41 PHE HD2 H 1 7.296 0.000 . 1 . . . . A 37 PHE HD2 . 34495 1 483 . 1 . 1 41 41 PHE HE1 H 1 7.397 0.000 . 1 . . . . A 37 PHE HE1 . 34495 1 484 . 1 . 1 41 41 PHE HE2 H 1 7.397 0.000 . 1 . . . . A 37 PHE HE2 . 34495 1 485 . 1 . 1 41 41 PHE HZ H 1 7.299 0.000 . 1 . . . . A 37 PHE HZ . 34495 1 486 . 1 . 1 41 41 PHE C C 13 174.771 0.000 . 1 . . . . A 37 PHE C . 34495 1 487 . 1 . 1 41 41 PHE CA C 13 57.020 0.176 . 1 . . . . A 37 PHE CA . 34495 1 488 . 1 . 1 41 41 PHE CB C 13 38.169 0.034 . 1 . . . . A 37 PHE CB . 34495 1 489 . 1 . 1 41 41 PHE CD1 C 13 131.635 0.000 . 1 . . . . A 37 PHE CD1 . 34495 1 490 . 1 . 1 41 41 PHE CE1 C 13 131.642 0.000 . 1 . . . . A 37 PHE CE1 . 34495 1 491 . 1 . 1 41 41 PHE CZ C 13 129.833 0.000 . 1 . . . . A 37 PHE CZ . 34495 1 492 . 1 . 1 41 41 PHE N N 15 115.086 0.006 . 1 . . . . A 37 PHE N . 34495 1 493 . 1 . 1 42 42 ASP H H 1 7.999 0.002 . 1 . . . . A 38 ASP H . 34495 1 494 . 1 . 1 42 42 ASP HA H 1 4.430 0.004 . 1 . . . . A 38 ASP HA . 34495 1 495 . 1 . 1 42 42 ASP HB2 H 1 2.786 0.003 . 2 . . . . A 38 ASP HB2 . 34495 1 496 . 1 . 1 42 42 ASP HB3 H 1 2.960 0.003 . 2 . . . . A 38 ASP HB3 . 34495 1 497 . 1 . 1 42 42 ASP C C 13 175.090 0.000 . 1 . . . . A 38 ASP C . 34495 1 498 . 1 . 1 42 42 ASP CA C 13 55.229 0.068 . 1 . . . . A 38 ASP CA . 34495 1 499 . 1 . 1 42 42 ASP CB C 13 39.758 0.034 . 1 . . . . A 38 ASP CB . 34495 1 500 . 1 . 1 42 42 ASP N N 15 116.022 0.017 . 1 . . . . A 38 ASP N . 34495 1 501 . 1 . 1 43 43 GLU H H 1 7.456 0.002 . 1 . . . . A 39 GLU H . 34495 1 502 . 1 . 1 43 43 GLU HA H 1 4.392 0.001 . 1 . . . . A 39 GLU HA . 34495 1 503 . 1 . 1 43 43 GLU HB2 H 1 1.906 0.000 . 2 . . . . A 39 GLU HB2 . 34495 1 504 . 1 . 1 43 43 GLU HB3 H 1 1.969 0.001 . 2 . . . . A 39 GLU HB3 . 34495 1 505 . 1 . 1 43 43 GLU HG2 H 1 2.224 0.004 . 2 . . . . A 39 GLU HG2 . 34495 1 506 . 1 . 1 43 43 GLU HG3 H 1 2.101 0.002 . 2 . . . . A 39 GLU HG3 . 34495 1 507 . 1 . 1 43 43 GLU C C 13 175.267 0.000 . 1 . . . . A 39 GLU C . 34495 1 508 . 1 . 1 43 43 GLU CA C 13 55.731 0.120 . 1 . . . . A 39 GLU CA . 34495 1 509 . 1 . 1 43 43 GLU CB C 13 30.973 0.041 . 1 . . . . A 39 GLU CB . 34495 1 510 . 1 . 1 43 43 GLU CG C 13 36.347 0.031 . 1 . . . . A 39 GLU CG . 34495 1 511 . 1 . 1 43 43 GLU N N 15 117.954 0.008 . 1 . . . . A 39 GLU N . 34495 1 512 . 1 . 1 44 44 GLU H H 1 8.441 0.005 . 1 . . . . A 40 GLU H . 34495 1 513 . 1 . 1 44 44 GLU HA H 1 5.156 0.002 . 1 . . . . A 40 GLU HA . 34495 1 514 . 1 . 1 44 44 GLU HB2 H 1 1.855 0.002 . 2 . . . . A 40 GLU HB2 . 34495 1 515 . 1 . 1 44 44 GLU HB3 H 1 1.855 0.002 . 2 . . . . A 40 GLU HB3 . 34495 1 516 . 1 . 1 44 44 GLU HG2 H 1 2.039 0.002 . 2 . . . . A 40 GLU HG2 . 34495 1 517 . 1 . 1 44 44 GLU HG3 H 1 2.150 0.000 . 2 . . . . A 40 GLU HG3 . 34495 1 518 . 1 . 1 44 44 GLU C C 13 175.785 0.000 . 1 . . . . A 40 GLU C . 34495 1 519 . 1 . 1 44 44 GLU CA C 13 55.278 0.108 . 1 . . . . A 40 GLU CA . 34495 1 520 . 1 . 1 44 44 GLU CB C 13 32.386 0.060 . 1 . . . . A 40 GLU CB . 34495 1 521 . 1 . 1 44 44 GLU CG C 13 36.840 0.028 . 1 . . . . A 40 GLU CG . 34495 1 522 . 1 . 1 44 44 GLU N N 15 122.732 0.045 . 1 . . . . A 40 GLU N . 34495 1 523 . 1 . 1 45 45 HIS H H 1 8.856 0.001 . 1 . . . . A 41 HIS H . 34495 1 524 . 1 . 1 45 45 HIS HA H 1 4.655 0.005 . 1 . . . . A 41 HIS HA . 34495 1 525 . 1 . 1 45 45 HIS HB2 H 1 2.830 0.002 . 2 . . . . A 41 HIS HB2 . 34495 1 526 . 1 . 1 45 45 HIS HB3 H 1 2.830 0.002 . 2 . . . . A 41 HIS HB3 . 34495 1 527 . 1 . 1 45 45 HIS HD2 H 1 6.747 0.001 . 1 . . . . A 41 HIS HD2 . 34495 1 528 . 1 . 1 45 45 HIS HE1 H 1 8.247 0.000 . 1 . . . . A 41 HIS HE1 . 34495 1 529 . 1 . 