data_52197 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52197 _Entry.Title ; Partial solid-state NMR 13C, 15N resonance assignments of the two conformations of Bj-SemiSWEET in native celular membranes ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-31 _Entry.Accession_date 2023-10-31 _Entry.Last_release_date 2023-10-31 _Entry.Original_release_date 2023-10-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This entry presents the partial solid-state NMR 13C and 15N resonance assignments of two conformations of the sugar transporter protein, Sugar will eventually be exported transporter from Bradyrhizobium (Bj-SemiSWEET), in native cellular membranes. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Huayong Xie . . . 0000-0003-2865-6557 52197 2 yuefang Gan . . . . 52197 3 jun Yang . . . . 52197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 620 52197 '15N chemical shifts' 170 52197 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 . . 2024-01-04 . original BMRB . 52197 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52197 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38155644 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Membrane Protein Structures in Native Cellular Membranes Revealed by Solid-State NMR Spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'JACS Au.' _Citation.Journal_name_full 'JACS Au.' _Citation.Journal_volume 3 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2691-3704 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3412 _Citation.Page_last 3423 _Citation.Year 2023 _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 Yan Zhang Y. . . . 52197 1 2 Yuefang Gan Y. . . . 52197 1 3 Weijing Zhao W. . . . 52197 1 4 Xuning Zhang X. . . . 52197 1 5 Yongxiang Zhao Y. . . . 52197 1 6 Huayong Xie H. . . . 52197 1 7 Jun Yang J. . . . 52197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52197 _Assembly.ID 1 _Assembly.Name Bj-SemiSWEET _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Gene ID: 1047436;NCBI Reference Sequence: WP_011089200.1' _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 'Bj-SemiSWEET, conformer A' 1 $entity_1 . . yes native yes yes . 'One monomer of the symmetric dimer' 'Symmetric dimer' 52197 1 2 'Bj-SemiSWEET, conformer B' 1 $entity_1 . . yes native yes yes . 'One monomer of the symmetric dimer' 'Symmetric dimer' 52197 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'The Bradyrhizobium japonicum SemiSWEET mediates sucrose transport.' 52197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPFLIKLIGFAAATCTTVA YAPQFIKVLKTRSARDISLG MFLVMVLGLALWLIYGLLSG DAPLIASNAVTMLLAGGILV MKLRYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'NCBI Reference Sequence: WP_011089200.1' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Gene ID: 1047436' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI WP_011089200 . 'SemiSWEET transporter [Bradyrhizobium]' . . . . . . . . . . . . . . 52197 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The SemiSWEET protein from Bradyrhizobium japonicum functions as a mediator of sucrose transport.' 52197 1 stop_ 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 . MET . 52197 1 2 . ASP . 52197 1 3 . PRO . 52197 1 4 . PHE . 52197 1 5 . LEU . 52197 1 6 . ILE . 52197 1 7 . LYS . 52197 1 8 . LEU . 52197 1 9 . ILE . 52197 1 10 . GLY . 52197 1 11 . PHE . 52197 1 12 . ALA . 52197 1 13 . ALA . 52197 1 14 . ALA . 52197 1 15 . THR . 52197 1 16 . CYS . 52197 1 17 . THR . 52197 1 18 . THR . 52197 1 19 . VAL . 52197 1 20 . ALA . 52197 1 21 . TYR . 52197 1 22 . ALA . 52197 1 23 . PRO . 52197 1 24 . GLN . 52197 1 25 . PHE . 52197 1 26 . ILE . 52197 1 27 . LYS . 52197 1 28 . VAL . 52197 1 29 . LEU . 52197 1 30 . LYS . 52197 1 31 . THR . 52197 1 32 . ARG . 52197 1 33 . SER . 52197 1 34 . ALA . 52197 1 35 . ARG . 52197 1 36 . ASP . 52197 1 37 . ILE . 52197 1 38 . SER . 52197 1 39 . LEU . 52197 1 40 . GLY . 52197 1 41 . MET . 52197 1 42 . PHE . 52197 1 43 . LEU . 52197 1 44 . VAL . 52197 1 45 . MET . 52197 1 46 . VAL . 52197 1 47 . LEU . 52197 1 48 . GLY . 52197 1 49 . LEU . 52197 1 50 . ALA . 52197 1 51 . LEU . 52197 1 52 . TRP . 52197 1 53 . LEU . 52197 1 54 . ILE . 52197 1 55 . TYR . 52197 1 56 . GLY . 52197 1 57 . LEU . 52197 1 58 . LEU . 52197 1 59 . SER . 52197 1 60 . GLY . 52197 1 61 . ASP . 52197 1 62 . ALA . 52197 1 63 . PRO . 52197 1 64 . LEU . 52197 1 65 . ILE . 52197 1 66 . ALA . 52197 1 67 . SER . 52197 1 68 . ASN . 52197 1 69 . ALA . 52197 1 70 . VAL . 52197 1 71 . THR . 52197 1 72 . MET . 52197 1 73 . LEU . 52197 1 74 . LEU . 52197 1 75 . ALA . 52197 1 76 . GLY . 52197 1 77 . GLY . 52197 1 78 . ILE . 52197 1 79 . LEU . 52197 1 80 . VAL . 52197 1 81 . MET . 52197 1 82 . LYS . 52197 1 83 . LEU . 52197 1 84 . ARG . 52197 1 85 . TYR . 52197 1 86 . GLY . 52197 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52197 1 . ASP 2 2 52197 1 . PRO 3 3 52197 1 . PHE 4 4 52197 1 . LEU 5 5 52197 1 . ILE 6 6 52197 1 . LYS 7 7 52197 1 . LEU 8 8 52197 1 . ILE 9 9 52197 1 . GLY 10 10 52197 1 . PHE 11 11 52197 1 . ALA 12 12 52197 1 . ALA 13 13 52197 1 . ALA 14 14 52197 1 . THR 15 15 52197 1 . CYS 16 16 52197 1 . THR 17 17 52197 1 . THR 18 18 52197 1 . VAL 19 19 52197 1 . ALA 20 20 52197 1 . TYR 21 21 52197 1 . ALA 22 22 52197 1 . PRO 23 23 52197 1 . GLN 24 24 52197 1 . PHE 25 25 52197 1 . ILE 26 26 52197 1 . LYS 27 27 52197 1 . VAL 28 28 52197 1 . LEU 29 29 52197 1 . LYS 30 30 52197 1 . THR 31 31 52197 1 . ARG 32 32 52197 1 . SER 33 33 52197 1 . ALA 34 34 52197 1 . ARG 35 35 52197 1 . ASP 36 36 52197 1 . ILE 37 37 52197 1 . SER 38 38 52197 1 . LEU 39 39 52197 1 . GLY 40 40 52197 1 . MET 41 41 52197 1 . PHE 42 42 52197 1 . LEU 43 43 52197 1 . VAL 44 44 52197 1 . MET 45 45 52197 1 . VAL 46 46 52197 1 . LEU 47 47 52197 1 . GLY 48 48 52197 1 . LEU 49 49 52197 1 . ALA 50 50 52197 1 . LEU 51 51 52197 1 . TRP 52 52 52197 1 . LEU 53 53 52197 1 . ILE 54 54 52197 1 . TYR 55 55 52197 1 . GLY 56 56 52197 1 . LEU 57 57 52197 1 . LEU 58 58 52197 1 . SER 59 59 52197 1 . GLY 60 60 52197 1 . ASP 61 61 52197 1 . ALA 62 62 52197 1 . PRO 63 63 52197 1 . LEU 64 64 52197 1 . ILE 65 65 52197 1 . ALA 66 66 52197 1 . SER 67 67 52197 1 . ASN 68 68 52197 1 . ALA 69 69 52197 1 . VAL 70 70 52197 1 . THR 71 71 52197 1 . MET 72 72 52197 1 . LEU 73 73 52197 1 . LEU 74 74 52197 1 . ALA 75 75 52197 1 . GLY 76 76 52197 1 . GLY 77 77 52197 1 . ILE 78 78 52197 1 . LEU 79 79 52197 1 . VAL 80 80 52197 1 . MET 81 81 52197 1 . LYS 82 82 52197 1 . LEU 83 83 52197 1 . ARG 84 84 52197 1 . TYR 85 85 52197 1 . GLY 86 86 52197 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52197 _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 . 374 organism . Bradyrhizobium Bradyrhizobium . . Bacteria . Bradyrhizobium . . . . . . . . . . . . BJA_RS32700 'Sugar transporter SemiSWEET' 52197 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52197 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pSD005 . . . 52197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52197 _Sample.ID 1 _Sample.Name BJSS_IM _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details ; The cellular membranes BJSS_IM for ssNMR experiments were collected directly after overexpression of Bj-SemiSWEET in E.coli, cell lysis, and isolation of cell components without protein purification. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '40% H2O' _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 Bj-SemiSWEET '[U-13C; U-15N]' . . 1 $entity_1 . . 0.7 . . w/w . . . . 52197 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 52197 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pH: 7.5; pressure: 1 atm; temperature: 277 K' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 52197 1 pressure 1 . atm 52197 1 temperature 277 . K 52197 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52197 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52197 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52197 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52197 _Experiment_list.ID 1 _Experiment_list.Details ; All NMR experiments were performed on a standard Bruker Advance 800 MHz spectrometer with a 3.2 mm E-free HCN MAS probe under 10.5 kHz spinning rate at 272 K. The 2D/3D ssNMR CONCA, NCOCX, and NCACX experiments of U-13C, 15N-BJSS IM samples were performed for chemical shift assignments. ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NCACX no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52197 1 2 NCOCX no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52197 1 3 CONCA no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52197 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 52197 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Adam _Chem_shift_reference.Details ; The 13C chemical shifts were referenced using adamantine (40.48 ppm for the methylene carbon), (Morcombe and Zilm 2003) and 15N chemical shifts were indirectly referenced using liquid NH3 according to gyromagnetic ratios. ; 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 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 . . . . . 52197 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external direct 1 . . . . . 52197 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 52197 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts observed in the outward-open conformation of Bj-SemiSWEET' _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 NCACX . . . 52197 1 2 NCOCX . . . 52197 1 3 CONCA . . . 52197 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52197 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 3 3 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 1 2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 1 3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 1 4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 1 5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 1 6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 1 7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 1 8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 1 9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 1 10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 1 11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 1 12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 1 13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 1 14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 1 15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 1 16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 1 17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 1 18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 1 19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 1 20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 1 21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 1 22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 1 23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 1 24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 1 25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 1 26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 1 27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 1 28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 1 29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 1 30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 1 31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 1 32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 1 33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 1 34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 1 35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 1 36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 1 37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 1 38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 1 39 . 1 . 1 11 11 PHE C C 13 176.465 0.3 . 1 . . . . . 11 PHE C . 52197 1 40 . 1 . 1 11 11 PHE CA C 13 58.067 0.3 . 1 . . . . . 11 PHE CA . 52197 1 41 . 1 . 1 11 11 PHE CB C 13 38.714 0.3 . 1 . . . . . 11 PHE CB . 52197 1 42 . 1 . 1 11 11 PHE N N 15 122.05 0.3 . 1 . . . . . 11 PHE N . 52197 1 43 . 1 . 1 12 12 ALA C C 13 178.501 0.3 . 1 . . . . . 12 ALA C . 52197 1 44 . 1 . 1 12 12 ALA CA C 13 55.515 0.3 . 1 . . . . . 12 ALA CA . 52197 1 45 . 1 . 1 12 12 ALA CB C 13 18.454 0.3 . 1 . . . . . 12 ALA CB . 52197 1 46 . 1 . 1 12 12 ALA N N 15 123.112 0.3 . 1 . . . . . 12 ALA N . 52197 1 47 . 1 . 1 13 13 ALA C C 13 178.396 0.3 . 1 . . . . . 13 ALA C . 52197 1 48 . 1 . 1 13 13 ALA CA C 13 55.477 0.3 . 1 . . . . . 13 ALA CA . 52197 1 49 . 1 . 1 13 13 ALA CB C 13 15.123 0.3 . 1 . . . . . 13 ALA CB . 52197 1 50 . 1 . 1 13 13 ALA N N 15 123.236 0.3 . 1 . . . . . 13 ALA N . 52197 1 51 . 1 . 1 14 14 ALA C C 13 180.435 0.3 . 1 . . . . . 14 ALA C . 52197 1 52 . 1 . 1 14 14 ALA CA C 13 53.8 0.3 . 1 . . . . . 14 ALA CA . 52197 1 53 . 1 . 1 14 14 ALA CB C 13 18.933 0.3 . 1 . . . . . 14 ALA CB . 52197 1 54 . 1 . 1 14 14 ALA N N 15 116.987 0.3 . 1 . . . . . 14 ALA N . 52197 1 55 . 1 . 1 15 15 THR C C 13 176.495 0.3 . 1 . . . . . 15 THR C . 52197 1 56 . 1 . 1 15 15 THR CA C 13 68.087 0.3 . 1 . . . . . 15 THR CA . 52197 1 57 . 1 . 1 15 15 THR CB C 13 65.31 0.3 . 1 . . . . . 15 THR CB . 52197 1 58 . 1 . 1 15 15 THR CG2 C 13 19.138 0.3 . 1 . . . . . 15 THR CG2 . 52197 1 59 . 1 . 1 15 15 THR N N 15 116.066 0.3 . 1 . . . . . 15 THR N . 52197 1 60 . 1 . 1 16 16 CYS C C 13 176.512 0.3 . 1 . . . . . 16 CYS C . 52197 1 61 . 1 . 1 16 16 CYS CA C 13 65.362 0.3 . 1 . . . . . 16 CYS CA . 52197 1 62 . 1 . 1 16 16 CYS CB C 13 27.533 0.3 . 1 . . . . . 16 CYS CB . 52197 1 63 . 1 . 1 16 16 CYS N N 15 118.566 0.3 . 1 . . . . . 16 CYS N . 52197 1 64 . 1 . 1 17 17 THR C C 13 176.581 0.3 . 1 . . . . . 17 THR C . 52197 1 65 . 1 . 1 17 17 THR CA C 13 65.756 0.3 . 1 . . . . . 17 THR CA . 52197 1 66 . 1 . 1 17 17 THR CB C 13 68.099 0.3 . 1 . . . . . 17 THR CB . 52197 1 67 . 1 . 1 17 17 THR CG2 C 13 21.656 0.3 . 1 . . . . . 17 THR CG2 . 52197 1 68 . 1 . 1 17 17 THR N N 15 107.247 0.3 . 1 . . . . . 17 THR N . 52197 1 69 . 1 . 1 18 18 THR C C 13 174.731 0.3 . 1 . . . . . 18 THR C . 52197 1 70 . 1 . 1 18 18 THR CA C 13 65.258 0.3 . 1 . . . . . 18 THR CA . 52197 1 71 . 1 . 1 18 18 THR CB C 13 67.938 0.3 . 1 . . . . . 18 THR CB . 52197 1 72 . 1 . 1 18 18 THR CG2 C 13 22.218 0.3 . 1 . . . . . 18 THR CG2 . 52197 1 73 . 1 . 1 18 18 THR N N 15 107.555 0.3 . 1 . . . . . 18 THR N . 52197 1 74 . 1 . 1 19 19 VAL C C 13 177.984 0.3 . 1 . . . . . 19 VAL C . 52197 1 75 . 1 . 1 19 19 VAL CA C 13 65.547 0.3 . 1 . . . . . 19 VAL CA . 52197 1 76 . 1 . 1 19 19 VAL CB C 13 31.412 0.3 . 1 . . . . . 19 VAL CB . 52197 1 77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 1 78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 1 79 . 1 . 1 19 19 VAL N N 15 116.434 0.3 . 1 . . . . . 19 VAL N . 52197 1 80 . 1 . 1 20 20 ALA C C 13 177.48 0.3 . 1 . . . . . 20 ALA C . 52197 1 81 . 1 . 1 20 20 ALA CA C 13 55.369 0.3 . 1 . . . . . 20 ALA CA . 52197 1 82 . 1 . 1 20 20 ALA CB C 13 18.221 0.3 . 1 . . . . . 20 ALA CB . 52197 1 83 . 1 . 1 20 20 ALA N N 15 121.963 0.3 . 1 . . . . . 20 ALA N . 52197 1 84 . 1 . 1 21 21 TYR C C 13 179.641 0.3 . 1 . . . . . 21 TYR C . 52197 1 85 . 1 . 1 21 21 TYR CA C 13 61.116 0.3 . 1 . . . . . 21 TYR CA . 52197 1 86 . 1 . 1 21 21 TYR CB C 13 41.015 0.3 . 1 . . . . . 21 TYR CB . 52197 1 87 . 1 . 1 21 21 TYR N N 15 107.676 0.3 . 1 . . . . . 21 TYR N . 52197 1 88 . 1 . 1 22 22 ALA C C 13 176.27 0.3 . 1 . . . . . 22 ALA C . 52197 1 89 . 1 . 1 22 22 ALA CA C 13 56.921 0.3 . 1 . . . . . 22 ALA CA . 52197 1 90 . 1 . 1 22 22 ALA CB C 13 15.876 0.3 . 1 . . . . . 22 ALA CB . 52197 1 91 . 1 . 1 22 22 ALA N N 15 121.926 0.3 . 1 . . . . . 22 ALA N . 