1 45 45 HIS C C 13 173.217 0.000 . 1 . . . . A 41 HIS C . 34495 1 530 . 1 . 1 45 45 HIS CA C 13 54.419 0.103 . 1 . . . . A 41 HIS CA . 34495 1 531 . 1 . 1 45 45 HIS CB C 13 33.160 0.066 . 1 . . . . A 41 HIS CB . 34495 1 532 . 1 . 1 45 45 HIS CD2 C 13 118.603 0.000 . 1 . . . . A 41 HIS CD2 . 34495 1 533 . 1 . 1 45 45 HIS CE1 C 13 138.065 0.000 . 1 . . . . A 41 HIS CE1 . 34495 1 534 . 1 . 1 45 45 HIS N N 15 122.839 0.006 . 1 . . . . A 41 HIS N . 34495 1 535 . 1 . 1 45 45 HIS ND1 N 15 205.120 0.000 . 1 . . . . A 41 HIS ND1 . 34495 1 536 . 1 . 1 45 45 HIS NE2 N 15 174.696 0.032 . 1 . . . . A 41 HIS NE2 . 34495 1 537 . 1 . 1 46 46 ALA H H 1 8.610 0.001 . 1 . . . . A 42 ALA H . 34495 1 538 . 1 . 1 46 46 ALA HA H 1 5.184 0.003 . 1 . . . . A 42 ALA HA . 34495 1 539 . 1 . 1 46 46 ALA HB1 H 1 1.196 0.001 . 1 . . . . A 42 ALA HB1 . 34495 1 540 . 1 . 1 46 46 ALA HB2 H 1 1.196 0.001 . 1 . . . . A 42 ALA HB2 . 34495 1 541 . 1 . 1 46 46 ALA HB3 H 1 1.196 0.001 . 1 . . . . A 42 ALA HB3 . 34495 1 542 . 1 . 1 46 46 ALA C C 13 176.366 0.000 . 1 . . . . A 42 ALA C . 34495 1 543 . 1 . 1 46 46 ALA CA C 13 50.915 0.067 . 1 . . . . A 42 ALA CA . 34495 1 544 . 1 . 1 46 46 ALA CB C 13 21.259 0.038 . 1 . . . . A 42 ALA CB . 34495 1 545 . 1 . 1 46 46 ALA N N 15 126.269 0.021 . 1 . . . . A 42 ALA N . 34495 1 546 . 1 . 1 47 47 PHE H H 1 9.187 0.001 . 1 . . . . A 43 PHE H . 34495 1 547 . 1 . 1 47 47 PHE HA H 1 5.068 0.003 . 1 . . . . A 43 PHE HA . 34495 1 548 . 1 . 1 47 47 PHE HB2 H 1 2.805 0.005 . 2 . . . . A 43 PHE HB2 . 34495 1 549 . 1 . 1 47 47 PHE HB3 H 1 3.052 0.001 . 2 . . . . A 43 PHE HB3 . 34495 1 550 . 1 . 1 47 47 PHE HD1 H 1 7.114 0.000 . 1 . . . . A 43 PHE HD1 . 34495 1 551 . 1 . 1 47 47 PHE HD2 H 1 7.114 0.000 . 1 . . . . A 43 PHE HD2 . 34495 1 552 . 1 . 1 47 47 PHE HE1 H 1 7.015 0.000 . 1 . . . . A 43 PHE HE1 . 34495 1 553 . 1 . 1 47 47 PHE HE2 H 1 7.015 0.000 . 1 . . . . A 43 PHE HE2 . 34495 1 554 . 1 . 1 47 47 PHE HZ H 1 7.016 0.000 . 1 . . . . A 43 PHE HZ . 34495 1 555 . 1 . 1 47 47 PHE CA C 13 54.947 0.063 . 1 . . . . A 43 PHE CA . 34495 1 556 . 1 . 1 47 47 PHE CB C 13 40.976 0.047 . 1 . . . . A 43 PHE CB . 34495 1 557 . 1 . 1 47 47 PHE CD1 C 13 132.197 0.000 . 1 . . . . A 43 PHE CD1 . 34495 1 558 . 1 . 1 47 47 PHE CE1 C 13 130.649 0.000 . 1 . . . . A 43 PHE CE1 . 34495 1 559 . 1 . 1 47 47 PHE CZ C 13 129.057 0.000 . 1 . . . . A 43 PHE CZ . 34495 1 560 . 1 . 1 47 47 PHE N N 15 119.956 0.007 . 1 . . . . A 43 PHE N . 34495 1 561 . 1 . 1 48 48 PRO HA H 1 4.658 0.004 . 1 . . . . A 44 PRO HA . 34495 1 562 . 1 . 1 48 48 PRO HB2 H 1 2.028 0.001 . 2 . . . . A 44 PRO HB2 . 34495 1 563 . 1 . 1 48 48 PRO HB3 H 1 2.416 0.001 . 2 . . . . A 44 PRO HB3 . 34495 1 564 . 1 . 1 48 48 PRO HG2 H 1 2.179 0.002 . 2 . . . . A 44 PRO HG2 . 34495 1 565 . 1 . 1 48 48 PRO HG3 H 1 1.987 0.001 . 2 . . . . A 44 PRO HG3 . 34495 1 566 . 1 . 1 48 48 PRO HD2 H 1 3.648 0.000 . 2 . . . . A 44 PRO HD2 . 34495 1 567 . 1 . 1 48 48 PRO HD3 H 1 3.917 0.002 . 2 . . . . A 44 PRO HD3 . 34495 1 568 . 1 . 1 48 48 PRO C C 13 178.187 0.000 . 1 . . . . A 44 PRO C . 34495 1 569 . 1 . 1 48 48 PRO CA C 13 63.133 0.087 . 1 . . . . A 44 PRO CA . 34495 1 570 . 1 . 1 48 48 PRO CB C 13 32.398 0.024 . 1 . . . . A 44 PRO CB . 34495 1 571 . 1 . 1 48 48 PRO CG C 13 27.467 0.052 . 1 . . . . A 44 PRO CG . 34495 1 572 . 1 . 1 48 48 PRO CD C 13 51.267 0.048 . 1 . . . . A 44 PRO CD . 34495 1 573 . 1 . 1 49 49 GLY H H 1 8.863 0.001 . 1 . . . . A 45 GLY H . 34495 1 574 . 1 . 1 49 49 GLY HA2 H 1 4.172 0.001 . 2 . . . . A 45 GLY HA2 . 34495 1 575 . 1 . 1 49 49 GLY HA3 H 1 3.904 0.002 . 2 . . . . A 45 GLY HA3 . 34495 1 576 . 1 . 1 49 49 GLY C C 13 173.591 0.000 . 1 . . . . A 45 GLY C . 34495 1 577 . 1 . 1 49 49 GLY CA C 13 46.348 0.072 . 1 . . . . A 45 GLY CA . 34495 1 578 . 1 . 1 49 49 GLY N N 15 110.281 0.007 . 1 . . . . A 45 GLY N . 34495 1 579 . 1 . 1 50 50 LEU H H 1 6.882 0.003 . 1 . . . . A 46 LEU H . 34495 1 580 . 1 . 1 50 50 LEU HA H 1 5.188 0.003 . 1 . . . . A 46 LEU HA . 34495 1 581 . 1 . 1 50 50 LEU HB2 H 1 1.457 0.003 . 2 . . . . A 46 LEU HB2 . 34495 1 582 . 1 . 1 50 50 LEU HB3 H 1 1.628 0.001 . 2 . . . . A 46 LEU HB3 . 34495 1 583 . 1 . 1 50 50 LEU HG H 1 1.573 0.003 . 1 . . . . A 46 LEU HG . 34495 1 584 . 1 . 1 50 50 LEU HD11 H 1 0.742 0.000 . 2 . . . . A 46 LEU HD11 . 34495 1 585 . 1 . 1 50 50 LEU HD12 H 1 0.742 0.000 . 2 . . . . A 46 LEU HD12 . 34495 1 586 . 1 . 1 50 50 LEU HD13 H 1 0.742 0.000 . 2 . . . . A 46 LEU HD13 . 34495 1 587 . 1 . 1 50 50 LEU HD21 H 1 0.700 0.001 . 2 . . . . A 46 LEU HD21 . 34495 1 588 . 1 . 1 50 50 LEU HD22 H 1 0.700 0.001 . 2 . . . . A 46 LEU HD22 . 34495 1 589 . 1 . 1 50 50 LEU HD23 H 1 0.700 0.001 . 2 . . . . A 46 LEU HD23 . 34495 1 590 . 1 . 1 50 50 LEU C C 13 174.062 0.000 . 1 . . . . A 46 LEU C . 34495 1 591 . 1 . 1 50 50 LEU CA C 13 53.115 0.068 . 1 . . . . A 46 LEU CA . 34495 1 592 . 1 . 1 50 50 LEU CB C 13 43.942 0.037 . 1 . . . . A 46 LEU CB . 34495 1 593 . 1 . 1 50 50 LEU CG C 13 27.416 0.129 . 1 . . . . A 46 LEU CG . 34495 1 594 . 1 . 1 50 50 LEU CD1 C 13 22.701 0.019 . 1 . . . . A 46 LEU CD1 . 34495 1 595 . 1 . 1 50 50 LEU CD2 C 13 28.209 0.032 . 1 . . . . A 46 LEU CD2 . 34495 1 596 . 1 . 1 50 50 LEU N N 15 117.215 0.007 . 1 . . . . A 46 LEU N . 34495 1 597 . 1 . 1 51 51 ALA H H 1 9.090 0.001 . 1 . . . . A 47 ALA H . 34495 1 598 . 1 . 1 51 51 ALA HA H 1 4.351 0.002 . 1 . . . . A 47 ALA HA . 34495 1 599 . 1 . 1 51 51 ALA HB1 H 1 1.184 0.000 . 1 . . . . A 47 ALA HB1 . 34495 1 600 . 1 . 1 51 51 ALA HB2 H 1 1.184 0.000 . 1 . . . . A 47 ALA HB2 . 34495 1 601 . 1 . 1 51 51 ALA HB3 H 1 1.184 0.000 . 1 . . . . A 47 ALA HB3 . 34495 1 602 . 1 . 1 51 51 ALA C C 13 176.070 0.000 . 1 . . . . A 47 ALA C . 34495 1 603 . 1 . 1 51 51 ALA CA C 13 49.971 0.061 . 1 . . . . A 47 ALA CA . 34495 1 604 . 1 . 1 51 51 ALA CB C 13 22.381 0.028 . 1 . . . . A 47 ALA CB . 34495 1 605 . 1 . 1 51 51 ALA N N 15 120.276 0.008 . 1 . . . . A 47 ALA N . 34495 1 606 . 1 . 1 52 52 ILE H H 1 8.784 0.001 . 1 . . . . A 48 ILE H . 34495 1 607 . 1 . 1 52 52 ILE HA H 1 3.941 0.003 . 1 . . . . A 48 ILE HA . 34495 1 608 . 1 . 1 52 52 ILE HB H 1 1.765 0.003 . 1 . . . . A 48 ILE HB . 34495 1 609 . 1 . 1 52 52 ILE HG12 H 1 0.467 0.003 . 2 . . . . A 48 ILE HG12 . 34495 1 610 . 1 . 1 52 52 ILE HG13 H 1 1.620 0.000 . 2 . . . . A 48 ILE HG13 . 34495 1 611 . 1 . 1 52 52 ILE HG21 H 1 0.562 0.000 . 1 . . . . A 48 ILE HG21 . 34495 1 612 . 1 . 1 52 52 ILE HG22 H 1 0.562 0.000 . 1 . . . . A 48 ILE HG22 . 34495 1 613 . 1 . 1 52 52 ILE HG23 H 1 0.562 0.000 . 1 . . . . A 48 ILE HG23 . 34495 1 614 . 1 . 1 52 52 ILE HD11 H 1 0.607 0.000 . 1 . . . . A 48 ILE HD11 . 34495 1 615 . 1 . 1 52 52 ILE HD12 H 1 0.607 0.000 . 1 . . . . A 48 ILE HD12 . 34495 1 616 . 1 . 1 52 52 ILE HD13 H 1 0.607 0.000 . 1 . . . . A 48 ILE HD13 . 34495 1 617 . 1 . 1 52 52 ILE C C 13 174.781 0.000 . 1 . . . . A 48 ILE C . 34495 1 618 . 1 . 1 52 52 ILE CA C 13 62.573 0.088 . 1 . . . . A 48 ILE CA . 34495 1 619 . 1 . 1 52 52 ILE CB C 13 37.407 0.054 . 1 . . . . A 48 ILE CB . 34495 1 620 . 1 . 1 52 52 ILE CG1 C 13 27.833 0.085 . 1 . . . . A 48 ILE CG1 . 34495 1 621 . 1 . 1 52 52 ILE CG2 C 13 18.102 0.031 . 1 . . . . A 48 ILE CG2 . 34495 1 622 . 1 . 1 52 52 ILE CD1 C 13 13.748 0.015 . 