52197 1 92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 1 93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 1 94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 1 95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 1 96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 1 97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 1 98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 1 99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 1 100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 1 101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 1 102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 1 103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 1 104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 1 105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 1 106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 1 107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 1 108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 1 109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 1 110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 1 111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 1 112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 1 113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 1 114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 1 115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 1 116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 1 117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 1 118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 1 119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 1 120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 1 121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 1 122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 1 123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 1 124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 1 125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 1 126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 1 127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 1 128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 1 129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 1 130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 1 131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 1 132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 1 133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 1 134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 1 135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 1 136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 1 137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 1 138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 1 139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 1 140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 1 141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 1 142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 1 143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 1 144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 1 145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 1 146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 1 147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 1 148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 1 149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 1 150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 1 151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 1 152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 1 153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 1 154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 1 155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 1 156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 1 157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 1 158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 1 159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 1 160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 1 161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 1 162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 1 163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 1 164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 1 165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 1 166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 1 167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 1 168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 1 169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 1 170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 1 171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 1 172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 1 173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 1 174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 1 175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 1 176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 1 177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 1 178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 1 179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 1 180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 1 181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 1 182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 1 183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 1 184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 1 185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 1 186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 1 187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 1 188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 1 189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 1 190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 1 191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 1 192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 1 193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 1 194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 1 195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 1 196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 1 197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 1 198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 1 199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 1 200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 1 201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 1 202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 1 203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 1 204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 1 205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 1 206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 1 207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 1 208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 1 209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 1 210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 1 211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 1 212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 1 213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 1 214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 1 215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 1 216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 1 217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 1 218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 1 219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 1 220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 1 221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 1 222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 1 223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 1 224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 1 225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 1 226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 1 227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 1 228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 1 229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 1 230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 