1 . . . . A 48 ILE CD1 . 34495 1 623 . 1 . 1 52 52 ILE N N 15 119.889 0.008 . 1 . . . . A 48 ILE N . 34495 1 624 . 1 . 1 53 53 GLY H H 1 8.923 0.003 . 1 . . . . A 49 GLY H . 34495 1 625 . 1 . 1 53 53 GLY HA2 H 1 3.643 0.002 . 2 . . . . A 49 GLY HA2 . 34495 1 626 . 1 . 1 53 53 GLY HA3 H 1 4.344 0.000 . 2 . . . . A 49 GLY HA3 . 34495 1 627 . 1 . 1 53 53 GLY C C 13 173.410 0.000 . 1 . . . . A 49 GLY C . 34495 1 628 . 1 . 1 53 53 GLY CA C 13 47.013 0.056 . 1 . . . . A 49 GLY CA . 34495 1 629 . 1 . 1 53 53 GLY N N 15 116.197 0.016 . 1 . . . . A 49 GLY N . 34495 1 630 . 1 . 1 54 54 ARG H H 1 7.782 0.001 . 1 . . . . A 50 ARG H . 34495 1 631 . 1 . 1 54 54 ARG HA H 1 5.114 0.004 . 1 . . . . A 50 ARG HA . 34495 1 632 . 1 . 1 54 54 ARG HB2 H 1 1.799 0.005 . 2 . . . . A 50 ARG HB2 . 34495 1 633 . 1 . 1 54 54 ARG HB3 H 1 1.942 0.003 . 2 . . . . A 50 ARG HB3 . 34495 1 634 . 1 . 1 54 54 ARG HG2 H 1 1.501 0.000 . 2 . . . . A 50 ARG HG2 . 34495 1 635 . 1 . 1 54 54 ARG HG3 H 1 1.575 0.000 . 2 . . . . A 50 ARG HG3 . 34495 1 636 . 1 . 1 54 54 ARG HD2 H 1 3.084 0.001 . 2 . . . . A 50 ARG HD2 . 34495 1 637 . 1 . 1 54 54 ARG HD3 H 1 3.198 0.001 . 2 . . . . A 50 ARG HD3 . 34495 1 638 . 1 . 1 54 54 ARG HE H 1 7.586 0.000 . 1 . . . . A 50 ARG HE . 34495 1 639 . 1 . 1 54 54 ARG C C 13 173.845 0.000 . 1 . . . . A 50 ARG C . 34495 1 640 . 1 . 1 54 54 ARG CA C 13 55.833 0.040 . 1 . . . . A 50 ARG CA . 34495 1 641 . 1 . 1 54 54 ARG CB C 13 34.046 0.069 . 1 . . . . A 50 ARG CB . 34495 1 642 . 1 . 1 54 54 ARG CG C 13 28.074 0.095 . 1 . . . . A 50 ARG CG . 34495 1 643 . 1 . 1 54 54 ARG CD C 13 43.723 0.039 . 1 . . . . A 50 ARG CD . 34495 1 644 . 1 . 1 54 54 ARG N N 15 119.195 0.014 . 1 . . . . A 50 ARG N . 34495 1 645 . 1 . 1 54 54 ARG NE N 15 84.505 0.000 . 1 . . . . A 50 ARG NE . 34495 1 646 . 1 . 1 55 55 VAL H H 1 9.411 0.002 . 1 . . . . A 51 VAL H . 34495 1 647 . 1 . 1 55 55 VAL HA H 1 4.318 0.004 . 1 . . . . A 51 VAL HA . 34495 1 648 . 1 . 1 55 55 VAL HB H 1 2.017 0.004 . 1 . . . . A 51 VAL HB . 34495 1 649 . 1 . 1 55 55 VAL HG11 H 1 0.766 0.003 . 2 . . . . A 51 VAL HG11 . 34495 1 650 . 1 . 1 55 55 VAL HG12 H 1 0.766 0.003 . 2 . . . . A 51 VAL HG12 . 34495 1 651 . 1 . 1 55 55 VAL HG13 H 1 0.766 0.003 . 2 . . . . A 51 VAL HG13 . 34495 1 652 . 1 . 1 55 55 VAL HG21 H 1 0.830 0.000 . 2 . . . . A 51 VAL HG21 . 34495 1 653 . 1 . 1 55 55 VAL HG22 H 1 0.830 0.000 . 2 . . . . A 51 VAL HG22 . 34495 1 654 . 1 . 1 55 55 VAL HG23 H 1 0.830 0.000 . 2 . . . . A 51 VAL HG23 . 34495 1 655 . 1 . 1 55 55 VAL C C 13 173.213 0.000 . 1 . . . . A 51 VAL C . 34495 1 656 . 1 . 1 55 55 VAL CA C 13 61.591 0.079 . 1 . . . . A 51 VAL CA . 34495 1 657 . 1 . 1 55 55 VAL CB C 13 33.913 0.052 . 1 . . . . A 51 VAL CB . 34495 1 658 . 1 . 1 55 55 VAL CG1 C 13 20.867 0.062 . 1 . . . . A 51 VAL CG1 . 34495 1 659 . 1 . 1 55 55 VAL CG2 C 13 20.977 0.177 . 1 . . . . A 51 VAL CG2 . 34495 1 660 . 1 . 1 55 55 VAL N N 15 124.883 0.007 . 1 . . . . A 51 VAL N . 34495 1 661 . 1 . 1 56 56 ASP H H 1 8.491 0.002 . 1 . . . . A 52 ASP H . 34495 1 662 . 1 . 1 56 56 ASP HA H 1 5.128 0.000 . 1 . . . . A 52 ASP HA . 34495 1 663 . 1 . 1 56 56 ASP HB2 H 1 2.420 0.000 . 2 . . . . A 52 ASP HB2 . 34495 1 664 . 1 . 1 56 56 ASP HB3 H 1 3.213 0.007 . 2 . . . . A 52 ASP HB3 . 34495 1 665 . 1 . 1 56 56 ASP C C 13 176.560 0.000 . 1 . . . . A 52 ASP C . 34495 1 666 . 1 . 1 56 56 ASP CA C 13 52.700 0.087 . 1 . . . . A 52 ASP CA . 34495 1 667 . 1 . 1 56 56 ASP CB C 13 41.915 0.039 . 1 . . . . A 52 ASP CB . 34495 1 668 . 1 . 1 56 56 ASP N N 15 126.456 0.012 . 1 . . . . A 52 ASP N . 34495 1 669 . 1 . 1 57 57 LEU H H 1 8.588 0.008 . 1 . . . . A 53 LEU H . 34495 1 670 . 1 . 1 57 57 LEU HA H 1 4.204 0.001 . 1 . . . . A 53 LEU HA . 34495 1 671 . 1 . 1 57 57 LEU HB2 H 1 1.951 0.000 . 2 . . . . A 53 LEU HB2 . 34495 1 672 . 1 . 1 57 57 LEU HB3 H 1 1.951 0.000 . 2 . . . . A 53 LEU HB3 . 34495 1 673 . 1 . 1 57 57 LEU HG H 1 1.630 0.003 . 1 . . . . A 53 LEU HG . 34495 1 674 . 1 . 1 57 57 LEU HD11 H 1 0.634 0.001 . 2 . . . . A 53 LEU HD11 . 34495 1 675 . 1 . 1 57 57 LEU HD12 H 1 0.634 0.001 . 2 . . . . A 53 LEU HD12 . 34495 1 676 . 1 . 1 57 57 LEU HD13 H 1 0.634 0.001 . 2 . . . . A 53 LEU HD13 . 34495 1 677 . 1 . 1 57 57 LEU HD21 H 1 0.736 0.000 . 2 . . . . A 53 LEU HD21 . 34495 1 678 . 1 . 1 57 57 LEU HD22 H 1 0.736 0.000 . 2 . . . . A 53 LEU HD22 . 34495 1 679 . 1 . 1 57 57 LEU HD23 H 1 0.736 0.000 . 2 . . . . A 53 LEU HD23 . 34495 1 680 . 1 . 1 57 57 LEU C C 13 177.857 0.000 . 1 . . . . A 53 LEU C . 34495 1 681 . 1 . 1 57 57 LEU CA C 13 56.021 0.077 . 1 . . . . A 53 LEU CA . 34495 1 682 . 1 . 1 57 57 LEU CB C 13 38.910 0.052 . 1 . . . . A 53 LEU CB . 34495 1 683 . 1 . 1 57 57 LEU CG C 13 28.168 0.061 . 1 . . . . A 53 LEU CG . 34495 1 684 . 1 . 1 57 57 LEU CD1 C 13 23.459 0.018 . 1 . . . . A 53 LEU CD1 . 34495 1 685 . 1 . 1 57 57 LEU CD2 C 13 24.408 0.008 . 1 . . . . A 53 LEU CD2 . 34495 1 686 . 1 . 1 57 57 LEU N N 15 124.845 0.026 . 1 . . . . A 53 LEU N . 34495 1 687 . 1 . 1 58 58 ARG H H 1 8.585 0.001 . 1 . . . . A 54 ARG H . 34495 1 688 . 1 . 1 58 58 ARG HA H 1 4.259 0.002 . 1 . . . . A 54 ARG HA . 34495 1 689 . 1 . 1 58 58 ARG HB2 H 1 1.954 0.002 . 2 . . . . A 54 ARG HB2 . 34495 1 690 . 1 . 1 58 58 ARG HB3 H 1 2.096 0.005 . 2 . . . . A 54 ARG HB3 . 34495 1 691 . 1 . 1 58 58 ARG HG2 H 1 1.709 0.002 . 2 . . . . A 54 ARG HG2 . 34495 1 692 . 1 . 1 58 58 ARG HG3 H 1 1.709 0.002 . 2 . . . . A 54 ARG HG3 . 34495 1 693 . 1 . 1 58 58 ARG HD2 H 1 3.260 0.005 . 2 . . . . A 54 ARG HD2 . 34495 1 694 . 1 . 1 58 58 ARG HD3 H 1 3.189 0.003 . 2 . . . . A 54 ARG HD3 . 34495 1 695 . 1 . 1 58 58 ARG HE H 1 7.566 0.000 . 1 . . . . A 54 ARG HE . 34495 1 696 . 1 . 1 58 58 ARG CA C 13 58.861 0.109 . 1 . . . . A 54 ARG CA . 34495 1 697 . 1 . 1 58 58 ARG CB C 13 29.869 0.058 . 1 . . . . A 54 ARG CB . 34495 1 698 . 1 . 1 58 58 ARG CG C 13 27.499 0.061 . 1 . . . . A 54 ARG CG . 34495 1 699 . 1 . 1 58 58 ARG CD C 13 43.579 0.028 . 1 . . . . A 54 ARG CD . 34495 1 700 . 1 . 1 58 58 ARG N N 15 119.278 0.036 . 1 . . . . A 54 ARG N . 34495 1 701 . 1 . 1 58 58 ARG NE N 15 84.613 0.000 . 1 . . . . A 54 ARG NE . 34495 1 702 . 1 . 1 59 59 SER H H 1 7.510 0.002 . 1 . . . . A 55 SER H . 34495 1 703 . 1 . 1 59 59 SER HA H 1 4.480 0.002 . 1 . . . . A 55 SER HA . 34495 1 704 . 1 . 1 59 59 SER HB2 H 1 3.855 0.000 . 2 . . . . A 55 SER HB2 . 34495 1 705 . 1 . 1 59 59 SER HB3 H 1 3.783 0.000 . 2 . . . . A 55 SER HB3 . 34495 1 706 . 1 . 1 59 59 SER C C 13 175.776 0.000 . 1 . . . . A 55 SER C . 34495 1 707 . 1 . 1 59 59 SER CA C 13 58.034 0.103 . 1 . . . . A 55 SER CA . 34495 1 708 . 1 . 1 59 59 SER CB C 13 64.536 0.068 . 1 . . . . A 55 SER CB . 34495 1 709 . 1 . 1 59 59 SER N N 15 110.199 0.009 . 1 . . . . A 55 SER N . 34495 1 710 . 1 . 1 60 60 GLY H H 1 8.079 0.001 . 1 . . . . A 56 GLY H . 34495 1 711 . 1 . 1 60 60 GLY HA2 H 1 3.688 0.004 . 2 . . . . A 56 GLY HA2 . 34495 1 712 . 1 . 1 60 60 GLY HA3 H 1 4.155 0.002 . 2 . . . . A 56 GLY HA3 . 34495 1 713 . 1 . 1 60 60 GLY C C 13 173.375 0.000 . 1 . . . . A 56 GLY C . 34495 1 714 . 1 . 1 60 60 GLY CA C 13 46.887 0.052 . 1 . . . . A 56 GLY CA . 34495 1 715 . 1 . 1 60 60 GLY N N 15 112.235 0.011 . 1 . . . . A 56 GLY N . 34495 1 716 . 1 . 