1 231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 1 232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 1 233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 1 234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 1 235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 1 236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 1 237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 1 238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 1 239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 1 240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 1 241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 1 242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 1 243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 1 244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 1 245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 1 246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 1 247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 1 248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 1 249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 1 250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 1 251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 1 252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 1 253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 1 254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 1 255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 1 256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 1 257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 1 258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 1 259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 1 260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 1 261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 1 262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 1 263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 1 264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 1 265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 1 266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 1 267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 1 268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 1 269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 1 270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 1 271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 1 272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 1 273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 1 274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 1 275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 1 276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 1 277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 1 278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 1 279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 1 280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 1 281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 1 282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 1 283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 1 284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 1 285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 1 286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 1 287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 1 288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 1 289 . 1 . 1 61 61 ASP C C 13 174.485 0.3 . 1 . . . . . 61 ASP C . 52197 1 290 . 1 . 1 61 61 ASP CA C 13 52.051 0.3 . 1 . . . . . 61 ASP CA . 52197 1 291 . 1 . 1 61 61 ASP CB C 13 41.647 0.3 . 1 . . . . . 61 ASP CB . 52197 1 292 . 1 . 1 61 61 ASP CG C 13 179.551 0.3 . 1 . . . . . 61 ASP CG . 52197 1 293 . 1 . 1 61 61 ASP N N 15 120.488 0.3 . 1 . . . . . 61 ASP N . 52197 1 294 . 1 . 1 62 62 ALA C C 13 176.157 0.3 . 1 . . . . . 62 ALA C . 52197 1 295 . 1 . 1 62 62 ALA CA C 13 56.611 0.3 . 1 . . . . . 62 ALA CA . 52197 1 296 . 1 . 1 62 62 ALA CB C 13 16.531 0.3 . 1 . . . . . 62 ALA CB . 52197 1 297 . 1 . 1 62 62 ALA N N 15 125.72 0.3 . 1 . . . . . 62 ALA N . 52197 1 298 . 1 . 1 63 63 PRO C C 13 178.927 0.3 . 1 . . . . . 63 PRO C . 52197 1 299 . 1 . 1 63 63 PRO CA C 13 66.246 0.3 . 1 . . . . . 63 PRO CA . 52197 1 300 . 1 . 1 63 63 PRO CB C 13 30.98 0.3 . 1 . . . . . 63 PRO CB . 52197 1 301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 1 302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 1 303 . 1 . 1 63 63 PRO N N 15 134.734 0.3 . 1 . . . . . 63 PRO N . 52197 1 304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 1 305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 1 306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 1 307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 1 308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 1 309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 1 310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 1 311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 1 312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 1 313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 1 314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 1 315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 1 316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 1 317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 1 318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 1 319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 1 320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 1 321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 1 322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 1 323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 1 324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 1 325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 1 326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 1 327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 1 328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 1 329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 1 330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 1 331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 1 332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 1 333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 1 334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 1 335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 1 336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 1 337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 1 338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 1 339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 1 340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 1 341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 1 342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 1 343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 1 344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 1 345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 1 346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 1 347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 1 348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 1 349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 1 350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 1 351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 1 352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 1 353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 1 354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 1 355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 1 356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 1 357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 1 358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 1 359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 1 360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 1 361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 1 362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 1 363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 1 364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 1 365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 1 366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 1 367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 1 368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 1 369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 1 370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 1 371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 1 372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 1 373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 1 374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 1 375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 1 376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 1 377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 1 378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 1 379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 1 380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 1 381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 1 382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 1 383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 1 384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 1 385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 1 386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 1 387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 1 388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 1 389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 1 390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 1 391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 1 392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 1 393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 1 394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 1 395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52197 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Chemical shifts observed in the occluded conformation of Bj-SemiSWEET' _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 NCACX . . . 52197 2 2 NCOCX . . . 52197 2 3 CONCA . . . 52197 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52197 2 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 3 3 PRO C C 13 178.695 0.3 . 1 . . . . . 3 PRO C . 52197 2 2 . 1 . 1 3 3 PRO CA C 13 64.774 0.3 . 1 . . . . . 3 PRO CA . 52197 2 3 . 1 . 1 3 3 PRO CB C 13 32.207 0.3 . 1 . . . . . 3 PRO CB . 52197 2 4 . 1 . 1 3 3 PRO CG C 13 27.387 0.3 . 1 . . . . . 3 PRO CG . 52197 2 5 . 1 . 1 3 3 PRO CD C 13 51.286 0.3 . 1 . . . . . 3 PRO CD . 52197 2 6 . 1 . 1 3 3 PRO N N 15 139.025 0.3 . 1 . . . . . 3 PRO N . 52197 2 7 . 1 . 1 4 4 PHE C C 13 180.023 0.3 . 1 . . . . . 4 PHE C . 52197 2 8 . 1 . 1 4 4 PHE CA C 13 60.565 0.3 . 1 . . . . . 4 PHE CA . 52197 2 9 . 1 . 1 4 4 PHE CB C 13 38.164 0.3 . 1 . . . . . 4 PHE CB . 52197 2 10 . 1 . 1 4 4 PHE N N 15 119.835 0.3 . 1 . . . . . 4 PHE N . 52197 2 11 . 1 . 1 5 5 LEU C C 13 178.28 0.3 . 1 . . . . . 5 LEU C . 52197 2 12 . 1 . 1 5 5 LEU CA C 13 57.094 0.3 . 1 . . . . . 5 LEU CA . 52197 2 13 . 1 . 1 5 5 LEU CB C 13 42.253 0.3 . 1 . . . . . 5 LEU CB . 52197 2 14 . 1 . 1 5 5 LEU N N 15 118.178 0.3 . 1 . . . . . 5 LEU N . 52197 2 15 . 1 . 1 6 6 ILE C C 13 177.636 0.3 . 1 . . . . . 6 ILE C . 52197 2 16 . 1 . 1 6 6 ILE CA C 13 66.211 0.3 . 1 . . . . . 6 ILE CA . 52197 2 17 . 1 . 1 6 6 ILE CB C 13 38.145 0.3 . 1 . . . . . 6 ILE CB . 52197 2 18 . 1 . 1 6 6 ILE CG1 C 13 29.318 0.3 . 1 . . . . . 6 ILE CG1 . 52197 2 19 . 1 . 1 6 6 ILE N N 15 116.771 0.3 . 1 . . . . . 6 ILE N . 52197 2 20 . 1 . 1 7 7 LYS C C 13 177.651 0.3 . 1 . . . . . 7 LYS C . 52197 2 21 . 1 . 1 7 7 LYS CA C 13 58.44 0.3 . 1 . . . . . 7 LYS CA . 52197 2 22 . 1 . 1 7 7 LYS CB C 13 31.595 0.3 . 1 . . . . . 7 LYS CB . 52197 2 23 . 1 . 1 7 7 LYS N N 15 119.976 0.3 . 1 . . . . . 7 LYS N . 52197 2 24 . 1 . 1 8 8 LEU C C 13 178.711 0.3 . 1 . . . . . 8 LEU C . 52197 2 25 . 1 . 1 8 8 LEU CA C 13 58.412 0.3 . 1 . . . . . 8 LEU CA . 52197 2 26 . 1 . 1 8 8 LEU CB C 13 41.374 0.3 . 1 . . . . . 8 LEU CB . 52197 2 27 . 1 . 1 8 8 LEU CG C 13 27.759 0.3 . 1 . . . . . 8 LEU CG . 52197 2 28 . 1 . 1 8 8 LEU N N 15 121.407 0.3 . 1 . . . . . 8 LEU N . 52197 2 29 . 1 . 1 9 9 ILE C C 13 177.411 0.3 . 1 . . . . . 9 ILE C . 52197 2 30 . 1 . 1 9 9 ILE CA C 13 66.154 0.3 . 1 . . . . . 9 ILE CA . 52197 2 31 . 1 . 1 9 9 ILE CB C 13 37.624 0.3 . 1 . . . . . 9 ILE CB . 52197 2 32 . 1 . 1 9 9 ILE CG1 C 13 27.429 0.3 . 1 . . . . . 9 ILE CG1 . 52197 2 33 . 1 . 1 9 9 ILE CG2 C 13 18.186 0.3 . 1 . . . . . 9 ILE CG2 . 52197 2 34 . 1 . 1 9 9 ILE CD1 C 13 14.38 0.3 . 1 . . . . . 9 ILE CD1 . 52197 2 35 . 1 . 1 9 9 ILE N N 15 119.508 0.3 . 1 . . . . . 9 ILE N . 52197 2 36 . 1 . 1 10 10 GLY C C 13 175.251 0.3 . 1 . . . . . 10 GLY C . 52197 2 37 . 1 . 1 10 10 GLY CA C 13 46.476 0.3 . 1 . . . . . 10 GLY CA . 52197 2 38 . 1 . 1 10 10 GLY N N 15 106.723 0.3 . 1 . . . . . 10 GLY N . 52197 2 39 . 1 . 1 11 11 PHE C C 13 179.008 0.3 . 1 . . . . . 11 PHE C . 52197 2 40 . 1 . 1 11 11 PHE CA C 13 57.986 0.3 . 1 . . . . . 11 PHE CA . 52197 2 41 . 1 . 1 11 11 PHE CB C 13 39.106 0.3 . 1 . . . . . 11 PHE CB . 52197 2 42 . 1 . 1 11 11 PHE N N 15 122.172 0.3 . 1 . . . . . 11 PHE N . 52197 2 43 . 1 . 1 12 12 ALA C C 13 179.746 0.3 . 1 . . . . . 12 ALA C . 52197 2 44 . 1 . 1 12 12 ALA CA C 13 55.416 0.3 . 1 . . . . . 12 ALA CA . 52197 2 45 . 1 . 1 12 12 ALA CB C 13 18.294 0.3 . 1 . . . . . 12 ALA CB . 52197 2 46 . 1 . 1 12 12 ALA N N 15 121.22 0.3 . 1 . . . . . 12 ALA N . 52197 2 47 . 1 . 1 13 13 ALA C C 13 178.813 0.3 . 1 . . . . . 13 ALA C . 52197 2 48 . 1 . 1 13 13 ALA CA C 13 55.252 0.3 . 1 . . . . . 13 ALA CA . 52197 2 49 . 1 . 1 13 13 ALA CB C 13 18.5 0.3 . 1 . . . . . 13 ALA CB . 52197 2 50 . 1 . 1 13 13 ALA N N 15 125.224 0.3 . 1 . . . . . 13 ALA N . 52197 2 51 . 1 . 1 14 14 ALA C C 13 178.353 0.3 . 1 . . . . . 14 ALA C . 52197 2 52 . 1 . 1 14 14 ALA CA C 13 55.408 0.3 . 1 . . . . . 14 ALA CA . 52197 2 53 . 1 . 1 14 14 ALA CB C 13 18.297 0.3 . 1 . . . . . 14 ALA CB . 52197 2 54 . 1 . 1 14 14 ALA N N 15 127.257 0.3 . 1 . . . . . 14 ALA N . 52197 2 55 . 1 . 1 15 15 THR C C 13 178.846 0.3 . 1 . . . . . 15 THR C . 52197 2 56 . 1 . 1 15 15 THR CA C 13 68.04 0.3 . 1 . . . . . 15 THR CA . 52197 2 57 . 1 . 1 15 15 THR CB C 13 65.424 0.3 . 1 . . . . . 15 THR CB . 52197 2 58 . 1 . 1 15 15 THR CG2 C 13 18.66 0.3 . 1 . . . . . 15 THR CG2 . 52197 2 59 . 1 . 1 15 15 THR N N 15 115.952 0.3 . 1 . . . . . 15 THR N . 52197 2 60 . 1 . 1 16 16 CYS C C 13 178.989 0.3 . 1 . . . . . 16 CYS C . 52197 2 61 . 1 . 1 16 16 CYS CA C 13 59.131 0.3 . 1 . . . . . 16 CYS CA . 52197 2 62 . 1 . 1 16 16 CYS CB C 13 32.993 0.3 . 1 . . . . . 16 CYS CB . 52197 2 63 . 1 . 1 16 16 CYS N N 15 115.358 0.3 . 1 . . . . . 16 CYS N . 52197 2 64 . 1 . 1 17 17 THR C C 13 175.627 0.3 . 1 . . . . . 17 THR C . 52197 2 65 . 1 . 1 17 17 THR CA C 13 62.326 0.3 . 1 . . . . . 17 THR CA . 52197 2 66 . 1 . 1 17 17 THR CB C 13 71.017 0.3 . 1 . . . . . 17 THR CB . 52197 2 67 . 1 . 1 17 17 THR CG2 C 13 22.389 0.3 . 1 . . . . . 17 THR CG2 . 52197 2 68 . 1 . 1 17 17 THR N N 15 105.992 0.3 . 1 . . . . . 17 THR N . 52197 2 69 . 1 . 1 18 18 THR C C 13 176.621 0.3 . 1 . . . . . 18 THR C . 52197 2 70 . 1 . 1 18 18 THR CA C 13 65.295 0.3 . 1 . . . . . 18 THR CA . 52197 2 71 . 1 . 1 18 18 THR CB C 13 68.12 0.3 . 1 . . . . . 18 THR CB . 52197 2 72 . 1 . 1 18 18 THR CG2 C 13 22.88 0.3 . 1 . . . . . 18 THR CG2 . 52197 2 73 . 1 . 1 18 18 THR N N 15 106.601 0.3 . 1 . . . . . 18 THR N . 52197 2 74 . 1 . 1 19 19 VAL C C 13 176.995 0.3 . 1 . . . . . 19 VAL C . 52197 2 75 . 1 . 1 19 19 VAL CA C 13 65.523 0.3 . 1 . . . . . 19 VAL CA . 52197 2 76 . 1 . 1 19 19 VAL CB C 13 29.67 0.3 . 1 . . . . . 19 VAL CB . 52197 2 77 . 1 . 1 19 19 VAL CG1 C 13 22.775 0.3 . 2 . . . . . 19 VAL CG1 . 