1 61 61 VAL H H 1 7.746 0.002 . 1 . . . . A 57 VAL H . 34495 1 717 . 1 . 1 61 61 VAL HA H 1 4.693 0.003 . 1 . . . . A 57 VAL HA . 34495 1 718 . 1 . 1 61 61 VAL HB H 1 1.845 0.005 . 1 . . . . A 57 VAL HB . 34495 1 719 . 1 . 1 61 61 VAL HG11 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG11 . 34495 1 720 . 1 . 1 61 61 VAL HG12 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG12 . 34495 1 721 . 1 . 1 61 61 VAL HG13 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG13 . 34495 1 722 . 1 . 1 61 61 VAL HG21 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG21 . 34495 1 723 . 1 . 1 61 61 VAL HG22 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG22 . 34495 1 724 . 1 . 1 61 61 VAL HG23 H 1 0.801 0.002 . 2 . . . . A 57 VAL HG23 . 34495 1 725 . 1 . 1 61 61 VAL C C 13 175.813 0.000 . 1 . . . . A 57 VAL C . 34495 1 726 . 1 . 1 61 61 VAL CA C 13 62.248 0.109 . 1 . . . . A 57 VAL CA . 34495 1 727 . 1 . 1 61 61 VAL CB C 13 34.835 0.054 . 1 . . . . A 57 VAL CB . 34495 1 728 . 1 . 1 61 61 VAL CG1 C 13 21.832 0.018 . 1 . . . . A 57 VAL CG1 . 34495 1 729 . 1 . 1 61 61 VAL CG2 C 13 21.863 0.005 . 1 . . . . A 57 VAL CG2 . 34495 1 730 . 1 . 1 61 61 VAL N N 15 118.814 0.006 . 1 . . . . A 57 VAL N . 34495 1 731 . 1 . 1 62 62 ILE H H 1 9.350 0.004 . 1 . . . . A 58 ILE H . 34495 1 732 . 1 . 1 62 62 ILE HA H 1 4.957 0.004 . 1 . . . . A 58 ILE HA . 34495 1 733 . 1 . 1 62 62 ILE HB H 1 1.867 0.003 . 1 . . . . A 58 ILE HB . 34495 1 734 . 1 . 1 62 62 ILE HG12 H 1 0.979 0.001 . 2 . . . . A 58 ILE HG12 . 34495 1 735 . 1 . 1 62 62 ILE HG13 H 1 1.639 0.003 . 2 . . . . A 58 ILE HG13 . 34495 1 736 . 1 . 1 62 62 ILE HG21 H 1 0.846 0.001 . 1 . . . . A 58 ILE HG21 . 34495 1 737 . 1 . 1 62 62 ILE HG22 H 1 0.846 0.001 . 1 . . . . A 58 ILE HG22 . 34495 1 738 . 1 . 1 62 62 ILE HG23 H 1 0.846 0.001 . 1 . . . . A 58 ILE HG23 . 34495 1 739 . 1 . 1 62 62 ILE HD11 H 1 0.705 0.001 . 1 . . . . A 58 ILE HD11 . 34495 1 740 . 1 . 1 62 62 ILE HD12 H 1 0.705 0.001 . 1 . . . . A 58 ILE HD12 . 34495 1 741 . 1 . 1 62 62 ILE HD13 H 1 0.705 0.001 . 1 . . . . A 58 ILE HD13 . 34495 1 742 . 1 . 1 62 62 ILE C C 13 174.474 0.000 . 1 . . . . A 58 ILE C . 34495 1 743 . 1 . 1 62 62 ILE CA C 13 59.969 0.109 . 1 . . . . A 58 ILE CA . 34495 1 744 . 1 . 1 62 62 ILE CB C 13 39.845 0.064 . 1 . . . . A 58 ILE CB . 34495 1 745 . 1 . 1 62 62 ILE CG1 C 13 28.580 0.057 . 1 . . . . A 58 ILE CG1 . 34495 1 746 . 1 . 1 62 62 ILE CG2 C 13 17.702 0.020 . 1 . . . . A 58 ILE CG2 . 34495 1 747 . 1 . 1 62 62 ILE CD1 C 13 15.263 0.038 . 1 . . . . A 58 ILE CD1 . 34495 1 748 . 1 . 1 62 62 ILE N N 15 131.175 0.023 . 1 . . . . A 58 ILE N . 34495 1 749 . 1 . 1 63 63 SER H H 1 9.316 0.001 . 1 . . . . A 59 SER H . 34495 1 750 . 1 . 1 63 63 SER HA H 1 5.291 0.003 . 1 . . . . A 59 SER HA . 34495 1 751 . 1 . 1 63 63 SER HB2 H 1 3.817 0.006 . 2 . . . . A 59 SER HB2 . 34495 1 752 . 1 . 1 63 63 SER HB3 H 1 3.756 0.002 . 2 . . . . A 59 SER HB3 . 34495 1 753 . 1 . 1 63 63 SER C C 13 174.688 0.000 . 1 . . . . A 59 SER C . 34495 1 754 . 1 . 1 63 63 SER CA C 13 57.213 0.091 . 1 . . . . A 59 SER CA . 34495 1 755 . 1 . 1 63 63 SER CB C 13 64.229 0.063 . 1 . . . . A 59 SER CB . 34495 1 756 . 1 . 1 63 63 SER N N 15 122.546 0.013 . 1 . . . . A 59 SER N . 34495 1 757 . 1 . 1 64 64 LEU H H 1 8.675 0.002 . 1 . . . . A 60 LEU H . 34495 1 758 . 1 . 1 64 64 LEU HA H 1 5.178 0.003 . 1 . . . . A 60 LEU HA . 34495 1 759 . 1 . 1 64 64 LEU HB2 H 1 1.410 0.003 . 2 . . . . A 60 LEU HB2 . 34495 1 760 . 1 . 1 64 64 LEU HB3 H 1 1.777 0.001 . 2 . . . . A 60 LEU HB3 . 34495 1 761 . 1 . 1 64 64 LEU HG H 1 1.647 0.002 . 1 . . . . A 60 LEU HG . 