52197 2 78 . 1 . 1 19 19 VAL CG2 C 13 21.552 0.3 . 2 . . . . . 19 VAL CG2 . 52197 2 79 . 1 . 1 19 19 VAL N N 15 118.601 0.3 . 1 . . . . . 19 VAL N . 52197 2 80 . 1 . 1 20 20 ALA C C 13 179.01 0.3 . 1 . . . . . 20 ALA C . 52197 2 81 . 1 . 1 20 20 ALA CA C 13 55.567 0.3 . 1 . . . . . 20 ALA CA . 52197 2 82 . 1 . 1 20 20 ALA CB C 13 19.119 0.3 . 1 . . . . . 20 ALA CB . 52197 2 83 . 1 . 1 20 20 ALA N N 15 118.649 0.3 . 1 . . . . . 20 ALA N . 52197 2 84 . 1 . 1 21 21 TYR C C 13 178.531 0.3 . 1 . . . . . 21 TYR C . 52197 2 85 . 1 . 1 21 21 TYR CA C 13 61.32 0.3 . 1 . . . . . 21 TYR CA . 52197 2 86 . 1 . 1 21 21 TYR CB C 13 41.263 0.3 . 1 . . . . . 21 TYR CB . 52197 2 87 . 1 . 1 21 21 TYR N N 15 109.606 0.3 . 1 . . . . . 21 TYR N . 52197 2 88 . 1 . 1 22 22 ALA C C 13 176.376 0.3 . 1 . . . . . 22 ALA C . 52197 2 89 . 1 . 1 22 22 ALA CA C 13 55.566 0.3 . 1 . . . . . 22 ALA CA . 52197 2 90 . 1 . 1 22 22 ALA CB C 13 15.711 0.3 . 1 . . . . . 22 ALA CB . 52197 2 91 . 1 . 1 22 22 ALA N N 15 122.682 0.3 . 1 . . . . . 22 ALA N . 52197 2 92 . 1 . 1 23 23 PRO C C 13 178.535 0.3 . 1 . . . . . 23 PRO C . 52197 2 93 . 1 . 1 23 23 PRO CA C 13 65.395 0.3 . 1 . . . . . 23 PRO CA . 52197 2 94 . 1 . 1 23 23 PRO CB C 13 31.32 0.3 . 1 . . . . . 23 PRO CB . 52197 2 95 . 1 . 1 23 23 PRO CG C 13 28.179 0.3 . 1 . . . . . 23 PRO CG . 52197 2 96 . 1 . 1 23 23 PRO CD C 13 49.514 0.3 . 1 . . . . . 23 PRO CD . 52197 2 97 . 1 . 1 23 23 PRO N N 15 132.557 0.3 . 1 . . . . . 23 PRO N . 52197 2 98 . 1 . 1 24 24 GLN C C 13 177.288 0.3 . 1 . . . . . 24 GLN C . 52197 2 99 . 1 . 1 24 24 GLN CA C 13 57.845 0.3 . 1 . . . . . 24 GLN CA . 52197 2 100 . 1 . 1 24 24 GLN CB C 13 31.469 0.3 . 1 . . . . . 24 GLN CB . 52197 2 101 . 1 . 1 24 24 GLN CG C 13 34.175 0.3 . 1 . . . . . 24 GLN CG . 52197 2 102 . 1 . 1 24 24 GLN CD C 13 178.65 0.3 . 1 . . . . . 24 GLN CD . 52197 2 103 . 1 . 1 24 24 GLN N N 15 115.299 0.3 . 1 . . . . . 24 GLN N . 52197 2 104 . 1 . 1 25 25 PHE C C 13 176.422 0.3 . 1 . . . . . 25 PHE C . 52197 2 105 . 1 . 1 25 25 PHE CA C 13 60.576 0.3 . 1 . . . . . 25 PHE CA . 52197 2 106 . 1 . 1 25 25 PHE CB C 13 39.697 0.3 . 1 . . . . . 25 PHE CB . 52197 2 107 . 1 . 1 25 25 PHE N N 15 122.919 0.3 . 1 . . . . . 25 PHE N . 52197 2 108 . 1 . 1 26 26 ILE C C 13 178.035 0.3 . 1 . . . . . 26 ILE C . 52197 2 109 . 1 . 1 26 26 ILE CA C 13 65.193 0.3 . 1 . . . . . 26 ILE CA . 52197 2 110 . 1 . 1 26 26 ILE CB C 13 38.285 0.3 . 1 . . . . . 26 ILE CB . 52197 2 111 . 1 . 1 26 26 ILE CG1 C 13 31.622 0.3 . 1 . . . . . 26 ILE CG1 . 52197 2 112 . 1 . 1 26 26 ILE CG2 C 13 17.748 0.3 . 1 . . . . . 26 ILE CG2 . 52197 2 113 . 1 . 1 26 26 ILE CD1 C 13 13.469 0.3 . 1 . . . . . 26 ILE CD1 . 52197 2 114 . 1 . 1 26 26 ILE N N 15 116.972 0.3 . 1 . . . . . 26 ILE N . 52197 2 115 . 1 . 1 27 27 LYS C C 13 178.035 0.3 . 1 . . . . . 27 LYS C . 52197 2 116 . 1 . 1 27 27 LYS CA C 13 58.049 0.3 . 1 . . . . . 27 LYS CA . 52197 2 117 . 1 . 1 27 27 LYS CB C 13 31.296 0.3 . 1 . . . . . 27 LYS CB . 52197 2 118 . 1 . 1 27 27 LYS CE C 13 41.414 0.3 . 1 . . . . . 27 LYS CE . 52197 2 119 . 1 . 1 27 27 LYS N N 15 118.268 0.3 . 1 . . . . . 27 LYS N . 52197 2 120 . 1 . 1 27 27 LYS NZ N 15 32.977 0.3 . 1 . . . . . 27 LYS NZ . 52197 2 121 . 1 . 1 28 28 VAL C C 13 178.078 0.3 . 1 . . . . . 28 VAL C . 52197 2 122 . 1 . 1 28 28 VAL CA C 13 67.057 0.3 . 1 . . . . . 28 VAL CA . 52197 2 123 . 1 . 1 28 28 VAL CB C 13 31.331 0.3 . 1 . . . . . 28 VAL CB . 52197 2 124 . 1 . 1 28 28 VAL CG1 C 13 22.963 0.3 . 2 . . . . . 28 VAL CG1 . 52197 2 125 . 1 . 1 28 28 VAL CG2 C 13 21.535 0.3 . 2 . . . . . 28 VAL CG2 . 52197 2 126 . 1 . 1 28 28 VAL N N 15 117.049 0.3 . 1 . . . . . 28 VAL N . 52197 2 127 . 1 . 1 29 29 LEU C C 13 175.296 0.3 . 1 . . . . . 29 LEU C . 52197 2 128 . 1 . 1 29 29 LEU CA C 13 58.015 0.3 . 1 . . . . . 29 LEU CA . 52197 2 129 . 1 . 1 29 29 LEU CB C 13 42.127 0.3 . 1 . . . . . 29 LEU CB . 52197 2 130 . 1 . 1 29 29 LEU CG C 13 26.824 0.3 . 1 . . . . . 29 LEU CG . 52197 2 131 . 1 . 1 29 29 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 29 LEU CD1 . 52197 2 132 . 1 . 1 29 29 LEU N N 15 122.196 0.3 . 1 . . . . . 29 LEU N . 52197 2 133 . 1 . 1 30 30 LYS C C 13 178.791 0.3 . 1 . . . . . 30 LYS C . 52197 2 134 . 1 . 1 30 30 LYS CA C 13 57.945 0.3 . 1 . . . . . 30 LYS CA . 52197 2 135 . 1 . 1 30 30 LYS CB C 13 27.119 0.3 . 1 . . . . . 30 LYS CB . 52197 2 136 . 1 . 1 30 30 LYS CG C 13 24.111 0.3 . 1 . . . . . 30 LYS CG . 52197 2 137 . 1 . 1 30 30 LYS CD C 13 26.279 0.3 . 1 . . . . . 30 LYS CD . 52197 2 138 . 1 . 1 30 30 LYS CE C 13 41.912 0.3 . 1 . . . . . 30 LYS CE . 52197 2 139 . 1 . 1 30 30 LYS N N 15 132.833 0.3 . 1 . . . . . 30 LYS N . 52197 2 140 . 1 . 1 30 30 LYS NZ N 15 33.042 0.3 . 1 . . . . . 30 LYS NZ . 52197 2 141 . 1 . 1 31 31 THR C C 13 175.603 0.3 . 1 . . . . . 31 THR C . 52197 2 142 . 1 . 1 31 31 THR CA C 13 62.054 0.3 . 1 . . . . . 31 THR CA . 52197 2 143 . 1 . 1 31 31 THR CB C 13 70.461 0.3 . 1 . . . . . 31 THR CB . 52197 2 144 . 1 . 1 31 31 THR CG2 C 13 21.742 0.3 . 1 . . . . . 31 THR CG2 . 52197 2 145 . 1 . 1 31 31 THR N N 15 106.148 0.3 . 1 . . . . . 31 THR N . 52197 2 146 . 1 . 1 32 32 ARG C C 13 174.504 0.3 . 1 . . . . . 32 ARG C . 52197 2 147 . 1 . 1 32 32 ARG CA C 13 55.956 0.3 . 1 . . . . . 32 ARG CA . 52197 2 148 . 1 . 1 32 32 ARG CB C 13 27.221 0.3 . 1 . . . . . 32 ARG CB . 52197 2 149 . 1 . 1 32 32 ARG N N 15 120.06 0.3 . 1 . . . . . 32 ARG N . 52197 2 150 . 1 . 1 33 33 SER C C 13 173.241 0.3 . 1 . . . . . 33 SER C . 52197 2 151 . 1 . 1 33 33 SER CA C 13 56.869 0.3 . 1 . . . . . 33 SER CA . 52197 2 152 . 1 . 1 33 33 SER CB C 13 63.335 0.3 . 1 . . . . . 33 SER CB . 52197 2 153 . 1 . 1 33 33 SER N N 15 109.653 0.3 . 1 . . . . . 33 SER N . 52197 2 154 . 1 . 1 34 34 ALA C C 13 175.993 0.3 . 1 . . . . . 34 ALA C . 52197 2 155 . 1 . 1 34 34 ALA CA C 13 50.06 0.3 . 1 . . . . . 34 ALA CA . 52197 2 156 . 1 . 1 34 34 ALA CB C 13 20.321 0.3 . 1 . . . . . 34 ALA CB . 52197 2 157 . 1 . 1 34 34 ALA N N 15 126.493 0.3 . 1 . . . . . 34 ALA N . 52197 2 158 . 1 . 1 35 35 ARG C C 13 178.578 0.3 . 1 . . . . . 35 ARG C . 52197 2 159 . 1 . 1 35 35 ARG CA C 13 60.094 0.3 . 1 . . . . . 35 ARG CA . 52197 2 160 . 1 . 1 35 35 ARG CB C 13 29.93 0.3 . 1 . . . . . 35 ARG CB . 52197 2 161 . 1 . 1 35 35 ARG CG C 13 25.992 0.3 . 1 . . . . . 35 ARG CG . 52197 2 162 . 1 . 1 35 35 ARG CD C 13 42.063 0.3 . 1 . . . . . 35 ARG CD . 52197 2 163 . 1 . 1 35 35 ARG N N 15 126.395 0.3 . 1 . . . . . 35 ARG N . 52197 2 164 . 1 . 1 36 36 ASP C C 13 176.52 0.3 . 1 . . . . . 36 ASP C . 52197 2 165 . 1 . 1 36 36 ASP CA C 13 55.544 0.3 . 1 . . . . . 36 ASP CA . 52197 2 166 . 1 . 1 36 36 ASP CB C 13 42.017 0.3 . 1 . . . . . 36 ASP CB . 52197 2 167 . 1 . 1 36 36 ASP CG C 13 178.28 0.3 . 1 . . . . . 36 ASP CG . 52197 2 168 . 1 . 1 36 36 ASP N N 15 111.803 0.3 . 1 . . . . . 36 ASP N . 52197 2 169 . 1 . 1 37 37 ILE C C 13 175.954 0.3 . 1 . . . . . 37 ILE C . 52197 2 170 . 1 . 1 37 37 ILE CA C 13 59.487 0.3 . 1 . . . . . 37 ILE CA . 52197 2 171 . 1 . 1 37 37 ILE CB C 13 37.784 0.3 . 1 . . . . . 37 ILE CB . 52197 2 172 . 1 . 1 37 37 ILE CG1 C 13 28.237 0.3 . 1 . . . . . 37 ILE CG1 . 52197 2 173 . 1 . 1 37 37 ILE CG2 C 13 17.581 0.3 . 1 . . . . . 37 ILE CG2 . 52197 2 174 . 1 . 1 37 37 ILE N N 15 118.184 0.3 . 1 . . . . . 37 ILE N . 52197 2 175 . 1 . 1 38 38 SER C C 13 175.096 0.3 . 1 . . . . . 38 SER C . 52197 2 176 . 1 . 1 38 38 SER CA C 13 56.202 0.3 . 1 . . . . . 38 SER CA . 52197 2 177 . 1 . 1 38 38 SER CB C 13 62.343 0.3 . 1 . . . . . 38 SER CB . 52197 2 178 . 1 . 1 38 38 SER N N 15 120.296 0.3 . 1 . . . . . 38 SER N . 52197 2 179 . 1 . 1 39 39 LEU C C 13 178.507 0.3 . 1 . . . . . 39 LEU C . 52197 2 180 . 1 . 1 39 39 LEU CA C 13 58.127 0.3 . 1 . . . . . 39 LEU CA . 52197 2 181 . 1 . 1 39 39 LEU CB C 13 42.037 0.3 . 1 . . . . . 39 LEU CB . 52197 2 182 . 1 . 1 39 39 LEU CG C 13 27.116 0.3 . 1 . . . . . 39 LEU CG . 52197 2 183 . 1 . 1 39 39 LEU CD1 C 13 24.239 0.3 . 2 . . . . . 39 LEU CD1 . 52197 2 184 . 1 . 1 39 39 LEU CD2 C 13 23.177 0.3 . 2 . . . . . 39 LEU CD2 . 52197 2 185 . 1 . 1 39 39 LEU N N 15 132.65 0.3 . 1 . . . . . 39 LEU N . 52197 2 186 . 1 . 1 40 40 GLY C C 13 174.441 0.3 . 1 . . . . . 40 GLY C . 52197 2 187 . 1 . 1 40 40 GLY CA C 13 47.693 0.3 . 1 . . . . . 40 GLY CA . 52197 2 188 . 1 . 1 40 40 GLY N N 15 105.972 0.3 . 1 . . . . . 40 GLY N . 52197 2 189 . 1 . 1 41 41 MET C C 13 177.504 0.3 . 1 . . . . . 41 MET C . 52197 2 190 . 1 . 1 41 41 MET CA C 13 58.529 0.3 . 1 . . . . . 41 MET CA . 52197 2 191 . 1 . 1 41 41 MET CB C 13 33.521 0.3 . 1 . . . . . 41 MET CB . 52197 2 192 . 1 . 1 41 41 MET CG C 13 31.909 0.3 . 1 . . . . . 41 MET CG . 52197 2 193 . 1 . 1 41 41 MET N N 15 118.545 0.3 . 1 . . . . . 41 MET N . 52197 2 194 . 1 . 1 42 42 PHE C C 13 177.391 0.3 . 1 . . . . . 42 PHE C . 52197 2 195 . 1 . 1 42 42 PHE CA C 13 64.044 0.3 . 1 . . . . . 42 PHE CA . 52197 2 196 . 1 . 1 42 42 PHE CB C 13 39.498 0.3 . 1 . . . . . 42 PHE CB . 52197 2 197 . 1 . 1 42 42 PHE N N 15 114.877 0.3 . 1 . . . . . 42 PHE N . 52197 2 198 . 1 . 1 43 43 LEU C C 13 178.507 0.3 . 1 . . . . . 43 LEU C . 52197 2 199 . 1 . 1 43 43 LEU CA C 13 58.225 0.3 . 1 . . . . . 43 LEU CA . 52197 2 200 . 1 . 1 43 43 LEU CB C 13 41.633 0.3 . 1 . . . . . 43 LEU CB . 52197 2 201 . 1 . 1 43 43 LEU CG C 13 26.706 0.3 . 1 . . . . . 43 LEU CG . 52197 2 202 . 1 . 1 43 43 LEU N N 15 119.599 0.3 . 1 . . . . . 43 LEU N . 52197 2 203 . 1 . 1 44 44 VAL C C 13 177.394 0.3 . 1 . . . . . 44 VAL C . 52197 2 204 . 1 . 1 44 44 VAL CA C 13 66.036 0.3 . 1 . . . . . 44 VAL CA . 52197 2 205 . 1 . 1 44 44 VAL CB C 13 29.667 0.3 . 1 . . . . . 44 VAL CB . 52197 2 206 . 1 . 1 44 44 VAL CG1 C 13 23.312 0.3 . 2 . . . . . 44 VAL CG1 . 52197 2 207 . 1 . 1 44 44 VAL CG2 C 13 21.823 0.3 . 2 . . . . . 44 VAL CG2 . 52197 2 208 . 1 . 1 44 44 VAL N N 15 119.984 0.3 . 1 . . . . . 44 VAL N . 52197 2 209 . 1 . 1 45 45 MET C C 13 178.51 0.3 . 1 . . . . . 45 MET C . 52197 2 210 . 1 . 1 45 45 MET CA C 13 58.178 0.3 . 1 . . . . . 45 MET CA . 52197 2 211 . 1 . 1 45 45 MET CB C 13 31.612 0.3 . 1 . . . . . 45 MET CB . 52197 2 212 . 1 . 1 45 45 MET CG C 13 29.457 0.3 . 1 . . . . . 45 MET CG . 52197 2 213 . 1 . 1 45 45 MET N N 15 121.088 0.3 . 1 . . . . . 45 MET N . 52197 2 214 . 1 . 1 46 46 VAL C C 13 177.331 0.3 . 1 . . . . . 46 VAL C . 52197 2 215 . 1 . 1 46 46 VAL CA C 13 66.031 0.3 . 1 . . . . . 46 VAL CA . 52197 2 216 . 1 . 1 46 46 VAL CB C 13 31.367 0.3 . 1 . . . . . 46 VAL CB . 52197 2 217 . 1 . 1 46 46 VAL CG1 C 13 23.209 0.3 . 2 . . . . . 46 VAL CG1 . 52197 2 218 . 1 . 1 46 46 VAL CG2 C 13 21.806 0.3 . 2 . . . . . 46 VAL CG2 . 52197 2 219 . 1 . 1 46 46 VAL N N 15 118.899 0.3 . 1 . . . . . 46 VAL N . 52197 2 220 . 1 . 1 47 47 LEU C C 13 178.007 0.3 . 1 . . . . . 47 LEU C . 52197 2 221 . 1 . 1 47 47 LEU CA C 13 58.3 0.3 . 1 . . . . . 47 LEU CA . 52197 2 222 . 1 . 1 47 47 LEU CB C 13 41.251 0.3 . 1 . . . . . 47 LEU CB . 52197 2 223 . 1 . 1 47 47 LEU CG C 13 27.093 0.3 . 1 . . . . . 47 LEU CG . 52197 2 224 . 1 . 1 47 47 LEU CD1 C 13 24.072 0.3 . 2 . . . . . 47 LEU CD1 . 52197 2 225 . 1 . 1 47 47 LEU CD2 C 13 23.102 0.3 . 2 . . . . . 47 LEU CD2 . 52197 2 226 . 1 . 1 47 47 LEU N N 15 120.372 0.3 . 1 . . . . . 47 LEU N . 52197 2 227 . 1 . 1 48 48 GLY C C 13 174.696 0.3 . 1 . . . . . 48 GLY C . 52197 2 228 . 1 . 1 48 48 GLY CA C 13 48.648 0.3 . 1 . . . . . 48 GLY CA . 52197 2 229 . 1 . 1 48 48 GLY N N 15 105.305 0.3 . 1 . . . . . 48 GLY N . 52197 2 230 . 1 . 1 49 49 LEU C C 13 178.809 0.3 . 1 . . . . . 49 LEU C . 52197 2 231 . 1 . 1 49 49 LEU CA C 13 57.749 0.3 . 1 . . . . . 49 LEU CA . 52197 2 232 . 1 . 1 49 49 LEU CB C 13 41.983 0.3 . 1 . . . . . 49 LEU CB . 52197 2 233 . 1 . 1 49 49 LEU CG C 13 26.447 0.3 . 1 . . . . . 49 LEU CG . 52197 2 234 . 1 . 1 49 49 LEU CD1 C 13 22.913 0.3 . 2 . . . . . 49 LEU CD1 . 52197 2 235 . 1 . 1 49 49 LEU N N 15 121.117 0.3 . 1 . . . . . 49 LEU N . 52197 2 236 . 1 . 1 50 50 ALA C C 13 177.476 0.3 . 1 . . . . . 50 ALA C . 52197 2 237 . 1 . 1 50 50 ALA CA C 13 55.307 0.3 . 1 . . . . . 50 ALA CA . 52197 2 238 . 1 . 1 50 50 ALA CB C 13 18.273 0.3 . 1 . . . . . 50 ALA CB . 52197 2 239 . 1 . 1 50 50 ALA N N 15 121.21 0.3 . 1 . . . . . 50 ALA N . 52197 2 240 . 1 . 1 51 51 LEU C C 13 179.17 0.3 . 1 . . . . . 51 LEU C . 52197 2 241 . 1 . 1 51 51 LEU CA C 13 58.037 0.3 . 1 . . . . . 51 LEU CA . 52197 2 242 . 1 . 1 51 51 LEU CB C 13 42.019 0.3 . 1 . . . . . 51 LEU CB . 52197 2 243 . 1 . 1 51 51 LEU CG C 13 26.483 0.3 . 1 . . . . . 51 LEU CG . 52197 2 244 . 1 . 1 51 51 LEU CD1 C 13 22.966 0.3 . 2 . . . . . 51 LEU CD1 . 52197 2 245 . 1 . 1 51 51 LEU N N 15 121.215 0.3 . 1 . . . . . 51 LEU N . 52197 2 246 . 1 . 1 52 52 TRP C C 13 179.973 0.3 . 1 . . . . . 52 TRP C . 52197 2 247 . 1 . 1 52 52 TRP CA C 13 59.758 0.3 . 1 . . . . . 52 TRP CA . 52197 2 248 . 1 . 1 52 52 TRP CB C 13 29.531 0.3 . 1 . . . . . 52 TRP CB . 52197 2 249 . 1 . 1 52 52 TRP N N 15 121.321 0.3 . 1 . . . . . 52 TRP N . 52197 2 250 . 1 . 1 53 53 LEU C C 13 178.803 0.3 . 1 . . . . . 53 LEU C . 52197 2 251 . 1 . 1 53 53 LEU CA C 13 58.788 0.3 . 1 . . . . . 53 LEU CA . 52197 2 252 . 1 . 1 53 53 LEU CB C 13 41.439 0.3 . 1 . . . . . 53 LEU CB . 52197 2 253 . 1 . 1 53 53 LEU CG C 13 26.328 0.3 . 1 . . . . . 53 LEU CG . 52197 2 254 . 1 . 1 53 53 LEU CD1 C 13 23.990 0.3 . 2 . . . . . 53 LEU CD1 . 52197 2 255 . 1 . 1 53 53 LEU N N 15 120.322 0.3 . 1 . . . . . 53 LEU N . 52197 2 256 . 1 . 1 54 54 ILE C C 13 177.403 0.3 . 1 . . . . . 54 ILE C . 52197 2 257 . 1 . 1 54 54 ILE CA C 13 66.01 0.3 . 1 . . . . . 54 ILE CA . 52197 2 258 . 1 . 1 54 54 ILE CB C 13 37.717 0.3 . 1 . . . . . 54 ILE CB . 52197 2 259 . 1 . 1 54 54 ILE CG1 C 13 31.451 0.3 . 1 . . . . . 54 ILE CG1 . 52197 2 260 . 1 . 1 54 54 ILE CG2 C 13 18.224 0.3 . 1 . . . . . 54 ILE CG2 . 52197 2 261 . 1 . 1 54 54 ILE N N 15 118.946 0.3 . 1 . . . . . 54 ILE N . 52197 2 262 . 1 . 1 55 55 TYR C C 13 179.397 0.3 . 1 . . . . . 55 TYR C . 52197 2 263 . 1 . 1 55 55 TYR CA C 13 62.202 0.3 . 1 . . . . . 55 TYR CA . 52197 2 264 . 1 . 1 55 55 TYR CB C 13 38.773 0.3 . 1 . . . . . 55 TYR CB . 52197 2 265 . 1 . 1 55 55 TYR N N 15 120.566 0.3 . 1 . . . . . 55 TYR N . 52197 2 266 . 1 . 1 56 56 GLY C C 13 175.273 0.3 . 1 . . . . . 56 GLY C . 52197 2 267 . 1 . 1 56 56 GLY CA C 13 47.932 0.3 . 1 . . . . . 56 GLY CA . 52197 2 268 . 1 . 1 56 56 GLY N N 15 109.303 0.3 . 1 . . . . . 56 GLY N . 52197 2 269 . 1 . 1 57 57 LEU C C 13 179.714 0.3 . 1 . . . . . 57 LEU C . 52197 2 270 . 1 . 1 57 57 LEU CA C 13 57.993 0.3 . 1 . . . . . 57 LEU CA . 52197 2 271 . 1 . 1 57 57 LEU CB C 13 42.301 0.3 . 1 . . . . . 57 LEU CB . 52197 2 272 . 1 . 1 57 57 LEU CG C 13 27.215 0.3 . 1 . . . . . 57 LEU CG . 52197 2 273 . 1 . 1 57 57 LEU CD1 C 13 24.32 0.3 . 2 . . . . . 57 LEU CD1 . 52197 2 274 . 1 . 1 57 57 LEU N N 15 123.015 0.3 . 1 . . . . . 57 LEU N . 52197 2 275 . 1 . 1 58 58 LEU C C 13 178.398 0.3 . 1 . . . . . 58 LEU C . 52197 2 276 . 1 . 1 58 58 LEU CA C 13 57.066 0.3 . 1 . . . . . 58 LEU CA . 52197 2 277 . 1 . 1 58 58 LEU CB C 13 42.272 0.3 . 1 . . . . . 58 LEU CB . 52197 2 278 . 1 . 1 58 58 LEU CG C 13 26.846 0.3 . 1 . . . . . 58 LEU CG . 52197 2 279 . 1 . 1 58 58 LEU CD1 C 13 23.62 0.3 . 2 . . . . . 58 LEU CD1 . 52197 2 280 . 1 . 1 58 58 LEU CD2 C 13 22.768 0.3 . 2 . . . . . 58 LEU CD2 . 52197 2 281 . 1 . 1 58 58 LEU N N 15 117.496 0.3 . 1 . . . . . 58 LEU N . 52197 2 282 . 1 . 1 59 59 SER C C 13 174.917 0.3 . 1 . . . . . 59 SER C . 52197 2 283 . 1 . 1 59 59 SER CA C 13 58.46 0.3 . 1 . . . . . 59 SER CA . 52197 2 284 . 1 . 1 59 59 SER CB C 13 63.972 0.3 . 1 . . . . . 59 SER CB . 52197 2 285 . 1 . 1 59 59 SER N N 15 111.106 0.3 . 1 . . . . . 59 SER N . 52197 2 286 . 1 . 1 60 60 GLY C C 13 173.701 0.3 . 1 . . . . . 60 GLY C . 52197 2 287 . 1 . 1 60 60 GLY CA C 13 46.848 0.3 . 1 . . . . . 60 GLY CA . 52197 2 288 . 1 . 1 60 60 GLY N N 15 112.398 0.3 . 1 . . . . . 60 GLY N . 52197 2 289 . 1 . 1 61 61 ASP C C 13 174.005 0.3 . 1 . . . . . 61 ASP C . 52197 2 290 . 