34495 1 762 . 1 . 1 64 64 LEU HD11 H 1 0.694 0.001 . 2 . . . . A 60 LEU HD11 . 34495 1 763 . 1 . 1 64 64 LEU HD12 H 1 0.694 0.001 . 2 . . . . A 60 LEU HD12 . 34495 1 764 . 1 . 1 64 64 LEU HD13 H 1 0.694 0.001 . 2 . . . . A 60 LEU HD13 . 34495 1 765 . 1 . 1 64 64 LEU HD21 H 1 0.456 0.001 . 2 . . . . A 60 LEU HD21 . 34495 1 766 . 1 . 1 64 64 LEU HD22 H 1 0.456 0.001 . 2 . . . . A 60 LEU HD22 . 34495 1 767 . 1 . 1 64 64 LEU HD23 H 1 0.456 0.001 . 2 . . . . A 60 LEU HD23 . 34495 1 768 . 1 . 1 64 64 LEU C C 13 175.878 0.000 . 1 . . . . A 60 LEU C . 34495 1 769 . 1 . 1 64 64 LEU CA C 13 53.137 0.104 . 1 . . . . A 60 LEU CA . 34495 1 770 . 1 . 1 64 64 LEU CB C 13 42.368 0.062 . 1 . . . . A 60 LEU CB . 34495 1 771 . 1 . 1 64 64 LEU CG C 13 27.209 0.073 . 1 . . . . A 60 LEU CG . 34495 1 772 . 1 . 1 64 64 LEU CD1 C 13 23.809 0.061 . 1 . . . . A 60 LEU CD1 . 34495 1 773 . 1 . 1 64 64 LEU CD2 C 13 26.011 0.054 . 1 . . . . A 60 LEU CD2 . 34495 1 774 . 1 . 1 64 64 LEU N N 15 124.058 0.011 . 1 . . . . A 60 LEU N . 34495 1 775 . 1 . 1 65 65 ILE H H 1 8.743 0.001 . 1 . . . . A 61 ILE H . 34495 1 776 . 1 . 1 65 65 ILE HA H 1 4.759 0.006 . 1 . . . . A 61 ILE HA . 34495 1 777 . 1 . 1 65 65 ILE HB H 1 1.915 0.002 . 1 . . . . A 61 ILE HB . 34495 1 778 . 1 . 1 65 65 ILE HG12 H 1 0.784 0.002 . 2 . . . . A 61 ILE HG12 . 34495 1 779 . 1 . 1 65 65 ILE HG13 H 1 1.287 0.001 . 2 . . . . A 61 ILE HG13 . 34495 1 780 . 1 . 1 65 65 ILE HG21 H 1 0.861 0.001 . 1 . . . . A 61 ILE HG21 . 34495 1 781 . 1 . 1 65 65 ILE HG22 H 1 0.861 0.001 . 1 . . . . A 61 ILE HG22 . 34495 1 782 . 1 . 1 65 65 ILE HG23 H 1 0.861 0.001 . 1 . . . . A 61 ILE HG23 . 34495 1 783 . 1 . 1 65 65 ILE HD11 H 1 0.876 0.001 . 1 . . . . A 61 ILE HD11 . 34495 1 784 . 1 . 1 65 65 ILE HD12 H 1 0.876 0.001 . 1 . . . . A 61 ILE HD12 . 34495 1 785 . 1 . 1 65 65 ILE HD13 H 1 0.876 0.001 . 1 . . . . A 61 ILE HD13 . 34495 1 786 . 1 . 1 65 65 ILE C C 13 174.225 0.000 . 1 . . . . A 61 ILE C . 34495 1 787 . 1 . 1 65 65 ILE CA C 13 59.092 0.100 . 1 . . . . A 61 ILE CA . 34495 1 788 . 1 . 1 65 65 ILE CB C 13 42.520 0.067 . 1 . . . . A 61 ILE CB . 34495 1 789 . 1 . 1 65 65 ILE CG1 C 13 25.878 0.069 . 1 . . . . A 61 ILE CG1 . 34495 1 790 . 1 . 1 65 65 ILE CG2 C 13 17.964 0.035 . 1 . . . . A 61 ILE CG2 . 34495 1 791 . 1 . 1 65 65 ILE CD1 C 13 13.734 0.047 . 1 . . . . A 61 ILE CD1 . 34495 1 792 . 1 . 1 65 65 ILE N N 15 116.765 0.003 . 1 . . . . A 61 ILE N . 34495 1 793 . 1 . 1 66 66 GLU H H 1 8.671 0.001 . 1 . . . . A 62 GLU H . 34495 1 794 . 1 . 1 66 66 GLU HA H 1 4.357 0.002 . 1 . . . . A 62 GLU HA . 34495 1 795 . 1 . 1 66 66 GLU HB2 H 1 1.919 0.000 . 2 . . . . A 62 GLU HB2 . 34495 1 796 . 1 . 1 66 66 GLU HB3 H 1 2.081 0.002 . 2 . . . . A 62 GLU HB3 . 34495 1 797 . 1 . 1 66 66 GLU HG2 H 1 2.267 0.004 . 2 . . . . A 62 GLU HG2 . 34495 1 798 . 1 . 1 66 66 GLU HG3 H 1 2.315 0.001 . 2 . . . . A 62 GLU HG3 . 34495 1 799 . 1 . 1 66 66 GLU C C 13 176.870 0.000 . 1 . . . . A 62 GLU C . 34495 1 800 . 1 . 1 66 66 GLU CA C 13 57.174 0.042 . 1 . . . . A 62 GLU CA . 34495 1 801 . 1 . 1 66 66 GLU CB C 13 30.145 0.023 . 1 . . . . A 62 GLU CB . 34495 1 802 . 1 . 1 66 66 GLU CG C 13 36.761 0.009 . 1 . . . . A 62 GLU CG . 34495 1 803 . 1 . 1 66 66 GLU N N 15 122.282 0.006 . 1 . . . . A 62 GLU N . 34495 1 804 . 1 . 1 67 67 GLU H H 1 8.292 0.001 . 1 . . . . A 63 GLU H . 34495 1 805 . 1 . 1 67 67 GLU HA H 1 4.214 0.128 . 1 . . . . A 63 GLU HA . 34495 1 806 . 1 . 1 67 67 GLU HB2 H 1 1.822 0.002 . 2 . . . . A 63 GLU HB2 . 34495 1 807 . 1 . 1 67 67 GLU HB3 H 1 1.822 0.002 . 2 . . . . A 63 GLU HB3 . 34495 1 808 . 1 . 1 67 67 GLU HG2 H 1 2.118 0.001 . 2 . . . . A 63 GLU HG2 . 34495 1 809 . 1 . 1 67 67 GLU HG3 H 1 2.118 0.001 . 2 . . . . A 63 GLU HG3 . 34495 1 810 . 1 . 1 67 67 GLU C C 13 176.388 0.000 . 1 . . . . A 63 GLU C . 34495 1 811 . 1 . 1 67 67 GLU CA C 13 57.175 0.083 . 1 . . . . A 63 GLU CA . 34495 1 812 . 1 . 1 67 67 GLU CB C 13 30.230 0.073 . 1 . . . . A 63 GLU CB . 34495 1 813 . 1 . 1 67 67 GLU CG C 13 36.235 0.370 . 1 . . . . A 63 GLU CG . 34495 1 814 . 1 . 1 67 67 GLU N N 15 123.610 0.002 . 1 . . . . A 63 GLU N . 34495 1 815 . 1 . 1 68 68 GLN H H 1 8.589 0.001 . 1 . . . . A 64 GLN H . 34495 1 816 . 1 . 1 68 68 GLN HA H 1 4.327 0.002 . 1 . . . . A 64 GLN HA . 34495 1 817 . 1 . 1 68 68 GLN HB2 H 1 1.966 0.002 . 2 . . . . A 64 GLN HB2 . 34495 1 818 . 1 . 1 68 68 GLN HB3 H 1 2.090 0.001 . 2 . . . . A 64 GLN HB3 . 34495 1 819 . 1 . 1 68 68 GLN HG2 H 1 2.363 0.000 . 2 . . . . A 64 GLN HG2 . 34495 1 820 . 1 . 1 68 68 GLN HG3 H 1 2.363 0.000 . 2 . . . . A 64 GLN HG3 . 34495 1 821 . 1 . 1 68 68 GLN HE21 H 1 7.599 0.000 . 2 . . . . A 64 GLN HE21 . 34495 1 822 . 1 . 1 68 68 GLN HE22 H 1 6.884 0.000 . 2 . . . . A 64 GLN HE22 . 34495 1 823 . 1 . 1 68 68 GLN C C 13 175.684 0.000 . 1 . . . . A 64 GLN C . 34495 1 824 . 1 . 1 68 68 GLN CA C 13 55.893 0.101 . 1 . . . . A 64 GLN CA . 34495 1 825 . 1 . 1 68 68 GLN CB C 13 29.562 0.041 . 1 . . . . A 64 GLN CB . 34495 1 826 . 1 . 1 68 68 GLN CG C 13 33.703 0.027 . 1 . . . . A 64 GLN CG . 34495 1 827 . 1 . 1 68 68 GLN N N 15 121.407 0.006 . 1 . . . . A 64 GLN N . 34495 1 828 . 1 . 1 68 68 GLN NE2 N 15 112.806 0.000 . 1 . . . . A 64 GLN NE2 . 34495 1 829 . 1 . 1 69 69 ASN H H 1 8.518 0.001 . 1 . . . . A 65 ASN H . 34495 1 830 . 1 . 1 69 69 ASN HA H 1 4.729 0.001 . 1 . . . . A 65 ASN HA . 34495 1 831 . 1 . 1 69 69 ASN HB2 H 1 2.723 0.003 . 2 . . . . A 65 ASN HB2 . 34495 1 832 . 1 . 1 69 69 ASN HB3 H 1 2.863 0.001 . 2 . . . . A 65 ASN HB3 . 34495 1 833 . 1 . 1 69 69 ASN HD21 H 1 7.626 0.000 . 2 . . . . A 65 ASN HD21 . 34495 1 834 . 1 . 1 69 69 ASN HD22 H 1 6.923 0.000 . 2 . . . . A 65 ASN HD22 . 34495 1 835 . 1 . 1 69 69 ASN C C 13 174.156 0.000 . 1 . . . . A 65 ASN C . 34495 1 836 . 1 . 1 69 69 ASN CA C 13 53.385 0.092 . 1 . . . . A 65 ASN CA . 34495 1 837 . 1 . 1 69 69 ASN CB C 13 38.854 0.051 . 1 . . . . A 65 ASN CB . 34495 1 838 . 1 . 1 69 69 ASN N N 15 120.302 0.007 . 1 . . . . A 65 ASN N . 34495 1 839 . 1 . 1 69 69 ASN ND2 N 15 113.089 0.003 . 1 . . . . A 65 ASN ND2 . 34495 1 840 . 1 . 1 70 70 ARG H H 1 7.879 0.001 . 1 . . . . A 66 ARG H . 34495 1 841 . 1 . 1 70 70 ARG HA H 1 4.140 0.002 . 1 . . . . A 66 ARG HA . 34495 1 842 . 1 . 1 70 70 ARG HB2 H 1 1.701 0.001 . 2 . . . . A 66 ARG HB2 . 34495 1 843 . 1 . 1 70 70 ARG HB3 H 1 1.819 0.002 . 2 . . . . A 66 ARG HB3 . 34495 1 844 . 1 . 1 70 70 ARG HG2 H 1 1.562 0.001 . 2 . . . . A 66 ARG HG2 . 34495 1 845 . 1 . 1 70 70 ARG HG3 H 1 1.562 0.001 . 2 . . . . A 66 ARG HG3 . 34495 1 846 . 1 . 1 70 70 ARG HD2 H 1 3.152 0.002 . 2 . . . . A 66 ARG HD2 . 34495 1 847 . 1 . 1 70 70 ARG HD3 H 1 3.152 0.002 . 2 . . . . A 66 ARG HD3 . 34495 1 848 . 1 . 1 70 70 ARG HE H 1 7.259 0.002 . 1 . . . . A 66 ARG HE . 34495 1 849 . 1 . 1 70 70 ARG CA C 13 57.523 0.050 . 1 . . . . A 66 ARG CA . 34495 1 850 . 1 . 1 70 70 ARG CB C 13 31.447 0.041 . 1 . . . . A 66 ARG CB . 34495 1 851 . 1 . 1 70 70 ARG CG C 13 27.210 0.054 . 1 . . . . A 66 ARG CG . 34495 1 852 . 1 . 1 70 70 ARG CD C 13 43.503 0.029 . 1 . . . . A 66 ARG CD . 34495 1 853 . 1 . 1 70 70 ARG N N 15 126.333 0.003 . 1 . . . . A 66 ARG N . 34495 1 854 . 1 . 1 70 70 ARG NE N 15 85.122 0.001 . 1 . . . . A 66 ARG NE . 34495 1 stop_ save_