1 . 1 61 61 ASP CA C 13 53.424 0.3 . 1 . . . . . 61 ASP CA . 52197 2 291 . 1 . 1 61 61 ASP CB C 13 43.175 0.3 . 1 . . . . . 61 ASP CB . 52197 2 292 . 1 . 1 61 61 ASP CG C 13 179.925 0.3 . 1 . . . . . 61 ASP CG . 52197 2 293 . 1 . 1 61 61 ASP N N 15 121.806 0.3 . 1 . . . . . 61 ASP N . 52197 2 294 . 1 . 1 62 62 ALA C C 13 176.156 0.3 . 1 . . . . . 62 ALA C . 52197 2 295 . 1 . 1 62 62 ALA CA C 13 56.739 0.3 . 1 . . . . . 62 ALA CA . 52197 2 296 . 1 . 1 62 62 ALA CB C 13 17.189 0.3 . 1 . . . . . 62 ALA CB . 52197 2 297 . 1 . 1 62 62 ALA N N 15 127.437 0.3 . 1 . . . . . 62 ALA N . 52197 2 298 . 1 . 1 63 63 PRO C C 13 178.762 0.3 . 1 . . . . . 63 PRO C . 52197 2 299 . 1 . 1 63 63 PRO CA C 13 66.895 0.3 . 1 . . . . . 63 PRO CA . 52197 2 300 . 1 . 1 63 63 PRO CB C 13 30.913 0.3 . 1 . . . . . 63 PRO CB . 52197 2 301 . 1 . 1 63 63 PRO CG C 13 28.938 0.3 . 1 . . . . . 63 PRO CG . 52197 2 302 . 1 . 1 63 63 PRO CD C 13 49.672 0.3 . 1 . . . . . 63 PRO CD . 52197 2 303 . 1 . 1 63 63 PRO N N 15 134.657 0.3 . 1 . . . . . 63 PRO N . 52197 2 304 . 1 . 1 64 64 LEU C C 13 180.999 0.3 . 1 . . . . . 64 LEU C . 52197 2 305 . 1 . 1 64 64 LEU CA C 13 58.189 0.3 . 1 . . . . . 64 LEU CA . 52197 2 306 . 1 . 1 64 64 LEU CB C 13 42.102 0.3 . 1 . . . . . 64 LEU CB . 52197 2 307 . 1 . 1 64 64 LEU CG C 13 27.163 0.3 . 1 . . . . . 64 LEU CG . 52197 2 308 . 1 . 1 64 64 LEU N N 15 118.606 0.3 . 1 . . . . . 64 LEU N . 52197 2 309 . 1 . 1 65 65 ILE C C 13 176.797 0.3 . 1 . . . . . 65 ILE C . 52197 2 310 . 1 . 1 65 65 ILE CA C 13 65.451 0.3 . 1 . . . . . 65 ILE CA . 52197 2 311 . 1 . 1 65 65 ILE CB C 13 38.547 0.3 . 1 . . . . . 65 ILE CB . 52197 2 312 . 1 . 1 65 65 ILE CG1 C 13 29.517 0.3 . 1 . . . . . 65 ILE CG1 . 52197 2 313 . 1 . 1 65 65 ILE CG2 C 13 17.764 0.3 . 1 . . . . . 65 ILE CG2 . 52197 2 314 . 1 . 1 65 65 ILE CD1 C 13 15.091 0.3 . 1 . . . . . 65 ILE CD1 . 52197 2 315 . 1 . 1 65 65 ILE N N 15 121.607 0.3 . 1 . . . . . 65 ILE N . 52197 2 316 . 1 . 1 66 66 ALA C C 13 176.637 0.3 . 1 . . . . . 66 ALA C . 52197 2 317 . 1 . 1 66 66 ALA CA C 13 55.642 0.3 . 1 . . . . . 66 ALA CA . 52197 2 318 . 1 . 1 66 66 ALA CB C 13 19.034 0.3 . 1 . . . . . 66 ALA CB . 52197 2 319 . 1 . 1 66 66 ALA N N 15 118.878 0.3 . 1 . . . . . 66 ALA N . 52197 2 320 . 1 . 1 67 67 SER C C 13 176.49 0.3 . 1 . . . . . 67 SER C . 52197 2 321 . 1 . 1 67 67 SER CA C 13 65.446 0.3 . 1 . . . . . 67 SER CA . 52197 2 322 . 1 . 1 67 67 SER CB C 13 68.404 0.3 . 1 . . . . . 67 SER CB . 52197 2 323 . 1 . 1 67 67 SER N N 15 118.736 0.3 . 1 . . . . . 67 SER N . 52197 2 324 . 1 . 1 68 68 ASN C C 13 176.976 0.3 . 1 . . . . . 68 ASN C . 52197 2 325 . 1 . 1 68 68 ASN CA C 13 60.009 0.3 . 1 . . . . . 68 ASN CA . 52197 2 326 . 1 . 1 68 68 ASN CB C 13 37.878 0.3 . 1 . . . . . 68 ASN CB . 52197 2 327 . 1 . 1 68 68 ASN CG C 13 178.294 0.3 . 1 . . . . . 68 ASN CG . 52197 2 328 . 1 . 1 68 68 ASN N N 15 118.733 0.3 . 1 . . . . . 68 ASN N . 52197 2 329 . 1 . 1 68 68 ASN ND2 N 15 119.38 0.3 . 1 . . . . . 68 ASN ND2 . 52197 2 330 . 1 . 1 69 69 ALA C C 13 178.816 0.3 . 1 . . . . . 69 ALA C . 52197 2 331 . 1 . 1 69 69 ALA CA C 13 55.573 0.3 . 1 . . . . . 69 ALA CA . 52197 2 332 . 1 . 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . . 69 ALA CB . 52197 2 333 . 1 . 1 69 69 ALA N N 15 118.768 0.3 . 1 . . . . . 69 ALA N . 52197 2 334 . 1 . 1 70 70 VAL C C 13 180.028 0.3 . 1 . . . . . 70 VAL C . 52197 2 335 . 1 . 1 70 70 VAL CA C 13 66.746 0.3 . 1 . . . . . 70 VAL CA . 52197 2 336 . 1 . 1 70 70 VAL CB C 13 31.602 0.3 . 1 . . . . . 70 VAL CB . 52197 2 337 . 1 . 1 70 70 VAL N N 15 115.465 0.3 . 1 . . . . . 70 VAL N . 52197 2 338 . 1 . 1 71 71 THR C C 13 175.903 0.3 . 1 . . . . . 71 THR C . 52197 2 339 . 1 . 1 71 71 THR CA C 13 65.382 0.3 . 1 . . . . . 71 THR CA . 52197 2 340 . 1 . 1 71 71 THR CB C 13 68.671 0.3 . 1 . . . . . 71 THR CB . 52197 2 341 . 1 . 1 71 71 THR N N 15 116.457 0.3 . 1 . . . . . 71 THR N . 52197 2 342 . 1 . 1 72 72 MET C C 13 177.752 0.3 . 1 . . . . . 72 MET C . 52197 2 343 . 1 . 1 72 72 MET CA C 13 64.485 0.3 . 1 . . . . . 72 MET CA . 52197 2 344 . 1 . 1 72 72 MET CB C 13 31.589 0.3 . 1 . . . . . 72 MET CB . 52197 2 345 . 1 . 1 72 72 MET N N 15 113.547 0.3 . 1 . . . . . 72 MET N . 52197 2 346 . 1 . 1 73 73 LEU C C 13 179.573 0.3 . 1 . . . . . 73 LEU C . 52197 2 347 . 1 . 1 73 73 LEU CA C 13 58.134 0.3 . 1 . . . . . 73 LEU CA . 52197 2 348 . 1 . 1 73 73 LEU CB C 13 42.476 0.3 . 1 . . . . . 73 LEU CB . 52197 2 349 . 1 . 1 73 73 LEU N N 15 122.038 0.3 . 1 . . . . . 73 LEU N . 52197 2 350 . 1 . 1 74 74 LEU C C 13 178.8 0.3 . 1 . . . . . 74 LEU C . 52197 2 351 . 1 . 1 74 74 LEU CA C 13 57.843 0.3 . 1 . . . . . 74 LEU CA . 52197 2 352 . 1 . 1 74 74 LEU CB C 13 41.859 0.3 . 1 . . . . . 74 LEU CB . 52197 2 353 . 1 . 1 74 74 LEU N N 15 117.159 0.3 . 1 . . . . . 74 LEU N . 52197 2 354 . 1 . 1 75 75 ALA C C 13 180.012 0.3 . 1 . . . . . 75 ALA C . 52197 2 355 . 1 . 1 75 75 ALA CA C 13 55.221 0.3 . 1 . . . . . 75 ALA CA . 52197 2 356 . 1 . 1 75 75 ALA CB C 13 17.577 0.3 . 1 . . . . . 75 ALA CB . 52197 2 357 . 1 . 1 75 75 ALA N N 15 121.118 0.3 . 1 . . . . . 75 ALA N . 52197 2 358 . 1 . 1 76 76 GLY C C 13 175.337 0.3 . 1 . . . . . 76 GLY C . 52197 2 359 . 1 . 1 76 76 GLY CA C 13 46.504 0.3 . 1 . . . . . 76 GLY CA . 52197 2 360 . 1 . 1 76 76 GLY N N 15 106.904 0.3 . 1 . . . . . 76 GLY N . 52197 2 361 . 1 . 1 77 77 GLY C C 13 175.154 0.3 . 1 . . . . . 77 GLY C . 52197 2 362 . 1 . 1 77 77 GLY CA C 13 47.861 0.3 . 1 . . . . . 77 GLY CA . 52197 2 363 . 1 . 1 77 77 GLY N N 15 109.262 0.3 . 1 . . . . . 77 GLY N . 52197 2 364 . 1 . 1 78 78 ILE C C 13 176.6 0.3 . 1 . . . . . 78 ILE C . 52197 2 365 . 1 . 1 78 78 ILE CA C 13 66.072 0.3 . 1 . . . . . 78 ILE CA . 52197 2 366 . 1 . 1 78 78 ILE CB C 13 37.475 0.3 . 1 . . . . . 78 ILE CB . 52197 2 367 . 1 . 1 78 78 ILE CG1 C 13 31.040 0.3 . 1 . . . . . 78 ILE CG1 . 52197 2 368 . 1 . 1 78 78 ILE CG2 C 13 16.530 0.3 . 1 . . . . . 78 ILE CG2 . 52197 2 369 . 1 . 1 78 78 ILE CD1 C 13 15.784 0.3 . 1 . . . . . 78 ILE CD1 . 52197 2 370 . 1 . 1 78 78 ILE N N 15 122.264 0.3 . 1 . . . . . 78 ILE N . 52197 2 371 . 1 . 1 79 79 LEU C C 13 178.769 0.3 . 1 . . . . . 79 LEU C . 52197 2 372 . 1 . 1 79 79 LEU CA C 13 58.586 0.3 . 1 . . . . . 79 LEU CA . 52197 2 373 . 1 . 1 79 79 LEU CB C 13 41.226 0.3 . 1 . . . . . 79 LEU CB . 52197 2 374 . 1 . 1 79 79 LEU N N 15 120.45 0.3 . 1 . . . . . 79 LEU N . 52197 2 375 . 1 . 1 80 80 VAL C C 13 178.12 0.3 . 1 . . . . . 80 VAL C . 52197 2 376 . 1 . 1 80 80 VAL CA C 13 66.045 0.3 . 1 . . . . . 80 VAL CA . 52197 2 377 . 1 . 1 80 80 VAL CB C 13 31.483 0.3 . 1 . . . . . 80 VAL CB . 52197 2 378 . 1 . 1 80 80 VAL N N 15 118.927 0.3 . 1 . . . . . 80 VAL N . 52197 2 379 . 1 . 1 81 81 MET C C 13 179.719 0.3 . 1 . . . . . 81 MET C . 52197 2 380 . 1 . 1 81 81 MET CA C 13 58.1 0.3 . 1 . . . . . 81 MET CA . 52197 2 381 . 1 . 1 81 81 MET CB C 13 31.719 0.3 . 1 . . . . . 81 MET CB . 52197 2 382 . 1 . 1 81 81 MET CG C 13 29.432 0.3 . 1 . . . . . 81 MET CG . 52197 2 383 . 1 . 1 81 81 MET N N 15 122.015 0.3 . 1 . . . . . 81 MET N . 52197 2 384 . 1 . 1 82 82 LYS C C 13 179.726 0.3 . 1 . . . . . 82 LYS C . 52197 2 385 . 1 . 1 82 82 LYS CA C 13 57.979 0.3 . 1 . . . . . 82 LYS CA . 52197 2 386 . 1 . 1 82 82 LYS CB C 13 26.38 0.3 . 1 . . . . . 82 LYS CB . 52197 2 387 . 1 . 1 82 82 LYS N N 15 117.125 0.3 . 1 . . . . . 82 LYS N . 52197 2 388 . 1 . 1 83 83 LEU C C 13 178.004 0.3 . 1 . . . . . 83 LEU C . 52197 2 389 . 1 . 1 83 83 LEU CA C 13 58.595 0.3 . 1 . . . . . 83 LEU CA . 52197 2 390 . 1 . 1 83 83 LEU CB C 13 42.845 0.3 . 1 . . . . . 83 LEU CB . 52197 2 391 . 1 . 1 83 83 LEU N N 15 120.582 0.3 . 1 . . . . . 83 LEU N . 52197 2 392 . 1 . 1 84 84 ARG C C 13 178.78 0.3 . 1 . . . . . 84 ARG C . 52197 2 393 . 1 . 1 84 84 ARG CA C 13 57.311 0.3 . 1 . . . . . 84 ARG CA . 52197 2 394 . 1 . 1 84 84 ARG CB C 13 31.237 0.3 . 1 . . . . . 84 ARG CB . 52197 2 395 . 1 . 1 84 84 ARG N N 15 117.054 0.3 . 1 . . . . . 84 ARG N . 52197 2 stop_ save_